# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T15:39:03+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2006 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1101142","6.3589","0.0004","10.7795","0.0006","10.3836","0.0006","90","","90.019","0.001","90","","711.75","0.07","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F2 Li5 O8 P2 V -","- F2 Li5 O8 P2 V -","- F8 Li20 O32 P8 V4 -","4","1","","Yin, S.-C.; Herle, P. Subramanya; Higgins, A.; Taylor, N. J.; Makimura, Y.; Nazar, L. F.","Dimensional Reduction: Synthesis and Structure of Layered Li~5~M(PO~4~)~2~F~2~ (M = V, Cr)","Chemistry of Materials","2006","18","7","1745","1752","10.1021/cm0513738","","","0.71073","MoKα","","0.0422","0.0375","","","0.0732","0.0741","","","","","","1.683","","","","has coordinates","178242","2020-10-21","18:00:00",""
"1101148","10.68004","0.00011","11.28574","0.00011","6.48521","0.00006","90","","90","","90","","781.68","0.02","295","","295","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 Ca4 Na O9 -","- B3 Ca4 Na O9 -","- B12 Ca16 Na4 O36 -","4","0.5","","Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun","Structure Determination and Relative Properties of Novel Non-centrosymmetric Borates MM'~4~(BO~3~)~3~ (M=Na, M'=Ca and M=K, M'=Ca, Sr)","Inorganic Chemistry","2006","45","","3042","3047","10.1021/ic051494+","","","","","","","","","","","","","","","","","","","","","has coordinates","208232","2020-10-21","18:00:00",""
"1101149","10.63455","0.0001","11.51705","0.00011","6.51942","0.00006","90","","90","","90","","798.49","0.02","295","","295","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 Ca4 K O9 -","- B3 Ca4 K O9 -","- B12 Ca16 K4 O36 -","4","0.5","","Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun","Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, M' = Ca and M = K, M' = Ca, Sr)","Inorganic Chemistry","2006","45","","3042","3047","10.1021/ic051494+","powder diffraction","","","","","","","","","","","","0.0693","","","","","","","","has coordinates","208232","2020-10-21","18:00:00",""
"1101150","11.03843","0.00008","11.98974","0.00009","6.88446","0.00005","90","","90","","90","","911.14","0.02","295","","295","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 K O9 Sr4 -","- B3 K O9 Sr4 -","- B12 K4 O36 Sr16 -","4","0.5","","Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun","Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, N = Ca and M = K, M' = Ca, Sr)","Inorganic Chemistry","2006","45","","3042","3047","10.1021/ic051494+","powder diffraction","","","","","","","","","","","","0.057","","","","","","","","has coordinates","208232","2020-10-21","18:00:00",""
"1101151","11.8465","0.0012","14.2914","0.0014","20.564","0.002","90","","96.596","0.002","90","","3458.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H88 Mn12 O42 -","- C44 H88 Mn12 O42 -","- C88 H176 Mn24 O84 -","2","0.5","","Yangguang Li; Wolfgang Wernsdorfer; Rodolphe Clerac; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell","New Valence-Sandwich [MnII4MnIII4MnII4] Aggregate Showing Single-Molecule Magnet Behavior","Inorganic Chemistry","2006","45","6","2376","2378","10.1021/ic051819m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1101152","7.0989","0.0007","7.0989","0.0007","4.1353","0.0005","90","","90","","90","","208.4","0.04","293","2","293","2","","","","","","","","2","P 4/m b m","-P 4 2ab","127","Calcium tetraboride","Calcium tetraboride","","- B4 Ca -","- B3.99 Ca -","- B15.96 Ca4 -","4","0.25","","Schmitt, Ruth; Blaschkowski, Björn; Eichele, Klaus; Meyer, H.-Jürgen","Calcium Tetraboride ‒ Does It Exist? Synthesis and Properties of a Carbon-Doped Calcium Tetraboride That Is Isotypic with the Known Rare Earth Tetraborides","Inorganic Chemistry","2006","45","7","3067","3073","10.1021/ic0518430","","","0.71073","MoKα","","0.0264","0.0231","","","0.0572","0.0583","","","","","","1.114","","","","has coordinates","174546","2020-10-21","18:00:00",""
"1101153","11.7691","0.0015","11.7691","0.0015","12.112","0.002","90","","90","","120","","1452.8","0.4","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- B9 Co3 H10 Na5 O39 P6 -","- B9 Co3 Na5 O39 P6 -","- B18 Co6 Na10 O78 P12 -","2","0.166667","","Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren","Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)","Inorganic Chemistry","2006","45","9","3588","3593","10.1021/ic051916f","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101154","11.9683","0.0005","11.9683","0.0005","12.1303","0.0006","90","","90","","120","","1504.76","0.12","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- B9 H10 Mn3 Na5 O39 P6 -","- B9 Mn3 Na5 O39 P6 -","- B18 Mn6 Na10 O78 P12 -","2","0.166667","","Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren","Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)","Inorganic Chemistry","2006","45","9","3588","3593","10.1021/ic051916f","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101155","11.7171","0.0005","11.7171","0.0005","12.0759","0.0007","90","","90","","120","","1435.79","0.12","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- B9 H10 Na5 Ni3 O39 P6 -","- B9 Na5 Ni3 O39 P6 -","- B18 Na10 Ni6 O78 P12 -","2","0.166667","","Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren","Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)","Inorganic Chemistry","2006","45","9","3588","3593","10.1021/ic051916f","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101163","6.1944","0.0012","6.3315","0.0013","13.804","0.003","85.34","0.03","85.18","0.03","89.82","0.03","537.67","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba F Sb Se2 -","- Ba F Sb Se2 -","- Ba4 F4 Sb4 Se8 -","4","2","","Kabbour, Houria; Cario, Laurent","Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks","Inorganic Chemistry","2006","45","","2713","2717","10.1021/ic051969x","","","","","","","","","","","","","","","","","","","","","has coordinates","174547","2020-10-21","18:00:00",""
"1101164","4.19264","0.0001","4.19264","0.0001","14.2145","0.0004","90","","90","","90","","249.866","0.011","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","?","- F2 Sb2 Se4 Sr2 -","- F2 Sb2 Se4 Sr2 -","","","","Kabbour, Houria; Cario, Laurent","Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks","Inorganic Chemistry","2006","45","","2713","2717","10.1021/ic051969x","powder diffraction","","","","","","","","","","","","4.792","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101171","14.297","0.003","17.167","0.003","19.49","0.004","82.95","0.03","74.68","0.03","78.4","0.03","4507.3","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H50.5 Nd3 O85.75 P2 W17 -","- Nd3 O85.75 P2 W17 -","- Nd6 O171.5 P4 W34 -","2","1","","Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying","New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations","Inorganic Chemistry","2006","45","5","2055","2060","10.1021/ic0515857","","","0.71073","MoKα","","0.0917","0.0735","","","0.1848","0.1988","","","","","","1.041","","","","has coordinates","178225","2020-10-21","18:00:00",""
"1101172","12.904","0.003","12.951","0.003","25.514","0.005","88.24","0.03","76.11","0.03","64.66","0.03","3728.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H47 N4 Nd2 O74.5 P2 W17 -","- C20 H20 N4 Nd2 O74.5 P2 W17 -","- C40 H40 N8 Nd4 O149 P4 W34 -","2","1","","Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying","New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations","Inorganic Chemistry","2006","45","5","2055","2060","10.1021/ic0515857","","","0.71073","MoKα","","0.0611","0.0457","","","0.0892","0.095","","","","","","1.039","","","","has coordinates","178225","2020-10-21","18:00:00",""
"1101173","12.97","0.003","13.015","0.003","25.484","0.005","88.25","0.03","76.11","0.03","64.29","0.03","3749.1","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H47 La2 N4 O74.5 P2 W17 -","- C20 H20 La2 N4 O74.5 P2 W17 -","- C40 H40 La4 N8 O149 P4 W34 -","2","1","","Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying","New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations","Inorganic Chemistry","2006","45","5","2055","2060","10.1021/ic0515857","","","0.71073","MoKα","","0.0656","0.05","","","0.1103","0.1173","","","","","","1.033","","","","has coordinates","178225","2020-10-21","18:00:00",""
"1101174","12.875","0.003","12.914","0.003","25.503","0.005","88.24","0.03","76.29","0.03","64.97","0.03","3721.1","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H48 Eu2 N4 O75 P2 W17 -","- C20 H24 Eu2 N4 O75 P2 W17 -","- C40 H48 Eu4 N8 O150 P4 W34 -","2","1","","Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying","New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations","Inorganic Chemistry","2006","45","5","2055","2060","10.1021/ic0515857","","","0.71073","MoKα","","0.0621","0.0452","","","0.0862","0.0921","","","","","","1.031","","","","has coordinates","178225","2020-10-21","18:00:00",""
"1101175","7.467","0.0005","13.8824","0.0009","9.3289","0.0006","90","","90","","90","","967.03","0.11","90","2","90","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C0.5 H2 O2.5 P0.5 V0.5 -","- C0.5 H2 O2.5 P0.5 V0.5 -","- C8 H32 O40 P8 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101176","7.4265","0.0013","9.3477","0.0016","16.793","0.003","90","","90","","90","","1165.8","0.3","90","2","90","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C0.75 H3 O2.75 P0.5 V0.5 -","- C0.75 H1.5 O2.75 P0.5 V0.5 -","- C12 H24 O44 P8 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101177","7.4362","0.0005","19.1491","0.0012","9.3446","0.0006","90","","90","","90","","1330.64","0.15","90","2","90","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C H4 O3 P0.5 V0.5 -","- C H2.5 O3 P0.5 V0.5 -","- C16 H40 O48 P8 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101178","7.433","0.0004","9.3673","0.0005","21.8357","0.0011","90","","90","","90","","1520.36","0.14","90","2","90","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C1.25 H4.5 O3 P0.5 V0.5 -","- C1.25 H3 O3 P0.5 V0.5 -","- C20 H48 O48 P8 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101179","14.0943","0.0012","5.2746","0.0004","10.166","0.0008","90","","94.606","0.002","90","","753.32","0.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 O6 P V -","- C3 H10 O6 P V -","- C12 H40 O24 P4 V4 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101180","8.9297","0.0003","8.9297","0.0003","34.847","0.002","90","","90","","90","","2778.6","0.2","90","2","90","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C4.5 H10 O3.5 P V0.5 -","- C4.5 H10 O3.5 P V0.5 -","- C72 H160 O56 P16 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101181","14.5794","0.0011","10.2424","0.0008","18.7815","0.0014","90","","98.837","0.001","90","","2771.3","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H17.5 N O11.75 P2 V2 -","- C4 H12 N O11.75 P2 V2 -","- C32 H96 N8 O94 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101182","15.5527","0.0007","10.0841","0.0005","18.7813","0.0008","90","","104.423","0.001","90","","2852.7","0.2","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.5 H16 N O10.5 P2 V2 -","- C4.5 H13 N O10.5 P2 V2 -","- C36 H104 N8 O84 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101183","15.2003","0.0011","10.2122","0.0007","18.5903","0.0013","90","","103.53","0.001","90","","2805.7","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H16.5 N O10.25 P2 V2 -","- C5 H14 N O10.25 P2 V2 -","- C40 H112 N8 O82 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101184","15.712","0.001","10.03","0.001","18.656","0.002","90","","103.328","0.002","90","","2861","0.5","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5.5 H16 N O9.5 P2 V2 -","- C5.5 H15 N O9.5 P2 V2 -","- C44 H120 N8 O76 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101185","15.6403","0.0011","10.2112","0.0007","18.6795","0.0014","90","","105.484","0.001","90","","2875","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H16.5 N O9.25 P2 V2 -","- C6 H16 N O9.25 P2 V2 -","- C48 H128 N8 O74 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101186","15.822","0.0015","10.0614","0.0009","18.6103","0.0017","90","","104.292","0.002","90","","2870.9","0.5","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6.5 H17 N O9 P2 V2 -","- C6.5 H17 N O9 P2 V2 -","- C52 H136 N8 O72 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101187","15.2345","0.001","10.1817","0.0006","18.6968","0.0012","90","","103.524","0.001","90","","2819.7","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.5 H12.75 N O9 P2 V2 -","- C4.5 H7 N O9 P2 V2 -","- C36 H56 N8 O72 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101188","15.003","0.003","10.126","0.002","18.604","0.004","90","","101","0.03","90","","2774.3","1","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 N O10.5 P2 V2 -","- C4 H10 N O10.5 P2 V2 -","- C32 H80 N8 O84 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101189","15.0877","0.0009","10.2027","0.0006","18.6376","0.0011","90","","102.521","0.001","90","","2800.7","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H15 N O9.5 P2 V2 -","- C5 H14 N O9.5 P2 V2 -","- C40 H112 N8 O76 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101190","15.4228","0.0009","10.2047","0.0006","18.7078","0.0011","90","","103.835","0.001","90","","2858.9","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H17 N O9 P2 V2 -","- C6 H17 N O9 P2 V2 -","- C48 H136 N8 O72 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1101191","15.2768","0.0008","10.2216","0.0006","18.6279","0.001","90","","103.252","0.001","90","","2831.4","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H19.5 N O9 P2 V2 -","- C7 H19.5 N O9 P2 V2 -","- C56 H156 N8 O72 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101192","30.947","0.002","10.6168","0.0008","18.604","0.0014","90","","90","","90","","6112.5","0.8","90","2","90","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H32.75 N2 O18.75 P4 V4 -","- C12 H32 N2 O18.75 P4 V4 -","- C96 H256 N16 O150 P32 V32 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","175229","2020-10-21","18:00:00",""
"1101193","12.2895","0.0015","13.4657","0.0016","6.0846","0.0007","90","","103.401","0.002","90","","979.5","0.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O7 P2 V -","- C4 H11 N O7 P2 V -","- C16 H44 N4 O28 P8 V4 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101194","14.6046","0.001","13.4811","0.0009","6.0678","0.0004","90","","98.73","0.001","90","","1180.82","0.14","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H15 N O7 P2 V -","- C6 H15 N O7 P2 V -","- C24 H60 N4 O28 P8 V4 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101195","16.941","0.003","13.47","0.002","6.0553","0.001","90","","95.026","0.004","90","","1376.5","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H19 N O7 P2 V -","- C8 H19 N O7 P2 V -","- C32 H76 N4 O28 P8 V4 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101196","16.3248","0.0015","13.3361","0.0012","10.1019","0.0009","90","","89.994","0.002","90","","2199.3","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H24 N2 O15 P4 V3 -","- C9 H24 N2 O15 P4 V3 -","- C36 H96 N8 O60 P16 V12 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101219","29.166","","38.497","","37.405","","90","","90","","90","","41998.1","","293","2","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C258 H579 N17 O156 Si4 Ti8 W40 -","- C247.01 N17 O156 Si4 Ti8 W40 -","- C988.04 N68 O624 Si16 Ti32 W160 -","4","1","","Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka","Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate","Inorganic Chemistry","2006","45","5","2347","2356","10.1021/ic052179q","","","0.71073","MoKα","","","0.0444","","","","0.1266","","","","","","1.006","","","","has coordinates","178223","2020-10-21","18:00:00",""
"1101220","33.2107","0.0003","35.4445","0.0004","85.0187","0.0008","90","","90","","90","","100079","1.7","296.1","","","","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C100 H212 K8 O128 S2 Si2 Ti4 W20 -","- C100 K8 O128 S2 Si2 Ti4 W20 -","- C1600 K128 O2048 S32 Si32 Ti64 W320 -","16","0.5","","Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka","Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate","Inorganic Chemistry","2006","45","5","2347","2356","10.1021/ic052179q","","","0.71069","MoKα","","","0.0546","","","","0.0538","","","","","","8.293","","","","has coordinates","178223","2020-10-21","18:00:00",""
"1101221","45.4319","0.0007","17.8884","0.0004","15.8179","0.0003","90","","96.328","0.0008","90","","12776.9","0.4","296.1","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C98 H200 K8 O126 Si2 Ti4 W20 -","- C98 K8 O126 Si2 Ti4 W20 -","- C196 K16 O252 Si4 Ti8 W40 -","2","0.25","","Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka","Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate","Inorganic Chemistry","2006","45","5","2347","2356","10.1021/ic052179q","","","0.71069","MoKα","","","0.0602","","","","0.0783","","","","","","11.43","","","","has coordinates","178223","2020-10-21","18:00:00",""
"1101223","46.324","0.005","42.268","0.004","41.896","0.004","90","","112.549","0.002","90","","75763","13","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- H1262 K43 Mo214 Na11 O1404 S12 V34 -","- K21 Mo213.6 O1002.72 S12 V30 -","- K42 Mo427.2 O2005.44 S24 V60 -","2","0.25","","Botar, Bogdan; Kögerler, Paul; Hill, Craig L.","A Nanoring‒Nanosphere Molecule, {Mo~214~V~30~}: Pushing the Boundaries of Controllable Inorganic Structural Organization at the Molecular Level","Journal of the American Chemical Society","2006","128","16","5336","5337","10.1021/ja060886s","","","0.71073","MoKα","","0.1577","0.0998","","","0.2731","0.3412","","","","","","1.044","","","","has coordinates","178224","2020-10-21","18:00:00",""
"1101224","7.3373","0.001","11.2668","0.0016","8.2369","0.0018","90","","97.387","0.003","90","","675.3","0.2","293","0.2","293","0.2","","","","","","","","4","I 1 2 1","I 2y","5","","Sodium molybdenum tellurium oxide","","- Mo3 Na2 O16 Te3 -","- Mo3 Na2 O16 Te3 -","- Mo6 Na4 O32 Te6 -","2","0.5","","Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv","Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties","Chemistry of Materials","2006","18","8","2070","2074","10.1021/cm052614e","","","0.71073","MoKα","","0.0337","0.0331","","","0.0886","0.0891","","","","","","1.081","","","","has coordinates","178244","2020-10-21","18:00:00",""
"1500007","18.6201","0.001","12.0872","0.0006","24.0877","0.0012","90","","90","","90","","5421.3","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H32 Br4 Cd Cl4 Co2 N8 -","- C8 H32 Br4 Cd Cl4 Co2 N8 -","- C64 H256 Br32 Cd8 Cl32 Co16 N64 -","8","1","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós","Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~","Journal of Molecular Structure","2006","794","","341","347","10.1016/j.molstruc.2006.02.053","","","0.71073","MoKα","","0.0973","0.0727","","","0.2214","0.2409","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500008","12.8349","0.0009","18.7451","0.0013","16.002","0.0011","90","","109.23","0.001","90","","3635.1","0.4","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H112 Cl7 Co6 N24 O26 P5 -","- C24 H96 Cl7 Co6 N24 O26 P5 -","- C48 H192 Cl14 Co12 N48 O52 P10 -","2","1","","Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas","A trinuclear cobalt(III) phosphate complex with a novel molecular structure: Synthesis and crystal structure of {[Co(en)~2~]~3~(PO~4~)(HPO~4~)}~2~(H~2~PO~4~)Cl~7~.6H~2~O","Inorganic Chemistry Communications","2006","9","","782","784","10.1016/j.inoche.2006.04.001","","","0.71073","MoKα","","0.0457","0.0406","","","0.095","0.0975","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500009","10.2635","0.0018","9.048","0.0015","9.752","0.002","90","","104.493","0.012","90","","876.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Co N7 O8 -","- C8 H26 Co N7 O8 -","- C16 H52 Co2 N14 O16 -","2","0.5","","Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós","Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl","Journal of Molecular Structure","2006","784","","222","227","10.1016/j.molstruc.2005.09.008","","","0.71073","MoKα","","0.0512","0.0408","","","0.1096","0.1184","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500010","6.1926","0.0007","18.248","0.003","6.2335","0.0006","90","","90.078","0.007","90","","704.41","0.16","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H18 Co N7 O8 -","- C4 H18 Co N7 O8 -","- C8 H36 Co2 N14 O16 -","2","0.5","","Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós","Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl","Journal of Molecular Structure","2006","784","","222","227","10.1016/j.molstruc.2005.09.008","","","0.71073","MoKα","","0.0999","0.0868","","","0.2891","0.2981","","","","","","1.236","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500023","36.332","0.002","9.1289","0.0005","19.2431","0.0011","90","","103.487","0.001","90","","6206.4","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H41 Co N4 O8 -","- C28 H41 Co N4 O8 -","- C224 H328 Co8 N32 O64 -","8","1","","Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas","First X-ray structure of a cis-isomer of cobalt(III) aromatic carboxylate: Synthesis, and characterization of [cis-Co(en)~2~(C~8~H~7~O~2~)~2~](C~8~H~7~O~2~).2H~2~O, where C~8~H~7~O~2~ = p-methylbenzoate","Inorganic Chemistry Communications","2006","9","","1075","1078","10.1016/j.inoche.2006.07.002","","","0.71073","MoKα","","0.0628","0.0497","","","0.1321","0.1412","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501475","4.0055","0.0009","3.9897","0.0008","4.0426","0.0008","90","","90.19","0.02","90","","64.6","0.02","","","","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501476","3.996","0.0001","3.996","0.0001","4.0492","0.0002","90","","90","","90","","64.658","0.004","","","300","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501477","3.9948","0.0001","3.9948","0.0001","4.0513","0.0002","90","","90","","90","","64.652","0.004","","","275","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501478","3.9938","0.0001","3.9938","0.0001","4.0532","0.0002","90","","90","","90","","64.65","0.004","","","245","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501479","4.001","0.0001","4.001","0.0001","4.0411","0.0002","90","","90","","90","","64.69","0.004","","","350","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501480","4.0024","0.0001","4.0024","0.0001","4.0393","0.0001","90","","90","","90","","64.706","0.003","","","375","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501481","4.0083","0.0002","4.0083","0.0002","4.029","0.0002","90","","90","","90","","64.732","0.006","","","430","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501482","4.0108","0.0001","4.0108","0.0001","4.0237","0.0002","90","","90","","90","","64.727","0.004","","","445","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501483","4.0054","0.0006","3.9896","0.0005","4.0452","0.0006","90","","90.23","0.01","90","","64.642","0.016","","","200","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501484","4.005","0.0002","3.9851","0.0002","4.0475","0.0002","90","","90.241","0.004","90","","64.599","0.006","","","150","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501485","4.0022","0.0002","3.9838","0.0002","4.0503","0.0002","90","","90.252","0.004","90","","64.577","0.006","","","80","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501486","4.0152","0.0001","4.0152","0.0001","4.0152","0.0001","90","","90","","90","","64.732","0.003","","","480","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501487","4.0157","0.0001","4.0157","0.0001","4.0157","0.0001","90","","90","","90","","64.757","0.003","","","530","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501488","4.0191","0.0001","4.0191","0.0001","4.0191","0.0001","90","","90","","90","","64.921","0.003","","","480","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501489","4.0189","0.0001","4.0189","0.0001","4.0189","0.0001","90","","90","","90","","64.911","0.003","","","455","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501490","4.0159","0.0001","4.0159","0.0001","4.0249","0.0002","90","","90","","90","","64.911","0.004","","","430","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501491","4.0134","0.0001","4.0134","0.0001","4.0301","0.0002","90","","90","","90","","64.914","0.004","","","400","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501492","4.0121","0.0001","4.0121","0.0001","4.0322","0.0002","90","","90","","90","","64.906","0.004","","","390","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501493","4.019","0.0002","4.0078","0.0002","4.0276","0.0002","90","","90.128","0.006","90","","64.874","0.006","","","340","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501494","4.02","0.0003","4.0046","0.0002","4.0281","0.0003","90","","90.178","0.005","90","","64.846","0.008","","","300","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501495","4.0204","0.0004","3.9997","0.0002","4.0289","0.0004","90","","90.241","0.004","90","","64.786","0.01","","","200","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501496","4.022","0.0004","3.9946","0.0002","4.0314","0.0004","90","","90.314","0.005","90","","64.769","0.01","","","80","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501497","4.0215","0.0001","4.0215","0.0001","4.0215","0.0001","90","","90","","90","","65.038","0.003","","","550","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501498","4.0211","0.0001","4.0211","0.0001","4.0211","0.0001","90","","90","","90","","65.018","0.003","","","500","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501499","4.0206","0.0001","4.0206","0.0001","4.0206","0.0001","90","","90","","90","","64.994","0.003","","","450","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501500","4.0166","0.0001","4.0166","0.0001","4.0287","0.0002","90","","90","","90","","64.995","0.004","","","415","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501501","5.6968","0.0003","5.682","0.0004","4.0132","0.0003","90","","90.125","0.008","90","","129.904","0.015","","","300","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.474 Nb0.946 O6 Pb2 Ti0.58 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501502","5.7025","0.0003","5.6778","0.0003","4.0087","0.0002","90","","90.24","0.006","90","","129.791","0.012","","","80","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.474 Nb0.946 O6 Pb2 Ti0.58 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501503","5.7022","0.0003","5.6815","0.0004","4.0167","0.0003","90","","90.248","0.005","90","","130.128","0.015","","","80","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501504","5.6987","0.0005","5.687","0.006","4.0211","0.0004","90","","90.135","0.008","90","","130.32","0.14","","","300","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501505","5.6969","0.0006","5.6889","0.0005","4.0215","0.0001","90","","90.109","0.001","90","","130.333","0.018","","","350","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501506","5.6952","0.0006","5.6903","0.0008","4.022","0.0001","90","","90.083","0.001","90","","130.34","0.02","","","375","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501507","4.0242","0.0001","4.0242","0.0001","4.0242","0.0001","90","","90","","90","","65.169","0.003","","","400","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501508","4.0244","0.0001","4.0244","0.0001","4.0244","0.0001","90","","90","","90","","65.178","0.003","","","450","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501509","4.02545","0.00001","4.02545","0.00001","4.02545","0.00001","90","","90","","90","","65.2294","0.0003","","","500","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501603","5.8749","0.0008","12.036","0.005","13.084","0.005","105.66","0.03","95.65","0.03","102.12","0.02","859.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Cl2 N10 O -","- C10 H20 Cl2 N10 O -","- C20 H40 Cl4 N20 O2 -","2","1","","Olivier Lebel; Thierry Maris; James D. Wuest","Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts","Can J. Chem","2006","84","","1426","1433","10.1139/v06-115","","","1.54178","CuKα","","0.0463","0.0456","","","0.1109","0.111","","","","","","1.105","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501604","9.3537","0.0003","9.6015","0.0003","11.4402","0.0004","82.983","0.002","71.193","0.002","73.759","0.002","933.19","0.05","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C10 H24 Cl2 N10 O3 -","- C10 H24 Cl2 N10 O3 -","- C20 H48 Cl4 N20 O6 -","2","1","","Olivier Lebel; Thierry Maris; James D. Wuest","Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts","Can J. Chem","2006","84","","1426","1433","10.1139/v06-115","","","1.54178","CuKα","","0.0818","0.0745","","","0.2142","0.2351","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501605","10.0311","0.0016","10.882","0.0018","21.127","0.003","88.09","0.007","87.28","0.007","62.735","0.006","2047.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N10 O -","- C10 H18 N10 O -","- C60 H108 N60 O6 -","6","3","","Olivier Lebel; Thierry Maris; James D. Wuest","Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts","Can J. Chem","2006","84","","1426","1433","10.1139/v06-115","","","1.54178","CuKα","","0.1294","0.06","","","0.0903","0.1012","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501606","9.9072","0.0003","10.1769","0.0003","11.0195","0.0005","77.297","0.002","67.906","0.002","65.826","0.002","936.32","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H24 N10 O5 -","- C13 H24 N10 O5 -","- C26 H48 N20 O10 -","2","1","","Olivier Lebel; Thierry Maris; James D. Wuest","Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts","Can J. Chem","2006","84","","1426","1433","10.1139/v06-115","","","1.54178","CuKα","","0.0699","0.0487","","","0.1277","0.1357","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505674","4.95","0.001","5.1931","0.0009","33.2","0.007","91.997","0.01","92.826","0.011","90.042","0.013","851.9","0.3","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H21 N O6 -","- C17 H21 N O6 -","- C34 H42 N2 O12 -","2","2","","Gerhardt, Warren W.; Noga, David E.; Hardcastle, Kenneth I.; García, Andrés J; Collard, David M.; Weck, Marcus","Functional lactide monomers: methodology and polymerization.","Biomacromolecules","2006","7","6","1735","1742","10.1021/bm060024j","","","1.54178","CuKα","","0.0856","0.0775","","","0.1973","0.2059","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505675","8.9778","0.0008","5.9703","0.0008","12.6038","0.0013","90","","107.981","0.005","90","","642.57","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","","Gerhardt, Warren W.; Noga, David E.; Hardcastle, Kenneth I.; García, Andrés J; Collard, David M.; Weck, Marcus","Functional lactide monomers: methodology and polymerization.","Biomacromolecules","2006","7","6","1735","1742","10.1021/bm060024j","","","1.54178","CuKα","","0.0434","0.0363","","","0.0633","0.0659","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505676","4.945","0.001","10.887","0.002","18.475","0.004","90","","96.32","0.03","90","","988.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C40 H32 N8 O16 -","4","1","","Harju, Kirsi; Kylänlahti, Irene; Paananen, Timo; Polamo, Mika; Nielsen, John; Yli-Kauhaluoma, Jari","Solid-Phase Synthesis of Pyrazolopyridines from Polymer-Bound Alkyne and Azomethine Imines","Journal of Combinatorial Chemistry","2006","8","3","344","","10.1021/cc050138j","","","0.71073","MoKα","","0.0885","0.0641","","","0.1878","0.1983","","","","","","1.178","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505677","5.888","0.0012","10.699","0.003","17.013","0.002","90","","90","","90","","1071.7","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Harju, Kirsi; Kylänlahti, Irene; Paananen, Timo; Polamo, Mika; Nielsen, John; Yli-Kauhaluoma, Jari","Solid-Phase Synthesis of Pyrazolopyridines from Polymer-Bound Alkyne and Azomethine Imines","Journal of Combinatorial Chemistry","2006","8","3","344","","10.1021/cc050138j","","","0.71073","MoKα","","0.0461","0.0363","","","0.0844","0.0874","","","","","","1.139","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505678","11.654","0.005","5.471","0.002","26.609","0.01","90","","102.416","0.006","90","","1656.9","1.1","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 F N3 O2 -","- C21 H16 F N3 O2 -","- C84 H64 F4 N12 O8 -","4","1","","Nie, Aihua; Huang, Ziwei","Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives","Journal of Combinatorial Chemistry","2006","8","5","655","","10.1021/cc060085l","","","0.71073","MoKα","","0.0695","0.0505","","","0.1191","0.1279","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505679","9.705","0.001","5.644","0.0006","15.603","0.0016","90","","98.293","0.002","90","","845.72","0.15","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H16 F N3 O2 -","- C21 H16 F N3 O2 -","- C42 H32 F2 N6 O4 -","2","1","","Nie, Aihua; Huang, Ziwei","Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives","Journal of Combinatorial Chemistry","2006","8","5","655","","10.1021/cc060085l","","","0.71073","MoKα","","0.0285","0.0284","","","0.0723","0.0723","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505680","8.8996","0.0004","12.0769","0.0004","10.5206","0.0003","90","","90.695","0.002","90","","1130.67","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O7 -","- C23 H30 O7 -","- C46 H60 O14 -","2","1","","Luo, Weiming; Yu, Qian-Sheng; Kulkarni, Santosh S.; Parrish, Damon A.; Holloway, Harold W.; Tweedie, David; Shafferman, Avigdor; Lahiri, Debomoy K.; Brossi, Arnold; Greig, Nigel H.","Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine.","Journal of medicinal chemistry","2006","49","7","2174","2185","10.1021/jm050578p","","","1.54178","CuKα","","0.0548","0.0496","","","0.1202","0.1245","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505681","11.054","0.007","20.276","0.012","21.194","0.013","90","","90","","90","","4750","5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H58 Br2 N2 O15 -","- C45 H54 Br2 N2 O15 -","- C180 H216 Br8 N8 O60 -","4","1","","Jiang, Yi; Alcaraz, Ana A.; Chen, Jian-Min; Kobayashi, Hisayoshi; Lu, Yang J.; Snyder, James P.","Diastereomers of dibromo-7-epi-10-deacetylcephalomannine: crowded and cytotoxic taxanes exhibit halogen bonds.","Journal of medicinal chemistry","2006","49","6","1891","1899","10.1021/jm0509243","","","0.71073","MoKα","","0.1251","0.0528","","","0.1005","0.1229","","","","","","0.923","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505682","10.218","0.0019","12.489","0.002","12.62","0.002","106.208","0.003","112.512","0.003","104.97","0.003","1302","0.4","128","2","128","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H25 Au N O5 P S -","- C27 H25 Au N O5 P S -","- C54 H50 Au2 N2 O10 P2 S2 -","2","1","","Gunatilleke, Shamila S.; Barrios, Amy M.","Inhibition of lysosomal cysteine proteases by a series of Au(I) complexes: a detailed mechanistic investigation.","Journal of medicinal chemistry","2006","49","13","3933","3937","10.1021/jm060158f","","x-ray","0.71073","MoKα","","0.0533","0.0419","","","0.0866","0.0897","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505683","7.8903","0.0006","9.5995","0.0003","14.1039","0.0005","78.964","0.003","87.859","0.004","86.905","0.004","1046.59","0.09","153","2","100","2","","","","","","","","6","P -1","-P 1","2","(p-Cym)Ru(N-ImMe)2Cl.H2O","","","- C18 H28 Cl2 N4 O Ru -","- C18 H28 Cl2 N4 O Ru -","- C36 H56 Cl4 N8 O2 Ru2 -","2","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0291","0.0224","","","0.0567","0.0602","","","","","","1.217","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505684","8.563","0.007","13.044","0.011","13.243","0.003","110.87","0.03","98.93","0.04","95.91","0.06","1345.2","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Ru(p-cymene)(bimid)2Cl]Cl","","","- C24 H38 Cl2 N4 Ru -","- C24 H38 Cl2 N4 Ru -","- C48 H76 Cl4 N8 Ru2 -","2","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0803","0.0512","","","0.1297","0.1486","","","","","","1.248","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505685","8.4268","0.0004","13.5307","0.0008","19.9593","0.0011","90","","91.305","0.004","90","","2275.2","0.2","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B2 F8 N6 Ru -","- C18 H24 B2 F8 N6 Ru -","- C72 H96 B8 F32 N24 Ru4 -","4","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0371","0.0273","","","0.0651","0.0678","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505686","12.4321","0.001","12.9605","0.0011","13.0867","0.0013","90.149","0.008","117.791","0.006","90.948","0.006","1865","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 Cl4 N4 Ru2 -","- C34 H52 Cl4 N4 Ru2 -","- C68 H104 Cl8 N8 Ru4 -","2","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0523","0.0356","","","0.0935","0.1257","","","","","","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505687","13.3895","0.0017","12.5339","0.0009","18.671","0.002","90","","104.039","0.009","90","","3039.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 B Cl N4 Ru -","- C36 H34 B Cl N4 Ru -","- C144 H136 B4 Cl4 N16 Ru4 -","4","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0762","0.0473","","","0.1055","0.1367","","","","","","1.26","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505688","17.4953","0.0009","17.5283","0.0009","30.01","0.002","90","","96.766","0.005","90","","9138.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H130 Cl2 N6 O6 Zn2 -","- C91 H130 Cl2 N6 O6 Zn2 -","- C364 H520 Cl8 N24 O24 Zn8 -","4","1","","Görner, Helmut; Khanra, Sumit; Weyhermüller, Thomas; Chaudhuri, Phalguni","Photoinduced intramolecular proton transfer of phenol-containing ligands and their zinc complexes.","The journal of physical chemistry. A","2006","110","8","2587","2594","10.1021/jp053662p","","","0.71073","MoKα","","0.0999","0.0814","","","0.1664","0.1744","","","","","","1.166","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505689","8.745","0.004","10.993","0.005","10.41","0.005","90","","102.383","0.002","90","","977.5","0.8","148.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl N3 -","- C8 H12 Cl N3 -","- C32 H48 Cl4 N12 -","4","1","","Saha, Satyen; Hamaguchi, Hiro-o","Effect of water on the molecular structure and arrangement of nitrile-functionalized ionic liquids.","The journal of physical chemistry. B","2006","110","6","2777","2781","10.1021/jp053817t","","","0.7107","MoKα","","","0.034","","","","0.082","","","","","","1.092","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505690","7.216","0.001","13.874","0.002","10.896","0.002","90","","99.055","0.005","90","","1077.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[nbmim]Cl.H2O","1-butyronitrile-3-methylimidazolium chloride. H2O","","- C8 H14 Cl N3 O -","- C8 H14 Cl N3 O -","- C32 H56 Cl4 N12 O4 -","4","1","","Saha, Satyen; Hamaguchi, Hiro-o","Effect of water on the molecular structure and arrangement of nitrile-functionalized ionic liquids.","The journal of physical chemistry. B","2006","110","6","2777","2781","10.1021/jp053817t","","","0.71069","MoKα","","0.0553","0.0532","","","0.1534","0.1569","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505691","7.866","0.002","7.928","0.002","9.05","0.002","87.38","0.006","87.004","0.006","75.926","0.005","546.4","0.2","143.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 I N3 -","- C8 H12 I N3 -","- C16 H24 I2 N6 -","2","1","","Saha, Satyen; Hamaguchi, Hiro-o","Effect of water on the molecular structure and arrangement of nitrile-functionalized ionic liquids.","The journal of physical chemistry. B","2006","110","6","2777","2781","10.1021/jp053817t","","","0.7107","MoKα","","","0.029","","","","0.087","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505692","14.257","0.004","38.099","0.01","16.146","0.004","90","","105.981","0.005","90","","8431","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H67 N6 O25.5 S4 -","- C64 H47 N6 O25.25 S4 -","- C256 H188 N24 O101 S16 -","4","1","","Liu, Yu; Guo, Dong-Sheng; Zhang, Heng-Yi; Ma, Yu-Hong; Yang, En-Cui","The structure and thermodynamics of calix[n]arene complexes with dipyridines and phenanthroline in aqueous solution studied by microcalorimetry and NMR spectroscopy.","The journal of physical chemistry. B","2006","110","7","3428","3434","10.1021/jp0545703","","","0.71073","MoKα","","0.2965","0.1654","","","0.3793","0.4583","","","","","","1.236","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505693","25.09153","0.00018","25.09153","","25.09153","","90","","90","","90","","15797.2","0.11","5","","","","","","","","","","","4","F d -3 :2","-F 2uv 2vw 3","203","NaX","","","- Al2.75 Na2.59 O12 Si3.25 -","- Al2.7522 Na2.5885 O12 Si3.2478 -","- Al88.0704 Na82.832 O384 Si103.93 -","32","0.333333","","Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd","Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction.","The journal of physical chemistry. B","2006","110","1","342","353","10.1021/jp054636u","powder diffraction","neutron","2.4","","","","","","","","","0.02326","","1.91","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505694","25.10741","0.00016","25.10741","","25.10741","","90","","90","","90","","15827.3","0.1","5","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","NaX","","","- Al0.92 D0.38 Na0.91 O4.19 Si1.08 -","- Al0.9174 D0.3798 Na0.906333 O4.18967 Si1.0826 -","- Al88.0704 D36.4608 Na87.008 O402.208 Si103.93 -","96","1","","Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd","Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction.","The journal of physical chemistry. B","2006","110","1","342","353","10.1021/jp054636u","powder diffraction","neutron","2.4","","","","","","","","","0.01929","","1.81","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505695","25.10442","0.00014","25.10442","","25.10442","","90","","90","","90","","15821.6","0.09","5","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","NaX","","","- Al0.92 D0.89 Na0.84 O4.45 Si1.08 -","- Al0.9174 D0.8924 Na0.8435 O4.44607 Si1.0826 -","- Al88.0704 D85.6704 Na80.976 O426.822 Si103.93 -","96","1","","Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd","Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction.","The journal of physical chemistry. B","2006","110","1","342","353","10.1021/jp054636u","powder diffraction","neutron","2.4","","","","","","","","","0.0163","","1.5","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505696","25.05049","0.00015","25.05049","","25.05049","","90","","90","","90","","15719.9","0.09","5","","5","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","NaX","","","- Al2.75 D4.1 Na2.92 O14.05 Si3.25 -","- Al2.7522 D4.0998 Na2.9195 O14.0503 Si3.2478 -","- Al88.0704 D131.194 Na93.424 O449.61 Si103.93 -","32","0.333333","","Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd","Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction.","The journal of physical chemistry. B","2006","110","1","342","353","10.1021/jp054636u","powder diffraction","neutron","2.4","","","","","","","","","0.0194","","1.49","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505697","12.905","0.002","21.344","0.004","5.1279","0.001","90","","90","","90","","1412.5","0.4","150","2","150","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- F1.28 O48 Si24 -","- F1.28 O48 Si24 -","- F1.28 O48 Si24 -","1","0.125","","Burton, Allen; Darton, Richard J.; Davis, Mark E.; Hwang, Song-Jong; Morris, Russell E.; Ogino, Isao; Zones, Stacey I.","Structure-directing agent location and non-centrosymmetric structure of fluoride-containing zeolite SSZ-55.","The journal of physical chemistry. B","2006","110","11","5273","5278","10.1021/jp054950o","","","0.6897","synchrotron","","0.0403","0.0388","","","0.1079","0.1085","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505698","9.376","0.004","18.932","0.008","20.837","0.008","96.88","0.04","101.14","0.04","104.49","0.04","3458","3","177","2","177","2","","","","","","","chemical synthesis","8","P -1","-P 1","2","Zn(II) complex","","","- C69 H78 B2 Cl2 F4 N10 O10 Zn -","- C69 H78 B2 Cl2 F4 N10 O10 Zn -","- C138 H156 B4 Cl4 F8 N20 O20 Zn2 -","2","1","","Harriman, Anthony; Rostron, James P.; Cesario, Michèle; Ulrich, Gilles; Ziessel, Raymond","Electron transfer in self-assembled orthogonal structures.","The journal of physical chemistry. A","2006","110","26","7994","8002","10.1021/jp054992c","","","0.947","synchrotronDCI","","0.0399","0.0398","","0.1049","","0.1048","","","1.042","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505699","14.138","0.004","5.0768","0.0018","14.813","0.005","90","","99.545","0.002","90","","1048.5","0.6","293","1","293","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-H-pyrrole-2-carboxylic acid amide","","- C5 H6 N2 O -","- C5 H6 N2 O -","- C40 H48 N16 O8 -","8","1","","Grabowski, Sławomir J; Dubis, Alina T.; Palusiak, Marcin; Leszczynski, Jerzy","Heteronuclear intermolecular resonance-assisted hydrogen bonds. The structure of pyrrole-2-carboxamide (PyCa).","The journal of physical chemistry. B","2006","110","12","5875","5882","10.1021/jp055334v","","","0.71069","MoKα","","","0.0277","","","","0.0777","","","","","","0.877","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505700","12.12","0.03","20.95","0.05","27.35","0.05","90.87","0.19","91.28","0.18","103.59","0.18","6747","3","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Li Ni O8 S10 -","- C22 H32 Li Ni O8 S10 -","- C176 H256 Li8 Ni8 O64 S80 -","8","4","","Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.","The journal of physical chemistry. B","2006","110","12","5897","5904","10.1021/jp055574a","","","0.71075","MoKα","","","0.0995","","","","0.3736","","","","","","1.065","","","","has coordinates","210235","2020-10-21","18:00:00",""
"1505701","30.03","0.04","11.327","0.017","10.357","0.019","90","","106.47","0.05","90","","3378","9","100.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 Na Ni O8 S10 -","- C22 H32 Na Ni O8 S10 -","- C88 H128 Na4 Ni4 O32 S40 -","4","0.5","","Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.","The journal of physical chemistry. B","2006","110","12","5897","5904","10.1021/jp055574a","","","0.71075","MoKα","","","0.0599","","","","0.2002","","","","","","1.066","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505702","10.477","0.015","11.588","0.02","14.498","0.017","90","","92.58","0.04","90","","1758","4","296.1","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H32 Na Ni O8 S10 -","- C22 H32 Na Ni O8 S10 -","- C44 H64 Na2 Ni2 O16 S20 -","2","0.25","","Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.","The journal of physical chemistry. B","2006","110","12","5897","5904","10.1021/jp055574a","","","0.71075","MoKα","","","0.0862","","","","0.2908","","","","","","1.201","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505703","29.872","0.01","11.268","0.006","10.309","0.005","90","","106.376","0.017","90","","3329","3","93.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 K Ni O8 S10 -","- C22 H32 K Ni O8 S10 -","- C88 H128 K4 Ni4 O32 S40 -","4","0.5","","Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.","The journal of physical chemistry. B","2006","110","12","5897","5904","10.1021/jp055574a","","","0.71075","MoKα","","","0.0206","","","","0.0519","","","","","","0.978","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505704","10.472","0.016","11.584","0.014","14.494","0.015","90","","92.61","0.04","90","","1756","4","296.1","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H32 K Ni O8 S10 -","- C22 H32 K Ni O8 S10 -","- C44 H64 K2 Ni2 O16 S20 -","2","0.25","","Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.","The journal of physical chemistry. B","2006","110","12","5897","5904","10.1021/jp055574a","","","0.71075","MoKα","","","0.0423","","","","0.1385","","","","","","1.105","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505705","30.614","0.015","11.144","0.006","10.275","0.004","90","","106.24","0.018","90","","3366","3","100.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 Ni O8 Rb S10 -","- C22 H32 Ni O8 Rb S10 -","- C88 H128 Ni4 O32 Rb4 S40 -","4","0.5","","Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.","The journal of physical chemistry. B","2006","110","12","5897","5904","10.1021/jp055574a","","","0.71075","MoKα","","","0.0338","","","","0.0801","","","","","","1.051","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505706","31.19","0.05","11.346","0.014","10.41","0.013","90","","107.04","0.05","90","","3522","8","298.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 Ni O8 Rb S10 -","- C22 H32 Ni O8 Rb S10 -","- C88 H128 Ni4 O32 Rb4 S40 -","4","0.5","","Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.","The journal of physical chemistry. B","2006","110","12","5897","5904","10.1021/jp055574a","","","0.71075","MoKα","","","0.0421","","","","0.0977","","","","","","0.809","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505707","12.196","0.002","26.506","0.005","7.2171","0.0014","90","","102.83","0.03","90","","2274.8","0.8","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 N6 Ni O2 S4 -","- C20 H11 N6 Ni O2 S4 -","- C80 H44 N24 Ni4 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0391","0.0264","","","0.0624","0.0658","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505708","12.176","0.002","26.492","0.005","7.2027","0.0014","90","","102.82","0.03","90","","2265.4","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.01 N6 Ni0.99 O2 S4 -","- C20 H11 N6 Ni O2 S4 -","- C80 H44 N24 Ni4 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0537","0.0373","","","0.0846","0.1014","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505709","12.152","0.002","26.427","0.005","7.1924","0.0014","90","","102.85","0.03","90","","2251.9","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.04 N6 Ni0.96 O2 S4 -","- C20 H11 Au0.0353 N6 Ni0.9647 O2 S4 -","- C80 H44 Au0.1412 N24 Ni3.8588 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.1534","0.0544","","","0.0737","0.0914","","","","","","0.912","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505710","12.188","0.002","26.503","0.005","7.215","0.0014","90","","102.93","0.03","90","","2271.5","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.11 N6 Ni0.89 O2 S4 -","- C20 H11 Au0.1062 N6 Ni0.8938 O2 S4 -","- C80 H44 Au0.4248 N24 Ni3.5752 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0758","0.0409","","","0.0735","0.0946","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505711","12.194","0.002","26.577","0.005","7.226","0.0014","90","","102.98","0.03","90","","2282","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.21 N6 Ni0.79 O2 S4 -","- C20 H11 Au0.2082 N6 Ni0.7918 O2 S4 -","- C80 H44 Au0.8328 N24 Ni3.1672 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0724","0.0508","","","0.1017","0.1172","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505712","12.191","0.002","26.626","0.005","7.2551","0.0015","90","","103.02","0.03","90","","2294.4","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.27 N6 Ni0.73 O2 S4 -","- C20 H11 Au0.2676 N6 Ni0.7324 O2 S4 -","- C80 H44 Au1.0704 N24 Ni2.9296 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0415","0.0343","","","0.0772","0.0804","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505713","12.2","0.002","26.524","0.005","7.2281","0.0014","90","","103.03","0.03","90","","2278.7","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.35 N6 Ni0.65 O2 S4 -","- C20 H11 Au0.3479 N6 Ni0.6521 O2 S4 -","- C80 H44 Au1.3916 N24 Ni2.6084 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0494","0.0354","","","0.0793","0.0917","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505714","12.15","0.002","26.553","0.005","7.2316","0.0014","90","","103.14","0.03","90","","2272","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.41 N6 Ni0.59 O2 S4 -","- C20 H11 Au0.4111 N6 Ni0.5889 O2 S4 -","- C80 H44 Au1.6444 N24 Ni2.3556 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0442","0.0326","","","0.064","0.0697","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505715","12.176","0.002","26.582","0.005","7.2458","0.0014","90","","103.15","0.03","90","","2283.7","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.49 N6 Ni0.51 O2 S4 -","- C20 H11 Au0.4883 N6 Ni0.5117 O2 S4 -","- C80 H44 Au1.9532 N24 Ni2.0468 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0751","0.0465","","","0.093","0.102","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505716","12.191","0.002","26.626","0.005","7.2551","0.0015","90","","103.22","0.03","90","","2292.6","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.57 N6 Ni0.43 O2 S4 -","- C20 H11 Au0.5709 N6 Ni0.4291 O2 S4 -","- C80 H44 Au2.2836 N24 Ni1.7164 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.043","0.0338","","","0.0839","0.0865","","","","","","1.161","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505717","12.203","0.002","26.67","0.005","7.2823","0.0015","90","","103.4","0.03","90","","2305.5","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.73 N6 Ni0.27 O2 S4 -","- C20 H11 Au0.7252 N6 Ni0.2748 O2 S4 -","- C80 H44 Au2.9008 N24 Ni1.0992 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0537","0.0425","","","0.0695","0.0723","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505718","12.237","0.002","26.762","0.005","7.3168","0.0015","90","","103.6","0.03","90","","2329","0.8","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au N6 O2 S4 -","- C20 H11 Au N6 O2 S4 -","- C80 H44 Au4 N24 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0741","0.0397","","","0.0878","0.1095","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505719","12.045","0.002","26.43","0.005","7.1337","0.0014","90","","101.88","0.03","90","","2222.4","0.8","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.35 N6 Ni0.65 O2 S4 -","- C20 H11 Au0.354 N6 Ni0.65 O2 S4 -","- C80 H44 Au1.416 N24 Ni2.6 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.1394","0.1094","","","0.222","0.2329","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505720","12.061","0.002","26.487","0.005","7.1393","0.0014","90","","102.01","0.03","90","","2230.8","0.8","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.49 N6 Ni0.51 O2 S4 -","- C20 H11 Au0.485 N6 Ni0.51 O2 S4 -","- C80 H44 Au1.94 N24 Ni2.04 O8 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.0674","0.0518","","","0.1495","0.188","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505721","7.072","0.004","11.974","0.006","26.325","0.014","89.419","0.01","88.557","0.01","78.817","0.009","2186","2","10","2","10","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H11 Au0.27 N6 Ni0.73 O2 S4 -","- C20 H11 Au0.27 N6 Ni0.73 O2 S4 -","- C80 H44 Au1.08 N24 Ni2.92 O8 S16 -","4","2","","Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K.","Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate.","The journal of physical chemistry. B","2006","110","15","7671","7677","10.1021/jp0556106","","","0.71073","MoKα","","0.1643","0.1588","","","0.3869","0.3884","","","","","","1.257","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505722","16.345","0.004","17.334","0.004","14.973","0.003","90","","90","","90","","4242.2","1.7","293","2","293","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C36 H49 Cl N12 Ni2 O6 -","- C18 H24.5 Cl0.5 N6 Ni O3.5 -","- C144 H196 Cl4 N48 Ni8 O28 -","8","1","","Sarkar, Sumana; Datta, Ayan; Mondal, Amrita; Chopra, Deepak; Ribas, Joan; Rajak, Kajal Krishna; Sairam S M, Sairam; Pati, Swapan K.","Competing magnetic interactions in a dinuclear Ni(II) complex: antiferromagnetic O-H...O moiety and ferromagnetic N3- ligand.","The journal of physical chemistry. B","2006","110","1","12","15","10.1021/jp0556963","","","0.71073","MoKα","","0.1434","0.1057","","","0.1991","0.2139","","","","","","1.283","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505723","7.558","0.002","4.9822","0.0014","16.015","0.004","90","","92.395","0.006","90","","602.5","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 Cl O4 -","- C4 H3 Cl O4 -","- C16 H12 Cl4 O16 -","4","1","","Wong, Alan; Pike, Kevin J.; Jenkins, Rob; Clarkson, Guy J.; Anupõld, Tiit; Howes, Andrew P.; Crout, David H. G.; Samoson, Ago; Dupree, Ray; Smith, Mark E.","Experimental and theoretical 17O NMR study of the influence of hydrogen-bonding on C=O and O-H oxygens in carboxylic solids.","The journal of physical chemistry. A","2006","110","5","1824","1835","10.1021/jp055807y","","","0.71073","MoKα","","0.0423","0.031","","","0.0734","0.077","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505724","17.4135","0.0011","10.5109","0.0007","17.2309","0.0011","90","","96.324","0.001","90","","3134.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(N,N-diethyldithiocarbamate)(2,2'-Bipyridyl)ytterbium(III)","","- C25 H38 N5 S6 Yb -","- C25 H38 N5 S6 Yb -","- C100 H152 N20 S24 Yb4 -","4","1","","Liu, G. K.; Jensen, M. P.; Almond, P. M.","Systematic behavior of charge-transfer transitions and energy level variation in soft donor complexes of the trivalent lanthanides.","The journal of physical chemistry. A","2006","110","6","2081","2088","10.1021/jp0558674","","","0.71073","MoKα","","0.0392","0.025","","","0.0495","0.0526","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505725","8.7852","0.0001","14.581","0.0001","17.7406","0.0005","73.052","0.007","86.854","0.009","69.249","0.007","2029.83","0.14","193.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 F18 N4 Ni1.5 O11 -","- C29 H29 F18 N4 Ni1.5 O11 -","- C58 H58 F36 N8 Ni3 O22 -","2","1","","Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Experimental evidence for the triplet-like spin state appearing in ground-state singlet biradicals as a key feature for generalized ferrimagnetic spin alignment.","The journal of physical chemistry. B","2006","110","5","2102","2107","10.1021/jp056052y","","","0.7107","MoKα","","","0.057","","","","0.183","","","","","","1.003","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505726","7.827","0.0005","4.8647","0.0005","20.2212","0.0016","90","0.008","92.791","0.006","90","0.007","769.03","0.11","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 -","- C24 H16 -","- C48 H32 -","2","0.5","","Santos, Rui C.; Bernardes, Carlos E. S.; Diogo, Hermínio P; Piedade, M Fátima M; Canongia Lopes, José N; Minas da Piedade, Manuel E.","Energetics of the thermal dimerization of acenaphthylene to heptacyclene.","The journal of physical chemistry. A","2006","110","6","2299","2307","10.1021/jp056275o","","","1.5418","CuKα","","0.049","0.0367","","","0.0858","0.0909","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505727","4.892","0.005","4.892","0.005","11.002","0.012","90","","90","","120","","228","0.4","200","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- B F4 Li -","- B F4 Li -","- B3 F12 Li3 -","3","0.5","","Matsumoto, Kazuhiko; Hagiwara, Rika; Mazej, Zoran; Goreshnik, Evgeny; Zemva, Boris","Anomalously large formula unit volume and its effect on the thermal behavior of LiBF4.","The journal of physical chemistry. B","2006","110","5","2138","2141","10.1021/jp0564795","","","0.71069","MoKα","","0.0413","0.0384","","","0.0882","0.0934","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505728","5.7128","0.0014","14.346","0.004","6.9722","0.0017","90","","97.468","0.003","90","","566.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Co2 N8 O4 S4 -","- C16 H16 Co2 N8 O4 S4 -","- C16 H16 Co2 N8 O4 S4 -","1","0.25","","Shi, Jing-Min; Sun, You-Min; Zhang, Xia; Yi, Long; Cheng, Peng; Liu, Lian-Dong","Magnetic study on a two-dimensional coordination polymer with mixed bridging ligands.","The journal of physical chemistry. A","2006","110","24","7677","7681","10.1021/jp056487l","","","0.71073","MoKα","","0.036","0.0317","","","0.0771","0.0789","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505729","11.1557","0.0008","12.5428","0.0009","8.0282","0.0006","90","","97.45","0.001","90","","1113.85","0.14","213","2","213","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F3 -","- C15 H9 F0.96 -","- C60 H36 F3.84 -","4","1","","Wang, Xianlong; Mallory, Frank B.; Mallory, Clelia W.; Beckmann, Peter A.; Rheingold, Arnold L.; Francl, Michelle M.","CF3 rotation in 3-(trifluoromethyl)phenanthrene. X-ray diffraction and ab initio electronic structure calculations.","The journal of physical chemistry. A","2006","110","11","3954","3960","10.1021/jp056662y","","","0.71073","MoKα","","0.0492","0.0409","","","0.1181","0.1249","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505730","20.392","0.003","41.473","0.006","8.0801","0.0012","90","","90.08","0.003","90","","6833.5","1.7","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 S11 -","- C30 H32 S11 -","- C240 H256 S88 -","8","1","","Berridge, Rory; Skabara, Peter J.; Pozo-Gonzalo, Cristina; Kanibolotsky, Alexander; Lohr, Jan; McDouall, Joseph J. W.; McInnes, Eric J. L.; Wolowska, Joanna; Winder, Christoph; Sariciftci, N. Serdar; Harrington, Ross W.; Clegg, William","Incorporation of fused tetrathiafulvalenes (TTFs) into polythiophene architectures: varying the electroactive dominance of the TTF species in hybrid systems.","The journal of physical chemistry. B","2006","110","7","3140","3152","10.1021/jp057256h","","","0.686","synchrotron","","0.0972","0.0817","","","0.2215","0.2358","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505731","9.1848","0.0018","17.229","0.003","15.299","0.003","90","","92.8","0.03","90","","2418.1","0.8","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Y(H2O)8]Cl3*15-crown5","","","- C10 H36 Cl3 O13 Y -","- C10 H36 Cl3 O13 Y -","- C40 H144 Cl12 O52 Y4 -","4","1","","Lindqvist-Reis, Patric; Walther, Clemens; Klenze, Reinhardt; Eichhöfer, Andreas; Fanghänel, Thomas","Large ground-state and excited-state crystal field splitting of 8-fold-coordinate Cm3+ in [Y(H2O)8]Cl3.15-crown-5.","The journal of physical chemistry. B","2006","110","11","5279","5285","10.1021/jp0574100","","","0.71073","MoKα","","0.0641","0.0472","","","0.1209","0.1338","","","","","","0.886","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505732","13.41","0.002","14.547","0.002","21.17","0.004","90","","103.798","0.003","90","","4010.6","1.1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 F4 Ir N5 O3 P -","- C43 H43 F4 Ir N5 O3 P -","- C172 H172 F16 Ir4 N20 O12 P4 -","4","1","","Lyu, Yi-Yeol; Byun, Younghun; Kwon, Ohyun; Han, Eunsil; Jeon, Woo Sung; Das, Rupasree Ragini; Char, Kookheon","Substituent effect on the luminescent properties of a series of deep blue emitting mixed ligand Ir(III) complexes.","The journal of physical chemistry. B","2006","110","21","10303","10314","10.1021/jp057446s","","","0.71073","MoKα","","0.0623","0.0567","","","0.1247","0.1271","","","","","","1.219","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505733","9.707","0.0008","10.2082","0.0008","19.8603","0.0016","86.894","0.001","88.988","0.002","88.887","0.002","1964.4","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H41 F4 Ir N3 O5 P -","- C44 H41 F4 Ir N3 O5 P -","- C88 H82 F8 Ir2 N6 O10 P2 -","2","1","","Lyu, Yi-Yeol; Byun, Younghun; Kwon, Ohyun; Han, Eunsil; Jeon, Woo Sung; Das, Rupasree Ragini; Char, Kookheon","Substituent effect on the luminescent properties of a series of deep blue emitting mixed ligand Ir(III) complexes.","The journal of physical chemistry. B","2006","110","21","10303","10314","10.1021/jp057446s","","","0.71073","MoKα","","0.0203","0.0193","","","0.0481","0.0485","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505734","9.5714","0.0002","9.5714","0.0002","9.5714","0.0002","90","","90","","90","","876.85","0.03","100","2","100","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C12 H12 Cr -","- C12 H12 Cr -","- C48 H48 Cr4 -","4","0.166667","","Lyssenko, Konstantin A.; Korlyukov, Alexander A.; Golovanov, Denis G.; Ketkov, Sergey Yu; Antipin, Mikhail Yu","Estimation of the barrier to rotation of benzene in the (eta 6-C6H6)2Cr crystal via topological analysis of the electron density distribution function.","The journal of physical chemistry. A","2006","110","20","6545","6551","10.1021/jp057516v","","","0.71073","MoKα","","0.0498","0.0295","","","0.0564","0.0751","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505735","33.46","0.01","8.032","0.002","48.84","0.01","90","","103.43","0.03","90","","12767","6","294","","294","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N2 O4 S6 -","- C34 H24 N2 O4 S6 -","- C544 H384 N32 O64 S96 -","16","2","","Jousselme, Bruno; Blanchard, Philippe; Allain, Magali; Levillain, Eric; Dias, Marylène; Roncali, Jean","Structural control of the electronic properties of photodynamic azobenzene-derivatized pi-conjugated oligothiophenes.","The journal of physical chemistry. A","2006","110","10","3488","3494","10.1021/jp060254s","","","0.71073","MoKα","","0.285","0.107","","0.477","","0.159","","","3.297","","","1.376","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505736","12.3542","0.0006","10.1592","0.0005","10.198","0.0005","90","","96.839","0.004","90","","1270.83","0.11","15","0.1","15","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C4 H14 Cl5 N2 Sb -","- C4 H14 Cl5 N2 Sb -","- C16 H56 Cl20 N8 Sb4 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.0373","0.034","","","0.0728","0.0742","","","","","","1.22","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505737","12.366","0.0007","10.1778","0.0005","10.2219","0.0006","90","","97.066","0.004","90","","1276.74","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C4 H14 Cl5 N2 Sb -","- C4 H14 Cl5 N2 Sb -","- C16 H56 Cl20 N8 Sb4 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.0244","0.0226","","","0.035","0.0355","","","","","","1.191","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505738","12.484","0.003","10.265","0.0015","10.3502","0.0013","90","","97.785","0.019","90","","1314.1","0.4","297","2","297","2","100","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C4 H14 Cl5 N2 Sb -","- C4 H14 Cl5 N2 Sb -","- C16 H56 Cl20 N8 Sb4 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.1183","0.0553","","","0.0789","0.0944","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505739","12.2733","0.0016","10.1433","0.0006","10.081","0.0005","90","","96.782","0.009","90","","1246.22","0.19","297","2","297","2","550000","","550000","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C4 H14 Cl5 N2 Sb -","- C4 H14 Cl5 N2 Sb -","- C16 H56 Cl20 N8 Sb4 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.0942","0.0361","","","0.0492","0.0548","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505740","24.649","0.0012","10.0612","0.0005","10.121","0.0004","90","","107.349","0.007","90","","2395.8","0.2","297","2","297","2","1000000","","1000000","","","","","5","P 1 21/n 1","-P 2yn","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C8 H28 Cl10 N4 Sb2 -","- C8 H28 Cl10 N4 Sb2 -","- C32 H112 Cl40 N16 Sb8 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.1315","0.0566","","","0.0732","0.0878","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505741","24.3137","0.0013","9.9272","0.0005","9.9246","0.0004","90","","107.205","0.007","90","","2288.3","0.2","297","2","297","2","2000000","","2000000","","","","","5","P 1 21/n 1","-P 2yn","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C8 H28 Cl10 N4 Sb2 -","- C8 H28 Cl10 N4 Sb2 -","- C32 H112 Cl40 N16 Sb8 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.1583","0.0566","","","0.08","0.0937","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505742","24.0842","0.0016","9.797","0.0006","9.767","0.0004","90","","107.171","0.008","90","","2201.8","0.2","297","2","297","2","3100000","","3100000","","","","","5","P 1 21/n 1","-P 2yn","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C8 H28 Cl10 N4 Sb2 -","- C8 H28 Cl10 N4 Sb2 -","- C32 H112 Cl40 N16 Sb8 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.1073","0.0565","","","0.0914","0.1049","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505743","23.969","0.003","9.7129","0.0012","9.6721","0.0008","90","","107.183","0.016","90","","2151.2","0.5","297","2","297","2","4000000","","4000000","","","","","5","P 1 21/n 1","-P 2yn","14","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","N,N-Dimethylethylenediammonium Pentachloroantimonate(III)","","- C8 H28 Cl10 N4 Sb2 -","- C8 H28 Cl10 N4 Sb2 -","- C32 H112 Cl40 N16 Sb8 -","4","1","","Bujak, Maciej; Angel, Ross J.","High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].","The journal of physical chemistry. B","2006","110","21","10322","10331","10.1021/jp060652v","","","0.71073","MoKα","","0.1147","0.0597","","","0.1099","0.131","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505744","11.6887","","5.8139","","24.7151","","90","","101.838","","90","","1643.84","","","","298","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Ba0.5 Bi6 Mo2.5 O17 -","- Ba0.5 Bi6 Mo2.5 O17 -","- Ba2 Bi24 Mo10 O68 -","4","1","","Muktha, B.; Aarthi, T.; Madras, Giridhar; Guru Row, T. N.","Substitution effect on the photocatalytic degradation by the series AxBi26-xMo10O68+0.5y (A = Ba, y = 0; A = Bi, La, y = 2): a kinetic study.","The journal of physical chemistry. B","2006","110","21","10280","10286","10.1021/jp060945o","","","0.71073","MoKα","","0.0558","0.0558","","","0.1374","0.1374","","","","1.24","1.24","1.24","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505745","23.748","0.015","13.434","0.008","8.212","0.012","90","","75.34","0.09","90","","2535","4","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H28 Cs Li N2 O4 -","- C14 H28 Cs Li N2 O4 -","- C56 H112 Cs4 Li4 N8 O16 -","4","0.5","","Ichimura, Andrew S.; Huang, Rui H.; Xie, Qingshan; Morganelli, Philip; Burns, Amy; Dye, James L.","One-dimensional zigzag chains of Cs-: the structures and properties of Li+ (cryptand[2.1.1])Cs- and Cs+ (cryptand[2.2.2])Cs-.","The journal of physical chemistry. B","2006","110","25","12293","12301","10.1021/jp061200l","","","0.71069","MoKα","","0.1677","0.1194","","0.3558","0.3003","","","","1.028","1.131","1.131","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505746","8.823","0.003","13.007","0.005","14.424","0.006","81.912","0.006","80.385","0.006","74.07","0.007","1561.5","1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H25.5 Mg N9.5 O -","- C39.5 H20.5 Mg N9.5 O -","- C79 H41 Mg2 N19 O2 -","2","1","","Wong, Alan; Ida, Ramsey; Mo, Xin; Gan, Zhehong; Poh, Jennifer; Wu, Gang","Solid-state 25Mg NMR spectroscopic and computational studies of organic compounds. square-pyramidal magnesium(II) ions in aqua(magnesium) phthalocyanine and chlorophyll a.","The journal of physical chemistry. A","2006","110","33","10084","10090","10.1021/jp061350w","","","0.71073","MoKα","","0.2174","0.0655","","","0.0931","0.1156","","","","","","0.778","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505747","18.1948","0.0002","11.14953","0.00009","11.13725","0.00009","90","","107.733","0.002","90","","2151.99","0.04","300","","300","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Endohedral metallofullerene","","- C89 H8 Sc3 -","- C65.65 H5.4 Sc1.959 -","- C131.3 H10.8 Sc3.918 -","2","0.5","","Nishibori, Eiji; Terauchi, Ikuya; Sakata, Makoto; Takata, Masaki; Ito, Yasuhiro; Sugai, Toshiki; Shinohara, Hisanori","High-resolution analysis of (Sc3C2)@ C80 metallofullerene by third generation synchrotron radiation X-ray powder diffraction.","The journal of physical chemistry. B","2006","110","39","19215","19219","10.1021/jp061740i","powder diffraction","","1.00123","synchrotron","","","","","","","","","0.0436","","","","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505748","10.3633","0.0007","14.4094","0.0009","13.5082","0.0007","90","","107.873","0.004","90","","1919.8","0.2","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cu N O2 -","- C22 H27 Cu N O2 -","- C88 H108 Cu4 N4 O8 -","4","1","","Phongtamrug, Suttinun; Tashiro, Kohji; Miyata, Mikiji; Chirachanchai, Suwabun","Supramolecular structure of N,N-Bis(2-hydroxybenzyl)alkylamine: flexible molecular assembly framework for host without guest and host with guest.","The journal of physical chemistry. B","2006","110","42","21365","21370","10.1021/jp061778v","","","0.7107","MoKα","","","0.048","","","","0.1186","","","","","","0.919","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505749","18.972","0.001","14.075","0.001","15.806","0.001","90","","114.051","0.002","90","","3854.3","0.4","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Cu N O3.5 -","- C19 H26 Cu N O3.5 -","- C152 H208 Cu8 N8 O28 -","8","1","","Phongtamrug, Suttinun; Tashiro, Kohji; Miyata, Mikiji; Chirachanchai, Suwabun","Supramolecular structure of N,N-Bis(2-hydroxybenzyl)alkylamine: flexible molecular assembly framework for host without guest and host with guest.","The journal of physical chemistry. B","2006","110","42","21365","21370","10.1021/jp061778v","","","0.7107","MoKα","","","0.0508","","","","0.1289","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505750","18.068","0.004","19.887","0.004","28.316","0.006","90","","90","","90","","10174","4","105","2","105","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H40 Cl6 N6 O23 Pt3 Y2 -","- C36 H18 Cl6 N6 O23 Pt3 Y2 -","- C288 H144 Cl48 N48 O184 Pt24 Y16 -","8","1","","Szeto, Kai Chung; Lillerud, Karl Petter; Tilset, Mats; Bjørgen, Morten; Prestipino, Carmelo; Zecchina, Adriano; Lamberti, Carlo; Bordiga, Silvia","A thermally stable Pt/Y-based metal-organic framework: Exploring the accessibility of the metal centers with spectroscopic methods using H2O, CH3OH, and CH3CN as probes.","The journal of physical chemistry. B","2006","110","43","21509","21520","10.1021/jp0634611","","","0.71073","MoKα","","0.1093","0.0611","","","0.104","0.1171","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505751","5.4867","0.0011","12.864","0.003","17.893","0.004","97.67","0.03","90.92","0.03","96","0.03","1244.2","0.5","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C34 H26 -","- C34 H26 -","- C68 H52 -","2","1","","Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang","A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds.","The journal of physical chemistry. B","2006","110","42","20993","21000","10.1021/jp064069q","","","0.71073","MoKα","","0.2091","0.0646","","","0.0887","0.1086","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505752","13.6","0.003","18.604","0.004","5.675","0.0011","90","","90.36","0.03","90","","1435.8","0.5","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 -","- C38 H34 -","- C76 H68 -","2","0.5","","Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang","A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds.","The journal of physical chemistry. B","2006","110","42","20993","21000","10.1021/jp064069q","","","0.71073","MoKα","","0.1012","0.0491","","","0.1099","0.1293","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505753","9.9754","0.0005","10.8854","0.0009","25.8049","0.0017","90","","98.23","0.004","90","","2773.2","0.3","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","cis-DPDMSB","cis,cis-2,5-Diphenyl-1,4-di-p-methylstyrylbenzene","","- C36 H30 -","- C36 H30 -","- C144 H120 -","4","1","","Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang","A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds.","The journal of physical chemistry. B","2006","110","42","20993","21000","10.1021/jp064069q","","x-ray","0.71073","MoKα","","0.2105","0.0657","","","0.1272","0.1467","","","","","","0.954","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505754","8.0544","0.0016","8.7247","0.0017","10.764","0.002","67.07","0.03","88.05","0.03","66.99","0.03","634.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H22 F4 -","- C34 H22 F4 -","- C34 H22 F4 -","1","0.5","","Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang","A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds.","The journal of physical chemistry. B","2006","110","42","20993","21000","10.1021/jp064069q","","","0.71073","MoKα","","0.1018","0.0496","","","0.1043","0.1314","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505755","23.4721","0.0008","10.2027","0.0004","25.5957","0.0008","90","","90","","90","","6129.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H12 F6 N2 O6 S2 -","- C7 H12 F6 N2 O6 S2 -","- C112 H192 F96 N32 O96 S32 -","16","2","","Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen","Task-specific ionic liquid for solubilizing metal oxides.","The journal of physical chemistry. B","2006","110","42","20978","20992","10.1021/jp0642995","","","1.54178","CuKα","","0.0474","0.04","","","0.0966","0.1007","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505756","8.2731","0.0006","13.0086","0.001","24.9865","0.0018","90","","95.181","0.003","90","","2678.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 F18 N7 O20 S6 -","- C26 H47 F18 N7 O20 S6 -","- C52 H94 F36 N14 O40 S12 -","2","0.5","","Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen","Task-specific ionic liquid for solubilizing metal oxides.","The journal of physical chemistry. B","2006","110","42","20978","20992","10.1021/jp0642995","","","1.54178","CuKα","","0.1029","0.0631","","","0.1499","0.1674","","","","","","0.947","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505757","15.2183","0.0002","26.1383","0.0003","15.6211","0.0002","90","","117.554","0.001","90","","5508.97","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Cu3 F36 N14 O44 S12 -","- C52 H88 Cu3 F36 N14 O44 S12 -","- C104 H176 Cu6 F72 N28 O88 S24 -","2","0.5","","Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen","Task-specific ionic liquid for solubilizing metal oxides.","The journal of physical chemistry. B","2006","110","42","20978","20992","10.1021/jp0642995","","","1.54178","CuKα","","0.063","0.0577","","","0.1576","0.1661","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505758","14.5423","0.0004","14.5866","0.0003","15.0399","0.0004","82.522","0.002","65.901","0.001","71.849","0.001","2767.31","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H88 Dy2 F36 N14 O44 S12 -","- C52 H88 Dy2 F36 N14 O44 S12 -","- C52 H88 Dy2 F36 N14 O44 S12 -","1","0.5","","Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen","Task-specific ionic liquid for solubilizing metal oxides.","The journal of physical chemistry. B","2006","110","42","20978","20992","10.1021/jp0642995","","","1.54178","CuKα","","0.0413","0.0381","","","0.0929","0.0945","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505759","15.224","0.003","8.9383","0.0018","17.234","0.003","90","","114.36","0.03","90","","2136.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N3 O2 S -","- C44 H52 N6 O4 S2 -","- C88 H104 N12 O8 S4 -","2","0.5","","de Bettencourt-Dias, Ana; Poloukhtine, Andrei","Phenylthiophene-dipicolinic acid-based emitters with strong solution blue and solid state green emission.","The journal of physical chemistry. B","2006","110","51","25638","25645","10.1021/jp064812e","","","0.71073","MoKα","","0.1055","0.0575","","","0.1231","0.1436","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505760","6.8991","0.001","7.2227","0.0011","31.435","0.005","93.322","0.003","93.237","0.003","93.007","0.003","1558.8","0.4","183","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","2","","Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki","Fluorescence spectroscopic properties and crystal structure of a series of donor-acceptor diphenylpolyenes.","The journal of physical chemistry. A","2006","110","50","13379","13387","10.1021/jp064937j","","","0.71073","MoKα","","0.1599","0.0807","","","0.2068","0.246","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505761","8.0445","0.0009","8.5236","0.0009","14.1707","0.0015","74.95","0.002","82.264","0.002","77.374","0.002","912.51","0.17","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C44 H46 N2 O6 -","2","1","","Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki","Fluorescence spectroscopic properties and crystal structure of a series of donor-acceptor diphenylpolyenes.","The journal of physical chemistry. A","2006","110","50","13379","13387","10.1021/jp064937j","","","0.71073","MoKα","","0.0726","0.0573","","","0.1614","0.1878","","","","","","0.82","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505762","14.193","0.004","7.299","0.002","17.052","0.005","90","","95.895","0.005","90","","1757.2","0.9","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","2","","Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki","Fluorescence spectroscopic properties and crystal structure of a series of donor-acceptor diphenylpolyenes.","The journal of physical chemistry. A","2006","110","50","13379","13387","10.1021/jp064937j","","","0.71069","MoKα","","0.1209","0.096","","","0.2503","0.2656","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505763","7.89","0.005","15.945","0.005","13.063","0.005","90","0.005","94.588","0.005","90","0.005","1638.1","1.3","140","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 Cu N4 O11 S2 -","- C27 H36 Cu N4 O11 S2 -","- C54 H72 Cu2 N8 O22 S4 -","2","1","","Kondo, Atsushi; Noguchi, Hiroshi; Kajiro, Hiroshi; Carlucci, Lucia; Mercandelli, Pierluigi; Proserpio, Davide M.; Tanaka, Hideki; Kaneko, Katsumi; Kanoh, Hirofumi","Coordination symmetry-dependent structure restoration function of one-dimensional MOFs by molecular respiration.","The journal of physical chemistry. B","2006","110","51","25565","25567","10.1021/jp065438l","","","0.71069","MoKα","","0.0717","0.069","","","0.1841","0.1854","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505764","24.3572","0.0008","7.9688","0.0002","17.4501","0.0006","90","","105.172","0.001","90","","3268.97","0.18","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 Cu2 N8 O22 S4 -","- C52 H72 Cu2 N8 O22 S4 -","- C104 H144 Cu4 N16 O44 S8 -","2","0.5","","Kondo, Atsushi; Noguchi, Hiroshi; Kajiro, Hiroshi; Carlucci, Lucia; Mercandelli, Pierluigi; Proserpio, Davide M.; Tanaka, Hideki; Kaneko, Katsumi; Kanoh, Hirofumi","Coordination symmetry-dependent structure restoration function of one-dimensional MOFs by molecular respiration.","The journal of physical chemistry. B","2006","110","51","25565","25567","10.1021/jp065438l","","","0.71073","MoKα","","0.0528","0.0468","","","0.1272","0.133","","","","","","0.909","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505765","9.9059","0.0001","11.5257","0.0002","12.3039","0.0002","67.909","0.001","73.791","0.001","76.086","0.001","1235.32","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Er F18 O8 -","- C15 H7 Er F18 O8 -","- C30 H14 Er2 F36 O16 -","2","1","","Tan, Rendy H. C.; Motevalli, Majid; Abrahams, Isaac; Wyatt, Peter B.; Gillin, William P.","Quenching of IR luminescence of erbium, neodymium, and ytterbium beta-diketonate complexes by ligand C-H and C-D bonds.","The journal of physical chemistry. B","2006","110","48","24476","24479","10.1021/jp0654462","","","0.71073","MoKα","","0.0276","0.0265","","","0.067","0.0678","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505766","8.534","0.003","21.189","0.005","17.251","0.008","90","","90","","90","","3119","2","160","2","160","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H4 Cs Er F24 O8 -","- C20 H4 Cs Er F24 O8 -","- C80 H16 Cs4 Er4 F96 O32 -","4","0.5","","Tan, Rendy H. C.; Motevalli, Majid; Abrahams, Isaac; Wyatt, Peter B.; Gillin, William P.","Quenching of IR luminescence of erbium, neodymium, and ytterbium beta-diketonate complexes by ligand C-H and C-D bonds.","The journal of physical chemistry. B","2006","110","48","24476","24479","10.1021/jp0654462","","","0.71073","MoKα","","0.101","0.043","","","0.1044","0.1288","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505767","7.9022","0.0009","9.2228","0.001","24.589","0.003","90","","90","","90","","1792.1","0.4","100","0.1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O3 -","- C19 H28 N2 O3 -","- C76 H112 N8 O12 -","4","1","","Parrish, Damon; Zhurova, Elizabeth A.; Kirschbaum, Kristin; Pinkerton, A. Alan","Experimental Charge Density Study of Estrogens: 17β-Estradiol·Urea","The Journal of Physical Chemistry B","2006","110","51","26442","26447","10.1021/jp065638x","","","0.71073","MoKα","","","0.0168","","","","0.0142","","","","","","1.0955","","","","has coordinates","191009","2020-10-21","18:00:00",""
"1505768","10.6033","0.0009","11.4222","0.0009","16.0787","0.0013","90","","106.987","0.001","90","","1862.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 I3 N -","- C18 H12 I3 N -","- C72 H48 I12 N4 -","4","1","","Li, Zhen; Qin, Anjun; Lam, Jacky W. Y.; Dong, Yuping; Dong, Yongqiang; Ye, Cheng; Williams, Ian D.; Tang, Ben Zhong","Facile Synthesis, Large Optical Nonlinearity, and Excellent Thermal Stability of Hyperbranched Poly(aryleneethynylene)s Containing Azobenzene Chromophores","Macromolecules","2006","39","4","1436","","10.1021/ma051924f","","","0.71073","MoKα","","0.0464","0.0344","","","0.0813","0.0855","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505769","10.4158","0.0008","22.2961","0.0016","24.9796","0.0018","90","","90","","90","","5801.1","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72 H62 N2 O3 -","- C72 H60 N2 O3 -","- C288 H240 N8 O12 -","4","1","","Hasegawa, Takashi; Morino, Kazuhide; Tanaka, Yoshie; Katagiri, Hiroshi; Furusho, Yoshio; Yashima, Eiji","Temperature-Driven Switching of Helical Chirality of Poly[(4-carboxyphenyl)acetylene] Induced by a Single Amidine Enantiomer and Memory of the Diastereomeric Macromolecular Helicity","Macromolecules","2006","39","2","482","","10.1021/ma052206w","","","0.71073","MoKα","","0.0678","0.0553","","","0.1549","0.1666","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505770","16.6918","0.0008","20.6408","0.001","37.0204","0.0014","90","","90","","90","","12754.7","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C71 H85 Cl3 O4 -","- C71 H85 Cl3 O4 -","- C568 H680 Cl24 O32 -","8","1","","Yang, Yong; Swager, Timothy M.","Main-Chain Calixarene Polymers: Conformational Effects on Polymerization","Macromolecules","2006","39","6","2013","","10.1021/ma052630x","","","0.71073","MoKα","","0.0757","0.056","","","0.1379","0.1519","","","","","","1.071","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505771","14.411","0.0012","20.9556","0.0017","20.7622","0.0017","90","","102.285","0.003","90","","6126.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70.5 H84.5 Cl1.5 O4 -","- C70.5 H84.5 Cl1.5 O4 -","- C282 H338 Cl6 O16 -","4","1","","Yang, Yong; Swager, Timothy M.","Main-Chain Calixarene Polymers: Conformational Effects on Polymerization","Macromolecules","2006","39","6","2013","","10.1021/ma052630x","","","0.71073","MoKα","","0.0996","0.0868","","","0.194","0.2","","","","","","1.215","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505772","10.0557","0.0005","14.983","0.0008","19.4748","0.0011","74.269","0.002","76.871","0.002","71.701","0.002","2648.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H72 O4 -","- C64 H72 O4 -","- C128 H144 O8 -","2","1","","Yang, Yong; Swager, Timothy M.","Main-Chain Calixarene Polymers: Conformational Effects on Polymerization","Macromolecules","2006","39","6","2013","","10.1021/ma052630x","","","0.71073","MoKα","","0.0583","0.0491","","","0.1271","0.1361","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505773","5.7878","0.0006","10.102","0.001","24.868","0.002","90","","90","","90","","1454","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Fe -","- C20 H14 Fe -","- C80 H56 Fe4 -","4","1","","Li, Zhen; Lam, Jacky W. Y.; Dong, Yongqiang; Dong, Yuping; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Construction of Hyperbranched Polyphenylenes Containing Ferrocenyl Units by Alkyne Polycyclotrimerization","Macromolecules","2006","39","19","6458","","10.1021/ma0601823","","","0.71073","MoKα","","0.0418","0.0398","","","0.0937","0.0946","","","","","","1.125","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505774","5.9199","0.0006","19.899","0.002","12.5255","0.0014","90","","100.921","0.002","90","","1448.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Fe -","- C20 H14 Fe -","- C80 H56 Fe4 -","4","1","","Li, Zhen; Lam, Jacky W. Y.; Dong, Yongqiang; Dong, Yuping; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Construction of Hyperbranched Polyphenylenes Containing Ferrocenyl Units by Alkyne Polycyclotrimerization","Macromolecules","2006","39","19","6458","","10.1021/ma0601823","","","0.71073","MoKα","","0.079","0.0509","","","0.1106","0.1198","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505775","25.007","0.006","10.41","0.003","17.682","0.004","90","","127.982","0.003","90","","3628.1","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 Cl N2 O Zn -","- C17.5 H22.5 Cl N2 O Zn -","- C140 H180 Cl8 N16 O8 Zn8 -","8","1","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","3752","10.1021/ma060471r","","","0.71073","MoKα","","0.0595","0.0426","","","0.1256","0.1401","","","","","","0.959","","","","has coordinates","219203","2020-10-21","18:00:00",""
"1505776","11.326","0.001","14.2735","0.0013","21.298","0.002","90","","94.144","0.002","90","","3434.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 Cl2 N4 O3 Zn2 -","- C30 H46 Cl2 N4 O3 Zn2 -","- C120 H184 Cl8 N16 O12 Zn8 -","4","1","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","3752","10.1021/ma060471r","","","0.71073","MoKα","","0.0965","0.0428","","","0.1167","0.1482","","","","","","0.79","","","","has coordinates","219203","2020-10-21","18:00:00",""
"1505777","11.466","0.005","14.302","0.007","21.437","0.01","90","","95.185","0.011","90","","3501","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 Br2 N4 O3 Zn2 -","- C30 H46 Br2 N4 O3 Zn2 -","- C120 H184 Br8 N16 O12 Zn8 -","4","1","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","3752","10.1021/ma060471r","","","0.71073","MoKα","","0.1824","0.0754","","","0.1745","0.2195","","","","","","0.885","","","","has coordinates","219203","2020-10-21","18:00:00",""
"1505778","11.9948","0.0007","15.5672","0.0009","11.7767","0.0007","90","","97.869","0.001","90","","2178.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl3 N2 O2 Zn -","- C19 H23 Cl3 N2 O2 Zn -","- C76 H92 Cl12 N8 O8 Zn4 -","4","1","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","3752","10.1021/ma060471r","","","0.71073","MoKα","","0.0423","0.0328","","","0.1186","0.1292","","","","","","1.003","","","","has coordinates","219203","2020-10-21","18:00:00",""
"1505779","22.6716","0.0019","22.6716","0.0019","21.944","0.003","90","","90","","120","","9768.1","1.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22.33 H24.33 Cl N2 O2 Zn -","- C22.3333 H24.3333 Cl N2 O2 Zn -","- C402 H438 Cl18 N36 O36 Zn18 -","18","1","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","3752","10.1021/ma060471r","","","0.71073","MoKα","","0.0724","0.0517","","","0.1431","0.1622","","","","","","1.095","","","","has coordinates","219203","2020-10-21","18:00:00",""
"1505780","9.2428","0.0008","11.5764","0.001","11.4434","0.001","89.98","0.002","102.657","0.002","89.997","0.002","1194.67","0.18","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H28 Br2 N4 O2 Zn -","- C22 H28 Br2 N4 O2 Zn -","- C44 H56 Br4 N8 O4 Zn2 -","2","2","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","3752","10.1021/ma060471r","","","0.71073","MoKα","","0.0936","0.0581","","","0.1392","0.1602","","","","","","0.923","","","","has coordinates","219203","2020-10-21","18:00:00",""
"1505781","8.6783","0.0018","29.366","0.006","10.271","0.002","90","","100.885","0.005","90","","2570.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H41 N3 O2 Zn -","- C23 H41 N3 O2 Zn -","- C92 H164 N12 O8 Zn4 -","4","1","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","","10.1021/ma060471r","","","0.71073","MoKα","","0.1685","0.057","","","0.0951","0.1192","","","","","","0.902","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505782","35.831","0.004","6.1603","0.0008","17.0632","0.0017","90","","90.397","0.008","90","","3766.3","0.7","183","2","183","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C40 H24.4 Cl7.6 O6 -","- C40 H24.4 Cl7.6 O6 -","- C160 H97.6 Cl30.4 O24 -","4","1","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Williams, David J.","Synthesis of a Catechol-Based Poly(ether ether ketone) (“o-PEEK”) by Classical Step-Growth Polymerization and by Entropically Driven Ring-Opening Polymerization of Macrocyclic Oligomers","Macromolecules","2006","39","19","6467","","10.1021/ma060885k","","","1.54178","CuKα","","0.0866","0.0579","","","0.148","0.1627","","","","","","1.024","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505783","24.637","0.005","14.6342","0.0007","17.525","0.003","90","","114.067","0.014","90","","5769.2","1.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C76 H48 O12 -","- C76 H48 O12 -","- C304 H192 O48 -","4","0.5","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Williams, David J.","Synthesis of a Catechol-Based Poly(ether ether ketone) (“o-PEEK”) by Classical Step-Growth Polymerization and by Entropically Driven Ring-Opening Polymerization of Macrocyclic Oligomers","Macromolecules","2006","39","19","6467","","10.1021/ma060885k","","","1.54178","CuKα","","0.0678","0.0497","","","0.1259","0.1402","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505784","11.804","0.0001","12.783","0.0001","19.755","0.0002","90","","90.974","0.001","90","","2980.41","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Cl2 N4 O8 Ti -","- C25 H36 Cl2 N4 O8 Ti -","- C100 H144 Cl8 N16 O32 Ti4 -","4","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.0536","0.0472","","","0.1265","0.1313","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505785","25.548","0.0001","25.548","0.0001","18.319","0.0001","90","","90","","90","","11956.8","0.09","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C30 H40 N2 O4 Ti -","- C30 H40 N2 O4 Ti -","- C480 H640 N32 O64 Ti16 -","16","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.0621","0.0484","","","0.1287","0.1476","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505786","13.33","0.0003","18.809","0.0004","18.947","0.0004","102.409","0.001","101.825","0.001","105.297","0.001","4299.09","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H135 N4 O8 Ti2 -","- C87 H135 N4 O8 Ti2 -","- C174 H270 N8 O16 Ti4 -","2","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.1444","0.0992","","","0.1698","0.1849","","","","","","1.175","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505787","14.585","0.0002","14.293","0.0002","15.668","0.0002","90","","109.707","0.001","90","","3074.9","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N2 O4 Zr -","- C30 H40 N2 O4 Zr -","- C120 H160 N8 O16 Zr4 -","4","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.0915","0.0741","","","0.2152","0.2343","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505788","11.079","0.0001","20.281","0.0002","18.947","0.0002","90","","97.383","0.001","90","","4221.97","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 N2 O4 Zr -","- C42 H64 N2 O4 Zr -","- C168 H256 N8 O16 Zr4 -","4","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.0728","0.0501","","","0.0905","0.0976","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505789","11.1038","0.0002","20.2199","0.0003","18.9272","0.0003","90","","97.343","0.001","90","","4214.64","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 Hf N2 O4 -","- C42 H64 Hf N2 O4 -","- C168 H256 Hf4 N8 O16 -","4","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.0649","0.0323","","","0.0618","0.0692","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505790","12.593","0.0002","9.041","0.0001","36.256","0.0006","90","","90","","90","","4127.87","0.11","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C192 H224 N16 O16 -","8","2","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.1141","0.0495","","","0.1044","0.1247","","","","","","0.983","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505791","11.714","0.001","18.289","0.001","20.855","0.001","90","","90","","90","","4467.9","0.5","173","","173","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H69 Al2 Nd O3 -","- C42 H69 Al2 Nd O3 -","- C168 H276 Al8 Nd4 O12 -","4","1","","Fischbach, Andreas; Meermann, Christian; Eickerling, Georg; Scherer, Wolfgang; Anwander, Reiner","Discrete Lanthanide Aryl(alk)oxide Trimethylaluminum Adducts as Isoprene Polymerization Catalysts","Macromolecules","2006","39","20","6811","","10.1021/ma061149j","","","0.56087","AgKα","","0.0557","0.0436","","","0.0759","0.0795","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505792","10.353","0.0006","16.3085","0.001","21.7857","0.0013","83.888","0.001","80.796","0.001","76.109","0.001","3515.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H48 Al2 F30 O5 Zr -","- C76 H48 Al2 F30 O5 Zr -","- C152 H96 Al4 F60 O10 Zr2 -","2","1","","Ning, Yalan; Chen, Eugene Y.-X.","Diastereospecific Ion-Pairing Polymerization of Functionalized Alkenes by Metallocene/Lewis Acid Hybrid Catalysts","Macromolecules","2006","39","21","7204","","10.1021/ma061687w","","","0.71073","MoKα","","0.1276","0.0529","","","0.0878","0.1078","","","","","","0.867","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505793","25.502","0.003","7.851","0.001","16.882","0.003","90","","102.4","0.01","90","","3301.2","0.8","223","","223","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 Cl2 N2 O2 Zr -","- C32 H44 Cl2 N2 O2 Zr -","- C128 H176 Cl8 N8 O8 Zr4 -","4","0.5","","Terao, Hiroshi; Ishii, Sei-ichi; Saito, Junji; Matsuura, Sadahiko; Mitani, Makoto; Nagai, Naoshi; Tanaka, Hidetsugu; Fujita, Terunori","Phenoxycycloalkylimine Ligated Zirconium Complexes for Ethylene Polymerization: Formation of Vinyl-Terminated Low Molecular Weight Polyethylenes with High Efficiency","Macromolecules","2006","39","25","8584","","10.1021/ma062214s","","","0.7107","MoKα","","0.0286","0.0286","","","0.0292","0.0292","","","","","","1.897","","","","has coordinates","134271","2020-10-21","18:00:00",""
"1505794","23.367","0.002","23.367","0.002","14.368","0.002","90","","90","","90","","7845.2","1.4","233.2","","233.2","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C34 H48 Cl2 N2 O2 Zr -","- C34 H48 Cl2 N2 O2 Zr -","- C272 H384 Cl16 N16 O16 Zr8 -","8","0.5","","Terao, Hiroshi; Ishii, Sei-ichi; Saito, Junji; Matsuura, Sadahiko; Mitani, Makoto; Nagai, Naoshi; Tanaka, Hidetsugu; Fujita, Terunori","Phenoxycycloalkylimine Ligated Zirconium Complexes for Ethylene Polymerization: Formation of Vinyl-Terminated Low Molecular Weight Polyethylenes with High Efficiency","Macromolecules","2006","39","25","8584","","10.1021/ma062214s","","","0.7107","MoKα","","0.0726","0.0726","","","0.1214","0.1214","","","","","","1.167","","","","has coordinates","134271","2020-10-21","18:00:00",""
"1505795","17.131","0.004","22.418","0.005","15.14","0.003","93.28","0.02","92.61","0.02","72.34","0.02","5529","2","223.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C124 H158 Cl4 N4 O5 Zr2 -","- C124 H144 Cl4 N4 O5 Zr2 -","- C248 H288 Cl8 N8 O10 Zr4 -","2","1","","Terao, Hiroshi; Ishii, Sei-ichi; Saito, Junji; Matsuura, Sadahiko; Mitani, Makoto; Nagai, Naoshi; Tanaka, Hidetsugu; Fujita, Terunori","Phenoxycycloalkylimine Ligated Zirconium Complexes for Ethylene Polymerization: Formation of Vinyl-Terminated Low Molecular Weight Polyethylenes with High Efficiency","Macromolecules","2006","39","25","8584","","10.1021/ma062214s","","","0.7107","MoKα","","","0.059","","","","0.17","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505796","7.477","0.0015","11.075","0.002","33.972","0.007","90","","90","","90","","2813.1","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","14-benzyl-6,11-dihydroxy-5,7,13-trimethyl-12-methylene- 5,6,7,8,10a,11,12,13,13a,14,15,16-dodecahydro-2H- oxacyclododecino[2,3-d]isoindole-2,16-dione","","- C29 H38 N O6 -","- C29 H38 N O6 -","- C116 H152 N4 O24 -","4","1","","Liu, Rui; Gu, Qianqun; Zhu, Weiming; Cui, Chengbin; Fan, Guotao; Fang, Yuchun; Zhu, Tianjiao; Liu, Hongbing","10-Phenyl-[12]-cytochalasins Z7, Z8, and Z9 from the marine-derived fungus Spicaria elegans.","Journal of natural products","2006","69","6","871","875","10.1021/np050201m","","","0.71073","MoKα","","0.0832","0.081","","","0.1092","0.1119","","","","","","1.132","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505797","6.8007","0.0007","11.2573","0.0011","24.747","0.002","90","","90","","90","","1894.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Zhang, Hua; Yang, Sheng-Ping; Fan, Cheng-Qi; Ding, Jian; Yue, Jian-Min","Daphniyunnines A-E, alkaloids from Daphniphyllum yunnanense.","Journal of natural products","2006","69","4","553","557","10.1021/np050490e","","","0.71073","MoKα","","0.064","0.0502","","","0.1012","0.1066","","","","","","0.922","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505798","6.382","0.002","19.008","0.007","20.534","0.008","90","","90","","90","","2491","1.5","93","1","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Br O8 -","- C28 H29 Br O8 -","- C112 H116 Br4 O32 -","4","1","","Tidgewell, Kevin; Harding, Wayne W.; Lozama, Anthony; Cobb, Howard; Shah, Kushal; Kannan, Pavitra; Dersch, Christina M.; Parrish, Damon; Deschamps, Jeffrey R.; Rothman, Richard B.; Prisinzano, Thomas E.","Synthesis of salvinorin A analogues as opioid receptor probes.","Journal of natural products","2006","69","6","914","918","10.1021/np060094b","","","0.71073","MoKα","","0.2137","0.0685","","","0.096","0.1311","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505799","7.913","0.0016","9.484","0.0019","26.271","0.005","90","","90","","90","","1971.6","0.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl(1S,3S,10S,14S,18S)-20-hydroxy-18- (hydroxymethyl)-14-methyl-12-azahexacyclo [10.6.1.11,4.07,20.010,18.015,19]icosane-3-carboxylate","","- C23 H35 N O4 -","- C23 H35 N O4 -","- C92 H140 N4 O16 -","4","1","","Mu, Shu-Zhen; Wang, Ye; He, Hong-Ping; Yang, Xian-Wen; Wang, Yue-Hu; Di, Ying-Tong; Lu, Yang; Chang, Ying; Hao, Xiao-Jiang","Daphnioldhanins A-C, alkaloids from Daphniphyllum oldhami","Journal of natural products","2006","69","7","1065","1069","10.1021/np060131z","","","0.71073","MoKα","","0.0749","0.0749","","","0.1806","0.1806","","","","","","1.39","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505800","7.3291","0.0002","14.1613","0.0006","15.2631","0.0007","108.199","0.002","101.926","0.002","98.204","0.002","1435.36","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","{5-[(2,4-Dinitro-phenyl)-hydrazono]-2-methyl-cyclopent-1-enyl}-methanol","","- C13 H14 N4 O5 -","- C13 H14 N4 O5 -","- C52 H56 N16 O20 -","4","2","","Chomcheon, Porntep; Sriubolmas, Nongluksna; Wiyakrutta, Suthep; Ngamrojanavanich, Nattaya; Chaichit, Narongsak; Mahidol, Chulabhorn; Ruchirawat, Somsak; Kittakoop, Prasat","Cyclopentenones, scaffolds for organic syntheses produced by the endophytic fungus mitosporic dothideomycete sp. LRUB20.","Journal of natural products","2006","69","9","1351","1353","10.1021/np060148h","","","0.71073","MoKα","","0.2672","0.0831","","","0.2112","0.2951","","","","","","0.911","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505801","6.2085","0.0012","9.7196","0.0019","15.606","0.003","90","","95.4","0.03","90","","937.6","0.3","293","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","","Huang, Ho-Cheng; Ahmed, Atallah F.; Su, Jui-Hsin; Chao, Chih-Hua; Wu, Yang-Chang; Chiang, Michael Y.; Sheu, Jyh-Horng","Crassolides A-F, cembranoids with a trans-fused lactone from the soft coral Sarcophyton crassocaule.","Journal of natural products","2006","69","11","1554","1559","10.1021/np060182w","","","0.71073","MoKα","","0.0923","0.0412","","","0.1004","0.1199","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505802","24.2636","0.0009","8.0884","0.0005","9.3582","0.0006","90","","104.802","0.004","90","","1775.63","0.17","183","2","183","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","","Hölscher, Dirk; Reichert, Matthias; Görls, Hilmar; Ohlenschläger, Oliver; Bringmann, Gerhard; Schneider, Bernd","Monolaterol, the first configurationally assigned phenylphenalenone derivative with a stereogenic center at C-9, from Monochoria elata.","Journal of natural products","2006","69","11","1614","1617","10.1021/np060192x","","","0.71073","MoKα","","0.0765","0.0495","","","0.1003","0.1136","","","","","","1.011","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1505803","6.564","0.0002","15.654","0.0006","16.701","0.0006","94.618","0.0005","92.568","0.0005","100.754","0.0005","1677.32","0.1","100","","","","","","","","","","Local laboratory","4","P 1","P 1","1","","","","- C36 H38 N2 O10 -","- C36 H38 N2 O10 -","- C72 H76 N4 O20 -","2","2","","Quang, Dang Ngoc; Stadler, Marc; Fournier, Jacques; Asakawa, Yoshinori","Carneic acids A and B, chemotaxonomically significant antimicrobial agents from the xylariaceous ascomycete Hypoxylon carneum.","Journal of natural products","2006","69","8","1198","1202","10.1021/np0602057","","","0.71073","MoKα","","0.1049","0.0869","","","0.2313","0.252","","","","","","1.027","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505804","12.911","0.008","7.138","0.005","15.565","0.009","90","","92.7","0.02","90","","1432.9","1.6","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O5 -","- C30 H50 O5 -","- C60 H100 O10 -","2","1","","Grougnet, Raphaël; Magiatis, Prokopios; Mitaku, Sofia; Loizou, Stella; Moutsatsou, Paraskevi; Terzis, Aris; Cabalion, Pierre; Tillequin, François; Michel, Sylvie","seco-Cycloartane triterpenes from Gardenia aubryi.","Journal of natural products","2006","69","12","1711","1714","10.1021/np060273t","","","1.5418","CuKα","","0.0686","0.0534","","","0.1361","0.1513","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505805","9.7649","0.0009","4.8852","0.0003","11.8369","0.0011","90","","99.31","0.003","90","","557.22","0.08","298","","","","","","","","","","Natural Product","3","P 1 21 1","P 2yb","4","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C26 H24 O8 -","2","1","","Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Thinapong, Pongchan; Sophasan, Samaisukh; Santisuk, Thawatchai; Reutrakul, Vichai","Cytotoxic styryl-lactones from the leaves and twigs of Polyalthia crassa.","Journal of natural products","2006","69","12","1728","1733","10.1021/np060323u","","","0.71073","MoKα","","0.0441","0.0375","","","0.0928","0.0986","","","","","","1.076","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505806","6.0723","0.0004","12.0285","0.0006","25.741","0.002","90","","90","","90","","1880.1","0.2","298","","","","","","","","","","natural Product","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C88 H80 O24 -","4","1","","Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Thinapong, Pongchan; Sophasan, Samaisukh; Santisuk, Thawatchai; Reutrakul, Vichai","Cytotoxic styryl-lactones from the leaves and twigs of Polyalthia crassa.","Journal of natural products","2006","69","12","1728","1733","10.1021/np060323u","","","0.71073","MoKα","","0.0763","0.0505","","","0.1055","0.1175","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505807","8.978","0.0013","8.978","0.0013","33.622","0.002","90","","90","","120","","2347","0.5","296","1","296","1","","","","","","","","3","P 32","P 32","145","","","","- C30 H40 O13 -","- C30 H40 O13 -","- C90 H120 O39 -","3","1","","Zhao, Yu; Wang, Fu-Sheng; Peng, Li-Yan; Li, Xiao-Li; Xu, Gang; Luo, Xiao-Xin; Lu, Yang; Wu, Li; Zheng, Qi-Tai; Zhao, Qin-Shi","Taxoids from Taxus chinensis.","Journal of natural products","2006","69","12","1813","1815","10.1021/np060345g","","","0.71073","MoKα","","0.067","0.0626","","","0.214","0.2191","","","","","","1.197","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505808","12.3702","0.0012","8.451","0.0009","19.563","0.002","90","","90","","90","","2045.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Br N O2 -","- C10 H10 Br N O2 -","- C80 H80 Br8 N8 O16 -","8","1","","Suárez-Castillo, Oscar R; Beiza-Granados, Lidia; Meléndez-Rodríguez, Myriam; Alvarez-Hernández, Alejandro; Morales-Ríos, Martha S; Joseph-Nathan, Pedro","Synthesis of bromoindole alkaloids from Laurencia brongniartii.","Journal of natural products","2006","69","11","1596","1600","10.1021/np060406a","","","0.71073","MoKα","","0.0752","0.0291","","","0.0568","0.0647","","","","","","0.843","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505809","7.981","0.001","22.703","0.004","11.227","0.002","90","","92.995","0.003","90","","2031.5","0.6","163.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 I N O5 -","- C19 H24 I N O5 -","- C76 H96 I4 N4 O20 -","4","1","","Grundl, Marc A.; Trauner, Dirk","Synthetic studies toward the haouamines.","Organic letters","2006","8","1","23","25","10.1021/ol052262h","","","0.7107","MoKα","","0.0637","0.0338","","0.0421","","0.0369","","","","","","1.312","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505810","32.3106","0.0008","12.0276","0.0003","12.5523","0.0003","90","","90","","90","","4878.1","0.2","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H26 O2 P2 -","- C31 H26 O2 P2 -","- C248 H208 O16 P16 -","8","0.5","","Vandyck, Koen; Matthys, Bavo; Willen, Mario; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Johan","Rhodium-Catalyzed Asymmetric Conjugate Additions of Boronic Acids to enones using DIPHONANE: a novel chiral bisphosphine ligand.","Organic letters","2006","8","3","363","366","10.1021/ol0522788","","","1.54178","CuKα","","0.0305","0.0296","","","0.0722","0.0727","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505811","9.015","0.006","9.235","0.006","32.8","0.02","90","","90","","90","","2731","3","100","2","373","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 B2 P2 -","- C31 H36 B2 P2 -","- C124 H144 B8 P8 -","4","1","","Vandyck, Koen; Matthys, Bavo; Willen, Mario; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Johan","Rhodium-Catalyzed Asymmetric Conjugate Additions of Boronic Acids to enones using DIPHONANE: a novel chiral bisphosphine ligand.","Organic letters","2006","8","3","363","366","10.1021/ol0522788","","","1.54178","CuKα","","0.0629","0.0484","","","0.1002","0.1041","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505812","12.41","0.0012","12.8373","0.0012","25.498","0.002","90","","92.49","0.002","90","","4058.3","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Cl12 N2 O16 -","- C76 H86 Cl12 N2 O16 -","- C152 H172 Cl24 N4 O32 -","2","0.5","","Zong, Qian-Shou; Chen, Chuan-Feng","Novel triptycene-based cylindrical macrotricyclic host: synthesis and complexation with paraquat derivatives.","Organic letters","2006","8","2","211","214","10.1021/ol052325w","","","0.71073","MoKα","","0.1314","0.0873","","","0.2583","0.307","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505813","15.303","0.002","16.558","0.002","19.187","0.003","90","","97.376","0.002","90","","4821.5","1.1","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C85.5 H102.5 Cl F12 N2.5 O17 P2 -","- C85.5 H102.5 Cl F12 N2.5 O17 P2 -","- C171 H205 Cl2 F24 N5 O34 P4 -","2","0.5","","Zong, Qian-Shou; Chen, Chuan-Feng","Novel triptycene-based cylindrical macrotricyclic host: synthesis and complexation with paraquat derivatives.","Organic letters","2006","8","2","211","214","10.1021/ol052325w","","","0.71073","MoKα","","0.1912","0.0996","","","0.2858","0.3641","","","","","","1.106","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505814","13.944","0.003","14.295","0.004","15.3","0.004","82.786","0.005","66.607","0.004","63.871","0.004","2508.5","1.1","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C95 H120 Cl2 F12 N2 O16 P2 -","- C95 H120 Cl2 F12 N2 O16 P2 -","- C95 H120 Cl2 F12 N2 O16 P2 -","1","0.5","","Zong, Qian-Shou; Chen, Chuan-Feng","Novel triptycene-based cylindrical macrotricyclic host: synthesis and complexation with paraquat derivatives.","Organic letters","2006","8","2","211","214","10.1021/ol052325w","","","0.71073","MoKα","","0.2023","0.1113","","","0.325","0.3954","","","","","","1.198","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505815","7.3574","0.0015","15.976","0.003","16.707","0.003","90","","90","","90","","1963.8","0.6","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 B Fe N O P -","- C20 H25 B Fe N O P -","- C80 H100 B4 Fe4 N4 O4 P4 -","4","1","","Vinci, Daniele; Mateus, Nuno; Wu, Xiaofeng; Hancock, Fred; Steiner, Alexander; Xiao, Jianliang","Oxazaphospholidine-oxide as an efficient ortho-directing group for the diastereoselective deprotonation of ferrocene.","Organic letters","2006","8","2","215","218","10.1021/ol0523704","","","0.71073","MoKα","","0.0672","0.0351","","","0.0469","0.0517","","","","","","0.76","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505816","11.2546","0.0012","7.2839","0.0008","23.607","0.003","90","","102.734","0.002","90","","1887.6","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 Fe N O2 P -","- C21 H24 Fe N O2 P -","- C84 H96 Fe4 N4 O8 P4 -","4","2","","Vinci, Daniele; Mateus, Nuno; Wu, Xiaofeng; Hancock, Fred; Steiner, Alexander; Xiao, Jianliang","Oxazaphospholidine-oxide as an efficient ortho-directing group for the diastereoselective deprotonation of ferrocene.","Organic letters","2006","8","2","215","218","10.1021/ol0523704","","","0.71073","MoKα","","0.0484","0.0421","","","0.0892","0.0911","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505817","19.286","0.002","8.198","0.002","12.114","0.002","90","","98.967","0.01","90","","1891.9","0.6","298.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H24 N2 O5 S -","- C18 H24 N2 O5 S -","- C72 H96 N8 O20 S4 -","4","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0484","","","","0.0609","","","","","","1.706","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505818","26.507","0.007","18.459","0.003","12.035","0.002","90","","106.22","0.02","90","","5654","2","298.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N2 O7 S -","- C24 H29 N2 O7 S -","- C192 H232 N16 O56 S8 -","8","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0751","","","","0.1294","","","","","","1.97","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505819","11.972","0.002","12.187","0.003","17.556","0.003","90","","90","","90","","2561.5","0.9","298.2","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H32 N2 O7 S -","- C25 H32 N2 O7 S -","- C100 H128 N8 O28 S4 -","4","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0407","","","","0.0514","","","","","","1.377","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505820","8.0158","0.0016","6.5155","0.0013","26.09","0.005","90","","90.072","0.003","90","","1362.6","0.5","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","Munegumi, Takeshi; Azumaya, Isao; Kato, Takako; Masu, Hyuma; Saito, Shinichi","[3+2] cross-coupling reactions of aziridines with isocyanates catalyzed by nickel(II) iodide.","Organic letters","2006","8","3","379","382","10.1021/ol052417l","","","0.71073","MoKα","","0.0876","0.0394","","","0.0825","0.0895","","","","","","0.712","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505821","14.16","0.01","9.62","0.01","22.15","0.01","90","","92","0.05","90","","3015","4","293.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 F12 N6 O8 S4 -","- C17 H18 F12 N6 O8 S4 -","- C68 H72 F48 N24 O32 S16 -","4","0.5","","Patil, Mahesh L.; Rao, C. V. Laxman; Yonezawa, Kohji; Takizawa, Shinobu; Onitsuka, Kiyotaka; Sasai, Hiroaki","Design and synthesis of novel chiral spiro ionic liquids.","Organic letters","2006","8","2","227","230","10.1021/ol052466y","","","0.7107","MoKα","","","0.0652","","","","0.1796","","","","","","2.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505822","11.681","0.005","19.082","0.009","6.506","0.002","90","","90","","90","","1450.2","1","253","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O S2 -","- C15 H24 O S2 -","- C60 H96 O4 S8 -","4","1","","Ishii, Akihiko; Ohishi, Masayuki; Matsumoto, Kimiyo; Takayanagi, Toshiyuki","Synthesis and properties of a dithiirane trans-1,2-dioxide, a three-membered vic-disulfoxide.","Organic letters","2006","8","1","91","94","10.1021/ol052570f","","","1.54178","CuKα","","0.052","0.0516","","","0.1351","0.1355","","","","","","1.076","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505823","11.504","0.0009","13.877","0.0012","19.44","0.002","90","","111.041","0.004","90","","2896.5","0.5","153","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 O2 S2 -","- C15 H24 O2 S2 -","- C120 H192 O16 S16 -","8","2","","Ishii, Akihiko; Ohishi, Masayuki; Matsumoto, Kimiyo; Takayanagi, Toshiyuki","Synthesis and properties of a dithiirane trans-1,2-dioxide, a three-membered vic-disulfoxide.","Organic letters","2006","8","1","91","94","10.1021/ol052570f","","","0.71073","MoKα","","0.1755","0.0968","","","0.2123","0.241","","","","","","1.035","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505824","26.119","0.003","11.3717","0.0013","25.521","0.003","90","","100.205","0.002","90","","7460.3","1.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound6","chloro(2,6-dichloropyrimidin-4-yl)bis(triphenylphosphoranyl)palladium","","- C40 H31 Cl3 N2 P2 Pd -","- C40 H31 Cl3 N2 P2 Pd -","- C320 H248 Cl24 N16 P16 Pd8 -","8","2","","Peng, Zhi-Hui; Journet, Michel; Humphrey, Guy","A highly regioselective amination of 6-aryl-2,4-dichloropyrimidine.","Organic letters","2006","8","3","395","398","10.1021/ol052578p","","","0.71073","MoKα","","0.1119","0.0552","","","0.1054","0.1252","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505825","7.9843","0.0001","13.9102","0.0002","15.4291","0.0002","90","","91.059","0.001","90","","1713.31","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","cyclopentylphosphorinane","","","- C14 H28 B F4 P -","- C14 H28 B F4 P -","- C56 H112 B4 F16 P4 -","4","2","","Brenstrum, Tim; Clattenburg, Julie; Britten, James; Zavorine, Serguei; Dyck, Jeff; Robertson, Alan J.; McNulty, James; Capretta, Alfredo","Phosphorinanes as ligands for palladium-catalyzed cross-coupling chemistry.","Organic letters","2006","8","1","103","105","10.1021/ol052579h","","","1.54178","CuKα","","0.0591","0.0571","","","0.1632","0.1679","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505826","13.991","0.003","13.811","0.003","32.54","0.007","90","","102.17","0.03","90","","6146","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C87 H54 O12 -","- C87 H54 O12 -","- C348 H216 O48 -","4","1","","Huang, Shaohua; Wang, Fudong; Gan, Liangbing; Yuan, Gu; Zhou, Jiang; Zhang, Shiwei","Preparation of fullerendione through oxidation of vicinal fullerendiol and intramolecular coupling of the dione to form hemiketal/ketal moieties.","Organic letters","2006","8","2","277","279","10.1021/ol052602z","","","0.71073","MoKα","","0.1562","0.0719","","","0.172","0.1975","","","","","","1.011","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1505827","10.73","0.01","12.94","0.02","16.36","0.02","90","","93.7","0.06","90","","2267","5","223.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N O -","- C27 H33 N O -","- C108 H132 N4 O4 -","4","1","","Kusama, Hiroyuki; Miyashita, Yuichi; Takaya, Jun; Iwasawa, Nobuharu","Pt(II)- or Au(III)-catalyzed [3+2] cycloaddition of metal-containing azomethine ylides: highly efficient synthesis of the mitosene skeleton.","Organic letters","2006","8","2","289","292","10.1021/ol052610f","","","0.7107","MoKα","","","0.0564","","","","0.1899","","","","","","0.919","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505828","10.055","0.002","14.345","0.003","15.008","0.003","90","","102.79","0.03","90","","2111","0.8","106","2","106","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O5 S -","- C22 H30 O5 S -","- C88 H120 O20 S4 -","4","1","","Liu, Haibo; Siegel, Dionicio R.; Danishefsky, Samuel J.","Studies directed toward the synthesis of terreulactone A: rapid construction of the A, B, C rings.","Organic letters","2006","8","3","423","425","10.1021/ol052618p","","","0.71073","MoKα","","0.1066","0.0551","","","0.1068","0.1236","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505829","9.6531","0.001","10.8282","0.0011","18.872","0.002","90","","101.196","0.002","90","","1935.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 Cl N2 O2 -","- C20 H29 Cl N2 O2 -","- C80 H116 Cl4 N8 O8 -","4","1","","Liu, Yanqin; Luo, Shengjun; Fu, Xingnian; Fang, Fang; Zhuang, Zeyang; Xiong, Wanting; Jia, Xueshun; Zhai, Hongbin","Facile construction of the pentacyclic framework of subincanadine B. Synthesis of 20-deethylenylated subincanadine B and 19,20-dihydrosubincanadine B.","Organic letters","2006","8","1","115","118","10.1021/ol0526367","","","0.71073","MoKα","","0.0828","0.0577","","","0.1459","0.159","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505830","8.5858","0.0006","11.5065","0.0008","11.7576","0.0008","72.062","0.001","82.806","0.001","72.604","0.001","1053.85","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 O2 S -","- C25 H24 O2 S -","- C50 H48 O4 S2 -","2","1","","Xie, Meihua; Wang, Jialiang; Gu, Xiaoxia; Sun, Ying; Wang, Shaowu","Highly regio- and stereoselective synthesis of tetrasubstituted olefins by the three-component tandem reaction of allylzinc bromide, acetylenic sulfone, and halohydrocarbon.","Organic letters","2006","8","3","431","434","10.1021/ol052640i","","","0.71073","MoKα","","0.0791","0.0744","","","0.1852","0.1898","","","","","","1.153","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505831","7.1616","0.0005","13.2625","0.0011","13.4547","0.0011","94.215","0.003","100.102","0.003","96.192","0.003","1245.2","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 F4 O2 -","- C30 H32 F4 O2 -","- C60 H64 F8 O4 -","2","1","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.0648","0.0483","","","0.125","0.1368","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505832","4.9461","0.0015","9.748","0.003","28.705","0.009","92.905","0.009","93.547","0.009","92.621","0.009","1377.9","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H40 F4 -","- C34 H40 F4 -","- C68 H80 F8 -","2","1","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.0792","0.0621","","","0.1483","0.1568","","","","","","1.103","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505833","7.547","0.003","11.965","0.006","14.843","0.007","79.33","0.012","82.968","0.012","79.947","0.012","1291.3","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 F4 O2 -","- C30 H32 F4 O2 -","- C60 H64 F8 O4 -","2","1","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.1363","0.0751","","","0.204","0.2491","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505834","7.9507","0.0013","16.883","0.003","22.692","0.004","107.104","0.005","99.04","0.005","102.78","0.005","2757.3","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H40 F4 -","- C34 H40 F4 -","- C136 H160 F16 -","4","2","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.1291","0.0534","","","0.1028","0.1275","","","","","","1.004","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505835","13.282","0.0003","14.2815","0.0003","18.9888","0.0005","90","","102.049","0.001","90","","3522.57","0.14","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 F6 N2 O8 P -","- C31 H42 F6 N2 O8 P -","- C124 H168 F24 N8 O32 P4 -","4","1","","Cheng, Pin-Nan; Lin, Chi-Feng; Liu, Yi-Huang; Lai, Chien-Chen; Peng, Shie-Ming; Chiu, Sheng-Hsien","[3]Pseudorotaxane-like complexes formed between bipyridinium dications and bis-p-xylyl[26]crown-6.","Organic letters","2006","8","3","435","438","10.1021/ol052679n","","","0.71073","MoKα","","0.1736","0.1282","","","0.3755","0.4177","","","","","","1.575","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505836","13.6759","0.0003","15.5595","0.0003","17.7584","0.0004","92","0.001","91.004","0.0012","110.722","0.0011","3530.4","0.13","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H88 F12 N2 O7 P2 -","- C67 H88 F12 N2 O7 P2 -","- C134 H176 F24 N4 O14 P4 -","2","1","","Cheng, Pin-Nan; Lin, Chi-Feng; Liu, Yi-Huang; Lai, Chien-Chen; Peng, Shie-Ming; Chiu, Sheng-Hsien","[3]Pseudorotaxane-like complexes formed between bipyridinium dications and bis-p-xylyl[26]crown-6.","Organic letters","2006","8","3","435","438","10.1021/ol052679n","","","0.71073","MoKα","","0.1853","0.1145","","","0.3132","0.3903","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505837","16.1963","0.0018","17.0849","0.0019","16.26","0.0018","90","","99.234","0.002","90","","4441","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tert-Butyl 2-(3-(benzylsulfonyl)-1-methyl-2-oxo-1,2,3,4,- tetrahydroquinolin-4-yl)acetate","","- C23 H27 N O5 S -","- C23 H27 N O5 S -","- C184 H216 N8 O40 S8 -","8","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.0645","0.0474","","","0.122","0.1315","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505838","17.2061","0.0008","16.3253","0.0008","16.2379","0.0008","90","","102.691","0.001","90","","4449.7","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 F2 N O5 S -","- C23 H25 F2 N O5 S -","- C184 H200 F16 N8 O40 S8 -","8","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.039","0.0339","","","0.0896","0.0935","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505839","14.9879","0.0017","13.5965","0.0016","8.7184","0.001","90","","95.95","0.002","90","","1767.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.0658","0.0446","","","0.1063","0.1167","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505840","10.8283","0.0013","11.0456","0.0013","12.277","0.002","103.161","0.002","113.007","0.002","103.923","0.001","1223.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 N O5 S -","- C26 H31 N O5 S -","- C52 H62 N2 O10 S2 -","2","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.0641","0.0395","","","0.0798","0.0851","","","","","","0.879","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505841","7.873","0.002","8.231","0.002","18.935","0.005","90","","90","","90","","1227","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R,4S,5S)-9-(4-hydroxymethyl-3-oxabicyclo[3.2.0]hept-2-yl)adenine","","- C12 H15 N5 O2 -","- C12 H15 N5 O2 -","- C48 H60 N20 O8 -","4","1","","Alibés, Ramon; Alvárez-Larena, Angel; de March, Pedro; Figueredo, Marta; Font, Josep; Parella, Teodor; Rustullet, Albert","Synthesis and conformational analysis of new cyclobutane-fused nucleosides.","Organic letters","2006","8","3","491","494","10.1021/ol052794y","","","0.71069","MoKα","","0.0348","0.0291","","","0.0752","0.0762","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505842","10.9949","0.0013","8.8953","0.0011","21.764","0.003","90","","95.626","0.003","90","","2118.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N O2 S -","- C23 H27 N O2 S -","- C92 H108 N4 O8 S4 -","4","1","","Lu, Lianghua; Chen, Guofei; Ma, Shengming","Ring-opening cyclization of alkylidenecyclopropyl ketones with amines. An efficient synthesis of 2,3,4-trisubstituted pyrroles.","Organic letters","2006","8","5","835","838","10.1021/ol052797a","","","0.71073","MoKα","","0.1469","0.0535","","","0.0943","0.1181","","","","","","0.8","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505843","7.7125","0.0008","5.1434","0.0005","11.7032","0.0011","90","","102.305","0.003","90","","453.58","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O -","- C10 H11 Br O -","- C20 H22 Br2 O2 -","2","1","","Ros, Abel; Magriz, Antonio; Dietrich, Hansjörg; Fernández, Rosario; Alvarez, Eleuterio; Lassaletta, José M","Enantioselective synthesis of vicinal halohydrins via dynamic kinetic resolution.","Organic letters","2006","8","1","127","130","10.1021/ol052821k","","","0.71073","MoKα","","0.0455","0.0413","","","0.099","0.1007","","","","","","1.059","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505844","23.7316","0.0016","6.1829","0.0004","15.0644","0.0011","90","","103.579","0.002","90","","2148.6","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C6 H11 Br O -","- C6 H11 Br O -","- C72 H132 Br12 O12 -","12","3","","Ros, Abel; Magriz, Antonio; Dietrich, Hansjörg; Fernández, Rosario; Alvarez, Eleuterio; Lassaletta, José M","Enantioselective synthesis of vicinal halohydrins via dynamic kinetic resolution.","Organic letters","2006","8","1","127","130","10.1021/ol052821k","","","0.71073","MoKα","","0.0463","0.0307","","","0.0636","0.0692","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505845","15.469","0.0017","7.263","0.003","22.129","0.007","90","","90","0.006","90","","2486.2","1.3","268","2","268","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","1","","Jung, Cheol-Kyu; Garner, Susan A.; Krische, Michael J.","Hydrogen-mediated aldol reductive coupling of vinyl ketones catalyzed by rhodium: high syn-selectivity through the effect of tri-2-furylphosphine.","Organic letters","2006","8","3","519","522","10.1021/ol052859x","","","0.71073","MoKα","","0.2741","0.1036","","","0.1515","0.2154","","","","","","1.194","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505846","13.1593","0.0003","13.2888","0.0006","6.9813","0.0006","90","","100.367","0.003","90","","1200.9","0.12","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Jung, Cheol-Kyu; Garner, Susan A.; Krische, Michael J.","Hydrogen-mediated aldol reductive coupling of vinyl ketones catalyzed by rhodium: high syn-selectivity through the effect of tri-2-furylphosphine.","Organic letters","2006","8","3","519","522","10.1021/ol052859x","","","0.71073","MoKα","","0.2318","0.1881","","","0.1504","0.1552","","","","","","2.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505847","10.3385","0.0017","15.144","0.003","9.3743","0.0015","90","","109.245","0.003","90","","1385.7","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Nair, Vijay; Vellalath, Sreekumar; Poonoth, Manojkumar; Mohan, Resmi; Suresh, Eringathodi","N-heterocyclic carbene catalyzed reaction of enals and 1,2-dicarbonyl compounds: stereoselective synthesis of spiro gamma-butyrolactones.","Organic letters","2006","8","3","507","509","10.1021/ol052926n","","","0.71073","MoKα","","0.0791","0.0638","","","0.1432","0.1511","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505848","10.372","0.003","10.387","0.003","17.53","0.005","90","","98.978","0.005","90","","1865.4","0.9","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br N O4 -","- C21 H18 Br N O4 -","- C84 H72 Br4 N4 O16 -","4","1","","Nair, Vijay; Vellalath, Sreekumar; Poonoth, Manojkumar; Mohan, Resmi; Suresh, Eringathodi","N-heterocyclic carbene catalyzed reaction of enals and 1,2-dicarbonyl compounds: stereoselective synthesis of spiro gamma-butyrolactones.","Organic letters","2006","8","3","507","509","10.1021/ol052926n","","","0.71073","MoKα","","0.1141","0.069","","","0.1968","0.2551","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505849","20.9715","0.0016","39.437","0.003","13.8177","0.001","90","","90","","90","","11428","1.5","90","","90","","","","","","","","","10","P 21 21 2","P 2 2ab","18","","","","- C107 H90.5 Ag Cl9.5 F7.5 N4 O9.5 P4 Ru2 S2.5 -","- C107 H90.5 Ag Cl9.5 F7.5 N4 O9.5 P4 Ru2 S2.5 -","- C428 H362 Ag4 Cl38 F30 N16 O38 P16 Ru8 S10 -","4","1","","Mikami, Koichi; Wakabayashi, Kazuki; Aikawa, Kohsuke","""Achiral"" benzophenone ligand for highly enantioselective Ru catalysts in ketone hydrogenation.","Organic letters","2006","8","8","1517","1519","10.1021/ol052936o","","","0.71073","MoKα","","0.0821","0.0754","","","0.2099","0.2145","","","","","","1.145","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505850","7.553","0.001","10.746","0.002","13.435","0.002","90","","90","","90","","1090.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O4 S -","- C10 H12 O4 S -","- C40 H48 O16 S4 -","4","1","","Tang, Zhuo; Cun, Lin-Feng; Cui, Xin; Mi, Ai-Qiao; Jiang, Yao-Zhong; Gong, Liu-Zhu","Design of highly enantioselective organocatalysts based on molecular recognition.","Organic letters","2006","8","7","1263","1266","10.1021/ol0529391","","","0.71073","MoKα","","0.0478","0.0359","","","0.0826","0.086","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505851","5.814","0.001","13.696","0.002","16.114","0.002","90","","95.25","0.01","90","","1277.8","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Tang, Zhuo; Cun, Lin-Feng; Cui, Xin; Mi, Ai-Qiao; Jiang, Yao-Zhong; Gong, Liu-Zhu","Design of highly enantioselective organocatalysts based on molecular recognition.","Organic letters","2006","8","7","1263","1266","10.1021/ol0529391","","","0.71073","MoKα","","0.0814","0.0394","","","0.074","0.0812","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505852","4.5846","0.0005","11.1492","0.0013","30.445","0.004","90","","90","","90","","1556.2","0.3","568","2","568","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Ghosh, Rina; Chakraborty, Arijit; Maiti, Dilip K.; Puranik, Vedavati G.","Crystal or low molecular mass organogel based on sugar-derived chiral pyrano[2,3-b]naphtho[1,2-e]pyrans.","Organic letters","2006","8","6","1061","1064","10.1021/ol052963e","","","0.71073","MoKα","","0.0891","0.0453","","","0.095","0.1102","","","","","","0.978","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505853","12.3888","0.0007","12.427","0.0007","12.5757","0.0007","69.343","0.001","60.607","0.001","61.71","0.001","1467.06","0.14","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H84 N4 O2 Si4 -","- C54 H84 N4 O2 Si4 -","- C54 H84 N4 O2 Si4 -","1","0.5","","Miao, Shaobin; Smith, Mark D.; Bunz, Uwe H. F.","Synthesis of a peralkynylated pyrazino[2,3-g]quinoxaline.","Organic letters","2006","8","4","757","760","10.1021/ol0529851","","","0.71073","MoKα","","0.0576","0.0522","","","0.1494","0.156","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505854","38.747","0.002","13.9582","0.0008","15.0445","0.0009","90","","90","","90","","8136.6","0.8","150","1","150","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C76 H126 N4 Si6 -","- C76 H126 N4 Si6 -","- C304 H504 N16 Si24 -","4","0.5","","Miao, Shaobin; Smith, Mark D.; Bunz, Uwe H. F.","Synthesis of a peralkynylated pyrazino[2,3-g]quinoxaline.","Organic letters","2006","8","4","757","760","10.1021/ol0529851","","","0.71073","MoKα","","0.1113","0.0906","","","0.2179","0.235","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505855","7.72","0.02","26.56","0.08","9.43","0.04","90","","89.8","0.2","90","","1934","11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H17 Cr N O5 -","- C21 H17 Cr N O6 -","- C84 H68 Cr4 N4 O24 -","4","2","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.1976","0.1026","","","0.2551","0.3137","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505856","14.681","0.002","14.7727","0.0019","37.15","0.006","90","","90","","90","","8057","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cr N O5 -","- C22 H19 Cr N O5 -","- C352 H304 Cr16 N16 O80 -","16","2","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.1656","0.0597","","","0.1239","0.1602","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505857","16.371","0.003","7.3063","0.0012","17.618","0.003","90","","108.702","0.008","90","","1996","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cr N O5 -","- C22 H19 Cr N O5 -","- C88 H76 Cr4 N4 O20 -","4","1","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.0993","0.0544","","","0.1279","0.1452","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505858","7.0987","0.0012","43.266","0.007","10.568","0.0018","90","","91.741","0.003","90","","3244.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H62 N2 O4 -","- C30 H62 N2 O4 -","- C120 H248 N8 O16 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.1088","0.0615","","","0.1412","0.1634","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505859","7.0712","0.0005","45.852","0.003","10.6972","0.0007","90","","91.535","0.001","90","","3467.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H66 N2 O4 -","- C32 H66 N2 O4 -","- C128 H264 N8 O16 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.1312","0.071","","","0.1457","0.1693","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505860","10.5447","0.0011","13.6428","0.0015","29.18","0.003","90","","99.866","0.002","90","","4135.7","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 N4 O8 -","- C36 H76 N4 O8 -","- C144 H304 N16 O32 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.1061","0.0642","","","0.1407","0.158","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505861","10.7741","0.0007","12.4712","0.0008","14.9297","0.001","68.438","0.001","71.439","0.001","68.545","0.001","1696.74","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H60 N4 O8 -","- C32 H60 N3.956 O8 -","- C64 H120 N7.912 O16 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.058","0.0532","","","0.1339","0.1386","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505862","30.215","0.002","15.4057","0.0011","26.0418","0.0018","90","","110.101","0.001","90","","11383.6","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H204 N12 O24 -","- C108 H204 N12 O24 -","- C432 H816 N48 O96 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.0587","0.0526","","","0.1439","0.1482","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505863","15.069","0.003","24.79","0.006","25.46","0.006","114.553","0.004","91.187","0.004","102.178","0.005","8393","3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H84 F12 N2 O16 P2 -","- C70 H84 F12 N2 O16 P2 -","- C280 H336 F48 N8 O64 P8 -","4","2","","Han, Tao; Chen, Chuan-Feng","A triptycene-based bis(crown ether) host: complexation with both paraquat derivatives and dibenzylammonium salts.","Organic letters","2006","8","6","1069","1072","10.1021/ol053008s","","","0.71073","MoKα","","0.2435","0.1056","","","0.2819","0.321","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505864","8.3528","0.0017","11.293","0.002","27.476","0.006","89.93","0.03","89.86","0.03","73.88","0.03","2489.9","0.9","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","Bicyclo[1.1.1]pentane-1,2,3,4-tetracarboxylic acid 2,4-dimethyl ester","","- C11 H12 O8 -","- C11 H12 O8 -","- C88 H96 O64 -","8","4","","Mazal, Ctibor; Skarka, Ondrej; Kaleta, Jirí; Michl, Josef","cis-endo-Bicyclo[1.1.1]pentane-1,2,3,4- tetracarboxylic acid and its derivatives.","Organic letters","2006","8","4","749","752","10.1021/ol053039n","","","0.71069","MoKα","","0.0973","0.045","","","0.1049","0.1157","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505865","25.89","0.005","9.1958","0.0018","11.305","0.002","90","","97.94","0.03","90","","2665.7","0.9","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R,R)-cis-endo-1,3-Di((1-phenylethylamino)carbonyl) bicyclo[1.1.1]pentane-2,4-dicarboxylic acid","","- C30 H31 N2 O6 -","- C30 H31 N2 O6 -","- C120 H124 N8 O24 -","4","1","","Mazal, Ctibor; Skarka, Ondrej; Kaleta, Jirí; Michl, Josef","cis-endo-Bicyclo[1.1.1]pentane-1,2,3,4- tetracarboxylic acid and its derivatives.","Organic letters","2006","8","4","749","752","10.1021/ol053039n","","","0.71069","MoKα","","0.0925","0.0386","","","0.0495","0.0616","","","","","","0.604","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505866","13.9598","0.0005","25.6067","0.0008","14.3176","0.0005","90","","114.59","0.0013","90","","4653.9","0.3","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C57 H48 Si3 -","- C57 H48 Si3 -","- C228 H192 Si12 -","4","1","","Feng, Xinliang; Wu, Jishan; Enkelmann, Volk; Müllen, Klaus","Hexa-peri-hexabenzocoronenes by efficient oxidative cyclodehydrogenation: the role of the oligophenylene precursors.","Organic letters","2006","8","6","1145","1148","10.1021/ol053043z","","","0.71073","MoKα","","0.0629","0.0571","","0.0725","0.0671","0.0671","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505867","12.1176","0.0005","15.0945","0.0006","18.9522","0.0006","90","","99.5309","0.0012","90","","3418.7","0.2","120","","120","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 -","- C50 H40 -","- C200 H160 -","4","1","","Feng, Xinliang; Wu, Jishan; Enkelmann, Volk; Müllen, Klaus","Hexa-peri-hexabenzocoronenes by efficient oxidative cyclodehydrogenation: the role of the oligophenylene precursors.","Organic letters","2006","8","6","1145","1148","10.1021/ol053043z","","","0.71073","MoKα","","0.1297","0.0502","","0.0572","0.0551","0.0551","","","","","","1.1498","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505868","18.5614","0.0003","34.2968","0.0008","10.4254","0.0002","90","","107.776","0.001","90","","6319.9","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Richards","","- C42 H36 Co N2 O0.5 -","- C42 H36 Co N2 O0.5 -","- C336 H288 Co8 N16 O4 -","8","1","","Nguyen, Huy V.; Butler, David C. D.; Richards, Christopher J.","A metallocene-pyrrolidinopyridine nucleophilic catalyst for asymmetric synthesis.","Organic letters","2006","8","4","769","772","10.1021/ol053050n","","","0.71073","MoKα","","0.0605","0.0385","","","0.088","0.0971","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505869","8.3022","0.0007","14.6332","0.0012","26.376","0.002","90","","90","","90","","3204.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","05294","","","- C36 H45 N O4 Si -","- C36 H45 N O4 Si -","- C144 H180 N4 O16 Si4 -","4","1","","Swidorski, Jacob J.; Wang, Jiashi; Hsung, Richard P.","A concise total synthesis of (-)-cylindricine C through a stereoselective intramolecular aza-[3 + 3] annulation strategy.","Organic letters","2006","8","4","777","780","10.1021/ol053059p","","","0.71073","MoKα","","0.0694","0.0399","","","0.0831","0.0971","","","","","","1.017","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505870","7.7874","0.0007","9.2435","0.0009","9.3529","0.0009","108.87","0.002","107.825","0.002","95.669","0.002","591.68","0.1","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H34 -","- C30 H34 -","- C30 H34 -","1","0.5","","Cui, Weibin; Zhang, Xiaojie; Jiang, Xiaoxia; Tian, Hongkun; Yan, Donghang; Geng, Yanhou; Jing, Xiabin; Wang, Fosong","Synthesis and characterization of soluble oligo (9,10-bisalkynylanthrylene)s.","Organic letters","2006","8","4","785","788","10.1021/ol0530777","","","0.71073","MoKα","","0.0639","0.0503","","","0.1439","0.1598","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505871","7.8294","0.0013","11.3508","0.0015","11.6799","0.0005","104.494","0.005","91.16","0.008","101.957","0.012","980.3","0.2","293","2","293","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","(7a-Hydroxymethyl-1,2,3,7a-tetrahydro-inden-3a-yl)-methanol","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","2","","Monje, Pablo; Graña, Paula; Paleo, M. Rita; Sardina, F. Javier","Dearomatization-bis-alkylation of aromatic and heteroaromatic diesters promoted by Me3SnLi via a stanna-Brook rearrangement.","Organic letters","2006","8","5","951","954","10.1021/ol053130r","","x-ray","1.5418","CuKα","","0.1575","0.0977","","","0.2413","0.2667","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505872","7.432","0.01","21.592","0.012","7.462","0.009","90","","116.22","0.11","90","","1074","2","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Monje, Pablo; Graña, Paula; Paleo, M. Rita; Sardina, F. Javier","Dearomatization-bis-alkylation of aromatic and heteroaromatic diesters promoted by Me3SnLi via a stanna-Brook rearrangement.","Organic letters","2006","8","5","951","954","10.1021/ol053130r","","x-ray","1.5418","CuKα","","0.1949","0.0969","","","0.2793","0.3805","","","","","","1.29","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505873","9.435","0.001","11.465","0.001","19.104","0.002","90","","90","","90","","2066.5","0.4","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 16","","","- C18 H31 N O3 S2 -","- C18 H31 N O3 S2 -","- C72 H124 N4 O12 S8 -","4","1","","Velázquez, Francisco; Arasappan, Ashok; Chen, Kevin; Sannigrahi, Mousumi; Venkatraman, Srikanth; McPhail, Andrew T.; Chan, Tze-Ming; Shih, Neng-Yang; Njoroge, F. George","Stereoselective synthesis of beta-substituted beta-amino sulfones and sulfonamides via addition of sulfonyl anions to chiral N-sulfinyl imines.","Organic letters","2006","8","4","789","792","10.1021/ol053132b","","","1.5418","CuKα","","0.075","0.064","","0.166","0.162","","","","1.02","1.02","1.02","","","","","has coordinates","288155","2023-12-07","17:20:21",""
"1505874","9.9133","0.0001","15.9233","0.0004","10.8269","0.0002","90","","105.844","0.002","90","","1644.12","0.06","253","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro","Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.","Organic letters","2006","8","5","963","965","10.1021/ol053141k","","","0.7107","MoKα","","","0.158","","","","0.219","","","","","","1.126","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505875","15.5946","0.0005","18.5492","0.0006","6.2256","0.0003","90","","90","","90","","1800.86","0.12","253","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro","Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.","Organic letters","2006","8","5","963","965","10.1021/ol053141k","","","0.7107","MoKα","","","0.07","","","","0.148","","","","","","0.978","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505876","5.6563","0.0001","16.0226","0.0005","18.3994","0.0007","90","","97.089","0.001","90","","1654.77","0.09","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro","Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.","Organic letters","2006","8","5","963","965","10.1021/ol053141k","","","0.71069","MoKα","","0.1438","0.1074","","","0.1903","0.2034","","","","","","1.32","","","","has coordinates","192782","2020-10-21","18:00:00",""
"1505877","17.779","0.003","5.731","0.001","9.827","0.002","90","","98.24","0.01","90","","991","0.3","198.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 F3 N O5 -","- C21 H20 F3 N O5 -","- C42 H40 F6 N2 O10 -","2","1","","Shimada, Taichi; Yoshioka, Masamitsu; Konno, Tsutomu; Ishihara, Takashi","Highly stereoselective TiCl4-Catalyzed Evans-aldol and Et3Al-mediated Reformatsky reactions. Efficient accesses to optically active syn- or anti-alpha-trifluoromethyl-beta-hydroxy carboxylic acid derivatives.","Organic letters","2006","8","6","1129","1131","10.1021/ol0531435","","","1.5418","CuKα","","","0.035","","","","0.1","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505878","12.06","0.02","10.836","0.005","9.436","0.007","90","","104.83","0.09","90","","1192","2","198.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 F3 N O4 -","- C26 H24 F3 N O4 -","- C52 H48 F6 N2 O8 -","2","1","","Shimada, Taichi; Yoshioka, Masamitsu; Konno, Tsutomu; Ishihara, Takashi","Highly stereoselective TiCl4-Catalyzed Evans-aldol and Et3Al-mediated Reformatsky reactions. Efficient accesses to optically active syn- or anti-alpha-trifluoromethyl-beta-hydroxy carboxylic acid derivatives.","Organic letters","2006","8","6","1129","1131","10.1021/ol0531435","","","1.5418","CuKα","","","0.037","","","","0.099","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505879","9.062","0.002","11.895","0.003","12.311","0.003","98.051","0.006","100.63","0.01","109.27","0.01","1202","0.5","223.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 N O5 Si -","- C24 H31 N O5 Si -","- C48 H62 N2 O10 Si2 -","2","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.045","","","","0.049","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505880","8.94","0.002","12.302","0.004","21.509","0.004","90","","94.2","0.01","90","","2359.2","1","223.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O5 Si -","- C23 H29 N O5 Si -","- C92 H116 N4 O20 Si4 -","4","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.039","","","","0.081","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505881","12.051","0.002","20.06","0.004","11.469","0.002","90","","35.698","0.006","90","","1617.8","0.6","223.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.04","","","","0.079","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505882","14.582","0.002","18.285","0.003","5.944","0.001","90","","90","","90","","1584.9","0.4","223.1","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.035","","","","0.038","","","","","","0.997","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505883","7.31","0.03","10.78","0.02","14.356","0.016","90","","103.2","0.2","90","","1101","5","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C56 H32 S8 -","4","1","","Abdur Rahman, S. M.; Sonoda, Motohiro; Ono, Miyako; Miki, Koji; Tobe, Yoshito","Novel synthesis of bridged phenylthienylethenes and dithienylethenes via Pd-catalyzed double-cyclization reactions of diarylhexadienynes","Organic Letters","2006","8","6","1197","1200","10.1021/ol0600281","","x-ray","0.71073","MoKα","","0.0393","0.0346","","","0.0985","0.1017","","","","","","1.063","","","","has coordinates","218678","2020-10-21","18:00:00",""
"1505884","7.169","0.001","17.422","0.003","17.421","0.002","87.315","0.007","83.118","0.006","83.334","0.007","2144.4","0.5","114.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C112 H64 S16 -","8","4","","Abdur Rahman, S. M.; Sonoda, Motohiro; Ono, Miyako; Miki, Koji; Tobe, Yoshito","Novel synthesis of bridged phenylthienylethenes and dithienylethenes via Pd-catalyzed double-cyclization reactions of diarylhexadienynes","Organic Letters","2006","8","6","1197","1200","10.1021/ol0600281","","","0.7107","MoKα","","","0.0825","","","","0.2097","","","","","","0.963","","","","has coordinates","218678","2020-10-21","18:00:00",""
"1505885","6.7041","0.0011","12.864","0.002","23.295","0.004","90","","90","","90","","2009","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05114","(2R,5R,1'R)-2-tert-Butyl-5-(2',2'-dimethyl-1-(2S-carboxy-1-pyrrolidinyl) propyl-1-aza-3-oxabicyclo[3.3.0]octan-4-one (16)","","- C20 H34 N2 O4 -","- C20 H34 N2 O4 -","- C80 H136 N8 O16 -","4","1","","Vartak, Ashish P.; Johnson, Rodney L.","Concerted synthesis of a spirobicyclic type-VI beta-turn mimic of Pro-Pro-Pro-NH2.","Organic letters","2006","8","5","983","986","10.1021/ol0600335","","","0.71073","MoKα","","0.0482","0.0361","","","0.0849","0.0907","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505886","10.1259","0.0009","14.7103","0.0013","14.0452","0.0013","90","","102.284","0.002","90","","2044.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C104 H84 N4 O12 -","4","1","","Kong, Aidi; Han, Xiuling; Lu, Xiyan","Highly efficient construction of benzene ring in carbazoles by palladium-catalyzed endo-mode oxidative cyclization of 3-(3'-alkenyl)indoles.","Organic letters","2006","8","7","1339","1342","10.1021/ol060039u","","","0.71073","MoKα","","0.0873","0.0516","","","0.1144","0.1284","","","","","","0.899","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505887","6.02","0.0007","15.08","0.0013","16.371","0.0011","90","","92.672","0.003","90","","1484.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C56 H72 N8 O20 -","4","1","","Deb, Indubhusan; Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Hydroxyalkylation of conjugated nitroalkenes with activated nonenolizable carbonyl compounds.","Organic letters","2006","8","6","1201","1204","10.1021/ol060041l","","","0.71073","MoKα","","0.1566","0.0509","","","0.1108","0.1383","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505888","7.4374","0.0004","8.0243","0.0006","11.3999","0.0015","90","","92.67","0.007","90","","679.61","0.11","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H9 N O6 -","- C15 H9 N O6 -","- C30 H18 N2 O12 -","2","0.5","","Deb, Indubhusan; Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Hydroxyalkylation of conjugated nitroalkenes with activated nonenolizable carbonyl compounds.","Organic letters","2006","8","6","1201","1204","10.1021/ol060041l","","","0.71073","MoKα","","0.0603","0.0412","","","0.1034","0.1126","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505889","13.2968","0.0002","19.1906","0.0003","23.6024","0.0005","90","","97.599","0.001","90","","5969.82","0.18","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H60 Cl3 N7 O6 -","- C57 H60 Cl3 N7 O6 -","- C228 H240 Cl12 N28 O24 -","4","1","","Kaewtong, Chatthai; Fuangswasdi, Saowarux; Muangsin, Nongnuj; Chaichit, Narongsak; Vicens, Jacques; Pulpoka, Buncha","Novel C3v-symmetrical N7-Hexahomotriazacalix[3]cryptand: a highly efficient receptor for halide anions.","Organic letters","2006","8","8","1561","1564","10.1021/ol060052e","","","0.71073","MoKα","","","0.1046","","","","0.3769","","","","","","1.004","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505890","16.645","0.002","16.645","0.002","9.0395","0.0018","90","","90","","120","","2168.9","0.6","293","2","293","2","","","","","","","synthesis","5","P 63","P 6c","173","tisphosphoramide 1d","","","- C51 H54 N3 O4 P -","- C51 H54 N3 O4 P -","- C102 H108 N6 O8 P2 -","2","0.333333","","Du, Da-Ming; Fang, Tao; Xu, Jiaxi; Zhang, Shi-Wei","Structurally well-defined, recoverable C3-symmetric tris(beta-hydroxy phosphoramide)-catalyzed enantioselective borane reduction of ketones.","Organic letters","2006","8","7","1327","1330","10.1021/ol0600584","","x-ray","0.71073","MoKα","","0.045","0.0305","","","0.062","0.0645","","","","","","0.798","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505891","15.4671","0.0013","22.6543","0.0018","27.05","0.002","90","","102.299","0.002","90","","9260.7","1.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H36 Cl2 F40 N10 -","- C102 H36 Cl2 F40 N10 -","- C408 H144 Cl8 F160 N40 -","4","1","","Hata, Hiroshi; Kamimura, Yiho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of pyrrolidine-fused [34]- and [36]octaphyrins via 1,3-dipolar cycloaddition.","Organic letters","2006","8","6","1169","1172","10.1021/ol060067c","","","0.71073","MoKα","","0.1477","0.0846","","","0.2478","0.2883","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505892","15.209","0.003","22.606","0.004","27.009","0.005","90","","101.382","0.003","90","","9103","3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H32 Cl4 F40 N10 -","- C96 H32 Cl4 F40 N10 -","- C384 H128 Cl16 F160 N40 -","4","1","","Hata, Hiroshi; Kamimura, Yiho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of pyrrolidine-fused [34]- and [36]octaphyrins via 1,3-dipolar cycloaddition.","Organic letters","2006","8","6","1169","1172","10.1021/ol060067c","","","0.71073","MoKα","","0.1135","0.0826","","","0.2235","0.2543","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505893","7.9496","0.0008","12.7043","0.0013","13.1705","0.0013","90","","90","","90","","1330.1","0.2","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Shim, Sang Hee; Swenson, Dale C.; Gloer, James B.; Dowd, Patrick F.; Wicklow, Donald T.","Penifulvin A: a sesquiterpenoid-derived metabolite containing a novel dioxa[5,5,5,6]fenestrane ring system from a fungicolous isolate of Penicillium griseofulvum.","Organic letters","2006","8","6","1225","1228","10.1021/ol060107c","","","0.71069","MoKα","","0.0487","0.0355","","","0.0793","0.0842","","","","","","1.098","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505894","7.215","0.001","7.524","0.001","16.782","0.003","90","","92.21","0.03","90","","910.3","0.2","198","2","198","2","","","0","","","","synthetic","4","P 1 21 1","P 2yb","4","","vinylcyclopentan","","- C15 H30 O3 Si -","- C15 H30 O3 Si -","- C30 H60 O6 Si2 -","2","1","","Helmboldt, Hannes; Köhler, Daniel; Hiersemann, Martin","Synthesis of the norjatrophane diterpene (-)-15-acetyl-3-propionyl- 17-norcharaciol.","Organic letters","2006","8","8","1573","1576","10.1021/ol060115t","","x-ray","0.71073","MoKα","","0.049","0.0382","","","0.0964","0.1002","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505895","9.969","0.002","10.816","0.002","11.889","0.003","90","","112.1","0.004","90","","1187.7","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H13 F3 N2 O S -","- C8 H13 F3 N2 O S -","- C32 H52 F12 N8 O4 S4 -","4","2","","Wang, Hua; Zhao, Xiaoming; Li, Youhua; Lu, Long","Solvent-controlled asymmetric Strecker reaction: stereoselective synthesis of alpha-trifluoromethylated alpha-amino acids.","Organic letters","2006","8","7","1379","1381","10.1021/ol0601186","","","0.71073","MoKα","","0.0694","0.0582","","","0.1399","0.1693","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505896","9.2287","0.0012","8.0025","0.001","10.3705","0.0014","90","","90.623","0.002","90","","765.84","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H15 F3 N2 O S -","- C13 H15 F3 N2 O S -","- C26 H30 F6 N4 O2 S2 -","2","1","","Wang, Hua; Zhao, Xiaoming; Li, Youhua; Lu, Long","Solvent-controlled asymmetric Strecker reaction: stereoselective synthesis of alpha-trifluoromethylated alpha-amino acids.","Organic letters","2006","8","7","1379","1381","10.1021/ol0601186","","","0.71073","MoKα","","0.037","0.0333","","","0.0749","0.0766","","","","","","0.958","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505897","11.277","0.002","11.841","0.002","19.771","0.003","90","","90","","90","","2640","0.8","293","2","293","2","","","","","","","","3","I b c a","-I 2b 2c","73","","diisopropylammonium benzotriazolate","","- C12 H20 N4 -","- C12 H20 N4 -","- C96 H160 N32 -","8","0.5","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0575","0.0555","","","0.1473","0.1493","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505898","9.087","0.002","21.565","0.003","12.4","0.002","90","","93.37","0.03","90","","2425.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","dicyclohexylammonium benzotriazolate benzotriazole 1:1:1","","- C24 H33 N7 -","- C24 H33 N7 -","- C96 H132 N28 -","4","1","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0484","0.0396","","","0.1158","0.1232","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505899","14.607","0.003","17.531","0.003","18.792","0.003","90","","103.93","0.06","90","","4670.6","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dicyclohexylammonium benzotriazolate phenol (1:1:1)","","- C24 H34 N4 O -","- C24 H34 N4 O -","- C192 H272 N32 O8 -","8","1","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0812","0.0709","","","0.1966","0.2276","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505900","8.717","0.002","21.365","0.003","23.39","0.003","90","","90","","90","","4356.1","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cyclopropylammonium benzotriazolate benzotriazole (1:1:2)","","- C21 H22 N10 -","- C21 H22 N10 -","- C168 H176 N80 -","8","1","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0664","0.0507","","","0.1518","0.1623","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505901","11.573","0.003","14.732","0.004","17.032","0.005","90","","98.886","0.011","90","","2869","1.4","297.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 O8 -","- C31 H34 O8 -","- C124 H136 O32 -","4","1","","Wang, Yan-Guang; Cui, Sun-Liang; Lin, Xu-Feng","A highly selective cascade approach to diverse aromatic ring systems from simple aromatic aldehydes and propiolates.","Organic letters","2006","8","6","1241","1244","10.1021/ol060143b","","","0.71075","MoKα","","","0.0475","","","","0.1218","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505902","14.248","0.003","7.7909","0.0016","22.151","0.005","90","","108.455","0.003","90","","2332.4","0.9","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O5 -","- C25 H28 N2 O5 -","- C100 H112 N8 O20 -","4","1","","Bentley, David J.; Slawin, Alexandra M. Z.; Moody, Christopher J.","Total synthesis of stephanotic acid methyl ester.","Organic letters","2006","8","10","1975","1978","10.1021/ol060153c","","","0.71073","MoKα","","0.0438","0.0368","","","0.0855","0.0902","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505903","13.409","0.002","13.645","0.002","14.854","0.002","90","","103.485","0.002","90","","2642.8","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","deoxycholate anion receptor1","","","- C45 H60 Br2 Cl6 N4 O8 -","- C45 H60 Br2 Cl6 N4 O8 -","- C90 H120 Br4 Cl12 N8 O16 -","2","1","","Khatri, Vijay K.; Upreti, Shailesh; Pandey, Pramod S.","Novel bile acid-based cyclic bisimidazolium receptors for anion recognition.","Organic letters","2006","8","9","1755","1758","10.1021/ol060168a","","","0.71073","MoKα","","0.0918","0.0687","","","0.1542","0.1633","","","","","","0.973","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505904","27.172","0.005","8.5342","0.0016","23.688","0.004","90","","121.809","0.003","90","","4668","1.5","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","deoxycholate anion receptor2","","","- C43 H60 Br2 N4 O7.5 -","- C43 H60 Br2 N4 O7.5 -","- C172 H240 Br8 N16 O30 -","4","1","","Khatri, Vijay K.; Upreti, Shailesh; Pandey, Pramod S.","Novel bile acid-based cyclic bisimidazolium receptors for anion recognition.","Organic letters","2006","8","9","1755","1758","10.1021/ol060168a","","","0.71073","MoKα","","0.1259","0.0609","","","0.1571","0.1904","","","","","","0.917","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1505905","9.8674","0.0016","11.449","0.003","17.359","0.006","102.14","0.02","105.57","0.02","95.79","0.02","1820.9","0.9","120","2","120","2","","","","","","","Dan Pantos","4","P -1","-P 1","2","","","","- C39.5 H40 N5 O10.5 -","- C39.5 H40 N5 O10.5 -","- C79 H80 N10 O21 -","2","1","","Sessler, Jonathan L.; Pantos, G. Dan; Gale, Philip A.; Light, Mark E.","Synthesis and anion binding properties of N,N'-bispyrrol-2-yl-2,5-diamidopyrrole.","Organic letters","2006","8","8","1593","1596","10.1021/ol060193g","","","0.71073","MoKα","","0.1674","0.0771","","","0.1817","0.224","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505906","18.443","0.008","8.521","0.003","27.694","0.012","90","","105.917","0.007","90","","4185","3","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H19 Br N2 O2 S -","- C22 H19 Br N2 O2 S -","- C176 H152 Br8 N16 O16 S8 -","8","2","","Jia, Yi-Xia; Xie, Jian-Hua; Duan, Hai-Feng; Wang, Li-Xin; Zhou, Qi-Lin","Asymmetric Friedel-Crafts addition of indoles to N-sulfonyl aldimines: a simple approach to optically active 3-indolyl-methanamine derivatives.","Organic letters","2006","8","8","1621","1624","10.1021/ol0602001","","","","","","0.163","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505907","22.88","0.005","25.666","0.006","14.578","0.003","90","","123.552","0.005","90","","7134","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cl2 Hg N4 O12 S2 -","- C32 H32 Cl2 Hg N4 O12 S2 -","- C256 H256 Cl16 Hg8 N32 O96 S16 -","8","1","","Lee, Soo Jin; Jung, Jong Hwa; Seo, Joobeom; Yoon, Il; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","A chromogenic macrocycle exhibiting cation-selective and anion-controlled color change: an approach to understanding structure-color relationships.","Organic letters","2006","8","8","1641","1643","10.1021/ol0602405","","","0.71073","MoKα","","0.2073","0.0622","","","0.1254","0.1982","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505908","11.3042","0.0011","36.375","0.004","8.3764","0.0008","90","","100.603","0.002","90","","3385.5","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Hg I2 N4 O4 S2 -","- C32 H32 Hg I2 N4 O4 S2 -","- C128 H128 Hg4 I8 N16 O16 S8 -","4","1","","Lee, Soo Jin; Jung, Jong Hwa; Seo, Joobeom; Yoon, Il; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","A chromogenic macrocycle exhibiting cation-selective and anion-controlled color change: an approach to understanding structure-color relationships.","Organic letters","2006","8","8","1641","1643","10.1021/ol0602405","","","0.71073","MoKα","","0.0734","0.0435","","","0.1063","0.1283","","","","","","1.124","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1505909","23.964","0.009","6.054","0.002","11.16","0.004","90","","90","","90","","1619.1","1","218","2","218","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H14 N4 -","- C22 H14 N4 -","- C88 H56 N16 -","4","1","","Jouvenot, Damien; Glazer, Edith C.; Tor, Yitzhak","Photodimerizable ditopic ligand.","Organic letters","2006","8","10","1987","1990","10.1021/ol060253i","","","0.71073","MoKα","","0.0425","0.0383","","","0.094","0.0966","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505910","8.3433","0.0009","12.0224","0.0013","15.8306","0.0018","90","","98.373","0.002","90","","1571","0.3","208","2","208","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 N8 -","- C44 H28 N8 -","- C88 H56 N16 -","2","0.5","","Jouvenot, Damien; Glazer, Edith C.; Tor, Yitzhak","Photodimerizable ditopic ligand.","Organic letters","2006","8","10","1987","1990","10.1021/ol060253i","","","0.71073","MoKα","","0.0766","0.0547","","","0.1452","0.1607","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505911","21.326","0.005","21.2","0.005","23.53","0.005","90","0.005","111.92","0.005","90","0.005","9869","4","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C151 H80 O10 -","- C151 H80 O10 -","- C604 H320 O40 -","4","1","","Zhong, Yu-Wu; Matsuo, Yutaka; Nakamura, Eiichi","Convergent synthesis of a polyfunctionalized fullerene by regioselective five-fold addition of a functionalized organocopper reagent to C60.","Organic letters","2006","8","7","1463","1466","10.1021/ol060282t","","x-ray","0.71069","MoKα","","0.1976","0.1211","","","0.291","0.3447","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505912","14.443","","16.347","","17.597","","76.19","","75.68","","70.01","","3728.43","","153","2","153","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","C60C6H4COOEt5Me","","- C113 H56 O10 -","- C113 H56 O10 -","- C226 H112 O20 -","2","1","","Zhong, Yu-Wu; Matsuo, Yutaka; Nakamura, Eiichi","Convergent synthesis of a polyfunctionalized fullerene by regioselective five-fold addition of a functionalized organocopper reagent to C60.","Organic letters","2006","8","7","1463","1466","10.1021/ol060282t","","x-ray","0.71073","MoKα","","0.1852","0.1439","","","0.3778","0.4211","","","","","","1.476","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505913","10.585","0.004","12.668","0.004","9.841","0.004","97.61","0.03","99.46","0.03","92.88","0.03","1286.7","0.8","298.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H76 O8 -","- C56 H76 O8 -","- C56 H76 O8 -","1","0.5","","Sawada, Tsuyoshi; Nishiyama, Yousuke; Tabuchi, Wataru; Ishikawa, Makoto; Tsutsumi, Emi; Kuwahara, Yutaka; Shosenji, Hideto","Novel calixarene hemisphere synthesized via pinacol rearrangement of [2.1.2.1]metacyclophane.","Organic letters","2006","8","10","1995","1997","10.1021/ol060286y","","","0.7107","MoKα","","","0.071","","","","0.226","","","","","","1.04","","","","has coordinates,has disorder","295947","2024-11-15","22:25:05",""
"1505914","11.365","0.005","21.338","0.006","16.49","0.02","90","","90","","90","","3999","5","298.1","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C48 H55 N O4 -","- C48 H55 N O4 -","- C192 H220 N4 O16 -","4","0.5","","Sawada, Tsuyoshi; Nishiyama, Yousuke; Tabuchi, Wataru; Ishikawa, Makoto; Tsutsumi, Emi; Kuwahara, Yutaka; Shosenji, Hideto","Novel calixarene hemisphere synthesized via pinacol rearrangement of [2.1.2.1]metacyclophane.","Organic letters","2006","8","10","1995","1997","10.1021/ol060286y","","","0.7107","MoKα","","","0.077","","","","0.244","","","","","","0.994","","","","has coordinates,has disorder","295947","2024-11-15","22:25:06",""
"1505915","9.9905","0.0011","10.8313","0.0012","16.1426","0.0019","90","","99.003","0.003","90","","1725.3","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H53 N O4 -","- C40 H53 N O4 -","- C80 H106 N2 O8 -","2","1","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. Construction of the heptacyclic core of (-)-nodulisporic acid D.","Organic letters","2006","8","8","1669","1672","10.1021/ol0602912","","","0.71069","MoKα","","0.0683","0.0409","","","0.0845","0.095","","","","","","0.811","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505916","6.1276","0.0003","12.1417","0.0006","15.6434","0.0008","109.99","0.002","95.395","0.002","95.643","0.002","1078.26","0.09","143","1","143","1","","","","","","","","5","P 1","P 1","1","","","","- C25 H24 Br N O3 -","- C25 H24 Br N O3 -","- C50 H48 Br2 N2 O6 -","2","2","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. Construction of the heptacyclic core of (-)-nodulisporic acid D.","Organic letters","2006","8","8","1669","1672","10.1021/ol0602912","","","0.71073","MoKα","","0.0609","0.0539","","","0.137","0.143","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505917","6.1395","0.0009","23.287","0.003","11.4789","0.0017","90","","101.384","0.002","90","","1608.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 S -","- C18 H20 O3 S -","- C72 H80 O12 S4 -","4","1","","Min, Jae-Hong; Jung, Se-Young; Wu, Bo; Oh, Jung Taek; Lah, Myoung Soo; Koo, Sangho","Origin of the diastereoselection in the indium-mediated addition of haloallylic sulfones to aldehydes.","Organic letters","2006","8","7","1459","1462","10.1021/ol060297r","","","0.71073","MoKα","","0.064","0.0482","","","0.1032","0.1109","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505918","18.387","0.012","8.174","0.005","26.538","0.018","90","","96.093","0.012","90","","3966","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O3 S -","- C23 H22 O3 S -","- C184 H176 O24 S8 -","8","1","","Min, Jae-Hong; Jung, Se-Young; Wu, Bo; Oh, Jung Taek; Lah, Myoung Soo; Koo, Sangho","Origin of the diastereoselection in the indium-mediated addition of haloallylic sulfones to aldehydes.","Organic letters","2006","8","7","1459","1462","10.1021/ol060297r","","","0.71073","MoKα","","0.0747","0.0599","","","0.1613","0.1709","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505919","9.1854","0.0012","9.9315","0.0013","21.382","0.003","90","","94.101","0.002","90","","1945.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O3 S -","- C23 H22 O3 S -","- C92 H88 O12 S4 -","4","1","","Min, Jae-Hong; Jung, Se-Young; Wu, Bo; Oh, Jung Taek; Lah, Myoung Soo; Koo, Sangho","Origin of the diastereoselection in the indium-mediated addition of haloallylic sulfones to aldehydes.","Organic letters","2006","8","7","1459","1462","10.1021/ol060297r","","","0.71073","MoKα","","0.0743","0.0479","","","0.1165","0.1287","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505920","9.754","0.002","12.086","0.002","13.614","0.003","90","","90","","90","","1604.9","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 F N O5 -","- C16 H18 F N O5 -","- C64 H72 F4 N4 O20 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0435","0.0357","","","0.0935","0.0981","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505921","9.6137","0.0019","11.512","0.002","13.536","0.003","90","","90","","90","","1498.1","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O4 -","- C16 H18 F N O4 -","- C64 H72 F4 N4 O16 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0668","0.038","","","0.0704","0.0777","","","","","","0.952","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505922","6.3666","0.0004","15.3404","0.0009","17.1852","0.0013","90","","90","","90","","1678.41","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0455","0.0331","","","0.0785","0.0835","","","","","","1.018","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505923","6.0083","0.0004","19.6711","0.0014","18.7067","0.0013","90","","97.123","0.001","90","","2193.9","0.3","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C112 H96 O8 -","4","1","","Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.","Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.","Organic letters","2006","8","7","1491","1494","10.1021/ol060318h","","","0.71073","MoKα","","0.0503","0.0371","","","0.094","0.1035","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505924","25.1768","0.0018","11.7431","0.0008","20.5459","0.0015","90","","105.89","0.0012","90","","5842.4","0.7","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H39 Cl O4 -","- C34.5 H39 Cl O4 -","- C276 H312 Cl8 O32 -","8","1","","Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.","Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.","Organic letters","2006","8","7","1491","1494","10.1021/ol060318h","","","0.71073","MoKα","","0.101","0.069","","","0.1983","0.2255","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505925","18.1743","0.0016","14.9401","0.0013","17.2589","0.0015","90","","95.7046","0.0012","90","","4663","0.7","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C29 H23 Cl3 -","- C29 H23 Cl3 -","- C232 H184 Cl24 -","8","1","","Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.","Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.","Organic letters","2006","8","7","1491","1494","10.1021/ol060318h","","","0.71073","MoKα","","0.0581","0.0401","","","0.101","0.1117","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505926","16.9495","0.0009","15.8806","0.0009","20.9138","0.0012","90","","105.999","0.001","90","","5411.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F6 N2 O5 Pd -","- C25 H26 F6 N2 O5 Pd -","- C200 H208 F48 N16 O40 Pd8 -","8","2","","Rogers, Michelle M.; Wendlandt, Johanna E.; Guzei, Ilia A.; Stahl, Shannon S.","Aerobic intramolecular oxidative amination of alkenes catalyzed by NHC-coordinated palladium complexes.","Organic letters","2006","8","11","2257","2260","10.1021/ol060327q","","","0.71073","MoKα","","0.0682","0.0493","","","0.1304","0.1526","","","","","","0.958","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505927","9.129","0.006","12.031","0.003","9.871","0.007","90","","102.28","0.03","90","","1059.3","1.1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N4 O7 -","- C20 H24 N4 O7 -","- C40 H48 N8 O14 -","2","1","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","1.54178","CuKα","","0.0705","0.0653","","","0.1671","0.1721","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505928","24.997","0.005","8.6063","0.0009","19.087","0.004","90","","111.239","0.008","90","","3827.3","1.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C160 H176 N16 O40 -","8","2","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","1.54178","CuKα","","0.1951","0.0835","","","0.1978","0.2568","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505929","16.0866","0.0008","17.8033","0.001","7.1185","0.0004","90","","90","","90","","2038.7","0.19","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C88 H72 N8 O24 -","4","1","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","0.71069","MoKα","","0.1443","0.0534","","","0.1173","0.1467","","","","","","0.814","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505930","10.6889","0.0019","7.5335","0.0016","22.998","0.004","90","","101.875","0.009","90","","1812.3","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","1.54178","CuKα","","0.0663","0.056","","","0.1565","0.1664","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505931","7.8657","0.0005","9.0257","0.0005","9.668","0.0006","64.462","0.004","75.228","0.003","74.537","0.004","589.1","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C24 H22 Br2 N4 O4 -","2","1","","Krasnova, Larissa B.; Yudin, Andrei K.","Highly regioselective transformation of alkenyl bromides into alpha-bromoaziridines and alpha-bromohydrazones.","Organic letters","2006","8","10","2011","2014","10.1021/ol060336z","","","0.71073","MoKα","","0.0476","0.0362","","","0.0819","0.087","","","","","","1.033","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505932","10.8414","0.0008","10.9897","0.0006","11.1654","0.0006","82.275","0.003","80.529","0.003","63.336","0.003","1169.84","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N O4 S -","- C26 H29 N O4 S -","- C52 H58 N2 O8 S2 -","2","1","","England, Dylan B.; Magolan, Jakob; Kerr, Michael A.","Synthesis of the western half of the lolicines and lolitrems.","Organic letters","2006","8","11","2209","2212","10.1021/ol060338j","","","0.71073","MoKα","","0.0973","0.0524","","","0.1292","0.1473","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505933","15.362","0.002","10.6888","0.0014","16.338","0.002","90","","92.15","0.002","90","","2680.8","0.6","294","2","294","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55.5 H53 B Cl3 F4 O6 P2 Rh -","- C55.5 H53 B Cl3 F4 O6 P2 Rh -","- C111 H106 B2 Cl6 F8 O12 P4 Rh2 -","2","1","","Duan, Hai-Feng; Xie, Jian-Hua; Shi, Wen-Jian; Zhang, Qi; Zhou, Qi-Lin","Enantioselective rhodium-catalyzed addition of arylboronic acids to aldehydes using chiral spiro monophosphite ligands.","Organic letters","2006","8","7","1479","1481","10.1021/ol060360c","","","0.71073","MoKα","","0.088","0.0494","","","0.1137","0.132","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505934","7.3633","0.0003","12.2983","0.0005","32.9857","0.0014","90","","90","","90","","2987.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H49 N O5 -","- C31.014 H49 N O5 -","- C124.056 H196 N4 O20 -","4","1","","Nichols, Paul J.; Demattei, John A.; Barnett, Bradley R.; Lefur, Nicole A.; Chuang, Tsung-Hsun; Piscopio, Anthony D.; Koch, Kevin","Preparation of pyrrolidine-based PDE4 inhibitors via enantioselective conjugate addition of alpha-substituted malonates to aromatic nitroalkenes.","Organic letters","2006","8","7","1495","1498","10.1021/ol060398p","","","0.71073","MoKα","","0.1544","0.1017","","","0.2608","0.2973","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505935","15.4115","0.0017","15.2733","0.0017","15.5755","0.0018","90","","101.178","0.002","90","","3596.7","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C176 H176 O24 -","8","1","","Yang, Yong-Hua; Shi, Min","A stereoselective synthetic route to 1,6-Dioxaspiro[4.4]non-3-en-2-ones from cyclopropyl alkyl ketones and alpha-ketoesters.","Organic letters","2006","8","8","1709","1712","10.1021/ol060415a","","","0.71073","MoKα","","0.0762","0.0526","","","0.1355","0.1451","","","","","","0.902","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505936","7.005","0.002","9.105","0.003","16.371","0.006","90","","93.84","0.01","90","","1041.8","0.6","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O9 -","- C21 H24 N2 O9 -","- C42 H48 N4 O18 -","2","1","","Noguchi, Naoyoshi; Nakada, Masahisa","Synthetic studies on (+)-ophiobolin A: asymmetric synthesis of the spirocyclic CD-ring moiety.","Organic letters","2006","8","10","2039","2042","10.1021/ol060437x","","","0.7107","MoKα","","","0.032","","","","0.074","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505937","7.5306","0.0004","13.0421","0.0007","15.3021","0.001","90","","91.971","0.004","90","","1502","0.15","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H46 O4 Si -","- C32 H31 O4 Si -","- C64 H62 O8 Si2 -","2","1","","Noguchi, Naoyoshi; Nakada, Masahisa","Synthetic studies on (+)-ophiobolin A: asymmetric synthesis of the spirocyclic CD-ring moiety.","Organic letters","2006","8","10","2039","2042","10.1021/ol060437x","","","1.54187","CuKα","","","0.0651","","","","0.1858","","","","","","1.066","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505938","12.3934","0.0015","22.795","0.003","17.545","0.002","90","","102.413","0.002","90","","4840.7","1","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H114 F12 N4 O16 P2 -","- C100 H114 F12 N4 O16 P2 -","- C200 H228 F24 N8 O32 P4 -","2","0.5","","Zong, Qian-Shou; Zhang, Chun; Chen, Chuan-Feng","Self-assembly of triptycene-based cylindrical macrotricyclic host with dibenzylammonium ions: construction of dendritic [3]pseudorotaxanes.","Organic letters","2006","8","9","1859","1862","10.1021/ol0604419","","","0.71073","MoKα","","0.1895","0.0905","","","0.242","0.3246","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505939","9.202","0.002","8.4447","0.0019","27.273","0.006","90","","93.76","0.005","90","","2114.8","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O7 -","- C19 H23 N3 O7 -","- C76 H92 N12 O28 -","4","1","","Nair, Vijay; Biju, A. T.; Mohanan, Kishor; Suresh, Eringathodi","Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with allenic esters.","Organic letters","2006","8","11","2213","2216","10.1021/ol0604623","","","0.71073","MoKα","","0.1126","0.0685","","","0.183","0.2126","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505940","9.368","0.004","11.046","0.004","12.816","0.005","103.806","0.006","99.468","0.006","99.592","0.007","1240.6","0.8","293","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O5 -","- C25 H18 N2 O5 -","- C50 H36 N4 O10 -","2","1","","Nair, Vijay; Biju, A. T.; Mohanan, Kishor; Suresh, Eringathodi","Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with allenic esters.","Organic letters","2006","8","11","2213","2216","10.1021/ol0604623","","","0.71073","MoKα","","0.174","0.1291","","","0.3764","0.4151","","","","","","1.485","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505941","9.606","0.007","10.722","0.008","11.989","0.009","71.178","0.013","71.546","0.016","64.928","0.014","1035.1","1.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N2 O5 -","- C20 H26 N2 O5 -","- C40 H52 N4 O10 -","2","1","","Nair, Vijay; Biju, A. T.; Mohanan, Kishor; Suresh, Eringathodi","Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with allenic esters.","Organic letters","2006","8","11","2213","2216","10.1021/ol0604623","","","0.71073","MoKα","","0.1561","0.0778","","","0.1829","0.2272","","","","","","0.974","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505942","7.4379","0.001","11.1077","0.0014","13.6905","0.0017","90","","102.016","0.002","90","","1106.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C48 H54 N2 O12 -","2","1","","Reddy, Leleti Rajender; Corey, E. J.","Novel bicyclization reaction leading to a fused beta-lactone.","Organic letters","2006","8","8","1717","1719","10.1021/ol060464n","","","0.71073","MoKα","","0.0425","0.0393","","","0.0957","0.0977","","","","","","1.065","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505943","11.4155","0.0016","20.035","0.003","25.895","0.004","90","","93.774","0.003","90","","5909.6","1.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Br2 O5 Si -","- C29 H34 Br2 O5 Si -","- C232 H272 Br16 O40 Si8 -","8","2","","Okamoto, Noriko; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Epoxysilane rearrangement induced by a carbanion generated by conjugate addition of enolates of chloroacetate and alpha-chloroacetamides: formation of functionalized cyclopropane derivatives.","Organic letters","2006","8","9","1889","1891","10.1021/ol060469k","","","0.71073","MoKα","","0.2047","0.0592","","","0.124","0.1809","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505944","18.011","0.005","18.011","0.005","14.279","0.008","90","","90","","90","","4632","3","193","2","193","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C192 H240 N16 O32 -","16","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0518","0.036","","","0.0835","0.0925","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505945","5.3345","0.0009","15.737","0.002","17.134","0.003","90","","90","","90","","1438.4","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0526","0.0394","","","0.0708","0.0752","","","","","","0.801","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505946","24.869","0.014","11.816","0.007","8.085","0.005","90","","103.348","0.011","90","","2312","2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0433","0.0355","","","0.0887","0.0937","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505947","8.4101","0.0017","8.6372","0.0018","20.288","0.004","90","","90","","90","","1473.7","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0992","0.0954","","","0.1676","0.1688","","","","","","1.398","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505948","8.523","0.002","9.314","0.002","17.357","0.004","90","","97.879","0.005","90","","1364.8","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","2","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0641","0.0473","","","0.0957","0.1065","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505949","8.4676","0.0015","10.3486","0.0019","18.041","0.003","90","","90","","90","","1580.9","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.1014","0.0867","","","0.1285","0.132","","","","","","1.4","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505950","8.6105","0.0016","9.7462","0.0018","18.86","0.003","90","","90","","90","","1582.7","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.074","0.0723","","","0.1307","0.1314","","","","","","1.429","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505951","13.342","0.003","9.981","0.003","16.534","0.004","90","","94.778","0.004","90","","2194.1","1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 O8 -","- C24 H19 O8 -","- C96 H76 O32 -","4","1","","Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi","Desymmetrization of cyclic anhydrides using dihydroxy compounds: selective synthesis of macrocyclic tetralactones.","Organic letters","2006","8","9","1913","1916","10.1021/ol060509k","","","0.71073","MoKα","","0.137","0.1286","","","0.3586","0.3634","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505952","10.4391","0.0019","11.314","0.002","17.157","0.003","83.844","0.003","85.99","0.003","63.167","0.003","1797.2","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C H O -","- C1.5477 H1.69811 O0.226943 -","- C82.028 H90 O12.028 -","53","26.5","","Chawla, H. M.; Pant, N.; Srivastava, Bindu; Upreti, Shailesh","Convenient direct synthesis of bisformylated calix[4]arenes via ipso substitution.","Organic letters","2006","8","11","2237","2240","10.1021/ol0605124","","","0.71073","MoKα","","0.1049","0.0912","","","0.2212","0.2375","","","","","","1.244","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505953","10.4391","0.0019","11.314","0.002","17.157","0.003","83.844","0.003","85.99","0.003","63.167","0.003","1797.2","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H45 O6 -","- C41 H45 O6 -","- C82 H90 O12 -","2","1","","Chawla, H. M.; Pant, N.; Srivastava, Bindu; Upreti, Shailesh","Convenient direct synthesis of bisformylated calix[4]arenes via ipso substitution.","Organic letters","2006","8","11","2237","2240","10.1021/ol0605124","","","0.71073","MoKα","","0.1049","0.0912","","","0.2212","0.2375","","","","","","1.244","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505954","10.4474","0.0007","13.7791","0.001","23.7993","0.0016","90","","90","","90","","3426","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O3 S -","- C18 H24 O3 S -","- C144 H192 O24 S8 -","8","1","","Chen, Wenbo; Zhao, Xiaoming; Lu, Long; Cohen, Theodore","2-Phenylthio-3-bromopropene, a valuable synthon, easily prepared by a simple rearrangement.","Organic letters","2006","8","10","2087","2090","10.1021/ol0605171","","","0.71073","MoKα","","0.0932","0.0554","","","0.1333","0.1523","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505955","8.793","0.001","10.789","0.001","16.09","0.001","109.16","0.01","90.96","0.01","112.66","0.01","1312.5","0.3","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H67 N2 O10 P S2 -","- C54 H67 N2 O10 P S2 -","- C54 H67 N2 O10 P S2 -","1","1","","Wünnemann, Stefan; Fröhlich, Roland; Hoppe, Dieter","3,3'-oxazolidinyl-substituted 2,2'-biphenyldiols: novel tropos ligands with a large induction on the chiral axis.","Organic letters","2006","8","12","2455","2458","10.1021/ol060528u","","","1.54178","CuKα","","0.0821","0.0689","","","0.1754","0.1903","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505956","7.9018","0.0007","13.9786","0.0014","12.2708","0.0011","90","","100.951","0.005","90","","1330.7","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H38 N2 O4 S Si -","- C25 H38 N2 O4 S Si -","- C50 H76 N4 O8 S2 Si2 -","2","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.077","0.044","","","0.075","0.082","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505957","12.0695","0.0007","7.0753","0.0002","18.1535","0.0011","90","","100.805","0.004","90","","1522.74","0.14","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C54 H96 O8 S2 Si4 -","2","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.072","0.047","","","0.088","0.097","","","","","","1.056","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505958","8.064","0.0001","14.0827","0.0002","28.0965","0.0006","90","","90","","90","","3190.72","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C108 H192 O16 S4 Si8 -","4","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.068","0.037","","","0.075","0.084","","","","","","0.959","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505959","10.3367","0.0008","10.7685","0.0007","28.627","0.002","90","","90","","90","","3186.5","0.4","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C108 H192 O16 S4 Si8 -","4","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.112","0.097","","","0.205","0.216","","","","","","1.095","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505960","6.4828","0.0014","8.2179","0.0016","20.787","0.005","90","","94.519","0.013","90","","1104","0.4","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Kong, Ke; Romo, Daniel","Diastereoselective, vinylogous mukaiyama aldol additions of silyloxy furans to cyclic ketones: annulation of butenolides and gamma-lactones.","Organic letters","2006","8","14","2909","2912","10.1021/ol060534q","","","1.54178","CuKα","","0.0544","0.047","","","0.1114","0.1163","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505961","11.594","0.002","9.74","0.0019","13.117","0.003","90","","111.1","0.03","90","","1381.9","0.6","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O17 -","- C23 H34 O17 -","- C46 H68 O34 -","2","1","","Li, Xiao-Li; Cheng, Xiao; Yang, Liu-Meng; Wang, Rui-Rui; Zheng, Yong-Tang; Xiao, Wei-Lie; Zhao, Yu; Xu, Gang; Lu, Yang; Chang, Ying; Zheng, Qi-Tai; Zhao, Qin-Shi; Sun, Han-Dong","Dichotomains A and B: two new highly oxygenated phenolic derivatives from Dicranopteris dichotoma.","Organic letters","2006","8","9","1937","1940","10.1021/ol060535i","","","0.71073","MoKα","","0.0922","0.0874","","","0.1777","0.1815","","","","","","1.231","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505962","11.654","0.003","10.754","0.003","15.597","0.004","90","0.001","107.367","0.0011","90","0.001","1865.6","0.9","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 B2 N2 -","- C46 H54 B2 N2 -","- C92 H108 B4 N4 -","2","0.5","","Agou, Tomohiro; Kobayashi, Junji; Kawashima, Takayuki","Syntheses, structure, and optical properties of ladder-type fused azaborines.","Organic letters","2006","8","11","2241","2244","10.1021/ol060539n","","","0.7107","MoKα","","0.0393","0.0377","","","0.0947","0.0961","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505963","8.856","0.005","19.688","0.012","9.065","0.005","90","","98.531","0.009","90","","1563.1","1.6","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 S -","- C17 H14 O2 S -","- C68 H56 O8 S4 -","4","1","","Yin, Guodong; Zhou, Baohan; Meng, Xianggao; Wu, Anxin; Pan, Yuanjiang","Efficient C-C double-bond formation reaction via a new synthetic strategy: a self-sorting tandem reaction.","Organic letters","2006","8","11","2245","2248","10.1021/ol060541e","","","0.71073","MoKα","","0.0827","0.056","","","0.154","0.1713","","","","","","1.094","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505964","9.6295","0.0009","10.5087","0.001","15.1393","0.0014","90","","105.982","0.002","90","","1472.8","0.2","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 S -","- C17 H14 O2 S -","- C68 H56 O8 S4 -","4","1","","Yin, Guodong; Zhou, Baohan; Meng, Xianggao; Wu, Anxin; Pan, Yuanjiang","Efficient C-C double-bond formation reaction via a new synthetic strategy: a self-sorting tandem reaction.","Organic letters","2006","8","11","2245","2248","10.1021/ol060541e","","","0.71073","MoKα","","0.0509","0.0428","","","0.1187","0.125","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505965","16.0885","0.0017","9.0949","0.001","11.4633","0.0012","90","","104.433","0.002","90","","1624.4","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl2 O2 S -","- C17 H12 Cl2 O2 S -","- C68 H48 Cl8 O8 S4 -","4","1","","Yin, Guodong; Zhou, Baohan; Meng, Xianggao; Wu, Anxin; Pan, Yuanjiang","Efficient C-C double-bond formation reaction via a new synthetic strategy: a self-sorting tandem reaction.","Organic letters","2006","8","11","2245","2248","10.1021/ol060541e","","","0.71073","MoKα","","0.0535","0.0408","","","0.0983","0.1053","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505966","7.6288","0.0013","27.022","0.005","10.6632","0.0018","90","","108.022","0.003","90","","2090.3","0.6","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","1","","Jeong, Jeannie H.; Weinreb, Steven M.","Formal total synthesis of the cytotoxic marine ascidian alkaloid haouamine A.","Organic letters","2006","8","11","2309","2312","10.1021/ol060556c","","","0.71073","MoKα","","0.0938","0.0632","","","0.1288","0.1398","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505967","7.704","0.0006","20.7495","0.0017","11.3041","0.0009","90","","97.818","0.001","90","","1790.2","0.2","295","2","295","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Kim, Daehwan; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of bowl-shaped polycyclic aromatic hydrocarbons via palladium-catalyzed intramolecular arylation reactions.","Organic letters","2006","8","11","2313","2316","10.1021/ol0605676","","","0.71073","MoKα","","0.0757","0.0518","","","0.1375","0.154","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505968","7.9584","0.0006","11.0098","0.0009","11.1684","0.0009","69.002","0.001","83.187","0.001","84.371","0.001","905.51","0.12","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H20 -","- C28 H20 -","- C56 H40 -","2","1","","Kim, Daehwan; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of bowl-shaped polycyclic aromatic hydrocarbons via palladium-catalyzed intramolecular arylation reactions.","Organic letters","2006","8","11","2313","2316","10.1021/ol0605676","","","0.71073","MoKα","","0.0651","0.0533","","","0.1504","0.1612","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505969","9.9891","0.0011","9.0635","0.0011","19.991","0.002","90","","103.081","0.002","90","","1762.9","0.3","295","2","295","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 -","- C27 H18 -","- C108 H72 -","4","1","","Kim, Daehwan; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of bowl-shaped polycyclic aromatic hydrocarbons via palladium-catalyzed intramolecular arylation reactions.","Organic letters","2006","8","11","2313","2316","10.1021/ol0605676","","","0.71073","MoKα","","0.0936","0.0596","","","0.1463","0.1701","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505970","4.9719","0.0009","14.74","0.003","26.89","0.005","90","","90","","90","","1970.7","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O -","- C25 H24 N2 O -","- C100 H96 N8 O4 -","4","1","","Evans, David A.; Fandrick, Keith R.","Catalytic enantioselective pyrrole alkylations of alpha,beta-unsaturated 2-acyl imidazoles.","Organic letters","2006","8","11","2249","2252","10.1021/ol060576e","","","0.71073","MoKα","","0.0843","0.0588","","","0.0786","0.0849","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505971","6.9889","0.001","12.7368","0.0019","14.102","0.002","114.04","0.002","99.928","0.003","93.764","0.002","1116.3","0.3","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H35 N O2 Si2 -","- C20 H35 N O2 Si2 -","- C40 H70 N2 O4 Si4 -","2","1","","Romero, Antonio; Woerpel, K. A.","Stereoselective synthesis of highly substituted gamma-lactams by the [3+2] annulation of alpha-siloxy allylic silanes with chlorosulfonyl isocyanate.","Organic letters","2006","8","10","2127","2130","10.1021/ol060596g","","","0.71073","MoKα","","0.0407","0.0328","","","0.0815","0.0892","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505972","8.194","0.002","8.643","0.003","14.789","0.004","75.358","0.005","83.355","0.005","63.325","0.004","905.5","0.5","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 N O Si -","- C18 H29 N O Si -","- C36 H58 N2 O2 Si2 -","2","1","","Romero, Antonio; Woerpel, K. A.","Stereoselective synthesis of highly substituted gamma-lactams by the [3+2] annulation of alpha-siloxy allylic silanes with chlorosulfonyl isocyanate.","Organic letters","2006","8","10","2127","2130","10.1021/ol060596g","","","0.71073","MoKα","","0.1231","0.1111","","","0.3022","0.3092","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505973","11.126","0.014","12.092","0.009","8.986","0.005","90","","90","","90","","1208.9","1.9","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 5","","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","","McDermott, Michael C.; Stephenson, G. Richard; Hughes, David L.; Walkington, Andrew J.","Intramolecular asymmetric Heck reactions: evidence for dynamic kinetic resolution effects.","Organic letters","2006","8","14","2917","2920","10.1021/ol0606132","","","0.71073","Mo-Kα","","0.0542","0.054","","","0.1276","0.1279","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505974","8.9878","0.0019","11.288","0.004","12.302","0.003","90","","90","","90","","1248.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 7","","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","","McDermott, Michael C.; Stephenson, G. Richard; Hughes, David L.; Walkington, Andrew J.","Intramolecular asymmetric Heck reactions: evidence for dynamic kinetic resolution effects.","Organic letters","2006","8","14","2917","2920","10.1021/ol0606132","","","0.71069","Mo-Kα","","0.0174","0.0167","","","0.0416","0.0418","","","","","","1.119","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505975","14.231","0.0004","8.0976","0.0003","15.67","0.0004","90","","116.428","0.0016","90","","1617.05","0.09","293","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3","","","- C16 H18 I N O2 -","- C16 H18 I N O2 -","- C64 H72 I4 N4 O8 -","4","1","","McDermott, Michael C.; Stephenson, G. Richard; Hughes, David L.; Walkington, Andrew J.","Intramolecular asymmetric Heck reactions: evidence for dynamic kinetic resolution effects.","Organic letters","2006","8","14","2917","2920","10.1021/ol0606132","","","0.71073","MoKα","","0.0446","0.036","","","0.1012","0.1071","","","","","","1.122","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505976","11.487","0.004","11.553","","20.483","0.007","90","","90","","90","","2718.3","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cl2 N2 O5 -","- C25 H32 Cl2 N2 O5 -","- C100 H128 Cl8 N8 O20 -","4","1","","Cho, Ji Young; Kwon, Hak Cheol; Williams, Philip G.; Jensen, Paul R.; Fenical, William","Azamerone, a terpenoid phthalazinone from a marine-derived bacterium related to the genus Streptomyces (Actinomycetales).","Organic letters","2006","8","12","2471","2474","10.1021/ol060630r","","","0.71073","MoKα","","0.0703","0.0507","","","0.1199","0.1294","","","","","","1.077","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505977","12.499","0.004","12.818","0.004","24.388","0.008","90","","104.85","","90","","3777","2","173","2","173","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","bisimpyrcuclo4bindingpyridine2aldehyde","","","- C35 H36 Cl2 Cu N6 O12 -","- C35 H36 Cl2 Cu N6 O12 -","- C140 H144 Cl8 Cu4 N24 O48 -","4","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.0587","0.0473","","","0.1258","0.1364","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505978","29.974","0.005","7.5925","0.0011","32.831","0.007","90","","115.893","0.002","90","","6722","2","173","2","173","2","","","","","","","synthesized","6","I 1 a 1","I -2ya","9","bisimidazolepyridinecudimer","","","- C70 H73 Cl2 Cu N13 O12 -","- C66 H68.5 Cl2 Cu N12.5 O12 -","- C264 H274 Cl8 Cu4 N50 O48 -","4","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.0693","0.0578","","","0.1681","0.1762","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505979","9.7166","0.0018","10.7129","0.0019","17.105","0.003","74.833","0.003","81.818","0.003","85.861","0.003","1699.9","0.5","173","2","173","2","","","","","","","synthesized","6","P -1","-P 1","2","Bisimadazole copper perchlorate acetone","","","- C32 H35 Cl2 Cu N5 O11 -","- C32 H35 Cl2 Cu N5 O11 -","- C64 H70 Cl4 Cu2 N10 O22 -","2","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.0444","0.0391","","","0.1062","0.1108","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505980","10.84","0.003","33.593","0.009","10.848","0.003","90","","93.378","0.005","90","","3943.4","1.9","173","2","173","2","","","","","","","Synthesized","6","P 1 21/c 1","-P 2ybc","14","BisimidazoleCupperpyridineperchlorate","","","- C37 H42 Cl2 Cu N6 O12 -","- C37 H40 Cl2 Cu N6 O12 -","- C148 H160 Cl8 Cu4 N24 O48 -","4","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.1399","0.0529","","","0.1146","0.148","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505981","7.4101","0.0002","10.279","0.0002","10.2887","0.0003","77.3182","0.0016","79.7927","0.0016","81.7076","0.0016","747.91","0.03","200","","200","","","","","","","","?","5","P -1","-P 1","2","","","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C34 H40 Cl2 N2 O6 -","2","1","","Stanislawski, Pauline C.; Willis, Anthony C.; Banwell, Martin G.","New protocols for the assembly of the tetracyclic framework associated with the aromatic erythrina alkaloids.","Organic letters","2006","8","10","2143","2146","10.1021/ol060642c","","","0.71073","MoKα","","0.0372","0.0302","","0.0411","0.0381","0.0381","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505982","6.9258","0.0008","8.8531","0.0011","17.129","0.002","90","","90","","90","","1050.3","0.2","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N -","- C14 H15 N -","- C56 H60 N4 -","4","1","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0771","0.0593","","","0.1492","0.1699","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505983","8.1823","0.0008","10.251","0.001","12.702","0.0013","91.707","0.002","105.15","0.003","101.572","0.003","1003.66","0.17","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 F3 N O5 S -","- C19 H22 F3 N O5 S -","- C38 H44 F6 N2 O10 S2 -","2","1","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0783","0.0633","","","0.1845","0.2016","","","","","","1.131","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505984","18.451","0.003","8.185","0.001","13.7757","0.0017","90","","101.249","0.004","90","","2040.5","0.5","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H29 N O -","- C27 H29 N O -","- C108 H116 N4 O4 -","4","1","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0346","0.0313","","","0.0708","0.0724","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505985","9.0004","0.0008","6.8284","0.0006","15.7613","0.0014","90","","90","","90","","968.66","0.15","143","1","143","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C13 H13 N -","- C13 H13 N -","- C52 H52 N4 -","4","0.5","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0514","0.0371","","","0.0911","0.1013","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505986","17.006","0.003","9.2753","0.0016","17.1","0.004","90","","105.239","0.005","90","","2602.4","0.9","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C136 H136 N8 O8 -","8","2","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.1253","0.1162","","","0.3065","0.324","","","","","","1.348","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505987","14.2546","0.0014","14.3641","0.0014","17.5605","0.0017","111.433","0.002","98.995","0.002","102.094","0.002","3163.7","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.18 H36.37 Cl0.37 N2 O9 S2 -","- C31.185 H36.37 Cl0.37 N2 O9 S2 -","- C124.74 H145.48 Cl1.48 N8 O36 S8 -","4","2","","Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T.","Macrocycle ring expansion by double Stevens rearrangement.","Organic letters","2006","8","12","2511","2514","10.1021/ol060657a","","","0.71073","MoKα","","0.1079","0.0872","","","0.2218","0.2399","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505988","9.5255","0.0003","10.5137","0.0003","16.1411","0.0007","103.771","0.002","99.338","0.002","110.545","0.001","1415.47","0.09","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H36 N2 O9 -","- C31 H36 N2 O9 -","- C62 H72 N4 O18 -","2","1","","Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T.","Macrocycle ring expansion by double Stevens rearrangement.","Organic letters","2006","8","12","2511","2514","10.1021/ol060657a","","","0.71073","MoKα","","0.0534","0.0398","","","0.1","0.1096","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505989","8.178","0.0003","12.3849","0.0004","25.8621","0.0009","90","","90","","90","","2619.41","0.16","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T.","Macrocycle ring expansion by double Stevens rearrangement.","Organic letters","2006","8","12","2511","2514","10.1021/ol060657a","","","0.71073","MoKα","","0.0479","0.0371","","","0.1043","0.1106","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505990","12.1529","0.001","30.119","0.003","9.3248","0.0008","90","","112.56","","90","","3152","0.5","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl N2 Na Ni O13 -","- C30 H32 Cl N2 Na Ni O13 -","- C120 H128 Cl4 N8 Na4 Ni4 O52 -","4","1","","Yoon, Il; Narita, Mamiko; Goto, Midori; Shimizu, Toshimi; Asakawa, Masumi","Synthesis of a [2]rotaxane incorporating a Ni(II)-salen moiety: evidence of ring-opening-and-closing protocol.","Organic letters","2006","8","11","2341","2344","10.1021/ol060661m","","","0.71073","MoKα","","0.0398","0.0338","","","0.0987","0.1035","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505991","36.115","0.002","13.8424","0.0008","30.5377","0.0019","90","","115.058","0.002","90","","13829.5","1.4","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H75 Cl2 N5 Na2 Ni2 O28 -","- C62 H67 Cl2 N5 Na2 Ni2 O28 -","- C496 H536 Cl16 N40 Na16 Ni16 O224 -","8","1","","Yoon, Il; Narita, Mamiko; Goto, Midori; Shimizu, Toshimi; Asakawa, Masumi","Synthesis of a [2]rotaxane incorporating a Ni(II)-salen moiety: evidence of ring-opening-and-closing protocol.","Organic letters","2006","8","11","2341","2344","10.1021/ol060661m","","","0.71073","MoKα","","0.1205","0.0885","","","0.2491","0.2715","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505992","18.862","0.003","22.782","0.003","19.734","0.003","90","","92.067","0.003","90","","8474","2","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84.5 H93 Cl3 N3 Ni O24 P2 -","- C84.5 H90 Cl3 N3 Ni O24 P2 -","- C338 H360 Cl12 N12 Ni4 O96 P8 -","4","2","","Yoon, Il; Narita, Mamiko; Goto, Midori; Shimizu, Toshimi; Asakawa, Masumi","Synthesis of a [2]rotaxane incorporating a Ni(II)-salen moiety: evidence of ring-opening-and-closing protocol.","Organic letters","2006","8","11","2341","2344","10.1021/ol060661m","","","0.71073","MoKα","","0.1934","0.1234","","","0.307","0.3641","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505993","10.5557","0.0009","11.3404","0.001","15.57","0.0013","90","","108.636","0.002","90","","1766.1","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 N O6 S Si -","- C32 H50 N O6 S Si -","- C64 H100 N2 O12 S2 Si2 -","2","1","","García-Fortanet, Jorge; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Stereoselective synthesis of the cytotoxic macrolide FD-891.","Organic letters","2006","8","13","2695","2698","10.1021/ol060669w","","","0.71073","MoKα","","0.1685","0.0599","","","0.1116","0.1421","","","","","","0.953","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505994","5.1281","0.0009","17.586","0.003","9.3323","0.0016","90","","95.199","0.002","90","","838.2","0.3","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6,13-Bis(methylthio)pentacene","6,13-Bis(methylthio)pentacene","","- C24 H18 S2 -","- C24 H18 S2 -","- C48 H36 S4 -","2","0.5","","Kobayashi, Kenji; Shimaoka, Reishi; Kawahata, Masatoshi; Yamanaka, Masamichi; Yamaguchi, Kentaro","Synthesis and cofacial pi-stacked packing arrangement of 6,13-bis(alkylthio)pentacene.","Organic letters","2006","8","11","2385","2388","10.1021/ol060679x","","","0.71073","MoKα","","0.0578","0.0407","","","0.1047","0.1126","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505995","10.899","0.001","11.019","0.001","15.357","0.001","90","0.002","92.158","0.002","90","0.002","1843","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-methoxy-3,3-dimethyl-4,8-di(thiophen-2-yl)chroman-2-one","","- C20 H18 O3 S2 -","- C20 H18 O3 S2 -","- C80 H72 O12 S8 -","4","1","","Barluenga, José; Andina, Facundo; Aznar, Fernando","Unprecedented reactivity pattern of chromium fischer carbene complexes. Direct application to one-pot synthesis of 4-aryl-3,4-dihydrocoumarins on a multigram scale.","Organic letters","2006","8","13","2703","2706","10.1021/ol060702e","","","0.71073","MoKα","","0.1251","0.0791","","","0.2498","0.2904","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505996","7.4658","0.0018","7.624","0.002","12.073","0.003","99.855","0.01","97.556","0.01","96.977","0.009","663.8","0.3","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H15 N O2 S3 -","- C12 H15 N O2 S3 -","- C24 H30 N2 O4 S6 -","2","1","","Eid, Samar; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Trithiaazafulvalene: a promising building block between tetrathiafulvalene and dithiadiazafulvalene.","Organic letters","2006","8","11","2377","2380","10.1021/ol060705r","","x-ray","0.71073","MoKα","","0.1288","0.0628","","","0.1439","0.1683","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505997","7.3439","0.0005","7.4671","0.0005","12.4818","0.0008","90.986","0.005","103.213","0.005","111.187","0.005","617.54","0.08","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C11 H12 N2 S3 -","- C11 H12 N2 S3 -","- C22 H24 N4 S6 -","2","1","","Eid, Samar; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Trithiaazafulvalene: a promising building block between tetrathiafulvalene and dithiadiazafulvalene.","Organic letters","2006","8","11","2377","2380","10.1021/ol060705r","","x-ray","0.71073","MoKα","","0.0674","0.0369","","","0.0872","0.1012","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505998","9.9722","0.0003","15.9458","0.0005","11.1555","0.0004","90","","115.648","0.001","90","","1599.11","0.09","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O5 S3 -","- C13 H15 N O5 S3 -","- C52 H60 N4 O20 S12 -","4","1","","Eid, Samar; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Trithiaazafulvalene: a promising building block between tetrathiafulvalene and dithiadiazafulvalene.","Organic letters","2006","8","11","2377","2380","10.1021/ol060705r","","x-ray","0.71073","MoKα","","0.0347","0.031","","","0.0863","0.0885","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505999","31.7102","0.0011","31.7102","0.0011","9.791","0.0008","90","","90","","120","","8526.2","0.8","100","1","100","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H38 N2 O10 -","- C40 H36 N2 O10 -","- C360 H324 N18 O90 -","9","0.5","","Lavin, Judith M.; Shimizu, Ken D.","Rapid screening of a receptor with molecular memory.","Organic letters","2006","8","11","2389","2392","10.1021/ol060706j","","","0.71073","MoKα","","0.0931","0.0522","","","0.084","0.0933","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506000","11.551","0.003","17.594","0.004","13.979","0.003","90","","99.739","0.003","90","","2800","1.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N3 O -","- C36 H31 N3 O -","- C144 H124 N12 O4 -","4","1","","Fritz, Jonathan A.; Nakhla, Josephine S.; Wolfe, John P.","A new synthesis of imidazolidin-2-ones via Pd-catalyzed carboamination of N-allylureas.","Organic letters","2006","8","12","2531","2534","10.1021/ol060707b","","","0.71073","MoKα","","0.0703","0.0414","","","0.0932","0.1037","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506001","11.504","0.002","15.323","0.003","18.698","0.004","90","","98.95","0.03","90","","3255.9","1.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H27 N3 O6 -","- C42 H27 N3 O6 -","- C168 H108 N12 O24 -","4","1","","Zhang, Xin-Ran; Chao, Wei; Chuai, Yu-Tao; Ma, Yan; Hao, Rui; Zou, De-Chun; Wei, Yong-Ge; Wang, Yuan","A new N-type organic semiconductor synthesized by knoevenagel condensation of truxenone and ethyl cyanoacetate.","Organic letters","2006","8","12","2563","2566","10.1021/ol060756o","","","0.71073","MoKα","","0.1297","0.0473","","","0.1019","0.1192","","","","","","0.883","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506002","9.442","0.0019","14.643","0.003","23.704","0.005","90","","93.98","0.03","90","","3269.4","1.2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H27 N3 O6 -","- C42.004 H27 N3 O6 -","- C168.016 H108 N12 O24 -","4","1","","Zhang, Xin-Ran; Chao, Wei; Chuai, Yu-Tao; Ma, Yan; Hao, Rui; Zou, De-Chun; Wei, Yong-Ge; Wang, Yuan","A new N-type organic semiconductor synthesized by knoevenagel condensation of truxenone and ethyl cyanoacetate.","Organic letters","2006","8","12","2563","2566","10.1021/ol060756o","","","0.71073","MoKα","","0.2092","0.0592","","","0.0884","0.1152","","","","","","0.865","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506003","31.35","0.002","19.1542","0.0015","11.9956","0.0009","90","","97.422","0.003","90","","7142.8","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","hexa-p-tertbutyl-5,5'-bi-calix[4]arene","","","- C82 H98 Cl4 O8 -","- C82 H98 Cl4 O8 -","- C328 H392 Cl16 O32 -","4","0.5","","Iglesias-Sánchez, José Carlos; Fragoso, Alex; de Mendoza, Javier; Prados, Pilar","Aryl-aryl linked bi-5,5'-p-tert-butylcalix[4]arene tweezer for fullerene complexation.","Organic letters","2006","8","12","2571","2574","10.1021/ol0607591","","","1.54178","CuKα","","0.1685","0.0795","","","0.2016","0.2518","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506004","11.27","0.003","12.232","0.002","14.711","0.004","79.995","0.014","85.859","0.019","69.207","0.017","1866.9","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H30 B Cl2 F4 Li N4 -","- C45 H30 B Cl2 F4 Li N4 -","- C90 H60 B2 Cl4 F8 Li2 N8 -","2","1","","Cissell, Julie A.; Vaid, Thomas P.; Yap, Glenn P. A.","The doubly oxidized, antiaromatic tetraphenylporphyrin complex [Li(TPP)][BF4].","Organic letters","2006","8","11","2401","2404","10.1021/ol060772l","","","0.71073","MoKα","","0.0571","0.0451","","","0.0973","0.1075","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506005","8.804","0.002","11.544","0.003","20.381","0.011","90","","90","","90","","2071.4","1.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br F3 N O P -","- C21 H18 Br F3 N O P -","- C84 H72 Br4 F12 N4 O4 P4 -","4","1","","Lauzon, Caroline; Charette, André B","Catalytic asymmetric synthesis of alpha,alpha,alpha-trifluoromethylamines by the copper-catalyzed nucleophilic addition of diorganozinc reagents to imines.","Organic letters","2006","8","13","2743","2745","10.1021/ol0607847","","","1.54178","CuKα","","0.0749","0.0298","","","0.0379","0.0473","","","","","","0.501","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506006","9.775","0.0011","11.6681","0.0017","16.514","0.003","76.168","0.01","83.721","0.01","74.411","0.01","1759.6","0.5","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 Cl F -","- C20 H26 Cl F -","- C80 H104 Cl4 F4 -","4","2","","Xu, Jianjun; Wang, Yi; Burton, Donald J.","Site-specific preparation of 3-fluoro-1-substituted-naphthalenes via a novel base-catalyzed cyclization reaction from (E)-monofluoroenynes.","Organic letters","2006","8","12","2555","2558","10.1021/ol060785z","","","0.71073","MoKα","","0.1141","0.0542","","","0.0947","0.113","","","","","","1.112","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506007","7.046","0.004","15.999","0.01","26.916","0.016","90","","90","","90","","3034","3","213","2","213","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H22 N4 O3 -","- C14 H22 N4 O3 -","- C112 H176 N32 O24 -","8","1","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.1536","0.1479","","","0.3331","0.3383","","","","","","1.163","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506008","6.0458","0.0013","19.101","0.004","12.283","0.002","90","","104.201","0.004","90","","1375.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O2 -","- C14 H20 N4 O2 -","- C56 H80 N16 O8 -","4","1","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.1567","0.0573","","","0.1363","0.1667","","","","","","0.772","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506009","9.1721","0.0007","9.4004","0.0007","10.7902","0.0008","102.07","0.001","115.017","0.001","92.109","0.001","816.15","0.11","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H46 N10 O6 -","- C28 H46 N10 O6 -","- C28 H46 N10 O6 -","1","0.5","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.059","0.0489","","","0.1322","0.1443","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506010","10.2709","0.0006","10.8236","0.0006","11.1705","0.0007","65.76","0.001","88.031","0.001","78.345","0.001","1107.33","0.11","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H62 N10 O8 S4 -","- C34 H62 N10 O8 S4 -","- C34 H62 N10 O8 S4 -","1","0.5","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.0511","0.0425","","","0.1127","0.1157","","","","","","1.167","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506011","10.181","0.004","11.863","0.004","14.548","0.005","95.352","0.007","107.107","0.006","106.137","0.006","1583.6","1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 B F3 N4 O S -","- C32 H44 B F3 N4 O S -","- C64 H88 B2 F6 N8 O2 S2 -","2","1","","Hudnall, Todd W.; Melaïmi, Mohand; Gabbaï, François P","Hybrid Lewis acid/hydrogen-bond donor receptor for fluoride.","Organic letters","2006","8","13","2747","2749","10.1021/ol060791v","","","0.71073","MoKα","","0.0764","0.0595","","","0.1322","0.1399","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506012","8.481","0.003","11.804","0.004","12.288","0.005","99.518","0.007","106.156","0.006","94.747","0.009","1154.5","0.7","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 B F3 N O -","- C26 H27 B F3 N O -","- C52 H54 B2 F6 N2 O2 -","2","1","","Hudnall, Todd W.; Melaïmi, Mohand; Gabbaï, François P","Hybrid Lewis acid/hydrogen-bond donor receptor for fluoride.","Organic letters","2006","8","13","2747","2749","10.1021/ol060791v","","","0.71073","MoKα","","0.0775","0.0641","","","0.1288","0.1346","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506013","10.108","0.002","11.843","0.002","12.309","0.003","96.43","0.003","91.237","0.004","111.589","0.003","1358.4","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 B F3 N2 O2 -","- C29 H34 B F3 N2 O2 -","- C58 H68 B2 F6 N4 O4 -","2","1","","Hudnall, Todd W.; Melaïmi, Mohand; Gabbaï, François P","Hybrid Lewis acid/hydrogen-bond donor receptor for fluoride.","Organic letters","2006","8","13","2747","2749","10.1021/ol060791v","","","0.71073","MoKα","","0.0901","0.07","","","0.1658","0.1746","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506014","15.6963","0.001","10.9386","0.0007","22.5637","0.0014","90","","90.842","0.001","90","","3873.7","0.4","171","2","171","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound 11e","5,17,25,27-tetraaza-11,23-dimethyl-2,8,14,20-tetraoxacalix[4]arene","","- C22 H16 N4 O4 -","- C22 H16 N4 O4 -","- C176 H128 N32 O32 -","8","1","","Katz, Jeffrey L.; Geller, Bram J.; Conry, Rebecca R.","Synthesis of oxacalixarenes incorporating nitrogen heterocycles: evidence for thermodynamic control.","Organic letters","2006","8","13","2755","2758","10.1021/ol060823e","","","0.71073","MoKα","","0.0555","0.0461","","","0.1307","0.1373","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506015","10.455","0.002","17.755","0.004","22.107","0.004","90","","90","","90","","4103.7","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H46 N6 O4 Zn -","- C48.7 H44 N6 O4 Zn -","- C194.8 H176 N24 O16 Zn4 -","4","1","","Atkins, Jeffery M.; Moteki, Shin A.; Dimagno, Stephen G.; Takacs, James M.","Single enantiomer, chiral donor-acceptor metal complexes from bisoxazoline pseudoracemates.","Organic letters","2006","8","13","2759","2762","10.1021/ol060836s","","","0.71073","MoKα","","0.0591","0.0554","","","0.1374","0.1397","","","","","","1.096","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506016","10.9538","0.0011","13.767","0.0013","14.2985","0.0014","85.063","0.002","69.181","0.001","79.617","0.001","1981.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 N4 O4 Zn -","- C50 H42 N4 O4 Zn -","- C100 H84 N8 O8 Zn2 -","2","1","","Atkins, Jeffery M.; Moteki, Shin A.; Dimagno, Stephen G.; Takacs, James M.","Single enantiomer, chiral donor-acceptor metal complexes from bisoxazoline pseudoracemates.","Organic letters","2006","8","13","2759","2762","10.1021/ol060836s","","","0.71073","MoKα","","0.0346","0.0315","","","0.0815","0.0832","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506017","4.928","0.002","16.368","0.006","10.973","0.004","90","","93.41","0.03","90","","883.5","0.6","123.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","2S,3Z,8R-7-Oxo-deepoxysarcophytoxide","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Nii, Keiji; Tagami, Keiko; Matsuoka, Keisuke; Munakata, Tatsuo; Ooi, Takashi; Kusumi, Takenori","Unusual transannular cyclization products of sarcophytoxide, a 14-membered marine cembranoid: anomalous stereochemistry of epoxide-ketone rearrangement.","Organic letters","2006","8","14","2957","2960","10.1021/ol0608404","","","0.7107","MoKα","","","0.038","","","","0.056","","","","","","1.001","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506018","10.863","0.004","8.753","0.003","14.46","0.005","90","","105.59","0.03","90","","1324.3","0.8","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid 1-isopropyl-4,7,11-trimethyl- 5,6,7,8,9,10-hexahydro-benzocyclodecen-8-yl ester","","","- C30 H37 F3 O3 -","- C30 H37 F3 O3 -","- C60 H74 F6 O6 -","2","1","","Nii, Keiji; Tagami, Keiko; Matsuoka, Keisuke; Munakata, Tatsuo; Ooi, Takashi; Kusumi, Takenori","Unusual transannular cyclization products of sarcophytoxide, a 14-membered marine cembranoid: anomalous stereochemistry of epoxide-ketone rearrangement.","Organic letters","2006","8","14","2957","2960","10.1021/ol0608404","","","0.7107","MoKα","","","0.032","","","","0.043","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506019","9.697","0.002","11.333","0.003","31.449","0.009","90","","90","","90","","3456.1","1.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O3 -","- C20.001 H28 O3 -","- C160.008 H224 O24 -","8","2","","Pan, Li; Zhou, Ping; Zhang, Xiaofeng; Peng, Shulin; Ding, Lisheng; Qiu, Samuel X.","Skeleton-rearranged pentacyclic diterpenoids possessing a cyclobutane ring from Euphorbia wallichii.","Organic letters","2006","8","13","2775","2778","10.1021/ol0608552","","","0.71073","MoKα","","0.0983","0.0498","","","0.0981","0.1099","","","","","","0.901","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506020","9.7039","0.0006","10.3408","0.0007","11.1503","0.0007","66.837","0.001","76.731","0.001","76.498","0.001","988.33","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O3 -","- C28 H20 O3 -","- C56 H40 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0481","0.0432","","","0.1117","0.1156","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506021","9.8486","0.0007","10.909","0.0008","12.3327","0.0009","98.399","0.001","94.286","0.001","94.743","0.001","1301.23","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H26 O3 -","- C37 H26 O3 -","- C74 H52 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0554","0.0466","","","0.1186","0.1252","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506022","9.5126","0.0006","9.8661","0.0014","14.6056","0.0012","82.553","0.005","83.598","0.002","78.989","0.007","1328.9","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 Br2 O3 -","- C33 H22 Br2 O3 -","- C66 H44 Br4 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0528","0.041","","","0.1022","0.1074","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506023","9.6793","0.0006","10.6282","0.0006","14.0039","0.0008","84.102","0.001","87.997","0.001","76.156","0.001","1391.3","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H24 Br2 O3 -","- C37 H24 Br2 O3 -","- C74 H48 Br4 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0291","0.0261","","","0.0711","0.0727","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506024","34.6386","0.0016","10.9975","0.0007","18.8602","0.0009","90","","98.613","0.001","90","","7103.5","0.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H28 Br3 O6 -","- C44 H28 Br3 O6 -","- C352 H224 Br24 O48 -","8","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0843","0.048","","","0.1083","0.1201","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506025","10.699","0.002","16.752","0.003","9.5269","0.0018","90","","90","","90","","1707.5","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","1","","Xie, Ling-Hai; Liu, Feng; Tang, Chao; Hou, Xiao-Ya; Hua, Yu-Ran; Fan, Qu-Li; Huang, Wei","Unexpected one-pot method to synthesize spiro[fluorene-9,9'-xanthene] building blocks for blue-light-emitting materials.","Organic letters","2006","8","13","2787","2790","10.1021/ol060871z","","","0.71073","MoKα","","0.0402","0.0338","","","0.0882","0.0923","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506026","9.0868","0.0016","9.7252","0.0018","9.844","0.0017","90","","107.272","0.013","90","","830.7","0.3","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C17 H19 Cl N2 S -","- C17 H19 Cl N2 S -","- C34 H38 Cl2 N4 S2 -","2","1","","Zhu, Yulin; Huang, Shenlin; Wan, Jieping; Yan, Lei; Pan, Yuanjiang; Wu, Anxin","Two novel diastereoselective three-component reactions of alkenes or 3,4-dihydro-(2H)-pyran with urea/thiourea-aldehyde mixtures: [4 + 2] cycloaddition vs Biginelli-type reaction.","Organic letters","2006","8","12","2599","2602","10.1021/ol060874b","","","0.71073","MoKα","","0.0324","0.028","","","0.0669","0.0682","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506027","8.046","0.0014","14.953","0.003","16.805","0.003","80.884","0.008","76.657","0.008","75.271","0.008","1891.9","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H33 Cl3 -","- C50 H33 Cl3 -","- C100 H66 Cl6 -","2","1","","Karlen, Steven D.; Godinez, Carlos E.; Garcia-Garibay, Miguel A","Improved physical properties and rotational dynamics in a molecular gyroscope with an asymmetric stator structure.","Organic letters","2006","8","16","3417","3420","10.1021/ol060894d","","","0.71073","MoKα","","0.1106","0.0529","","","0.1088","0.1291","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506028","9.9053","0.0002","13.1534","0.0003","17.1989","0.0004","90","","90","","90","","2240.82","0.09","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C104 H112 N8 O8 -","4","1","","Focken, Thilo; Charette, André B","Stereoselective synthesis of pyridinones: application to the synthesis of (-)-barrenazines.","Organic letters","2006","8","14","2985","2988","10.1021/ol0609006","","","1.54178","CuKα","","0.0284","0.028","","","0.0727","0.073","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506029","9.051","0.003","8.794","0.002","25.949","0.009","90","","90.87","0.03","90","","2065.2","1.1","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C20 H27 I N2 O2 -","- C20 H27 I N2 O2 -","- C80 H108 I4 N8 O8 -","4","2","","Focken, Thilo; Charette, André B","Stereoselective synthesis of pyridinones: application to the synthesis of (-)-barrenazines.","Organic letters","2006","8","14","2985","2988","10.1021/ol0609006","","","1.54178","CuKα","","0.0677","0.059","","","0.137","0.1419","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506030","8.314","0.002","20.024","0.001","10.969","0.001","90","","102.5","0.01","90","","1782.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu","Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations.","Organic letters","2006","8","15","3167","3170","10.1021/ol060912r","","","1.5418","CuKα","","0.0667","0.0441","","","0.1163","0.1274","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506031","7.996","0.005","17.12","0.009","12.331","0.007","90","","105.079","0.002","90","","1629.9","1.6","120","2","120","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","","Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu","Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations.","Organic letters","2006","8","15","3167","3170","10.1021/ol060912r","","","0.7107","MoKα","","0.0627","0.0599","","","0.1584","0.1598","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506032","10.7767","0.0007","11.674","0.0007","20.8192","0.0013","80.392","0.004","86.826","0.004","76.503","0.003","2510.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","hexyl bromo calixarene, acetonitrile","","- C54 H63 Br4 N O8 -","- C54 H63 Br4 N O8 -","- C108 H126 Br8 N2 O16 -","2","1","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.0424","0.033","","","0.0823","0.0877","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506033","10.4432","0.0015","15.049","0.002","16.32","0.002","90","","97.977","0.003","90","","2540","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexyl bromo calixarene, dichloromethane","","- C53 H62 Br4 Cl2 O8 -","- C53 H62 Br4 Cl2 O8 -","- C106 H124 Br8 Cl4 O16 -","2","1","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.1046","0.0447","","","0.0596","0.0674","","","","","","0.735","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506034","18.3708","0.0007","18.3708","0.0007","19.8745","0.0015","90","","90","","90","","6707.4","0.6","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","NS 1 pentyl calixarene + acetonitrile","","- C78 H85 N7 O8 -","- C78 H85 N7 O8 -","- C312 H340 N28 O32 -","4","0.5","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.0744","0.0514","","","0.1234","0.1353","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506035","23.356","0.0016","22.1519","0.0016","25.5165","0.0016","90","","94.302","0.004","90","","13164.5","1.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","NS 14 pentyl calixarene (+ octanedioic acid)","","- C75.5 H90 N4 O11.5 -","- C75.5 H90 N4 O11.5 -","- C604 H720 N32 O92 -","8","2","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.2531","0.0929","","","0.2051","0.268","","","","","","0.957","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506036","8.5273","0.0007","12.8564","0.001","20.441","0.0016","90","","90","","90","","2241","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","06013","","","- C23 H27 N O8 -","- C23 H27 N O8 -","- C92 H108 N4 O32 -","4","1","","Sydorenko, Nadiya; Hsung, Richard P.; Vera, Eymi L.","Torquoselective 6pi-electron electrocyclic ring closure of 1-azatrienes containing acyclic chirality at the C-terminus.","Organic letters","2006","8","12","2611","2614","10.1021/ol060932t","","","0.71073","MoKα","","0.0377","0.0288","","","0.0646","0.07","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506037","10.458","0.0003","17.824","0.0005","21.122","0.0007","90","","90","","90","","3937.2","0.2","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37.4 H45.85 Cl2.95 N2 O7 -","- C37.4 H45.85 Cl2.95 N2 O7 -","- C149.6 H183.4 Cl11.8 N8 O28 -","4","1","","McCubbin, J. Adam; Maddess, Matthew L.; Lautens, Mark","Total synthesis of cryptophycin analogues via a scaffold approach.","Organic letters","2006","8","14","2993","2996","10.1021/ol0609356","","","0.71073","MoKα","","0.1032","0.0479","","","0.0953","0.1167","","","","","","1.038","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506038","37.51","0.03","9.04","0.02","11.09","0.02","90","","103.8","0.2","90","","3652","11","296.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C160 H192 O32 -","8","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.1094","","","","0.2667","","","","","","1.856","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506039","9.238","0.002","13.245","0.002","13.418","0.002","90","","93.79","0.01","90","","1638.2","0.5","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.053","","","","0.1336","","","","","","1.198","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506040","16.779","0.003","23.256","0.003","8.243","0.003","90","","90","","90","","3216.5","1.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.0562","","","","0.1497","","","","","","1.243","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506041","27.767","0.003","6.363","0.003","18.784","0.003","90","","119.888","0.007","90","","2877.4","1.5","296.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C136 H128 O24 -","8","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.0545","","","","0.1525","","","","","","1.199","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506042","8.7871","0.0003","12.6298","0.0004","13.6796","0.0005","90","","96.098","0.001","90","","1509.56","0.09","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.0684","","","","0.1607","","","","","","2.354","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506043","10.75","0.002","10.912","0.002","17.685","0.004","91.03","0.03","104.31","0.03","107.76","0.03","1904.5","0.8","373","2","373","2","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H39 F8 N6 O4 -","- C40.04 H35 F8 N6 O4 -","- C80.08 H70 F16 N12 O8 -","2","1","","Samaroo, Diana; Soll, Clifford E.; Todaro, Louis J.; Drain, Charles M.","Efficient microwave-assisted synthesis of amine-substituted tetrakis(pentafluorophenyl)porphyrin.","Organic letters","2006","8","22","4985","4988","10.1021/ol060946z","","","0.71073","MoKα","","0.1233","0.068","","","0.1305","0.1524","","","","","","1.026","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506044","8.6243","0.0011","12.1688","0.0016","20.438","0.003","90","","100.164","0.003","90","","2111.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Chen, Hung-Wei; Hsu, Ru-Ting; Chang, Meng-Yang; Chang, Nein-Chen","Efficient synthesis of fused bicyclic glutarimides. Its application to (+/-)-alloyohimbane and louisianin D.","Organic letters","2006","8","14","3033","3035","10.1021/ol060958k","","","0.71073","MoKα","","0.0584","0.0411","","","0.1166","0.129","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506045","19.552","0.002","7.7459","0.0008","13.2549","0.0014","90","","97.737","0.002","90","","1989.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Chen, Hung-Wei; Hsu, Ru-Ting; Chang, Meng-Yang; Chang, Nein-Chen","Efficient synthesis of fused bicyclic glutarimides. Its application to (+/-)-alloyohimbane and louisianin D.","Organic letters","2006","8","14","3033","3035","10.1021/ol060958k","","","0.71073","MoKα","","0.0753","0.0509","","","0.1471","0.1678","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506046","8.0128","0.0008","17.9993","0.0019","14.4781","0.0015","90","","100.899","0.002","90","","2050.4","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O3 Si -","- C20 H32 O3 Si -","- C80 H128 O12 Si4 -","4","1","","Thornton, Paul D.; Burnell, D. Jean","A Pauson-Khand and ring-expansion approach to the aquariane ring system.","Organic letters","2006","8","15","3195","3198","10.1021/ol0609715","","","0.71073","MoKα","","0.0744","0.0593","","","0.1613","0.1733","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506047","10.2128","0.001","14.5819","0.0014","26.706","0.003","90","","90","","90","","3977.1","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H32 O3 Si -","- C20 H32 O3 Si -","- C160 H256 O24 Si8 -","8","1","","Thornton, Paul D.; Burnell, D. Jean","A Pauson-Khand and ring-expansion approach to the aquariane ring system.","Organic letters","2006","8","15","3195","3198","10.1021/ol0609715","","","0.71073","MoKα","","0.0667","0.0564","","","0.1571","0.1683","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506048","13.2975","0.0011","6.2587","0.0004","23.837","0.002","90","","104.319","0.002","90","","1922.2","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O3 Si -","- C20 H32 O3 Si -","- C80 H128 O12 Si4 -","4","1","","Thornton, Paul D.; Burnell, D. Jean","A Pauson-Khand and ring-expansion approach to the aquariane ring system.","Organic letters","2006","8","15","3195","3198","10.1021/ol0609715","","","0.7107","MoKα","","0.0799","0.0729","","","0.1987","0.2068","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506049","7.9917","0.0013","10.5745","0.0018","23.462","0.004","90","","90","","90","","1982.7","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H11 Br I N O -","- C7 H11 Br I0.75 N O -","- C56 H88 Br8 I6 N8 O8 -","8","1","","Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong","Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution.","Organic letters","2006","8","12","2647","2650","10.1021/ol060983q","","","0.71073","MoKα","","0.0943","0.0738","","","0.1971","0.2084","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506050","8.0936","0.0006","10.7502","0.0008","23.5836","0.0017","90","","90","","90","","2052","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H11 I2 N O -","- C7 H11 I2 N O -","- C56 H88 I16 N8 O8 -","8","1","","Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong","Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution.","Organic letters","2006","8","12","2647","2650","10.1021/ol060983q","","","0.71073","MoKα","","0.0643","0.0565","","","0.1377","0.1424","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506051","5.763","0.0002","17.0035","0.0008","25.3668","0.0011","90","","90","","90","","2485.72","0.18","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 I N2 O5 -","- C26 H27 I N2 O5 -","- C104 H108 I4 N8 O20 -","4","1","","Surprenant, Simon; Lubell, William D.","From macrocycle dipeptide lactams to azabicyclo[X.Y.0]alkanone amino acids: a transannular cyclization route for peptide mimic synthesis.","Organic letters","2006","8","13","2851","2854","10.1021/ol0609863","","","1.54178","CuKα","","0.0661","0.0354","","","0.0565","0.0627","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506052","11.6497","0.0011","5.8377","0.0006","13.4469","0.0014","90","","100.394","0.005","90","","899.48","0.16","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C16 H25 I N2 O5 -","- C16 H25 I N2 O5 -","- C32 H50 I2 N4 O10 -","2","1","","Surprenant, Simon; Lubell, William D.","From macrocycle dipeptide lactams to azabicyclo[X.Y.0]alkanone amino acids: a transannular cyclization route for peptide mimic synthesis.","Organic letters","2006","8","13","2851","2854","10.1021/ol0609863","","","1.54178","CuKα","","0.1059","0.0998","","","0.2443","0.2546","","","","","","1.005","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506053","6.5081","0.0013","11.812","0.002","27.375","0.006","90","","90","","90","","2104.4","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O -","- C24 H40 N2 O -","- C96 H160 N8 O4 -","4","1","","Pelegrí, Adela Sanchez; Elsegood, Mark R. J.; McKee, Vickie; Weaver, George W.","Unexpected ring expansion of an enantiopure imidazoline carbene ligand.","Organic letters","2006","8","14","3049","3051","10.1021/ol0609917","","","0.71073","MoKα","","0.1109","0.0974","","","0.2399","0.2486","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506054","13.85","0.004","6.406","0.002","13.724","0.004","90","","120.28","0.003","90","","1051.5","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H38 N2 O -","- C23 H38 N2 O -","- C46 H76 N4 O2 -","2","0.5","","Pelegrí, Adela Sanchez; Elsegood, Mark R. J.; McKee, Vickie; Weaver, George W.","Unexpected ring expansion of an enantiopure imidazoline carbene ligand.","Organic letters","2006","8","14","3049","3051","10.1021/ol0609917","","","0.71073","MoKα","","0.0451","0.042","","","0.1098","0.1123","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506055","18.5273","0.0007","10.3442","0.0005","21.1903","0.001","90","","105.931","0.004","90","","3905.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 O P2 Pt -","- C48 H50 O P2 Pt -","- C192 H200 O4 P8 Pt4 -","4","1","","Theophanous, Fanitsa A.; Tasiopoulos, Anastasios J.; Nicolaides, Athanassios; Zhou, Xin; Johnson, William T. G.; Borden, Weston Thatcher","Evidence for the formation of the (Ph3P)2Pt complex of 3,7-dimethyltricyclo[3.3.0.03,7]oct-1(5)-ene, the most highly pyramidalized alkene in a homologous series. Isolation and X-ray structure of the product of the ethanol addition to the complex.","Organic letters","2006","8","14","3001","3004","10.1021/ol060994j","","","0.71073","MoKα","","0.0275","0.0194","","","0.0438","0.0449","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506056","12.005","0.001","18.675","0.001","10.778","0.001","90","","90","","90","","2416.4","0.3","223","2","223","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H37 N O3 -","- C24 H37 N O3 -","- C96 H148 N4 O12 -","4","1","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","1.54178","CuKα","","0.0724","0.0528","","","0.1182","0.1352","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506057","9.914","0.001","14.093","0.001","38.171","0.001","90","","90","","90","","5333.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Br N O3 -","- C27 H34 Br N O3 -","- C216 H272 Br8 N8 O24 -","8","2","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","1.54178","CuKα","","0.0512","0.0478","","","0.1277","0.1315","","","","","","1.043","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506058","11.065","0.001","13.713","0.001","11.397","0.001","90","","103.09","0.01","90","","1684.4","0.3","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H41 N O2 Sn -","- C37 H41 N O2 Sn -","- C74 H82 N2 O4 Sn2 -","2","1","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","0.71073","MoKα","","0.0258","0.0236","","","0.0544","0.0557","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506059","11.1254","0.0006","11.9304","0.0009","17.898","0.0011","82.322","0.005","82.065","0.004","77.051","0.005","2280","0.3","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 Cl N3 P Pd -","- C24 H23 Cl N3 P Pd -","- C96 H92 Cl4 N12 P4 Pd4 -","4","2","","Detz, Remko J.; Heras, Silvia Arévalo; de Gelder, R.; van Leeuwen, Piet W. N. M.; Hiemstra, Henk; Reek, Joost N. H.; van Maarseveen, Jan H.","""Clickphine"": a novel and highly versatile P,N ligand class via click chemistry.","Organic letters","2006","8","15","3227","3230","10.1021/ol061015q","","","0.71073","MoKα","","0.0498","0.0327","","0.0616","0.0565","0.0616","","","1.095","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506060","8.6041","0.0004","8.753","0.0004","11.3766","0.0005","90","","91.616","0.003","90","","856.45","0.07","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O6 -","- C15 H23 N O6 -","- C30 H46 N2 O12 -","2","1","","Alegret, Carlos; Benet-Buchholz, Jordi; Riera, Antoni","Stereodivergent syntheses of conduramines and aminocyclitols.","Organic letters","2006","8","14","3069","3072","10.1021/ol061022e","","","1.54178","CuKα","","0.0414","0.0413","","","0.099","0.0992","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506061","9.76","0.0006","5.6869","0.0004","20.27","0.0013","90","","100.459","0.003","90","","1106.38","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O9 -","- C20 H31 N O9 -","- C40 H62 N2 O18 -","2","1","","Alegret, Carlos; Benet-Buchholz, Jordi; Riera, Antoni","Stereodivergent syntheses of conduramines and aminocyclitols.","Organic letters","2006","8","14","3069","3072","10.1021/ol061022e","","","0.71073","MoKα","","0.0524","0.0439","","","0.1102","0.1165","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506062","13.965","0.003","11.125","0.002","10.379","0.002","90","","93.433","0.003","90","","1609.6","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 F6 N4 O6 S2 -","- C30 H32 F6 N4 O6 S2 -","- C60 H64 F12 N8 O12 S4 -","2","0.5","","Vella, Sarah J.; Tiburcio, Jorge; Gauld, James W.; Loeb, Stephen J.","Push-pull [2]pseudorotaxanes. Electronic control of threading by switching ON/OFF an intramolecular charge transfer.","Organic letters","2006","8","16","3421","3424","10.1021/ol0610338","","","0.71073","MoKα","","0.0574","0.0527","","","0.1454","0.1501","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506063","16.398","0.004","19.247","0.005","7.534","0.002","90","","103.169","0.004","90","","2315.3","1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 F12 N6 O12 S4 -","- C36 H40 F12 N6 O12 S4 -","- C72 H80 F24 N12 O24 S8 -","2","0.5","","Vella, Sarah J.; Tiburcio, Jorge; Gauld, James W.; Loeb, Stephen J.","Push-pull [2]pseudorotaxanes. Electronic control of threading by switching ON/OFF an intramolecular charge transfer.","Organic letters","2006","8","16","3421","3424","10.1021/ol0610338","","","0.71073","MoKα","","0.0922","0.0659","","","0.1824","0.1943","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506064","24.254","0.005","6.6426","0.0012","17.061","0.003","90","","125.009","0.008","90","","2251.3","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","C 1 2 1","C 2y","5","","","","- C23.5 H31 Cl N2 O1.5 -","- C23.5 H31 Cl N2 O1.5 -","- C94 H124 Cl4 N8 O6 -","4","1","","Iden, Hassan S.; Lubell, William D.","1,4-Diazepinone and pyrrolodiazepinone syntheses via homoallylic ketones from cascade addition of vinyl Grignard reagent to alpha-aminoacyl-beta-amino esters.","Organic letters","2006","8","16","3425","3428","10.1021/ol061036k","","","1.54178","CuKα","","0.1464","0.0934","","","0.2344","0.2786","","","","","","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506065","5.3977","0.0006","12.8158","0.0013","24.189","0.003","90","","90","","90","","1673.3","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl N2 O -","- C17 H25 Cl N2 O -","- C68 H100 Cl4 N8 O4 -","4","1","","Iden, Hassan S.; Lubell, William D.","1,4-Diazepinone and pyrrolodiazepinone syntheses via homoallylic ketones from cascade addition of vinyl Grignard reagent to alpha-aminoacyl-beta-amino esters.","Organic letters","2006","8","16","3425","3428","10.1021/ol061036k","","","1.54178","CuKα","","0.0741","0.0429","","","0.0915","0.1067","","","","","","0.998","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506066","25.699","0.005","9.435","0.0019","15.604","0.003","90","","98.96","0.03","90","","3737.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 F3 N3 O3 -","- C18 H14 F3 N3 O3 -","- C144 H112 F24 N24 O24 -","8","1","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.0883","0.0404","","","0.0804","0.0873","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506067","13.072","0.003","7.8287","0.0016","15.19","0.003","90","","97.86","0.03","90","","1539.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F3 N3 O3 -","- C14 H14 F3 N3 O3 -","- C56 H56 F12 N12 O12 -","4","1","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.068","0.0416","","","0.1012","0.108","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506068","11.279","0.002","13.083","0.003","13.556","0.003","101.72","0.03","108.92","0.03","106.31","0.03","1718.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 F3 N O3 -","- C18 H14 F3 N O3 -","- C72 H56 F12 N4 O12 -","4","2","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.1318","0.0559","","","0.1296","0.1475","","","","","","0.997","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506069","10.701","0.002","9.1912","0.0018","17.628","0.004","90","","90.69","0.03","90","","1733.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F3 N O3 -","- C18 H14 F3 N O3 -","- C72 H56 F12 N4 O12 -","4","1","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.0989","0.0379","","","0.0745","0.0838","","","","","","0.955","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506070","5.7583","0.001","8.5763","0.0015","30.482","0.006","90","","90.316","0.004","90","","1505.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","","Liu, Yuanhong; Liu, Meina; Guo, Shenghai; Tu, Huamin; Zhou, Yebing; Gao, Hongjun","Gold-catalyzed highly efficient access to 3(2H)-furanones from 2-oxo-3-butynoates and related compounds.","Organic letters","2006","8","16","3445","3448","10.1021/ol061059z","","","0.71073","MoKα","","0.1379","0.0457","","","0.0583","0.0734","","","","","","0.76","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506071","10.6655","0.0004","9.6467","0.0004","17.6175","0.0007","90","","91.198","0.001","90","","1812.21","0.12","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O7 -","- C19 H23 N O7 -","- C76 H92 N4 O28 -","4","1","","Shukla, Krupa H.; Boehmler, Debra J.; Bogacyzk, Suzanne; Duvall, Bridget R.; Peterson, William A.; McElroy, William T.; Deshong, Philip","Application of palladium-catalyzed allylic arylation to the synthesis of a (+/-)-7-deoxypancratistatin analogue.","Organic letters","2006","8","19","4183","4186","10.1021/ol061070z","","","0.71073","MoKα","","0.0445","0.0332","","","0.0883","0.0963","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506072","5.424","0.002","7.937","0.003","11.566","0.005","90","","90.737","0.005","90","","497.9","0.3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C18 H30 N2 O6 -","2","1","","Moriarty, Robert M.; Mitan, Carmen I.; Branza-Nichita, Norica; Phares, Kenneth R.; Parrish, Damon","exo-Imino to endo-iminocyclitol rearrangement. A general route to five-membered antiviral azasugars.","Organic letters","2006","8","16","3465","3467","10.1021/ol061071r","","","0.71073","MoKα","","0.1003","0.0844","","","0.2137","0.231","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506073","10.921","0.007","11.884","0.006","23.835","0.015","90","","102.14","0.02","90","","3024","3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H42 O6 S -","- C32 H42 O6 S -","- C128 H168 O24 S4 -","4","2","","Hutchison, John M.; Lindsay, Harriet A.; Dormi, Silvana S.; Jones, Gavin D.; Vicic, David A.; McIntosh, Matthias C.","Approach to the synthesis of cladiell-11-ene-3,6,7-triol.","Organic letters","2006","8","17","3663","3665","10.1021/ol061072j","","","0.7107","MoKα","","0.1651","0.1436","","","0.3995","0.4212","","","","","","1.408","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506074","7.7457","0.0006","8.3807","0.0006","15.1631","0.0012","85.166","0.002","89.549","0.002","74.976","0.001","947.18","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C44 H40 N4 O8 S2 -","2","1","","Wang, Chao; Tunge, Jon A.","Decarboxylative ring contractions and olefin insertions of vinyl oxazinanones.","Organic letters","2006","8","15","3211","3214","10.1021/ol0610744","","","0.71073","MoKα","","0.0584","0.0459","","","0.1193","0.1257","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506075","12.7805","0.0007","14.9966","0.0009","13.5072","0.0008","90","","114.749","0.001","90","","2351.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N3 O2 S -","- C28 H25 N3 O2 S -","- C112 H100 N12 O8 S4 -","4","1","","Wang, Chao; Tunge, Jon A.","Decarboxylative ring contractions and olefin insertions of vinyl oxazinanones.","Organic letters","2006","8","15","3211","3214","10.1021/ol0610744","","","0.71073","MoKα","","0.0857","0.0491","","","0.0829","0.0907","","","","","","0.852","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506076","18.5086","0.0004","28.6914","0.0006","22.5474","0.0005","90","","110.452","0.001","90","","11218.8","0.4","120","1","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H72 N2 O17 -","- C58 H72 N2 O17 -","- C464 H576 N16 O136 -","8","2","","Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard","Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.","Organic letters","2006","8","12","2619","2622","10.1021/ol0610845","","","0.71073","MoKα","","0.1528","0.0795","","","0.1749","0.2292","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506077","6.3417","0.0001","20.5313","0.0003","9.4744","0.0002","90","","96.329","0.001","90","","1226.08","0.04","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard","Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.","Organic letters","2006","8","12","2619","2622","10.1021/ol0610845","","","0.71069","MoKα","","0.0683","0.0493","","","0.1584","0.1903","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506078","12.2013","0.0002","12.9722","0.0002","14.3899","0.0003","90.857","0.001","92.236","0.001","116.566","0.001","2034.24","0.06","100","1","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H35 Ag2 Cl3 F6 N2 O16 S2 -","- C29 H35 Ag2 Cl3 F6 N2 O16 S2 -","- C58 H70 Ag4 Cl6 F12 N4 O32 S4 -","2","1","","Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard","Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.","Organic letters","2006","8","12","2619","2622","10.1021/ol0610845","","","0.71073","MoKα","","0.0282","0.0258","","","0.0698","0.0726","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506079","8.8645","0.0002","24.7243","0.0008","11.4315","0.0003","90","","107.699","0.0017","90","","2386.84","0.12","150","2","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Cl2 N O2 -","- C28 H25 Cl2 N O2 -","- C112 H100 Cl8 N4 O8 -","4","1","","Brunner, Bernhard; Stogaitis, Nicole; Lautens, Mark","Synthesis of 1,2-dihydropyridines using vinyloxiranes as masked dienolates in imino-aldol reactions.","Organic letters","2006","8","16","3473","3476","10.1021/ol061086p","","","0.71073","MoKα","","0.0837","0.0485","","","0.1215","0.142","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506080","9.1635","0.0003","18.2658","0.0009","13.7298","0.0006","90","","100.675","0.002","90","","2258.3","0.17","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F N O2 -","- C28 H26 F N O2 -","- C112 H104 F4 N4 O8 -","4","1","","Brunner, Bernhard; Stogaitis, Nicole; Lautens, Mark","Synthesis of 1,2-dihydropyridines using vinyloxiranes as masked dienolates in imino-aldol reactions.","Organic letters","2006","8","16","3473","3476","10.1021/ol061086p","","","0.71073","MoKα","","0.0985","0.0517","","","0.1258","0.1523","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506081","17.5451","0.0012","16.2722","0.0011","7.3076","0.0005","90","","90","","90","","2086.3","0.2","120","2","120","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C72 H120 N8 O32 -","8","","","Persson, Tobias; Nielsen, John","Synthesis of N-methoxy-N-methyl-beta-enaminoketoesters: new synthetic precursors for the regioselective synthesis of heterocyclic compounds.","Organic letters","2006","8","15","3219","3222","10.1021/ol0611088","","","0.71073","MoKα","","0.0423","0.04","","","0.095","0.0964","","","","","","1.104","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506082","22.425","0.002","12.731","0.0011","13.8126","0.0013","90","","105.313","0.008","90","","3803.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 O2 S2 Si -","- C15 H28 O2 S2 Si -","- C120 H224 O16 S16 Si8 -","8","2","","Spivey, Alan C.; Martin, Laetitia J.; Grainger, Damian M.; Ortner, Jörg; White, Andrew J. P.","Cis and trans selective 1,4-addition of a lithium dithioester enolate to 4-O-TBS-2-cyclohexenone.","Organic letters","2006","8","18","3891","3894","10.1021/ol0611090","","","1.54248","CuKα","","0.0953","0.0587","","","0.1533","0.1777","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506083","10.921","0.003","6.2036","0.0017","11.144","0.003","90","","96.59","0.02","90","","750","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O3 -","- C8 H10 O3 -","- C32 H40 O12 -","4","1","","Spivey, Alan C.; Martin, Laetitia J.; Grainger, Damian M.; Ortner, Jörg; White, Andrew J. P.","Cis and trans selective 1,4-addition of a lithium dithioester enolate to 4-O-TBS-2-cyclohexenone.","Organic letters","2006","8","18","3891","3894","10.1021/ol0611090","","","1.54248","CuKα","","0.0982","0.0523","","","0.1365","0.1666","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506084","25.555","0.003","7.2399","0.0009","15.3012","0.0018","90","","122.954","0.002","90","","2375.5","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34 N2 O5 S -","- C25 H34 N2 O5 S -","- C100 H136 N8 O20 S4 -","4","1","","Garner, Philip; Kaniskan, H. Umit; Hu, Jieyu; Youngs, Wiley J.; Panzner, Matthew","Asymmetric multicomponent [C+NC+CC] synthesis of highly functionalized pyrrolidines catalyzed by silver(I).","Organic letters","2006","8","17","3647","3650","10.1021/ol061113b","","","0.71073","MoKα","","0.0514","0.0457","","","0.1105","0.1133","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506085","9.608","0.005","9.883","0.005","10.123","0.004","82.041","0.019","80.51","0.019","75.84","0.02","914.4","0.8","296","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Ma, Cheng; Ding, Hanfeng; Wang, Yanguang","Novel annulation reactions of aryl methyl ketenes with zwitterions derived from dimethyl acetylenedicarboxylate and N-alkylimidazoles.","Organic letters","2006","8","14","3133","3136","10.1021/ol061126p","","","0.71075","MoKα","","","0.0442","","","","0.1311","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506086","7.2133","0.0014","7.3959","0.0014","20.115","0.004","83.451","0.012","83.335","0.013","71.708","0.011","1008.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Fe N2 O6 -","- C19 H18 Fe N2 O6 -","- C38 H36 Fe2 N4 O12 -","2","1","","Williams, Iwan; Kariuki, Benson M.; Reeves, Keith; Cox, Liam R.","Stereoselective synthesis of 2-dienyl-substituted pyrrolidines using an eta4-dienetricarbonyliron complex as the stereodirecting element: Elaboration to the pyrrolizidine skeleton.","Organic letters","2006","8","20","4389","4392","10.1021/ol061132l","","","1.54178","CuKα","","0.2017","0.1244","","","0.25","0.2864","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506087","7.3427","0.0002","10.3573","0.0002","12.6116","0.0003","69.111","0.001","86.301","0.001","87.873","0.001","894.11","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Br Fe N O3 -","- C16 H20 Br Fe N O3 -","- C32 H40 Br2 Fe2 N2 O6 -","2","1","","Williams, Iwan; Kariuki, Benson M.; Reeves, Keith; Cox, Liam R.","Stereoselective synthesis of 2-dienyl-substituted pyrrolidines using an eta4-dienetricarbonyliron complex as the stereodirecting element: Elaboration to the pyrrolizidine skeleton.","Organic letters","2006","8","20","4389","4392","10.1021/ol061132l","","","1.54178","CuKα","","0.0716","0.0608","","","0.179","0.1929","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506088","8.735","0.0009","9.2712","0.001","8.869","0.0009","90","","91.718","0.002","90","","717.92","0.13","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Furan-2-yl-2H-[1,2,3]triazole-4-carbonitrile","","- C7 H4 N4 O -","- C7 H4 N4 O -","- C28 H16 N16 O4 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0534","0.049","","","0.1401","0.1444","","","","","","1.049","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1506089","8.7912","0.0013","9.3385","0.0014","9.2179","0.0014","90","","92.242","0.003","90","","756.2","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(Thiophen-2-yl)-2H-1,2,3-triazole-4-carbonitrile","","- C7 H4 N4 S -","- C7 H4 N4 S -","- C28 H16 N16 S4 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0564","0.0469","","","0.1149","0.1201","","","","","","1.071","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506090","7.3028","0.0007","15.7135","0.0015","15.8041","0.0015","90","","97.973","0.002","90","","1796","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Furan-2-yl-2H-[1,2,3]triazole-4-carboxylic acid methyl ester","","- C20 H20 N2 O3 -","- C16 H16 N6 O7 -","- C64 H64 N24 O28 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0631","0.0557","","","0.1441","0.1478","","","","","","1.137","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506091","16.4842","0.0006","16.4842","0.0006","40.118","0.003","90","","90","","120","","9440.7","0.9","223","2","223","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","5-Thiophen-2-yl-2H-[1,2,3]triazole-4-carboxylic acid methyl ester","","- C8 H7 N3 O2.5 S -","- C8 H7 N3 O2.5 S -","- C288 H252 N108 O90 S36 -","36","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0864","0.0551","","","0.1487","0.1612","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506092","7.2348","0.0004","11.4471","0.0008","17.678","0.0011","90","","92.633","0.002","90","","1462.5","0.16","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Cyclohexylmethyl-5-phenyl-2H-[1,2,3]triazole-4-carbonitrile","","- C16 H12 N4 -","- C16 H18 N4 -","- C64 H72 N16 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0977","0.0622","","","0.139","0.1572","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506093","13.755","0.004","15.225","0.005","6.878","0.002","90","","104.48","","90","","1394.6","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Benzyl-8-chloro-2H-5-oxa-1,2,3-triaza-cyclopenta[a]naphthalen-4-one","","- C16 H10 Cl N3 O2 -","- C16 H10 Cl N3 O2 -","- C64 H40 Cl4 N12 O8 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.1151","0.0702","","","0.1244","0.1399","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506094","8.3146","0.0011","5.634","0.0008","29.131","0.004","90","","93.396","0.003","90","","1362.2","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Benzyl-8-chloro-3H-5-oxa-1,2,3-triaza-cyclopenta[a]naphthalen-4-one","","- C16 H10 Cl N3 O2 -","- C16 H10 Cl N3 O2 -","- C64 H40 Cl4 N12 O8 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0471","0.0416","","","0.106","0.11","","","","","","1.031","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1506095","17.0442","0.0016","5.7349","0.0005","7.3883","0.0007","90","","95.037","0.002","90","","719.39","0.11","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-2H-[1,2,3]triazole","","- C8 H7 N3 -","- C8 H7 N3 -","- C32 H28 N12 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0482","0.0446","","","0.1112","0.1135","","","","","","1.132","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506096","13.352","0.0006","13.352","0.0006","12.1413","0.0007","90","","90","","120","","1874.51","0.16","193","","193","","","","","","","","","3","P 32","P 32","145","","7,7'-Dimethyl-1,3,1',3'-tetrahydro-[4,4']biisobenzofuranyl- 5,6,5',6'-tetracarboxylic acid tetramethyl ester","","- C26 H26 O10 -","- C26 H26 O10 -","- C78 H78 O30 -","3","1","","Nishida, Goushi; Suzuki, Nanami; Noguchi, Keiichi; Tanaka, Ken","Enantioselective Synthesis of Tetra-ortho-Substituted Axially Chiral Biaryls through Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition.","Organic letters","2006","8","16","3489","3492","10.1021/ol0611550","","","1.54187","CuKα","","0.0248","0.0247","","","0.067","0.0671","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506097","10.5522","0.0006","13.1153","0.0006","21.9409","0.0011","90","","90","","90","","3036.5","0.3","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,6'-Bis-acetoxymethyl-2,3,2',3'-tetrahydro-1H,1'H-[5,5']biindenyl- 4,7,4',7'-tetracarboxylic acid tetraethyl ester","","- C32 H34 O12 -","- C32 H34 O12 -","- C128 H136 O48 -","4","1","","Nishida, Goushi; Suzuki, Nanami; Noguchi, Keiichi; Tanaka, Ken","Enantioselective Synthesis of Tetra-ortho-Substituted Axially Chiral Biaryls through Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition.","Organic letters","2006","8","16","3489","3492","10.1021/ol0611550","","","1.54187","CuKα","","0.0525","0.0405","","","0.1061","0.1176","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506098","8.9947","0.0008","10.8105","0.0012","13.9124","0.0015","81.632","0.01","73.88","0.009","67.096","0.007","1196.1","0.2","143","1","143","1","","","","","","","","3","P 1","P 1","1","","","","- C44 H72 O16 -","- C44 H72 O16 -","- C44 H72 O16 -","1","1","","Smith, 3rd, Amos B; Simov, Vladimir","Total synthesis of the marine natural product (-)-clavosolide A. A showcase for the Petasis-Ferrier union/rearrangement tactic.","Organic letters","2006","8","15","3315","3318","10.1021/ol0611752","","","0.71069","MoKα","","0.0601","0.0385","","","0.0751","0.0858","","","","","","0.838","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506099","17.027","0.005","8.768","0.005","22.235","0.005","90","","99.014","0.005","90","","3279","2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N4 O7 S2 -","- C33 H36 N4 O7 S2 -","- C132 H144 N16 O28 S8 -","4","1","","Lomberget, Thierry; Baragona, Fabien; Fenet, Bernard; Barret, Roland","[3+2] versus [4+2] cycloadditions of quinone monoimide with azadienes: a Lewis acid-free access to 5-amino-2,3-dihydrobenzofuranes.","Organic letters","2006","8","18","3919","3922","10.1021/ol061184a","","x-ray","0.71069","MoKα","","0.0913","0.0504","","0.0886","0.0596","0.0596","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506100","12.4745","0.0003","8.5332","0.0002","16.1449","0.0005","90","","108.536","0.002","90","","1629.43","0.08","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Magnus, Philip; Turnbull, Rachel","Thermal and acid-catalyzed Hofmann-Martius rearrangement of 3-N-aryl-2-oxindoles into 3-(arylamino)-2-oxindoles.","Organic letters","2006","8","16","3497","3499","10.1021/ol061191z","","","0.71073","MoKα","","0.0663","0.0398","","","0.0934","0.108","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506101","6.2294","0.0005","17.619","0.0011","14.104","0.002","90","","90","","90","","1548","0.3","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H17 N2 -","- C21 H17 N2 -","- C84 H68 N8 -","4","1","","Magnus, Philip; Turnbull, Rachel","Thermal and acid-catalyzed Hofmann-Martius rearrangement of 3-N-aryl-2-oxindoles into 3-(arylamino)-2-oxindoles.","Organic letters","2006","8","16","3497","3499","10.1021/ol061191z","","","0.71073","MoKα","","0.1653","0.0677","","","0.112","0.1409","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506102","7.697","0.004","13.53","0.006","15.046","0.004","90","","104.33","0.02","90","","1518.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 B N O4 -","- C16 H16 B N O4 -","- C64 H64 B4 N4 O16 -","4","1","","Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood","1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes.","Organic letters","2006","8","13","2875","2878","10.1021/ol061201w","","","0.71073","MoKα","","0.0711","0.046","","","0.1304","0.1518","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506103","7.802","0.003","7.873","0.003","12.734","0.006","74.89","0.03","75.2","0.02","75.97","0.03","717","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 B N O -","- C18 H18 B N O -","- C36 H36 B2 N2 O2 -","2","1","","Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood","1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes.","Organic letters","2006","8","13","2875","2878","10.1021/ol061201w","","","0.71073","MoKα","","0.0552","0.0432","","","0.1103","0.1205","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506104","15.42","0.002","6.561","0.003","23.85","0.008","90","","90","","90","","2412.9","1.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 B N3 -","- C14 H12 B N3 -","- C112 H96 B8 N24 -","8","1","","Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood","1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes.","Organic letters","2006","8","13","2875","2878","10.1021/ol061201w","","","0.71073","MoKα","","0.0605","0.0438","","","0.1069","0.1187","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506105","11.907","0.004","5.6848","0.0016","12.95","0.004","90","","92.517","0.005","90","","875.7","0.5","108","2","108","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N -","- C12 H11 N -","- C48 H44 N4 -","4","1","","Feldman, Ken S.; Iyer, Malliga R.; Hester, II, D. Keith","Allenyl azide cycloaddition chemistry. Synthesis of annelated indoles from 2-(allenyl)phenyl azide substrates","Organic Letters","2006","8","14","3113","3116","10.1021/ol061216u","","","0.71073","MoKα","","0.0611","0.0517","","","0.132","0.139","","","","","","1.072","","","","has coordinates","218620","2020-10-21","18:00:00",""
"1506106","5.538","0.003","9.573","0.005","25.815","0.014","90","","87.27","0.012","90","","1367","1.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H17 N -","- C18 H17 N -","- C72 H68 N4 -","4","2","","Feldman, Ken S.; Iyer, Malliga R.; Hester, II, D. Keith","Allenyl azide cycloaddition chemistry. Synthesis of annelated indoles from 2-(allenyl)phenyl azide substrates","Organic Letters","2006","8","14","3113","3116","10.1021/ol061216u","","","0.71073","MoKα","","0.2243","0.0823","","","0.1743","0.2167","","","","","","0.829","","","","has coordinates","218620","2020-10-21","18:00:00",""
"1506107","9.6027","0.0014","10.0645","0.0016","11.093","0.0017","110.209","0.003","109.26","0.003","101.701","0.003","887","0.2","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C38 H48 N4 O4 -","2","2","","Evans, David A.; Song, Hyun-Ji; Fandrick, Keith R.","Enantioselective nitrone cycloadditions of alpha,beta-unsaturated 2-acyl imidazoles catalyzed by bis(oxazolinyl)pyridine-cerium(IV) triflate complexes.","Organic letters","2006","8","15","3351","3354","10.1021/ol061223i","","x-ray","0.71073","MoKα","","0.0576","0.0492","","","0.1158","0.122","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506108","12.5773","0.0013","13.0527","0.0014","14.9394","0.0016","103.581","0.002","103.794","0.002","113.814","0.002","2022.1","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 N2 O9 -","- C48 H42 N2 O9 -","- C96 H84 N4 O18 -","2","1","","Sim, Eun-Kyung; Jeong, Seung-Doo; Yoon, Dae-Wi; Hong, Seong-Jin; Kang, Youngjin; Lee, Chang-Hee","Porphyrins bearing stable meso-alkylidenyl double bonds. A new family of nonplanar porphyrinoids.","Organic letters","2006","8","15","3355","3358","10.1021/ol0612307","","","0.71073","MoKα","","0.1533","0.0574","","","0.118","0.1523","","","","","","0.941","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506109","12.1293","0.0007","13.3588","0.0008","13.7337","0.0008","68.826","0.001","83.025","0.001","75.297","0.001","2006","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H41 N3 O9 -","- C47 H41 N3 O9 -","- C94 H82 N6 O18 -","2","1","","Sim, Eun-Kyung; Jeong, Seung-Doo; Yoon, Dae-Wi; Hong, Seong-Jin; Kang, Youngjin; Lee, Chang-Hee","Porphyrins bearing stable meso-alkylidenyl double bonds. A new family of nonplanar porphyrinoids.","Organic letters","2006","8","15","3355","3358","10.1021/ol0612307","","","0.71073","MoKα","","0.1738","0.061","","","0.136","0.1795","","","","","","0.911","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506110","9.019","0.002","10.726","0.003","14.449","0.004","90","","105.111","0.004","90","","1349.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N5 O8 -","- C26 H30 N5 O8 -","- C52 H60 N10 O16 -","2","1","","Liu, Xiangyang; Kwan, Irene C. M.; Wang, Suning; Wu, Gang","G-quartet formation from an N2-modified guanosine derivative","Organic Letters","2006","8","17","3685","3688","10.1021/ol061236w","","","0.71073","MoKα","","0.0919","0.0551","","","0.1266","0.1405","","","","","","0.942","","","","has coordinates","218622","2020-10-21","18:00:00",""
"1506111","13.1985","0.0015","13.4944","0.0015","13.9409","0.0016","65.224","0.002","68.024","0.002","67.455","0.002","2013.5","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H25 N O -","- C13 H25 N O -","- C78 H150 N6 O6 -","6","3","","Halliday, Jill I.; Chebib, Mary; Turner, Peter; McLeod, Malcolm D.","Double-Mannich annulation of cyclic ketones using N,N-Bis(ethoxymethyl)alkylamine reagents.","Organic letters","2006","8","15","3399","3401","10.1021/ol061242s","","","0.71069","MoKα","","0.1147","0.0814","","","0.2031","0.2188","","","","","","1.381","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506112","11.0066","0.0001","14.624","0.0002","17.8129","0.0002","100.328","0.0007","103.636","0.0009","97.9031","0.0009","2692.32","0.06","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br2 N4 O4 -","- C26 H28 Br2 N4 O4 -","- C104 H112 Br8 N16 O16 -","4","2","","Yasui, Yoshizumi; Frantz, Derik K.; Siegel, Jay S.","Synthesis of 4,4'-bisaryl-2,2'-bisbenzimidazoles as building blocks for supramolecular structures.","Organic letters","2006","8","22","4989","4992","10.1021/ol061244c","","","0.71073","MoKα","","0.0689","0.0418","","","0.0945","0.1061","","","","","","1.018","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506113","9.881","0.003","8.283","0.003","20.714","0.007","90","","97.71","0.006","90","","1680","1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Huntley, Raymond J.; Funk, Raymond L.","Total syntheses of (+/-)-cis-trikentrin A and (+/-)-cis-trikentrin B via electrocyclic ring closures of 2,3-divinylpyrrolines.","Organic letters","2006","8","15","3403","3406","10.1021/ol061259a","","","0.71073","MoKα","","0.0593","0.0441","","","0.1055","0.1142","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506114","8.4416","0.0005","8.4416","0.0005","24.5449","0.0014","90","","90","","90","","1749.08","0.18","143","1","143","1","","","","","","","","4","P 43","P 4cw","78","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C80 H108 N4 O20 -","4","1","","Chen, Peiling; Chen, Yanping; Carroll, Patrick J.; Sieburth, Scott McN","Novel reaction pathways for 2-pyridone [4+4] photoadducts.","Organic letters","2006","8","15","3367","3370","10.1021/ol061266z","","","0.71069","MoKα","","0.0285","0.0263","","","0.059","0.0602","","","","","","1.017","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506115","7.346","0.0008","15.884","0.002","16.299","0.002","90","","90","","90","","1901.8","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Cl N O3 -","- C21 H28 Cl N O3 -","- C84 H112 Cl4 N4 O12 -","4","1","","Chen, Peiling; Chen, Yanping; Carroll, Patrick J.; Sieburth, Scott McN","Novel reaction pathways for 2-pyridone [4+4] photoadducts.","Organic letters","2006","8","15","3367","3370","10.1021/ol061266z","","","0.71069","MoKα","","0.0379","0.0306","","","0.0593","0.0618","","","","","","0.897","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506116","8.044","0.01","11.217","0.014","13.883","0.018","74.69","0.02","77.23","0.02","85.51","0.02","1178","3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Br Cl2 N5 O5 -","- C20 H21 Br Cl2 N5 O5 -","- C40 H42 Br2 Cl4 N10 O10 -","2","1","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.0908","0.074","","","0.1969","0.2061","","","","","","0.98","","","","has coordinates","218637","2020-10-21","18:00:00",""
"1506117","14.765","0.006","22.301","0.008","9.509","0.004","90","","97.598","0.008","90","","3104","2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C136 H152 N8 O48 -","8","2","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.1204","0.0601","","","0.1135","0.1257","","","","","","0.716","","","","has coordinates","218637","2020-10-21","18:00:00",""
"1506118","8.357","0.004","17.641","0.009","12.509","0.007","90","","102.708","0.009","90","","1799","1.6","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O5 S -","- C19 H21 N O5 S -","- C76 H84 N4 O20 S4 -","4","1","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.0935","0.0647","","","0.1339","0.148","","","","","","1.027","","","","has coordinates","218637","2020-10-21","18:00:00",""
"1506119","14.116","0.018","11.11","0.02","8.36","0.02","90","","94.55","0.12","90","","1307","4","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.0664","0.0501","","","0.1226","0.1321","","","","","","1.041","","","","has coordinates","218637","2020-10-21","18:00:00",""
"1506120","14.922","0.004","8.735","0.002","17.45","0.005","90","","94.143","0.004","90","","2268.6","1","297","2","297","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 -","- C35 H22 -","- C140 H88 -","4","1","","Xie, Ling-Hai; Hou, Xiao-Ya; Hua, Yu-Ran; Tang, Chao; Liu, Feng; Fan, Qu-Li; Huang, Wei","Facile synthesis of complicated 9,9-diarylfluorenes based on BF3.Et2O-mediated Friedel-Crafts reaction.","Organic letters","2006","8","17","3701","3704","10.1021/ol061268j","","","0.71073","MoKα","","0.0594","0.0402","","","0.1017","0.1152","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506121","9.244","0.0007","9.5634","0.001","13.502","0.002","90","","106.642","0.006","90","","1143.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Phenyl-N'-[(1R,3S)-3-[[[(phenylamino)oxomethyl]amino] methyl]-3,5,5-trimethylcyclohexyl]urea","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C48 H64 N8 O4 -","2","1","","Berkessel, Albrecht; Roland, Katrin; Neudörfl, Jörg M","Asymmetric Morita-Baylis-Hillman reaction catalyzed by isophoronediamine-derived bis(thio)urea organocatalysts.","Organic letters","2006","8","19","4195","4198","10.1021/ol061298m","","","0.71073","MoKα","","0.0803","0.0484","","","0.0965","0.1063","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506122","7.5688","0.0003","9.5287","0.0004","33.9726","0.0014","90","","90","","90","","2450.13","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Phenyl-N'-[(1R,3S)-3-[[[(phenylamino)thioxomethyl]amino] methyl]-3,5,5-trimethylcyclohexyl]thiourea","","- C24 H32 N4 S2 -","- C24 H32 N4 S2 -","- C96 H128 N16 S8 -","4","1","","Berkessel, Albrecht; Roland, Katrin; Neudörfl, Jörg M","Asymmetric Morita-Baylis-Hillman reaction catalyzed by isophoronediamine-derived bis(thio)urea organocatalysts.","Organic letters","2006","8","19","4195","4198","10.1021/ol061298m","","","0.71073","MoKα","","0.0825","0.0403","","","0.0709","0.0967","","","","","","0.973","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506123","31.189","0.005","16.501","0.003","14.102","0.002","90","","113.036","0.004","90","","6678.9","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 N3 O9 -","- C34 H46 N3 O9 -","- C272 H368 N24 O72 -","8","1","","Rege, Pankaj D.; Tian, Yuan; Corey, E. J.","Studies of new indole alkaloid coupling methods for the synthesis of haplophytine.","Organic letters","2006","8","14","3117","3120","10.1021/ol061319c","","","0.71073","MoKα","","0.1465","0.0514","","","0.085","0.0966","","","","","","0.851","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506124","20.041","0.008","9.284","0.004","21.351","0.008","90","","104.917","0.007","90","","3839","3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C27.5 H28 Cl4 I N3 O4 -","- C27.5 H28 Cl4 I N3 O4 -","- C110 H112 Cl16 I4 N12 O16 -","4","1","","Rege, Pankaj D.; Tian, Yuan; Corey, E. J.","Studies of new indole alkaloid coupling methods for the synthesis of haplophytine.","Organic letters","2006","8","14","3117","3120","10.1021/ol061319c","","","0.71073","MoKα","","0.1665","0.0746","","","0.2419","0.2622","","","","","","0.944","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506125","6.0242","0.0005","21.4235","0.0019","11.8956","0.0009","90","","93.449","0.005","90","","1532.5","0.2","150","","150","","","","","","","","P. Joensuu PJD784","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas","Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant.","Organic letters","2006","8","17","3729","3732","10.1021/ol061329d","","","0.71073","MoKα","","0.069","0.0442","","0.1018","0.095","0.1018","","","","","","0.8861","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506126","15.7502","0.0007","6.1392","0.0003","17.0116","0.0007","90","","99.577","0.003","90","","1621.99","0.13","150","","150","","","","","","","","Gordon Murray, GJM6/36/1","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas","Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant.","Organic letters","2006","8","17","3729","3732","10.1021/ol061329d","","","0.71073","MoKα","","0.0684","0.0446","","0.1086","0.1025","0.1086","","","","","","0.8598","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506127","11.8348","0.0005","6.7889","0.0003","21.2326","0.0011","90","","93.852","0.003","90","","1702.09","0.14","150","","150","","","","","","","","Euan Fordyce EAFF21002A","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C76 H100 N4 O20 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas","Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant.","Organic letters","2006","8","17","3729","3732","10.1021/ol061329d","","","0.71073","MoKα","","0.0729","0.0517","","0.1351","0.1265","0.1351","","","","","","0.895","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506128","17.04","0.002","11.32","0.001","25.137","0.002","90","","97.135","0.006","90","","4811.2","0.8","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 F2 N2 O4 -","- C62 H56 F2 N2 O4 -","- C248 H224 F8 N8 O16 -","4","1","","Würthner, Frank; Osswald, Peter; Schmidt, Rüdiger; Kaiser, Theo E.; Mansikkamäki, Heidi; Könemann, Martin","Synthesis and optical and electrochemical properties of core-fluorinated perylene bisimides.","Organic letters","2006","8","17","3765","3768","10.1021/ol0613416","","x-ray","1.54178","CuKα","","0.0735","0.0519","","","0.1192","0.1321","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506129","7.8097","0.0004","12.1717","0.0007","18.252","0.001","75.605","0.001","80.791","0.001","80.205","0.001","1643.37","0.16","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 F4 N2 O4 -","- C39.999 H38 F4 N2 O4 -","- C79.998 H76 F8 N4 O8 -","2","1","","Würthner, Frank; Osswald, Peter; Schmidt, Rüdiger; Kaiser, Theo E.; Mansikkamäki, Heidi; Könemann, Martin","Synthesis and optical and electrochemical properties of core-fluorinated perylene bisimides.","Organic letters","2006","8","17","3765","3768","10.1021/ol0613416","","","0.71073","MoKα","","0.1145","0.1025","","","0.1826","0.188","","","","","","1.375","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506130","15.134","0.01","25.283","0.016","11.758","0.007","90","","90","","90","","4499","5","293","2","293","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C192 H248 N8 O24 -","8","1","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.1042","0.0636","","","0.1211","0.1382","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506131","21.57","0.005","8.3502","0.0019","23.271","0.005","90","","90","","90","","4191.4","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C192 H248 N8 O24 -","8","1","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.06","0.0393","","","0.0791","0.0881","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506132","12.903","0.004","15.659","0.005","17.267","0.006","98.252","0.006","103.842","0.006","108.822","0.005","3112.5","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O -","- C19 H21 N O -","- C152 H168 N8 O8 -","8","4","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.058","0.0454","","","0.1133","0.1208","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506133","14.231","0.003","11.851","0.002","27.763","0.006","90","","90.34","0.03","90","","4682.2","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H58 B2 S2 -","- C51 H58 B2 S2 -","- C204 H232 B8 S8 -","4","0.5","","Zhou, Zhiguo; Xiao, Shuzhang; Xu, Jia; Liu, Zhiqiang; Shi, Mei; Li, Fuyou; Yi, Tao; Huang, Chunhui","Modulation of the photochromic property in an organoboron-based diarylethene by a fluoride ion.","Organic letters","2006","8","18","3911","3914","10.1021/ol061370g","","","0.71073","MoKα","","0.0665","0.0459","","","0.133","0.1468","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506134","7.577","0.008","8.208","0.011","13.461","0.015","90","","97.796","0.01","90","","829.4","1.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 O4 Si -","- C14 H26 O4 Si -","- C28 H52 O8 Si2 -","2","1","","Ghosh, Subrata; Sinha, Saikat; Drew, Michael G. B.","Stereodivergent approach to the asymmetric synthesis of bacillariolides: a formal synthesis of ent-bacillariolide II.","Organic letters","2006","8","17","3781","3784","10.1021/ol061377y","","","0.71073","MoKα","","0.0723","0.0553","","","0.1129","0.12","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506135","9.1848","0.0009","10.3498","0.0003","18.4659","0.0005","90","","90","","90","","1755.38","0.19","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N O3 -","- C18 H24 N O3 -","- C72 H96 N4 O12 -","4","1","","Matsumura, Yoshihiro; Ogura, Kanako; Kouchi, Yoshimi; Iwasaki, Fumiaki; Onomura, Osamu","New efficient organic activators for highly enantioselective reduction of aromatic ketones by trichlorosilane.","Organic letters","2006","8","17","3789","3792","10.1021/ol0613822","","","0.7107","MoKα","","","0.0416","","","","0.0901","","","","","","1.306","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506136","6.365","0.003","14.361","0.004","19.468","0.007","90","","90","","90","","1779.5","1.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Boukouvalas, John; Pouliot, Martin; Robichaud, Joël; MacNeil, Stephen; Snieckus, Victor","Asymmetric total synthesis of (-)-panacene and correction of its relative configuration.","Organic letters","2006","8","16","3597","3599","10.1021/ol061385e","","","1.54178","CuKα","","0.0867","0.0423","","","0.0923","0.106","","","","","","0.759","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506137","30.159","0.005","8.8874","0.0014","20.568","0.003","90","","124.276","0.003","90","","4555.5","1.2","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H23 N3 O5 -","- C25 H23 N3 O5 -","- C200 H184 N24 O40 -","8","2","","Reddy, B. V. Subba; Reddy, Leleti Rajender; Corey, E. J.","Novel acetoxylation and C-C coupling reactions at unactivated positions in alpha-amino acid derivatives.","Organic letters","2006","8","15","3391","3394","10.1021/ol061389j","","","0.71073","MoKα","","0.109","0.0528","","","0.0578","0.0697","","","","","","0.824","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506138","11.1824","0.0018","11.3032","0.0018","12.902","0.002","105.247","0.004","107.724","0.004","93.027","0.004","1482.9","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H33 N3 O4 -","- C36 H33 N3 O4 -","- C72 H66 N6 O8 -","2","1","","Reddy, B. V. Subba; Reddy, Leleti Rajender; Corey, E. J.","Novel acetoxylation and C-C coupling reactions at unactivated positions in alpha-amino acid derivatives.","Organic letters","2006","8","15","3391","3394","10.1021/ol061389j","","","0.71073","MoKα","","0.1157","0.0666","","","0.1327","0.1578","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506139","12.0635","0.0006","9.7402","0.0006","25.188","0.002","90","","98.39","0.003","90","","2927.9","0.3","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","2","","Magnus, Philip; Padilla, Angela I.","Proposed biogenetic origin of secu'amamine A from allosecurinine: a model study to support the intermediacy of the putative aziridinium ion.","Organic letters","2006","8","16","3569","3571","10.1021/ol061391a","","","0.71073","MoKα","","0.1934","0.1119","","","0.1899","0.2003","","","","","","2.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506140","21.944","0.0004","9.183","0.0002","15.902","0.0004","90","","99.197","0.0007","90","","3163.25","0.12","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 N2 O5.5 -","- C15 H20.5 N2 O5.5 -","- C120 H164 N16 O44 -","8","1","","Magnus, Philip; Padilla, Angela I.","Proposed biogenetic origin of secu'amamine A from allosecurinine: a model study to support the intermediacy of the putative aziridinium ion.","Organic letters","2006","8","16","3569","3571","10.1021/ol061391a","","","0.7107","MoKα","","0.1616","0.0964","","","0.2159","0.2271","","","","","","2.878","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506141","12.6761","0.0011","9.1007","0.0008","7.4679","0.0007","90","","93.289","0.002","90","","860.09","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl N3 O -","- C8 H6 Cl N3 O -","- C32 H24 Cl4 N12 O4 -","4","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.0769","0.0517","","","0.1349","0.1489","","","","","","0.983","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506142","9.2953","0.0003","10.7596","0.0003","10.7786","0.0002","93.674","0.001","110.314","0.001","111.876","0.001","914.7","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Br N3 O -","- C8 H6 Br N3 O -","- C32 H24 Br4 N12 O4 -","4","2","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.0765","0.0372","","","0.0853","0.0978","","","","","","0.924","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506143","10.5307","0.0009","7.9709","0.0007","29.396","0.003","90","","90","","90","","2467.5","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.1045","0.0517","","","0.1428","0.1667","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506144","5.9414","0.0005","14.8154","0.0013","26.69","0.002","90","","90","","90","","2349.4","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.0967","0.045","","","0.0825","0.0972","","","","","","0.94","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506145","16.754","0.003","6.7136","0.0014","25.22","0.005","90","","96.207","0.003","90","","2820.1","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 O3 P2 -","- C36 H26 O3 P2 -","- C144 H104 O12 P8 -","4","1","","Vecchi, Paul A.; Padmaperuma, Asanga B.; Qiao, Hong; Sapochak, Linda S.; Burrows, Paul E.","A dibenzofuran-based host material for blue electrophosphorescence.","Organic letters","2006","8","19","4211","4214","10.1021/ol0614121","","","0.71073","MoKα","","0.0574","0.0432","","","0.1145","0.1242","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506146","20.8896","0.0007","8.0132","0.0004","11.049","0.0004","90","","111.737","0.003","90","","1718.01","0.13","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C72 H112 O16 -","4","1","","Crawford, Claire; Nelson, Adam; Patel, Ian","Development of an approach to the synthesis of the ABC ring system of Hemibrevetoxin B.","Organic letters","2006","8","19","4231","4234","10.1021/ol0614323","","x-ray","0.71073","MoKα","","0.053","0.0483","","","0.1182","0.1234","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506147","15.6987","0.0002","7.7054","0.0001","29.3165","0.0003","90","","90","","90","","3546.26","0.07","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H30 O4 -","- C18 H30 O4 -","- C144 H240 O32 -","8","2","","Crawford, Claire; Nelson, Adam; Patel, Ian","Development of an approach to the synthesis of the ABC ring system of Hemibrevetoxin B.","Organic letters","2006","8","19","4231","4234","10.1021/ol0614323","","","0.71073","MoKα","","0.1069","0.0958","","","0.2327","0.2434","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506148","11.0388","0.0014","12.2504","0.0015","15.617","0.002","90","","99.91","0.002","90","","2080.4","0.5","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O4 -","- C24 H27 N3 O4 -","- C96 H108 N12 O16 -","4","1","","Crawley, Seth L.; Funk, Raymond L.","Generation of aza-ortho-xylylenes via ring opening of 2-(2-acylaminophenyl)aziridines: application in the construction of the communesin ring system.","Organic letters","2006","8","18","3995","3998","10.1021/ol061461d","","","0.71073","MoKα","","0.0509","0.0446","","","0.1169","0.1213","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506149","15.568","0.003","8.5131","0.0016","15.752","0.003","90","","116.33","0.004","90","","1871.1","0.6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","1","","Crawley, Seth L.; Funk, Raymond L.","Generation of aza-ortho-xylylenes via ring opening of 2-(2-acylaminophenyl)aziridines: application in the construction of the communesin ring system.","Organic letters","2006","8","18","3995","3998","10.1021/ol061461d","","","0.71073","MoKα","","0.0868","0.054","","","0.1264","0.1402","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506150","9.323","0.004","9.372","0.004","23.298","0.009","90","","92.139","0.007","90","","2034.2","1.5","108","2","108","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N2 O7 -","- C20 H28 N2 O7 -","- C80 H112 N8 O28 -","4","1","","Nilson, Mark G.; Funk, Raymond L.","Generation of N-acyliminium ions via intramolecular conjugate addition reactions: a strategy for the total synthesis of nakadomarin A.","Organic letters","2006","8","17","3833","3836","10.1021/ol061463y","","","0.71073","MoKα","","0.0952","0.0611","","","0.1339","0.1487","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506151","18.465","0.006","9.25","0.003","12.676","0.004","90","","110.308","0.006","90","","2030.5","1.1","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","1","","Nilson, Mark G.; Funk, Raymond L.","Generation of N-acyliminium ions via intramolecular conjugate addition reactions: a strategy for the total synthesis of nakadomarin A.","Organic letters","2006","8","17","3833","3836","10.1021/ol061463y","","","0.71073","MoKα","","0.0466","0.0414","","","0.0966","0.0994","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506152","10.5361","0.001","11.1344","0.001","13.6933","0.0012","90","","108.702","0.001","90","","1521.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Turrapubesin A","","","- C31 H39 Cl O9 -","- C31 H39 Cl O9 -","- C62 H78 Cl2 O18 -","2","1","","Wang, Xiao-Ning; Yin, Sheng; Fan, Cheng-Qi; Wang, Fang-Dao; Lin, Li-Ping; Ding, Jian; Yue, Jian-Min","Turrapubesins A and B, first examples of halogenated and maleimide-bearing limonoids in nature from Turraea pubescens.","Organic letters","2006","8","17","3845","3848","10.1021/ol061466a","","","0.71073","MoKα","","0.0703","0.0585","","","0.1598","0.168","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506153","10.7956","0.0003","20.8712","0.0005","22.6826","0.0006","91.146","0.001","114.327","0.001","89.589","0.001","4656.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H86 N8 O Zn -","- C110 H86 N8 O Zn -","- C220 H172 N16 O2 Zn2 -","2","1","","Yen, Wei-Nan; Lo, Shang-Shih; Kuo, Ming-Cheng; Mai, Chi-Lun; Lee, Gene-Hsiang; Peng, Shie-Ming; Yeh, Chen-Yu","Synthesis, structure, and optical and electrochemical properties of star-shaped porphyrin-triarylamine conjugates.","Organic letters","2006","8","19","4239","4242","10.1021/ol061478w","","","0.71073","MoKα","","0.1224","0.0782","","","0.2235","0.2548","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506154","6.0952","0.0003","16.8339","0.0008","11.9653","0.0006","90","","96.885","0.002","90","","1218.86","0.1","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 N O2 Si -","- C27 H29 N O2 Si -","- C54 H58 N2 O4 Si2 -","2","1","","Cho, Chang-Woo; Krische, Michael J.","Alpha-hydroxy esters via enantioselective hydrogen-mediated C-C coupling: regiocontrolled reactions of silyl-substituted 1,3-diynes.","Organic letters","2006","8","17","3873","3876","10.1021/ol061485k","","","0.71073","MoKα","","0.0572","0.0389","","","0.0784","0.0859","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506155","6.3696","0.0002","7.2069","0.0002","29.1029","0.001","90","","90","","90","","1335.97","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2R,3aR,5aR,7aS,10aS,10bS,10cR)-2-methoxy-2,3,3a,7a,8, 10a,10b,10c-octahydro-5aH-1,9-dioxa- dicyclopenta[a,h]naphthalen-10-one","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Felzmann, Wolfgang; Arion, Vladimir B.; Mieusset, Jean-Luc; Mulzer, Johann","A tether controlled exo-selective trans-annular Diels-Alder (TADA) reaction.","Organic letters","2006","8","17","3849","3851","10.1021/ol061510m","","","0.71073","MoKα","","0.0481","0.0388","","","0.0948","0.1003","","","","","","1.093","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506156","13.4544","0.0013","6.9898","0.0007","13.6325","0.0013","90","","95.487","0.002","90","","1276.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Ye, Long-Wu; Sun, Xiu-Li; Zhu, Chun-Yin; Tang, Yong","Unexpected tandem ylide annulation reaction for controllable synthesis of 2H-chromenes and 4H-chromenes.","Organic letters","2006","8","17","3853","3856","10.1021/ol0615174","","","0.71073","MoKα","","0.067","0.0542","","","0.1479","0.158","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506157","7.103","0.001","13.709","0.001","14.869","0.001","90","","90","","90","","1447.9","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O5 -","- C17 H14 N2 O5 -","- C68 H56 N8 O20 -","4","1","","Das, Suven; Fröhlich, Roland; Pramanik, Animesh","Synthesis and fluorescent properties of a new class of heterocycles of isoindole fused imidazoles with phenolic subunits.","Organic letters","2006","8","19","4263","4266","10.1021/ol061520n","","","1.54178","CuKα","","0.0271","0.027","","","0.0724","0.0725","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506158","12.246","0.0003","23.6665","0.0006","11.8579","0.0003","90","","113.398","0.001","90","","3154.05","0.14","373","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N2 O7 -","- C37 H32 N2 O7 -","- C148 H128 N8 O28 -","4","1","","Johns, Deidre M.; Mori, Makoto; Williams, Robert M.","Synthetic studies on quinine: quinuclidine construction via a ketone enolate regio- and diastereoselective Pd-mediated allylic alkylation.","Organic letters","2006","8","18","4051","4054","10.1021/ol061524s","","","0.71073","MoKα","","0.0858","0.0504","","","0.1184","0.1365","","","","","","1.007","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1506159","8.777","0.001","13.634","0.002","12.888","0.002","90","","109.04","0.01","90","","1457.9","0.4","287","2","287","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Li, Guo-You; Li, Bo-Gang; Yang, Tao; Liu, Guang-Ye; Zhang, Guo-Lin","Chaetoindicins A-C, three isoquinoline alkaloids from the fungus Chaetomium indicum.","Organic letters","2006","8","16","3613","3615","10.1021/ol061525k","","","0.71073","MoKα","","0.0727","0.0417","","","0.0936","0.1008","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506160","5.6494","0.0001","20.1371","0.0002","13.3458","0.0002","90","","93.685","0.001","90","","1515.11","0.04","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","","Majumdar, K. C.; Alam, S.","Regioselective unusual formation of spirocyclic 4-{2'-benzo(2',3'-dihydro)furo}- 9-methyl-2,3,9-trihydrothiopyrano[2,3-b]indole by 4-exo-trig aryl radical cyclization and rearrangement.","Organic letters","2006","8","18","4059","4062","10.1021/ol061531g","","","0.71073","MoKα","","0.0476","0.0381","","","0.0984","0.1048","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506161","26.437","0.003","9.373","0.0011","19.0763","0.0016","90","","105.419","0.007","90","","4556.9","0.9","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 O8 -","- C50 H46 O8 -","- C200 H184 O32 -","4","0.5","","Masci, Bernardo; Levi Mortera, Stefano; Persiani, Daniela; Thuéry, Pierre","CsF-promoted acetyl dance at the narrow rim of p-tert-butyl[3.1.3.1]homooxacalixarene.","Organic letters","2006","8","20","4405","4408","10.1021/ol061544u","","","0.71073","MoKα","","0.155","0.1311","","","0.3004","0.3126","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506162","11.2074","0.0005","13.3796","0.001","16.7503","0.0011","81.543","0.004","77.386","0.004","89.998","0.004","2423.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H70 O9 -","- C53 H70 O9 -","- C106 H140 O18 -","2","1","","Masci, Bernardo; Levi Mortera, Stefano; Persiani, Daniela; Thuéry, Pierre","CsF-promoted acetyl dance at the narrow rim of p-tert-butyl[3.1.3.1]homooxacalixarene.","Organic letters","2006","8","20","4405","4408","10.1021/ol061544u","","","0.71073","MoKα","","0.0577","0.0428","","","0.1085","0.1172","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506163","9.214","0.005","10.191","0.005","9.606","0.007","90","","111.68","0.03","90","","838.2","0.9","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C42 H40 O4 -","2","1","","Kamikawa, Ken; Shimizu, Yasunori; Takemoto, Shin; Matsuzaka, Hiroyuki","Nickel-catalyzed [3+1+1] cycloaddition reactions of alkenyl Fischer carbene complexes with methylenecyclopropanes.","Organic letters","2006","8","18","4011","4014","10.1021/ol061559s","","","0.71075","MoKα","","0.101","0.0542","","","0.1197","0.1403","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506164","14.894","0.007","25.242","0.013","19.3","0.008","90","","110.11","0.04","90","","6814","6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H50 Cl6 N4 O4 S2 -","- C56 H50 Cl6 N4 O4 S2 -","- C224 H200 Cl24 N16 O16 S8 -","4","1","","Kamikawa, Ken; Shimizu, Yasunori; Takemoto, Shin; Matsuzaka, Hiroyuki","Nickel-catalyzed [3+1+1] cycloaddition reactions of alkenyl Fischer carbene complexes with methylenecyclopropanes.","Organic letters","2006","8","18","4011","4014","10.1021/ol061559s","","","0.71075","MoKα","","0.3993","0.2166","","","0.466","0.5352","","","","","","1.293","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506165","6.126","0.002","7.3524","0.0013","29.508","0.005","90","","90","","90","","1329.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H20 B Na O9 -","- C7 H20 B Na O9 -","- C28 H80 B4 Na4 O36 -","4","1","","Cammidge, Andrew N.; Goddard, Victoria H. M.; Gopee, Hemant; Harrison, Nicola L.; Hughes, David L.; Schubert, Christopher J.; Sutton, Benjamin M.; Watts, Gary L.; Whitehead, Andrew J.","Aryl trihydroxyborates: easily isolated discrete species convenient for direct application in coupling reactions.","Organic letters","2006","8","18","4071","4074","10.1021/ol061564w","","","0.71069","Mo-Kα","","0.042","0.0351","","","0.0802","0.0846","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506166","11.0011","0.0013","12.2123","0.0015","11.1592","0.0013","90","","97.2768","0.0018","90","","1487.1","0.3","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C68 H72 O24 -","4","1","","Song, Dong; McDonald, Robert; West, F. G.","Diastereoselective [4 + 4]-photocycloaddition reactions of pyran-2-ones: rapid access to functionalized 5-8-5 skeletons.","Organic letters","2006","8","18","4075","4078","10.1021/ol061576h","","","0.71073","MoKα","","0.0419","0.0352","","","0.089","0.0945","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506167","6.0006","0.0008","8.0097","0.0011","14.4792","0.0019","90","","90.68","0.002","90","","695.86","0.16","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C34 H40 O12 -","2","1","","Song, Dong; McDonald, Robert; West, F. G.","Diastereoselective [4 + 4]-photocycloaddition reactions of pyran-2-ones: rapid access to functionalized 5-8-5 skeletons.","Organic letters","2006","8","18","4075","4078","10.1021/ol061576h","","","0.71073","MoKα","","0.0444","0.0363","","","0.0748","0.0837","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506168","6.072","0.004","15.035","0.004","22.423","0.006","90","0.02","90","0.04","90","0.04","2047.1","1.6","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O6 -","- C23 H26 O6 -","- C92 H104 O24 -","4","1","","Xu, Gang; Hou, Ai-Jun; Wang, Rui-Rui; Liang, Guang-Yu; Zheng, Yong-Tang; Liu, Ze-Yuan; Li, Xiao-Li; Zhao, Yu; Huang, Sheng-Xiong; Peng, Li-Yan; Zhao, Qin-Shi","Przewalskin A: A new C23 terpenoid with a 6/6/7 carbon ring skeleton from Salvia przewalskii maxim.","Organic letters","2006","8","20","4453","4456","10.1021/ol061609t","","","0.71073","MoKα","","0.1322","0.0508","","","0.1281","0.1625","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506169","10.389","0.002","11.02","0.002","14.128","0.002","88.08","0.01","73.29","0.01","69.02","0.01","1442.1","0.5","213.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 N2 O8 S2 -","- C26 H40 N2 O8 S2 -","- C52 H80 N4 O16 S4 -","2","1","","Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu","Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information.","Organic letters","2006","8","19","4295","4298","10.1021/ol0616440","","","1.5419","CuKα","","","0.087","","","","0.2231","","","","","","2.141","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506170","5.6042","0.0009","10.207","0.001","14.106","0.002","74.48","0.01","78.5","0.01","75.38","0.01","744.74","0.18","213.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N O2.5 S1.5 -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu","Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information.","Organic letters","2006","8","19","4295","4298","10.1021/ol0616440","","","1.5419","CuKα","","","0.1318","","","","0.325","","","","","","2.733","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506171","5.554","0.001","10.241","0.002","13.571","0.003","76.31","0.02","78.81","0.02","75.28","0.02","717.9","0.3","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 N O3 S -","- C14 H18 N O3 S -","- C28 H36 N2 O6 S2 -","2","1","","Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu","Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information.","Organic letters","2006","8","19","4295","4298","10.1021/ol0616440","","","1.5419","CuKα","","","0.1371","","","","0.3264","","","","","","3.259","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506172","8.536","0.0002","9.6894","0.0003","10.5913","0.0003","79.31","0.002","68.379","0.002","79.786","0.002","794.51","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N2 O5 S2 -","- C13 H20 N2 O5 S2 -","- C26 H40 N4 O10 S4 -","2","1","","Toumieux, Sylvestre; Compain, Philippe; Martin, Olivier R.; Selkti, Mohamed","New aspects of catalytic intramolecular C-H amination: unexpected formation of a seven-membered ring in nitrogen-containing systems.","Organic letters","2006","8","20","4493","4496","10.1021/ol061649x","","","0.71073","MoKα","","0.0502","0.0381","","","0.0952","0.1041","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506173","11.7943","0.0006","7.8523","0.0002","20.6581","0.001","90","","95.796","0.002","90","","1903.42","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N2 O5 S2 -","- C16 H24 N2 O5 S2 -","- C64 H96 N8 O20 S8 -","4","1","","Toumieux, Sylvestre; Compain, Philippe; Martin, Olivier R.; Selkti, Mohamed","New aspects of catalytic intramolecular C-H amination: unexpected formation of a seven-membered ring in nitrogen-containing systems.","Organic letters","2006","8","20","4493","4496","10.1021/ol061649x","","","0.71073","MoKα","","0.0852","0.0464","","","0.1093","0.1282","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506174","15.5689","0.0003","11.3899","0.0002","17.4891","0.0004","90","","96.7179","0.0011","90","","3080.02","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O5 S2 -","- C13 H18 N2 O5 S2 -","- C104 H144 N16 O40 S16 -","8","2","","Toumieux, Sylvestre; Compain, Philippe; Martin, Olivier R.; Selkti, Mohamed","New aspects of catalytic intramolecular C-H amination: unexpected formation of a seven-membered ring in nitrogen-containing systems.","Organic letters","2006","8","20","4493","4496","10.1021/ol061649x","","","0.71073","MoKα","","0.0629","0.0461","","","0.132","0.1474","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506175","9.8222","0.001","15.7753","0.0016","17.0784","0.0017","90","","100.61","0.002","90","","2601","0.5","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 O3 Si -","- C25 H42 O3 Si -","- C100 H168 O12 Si4 -","4","1","","Clark, Timothy B.; Woerpel, K. A.","Formation and reactivity of silacyclopropenes derived from siloxyalkynes: stereoselective formation of 1,2,4-triols.","Organic letters","2006","8","18","4109","4112","10.1021/ol061652g","","","0.71073","MoKα","","0.0468","0.0354","","","0.0878","0.0973","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506176","11.4318","0.0011","11.9829","0.0011","16.2499","0.0016","70.808","0.002","87.714","0.002","80.765","0.002","2074.8","0.3","253","2","253","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","2","","Clark, Timothy B.; Woerpel, K. A.","Formation and reactivity of silacyclopropenes derived from siloxyalkynes: stereoselective formation of 1,2,4-triols.","Organic letters","2006","8","18","4109","4112","10.1021/ol061652g","","","0.71073","MoKα","","0.1697","0.1305","","","0.3737","0.3986","","","","","","2.664","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506177","6.068","0.0006","10.6903","0.001","14.2193","0.0014","90","","92.64","0.002","90","","921.41","0.15","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Leyhane, Andrew J.; Snapper, Marc L.","Functionalized oxepines via fragmentation of highly strained epoxides.","Organic letters","2006","8","23","5183","5186","10.1021/ol061682j","","","0.71073","MoKα","","0.0578","0.0472","","","0.1265","0.1318","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506178","10.7652","0.0015","5.778","0.0009","25.226","0.004","90","","96.903","0.004","90","","1557.7","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N2 O8 -","- C16 H14 N2 O8 -","- C64 H56 N8 O32 -","4","1","","Leyhane, Andrew J.; Snapper, Marc L.","Functionalized oxepines via fragmentation of highly strained epoxides.","Organic letters","2006","8","23","5183","5186","10.1021/ol061682j","","","0.71073","MoKα","","0.1077","0.0956","","","0.2628","0.2731","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506179","9.458","0.002","11.332","0.002","13.604","0.002","76.51","0.01","86.68","0.02","82.32","0.02","1404.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 I N P Pd -","- C31 H31 I N P Pd -","- C62 H62 I2 N2 P2 Pd2 -","2","1","","Beccalli, Egle M.; Broggini, Gianluigi; Martinelli, Michela; Masciocchi, Norberto; Sottocornola, Silvia","New 4-spiroannulated tetrahydroisoquinolines by a one-pot sequential procedure. isolation and characterization of sigma-alkylpalladium heck intermediates.","Organic letters","2006","8","20","4521","4524","10.1021/ol061693c","","","0.71073","MoKα","","0.0245","0.021","","","0.0497","0.0514","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506180","7.2601","0.0008","17.0441","0.0019","11.6153","0.0013","90","","105.116","0.002","90","","1387.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","06167a","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","","Sessions, E. Hampton; Jacobi, Peter A.","Studies on the synthesis of furanosteroids. I. Viridin models.","Organic letters","2006","8","18","4125","4128","10.1021/ol061697h","","","0.71073","MoKα","","0.0689","0.053","","","0.1051","0.1103","","","","","","1.143","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506181","53.619","0.008","12.3613","0.0018","18.615","0.003","90","","108.317","0.002","90","","11713","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C93.95 H22.6 N2 O4 S2.7 -","- C93.95 H22.6 N2 O4 S2.7 -","- C751.6 H180.8 N16 O32 S21.6 -","8","1","","Chuang, Shih-Ching; Clemente, Fernando R.; Khan, Saeed I.; Houk, K. N.; Rubin, Yves","Approaches to open fullerenes: a 1,2,3,4,5,6-hexaadduct of C60.","Organic letters","2006","8","20","4525","4528","10.1021/ol061707e","","","0.71073","MoKα","","0.178","0.123","","","0.3062","0.335","","","","","","1.087","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506182","6.1879","0.0006","6.6386","0.0006","30.879","0.003","90","","90","","90","","1268.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N5 O5 -","- C11 H15 N5 O5 -","- C44 H60 N20 O20 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.","Organic letters","2006","8","20","4565","4568","10.1021/ol061715v","","","1.54178","CuKα","","0.032","0.0312","","","0.0806","0.0812","","","","","","1.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506183","10.9634","0.0005","6.2492","0.0003","24.277","0.0017","90","","97.714","0.003","90","","1648.23","0.16","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H33 N5 O8 -","- C35 H33 N5 O8 -","- C70 H66 N10 O16 -","2","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.","Organic letters","2006","8","20","4565","4568","10.1021/ol061715v","","","1.54178","CuKα","","0.0418","0.0357","","","0.0949","0.0996","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506184","6.9156","0.0004","9.5678","0.0006","14.8356","0.0009","90","","97.897","0.002","90","","972.32","0.1","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N5 O2 -","- C8 H9 N5 O2 -","- C32 H36 N20 O8 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.","Organic letters","2006","8","20","4565","4568","10.1021/ol061715v","","","1.54178","CuKα","","0.0371","0.0365","","","0.1011","0.1019","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506185","6.986","0.007","11.755","0.011","25.4","0.02","90","","90","","90","","2086","3","142","2","142","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C96 H108 N4 O24 -","4","1","","Feldman, Ken S.; Karatjas, Andrew G.","Extending Pummerer reaction chemistry. Asymmetric synthesis of spirocyclic oxindoles via chiral indole-2-sulfoxides.","Organic letters","2006","8","18","4137","4140","10.1021/ol0617244","","","0.71073","MoKα","","0.125","0.0981","","","0.2659","0.2782","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506186","12.794","0.003","12.794","0.003","24.424","0.007","90","","90","","120","","3462.3","1.5","123","2","123","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C26 H29 N O5 -","- C26 H29 N O5 -","- C156 H174 N6 O30 -","6","1","","Feldman, Ken S.; Karatjas, Andrew G.","Extending Pummerer reaction chemistry. Asymmetric synthesis of spirocyclic oxindoles via chiral indole-2-sulfoxides.","Organic letters","2006","8","18","4137","4140","10.1021/ol0617244","","","0.71073","MoKα","","0.059","0.0562","","","0.1574","0.1626","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506187","26.12","0.005","9.092","0.0018","11.853","0.002","90","","90","","90","","2814.9","0.9","183","2","183","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C32 H40 O6 -","- C32 H40 O6 -","- C128 H160 O24 -","4","0.5","","Bérubé, Amélie; Drutu, Ioana; Wood, John L.","Progress toward the total synthesis of bacchopetiolone: application of a tandem aromatic oxidation/Diels-Alder reaction.","Organic letters","2006","8","24","5421","5424","10.1021/ol061737h","","","0.71073","MoKα","","0.1169","0.0764","","","0.2128","0.2252","","","","","","1.534","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506188","33.2904","0.0006","4.6499","0.0001","21.8825","0.0003","90","","129.954","0.001","90","","2596.6","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N4 O4 -","- C34 H24 N4 O4 -","- C136 H96 N16 O16 -","4","0.5","","Maes, Wouter; Van Rossom, Wim; Van Hecke, Kristof; Van Meervelt, Luc; Dehaen, Wim","Selective synthesis of functionalized thia- and oxacalix[2]arene[2]pyrimidines.","Organic letters","2006","8","18","4161","4164","10.1021/ol0617446","","","1.54178","CuKα","","0.0443","0.041","","","0.1072","0.1107","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506189","14.298","0.003","9.036","0.002","24.098","0.006","90","","103.915","0.004","90","","3022","1.2","120.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H51 Cl9 N4 -","- C69 H51 Cl9 N4 -","- C138 H102 Cl18 N8 -","2","0.5","","Higuchi, Masayoshi; Shomura, Ryo; Ohtsuka, Yuhki; Hayashi, Akari; Yamamoto, Kimihisa; Kurth, Dirk G.","Sequential metal ion assembly in cyclic phenylazomethine.","Organic letters","2006","8","21","4723","4726","10.1021/ol061758b","","","0.71069","MoKα","","","0.0609","","","","0.1891","","","","","","0.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506190","10.4953","0.0002","12.5604","0.0002","18.7166","0.0003","93.594","0.001","102.2","0.001","106.121","0.001","2297.33","0.07","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C94 H70 Cl8 -","- C94 H70 Cl8 -","- C94 H70 Cl8 -","1","0.5","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.1719","0.139","","","0.3195","0.3486","","","","","","2.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506191","28.4006","0.0005","10.1973","0.0003","16.7659","0.0004","90","","113.988","0.0011","90","","4436.19","0.19","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C57 H43 Cl2 -","- C57 H43 Cl2 -","- C228 H172 Cl8 -","4","0.5","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.1374","0.096","","","0.2326","0.2401","","","","","","1.873","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506192","10.5923","0.0003","10.641","0.0003","10.6696","0.0003","102.995","0.001","109.818","0.001","106.515","0.001","1013.57","0.05","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","","","- C55 H46 -","- C55 H46 -","- C55 H46 -","1","0.5","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.0783","0.0513","","","0.1354","0.1468","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506193","9.9995","0.0002","21.0286","0.0003","28.2579","0.0005","90","","97.321","0.0009","90","","5893.5","0.18","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C71 H56 Cl6 -","- C71 H56 Cl6 -","- C284 H224 Cl24 -","4","1","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.1963","0.0821","","","0.1925","0.2636","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506194","15.8018","0.0008","10.593","0.0006","13.4179","0.0004","90","","99.317","0.003","90","","2216.37","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 B10 Si2 -","- C14 H28 B10 Si2 -","- C56 H112 B40 Si8 -","4","1","","Núñez, Rosario; Gonzalez-Campo, Arantzazu; Laromaine, Anna; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko; Viñas, Clara","Synthesis of small carboranylsilane dendrons as scaffolds for multiple functionalizations.","Organic letters","2006","8","20","4549","4552","10.1021/ol061767k","","x-ray","0.71073","Mokα","","0.0787","0.046","","","0.1055","0.1167","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506195","7.7775","0.0002","14.1714","0.0003","15.9281","0.0005","96.034","0.002","103.042","0.002","100.443","0.002","1662.3","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H22 B10 Si -","- C9 H22 B10 Si -","- C36 H88 B40 Si4 -","4","2","","Núñez, Rosario; Gonzalez-Campo, Arantzazu; Laromaine, Anna; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko; Viñas, Clara","Synthesis of small carboranylsilane dendrons as scaffolds for multiple functionalizations.","Organic letters","2006","8","20","4549","4552","10.1021/ol061767k","","x-ray","0.71073","Mokα","","0.0559","0.0426","","","0.107","0.1142","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506196","16.7308","0.0012","13.0118","0.0005","19.7733","0.0013","90","","113.094","0.002","90","","3959.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 B10 Si -","- C14 H24 B10 Si -","- C112 H192 B80 Si8 -","8","2","","Núñez, Rosario; Gonzalez-Campo, Arantzazu; Laromaine, Anna; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko; Viñas, Clara","Synthesis of small carboranylsilane dendrons as scaffolds for multiple functionalizations.","Organic letters","2006","8","20","4549","4552","10.1021/ol061767k","","x-ray","0.71073","Mokα","","0.0949","0.0535","","","0.123","0.1398","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506197","15.884","0.0005","10.915","0.0003","23.3469","0.0007","90","","109.874","0.0015","90","","3806.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 O S -","- C50 H44 O S -","- C200 H176 O4 S4 -","4","1","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.1725","0.0791","","","0.1891","0.2344","","","","","","1.186","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506198","10.5328","0.0001","14.2613","0.0002","17.205","0.0003","67.351","0.0007","72.196","0.0008","70.479","0.0008","2200.91","0.06","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H45 N -","- C60 H45 N -","- C120 H90 N2 -","2","1","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.111","0.0596","","","0.1452","0.178","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506199","9.0731","0.0006","14.1751","0.0007","14.4817","0.0009","73.659","0.003","81.407","0.003","77.206","0.004","1735.34","0.18","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H34 S2 -","- C44 H34 S2 -","- C88 H68 S4 -","2","1","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.1551","0.0637","","","0.1365","0.1821","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506200","9.8963","0.0003","10.7278","0.0005","10.7354","0.0004","110.407","0.002","104.026","0.002","107.311","0.002","940.43","0.07","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H38 S2 -","- C52 H38 S2 -","- C52 H38 S2 -","1","0.5","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.1106","0.0612","","","0.149","0.1822","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506201","10.3765","0.0002","10.4444","0.0002","10.7639","0.0002","107.404","0.001","109.796","0.001","99.034","0.001","1003.08","0.04","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 Cl4 S2 -","- C46 H38 Cl4 S2 -","- C46 H38 Cl4 S2 -","1","0.5","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.0706","0.0555","","","0.153","0.1789","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506202","5.03","0.0004","12.3658","0.0009","14.072","0.001","102.516","0.001","95.968","0.001","95.375","0.001","843.74","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9.5 H11.5 N0.5 O S0.5 -","- C19 H23 N O2 S -","- C38 H46 N2 O4 S2 -","2","1","","Kim, Soo Min; Lee, Sang Ick; Chung, Young Keun","GaCl3-catalyzed formation of eight-membered rings from enynes bearing a cyclic olefin.","Organic letters","2006","8","24","5425","5427","10.1021/ol061801v","","","0.71073","MoKα","","0.0576","0.0446","","","0.1148","0.131","","","","","","1.146","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506203","5.5389","0.0005","8.4692","0.0008","27.111","0.003","90","","90","","90","","1271.8","0.2","138","","138","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O -","- C13 H14 Br N O -","- C52 H56 Br4 N4 O4 -","4","1","","Wender, Paul A.; Horan, Joshua C.","Synthesis and PKC binding of a new class of a-ring diversifiable bryostatin analogues utilizing a double asymmetric hydrogenation and cross-coupling strategy.","Organic letters","2006","8","20","4581","4584","10.1021/ol0618149","","","0.71073","MoKα","","0.0299","0.0271","","","0.0618","0.0625","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506204","13.328","0.007","22.154","0.008","15.638","0.006","90","0.005","108.17","0.006","90","0.005","4387","3","173.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Cl7 N O2 Si -","- C38 H54 Cl7 N O2 Si -","- C152 H216 Cl28 N4 O8 Si4 -","4","1","","Kondo, Shin-Ichi; Harada, Tomomi; Tanaka, Ryoji; Unno, Masafumi","Anion recognition by a silanediol-based receptor.","Organic letters","2006","8","20","4621","4624","10.1021/ol061822p","","","0.7107","MoKα","","","0.0793","","","","0.2238","","","","","","1.774","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506205","6.0107","0.0003","15.0074","0.0007","25.3448","0.0011","90","","90","","90","","2286.23","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Br O5 -","- C28 H23 Br O5 -","- C112 H92 Br4 O20 -","4","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0456","0.0333","","","0.0685","0.0727","","","","","","0.982","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506206","13.1894","0.0018","5.199","0.001","17.152","0.003","90","","110.015","0.007","90","","1105.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 Br O5 -","- C26 H23 Br O5 -","- C52 H46 Br2 O10 -","2","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0514","0.0388","","","0.0816","0.0857","","","","","","0.979","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506207","10.0462","0.0007","5.387","0.0004","19.6191","0.0014","90","","100.504","0.002","90","","1043.97","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O5 -","- C23 H23 Br O5 -","- C46 H46 Br2 O10 -","2","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0539","0.0384","","","0.0819","0.0869","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506208","7.4562","0.0012","16.273","0.003","11.316","0.002","90","","95.83","0.1","90","","1365.9","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","amino-pyrrolo[2,3-b]quinoxaline","1H-3a,8,13,13b-tetraazabenzo[b]cyclohepta[1,2,3-jk]fluorene","","- C17 H18 N4 -","- C17 H18 N4 -","- C68 H72 N16 -","4","1","","Gryko, Daniel T.; Piechowska, Joanna; Tasior, Mariusz; Waluk, Jacek; Orzanowska, Grazyna","From bifunctional nucleophilic behavior of DBU to a new heterocyclic fluorescent platform.","Organic letters","2006","8","21","4747","4750","10.1021/ol061827m","","","0.71073","MoKα","","0.1374","0.0691","","","0.169","0.1954","","","","","","0.96","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506209","10.447","0.002","11.215","0.002","37.269","0.008","90","","90","","90","","4366.6","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O3 -","- C25 H31 N O3 -","- C200 H248 N8 O24 -","8","2","","Lebeuf, Raphaël; Robert, Frédéric; Schenk, Kurt; Landais, Yannick","Desymmetrization of cyclohexa-2,5-dienes through a diastereoselective protonation-hydroamination cascade.","Organic letters","2006","8","21","4755","4758","10.1021/ol0618353","","","0.71073","MoKα","","0.0635","0.0463","","","0.061","0.0618","","","","","","2.765","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506210","6.8719","0.0002","8.3968","0.0002","12.8819","0.0004","90","","98.659","0.002","90","","734.84","0.04","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 Cl O3 S -","- C14 H17 Cl O3 S -","- C28 H34 Cl2 O6 S2 -","2","1","","Zhao, Hongda; Gorman, Jeffrey S. T.; Pagenkopf, Brian L.","Advances in Lewis acid controlled carbon-carbon bond-forming reactions enable a concise and convergent total synthesis of bullatacin.","Organic letters","2006","8","19","4379","4382","10.1021/ol061847o","","","0.71073","MoKα","","0.0487","0.0346","","","0.0626","0.0676","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506211","34.902","0.009","9.072","0.002","33.401","0.009","90","","109.749","0.001","90","","9954","4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 8","Tetracoordinate thiazetidine","","- C25 H15 F12 N O S -","- C25 H15 F12 N O S -","- C400 H240 F192 N16 O16 S16 -","16","2","","Kano, Naokazu; Daicho, Yuya; Kawashima, Takayuki","A potential intermediate for the aza-Corey-Chaykovsky reaction: synthesis, structure, and thermolysis of a pentacoordinate 1,2-thiazetidine 1-oxide.","Organic letters","2006","8","20","4625","4627","10.1021/ol0618499","","","0.7107","MoKα","","0.0748","0.049","","","0.1239","0.1469","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506212","10.371","0.004","16.811","0.007","14.108","0.006","90","","90","","90","","2459.7","1.7","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","compound 9","Pentacoordinate 1,2-thiazetidine","","- C25 H15 F12 N O2 S -","- C25 H15 F12 N O2 S -","- C100 H60 F48 N4 O8 S4 -","4","1","","Kano, Naokazu; Daicho, Yuya; Kawashima, Takayuki","A potential intermediate for the aza-Corey-Chaykovsky reaction: synthesis, structure, and thermolysis of a pentacoordinate 1,2-thiazetidine 1-oxide.","Organic letters","2006","8","20","4625","4627","10.1021/ol0618499","","","0.7107","MoKα","","0.0249","0.0243","","","0.0569","0.0572","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506213","17.5139","0.0009","5.3838","0.0004","23.798","0.002","90","","121.842","0.002","90","","1906.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C80 H108 N4 O24 -","4","1","","Coquerel, Yoann; Bensa, David; Doutheau, Alain; Rodriguez, Jean","Synthetic studies on the MARDi cascade: stereoselective synthesis of heterocyclic seven-membered rings.","Organic letters","2006","8","21","4819","4822","10.1021/ol061874e","","","0.71073","MoKα","","0.1157","0.0831","","","0.1627","0.1775","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506214","12.417","0.001","5.357","0.0003","18.569","0.002","90","0.01","96.63","0.005","90","0.01","1226.91","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 O6 -","- C11 H18 O6 -","- C44 H72 O24 -","4","1","","Coquerel, Yoann; Bensa, David; Doutheau, Alain; Rodriguez, Jean","Synthetic studies on the MARDi cascade: stereoselective synthesis of heterocyclic seven-membered rings.","Organic letters","2006","8","21","4819","4822","10.1021/ol061874e","","","0.71073","MoKα","","0.0881","0.0752","","","0.1874","0.197","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506215","23.094","0.005","21.226","0.004","27.759","0.006","90","","93.35","0.03","90","","13584","5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H58 N2 S4 -","- C68 H56 F6 N2 O4 S4 -","- C544 H448 F48 N16 O32 S32 -","8","2","","Kumar, Rajeev; Misra, Rajneesh; Chandrashekar, Tavarekere K.","Effect of meso aryl substituents on the synthesis of core-modified expanded porphyrins.","Organic letters","2006","8","21","4847","4850","10.1021/ol0619011","","","0.71073","MoKα","","0.1724","0.1109","","","0.2432","0.2721","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506216","20.19","0.005","21.348","0.005","24.339","0.009","98.401","0.005","100.779","0.005","115.219","0.004","9017","5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C117 H105 Fe6 O3 -","- C117 H105 Fe6 O3 -","- C468 H420 Fe24 O12 -","4","2","","Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra","Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.","Organic letters","2006","8","22","5041","5044","10.1021/ol061904d","","","0.71073","MoKα","","0.0935","0.0653","","","0.1693","0.1838","","","","","","1.106","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506217","7.8618","0.0003","23.0451","0.0007","15.497","0.0005","90","","103.565","0.002","90","","2729.36","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H13 Fe I -","- C16 H13 Fe I -","- C128 H104 Fe8 I8 -","8","2","","Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra","Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.","Organic letters","2006","8","22","5041","5044","10.1021/ol061904d","","","1.54178","CuKα","","0.0379","0.0377","","","0.0962","0.0964","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506218","12.6557","0.0006","7.8068","0.0004","12.6535","0.0006","90","","104.579","0.002","90","","1209.92","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Fe2 -","- C34 H26 Fe2 -","- C68 H52 Fe4 -","2","0.5","","Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra","Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.","Organic letters","2006","8","22","5041","5044","10.1021/ol061904d","","","1.54178","CuKα","","0.0438","0.0345","","","0.0745","0.0779","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506219","12.3611","0.0007","13.3819","0.0007","12.5042","0.0007","90","","108.934","0.001","90","","1956.47","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br2 N O -","- C22 H19 Br2 N O -","- C88 H76 Br8 N4 O4 -","4","1","","Lazareva, Anna; Daugulis, Olafs","Direct palladium-catalyzed ortho-arylation of benzylamines.","Organic letters","2006","8","23","5211","5213","10.1021/ol061919b","","","0.71073","MoKα","","0.0254","0.0207","","","0.0552","0.0572","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506220","7.3419","0.0007","24.75","0.002","7.8224","0.0007","90","","107","0.002","90","","1359.3","0.2","100","2","293","2","","","","","","","synthetic","3","P 1 21/a 1","-P 2yab","14","","pyran-2-one annulated tetrahelicene RI-2","","- C21 H12 O2 -","- C21 H12 O2 -","- C84 H48 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71073","MoKα","","0.0815","0.057","","","0.1235","0.1634","","","","","","1.151","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506221","12.559","0.005","5.626","0.005","19.945","0.005","90","","104.03","","90","","1367.2","1.4","293","2","293","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","","2-pyranone-annulated tetrahelicenes RI-1","","- C21 H12 O2 -","- C21 H12 O2 -","- C84 H48 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71073","MoKα","","0.1751","0.1327","","","0.3673","0.3935","","","","","","1.127","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506222","11.202","0.005","7.167","0.005","18.199","0.005","90","0.005","94.155","0.005","90","0.005","1457.3","1.3","293","2","293","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","","4-methyl-pyran-2-one fused tetrahelicenes RI-1","","- C22 H14 O2 -","- C22 H14 O2 -","- C88 H56 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71069","MoKα","","0.087","0.0632","","","0.1568","0.1964","","","","","","1.227","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506223","7.885","0.005","26.061","0.005","7.474","0.005","90","0.005","111.659","0.005","90","0.005","1427.4","1.3","293","2","293","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","","4-methyl-pyran-2-one annulated tetrahelicenes RI-2","","- C22 H14 O2 -","- C22 H14 O2 -","- C88 H56 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71069","MoKα","","0.1068","0.0753","","","0.1771","0.2238","","","","","","1.229","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506224","17.351","0.004","23.605","0.005","14.941","0.003","90","","90","","90","","6119","2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24.5 H25 Cl Cu F12 N8 P2 -","- C24.5 H25 Cl Cu F12 N8 P2 -","- C196 H200 Cl8 Cu8 F96 N64 P16 -","8","1","","Gong, Han-Yuan; Zheng, Qi-Yu; Zhang, Xiao-Hang; Wang, De-Xian; Wang, Mei-Xiang","Methylazacalix[4]pyridine: en route to Zn2±specific fluoresence sensors.","Organic letters","2006","8","21","4895","4898","10.1021/ol061928k","","","0.71073","MoKα","","0.0979","0.0439","","","0.0853","0.0912","","","","","","0.694","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506225","8.4301","0.0007","25.655","0.002","10.6102","0.0009","90","","105.677","0.001","90","","2209.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","06196","","","- C21 H28 N4 O9 -","- C21 H28 N4 O9 -","- C84 H112 N16 O36 -","4","1","","Gerasyuto, Aleksey I.; Hsung, Richard P.","Stereodivergent total syntheses of precoccinelline, hippodamine, coccinelline, and convergine.","Organic letters","2006","8","21","4899","4902","10.1021/ol0619359","","","0.71073","MoKα","","0.0473","0.0391","","","0.0898","0.0937","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506226","6.0231","0.0012","18.81","0.004","19.088","0.004","90","","91.44","0.03","90","","2161.9","0.8","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O4 -","- C24 H32 O4 -","- C96 H128 O16 -","4","2","","Kwiatkowski, Piotr; Majer, Jakub; Chaładaj, Wojciech; Jurczak, Janusz","Highly diastereoselective Friedel-Crafts reaction of furans with 8-phenylmenthyl glyoxylate.","Organic letters","2006","8","22","5045","5048","10.1021/ol061943p","","","0.71073","MoKα","","0.0968","0.0811","","","0.2129","0.2279","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506227","9.736","0.005","15.884","0.005","11.886","0.005","90","0.005","97.432","0.005","90","0.005","1822.7","1.3","291","2","291","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 N2 O2 S -","- C20 N2 O2 S -","- C80 N8 O8 S4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.186","0.0935","","","0.1672","0.2252","","","","","","0.989","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506228","9.634","0.005","9.858","0.005","11.925","0.005","97.676","0.005","97.61","0.005","116.21","0.005","983.4","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C42 H48 N4 O4 S2 -","2","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1233","0.0785","","","0.205","0.2414","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506229","5.982","0.001","11.036","0.003","20.476","0.013","90","","90","","90","","1351.8","1","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl3 O -","- C13 H15 Cl3 O -","- C52 H60 Cl12 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.0922","0.0553","","","0.1408","0.17","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506230","11.499","0.005","11.633","0.005","21.44","0.005","82.286","0.005","81.579","0.005","76.573","0.005","2744.5","1.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 Cl3 O -","- C13 H15 Cl3 O -","- C104 H120 Cl24 O8 -","8","4","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.2011","0.0686","","","0.1636","0.2432","","","","","","0.896","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506231","6.951","0.003","7.903","0.004","14.659","0.004","90","","101.766","0.015","90","","788.4","0.6","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O -","- C20 H20 O -","- C40 H40 O2 -","2","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1171","0.0839","","","0.2011","0.2493","","","","","","0.969","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506232","7.544","0.003","15.504","0.004","11.984","0.004","90","","105.776","0.011","90","","1348.9","0.8","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl3 O -","- C13 H15 Cl3 O -","- C52 H60 Cl12 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.2052","0.0968","","","0.2596","0.2014","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506233","6.193","0.005","17.433","0.005","14.493","0.005","90","0.005","99.693","0.005","90","0.005","1542.4","1.4","291","2","291","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1797","0.0961","","","0.2076","0.1727","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506234","11.2356","0.0003","5.4389","0.0002","19.1892","0.0005","90","","90","","90","","1172.64","0.06","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Jervis, Peter J.; Kariuki, Benson M.; Cox, Liam R.","Stereoselective synthesis of 2,4,5-trisubstituted tetrahydropyrans using an intramolecular allylation strategy.","Organic letters","2006","8","20","4649","4652","10.1021/ol061957v","","","1.54178","CuKα","","0.0339","0.0312","","","0.0898","0.0927","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506235","10.1","0.0001","17.0482","0.0002","20.4921","0.0002","102.669","0.001","96.006","0.001","106.526","0.001","3247.31","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N-((Z)-1-((2R,3S)-3-hydroxy-3-methyl-2- phenylcyclohexylidene)(phenyl)methyl)valamide","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C150 H186 N6 O12 -","6","3","","Fleming, Fraser F.; Wei, Guoqing; Zhang, Zhiyu; Steward, Omar W.","Oxonitriles: a grignard addition-acylation route to enamides.","Organic letters","2006","8","21","4903","4906","10.1021/ol0619765","","","0.71073","MoKα","","0.0714","0.044","","","0.1277","0.1486","","","","","","0.912","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506236","12.7515","0.0003","15.6796","0.0003","19.48","0.0004","90","","104.275","0.001","90","","3774.54","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-((Z)-1-((2R,3S)-3-hydroxy-3-methyl-2- phenylcyclohexylidene)ethyl)pivalamide","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C160 H232 N8 O16 -","8","2","","Fleming, Fraser F.; Wei, Guoqing; Zhang, Zhiyu; Steward, Omar W.","Oxonitriles: a grignard addition-acylation route to enamides.","Organic letters","2006","8","21","4903","4906","10.1021/ol0619765","","","0.71073","MoKα","","0.0832","0.0462","","","0.1136","0.132","","","","","","1.03","","","","has coordinates,has disorder","193981","2020-10-21","18:00:00",""
"1506237","17.935","0.004","6.408","0.001","12.934","0.003","90","","99.607","0.003","90","","1465.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","03097","","","- C12 H19 N O4 Si -","- C12 H19 N O4 Si -","- C48 H76 N4 O16 Si4 -","4","1","","Hoye, Thomas R.; Dvornikovs, Vadims; Sizova, Elena","Silylative Dieckmann-like cyclizations of ester-imides (and diesters).","Organic letters","2006","8","23","5191","5194","10.1021/ol061988q","","","0.71073","MoKα","","0.117","0.0937","","","0.2","0.2115","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506238","7.7751","0.0017","15.225","0.003","32.622","0.007","90","","90","","90","","3861.7","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","06036b","","","- C15 H27 N O6 Si -","- C15 H27 N O6 Si -","- C120 H216 N8 O48 Si8 -","8","2","","Hoye, Thomas R.; Dvornikovs, Vadims; Sizova, Elena","Silylative Dieckmann-like cyclizations of ester-imides (and diesters).","Organic letters","2006","8","23","5191","5194","10.1021/ol061988q","","","0.71073","MoKα","","0.0905","0.0532","","","0.1128","0.1308","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506239","7.928","0.0013","7.9969","0.0013","12.261","0.002","83.526","0.003","78.836","0.003","62.414","0.003","675.69","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 Br O4 -","- C14 H13 Br O4 -","- C28 H26 Br2 O8 -","2","1","","Xu, Lubin; Huang, Xian; Zhong, Fangrui","Intermolecular tandem addition-cyclization of bromoallenes: a facile synthesis of methylenecyclopropyl carboxylates and polysubstituted furans.","Organic letters","2006","8","22","5061","5064","10.1021/ol061993u","","","0.71073","MoKα","","0.0707","0.0569","","","0.1335","0.1379","","","","","","0.951","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506240","36.957","0.003","9.8273","0.0009","16.7524","0.0017","90","","104.949","0.004","90","","5878.3","0.9","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 N2 -","- C40 H32 N2 -","- C320 H256 N16 -","8","1","","Kim, Hyunwoo; Yen, Cindy; Preston, Philippa; Chin, Jik","Substrate-directed stereoselectivity in vicinal diamine-catalyzed synthesis of warfarin.","Organic letters","2006","8","23","5239","5242","10.1021/ol062000v","","","1.54178","CuKα","","0.1834","0.0836","","","0.1979","0.2497","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506241","12.29","0.03","9.62","0.02","12.49","0.03","90","","100.76","0.03","90","","1451","6","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 Cl2 N2 O8 S -","- C25 H28 Cl2 N2 O8 S -","- C50 H56 Cl4 N4 O16 S2 -","2","1","","Li, Pixu; Forbeck, Erin M.; Evans, Cory D.; Joullié, Madeleine M","Trisubstituted aziridine ring-opening by phenol derivatives: stereo- and regioselective formation of chiral tertiary alkyl-aryl ethers.","Organic letters","2006","8","22","5105","5107","10.1021/ol062010w","","","0.71069","MoKα","","0.0921","0.0597","","","0.1435","0.2006","","","","","","0.967","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506242","27.991","0.007","27.991","0.007","20.057","0.007","90","","90","","120","","13609","7","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C42 H56 Cl2 N4 O12 -","- C42 H56 Cl2 N4 O12 -","- C378 H504 Cl18 N36 O108 -","9","1","","Hong, Wen-Xu; Chen, Ling-Jun; Zhong, Chun-Long; Yao, Zhu-Jun","Bidirectional synthesis of the central amino acid of chloptosin.","Organic letters","2006","8","21","4919","4922","10.1021/ol0620139","","","0.71073","MoKα","","0.2038","0.0963","","","0.2328","0.2847","","","","","","0.859","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506243","20.5365","0.0005","5.2508","0.0001","26.4263","0.0006","90","","90","","90","","2849.63","0.11","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","2","","Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C.","Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids.","Organic letters","2006","8","21","4959","4961","10.1021/ol062020x","","","0.71073","MoKα","","0.0508","0.0382","","0.0535","0.0468","0.0468","","","","","","1.1106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506244","7.7435","0.0003","10.657","0.0003","18.3316","0.0004","95.443","0.0018","97.0565","0.0018","103.869","0.0014","1445.36","0.08","200","","200","","","","","","","","local","3","P -1","-P 1","2","","","","- C18 H23 N -","- C18 H23 N -","- C72 H92 N4 -","4","2","","Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C.","Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids.","Organic letters","2006","8","21","4959","4961","10.1021/ol062020x","","","0.71073","MoKα","","0.0621","0.0439","","0.0627","0.0548","0.0548","","","","","","1.0935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506245","7.9681","0.0002","10.7207","0.0003","18.021","0.0003","96.5216","0.0015","98.1632","0.0017","104.245","0.0013","1459.16","0.06","200","","200","","","","","","","","local","3","P -1","-P 1","2","","","","- C18 H23 N -","- C18 H23 N -","- C72 H92 N4 -","4","2","","Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C.","Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids.","Organic letters","2006","8","21","4959","4961","10.1021/ol062020x","","","0.71073","MoKα","","0.0702","0.0419","","0.0747","0.0537","0.0537","","","","","","1.0874","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506246","13.7213","0.0009","7.7011","0.0006","19.5546","0.0013","90","","110.252","0.004","90","","1938.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O5 -","- C22 H15 N3 O5 -","- C88 H60 N12 O20 -","4","1","","Pinto, Artur; Neuville, Luc; Retailleau, Pascal; Zhu, Jieping","Synthesis of 3-(diarylmethylenyl)oxindole by a palladium-catalyzed domino carbopalladation/C-H activation/C-C bond-forming process.","Organic letters","2006","8","21","4927","4930","10.1021/ol062022h","","","0.71073","MoKα","","0.0797","0.0511","","","0.13","0.1509","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506247","9.712","0.005","27.09","0.005","7.598","0.005","90","","103.46","0.005","90","","1944.1","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C92 H72 N8 O16 -","4","1","","Pinto, Artur; Neuville, Luc; Retailleau, Pascal; Zhu, Jieping","Synthesis of 3-(diarylmethylenyl)oxindole by a palladium-catalyzed domino carbopalladation/C-H activation/C-C bond-forming process.","Organic letters","2006","8","21","4927","4930","10.1021/ol062022h","","","0.71069","MoKα","","0.1316","0.119","","","0.3701","0.3792","","","","","","1.168","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506248","4.4469","0.0004","11.4613","0.001","26.073","0.002","90","","93.528","0.002","90","","1326.35","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of the parent and substituted tetracyclic ABCD ring cores of camptothecins via 1-(3-aryl-2-propynyl)- 1,6-dihydro-6-oxo-2-pyridinecarbonitriles.","Organic letters","2006","8","20","4665","4667","10.1021/ol0620242","","","0.71073","MoKα","","0.0861","0.053","","","0.1385","0.164","","","","","","1.011","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506249","13.961","0.002","4.8222","0.0007","17.468","0.003","90","","108.14","0.002","90","","1117.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C60 H40 N8 O4 -","4","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of the parent and substituted tetracyclic ABCD ring cores of camptothecins via 1-(3-aryl-2-propynyl)- 1,6-dihydro-6-oxo-2-pyridinecarbonitriles.","Organic letters","2006","8","20","4665","4667","10.1021/ol0620242","","","0.71073","MoKα","","0.0983","0.0544","","","0.126","0.1522","","","","","","1.001","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506250","7.164","0.0009","20.24","0.003","9.0634","0.0013","90","","110.805","0.002","90","","1228.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of the parent and substituted tetracyclic ABCD ring cores of camptothecins via 1-(3-aryl-2-propynyl)- 1,6-dihydro-6-oxo-2-pyridinecarbonitriles.","Organic letters","2006","8","20","4665","4667","10.1021/ol0620242","","","0.71073","MoKα","","0.1068","0.0496","","","0.1168","0.1397","","","","","","1.011","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506251","10.2921","0.0017","11.3599","0.0019","17.186","0.003","74.811","0.002","77.22","0.002","76.606","0.002","1858.6","0.5","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C39 H46 Cl4 N4 Pd -","- C39 H46 Cl4 N4 Pd -","- C78 H92 Cl8 N8 Pd2 -","2","1","","Xu, Linlin; Ferrence, Gregory M.; Lash, Timothy D.","[22]Porphyrin-(3.1.1.3), a new vinylogous expanded porphyrin system.","Organic letters","2006","8","22","5113","5116","10.1021/ol062043b","","x-ray","0.71073","MoKα","","0.0725","0.0573","","","0.1579","0.1708","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506252","13.9922","0.0013","15.3095","0.0014","8.5436","0.0008","90","","98.035","0.002","90","","1812.2","0.3","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O4 S -","- C22 H17 N O4 S -","- C88 H68 N4 O16 S4 -","4","1","","Lauchli, Ryan; Shea, Kenneth J.","A synthesis of the welwistatin core.","Organic letters","2006","8","23","5287","5289","10.1021/ol0620747","","","0.71073","MoKα","","0.0463","0.0342","","","0.0854","0.0945","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506253","6.0057","0.0006","12.2328","0.0012","25.351","0.003","90","","90.591","0.005","90","","1862.4","0.3","190","2","190","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","Wang, Yi; Burton, Donald J.","Site-specific preparation of 2-carboalkoxy-4-substituted naphthalenes and 9-alkylphenanthrenes and evidence for an allene intermediate in the novel base-catalyzed cyclization of 2-alkynylbiphenyls.","Organic letters","2006","8","23","5295","5298","10.1021/ol0620850","","","0.71069","MoKα","","0.0688","0.043","","","0.0936","0.1043","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506254","9.4787","0.0001","9.6895","0.0001","27.4742","0.0003","90","","90","","90","","2523.34","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Parquette 1058","","","- C27 H22 Cl Cu N5 O4 -","- C27 H22 Cl Cu N5 O4 -","- C108 H88 Cl4 Cu4 N20 O16 -","4","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0288","0.0248","","0.062","","0.0607","","","1.046","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506255","10.0378","0.0001","17.8225","0.0001","19.2315","0.0002","90","","90","","90","","3440.49","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Parquette 1057","","","- C28 H23 Cl4 N5 Ni O4 -","- C28 H23 Cl4 N5 Ni O4 -","- C112 H92 Cl16 N20 Ni4 O16 -","4","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0457","0.0391","","0.0993","","0.0961","","","1.042","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506256","14.489","0.001","9.618","0.001","23.916","0.002","90","","91.48","0.004","90","","3331.7","0.5","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","Parquette 1208","","","- C36 H29 D3 N6 O4 S Zn -","- C36 H29 D3 N6 O4 S Zn -","- C144 H116 D12 N24 O16 S4 Zn4 -","4","2","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0468","0.0376","","","0.0867","0.0901","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506257","9.3015","0.0001","15.645","0.0002","23.0613","0.0003","90","","95.222","0.004","90","","3342","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","Parquette 1123","","","- C75 H58 D8 N10 O8 S2 Zn2 -","- C75 H58 D8 N10 O8 S2 Zn2 -","- C150 H116 D16 N20 O16 S4 Zn4 -","2","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0581","0.044","","0.1021","","0.0961","","","1.056","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506258","23.446","0.016","23.446","0.016","14.036","0.014","90","","90","","120","","6682","9","293","2","293","2","","","","","","","","3","P 65","P 65","170","xylogranatin A","","","- C38 H50 O14 -","- C38 H50 O14 -","- C228 H300 O84 -","6","1","","Yin, Sheng; Fan, Cheng-Qi; Wang, Xiao-Ning; Lin, Li-Ping; Ding, Jian; Yue, Jian-Min","Xylogranatins A-D: novel tetranortriterpenoids with an unusual 9,10-seco scaffold from marine mangrove Xylocarpus granatum.","Organic letters","2006","8","21","4935","4938","10.1021/ol062101t","","","0.71073","MoKα","","0.119","0.0806","","","0.2035","0.2233","","","","","","0.958","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506259","10.9275","0.0014","11.0354","0.0011","14.5086","0.0015","92.193","0.001","100.377","0.002","96.85","0.001","1705.5","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H41 N2 O11 -","- C34 H41 N2 O11 -","- C68 H82 N4 O22 -","2","1","","Zhang, Aimin; Ferguson, Joseph S.; Yamato, Kazuhiro; Zheng, Chong; Gong, Bing","Improving foldamer synthesis through protecting group induced unfolding of aromatic oligoamides.","Organic letters","2006","8","22","5117","5120","10.1021/ol062103d","","","0.71073","MoKα","","0.0631","0.0591","","","0.1498","0.1525","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506260","19.514","0.002","16.3891","0.0019","27.727","0.003","90","","101.243","0.002","90","","8697.4","1.6","203","2","203","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C88 H118 N4 O24 -","- C88 H118 N4 O24 -","- C352 H472 N16 O96 -","4","1","","Zhang, Aimin; Ferguson, Joseph S.; Yamato, Kazuhiro; Zheng, Chong; Gong, Bing","Improving foldamer synthesis through protecting group induced unfolding of aromatic oligoamides.","Organic letters","2006","8","22","5117","5120","10.1021/ol062103d","","","0.71073","MoKα","","0.0832","0.0761","","","0.2031","0.2085","","","","","","1.113","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506261","11.177","0.002","14.03","0.002","14.477","0.002","90","","90","","90","","2270.2","0.6","287","2","287","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C96 H152 N8 O16 -","8","1","","Gu, Peiming; Zhao, Yu-Ming; Tu, Yong Qiang; Ma, Yufei; Zhang, Fumin","Tandem semipinacol/Schmidt reaction leading to a versatile and efficient approach to azaquaternary alkaloid skeletons.","Organic letters","2006","8","23","5271","5273","10.1021/ol062116r","","","0.71073","MoKα","","0.0909","0.0426","","","0.0915","0.0988","","","","","","0.939","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506262","8.192","0.002","7.778","0.002","17.823","0.004","90","","99.82","0.02","90","","1119","0.5","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C48 H76 N4 O8 -","4","1","","Gu, Peiming; Zhao, Yu-Ming; Tu, Yong Qiang; Ma, Yufei; Zhang, Fumin","Tandem semipinacol/Schmidt reaction leading to a versatile and efficient approach to azaquaternary alkaloid skeletons.","Organic letters","2006","8","23","5271","5273","10.1021/ol062116r","","","0.71073","MoKα","","0.0749","0.0466","","","0.1232","0.1318","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506263","27.369","0.002","6.226","0.0005","25.329","0.0018","90","","90.231","0.001","90","","4316","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 N2 O5 -","- C23 H32 N2 O5 -","- C184 H256 N16 O40 -","8","1","","Arnott, Gareth; Clayden, Jonathan; Hamilton, Stuart D.","Azabicyclic amino acids by stereoselective dearomatizing cyclization of the enolates of N-nicotinoyl glycine derivatives.","Organic letters","2006","8","23","5325","5328","10.1021/ol062126s","","","0.71073","MoKα","","0.0465","0.0372","","","0.0958","0.0991","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506264","6.4308","0.0003","14.8616","0.0007","29.0316","0.0014","90","","90","","90","","2774.6","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Cl3 F3 N2 O6 S -","- C23 H26 Cl3 F3 N2 O6 S -","- C92 H104 Cl12 F12 N8 O24 S4 -","4","1","","Arnott, Gareth; Clayden, Jonathan; Hamilton, Stuart D.","Azabicyclic amino acids by stereoselective dearomatizing cyclization of the enolates of N-nicotinoyl glycine derivatives.","Organic letters","2006","8","23","5325","5328","10.1021/ol062126s","","","0.71073","MoKα","","0.0299","0.0284","","","0.0733","0.0744","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506265","12.0169","0.0002","15.9703","0.0003","16.131","0.0003","63.823","0.001","70.256","0.001","78.903","0.001","2611.45","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H69 Cl3 O12 -","- C53 H69 Cl3 O12 -","- C106 H138 Cl6 O24 -","2","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","0.71703","","","0.1476","0.0971","","","0.2065","0.2365","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506266","14.0187","0.0004","14.4583","0.0004","16.5822","0.0005","65.075","0.002","75.326","0.002","77.921","0.002","2928.34","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H85 N3 O14 -","- C62 H85 N3 O14 -","- C124 H170 N6 O28 -","2","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54184","CuKα","","0.0705","0.0587","","","0.1551","0.1659","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506267","17.3738","0.0006","15.9352","0.0005","24.4132","0.0008","90","","91.8","0.002","90","","6755.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H84 F12 K2 N2 O15 P2 -","- C60 H84 F12 K2 N2 O15 P2 -","- C240 H336 F48 K8 N8 O60 P8 -","4","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54178","CuKα","","0.0962","0.0764","","","0.2042","0.2226","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506268","33.394","0.001","15.559","0.001","24.951","0.001","90","","101.11","0.01","90","","12721","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 F6 Na O16 P -","- C62 H88 F6 Na O16 P -","- C496 H704 F48 Na8 O128 P8 -","8","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54178","CuKα","","0.0969","0.0669","","","0.1592","0.1808","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506269","33.607","0.001","15.5535","0.0005","24.7751","0.0008","90","","101.153","0.001","90","","12705.5","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 Cl Na O20 -","- C62 H88 Cl Na O20 -","- C496 H704 Cl8 Na8 O160 -","8","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54178","CuKα","","0.1225","0.0828","","","0.2166","0.252","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506270","14.792","0.003","10.495","0.002","16.383","0.003","90","","95.915","0.005","90","","2529.8","0.8","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 -","- C36 H26 -","- C144 H104 -","4","1","","Lu, Jian-Mei; Shi, Min","Lewis acid catalyzed reaction of arylvinylidenecyclopropanes with acetals: a facile synthetic protocol for the preparation of indene derivatives.","Organic letters","2006","8","23","5317","5320","10.1021/ol062189a","","","0.71073","MoKα","","0.2298","0.0715","","","0.1321","0.1827","","","","","","0.792","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506271","13.4196","0.0016","11.1258","0.0013","18.781","0.002","90","","93.243","0.002","90","","2799.6","0.6","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 -","- C38 H30 -","- C152 H120 -","4","1","","Lu, Jian-Mei; Shi, Min","Lewis acid catalyzed reaction of arylvinylidenecyclopropanes with acetals: a facile synthetic protocol for the preparation of indene derivatives.","Organic letters","2006","8","23","5317","5320","10.1021/ol062189a","","","0.71073","MoKα","","0.1341","0.0541","","","0.1276","0.1499","","","","","","0.83","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506272","10.675","0.002","11.455","0.003","12.152","0.003","94.968","0.004","95.671","0.004","117.303","0.004","1299.3","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H37 O3 P -","- C30 H37 O3 P -","- C60 H74 O6 P2 -","2","1","","Zhang, Dong; Gao, Ruomei; Afzal, Shabana; Vargas, Mario; Sharma, Shantanu; McCurdy, Alison; Yousufuddin, Muhammed; Stewart, Timothy; Bau, Robert; Selke, Matthias","Intramolecular arene epoxidation by phosphadioxiranes.","Organic letters","2006","8","22","5125","5128","10.1021/ol0622007","","x-ray","0.71073","MoKα","","0.0937","0.0645","","","0.1579","0.1661","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506273","10.999","0.006","11.201","0.006","21.538","0.012","90","","100.571","0.009","90","","2608","2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N O2 P -","- C30 H24 N O2 P -","- C120 H96 N4 O8 P4 -","4","1","","Zhang, Dong; Gao, Ruomei; Afzal, Shabana; Vargas, Mario; Sharma, Shantanu; McCurdy, Alison; Yousufuddin, Muhammed; Stewart, Timothy; Bau, Robert; Selke, Matthias","Intramolecular arene epoxidation by phosphadioxiranes.","Organic letters","2006","8","22","5125","5128","10.1021/ol0622007","","","0.71073","MoKα","","0.0974","0.0777","","","0.2286","0.2424","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506274","7.2566","0.0002","8.17537","0.00018","16.3566","0.0007","92.313","0.001","100.627","0.001","103.381","0.001","924.32","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C48 H36 N4 O2 -","2","1","","Paravidino, Monica; Bon, Robin S.; Scheffelaar, Rachel; Vugts, Danielle J.; Znabet, Anass; Schmitz, Rob F.; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Groen, Marinus B.; Orru, Romano V. A.","Diastereoselective multicomponent synthesis of dihydropyridones with an isocyanide functionality.","Organic letters","2006","8","23","5369","5372","10.1021/ol062204b","","","0.71073","MoKα","","0.0579","0.0437","","","0.1015","0.11","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506275","6.5663","0.0005","7.983","0.0006","20.8615","0.0017","90","","98.819","0.001","90","","1080.61","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F N S -","- C11 H10 F2 N2 S -","- C44 H40 F8 N8 S4 -","4","1","","Xu, Wei; Abboud, Khalil A.; Ghiviriga, Ion; Dolbier, Jr, William R; Rapp, Magdalena; Wnuk, Stanislaw F.","An unexpected reaction of trimethylsilyl fluorosulfonyldifluoroacetate (TFDA) with imidazoles. Formation of N-difluoromethylthioureas.","Organic letters","2006","8","24","5549","5551","10.1021/ol062213k","","","0.71073","MoKα","","0.0412","0.0365","","","0.1055","0.1089","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506276","12.3111","0.0002","10.7924","0.0002","14.003","0.0002","90","","114.56","0.0011","90","","1692.2","0.05","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl4 O -","- C16 H20 Cl4 O -","- C64 H80 Cl16 O4 -","4","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0395","0.0249","","0.0354","0.03","0.03","","","","","","1.0835","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506277","6.6694","0.0002","10.1604","0.0003","12.2442","0.0003","100.632","0.0019","94.9445","0.0017","94.3746","0.0018","808.83","0.04","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C16 H20 Cl4 O -","- C16 H20 Cl4 O -","- C32 H40 Cl8 O2 -","2","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.035","0.0272","","0.0383","0.0332","0.0332","","","","","","1.0552","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506278","6.6142","0.0001","12.218","0.0003","19.1863","0.0004","90","","92.6086","0.0015","90","","1548.88","0.06","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cl3 O -","- C16 H19 Cl3 O -","- C64 H76 Cl12 O4 -","4","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0392","0.024","","0.0349","0.0282","0.0282","","","","","","1.1022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506279","15.7868","0.0003","6.466","0.0001","16.3562","0.0003","90","","99.0435","0.0011","90","","1648.84","0.05","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 Cl3 O -","- C17 H21 Cl3 O -","- C68 H84 Cl12 O4 -","4","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0394","0.027","","0.0382","0.0316","0.0316","","","","","","1.0654","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506280","6.6052","0.0002","16.5809","0.0005","19.2553","0.0006","111.316","0.0013","93.605","0.002","99.927","0.002","1916.96","0.1","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C18 H21 Cl5 O -","- C18 H21 Cl5 O -","- C72 H84 Cl20 O4 -","4","2","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0878","0.0517","","0.0504","0.0452","0.0452","","","","","","1.0263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506281","15.461","0.001","5.7223","0.0003","17.076","0.001","90","","96.684","0.002","90","","1500.49","0.15","193.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H6 F6 S3 -","- C15.83 H6 F6 S2.69 -","- C63.32 H24 F24 S10.76 -","4","1","","Ie, Yutaka; Umemoto, Yoshikazu; Kaneda, Takahiro; Aso, Yoshio","Electronegative oligothiophenes based on a hexafluorocyclopentene-annelated thiophene unit.","Organic letters","2006","8","23","5381","5384","10.1021/ol062238j","","","0.7107","MoKα","","","0.047","","","","0.117","","","","","","1.031","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506282","34.977","0.002","5.7994","0.0003","15.474","0.001","90","","110.238","0.002","90","","2945.1","0.3","200.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H10 F12 S6 -","- C31.22 H10 F12 S5.62 -","- C124.88 H40 F48 S22.48 -","4","0.5","","Ie, Yutaka; Umemoto, Yoshikazu; Kaneda, Takahiro; Aso, Yoshio","Electronegative oligothiophenes based on a hexafluorocyclopentene-annelated thiophene unit.","Organic letters","2006","8","23","5381","5384","10.1021/ol062238j","","","0.7107","MoKα","","","0.0832","","","","0.2449","","","","","","2.898","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506283","8.463","0.0017","9.365","0.0019","26.305","0.005","90","","90","","90","","2084.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N3 O3 -","- C23 H22 N4 O5 -","- C92 H88 N16 O20 -","4","1","","Jiao, Rui H.; Xu, Shu; Liu, Jun Y.; Ge, Hui M.; Ding, Hui; Xu, Chen; Zhu, Hai L.; Tan, Ren X.","Chaetominine, a cytotoxic alkaloid produced by endophytic Chaetomium sp. IFB-E015.","Organic letters","2006","8","25","5709","5712","10.1021/ol062257t","","","0.71073","MoKα","","0.1707","0.1026","","","0.2805","0.3484","","","","","","1.154","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506284","12.087","0.003","7.895","0.002","19.07","0.005","90","","106.047","0.004","90","","1748.9","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Du, Yunfei; Liu, Renhe; Linn, Gregory; Zhao, Kang","Synthesis of N-substituted indole derivatives via PIFA-mediated intramolecular cyclization.","Organic letters","2006","8","26","5919","5922","10.1021/ol062288o","","","0.71073","MoKα","","0.0971","0.0467","","","0.1088","0.1329","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506285","7.942","0.005","10.334","0.006","19.787","0.012","90","","92.16","0.05","90","","1622.8","1.7","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H52 N2 O7 -","- C37 H52 N2 O7 -","- C74 H104 N4 O14 -","2","1","","Kushiro, Tetsuo; Hoshino, Masaki; Tsutsumi, Takehiko; Kawai, Ken-ichi; Shiro, Motoo; Shibuya, Masaaki; Ebizuka, Yutaka","Stereochemical course in water addition during LUP1-catalyzed triterpene cyclization.","Organic letters","2006","8","24","5589","5592","10.1021/ol062310d","","","0.71075","MoKα","","","0.053","","","","0.112","","","","","","0.986","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506286","9.397","0.0007","13.512","0.0005","13.991","0.001","90","","100.976","0.003","90","","1743.97","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5.33 H6.22 N2.67 O0.89 S0.89 -","- C5.33333 H8 N2.66667 O0.888889 S0.888889 -","- C48 H72 N24 O8 S8 -","9","2.25","","Basheer, Ahmad; Rappoport, Zvi","The first example of isomeric solid amide and its enol.","Organic letters","2006","8","26","5931","5934","10.1021/ol062322z","","","0.71073","MoKα","","0.0661","0.0438","","","0.1215","0.1318","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506287","6.4264","0.0008","9.4444","0.0011","13.293","0.0016","90","","96.777","0.002","90","","801.16","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O S -","- C6 H9 N3 O S -","- C24 H36 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","The first example of isomeric solid amide and its enol.","Organic letters","2006","8","26","5931","5934","10.1021/ol062322z","","","0.71073","MoKα","","0.039","0.0376","","","0.1007","0.1019","","","","","","1.069","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506288","9.2416","0.001","8.772","0.0009","15.567","0.0016","90","","90","","90","","1262","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H10 Cl3 N3 O S -","- C7 H10 Cl3 N3 O S -","- C28 H40 Cl12 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","The first example of isomeric solid amide and its enol.","Organic letters","2006","8","26","5931","5934","10.1021/ol062322z","","","0.71073","MoKα","","0.0397","0.0389","","","0.0952","0.0958","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506289","5.646","0.001","8.78","0.002","14.507","0.002","104.262","0.018","91.69","0.02","96.25","0.02","691.6","0.2","150","","150","","","","","","","","","3","P -1","-P 1","2","","8,8'-bis(9-benzyl-6-phenylpurine)","","- C36 H26 N8 -","- C36 H26 N8 -","- C36 H26 N8 -","1","0.5","","Cerna, Igor; Pohl, Radek; Klepetarová, Blanka; Hocek, Michal","Direct C-H arylation of purines: development of methodology and its use in regioselective synthesis of 2,6,8-trisubstituted purines.","Organic letters","2006","8","23","5389","5392","10.1021/ol062324j","","x-ray","1.54184","CuKα","","0.0435","0.0414","","0.0475","0.0469","0.0469","","","","","","1.1154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506290","10.1257","0.0008","10.4037","0.0008","11.2572","0.0009","101.247","0.007","114.349","0.008","106.926","0.007","963.7","0.18","150","","150","","","","","","","","","3","P -1","-P 1","2","","9-Benzyl-6-phenyl-8-(4-methylphenyl)purine","","- C25 H20 N4 -","- C25 H20 N4 -","- C50 H40 N8 -","2","1","","Cerna, Igor; Pohl, Radek; Klepetarová, Blanka; Hocek, Michal","Direct C-H arylation of purines: development of methodology and its use in regioselective synthesis of 2,6,8-trisubstituted purines.","Organic letters","2006","8","23","5389","5392","10.1021/ol062324j","","","1.5418","CuKα","","0.0549","0.0492","","0.0591","0.0562","0.0562","","","","","","1.1423","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506291","13.641","0.003","16.424","0.003","12.005","0.002","90","","94.29","0.03","90","","2682.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N4 O5 S -","- C29 H30 N4 O5 S -","- C116 H120 N16 O20 S4 -","4","1","","Kaiser, Hanns Martin; Lo, Wei Fun; Riahi, Abdol Majid; Spannenberg, Anke; Beller, Matthias; Tse, Man Kin","New synthetic protocols for the preparation of unsymmetrical bisindoles","Organic letters","2006","8","25","5761","5764","10.1021/ol062338p","","","0.71073","MoKα","","0.0879","0.0424","","","0.0816","0.0901","","","","","","0.81","","","","has coordinates,has disorder","189517","2020-10-21","18:00:00",""
"1506292","9.6694","0.0001","13.3238","0.0002","13.8318","0.0002","90","","90","","90","","1781.99","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F3 O6 -","- C17 H21 F3 O6 -","- C68 H84 F12 O24 -","4","1","","Sterk, Damjan; Stephan, Michel; Mohar, Barbara","Highly enantioselective transfer hydrogenation of fluoroalkyl ketones.","Organic letters","2006","8","26","5935","5938","10.1021/ol062358r","","","0.71073","MoKα","","0.0571","0.0443","","","0.103","0.1132","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506293","6.6648","0.0001","8.1816","0.0002","18.7439","0.0004","90","","90","","90","","1022.08","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F3 N O -","- C9 H10 F3 N O -","- C36 H40 F12 N4 O4 -","4","1","","Sterk, Damjan; Stephan, Michel; Mohar, Barbara","Highly enantioselective transfer hydrogenation of fluoroalkyl ketones.","Organic letters","2006","8","26","5935","5938","10.1021/ol062358r","","","0.71073","MoKα","","0.0538","0.0416","","","0.1018","0.111","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506294","16.871","0.005","22.046","0.006","22.462","0.006","90","","103.148","0.006","90","","8135","4","125","2","125","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Cyclo-octafurans","","","- C88 H16 F40 O8 -","- C88 H16 F40 O8 -","- C352 H64 F160 O32 -","4","1","","Reddy, J. Sreedhar; Mandal, Sukhendu; Anand, Venkataramanarao G.","Cyclic oligofurans: one-pot synthesis of 30pi and 40pi expanded porphyrinoids.","Organic letters","2006","8","24","5541","5543","10.1021/ol062359j","","","0.71073","MoKα","","0.1468","0.0995","","","0.1754","0.1934","","","","","","1.19","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506295","5.1126","0.0006","13.096","0.002","14.347","0.002","90","","90","","90","","960.6","0.2","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Shibahara, Fumitoshi; Kitagawa, Asumi; Yamaguchi, Eiji; Murai, Toshiaki","Synthesis of 2-azaindolizines by using an iodine-mediated oxidative desulfurization promoted cyclization of N-2-pyridylmethyl thioamides and an investigation of their photophysical properties.","Organic letters","2006","8","24","5621","5624","10.1021/ol0623623","","","0.7107","MoKα","","","0.071","","","","0.1425","","","","","","1.081","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506296","8.049","0.004","10.286","0.006","12.388","0.007","90.925","0.007","101.862","0.007","98.595","0.007","991.3","0.9","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N6 S -","- C24 H16 N6 S -","- C48 H32 N12 S2 -","2","1","","Shibahara, Fumitoshi; Kitagawa, Asumi; Yamaguchi, Eiji; Murai, Toshiaki","Synthesis of 2-azaindolizines by using an iodine-mediated oxidative desulfurization promoted cyclization of N-2-pyridylmethyl thioamides and an investigation of their photophysical properties.","Organic letters","2006","8","24","5621","5624","10.1021/ol0623623","","","0.7107","MoKα","","","0.0616","","","","0.1384","","","","","","1.353","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506297","9.642","0.0002","9.953","0.0002","16.2792","0.0003","97.093","0.001","92.531","0.001","97.689","0.001","1533.44","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","2","","Singh, C. B.; Murru, Siva; Kavala, Veerababurao; Patel, Bhisma K.","It is ""thiazolidene-2-imine"" and not imidazole-2-thione as the reaction product of 1-benzoyl-3-phenylthiourea with Br(2)/enolizable ketone.","Organic letters","2006","8","23","5397","5399","10.1021/ol062371b","","","0.71073","MoKα","","0.1087","0.0499","","","0.1175","0.1496","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506298","10.4679","0.0013","15.2299","0.0018","11.7243","0.0014","90","","101.491","0.009","90","","1831.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O S -","- C22 H16 N2 O S -","- C88 H64 N8 O4 S4 -","4","1","","Singh, C. B.; Murru, Siva; Kavala, Veerababurao; Patel, Bhisma K.","It is ""thiazolidene-2-imine"" and not imidazole-2-thione as the reaction product of 1-benzoyl-3-phenylthiourea with Br(2)/enolizable ketone.","Organic letters","2006","8","23","5397","5399","10.1021/ol062371b","","","0.71073","MoKα","","0.1827","0.0739","","","0.1326","0.1597","","","","","","1.176","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506299","16.059","0.002","13.4006","0.0018","7.6695","0.0011","90","","98.68","0.001","90","","1631.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br N2 O S -","- C17 H13 Br N2 O S -","- C68 H52 Br4 N8 O4 S4 -","4","1","","Singh, C. B.; Murru, Siva; Kavala, Veerababurao; Patel, Bhisma K.","It is ""thiazolidene-2-imine"" and not imidazole-2-thione as the reaction product of 1-benzoyl-3-phenylthiourea with Br(2)/enolizable ketone.","Organic letters","2006","8","23","5397","5399","10.1021/ol062371b","","","0.71073","MoKα","","0.0844","0.0508","","","0.1215","0.1394","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506300","10.9577","0.0018","9.0799","0.0015","11.3076","0.0019","90","","96.931","0.002","90","","1116.8","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","frojm02","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Malona, John A.; Colbourne, Jessica M.; Frontier, Alison J.","A general method for the catalytic nazarov cyclization of heteroaromatic compounds.","Organic letters","2006","8","24","5661","5664","10.1021/ol062403v","","","0.71073","MoKα","","0.0392","0.0353","","","0.097","0.0999","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506301","11.0511","0.001","20.5371","0.0016","9.0441","0.0008","90","","96.047","0.004","90","","2041.2","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Duan, Xin-Hua; Guo, Li-Na; Bi, Hai-Peng; Liu, Xue-Yuan; Liang, Yong-Min","Highly regioselective synthesis of 2,3-disubstituted indenes via a novel palladium-catalyzed cyclization reaction of propargylic carbonates with carbon nucleophiles.","Organic letters","2006","8","25","5777","5780","10.1021/ol062405f","","","0.71073","MoKα","","0.0977","0.0603","","","0.1856","0.2172","","","","","","1.183","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506302","8.193","0.0007","8.974","0.0009","18.504","0.0013","89.169","0.008","81.157","0.006","72.754","0.008","1283.2","0.2","122","2","122","2","","","","","","","","3","P -1","-P 1","2","2,4,5,7-tetramethoxynaphthaldehyde","2,4,5,7-tetramethoxynaphthaldehyde","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","2","","Pittelkow, Michael; Boas, Ulrik; Christensen, Jørn B","Carbocations in action. Design, synthesis, and evaluation of a highly acid-sensitive naphthalene-based backbone amide linker for solid-phase synthesis.","Organic letters","2006","8","25","5817","5820","10.1021/ol062410j","","","0.71073","MoKα","","0.0487","0.0403","","","0.1183","0.1258","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506303","7.764","0.002","21.989","0.006","8.721","0.002","90","","94.738","0.004","90","","1483.8","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","","Dahl, Bart J.; Branchaud, Bruce P.","180 degree unidirectional bond rotation in a biaryl lactone artificial molecular motor prototype.","Organic letters","2006","8","25","5841","5844","10.1021/ol062428u","","","0.71073","MoKα","","0.0575","0.0447","","","0.1039","0.1134","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506304","7.7003","0.0009","12.9161","0.0015","14.763","0.0017","87.536","0.002","84.658","0.002","74.544","0.002","1408.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H18 F6 N4 O8 Pd2 S2 -","- C22 H18 F6 N4 O8 Pd2 S2 -","- C44 H36 F12 N8 O16 Pd4 S4 -","2","1","","Zhao, Baowei; Lu, Xiyan","Cationic palladium(II)-catalyzed addition of arylboronic acids to nitriles. One-step synthesis of benzofurans from phenoxyacetonitriles.","Organic letters","2006","8","26","5987","5990","10.1021/ol062438v","","","0.71073","MoKα","","0.0716","0.0526","","","0.118","0.1255","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506305","16.654","0.003","17.694","0.004","17.91","0.004","77.62","0.03","64.1","0.03","89.91","0.03","4612","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46.38 H37 Cl2.76 N10 O2 -","- C46.378 H37 Cl2.756 N10 O2 -","- C185.512 H148 Cl11.024 N40 O8 -","4","2","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.208","0.1485","","","0.4639","0.483","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506306","13.477","0.003","15.305","0.003","16.878","0.003","76.66","0.03","89.07","0.03","88.22","0.03","3385.6","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33.5 H27.5 Cl2 N10.5 O2.5 -","- C33.5 H27.5 Cl2 N10.5 O2.5 -","- C134 H110 Cl8 N42 O10 -","4","2","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.1802","0.1191","","","0.3283","0.3646","","","","","","1.091","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506307","13.007","0.003","14.042","0.003","16.794","0.003","90","","90","","90","","3067.3","1.1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H24 Cl2 N10 -","- C32 H24 Cl2 N10 -","- C128 H96 Cl8 N40 -","4","1","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.054","0.0353","","","0.0648","0.0675","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506308","26.598","0.005","9.4281","0.0019","20.033","0.004","90","","110.21","0.03","90","","4714.4","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H50 Cl2 N12 O4 -","- C51 H49 Cl2 N12 O4 -","- C204 H196 Cl8 N48 O16 -","4","0.5","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.0791","0.0588","","","0.1551","0.1714","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506309","16.54","0.003","8.832","0.0018","30.088","0.006","90","","104.33","0.03","90","","4258.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Cl2 N10 O -","- C46 H36 Cl2 N10 O -","- C184 H144 Cl8 N40 O4 -","4","1","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.1254","0.0634","","","0.1791","0.1959","","","","","","0.97","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506310","11.1854","0.0015","34.814","0.005","7.0886","0.001","90","","106.175","0.002","90","","2651.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N2 O3 -","- C30 H36 N2 O3 -","- C120 H144 N8 O12 -","4","1","","Hopkins, Chad D.; Malinakova, Helena C.","Allylpalladium umpolung in the three-component coupling synthesis of homoallylic amines.","Organic letters","2006","8","26","5971","5974","10.1021/ol0624528","","","0.71073","MoKα","","0.091","0.0692","","","0.1483","0.1589","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506311","24.468","0.002","24.214","0.003","19.3043","0.0019","90","","102.267","0.007","90","","11176","2","173.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C105.5 H143 N8 O8.5 -","- C105.5 H124 N8 O8.5 -","- C422 H496 N32 O34 -","4","0.5","","Ishibashi, Koichi; Tsue, Hirohito; Tokita, Satoshi; Matsui, Kazuhiro; Takahashi, Hiroki; Tamura, Rui","Regioselectively N-methylated azacalix[8]arene octamethyl ether prepared by catalytic aryl amination reaction using a temporal N-silylation protocol.","Organic letters","2006","8","26","5991","5994","10.1021/ol062459p","","","0.71075","MoKα","","","0.1226","","","","0.3856","","","","","","1.136","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506312","5.762","0.003","9.213","0.004","38.396","0.018","90","","90","","90","","2038.3","1.7","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 -","- C26 H26 N2 -","- C104 H104 N8 -","4","1","","Williams, Amie L.; Srinivasan, Jayasree M.; Johnston, Jeffrey N.","Synthesis of an advanced intermediate en route to the mitomycin natural products.","Organic letters","2006","8","26","6047","6049","10.1021/ol0624676","","","0.71073","MoKα","","0.094","0.0638","","","0.1416","0.1577","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506313","8.6454","0.0012","10.7876","0.0017","13.704","0.002","90","","90","","90","","1278.1","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,5R,6S)-2,6,7-Trimethyl-5-phenyl-1,4-dioxa-7-azaspiro[2.5]octan-8-one","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Pansare, Sunil V.; Adsool, Vikrant A.","Enantioselective synthesis of functionalized medium-sized oxacycles.","Organic letters","2006","8","25","5897","5899","10.1021/ol062484v","","","0.7107","MoKα","","0.0496","0.0446","","","0.1072","0.1103","","","","","","1.072","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506314","29.6799","0.0003","6.1328","","16.0196","0.0003","90","","96.368","0.002","90","","2897.91","0.06","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H34 Cl N3 O6 -","- C30 H34 Cl N3 O6 -","- C120 H136 Cl4 N12 O24 -","4","1","","Mizoguchi, Jun-ichi; Kawanami, Yuko; Wada, Takehiko; Kodama, Kazuya; Anzai, Kinsei; Yanagi, Toshiharu; Inoue, Yoshihisa","Enantiodifferentiating photocyclodimerization of 2-anthracenecarboxylic acid using a chiral N-(2-hydroxymethyl-4- pyrrolidinyl)benzamide template.","Organic letters","2006","8","26","6051","6054","10.1021/ol062501g","","","0.71069","MoKα","","","0.0559","","","","0.1129","","","","","","0.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506315","8.7336","0.0017","7.8955","0.0016","14.484","0.003","90","","95.04","0.03","90","","994.9","0.4","293","2","293","2","","","101","","","","Synthetic","5","P 1 c 1","P -2yc","7","Hydrazine Derivative","(E)-N-phthalyl-2-(3-chlorophenyl)-2-phenylcyclobutylidene hydrazine","","- C24 H17 Cl N2 O2 -","- C24 H17 Cl N2 O2 -","- C48 H34 Cl2 N4 O4 -","2","1","","Liang, Yong; Jiao, Lei; Wang, Yuanyuan; Chen, Yuanyuan; Ma, Linge; Xu, Jiaxi; Zhang, Shiwei; Yu, Zhi-Xiang","Nitrene equivalent mediated metal-free ring expansions of alkylidenecyclopropanes and an alkylidenecyclobutane.","Organic letters","2006","8","25","5877","5879","10.1021/ol062504t","","x-ray","0.71073","MoKα","","0.05","0.0393","","","0.0914","0.0947","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506316","9.544","0.002","11.546","0.003","10.453","0.003","90","0.0008","107.808","0.0009","90","0.0008","1096.7","0.5","123","2","123","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 -","- C32 H26 -","- C64 H52 -","2","0.5","","Ohkubo, Kei; Iwata, Ryosuke; Miyazaki, Soushi; Kojima, Takahiko; Fukuzumi, Shunichi","Photocatalytic formation of dimethyllepidopterene from 9,10-dimethylanthracene via electron-transfer oxidation.","Organic letters","2006","8","26","6079","6082","10.1021/ol062554y","","","0.7107","MoKα","","0.0498","0.0396","","","0.0988","0.1054","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506317","16.235","0.003","18.066","0.003","18.447","0.003","104.899","0.003","114.991","0.003","93.152","0.003","4655.7","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H39 Cl9 N2 O16 -","- C104 H39 Cl9 N2 O16 -","- C208 H78 Cl18 N4 O32 -","2","1","","Chuang, Shih-Ching; Khan, Saeed I.; Rubin, Yves","Switch of electronic reactivity in fullerene C60: activation of three trans-4 positions via temporary saturation of the cis-1 positions.","Organic letters","2006","8","26","6075","6078","10.1021/ol0625637","","","0.71073","MoKα","","0.155","0.0657","","","0.1514","0.1758","","","","","","0.812","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506318","6.4138","0.0005","10.5196","0.0009","17.152","0.0014","90","","99.808","0.001","90","","1140.34","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H10 F2 N2 O4 S -","- C9 H9.5 F2.2 N2 O4 S -","- C36 H38 F8.8 N8 O16 S4 -","4","2","","Zheng, Feng; Zhang, Xiao-Hua; Qiu, Xiao-Long; Zhang, Xingang; Qing, Feng-Ling","Synthesis of L-beta-3'-deoxy-3',3'-difluoro-4'-thionucleosides.","Organic letters","2006","8","26","6083","6086","10.1021/ol062576k","","","0.71073","MoKα","","0.0618","0.0583","","","0.1624","0.1704","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506319","24.442","0.007","13.34","0.003","13.024","0.003","90","","95.52","0.02","90","","4226.9","1.8","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2","1-Methyl-1-phenyl-dithieno[3,2-b:2',3'-d]phospholium triflate","","- C14 H18.38 F2.63 O2.63 P0.88 S3 -","- C16 H12 F3 O3 P S3 -","- C128 H96 F24 O24 P8 S24 -","8","1","","Durben, Stefan; Dienes, Yvonne; Baumgartner, Thomas","Cationic dithieno[3,2-b:2',3'-d]phospholes: a new building block for luminescent, conjugated polyelectrolytes.","Organic letters","2006","8","25","5893","5896","10.1021/ol062580w","","","0.71073","MoKα","","0.1222","0.0773","","","0.1888","0.204","","","","","","1.14","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1506320","23.721","0.003","23.721","0.003","12.93","0.003","90","","90","","120","","6300.8","1.8","293","2","293","2","","","","","","","","4","P 65","P 65","170","","Boc-(S,S)-c3diPhe-(R,R)-c3diPhe-NHiPr","","- C40 H43 N3 O4 -","- C40 H43 N3 O4 -","- C240 H258 N18 O24 -","6","1","","Crisma, Marco; Toniolo, Claudio; Royo, Soledad; Jiménez, Ana I; Cativiela, Carlos","A helical, aromatic, peptide nanotube.","Organic letters","2006","8","26","6091","6094","10.1021/ol062600u","","","1.54178","CuKα","","0.0744","0.0605","","","0.1594","0.1708","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506321","5.9829","0.0011","7.272","0.0014","41.691","0.008","90","","90","","90","","1813.9","0.6","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br F3 O4 -","- C18 H16 Br F3 O4 -","- C72 H64 Br4 F12 O16 -","4","1","","Zhao, Jun-Ling; Liu, Li; Sui, Yong; Liu, Yu-Liang; Wang, Dong; Chen, Yong-Jun","Catalytic and highly enantioselective Friedel-Crafts alkylation of aromatic ethers with trifluoropyruvate under solvent-free conditions.","Organic letters","2006","8","26","6127","6130","10.1021/ol0626037","","","0.71073","MoKα","","0.0578","0.051","","","0.1723","0.1776","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506322","9.8623","0.0007","10.1661","0.0008","24.4608","0.0017","90","","90","","90","","2452.5","0.3","173","","173","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl2 Cu N6 O2 -","- C22 H30 Cl2 Cu N6 O2 -","- C88 H120 Cl8 Cu4 N24 O8 -","4","1","","Rasappan, Ramesh; Hager, Markus; Gissibl, Anja; Reiser, Oliver","Highly enantioselective michael additions of indole to benzylidene malonate using simple bis(oxazoline) ligands: importance of metal/ligand ratio.","Organic letters","2006","8","26","6099","6102","10.1021/ol062697k","","","0.71073","MoKα","","0.039","0.0344","","","0.0806","0.0817","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506323","12.0986","0.0018","12.7138","0.0018","13.3209","0.0017","77.309","0.016","81.44","0.016","74.732","0.017","1919.4","0.5","123","","123","1","","","","","","","see text","6","P 1","P 1","1","","","","- C56 H78 Cl4 Cu2 N18 O21 -","- C56 H78 Cl4 Cu2 N18 O21 -","- C56 H78 Cl4 Cu2 N18 O21 -","1","1","","Rasappan, Ramesh; Hager, Markus; Gissibl, Anja; Reiser, Oliver","Highly enantioselective michael additions of indole to benzylidene malonate using simple bis(oxazoline) ligands: importance of metal/ligand ratio.","Organic letters","2006","8","26","6099","6102","10.1021/ol062697k","","","0.71073","MoKα","","0.0919","0.0748","","","0.2015","0.2104","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506324","11.1077","0.0006","11.1077","0.0006","24.942","0.003","90","","90","","120","","2665.1","0.4","150","","150","","","","","","","","","6","P 32","P 32","145","[Rh(dtbpb)(nbd)]PF6","[Bis(di-tert-butylphosphino-κ2,P,P)benzene](norbornadiene)rhodium(I) PF6","","- C33 H56 F6 O P3 Rh -","- C33 H56 F6 O P3 Rh -","- C99 H168 F18 O3 P9 Rh3 -","3","1","","Yamamoto, Yoshikazu; Koizumi, Toru; Katagiri, Kosuke; Furuya, Yui; Danjo, Hiroshi; Imamoto, Tsuneo; Yamaguchi, Kentaro","Facile synthesis of highly congested 1,2-diphosphinobenzenes from bis(phosphine)boronium salts.","Organic letters","2006","8","26","6103","6106","10.1021/ol062717i","","x-ray","0.71073","MoKα","","0.0588","0.0495","","","0.1129","0.12","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507214","24.946","0.003","24.946","0.003","24.946","0.003","90","","90","","90","","15524","3","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Faujasite","- Al71 Na71 O384 Si121 -","- Al71.04 Na70.56 O384 Si120.96 -","- Al71.04 Na70.56 O384 Si120.96 -","1","0.00520833","","Seo, S.M.; Kim, G.H.; Lee, H.S.; Ko, S.-O.; Lee, O.S.; Kim, Y.H.; Kim, S.H.; Heo, N.H.; Lim, W.T.","Single-crystal structure of fully dehydrated sodium zeolite Y (FAU), Na 71 (Si121 Al71 O384) - FAU","Analytical Sciences: X-ray Structure Analysis Online","2006","22","","x209","x210","10.2116/analscix.22.x209","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1507775","6.5454","0.0003","7.0643","0.0003","19.9697","0.0005","90","","99.382","0.002","90","","911.02","0.06","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Mo O11 P3 Pb2 -","- Mo O11 P3 Pb2 -","- Mo4 O44 P12 Pb8 -","4","1","","Leclaire, A; Raveau, B","A Mo(III) lead phosphate with an intersecting tunnel structure: Pb2Mo(P2O7)(PO4)","Materials Research Bulletin","2006","41","","967","972","10.1016/j.materresbull.2006.02.006","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508435","13.9751","0.001","6.2091","0.0004","6.3753","0.0004","90","","90","","90","","553.2","0.06","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cu H3 O7 S Tb -","- Cu H3 O7 S Tb -","- Cu4 H12 O28 S4 Tb4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0198","0.0188","","","0.0482","0.0486","","","","","","1.146","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508436","13.264","0.0009","6.1681","0.0004","6.5148","0.0005","90","","90","","90","","533","0.06","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H3 Ni O7 S Tb -","- H3 Ni O7 S Tb -","- H12 Ni4 O28 S4 Tb4 -","4","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0346","0.0339","","","0.0844","0.0848","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508437","13.256","0.0008","6.132","0.0004","6.4907","0.0004","90","","90","","90","","527.6","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Dy H3 Ni O7 S -","- Dy H3 Ni O7 S -","- Dy4 H12 Ni4 O28 S4 -","4","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.032","0.0316","","","0.0812","0.0814","","","","","","1.068","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508438","7.0908","0.0006","7.2442","0.0006","10.3789","0.0009","90","","90","","90","","533.13","0.08","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Gd H3 Ni O7 S -","- Gd H3 Ni O7 S -","- Gd4 H12 Ni4 O28 S4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0219","0.0182","","","0.0432","0.0443","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508439","7.0438","0.0015","7.2424","0.0015","10.333","0.002","90","","90","","90","","527.13","0.19","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H3 Ni O7 S Tb -","- H3 Ni O7 S Tb -","- H12 Ni4 O28 S4 Tb4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0218","0.0202","","","0.0528","0.0536","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508440","6.9667","0.0008","7.2008","0.0008","10.2499","0.0012","90","","90","","90","","514.19","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Dy H3 Ni O7 S -","- Dy H3 Ni O7 S -","- Dy4 H12 Ni4 O28 S4 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.025","0.0214","","","0.055","0.0562","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508441","11.6889","0.0007","6.866","0.0004","12.528","0.0008","90","","97.092","0.001","90","","997.75","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Cu F H5 O12 S2 Tb2 -","- Cu F H5 O12 S2 Tb2 -","- Cu4 F4 H20 O48 S8 Tb8 -","4","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.037","0.0358","","","0.1039","0.1048","","","","","","1.18","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509622","16.5328","","10.6286","","10.5452","","90","","90","","90","","1853.01","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","K Ag11 (V O4)4","","- Ag11 K O16 V4 -","- Ag11 K O16 V4 -","- Ag44 K4 O64 V16 -","4","0.5","","Jansen, M.; Kovalevskiy, A.","Synthesis and crystal structure analysis of K Ag11 (V O4)4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","413","436","10.1002/zaac.200500411","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509682","5.0488","","2.9149","","8.205","","90","","101.836","","90","","118.184","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ag2 Ni O2 -","- Ag2 Ni O2 -","- Ag4 Ni2 O4 -","2","0.25","","Wedig, U.; Nuss, J.; Modrow, H.; Adler, P.; Jansen, M.","Studies on the electronic structure of Ag2 Ni O2, an intercalated delafossite containing subvalent silver","Solid State Sciences","2006","8","","753","763","10.1016/j.solidstatesciences.2006.04.004","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509761","5.983","","6.3239","","9.5762","","90","","90","","90","","362.324","","","","","","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- Ag2 Bi O3 -","- Ag2 Bi O3 -","- Ag8 Bi4 O12 -","4","1","","Oberndorfer, C.P.M.; Dinnebier, R.E.; Ibberson, R.M.; Jansen, M.","Charge ordering in Ag2 Bi O3","Solid State Sciences","2006","8","","267","276","10.1016/j.solidstatesciences.2006.02.002","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509763","5.95492","","6.31001","","9.58082","","90","","92.4823","","90","","359.667","","","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- Ag2 Bi O3 -","- Ag2 Bi O3 -","- Ag8 Bi4 O12 -","4","2","","Dinnebier, R.E.; Jansen, M.; Ibberson, R.M.; Oberndorfer, C.P.M.","Charge ordering in Ag2 Bi O3","Solid State Sciences","2006","8","","267","276","10.1016/j.solidstatesciences.2006.02.002","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509923","5.9366","","5.9366","","32.1471","","90","","90","","120","","981.178","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ag5 (I O6)","","- Ag5 I O6 -","- Ag5 I O6 -","- Ag30 I6 O36 -","6","0.166667","","Jansen, M.; Kovalevskiy, A.","Synthesis, crystal structure determination, and physical properties of Ag5 I O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","577","581","10.1002/zaac.200500476","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510089","18.366","","5.411","","4.6503","","90","","90","","90","","462.139","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Au (P F3) Cl","","- Au Cl F3 P -","- Au Cl F3 P -","- Au4 Cl4 F12 P4 -","4","0.5","","Wagner, M.; Bolte, M.; Schoedel, F.; Lerner, H.-W.","Chlor(trifluorphosphane)gold(I): [Au (P F3) Cl]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","652","654","10.1002/zaac.200500453","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510146","7.496","","7.496","","7.315","","90","","90","","120","","355.962","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","K (Au F6)","","- Au F6 K -","- Au F6 K -","- Au3 F18 K3 -","3","0.0833333","","Mazej, Z.; Goreshnik, E.","X-ray single crystal structures of Cd (Au F6)2, Mg (H F) Au F4 Au F6 and K Au F6 and vibrational spectra of Cd (Au F6)2 and K Au F6","Solid State Sciences","2006","8","","671","677","10.1016/j.solidstatesciences.2006.02.032","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510228","6.5652","","6.5652","","6.5652","","90","","90","","90","","282.972","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Lu Au Sn","","- Au Lu Sn -","- Au Lu Sn -","- Au4 Lu4 Sn4 -","4","0.0416667","","Poettgen, R.; Rayaprol, S.; Sebastian, C.P.; Hoffmann, R.D.; Eckert, H.","Crystal chemistry and spectroscopic properties of Sc Au Sn, Y Au Sn, and Lu Au Sn","Solid State Sciences","2006","8","","560","566","10.1016/j.solidstatesciences.2006.01.005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510293","6.4194","","6.4194","","6.4194","","90","","90","","90","","264.535","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Sc Au Sn","","- Au Sc Sn -","- Au Sc Sn -","- Au4 Sc4 Sn4 -","4","0.0416667","","Rayaprol, S.; Sebastian, C.P.; Poettgen, R.; Hoffmann, R.D.; Eckert, H.","Crystal chemistry and spectroscopic properties of Sc Au Sn, Y Au Sn, and Lu Au Sn","Solid State Sciences","2006","8","","560","566","10.1016/j.solidstatesciences.2006.01.005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510305","4.6355","","4.6355","","7.3726","","90","","90","","120","","137.197","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Y Au Sn","","- Au Sn Y -","- Au Sn Y -","- Au2 Sn2 Y2 -","2","0.166667","","Eckert, H.; Sebastian, C.P.; Hoffmann, R.D.; Poettgen, R.; Rayaprol, S.","Crystal chemistry and spectroscopic properties of Sc Au Sn, Y Au Sn, and Lu Au Sn","Solid State Sciences","2006","8","","560","566","10.1016/j.solidstatesciences.2006.01.005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510372","11.167","","8.7666","","10.08","","90","","118.026","","90","","871.081","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cd (Au F6)2","","- Au2 Cd F12 -","- Au2 Cd F12 -","- Au8 Cd4 F48 -","4","0.5","","Mazej, Z.; Goreshnik, E.","X-ray single crystal structures of Cd (Au F6)2, Mg (H F) Au F4 Au F6 and K Au F6 and vibrational spectra of Cd (Au F6)2 and K Au F6","Solid State Sciences","2006","8","","671","677","10.1016/j.solidstatesciences.2006.02.032","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510924","4.2405","","11.712","","7.3113","","90","","91.15","","90","","363.041","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","La B3 O6","","- B3 La O6 -","- B3 La O6 -","- B12 La4 O24 -","4","1","","Heymann, G.; Soltner, T.; Huppertz, H.","delta-La (B O2)3 (= delta-La B3 O6): A new high-pressure modification of lanthanum meta-oxoborate","Solid State Sciences","2006","8","","821","829","10.1016/j.solidstatesciences.2006.03.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510981","8.77","","10.794","","10.791","","90","","95.94","","90","","1016.03","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ce6 (B O4)2 Ge9 O22","","- B2 Ce6 Ge9 O30 -","- B2 Ce6 Ge9 O30 -","- B4 Ce12 Ge18 O60 -","2","0.5","","Huppertz, H.; Heymann, G.","Multianvil high-pressure/high-temperature synthesis, crystal structure, and thermal behaviour of the rare-earth borogermanate Ce6 (B O4)2 Ge9 O22","Journal of Solid State Chemistry","2006","179","","370","377","10.1016/j.jssc.2005.10.028","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511247","5.32446","","9.22684","","6.06683","","90","","100.589","","90","","292.975","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na Sr B O3","","- B Na O3 Sr -","- B Na O3 Sr -","- B4 Na4 O12 Sr4 -","4","1","","Chen, X.L.; Wu, L.; Zhang, Y.; Kong, Y.F.; Xu, J.J.; Xu, Y.P.","AB initio structure determination of novel borate Na Sr B O3","Journal of Solid State Chemistry","2006","179","","1219","1224","10.1016/j.jssc.2006.01.003","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511389","10.9797","","6.1098","","8.3646","","90","","90","","90","","561.129","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mg B12 Si2","","- B12 Mg Si2 -","- B12 Mg Si2 -","- B48 Mg4 Si8 -","4","0.5","","Hillebrecht, H.; Ludwig, T.","Synthesis and crystal structure of Mg B12 Si2 - The first ternary compound in the system B/Mg/Si","Journal of Solid State Chemistry","2006","179","","1623","1629","10.1016/j.jssc.2006.02.013","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511489","9.59","","16.659","","22.919","","90","","90","","90","","3661.53","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ba5 (B O3)2 (B2 O5)","","- B4 Ba5 O11 -","- B4 Ba5 O11 -","- B48 Ba60 O132 -","12","3","","Maksimov, B.A.; Fedorov, P.P.; Molchanov, V.N.; Kononova, N.G.; Furmanova, N.G.; Kokh, A.E.","Crystal structure of the novel barium borate Ba5 (B O3)2 (B2 O5)","Kristallografiya","2006","51","","248","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511568","10.5167","","10.5167","","5.8146","","90","","90","","120","","556.941","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Y Ca3 (Ga O)3 (B O3)4","","- B4 Ca3 Ga3 O15 Y -","- B4 Ca3.005 Ga3 O15 Y0.995 -","- B8 Ca6.01 Ga6 O30 Y1.99 -","2","0.166667","","Yu, Y.; Li, R.K.; Wu, Q.S.","Structure of two new borates Y Ca3 (Al O)3 (B O3)4 and Y Ca3 (Ga O)3 (B O3)4","Journal of Solid State Chemistry","2006","179","","429","432","10.1016/j.jssc.2005.11.004","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511682","11.412","","11.412","","16.4131","","90","","90","","90","","2137.54","","","","","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","Li7.2 B7 Se15","","- B7 Li7.2 Se15 -","- B7 Li7.28 Se15 -","- B28 Li29.12 Se60 -","4","0.25","","Lindemann, A.; Doech, M.; Nilges, T.; Krebs, B.; Puetz, S.; Eckert, H.; Hammerschmidt, A.","Li7 B7 Se15: A novel selenoborate with a zeolite-like polymeric anion structure","Solid State Sciences","2006","8","","764","772","10.1016/j.solidstatesciences.2006.04.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512865","13.5841","0.0003","16.3528","0.0004","21.0204","0.0005","90","","106.354","0.002","90","","4480.51","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N4 O16 U2 -","- C40 H52 N4 O16 U2 -","- C160 H208 N16 O64 U8 -","4","1","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0773","0.0461","","","0.0823","0.09","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512866","11.5007","0.0002","8.2049","0.0001","21.5198","0.0005","90","","92.9907","0.0007","90","","2027.89","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 N2 O10 U -","- C40 H56 N2 O10 U -","- C80 H112 N4 O20 U2 -","2","0.5","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.061","0.0296","","","0.0498","0.0557","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512867","7.186","0.0002","13.5433","0.0005","14.3965","0.0005","92.854","0.002","94.564","0.002","92.227","0.002","1393.63","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H82 N4 O8 U -","- C56 H82 N4 O8 U -","- C56 H82 N4 O8 U -","1","0.5","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0306","0.0289","","","0.0566","0.0574","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512868","8.795","0.0001","20.8201","0.0004","10.9669","0.0002","90","","99.156","0.001","90","","1982.59","0.06","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C42 H56 N2 O8 U -","- C42 H56 N2 O8 U -","- C84 H112 N4 O16 U2 -","2","0.5","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0654","0.0312","","","0.0602","0.0675","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512869","14.8509","0.0003","10.9267","0.0004","16.7848","0.0007","90","","102.04","0.002","90","","2663.78","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H80 N2 O8 U -","- C26.97 H39.91 N O4 U0.5 -","- C107.88 H159.64 N4 O16 U2 -","4","1","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0651","0.0327","","","0.0648","0.0729","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513998","11.384","0.002","17.894","0.003","11.099","0.002","90","","97.291","0.014","90","","2242.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O2 -","- C29 H28 N2 O2 -","- C116 H112 N8 O8 -","4","1","","Jean-Ho Chu; Wan-Sheung Li; Ito Chao; Gene-Hsiang Lee; Wen-Sheng Chung","Regioselectivity in the 1,3-dipolar cycloaddition of adamantylidenefulvene and its modification by inclusion in cyclodextrins' solutions","Tetrahedron","2006","62","31","7380","7389","10.1016/j.tet.2006.05.021","","","0.71073","MoKα","","0.0685","0.0422","","0.1198","0.1113","","","","1.099","1.241","1.241","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514000","16.5261","0.0013","10.5956","0.0009","11.9249","0.0009","90","","92.796","0.002","90","","2085.6","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O -","- C26 H31 N O -","- C104 H124 N4 O4 -","4","1","","Jean-Ho Chu; Wan-Sheung Li; Ito Chao; Gene-Hsiang Lee; Wen-Sheng Chung","Regioselectivity in the 1,3-dipolar cycloaddition of adamantylidenefulvene and its modification by inclusion in cyclodextrins' solutions","Tetrahedron","2006","62","31","7380","7389","10.1016/j.tet.2006.05.021","","","0.71073","MoKα","","0.1227","0.0862","","","0.2179","0.2483","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514002","9.8122","0.0001","12.9988","0.0002","13.1727","0.0002","106.823","0.0009","101.908","0.0008","94.8232","0.0009","1554.97","0.04","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","2","","Annamalai Senthilvelan; Gene-Hsiang Lee; Wen-Sheng Chung","A novel photoinduced ring opening and isomerization of adamantane-2-spiro isoxazolines using Mo(CO)6","Tetrahedron Letters","2006","47","40","7179","7183","10.1016/j.tetlet.2006.07.156","","","0.71073","MoKα","","0.0879","0.0495","","","0.1329","0.1572","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514022","35.5191","0.0003","9.625","0.0001","19.8381","0.0002","90","","91.2989","0.0004","90","","6780.34","0.11","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.5 H40 N2 O7.5 -","- C40.5 H39.5 N2 O7.5 -","- C324 H316 N16 O60 -","8","1","","Ya-Jiun Shiao; Pei-Chen Chiang; Annamalai Senthilvelan; Ming-Tsung Tsai; Gene-Hsiang Lee; Wen-Sheng Chung","Capping the upper and lower rims of calix[4]arenes by aryl dinitrile oxide reactions","Tetrahedron Letters","2006","47","47","8383","8386","10.1016/j.tetlet.2006.09.070","","","0.71073","MoKα","","0.0977","0.0696","","","0.2036","0.2351","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514023","9.6377","0.0002","9.6377","0.0002","35.9818","0.0007","90","","90","","90","","3342.18","0.12","150","1","150","1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C42.25 H37 N2 O6.25 -","- C42.25 H37.02 N2 O6.25 -","- C169 H148.08 N8 O25 -","4","0.5","","Ya-Jiun Shiao; Pei-Chen Chiang; Annamalai Senthilvelan; Ming-Tsung Tsai; Gene-Hsiang Lee; Wen-Sheng Chung","Capping the upper and lower rims of calix[4]arenes by aryl dinitrile oxide reactions","Tetrahedron Letters","2006","47","47","8383","8386","10.1016/j.tetlet.2006.09.070","","","0.71073","MoKα","","0.0563","0.0515","","","0.1355","0.1389","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514024","11.9873","0.0004","35.0966","0.0016","8.9562","0.0005","90","","97.735","0.002","90","","3733.7","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 Cl3 N2 O7 -","- C44 H37 Cl3 N2 O7 -","- C176 H148 Cl12 N8 O28 -","4","1","","Ya-Jiun Shiao; Pei-Chen Chiang; Annamalai Senthilvelan; Ming-Tsung Tsai; Gene-Hsiang Lee; Wen-Sheng Chung","Capping the upper and lower rims of calix[4]arenes by aryl dinitrile oxide reactions","Tetrahedron Letters","2006","47","47","8383","8386","10.1016/j.tetlet.2006.09.070","","","0.71073","MoKα","","0.1163","0.0738","","","0.1688","0.1948","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514028","4.5757","0.0004","2.8058","0.0002","5.749","0.0006","90","","90","","90","","73.809","0.011","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium Manganate(III) - O","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Idemoto, Y.; Mochizuki, T.; Ui, K.; Koura, N.","Properties, crystal structure and performance of o-(Li Mn O2) as cathode material for Li secondary batteries","Journal of the Electrochemical Society","2006","153","2","A418","A424","10.1149/1.2142293","","","","","","0.0482","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514029","8.24726","0.0001","8.24726","0.0001","8.24726","0.0001","90","","90","","90","","560.956","0.012","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Wende, C.; Olimov, Kh.; Modrow, H.; Wagner, F. E.; Langbein, H.","Cation distribution, structure and magnetic properties of lithium manganese iron oxide spinel solid solutions","Materials Research Bulletin","2006","41","","1530","1542","10.1016/j.materresbull.2006.01.016","","","","","","0.0411","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514030","8.243","0.001","8.243","0.001","8.243","0.001","90","","90","","90","","560.09","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.94/2.03/4)","","- Li0.94 Mn2.034 O4 -","- Li0.94 Mn2.034 O4 -","- Li7.52 Mn16.272 O32 -","8","0.0416667","","Krins, N.; Hatert, F.; Traina, K.; Dusoulier, L.; Molenberg, I.; Fagnard, J. F.; Vanderbemden, P.; Rulmont, A.; Cloots, R.; Vertruyen, B.","Li Mn2-x Tix O4 spinel-type compounds (x <= 1): structural, electrical and magnetic properties","Solid State Ionics","2006","177","","1033","1040","10.1016/j.ssi.2006.04.001","","","","","","0.0161","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514031","8.2401","0.0009","8.2401","0.0009","8.2401","0.0009","90","","90","","90","","559.5","0.11","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.1/1.9/4)","","- Li1.104 Mn1.896 O4 -","- Li1.104 Mn1.896 O4 -","- Li8.832 Mn15.168 O32 -","8","0.0416667","","Takahashi, Y.; Kijima, N.; Akimoto, J.","Crystal growth and structural properties of the spinel-type Li1+x Mn2- x O4 (x = 0.10, 0.14)","Solid State Ionics","2006","177","","691","695","10.1016/j.ssi.2005.12.025","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514032","8.2273","0.001","8.2273","0.001","8.2273","0.001","90","","90","","90","","556.89","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.14/1.86/4)","","- Li1.144 Mn1.856 O4 -","- Li1.144 Mn1.856 O4 -","- Li9.152 Mn14.848 O32 -","8","0.0416667","","Takahashi, Y.; Kijima, N.; Akimoto, J.","Crystal growth and structural properties of the spinel-type Li1+x Mn2- x O4 (x = 0.10, 0.14)","Solid State Ionics","2006","177","","691","695","10.1016/j.ssi.2005.12.025","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514033","8.24509","0.00015","8.24509","0.00015","8.24509","0.00015","90","","90","","90","","560.514","0.018","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Songtao, Huang; Song, Cao; Su-Rong, Kan; Maoyou, Chu; Shigang, Lu; Jianyun, Shen","Structural and electrochemical properties of Li(+) and Co(3+)-codoped Li Mn2 O4","Xiyou Jinshu","2006","30","2","129","133","","","","","","","0.0664","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1516177","26.01","0.002","8.1572","0.0006","28.795","0.002","90","","113.518","0.004","90","","5601.9","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","beta-oCA","tetrachloro-o-benzoquinone, beta form","","- C6 Cl4 O2 -","- C6 Cl4 O2 -","- C168 Cl112 O56 -","28","7","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.1128","0.0596","","","0.1561","0.1888","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516178","6.0592","0.0004","16.3472","0.0011","8.1183","0.0006","90","","94.249","0.001","90","","801.92","0.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","tetrachloro-o-benzoquinone","","- C6 Cl4 O2 -","- C6 Cl4 O2 -","- C24 Cl16 O8 -","4","1","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0434","0.0393","","","0.1017","0.1057","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516179","9.1022","0.0005","13.8161","0.0008","13.3595","0.0008","90","","100.202","0.001","90","","1653.49","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","durene tetrachloro-o-benzoquinnone","","- C16 H14 Cl4 O2 -","- C16 H14 Cl4 O2 -","- C64 H56 Cl16 O8 -","4","1","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0392","0.0362","","","0.0947","0.097","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516180","8.3157","0.0004","38.967","0.0018","14.2436","0.0006","90","","91.718","0.001","90","","4613.4","0.4","123","2","123","2","","","","","","","","4","P 1 c 1","P -2yc","7","","pyrene tetrachloro-o-benzoquinnone","","- C60 H30 Cl8 O4 -","- C60 H30 Cl8 O4 -","- C240 H120 Cl32 O16 -","4","2","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0543","0.0478","","","0.1074","0.1109","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516181","17","0.005","13.405","0.004","17.205","0.005","90","","97.907","0.01","90","","3883","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5',6',7',8'-Tetrachlorodispiro(1,3-dithiole-2,2'-(1,4)benzodioxine-3',2''-(1,3 )dithiole) dichloromethane solvate","","- C13 H6 Cl6 O2 S4 -","- C13 H6 Cl6 O2 S4 -","- C104 H48 Cl48 O16 S32 -","8","2","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.1004","0.0564","","","0.1074","0.1221","","","","","","0.836","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516182","7.17","0.003","16.961","0.006","12.731","0.005","90","","97.176","0.007","90","","1536.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrathiafulvalene tetrachloro-o-benzoquinnone","","- C12 H4 Cl4 O2 S4 -","- C12 H4 Cl4 O2 S4 -","- C48 H16 Cl16 O8 S16 -","4","1","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.095","0.0485","","","0.09","0.1003","","","","","","0.773","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516183","10.587","0.005","11.677","0.005","12.74","0.006","63.152","0.007","67.095","0.008","68.555","0.008","1259.4","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrathiafulvalenium Dodecamethylcarba-closo-dodecaboranate diethylether disolvate","","- C35 H80 B11 O4 S4 -","- C35 H80 B11 O4 S4 -","- C35 H80 B11 O4 S4 -","1","0.5","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0628","0.0485","","","0.1363","0.1444","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516184","9.1393","0.0008","13.3909","0.0013","12.5744","0.001","90","","109.609","0.005","90","","1449.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TTf+ Car-","Tetrathiafulvalenium Dodecamethylcarba-closo-dodecaboranate","","- C19 H40 B11 S4 -","- C19 H40 B11 S4 -","- C38 H80 B22 S8 -","2","0.5","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0514","0.0454","","","0.1292","0.1319","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516185","12.4283","0.0009","12.4686","0.0008","12.8462","0.0009","85.951","0.002","88.997","0.001","78.875","0.001","1948.4","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C92 H88 O20 -","4","2","","Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A","Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","5","449","451","10.1039/b603909j","","","0.71073","MoKα","","0.0907","0.0444","","","0.1033","0.1284","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516186","25.049","0.003","11.3809","0.0012","14.7771","0.0015","90","","117.603","0.002","90","","3733.2","0.7","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C176 H176 O32 -","8","1","","Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A","Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","5","449","451","10.1039/b603909j","","","0.71073","MoKα","","0.0817","0.0493","","","0.1376","0.1607","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516187","14.8162","0.0012","14.8987","0.0012","8.3482","0.0007","90","","90.134","0.002","90","","1842.8","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A","Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","5","449","451","10.1039/b603909j","","","0.71073","MoKα","","0.1383","0.0521","","","0.1212","0.1538","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516731","11.247","0.002","15.014","0.002","25.636","0.005","90","","102.346","0.008","90","","4228.8","1.3","293","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H15 Cr O5 P -","- C23 H15 Cr O5 P -","- C184 H120 Cr8 O40 P8 -","8","1","","Ndiaye, Bassirou; Bhat, Shrinivasa; Jouaiti, Abdelaziz; Berclaz, Théo; Bernardinelli, Gérald; Geoffroy, Michel","EPR and DFT studies of the structure of phosphinyl radicals complexed by a pentacarbonyl transition metal.","The journal of physical chemistry. A","2006","110","31","9736","9742","10.1021/jp061960w","","","0.71073","MoKα","","","0.041","","","","0.038","","","","","","1.46","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516732","13.2726","0.0009","15.6622","0.0009","8.6557","0.0006","90","","106.297","0.011","90","","1727","0.2","200","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Cr O5 P -","- C17 H11 Cr O5 P -","- C68 H44 Cr4 O20 P4 -","4","1","","Ndiaye, Bassirou; Bhat, Shrinivasa; Jouaiti, Abdelaziz; Berclaz, Théo; Bernardinelli, Gérald; Geoffroy, Michel","EPR and DFT studies of the structure of phosphinyl radicals complexed by a pentacarbonyl transition metal.","The journal of physical chemistry. A","2006","110","31","9736","9742","10.1021/jp061960w","","","0.71073","MoKα","","","0.035","","","","0.038","","","","","","1.34","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516733","13.352","0.003","15.931","0.003","8.707","0.001","90","","105.98","0.01","90","","1780.5","0.6","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 O5 P W -","- C17 H11 O5 P W -","- C68 H44 O20 P4 W4 -","4","1","","Ndiaye, Bassirou; Bhat, Shrinivasa; Jouaiti, Abdelaziz; Berclaz, Théo; Bernardinelli, Gérald; Geoffroy, Michel","EPR and DFT studies of the structure of phosphinyl radicals complexed by a pentacarbonyl transition metal.","The journal of physical chemistry. A","2006","110","31","9736","9742","10.1021/jp061960w","","","0.71073","MoKα","","","0.031","","","","0.02","","","","","","1.78","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516734","18.071","0.004","15.375","0.003","15.554","0.003","104.07","0.03","113.02","0.03","98.53","0.03","3711.9","1.9","270","2","271","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O100 -","- C108 H88 N2 O98.27 -","- C108 H88 N2 O98.27 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.5608","AgKα","","0.101","0.0896","","","0.236","0.2514","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516735","18.025","0.004","15.364","0.003","15.541","0.003","103.83","0.03","113.06","0.03","98.61","0.03","3699.8","1.9","265","2","265","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O97 -","- C106.2 H96 N1.85 O94.12 -","- C106.2 H96 N1.85 O94.12 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.71073","MoKα","","0.1031","0.0991","","","0.2473","0.2524","","","","","","1.19","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516736","17.97","0.004","15.393","0.003","15.514","0.003","103.18","0.03","113.22","0.03","98.91","0.03","3693.4","1.9","260","2","260","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O99 -","- C98.652 H98 N1.221 O95.153 -","- C98.652 H98 N1.221 O95.153 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.71073","MoKα","","0.0951","0.0925","","","0.2223","0.2263","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516737","17.915","0.002","15.405","0.003","15.542","0.002","103.04","0.01","113.35","0.01","99.15","0.01","3685.5","1.1","220","2","220","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O102 -","- C108 H98 N2 O101 -","- C108 H98 N2 O101 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.71073","MoKα","","0.1064","0.0832","","","0.22","0.2503","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516738","17.896","0.002","15.389","0.003","15.519","0.002","103.01","0.01","113.43","0.01","99.07","0.01","3672","1.1","220","2","220","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H170 N2 O100 -","- C105.2 H103 N1.85 O99.74 -","- C105.2 H103 N1.85 O99.74 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.71073","MoKα","","0.0826","0.0741","","","0.2002","0.2143","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516739","17.78","0.06","15.31","0.06","15.35","0.06","102.76","0.06","113.31","0.06","99.24","0.06","3596","2","20","2","20","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe-methylester/Beta-Cyclodextrin","","","- C108 H154 N2 O101 -","- C104 H103 N1.75 O100.336 -","- C104 H103 N1.75 O100.336 -","1","1","","Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L.","Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study.","The journal of physical chemistry. B","2006","110","51","26375","26387","10.1021/jp0652244","","","0.5608","AgKα","","0.0934","0.0859","","","0.2206","0.2304","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516741","11.2885","0.0005","14.123","0.0006","17.4374","0.0007","90","","90","","90","","2780","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 O3 S2 -","- C17 H12 O3 S2 -","- C136 H96 O24 S16 -","8","1","","Sugiyasu, Kazunori; Song, Changsik; Swager, Timothy M.","Aromaticity in Tropone-Containing Polythiophene","Macromolecules","2006","39","17","5598","","10.1021/ma061423+","","","0.71073","MoKα","","0.0332","0.0312","","","0.0841","0.0861","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516742","38.884","0.007","8.6698","0.0017","7.8123","0.0014","90","","92.945","0.015","90","","2630.2","0.8","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H33 F O8 -","- C27 H33 F O8 -","- C108 H132 F4 O32 -","4","1","","Morton, Gillian E.; Barrett, Anthony G. M.","Iterative benzyne-furan cycloaddition reactions: studies toward the total synthesis of ent-Sch 47554 and ent-Sch 47555.","Organic letters","2006","8","13","2859","2861","10.1021/ol061007+","","","1.54248","CuKα","","0.086","0.0521","","","0.1231","0.1451","","","","","","0.932","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516743","10.6365","0.0012","16.1655","0.0019","18.138","0.002","90","","90","","90","","3118.7","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H36 N3 O P -","- C39 H36 N3 O P -","- C156 H144 N12 O4 P4 -","4","1","","Fekner, Tomasz; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis and application of quinazoline-oxazoline-containing (quinazox) ligands.","Organic letters","2006","8","22","5109","5112","10.1021/ol062023+","","","0.71073","MoKα","","0.0403","0.0378","","","0.0908","0.0924","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516744","10.9951","0.0015","16.296","0.002","18.095","0.003","90","","90","","90","","3242.2","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 N3 O P -","- C40 H38 N3 O P -","- C160 H152 N12 O4 P4 -","4","1","","Fekner, Tomasz; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis and application of quinazoline-oxazoline-containing (quinazox) ligands.","Organic letters","2006","8","22","5109","5112","10.1021/ol062023+","","","0.71073","MoKα","","0.0331","0.031","","","0.0752","0.0767","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516745","19.596","0.002","7.5959","0.0009","12.4831","0.0014","90","","107.84","0.002","90","","1768.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 O2 Si2 -","- C38 H42 O2 Si2 -","- C76 H84 O4 Si4 -","2","0.5","","Liu, Yuanhong; Gao, Hongjun","New zirconium-mediated approach toward regio- and stereocontrolled synthesis of trans-enediynes.","Organic letters","2006","8","2","309","311","10.1021/ol052706+","","","0.71073","MoKα","","0.0748","0.047","","","0.104","0.112","","","","","","0.888","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516746","14.8638","0.0006","15.4624","0.0006","16.3768","0.0006","90","","90","","90","","3763.9","0.3","277.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 B N O3 -","- C24 H18 B N O3 -","- C192 H144 B8 N8 O24 -","8","1","","Yasuda, Makoto; Yoshioka, Sachiko; Yamasaki, Satoshi; Somyo, Toshio; Chiba, Kouji; Baba, Akio","Cage-shaped borate esters with enhanced Lewis acidity and catalytic activity.","Organic letters","2006","8","4","761","764","10.1021/ol053026+","","","0.7107","MoKα","","","0.0677","","","","0.1602","","","","","","0.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516747","13.574","0.004","4.9473","0.0013","36.772","0.01","90","","96.297","0.003","90","","2454.5","1.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C3 H8 N6 -","- C3 H8 N6 -","- C48 H128 N96 -","16","2","","Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno","Unusually weak binding interactions in tetrazole-amidine complexes.","Organic letters","2006","8","7","1279","1282","10.1021/ol053072+","","","0.71073","MoKα","","0.0681","0.054","","","0.1287","0.1333","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516748","7.2044","0.001","8.5549","0.0014","15.472","0.003","90","","99.564","0.007","90","","940.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N6 -","- C8 H10 N6 -","- C32 H40 N24 -","4","1","","Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno","Unusually weak binding interactions in tetrazole-amidine complexes.","Organic letters","2006","8","7","1279","1282","10.1021/ol053072+","","","0.71073","MoKα","","0.0428","0.0354","","","0.1007","0.1051","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516749","6.4456","0.0009","6.4456","0.0009","12.53","0.003","90","","90","","90","","520.57","0.16","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C3 H8 N2 O2 -","- C3 H8 N2 O2 -","- C12 H32 N8 O8 -","4","0.5","","Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno","Unusually weak binding interactions in tetrazole-amidine complexes.","Organic letters","2006","8","7","1279","1282","10.1021/ol053072+","","","0.71073","MoKα","","0.0435","0.0335","","","0.0784","0.0796","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516751","15.037","0.009","18.91","0.01","19.84","0.01","81.38","0.06","87.14","0.06","66.8","0.05","5126","5","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C107 H47 Cl4 F40 N9 O -","- C107 H47 Cl4 F40 N9 O -","- C214 H94 Cl8 F80 N18 O2 -","2","1","","Hata, Hiroshi; Kamimura, Yiho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of pyrrolidine-fused [34]- and [36]octaphyrins via 1,3-dipolar cycloaddition.","Organic letters","2006","8","6","1169","1172","10.1021/ol060067c","","","0.7107","MoKα","","","0.098","","","","0.139","","","","","","1.272","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516752","7.773","0.002","6.401","0.002","8.075","0.003","90","","103.792","0.005","90","","390.2","0.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H12 O2 -","- C8 H12 O2 -","- C16 H24 O4 -","2","1","","Hong, Bor-Cherng; Wu, Ming-Fun; Tseng, Hsing-Chang; Liao, Ju-Hsiou","Enantioselective organocatalytic formal [3 + 3]-cycloaddition of alpha,beta-unsaturated aldehydes and application to the asymmetric synthesis of (-)-isopulegol hydrate and (-)-cubebaol.","Organic letters","2006","8","11","2217","2220","10.1021/ol060486+","","","0.71073","MoKα","","0.0561","0.0518","","","0.1301","0.1334","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516753","7.6565","0.0005","16.5845","0.0011","27.3457","0.0018","90","","90","","90","","3472.3","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H59 N O2 Si2 -","- C35 H59 N O2 Si2 -","- C140 H236 N4 O8 Si8 -","4","1","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. The total synthesis of (+)-nodulisporic acid F.","Organic letters","2006","8","8","1665","1668","10.1021/ol060290+","","","0.71069","MoKα","","0.0553","0.0498","","","0.1074","0.111","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516755","15.255","0.003","10.757","0.003","9.418","0.002","90","","101.43","0.02","90","","1514.8","0.6","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 Si -","- C29 H45 N O4 Si -","- C58 H90 N2 O8 Si2 -","2","1","","Kobayashi, Toyoharu; Hasegawa, Futoshi; Tanaka, Katsunori; Katsumura, Shigeo","Synthesis of 2,4,6-trisubstituted chiral piperidines and (-)-dendroprimine by one-pot asymmetric azaelectrocyclization protocol.","Organic letters","2006","8","17","3813","3816","10.1021/ol0614065","","","1.54178","CuKα","","0.147","0.143","","0.273","0.273","0.273","","","27.826","10.58","10.58","10.58","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516757","6.4053","0.0016","15.414","0.004","14.888","0.004","90","","101.497","0.005","90","","1440.4","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O2 S -","- C15 H20 O2 S -","- C60 H80 O8 S4 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0508","0.0459","","","0.1262","0.1301","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516758","10.4287","0.0019","9.2211","0.0017","15.589","0.003","90","","95.126","0.004","90","","1493.1","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H34 O3 S -","- C35 H34 O3 S -","- C70 H68 O6 S2 -","2","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0499","0.0446","","","0.109","0.1117","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516759","6.248","0.002","16.63","0.005","13.443","0.004","90","","103.304","0.006","90","","1359.3","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C56 H72 O8 S4 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0609","0.0452","","","0.1146","0.1218","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516760","7.4039","0.0018","12.927","0.003","24.736","0.006","90","","90","","90","","2367.5","1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Br O2 S -","- C11 H11 Br O2 S -","- C88 H88 Br8 O16 S8 -","8","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0969","0.0733","","","0.2317","0.2426","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516761","10.1655","0.0018","11.398","0.002","15.36","0.003","90","","102.624","0.003","90","","1736.7","0.6","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 S2 -","- C18 H18 O4 S2 -","- C72 H72 O16 S8 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.1202","0.0979","","","0.2205","0.2343","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516762","4.9466","0.0007","9.9378","0.0015","12.6847","0.0019","105.346","0.003","96.246","0.003","102.488","0.003","577.9","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Br O2 S -","- C11 H11 Br O2 S -","- C22 H22 Br2 O4 S2 -","2","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0562","0.0478","","","0.1169","0.1203","","","","","","0.882","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516763","11.05","0.004","6.388","0.002","16.42","0.006","90","","93.997","0.008","90","","1156.2","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C48 H44 N4 O8 S4 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.1017","0.0478","","","0.0858","0.0976","","","","","","0.835","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519765","9.2767","0.0011","10.467","0.002","15.0969","0.0013","79.283","0.013","84.701","0.008","65.476","0.016","1310.2","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H48 N8 Ni O4 P2 S4 -","- C56 H48 N8 Ni O4 P2 S4 -","- C56 H48 N8 Ni O4 P2 S4 -","1","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C56H48N8Ni1O4P2S4","Crystal Structure Report Archive","2006","","","243","","","","","0.71073","MoKα","","0.0573","0.0416","","","0.0918","0.0991","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519766","11.9856","0.0009","17.7146","0.0011","15.2383","0.0005","90","","101.808","0.004","90","","3166.9","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cd N2 O4 P2 S4 -","- C28 H30 Cd N2 O4 P2 S4 -","- C112 H120 Cd4 N8 O16 P8 S16 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C28H30Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","245","","","","","0.71073","MoKα","","0.0399","0.0273","","","0.0586","0.0637","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519767","12.1056","0.0006","17.5149","0.0011","15.3373","0.0012","90","","99.041","0.006","90","","3211.5","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Cd N2 O4 P2 S4 -","- C28 H32 Cd N2 O4 P2 S4 -","- C112 H128 Cd4 N8 O16 P8 S16 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C28H32Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","246","","","","","0.71073","MoKα","","0.0375","0.0281","","","0.0607","0.0647","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519768","10.3791","0.0006","17.5735","0.0008","8.103","0.0003","90","","100.512","0.003","90","","1453.16","0.12","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cd N2 O4 P2 S4 -","- C26 H28 Cd N2 O4 P2 S4 -","- C52 H56 Cd2 N4 O8 P4 S8 -","2","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C26H28Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","247","","","","","0.71073","MoKα","","0.0291","0.0236","","","0.0543","0.0572","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519769","10.7073","0.0004","16.3214","0.0004","19.5513","0.0006","90","","91.799","0.002","90","","3415.06","0.19","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cd N2 O4 P2 S4 -","- C29 H34 Cd N2 O4 P2 S4 -","- C116 H136 Cd4 N8 O16 P8 S16 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C29H34Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","248","","","","","0.71073","MoKα","","0.0461","0.0311","","","0.0663","0.0727","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519770","15.2643","0.0004","14.7356","0.0003","10.5323","0.0002","90","","94.988","0.001","90","","2360.04","0.09","150","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Hg2 O8 P4 S8 -","- C36 H48 Hg2 O8 P4 S8 -","- C72 H96 Hg4 O16 P8 S16 -","2","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C36H48Hg2O8P4S8","Crystal Structure Report Archive","2006","","","249","","","","","0.71073","MoKα","","0.0253","0.0211","","","0.0458","0.0472","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519771","15.2671","0.0003","14.7379","0.0002","10.5379","0.0003","90","","95.004","0.001","90","","2362.04","0.09","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Hg2 O8 P4 S8 -","- C36 H48 Hg2 O8 P4 S8 -","- C72 H96 Hg4 O16 P8 S16 -","2","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C36H48Hg2O8P4S8","Crystal Structure Report Archive","2006","","","250","","","","","0.71073","MoKα","","0.0231","0.0207","","","0.0437","0.0446","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519772","8.156","0.002","14.103","0.004","16.38","0.006","90.94","0.02","99.31","0.02","100.91","0.02","1823.5","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Br8 I5 N6 -","- C18 H15 Br8 I5 N6 -","- C36 H30 Br16 I10 N12 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C18H15Br8I5N6","Crystal Structure Report Archive","2006","","","254","","","","","0.71073","MoKα","","0.1154","0.0517","","","0.1027","0.1239","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519773","10.9213","0.0008","11.8985","0.0007","14.892","0.0011","90","","90","","90","","1935.2","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br2 I N6 -","- C18 H12.99 Br2 I N6 -","- C72 H51.96 Br8 I4 N24 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C18H13Br2I1N6","Crystal Structure Report Archive","2006","","","255","","","","","0.71073","MoKα","","0.0498","0.0441","","","0.1264","0.1303","","","","","","1.102","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519774","19.6222","0.0011","7.8609","0.0003","21.3982","0.0011","90","","90","","90","","3300.6","0.3","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H40 B4 Fe2 O8 -","- C36 H40 B4 Fe2 O8 -","- C144 H160 B16 Fe8 O32 -","4","0.5","","Aldridge, Simon; Male, Louise; Hursthouse, Michael B.","C36H40B4Fe2O8","Crystal Structure Report Archive","2006","","","329","","","","","0.71073","MoKα","","0.1451","0.0905","","","0.1459","0.1676","","","","","","1.219","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519775","42.3472","0.001","9.8258","0.0003","17.1627","0.0003","90","","99.789","0.001","90","","7037.3","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Cl2 P2 Pd2 S2 -","- C32 H36 Cl2 P2 Pd2 S2 -","- C256 H288 Cl16 P16 Pd16 S16 -","8","1","","Dervisi, Athanasia; Horton, Peter N.; Hursthouse, Michael B.","C32H36Cl2P2Pd2S2","Crystal Structure Report Archive","2006","","","1058","","","","","0.71073","MoKα","","0.0533","0.0378","","","0.0858","0.0913","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519776","24.595","0.002","24.595","0.002","48.278","0.006","90","","90","","120","","25291","4","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C144 H96 B3 F78 Fe4 Ga4 O8 -","- C143.88 H95.85 B3 F78 Fe3.99 Ga4 O7.98 -","- C863.28 H575.1 B18 F468 Fe23.94 Ga24 O47.88 -","6","0.333333","","Aldridge, Simon; Horton, Peter N.; Hursthouse, Michael B.","C144H96B3F78Fe4Ga4O8","Crystal Structure Report Archive","2006","","","1180","","","","","0.71073","MoKα","","0.1306","0.0974","","","0.2097","0.227","","","","","","1.141","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519777","8.8804","0.0002","14.1275","0.0004","14.1255","0.0003","91.749","0.002","107.376","0.002","107.382","0.001","1600.04","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 N3 Ni O5 P2 S4 -","- C28 H33 N3 Ni O5 P2 S4 -","- C56 H66 N6 Ni2 O10 P4 S8 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C28H33N3Ni1O5P2S4","Crystal Structure Report Archive","2006","","","229","","","","","0.71073","MoKα","","0.0756","0.0419","","","0.0895","0.1031","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519778","9.1961","0.0003","10.5439","0.0004","12.5033","0.0004","113.948","0.002","98.202","0.002","95.732","0.002","1079.84","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H22 Fe0.5 N Ni0.5 O2 P S2 -","- C21 H22 Fe0.5 N Ni0.5 O2 P S2 -","- C42 H44 Fe N2 Ni O4 P2 S4 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C21H22Fe0.5N1Ni0.5O2P1S2","Crystal Structure Report Archive","2006","","","231","","","","","0.71073","MoKα","","0.0734","0.0421","","","0.0849","0.0955","","","","","","1.05","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519779","12.113","0.005","16.307","0.006","19.257","0.008","90","","90","","90","","3804","3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52 N Ni S4 -","- C40 H52 N Ni S4 -","- C160 H208 N4 Ni4 S16 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Male, Louise; Harrington, Ross; Clegg, Bill; Huth, Susanne L.; Hursthouse, Michael B.","C40H52N1Ni1S4","Crystal Structure Report Archive","2006","","","232","","","","","0.6905","synchrotron","","0.0679","0.0529","","","0.122","0.1317","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519780","9.1961","0.0003","10.5439","0.0004","12.5033","0.0004","113.948","0.002","98.202","0.002","95.732","0.002","1079.84","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H22 Fe0.5 N Ni0.5 O2 P S2 -","- C21 H22 Fe0.5 N Ni0.5 O2 P S2 -","- C42 H44 Fe N2 Ni O4 P2 S4 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C21H22Fe0.5N1Ni0.5O2P1S2","Crystal Structure Report Archive","2006","","","233","","","","","0.71073","MoKα","","0.0734","0.0421","","","0.0849","0.0955","","","","","","1.05","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519781","7.0558","0.0003","13.6319","0.0003","14.1191","0.0005","106.205","0.002","95.292","0.002","104.352","0.002","1244.22","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 Br7 N2 -","- C20 H13 Br7 N2 -","- C40 H26 Br14 N4 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C20H13Br7N2","Crystal Structure Report Archive","2006","","","234","","","","","0.71073","MoKα","","0.071","0.0402","","","0.0795","0.0895","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519782","8.18","0.0002","9.8839","0.0002","10.4172","0.0002","90.737","0.001","101.898","0.001","100.785","0.001","808.42","0.03","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Cd N2 O4 P2 S4 -","- C28 H32 Cd N2 O4 P2 S4 -","- C28 H32 Cd N2 O4 P2 S4 -","1","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C28H32Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","235","","","","","0.71073","MoKα","","0.0313","0.0298","","","0.0748","0.0759","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519783","11.3361","0.0002","11.3717","0.0003","8.3386","0.0002","90","","90","","90","","1074.93","0.04","120","2","120","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C14 H20 Co N2 O4 P2 S4 -","- C14 H20 Co N2 O4 P2 S4 -","- C28 H40 Co2 N4 O8 P4 S8 -","2","0.25","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C14H20Co1N2O4P2S4","Crystal Structure Report Archive","2006","","","237","","","","","0.71073","MoKα","","0.0206","0.0197","","","0.0575","0.0584","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519784","11.9835","0.0003","17.4682","0.0003","15.301","0.0004","90","","98.856","0.001","90","","3164.78","0.13","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 N2 O4 P2 S4 Zn -","- C28 H32 N2 O4 P2 S4 Zn -","- C112 H128 N8 O16 P8 S16 Zn4 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C28H32N2O4P2S4Zn","Crystal Structure Report Archive","2006","","","238","","","","","0.71073","MoKα","","0.0545","0.0376","","","0.0756","0.0829","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519785","10.2973","0.0008","29.825","0.005","9.3067","0.0011","90","","90.417","0.01","90","","2858.2","0.6","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C56 H60 Cl2 N8 Ni Pt2 -","- C56 H60 Cl2 N8 Ni Pt2 -","- C112 H120 Cl4 N16 Ni2 Pt4 -","2","0.25","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C56H60Cl2N8Ni1Pt2","Crystal Structure Report Archive","2006","","","241","","","","","0.71073","MoKα","","0.0295","0.0269","","","0.0666","0.0675","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519786","25.0178","0.001","8.8338","0.0002","16.5583","0.0006","90","","97.264","0.002","90","","3630.1","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 I2 N8 Ni -","- C40 H28 I2 N8 Ni -","- C160 H112 I8 N32 Ni4 -","4","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C40H28I2N8Ni1","Crystal Structure Report Archive","2006","","","242","","","","","0.71073","MoKα","","0.0508","0.0416","","","0.104","0.1101","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528283","5.6833","","5.6833","","9.3556","","90","","90","","120","","261.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Mn O2.59 -","- Ba Mn O2.5965 -","- Ba4 Mn4 O10.386 -","4","0.166667","","Adkin, J.J.; Hayward, M.A.","Structure and magnetism of 4H-Ba Mn O(3-x) (0<= x<= 0.35) and 4H-Ba(0.5) Sr(0.5) Mn O(3-x) (0<= x<= 0.21)","Journal of Solid State Chemistry","2006","179","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528284","5.6376","","5.6376","","9.2241","","90","","90","","120","","253.889","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Mn O2.95 -","- Ba Mn O2.9505 -","- Ba4 Mn4 O11.802 -","4","0.166667","","Adkin, J.J.; Hayward, M.A.","Structure and magnetism of 4H-Ba Mn O(3-x) (0<= x<= 0.35) and 4H-Ba(0.5) Sr(0.5) Mn O(3-x) (0<= x<= 0.21)","Journal of Solid State Chemistry","2006","179","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528285","5.58539","","5.58539","","9.2123","","90","","90","","120","","248.889","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba0.5 Sr0.5 Mn O2.77","","- Ba0.5 Mn O2.77 Sr0.5 -","- Ba0.5 Mn O2.778 Sr0.5 -","- Ba2 Mn4 O11.112 Sr2 -","4","0.166667","","Adkin, J.J.; Hayward, M.A.","Structure and magnetism of 4H-Ba Mn O(3-x) (0 <= x <= 0.35) and 4H-Ba0.5 Sr0.5 Mn O(3-x) (0 <= x <= 0.21)","Journal of Solid State Chemistry","2006","179","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528286","5.5528","","5.5528","","9.1471","","90","","90","","120","","244.252","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Ba0.5 Sr0.5) Mn O2.96","","- Ba0.5 Mn O2.96 Sr0.5 -","- Ba0.5 Mn O2.967 Sr0.5 -","- Ba2 Mn4 O11.868 Sr2 -","4","0.166667","","Adkin, J.J.; Hayward, M.A.","Structure and magnetism of 4H-Ba Mn O(3-x) (0<= x<= 0.35) and 4H-Ba(0.5) Sr(0.5) Mn O(3-x) (0<= x<= 0.21)","Journal of Solid State Chemistry","2006","179","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528287","5.62732","","5.62732","","9.208","","90","","90","","120","","252.522","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Mn O2.958 -","- Ba Mn O2.958 -","- Ba4 Mn4 O11.832 -","4","0.166667","","Adkin, J.J.; Hayward, M.A.","Structure and magnetism of 4H-Ba Mn O(3-x) (0<= x<= 0.35) and 4H-Ba(0.5) Sr(0.5) Mn O(3-x) (0<= x<= 0.21)","Journal of Solid State Chemistry","2006","179","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528288","5.539","","5.539","","9.1236","","90","","90","","120","","242.415","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba0.5 Sr0.5 Mn O2.991","","- Ba0.5 Mn O2.991 Sr0.5 -","- Ba0.5 Mn O2.991 Sr0.5 -","- Ba2 Mn4 O11.964 Sr2 -","4","0.166667","","Adkin, J.J.; Hayward, M.A.","Structure and magnetism of 4H-Ba Mn O(3-x) (0 <= x <= 0.35) and 4H-Ba0.5 Sr0.5 Mn O(3-x) (0 <= x <= 0.21)","Journal of Solid State Chemistry","2006","179","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528293","8.9055","","11.0825","","2.8524","","90","","90","","90","","281.518","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Na Mn2 O4","","- Mn2 Na O4 -","- Mn2 Na O4 -","- Mn8 Na4 O16 -","4","0.5","","Akimoto, J.; Tokiwa, K.; Awaka, J.; Kijima, K.; Takahashi, Y.; Watanabe, T.; Maruta, Y.","High pressure synthesis and crystal structure analysis of Na Mn2 O4 with the calcium ferrite-type structure","Journal of Solid State Chemistry","2006","179","","169","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528294","20.063","","8.967","","18.023","","90","","96.12","","90","","3223.95","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nd ((C H3)2 N C H O)4 (H2 O)3 Cr (C N)6 (H2 O)2","","- C18 H28 Cr N10 Nd O9 -","- C18 H38 Cr N10 Nd O9 -","- C72 H152 Cr4 N40 Nd4 O36 -","4","1","","Akitsu, T.; Einaga, Y.","Structures, magnetic properties, and XPS of cyanide-bridged Nd(III)/Sm(III)/Gd(III)-Cr(III) complexes","Inorganica Chimica Acta","2006","359","","1421","1426","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528295","6.5965","","10.9595","","9.6633","","90","","96.457","","90","","694.17","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","La2 (S O4)2 (C4 O4) (H2 O)4","","- C4 H8 La2 O16 S2 -","- C4 H8 La2 O16 S2 -","- C8 H16 La4 O32 S4 -","2","0.5","","Akkari, H.; Merazig, H.; Benard-Rocherulle, P.; Roisnel, T.; Rocherulle, J.","Hydrothermal synthesis, crystal structure and thermal behaviour of the first lanthanide sulfato-squarate, La2 (H2 O)4 (S O4)2 (C4 O4)","Solid State Sciences","2006","8","","704","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528298","11.426","","11.328","","6.5735","","90","","90","","90","","850.833","","","","","","","","","","","","","5","P n n 2","P 2 -2n","34","","Na0.5 Pb2 (B5 O9) (O H)1.5 (H2 O)0.5","","- B5 H2.5 Na0.5 O11 Pb2 -","- B5 H Na0.5 O11 Pb2 -","- B20 H4 Na2 O44 Pb8 -","4","1","","Al'-Ama, A.G.; Dimitrova, O.V.; Belokoneva, E.L.; Stefanovich, S.Yu.; Mochenova, N.N.","A new nonlinear optical borate, Na0.5 Pb2 [B5 O9] (O H)1.5 . 0.5H2 O, from the orthorhombic hilgardite family","Kristallografiya","2006","51","","429","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528302","5.44727","","11.3198","","5.31009","","90","","90","","90","","327.431","","","","","","","","","","","","","6","P c m 21","P 2c -2c","26","","Ca2.5 Sr0.5 Ga Co0.15 Mn1.85 O8","","- Ca2.5 Co0.15 Ga Mn1.85 O8 Sr0.5 -","- Ca2.5 Co0.15 Ga Mn1.85 O8 Sr0.5 -","- Ca5 Co0.3 Ga2 Mn3.7 O16 Sr -","2","0.5","","Allix, M.; Battle, P.D.; Ruiz-Bustos, R.; Rosseinsky, M.J.; Frampton, P.P.C.","Composition dependence of the structural chemistry and magnetism of Ca2.5 Sr0.5 (Ga,Co)(1+x) Mn(2-x) O8","Journal of Solid State Chemistry","2006","179","","775","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528303","5.4411","","11.3823","","5.3063","","90","","90","","90","","328.631","","","","","","","","","","","","","5","P c m 21","P 2c -2c","26","","Ca2.5 Sr0.5 Ga1.2 Mn1.8 O8","","- Ca2.5 Ga1.2 Mn1.8 O8 Sr0.5 -","- Ca2.5 Ga1.2 Mn1.8 O8 Sr0.5 -","- Ca5 Ga2.4 Mn3.6 O16 Sr -","2","0.5","","Allix, M.; Battle, P.D.; Frampton, P.P.C.; Rosseinsky, M.J.; Ruiz-Bustos, R.","Composition dependence of the structural chemistry and magnetism of Ca2.5 Sr0.5 (Ga,Co)(1+x) Mn(2-x) O8","Journal of Solid State Chemistry","2006","179","","775","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528304","5.5031","","5.4653","","7.7961","","90","","90","","90","","234.476","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","Sr0.94 La0.94 Mn Ti O6","","- La0.94 Mn O6 Sr0.94 Ti -","- La0.948 Mn O6 Sr0.948 Ti -","- La1.896 Mn2 O12 Sr1.896 Ti2 -","2","0.25","","Alvarez-Serrano, I.; Veiga, M.L.; Pico, C.; Lopez, M.L.","CMR in a manganite with 50% of Ti in Mn sites","Solid State Sciences","2006","8","","37","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528327","5.5529","","5.5529","","7.8993","","90","","90","","90","","243.573","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Fe Mo O6","","- Fe Mo O6 Sr2 -","- Fe Mo O6 Sr2 -","- Fe2 Mo2 O12 Sr4 -","2","0.125","","Azad, A.K.; Eriksson, S.G.; Tseggai, M.; Eriksson, A.; Khan, A.","Electron doping effect on structural and magnetic phase transitions in Sr(2-x) Nd(x) Fe Mo O6","Journal of Solid State Chemistry","2006","179","","1303","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528328","5.5557","","5.5557","","7.8877","","90","","90","","90","","243.46","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr1.9 Nd0.1 Fe Mo O6","","- Fe Mo Nd0.1 O6 Sr1.9 -","- Fe Mo Nd0.1 O6 Sr1.9 -","- Fe2 Mo2 Nd0.2 O12 Sr3.8 -","2","0.125","","Azad, A.K.; Khan, A.; Eriksson, S.G.; Eriksson, A.; Tseggai, M.","Electron doping effect on structural and magnetic phase transitions in Sr(2-x) Nd(x) Fe Mo O6","Journal of Solid State Chemistry","2006","179","","1303","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528329","5.5609","","5.5578","","7.8884","","90","","89.72","","90","","243.799","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Sr1.6 Nd0.4 Fe Mo O6","","- Fe Mo Nd0.4 O6 Sr1.6 -","- Fe Mo Nd0.4 O6 Sr1.6 -","- Fe2 Mo2 Nd0.8 O12 Sr3.2 -","2","0.5","","Azad, A.K.; Eriksson, A.; Eriksson, S.G.; Khan, A.; Tseggai, M.","Electron doping effect on structural and magnetic phase transistions in Sr(2-x) Nd(x) Fe Mo O6","Journal of Solid State Chemistry","2006","179","","1303","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528332","9.0431","","9.1796","","9.2711","","89.693","","70.202","","89.53","","724.096","","","","","","","","","","","","","6","P -1","-P 1","2","","Ni (N H3 C H (P O3 H)2)2 (H2 O)3","","- C2 H18 N2 Ni O15 P4 -","- C2 H18 N2 Ni O15 P4 -","- C4 H36 N4 Ni2 O30 P8 -","2","1","","Bao Songsong; Wang Tianwei; Li Yizhi; Zheng Limin","Metal phosphonates based on aminomethylenediphosphonate: syntheses and characterization of Na4 Zn {N H3 C H (P O3)2}2.4H2 O, Ni {N H3 C H (P O3 H)2}2.xH2 O and Na Ni2 {N H3 C H (P O3) (P O3 H0.5)}2 (H2 O)2.2H2 O","Journal of Solid State Chemistry","2006","179","","413","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528333","5.5508","","6.1663","","12.424","","92.422","","92.687","","93.926","","423.342","","","","","","","","","","","","","7","P -1","-P 1","2","","Na4 Zn (N H3 C H (P O3)2)2 (H2 O)4","","- C2 H16 N2 Na4 O16 P4 Zn -","- C2 H16 N2 Na4 O16 P4 Zn -","- C2 H16 N2 Na4 O16 P4 Zn -","1","0.5","","Bao Songsong; Wang Tianwei; Li Yizhi; Zheng Limin","Metal phosphonates based on aminomethylenediphosphonate: syntheses and characterization of Na4 Zn {N H3 C H (P O3)2}2.4H2 O, Ni {N H3 C H (P O3 H)2}2.xH2 O and Na Ni2 {N H3 C H (P O3) (P O3 H0.5)}2 (H2 O)2.2H2 O","Journal of Solid State Chemistry","2006","179","","413","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528335","12.425","","19.86","","13.882","","90","","100.767","","90","","3365.22","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Nd6 Mo10 O39","","- Mo10 Nd6 O39 -","- Mo10 Nd6 O39 -","- Mo40 Nd24 O156 -","4","0.5","","Barker, R.S.; Evans, I.R.","An investigation of the Nd2 O3 - Mo O3 phase system: Thermal decomposition of Nd2 Mo4 O15 and formation of Nd6 Mo10 O39","Journal of Solid State Chemistry","2006","179","","1918","1923","","","","","","","","","","","","","","","","","","","","","","has coordinates","150436","2020-10-21","18:00:00",""
"1528341","17.413","","4.7856","","5.6638","","90","","90","","90","","471.974","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Co ((C H3) P O3) (H2 O)","","- C H3 Co O4 P -","- C H3 Co O4 P -","- C4 H12 Co4 O16 P4 -","4","1","","Bauer, E.M.; Bellitto, C.; Mahmoud, M.R.; Portalone, G.; Ibrahim, S.A.; Colapietro, M.; Righini, G.","Layered hybrid organic-inorganic Co(II) alkylphosphonates. Synthesis, crystal structure and magnetism of the first two members of the series: Co [(C H3 P O3) (H2 O)] and Co [(C2 H5 P O3) (H2 O)]","Journal of Solid State Chemistry","2006","179","","389","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528342","10.15","","10.15","","6.7938","","90","","90","","120","","606.144","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ca5 (V O4)3 Cl","","- Ca5 Cl O12 V3 -","- Ca5 Cl1.002 O12 V3 -","- Ca10 Cl2.004 O24 V6 -","2","0.166667","","Beck, H.P.; Douiheche, M.; Haberkorn, R.; Kohlmann, H.","Synthesis and characterisation of chloro-vanadato-apatites M5 (V O4)3 Cl (M = Ca, Sr, Ba)","Solid State Sciences","2006","8","","64","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528343","10.2073","","10.2073","","7.3067","","90","","90","","120","","659.286","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Sr5 (V O4)3 Cl","","- Cl O12 Sr5 V3 -","- Cl O12 Sr5 V3 -","- Cl2 O24 Sr10 V6 -","2","0.166667","","Beck, H.P.; Douiheche, M.; Haberkorn, R.; Kohlmann, H.","Synthesis and characterisation of chloro-vanadato-apatites M5 (V O4)3 Cl (M = Ca, Sr, Ba)","Solid State Sciences","2006","8","","64","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528344","10.5468","","10.5468","","7.7437","","90","","90","","120","","745.969","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ba5 (V O4)3 Cl","","- Ba5 Cl O12 V3 -","- Ba5 Cl O12 V3 -","- Ba10 Cl2 O24 V6 -","2","0.166667","","Beck, H.P.; Douiheche, M.; Haberkorn, R.; Kohlmann, H.","Synthesis and characterisation of chloro-vanadato-apatites M5 (V O4)3 Cl (M = Ca, Sr, Ba)","Solid State Sciences","2006","8","","64","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528345","5.32056","","7.5029","","5.25902","","90","","90","","90","","209.938","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cd0.8 Na0.2 V O3","","- Cd0.8 Na0.2 O3 V -","- Cd0.8 Na0.2 O3 V -","- Cd3.2 Na0.8 O12 V4 -","4","0.5","","Belik, A.A.; Takayama-Muromachi, E.","High-pressure synthesis, crystal structures, and characterization of Cd V O3-delta and solid solutions Cd V O3 - Na V O3","Journal of Solid State Chemistry","2006","179","","1650","1658","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528346","5.33435","","7.5232","","5.26394","","90","","90","","90","","211.249","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cd V O3","","- Cd O3 V -","- Cd O3 V -","- Cd4 O12 V4 -","4","0.5","","Belik, A.A.; Takayama-Muromachi, E.","High-pressure synthesis, crystal structures, and characterization of Cd V O(3-delta) and solid solutions Cd V O3 - Na V O3","Journal of Solid State Chemistry","2006","179","","1650","1658","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528347","17.045","","6.66","","6.473","","90","","90","","90","","734.813","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Pb P S4","","- K P Pb S4 -","- K P Pb S4 -","- K4 P4 Pb4 S16 -","4","0.5","","Belkyal, I.; El Azhari, M.; Wu, Y.-D.; Depmeier, W.; Hesse, K.F.; Bensch, W.","Synthesis and crystal structure of the new quaternary thiophosphate K Pb P S4","Solid State Sciences","2006","8","","59","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528355","10.587","","10.587","","10.587","","90","","90","","90","","1186.64","","","","","","","","","","","","","9","F d -3 m :1","F 4d 2 3 -1d","227","","(Ba0.39 Tl0.20 Ce0.04 Th0.05) (Nb1.8 Ti0.19 Fe0.01) O5.47 (O H)0.53","","- Ba0.39 Ce0.04 Fe0.01 H0.53 Nb1.8 O6 Th0.05 Ti0.19 Tl0.2 -","- Ba0.39 Ce0.04 Fe0.01 Nb1.8 O6 Th0.05 Ti0.19 Tl0.216 -","- Ba3.12 Ce0.32 Fe0.08 Nb14.4 O48 Th0.4 Ti1.52 Tl1.728 -","8","0.0416667","","Bindi, L.; Petricek, V.; Zoppi, M.; Withers, R.L.; Bonazzi, P.","A novel high-temperature commensurate superstructure in a natural bariopyrochlore: a structural study by means of a multiphase crystal structure refinement","Journal of Solid State Chemistry","2006","179","","729","738","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528356","20.974","","20.974","","20.974","","90","","90","","90","","9226.64","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ba20 Nb16 Ti2 O53","","- Ba20 Nb16 O53 Ti2 -","- Ba20 Nb16 O53 Ti2 -","- Ba160 Nb128 O424 Ti16 -","8","0.0833333","","Bindi, L.; Petricek, V.; Bonazzi, P.; Withers, R.L.; Zoppi, M.","A novel high-temperature commensurate superstructure in a natural bariopyrochlore: a structural study by means of a multiphase crystal structure refinement","Journal of Solid State Chemistry","2006","179","","729","738","","","","","","","","","","","","","","","","","","","","","","has coordinates","150481","2020-10-21","18:00:00",""
"1528357","5.4584","","5.4577","","5.4837","","90","","90","","90","","163.361","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nd0.7 Pb0.3 Mn O3","","- Mn Nd0.7 O3 Pb0.3 -","- Mn Nd0.7 O3 Pb0.3 -","- Mn4 Nd2.8 O12 Pb1.2 -","4","0.5","","Blanco, J.J.; Insausti, M.; de Muro, I.G.; Rojo, T.; Lezama, L.","Neutron diffraction and magnetic study of the Nd0.7 Pb0.3 Mn(1-x) Fe(x) O3","Journal of Solid State Chemistry","2006","179","","623","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528358","5.4597","","5.4583","","5.4864","","90","","90","","90","","163.498","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Nd0.7 Pb0.3 Mn0.9 Fe0.1 O3","","- Fe0.1 Mn0.9 Nd0.7 O3 Pb0.3 -","- Fe0.1 Mn0.9 Nd0.7 O3 Pb0.3 -","- Fe0.4 Mn3.6 Nd2.8 O12 Pb1.2 -","4","0.5","","Blanco, J.J.; Insausti, M.; de Muro, I.G.; Lezama, L.; Rojo, T.","Neutron diffraction and magnetic study of the Nd0.7 Pb0.3 Mn(1-x) Fe(x) O3","Journal of Solid State Chemistry","2006","179","","623","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","150487","2020-10-21","18:00:00",""
"1528359","5.349","","5.6089","","7.6687","","90","","90","","90","","230.076","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Gd Fe O3","","- Fe Gd O3 -","- Fe Gd O3 -","- Fe4 Gd4 O12 -","4","0.5","","Blasco, J.; Stankiewicz, J.; Garcia, J.","Phase segregation in the Gd(1-x) Sr(x) Fe O(3-delta) series","Journal of Solid State Chemistry","2006","179","","898","908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528360","5.355","","5.5993","","7.6715","","90","","90","","90","","230.024","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Gd0.95 Sr0.05 Fe O3","","- Fe Gd0.95 O3 Sr0.05 -","- Fe Gd0.95 O3 Sr0.05 -","- Fe4 Gd3.8 O12 Sr0.2 -","4","0.5","","Blasco, J.; Stankiewicz, J.; Garcia, J.","Phase segregation in the Gd(1-x) Sr(x) Fe O(3-delta) series","Journal of Solid State Chemistry","2006","179","","898","908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528361","5.4656","","5.4433","","7.6954","","90","","90","","90","","228.945","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Gd0.333 Sr0.667 Fe O2.96","","- Fe Gd0.333 O2.96 Sr0.667 -","- Fe Gd0.333 O2.961 Sr0.667 -","- Fe4 Gd1.332 O11.844 Sr2.668 -","4","0.5","","Blasco, J.; Stankiewicz, J.; Garcia, J.","Phase segregation in the Gd(1-x) Sr(x) Fe O(3-delta) series","Journal of Solid State Chemistry","2006","179","","898","908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528362","3.8654","","3.8654","","3.8654","","90","","90","","90","","57.754","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Gd0.333 Sr0.667 Fe O2.90","","- Fe Gd0.333 O2.9 Sr0.667 -","- Fe Gd0.333 O2.9001 Sr0.667 -","- Fe Gd0.333 O2.9001 Sr0.667 -","1","0.0208333","","Blasco, J.; Stankiewicz, J.; Garcia, J.","Phase segregation in the Gd(1-x) Sr(x) Fe O(3-delta) series","Journal of Solid State Chemistry","2006","179","","898","908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528363","3.8582","","3.8582","","3.8582","","90","","90","","90","","57.432","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Gd0.125 Sr0.875 Fe O2.95","","- Fe Gd0.125 O2.95 Sr0.875 -","- Fe Gd0.125 O2.9499 Sr0.875 -","- Fe Gd0.125 O2.9499 Sr0.875 -","1","0.0208333","","Blasco, J.; Stankiewicz, J.; Garcia, J.","Phase segregation in the Gd(1-x) Sr(x) Fe O(3-delta) series","Journal of Solid State Chemistry","2006","179","","898","908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528364","3.8531","","3.8531","","3.8531","","90","","90","","90","","57.205","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sr Fe O2.96","","- Fe O2.96 Sr -","- Fe O2.9601 Sr -","- Fe O2.9601 Sr -","1","0.0208333","","Blasco, J.; Stankiewicz, J.; Garcia, J.","Phase segregation in the Gd(1-x) Sr(x) Fe O(3-delta) series","Journal of Solid State Chemistry","2006","179","","898","908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528370","3.8886","","3.8886","","20.8977","","90","","90","","120","","273.663","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sr2 N Cl","","- Cl N Sr2 -","- Cl N Sr2 -","- Cl3 N3 Sr6 -","3","0.0833333","","Bowman, A.; Smith, R.I.; Gregory, D.H.","Synthesis and structure of the ternary and quaternary strontium nitride halides, Sr2 N (X, X') (X, X' = Cl, Br, I)","Journal of Solid State Chemistry","2006","179","","130","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528371","3.9129","","3.9129","","21.4254","","90","","90","","120","","284.091","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Sr2 N Cl0.49 Br0.51","","- Br0.51 Cl0.49 N Sr2 -","- Br0.51 Cl0.49 N Sr2 -","- Br1.53 Cl1.47 N3 Sr6 -","3","0.0833333","","Bowman, A.; Smith, R.I.; Gregory, D.H.","Synthesis and structure of the ternary and quaternary strontium nitride halides, Sr2 N (X, X') (X, X' = Cl, Br, I)","Journal of Solid State Chemistry","2006","179","","130","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528372","3.9324","","3.9324","","21.838","","90","","90","","120","","292.455","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sr2 N Br","","- Br N Sr2 -","- Br N Sr2 -","- Br3 N3 Sr6 -","3","0.0833333","","Bowman, A.; Smith, R.I.; Gregory, D.H.","Synthesis and structure of the ternary and quaternary strontium nitride halides, Sr2 N (X, X') (X, X' = Cl, Br, I)","Journal of Solid State Chemistry","2006","179","","130","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528373","4.0103","","4.0103","","23.1138","","90","","90","","120","","321.926","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sr2 N I","","- I N Sr2 -","- I N Sr2 -","- I3 N3 Sr6 -","3","0.0833333","","Bowman, A.; Gregory, D.H.; Smith, R.I.","Synthesis and structure of the ternary and quaternary strontium nitride halides, Sr2 N (X, X') (X, X' = Cl, Br, I)","Journal of Solid State Chemistry","2006","179","","130","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528374","3.9738","","3.9738","","22.5326","","90","","90","","120","","308.144","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Sr2 N Br0.41 I0.59","","- Br0.41 I0.59 N Sr2 -","- Br0.41 I0.59 N Sr2 -","- Br1.23 I1.77 N3 Sr6 -","3","0.0833333","","Bowman, A.; Smith, R.I.; Gregory, D.H.","Synthesis and structure of the ternary and quaternary strontium nitride halides, Sr2 N (X, X') (X, X' = Cl, Br, I)","Journal of Solid State Chemistry","2006","179","","130","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528377","9.5462","","14.3678","","5.0174","","90","","97.086","","90","","682.92","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ta F5","","- F5 Ta -","- F5 Ta -","- F40 Ta8 -","8","1","","Brewer, S.A.; Hope, E.G.; Fawcett, J.; Brisdon, A.K.; Holloway, J.H.; Holliman, P.J.; Russell, D.R.","Re-evaluation of the x-ray crystal structure of [Ta4 F20] and the synthesis and characterization of a series of mixed-metal pentafluorides of niobium and tantalum","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","325","329","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528388","4.16158","","4.16158","","4.16158","","90","","90","","90","","72.073","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mo N0.506 -","- Mo N0.506 -","- Mo4 N2.024 -","4","0.0208333","","Bull, C.L.; Takayama-Muromachi, E.; McMillan, P.F.; Machon, D,; Shebanova, O.; Daisenberger, D.; Kawashima, T.; Soignard, E.; Chapon, L.C.","Crystal structure and high-pressure properties of gamma-Mo2 N determined by neutron powder diffraction and x-ray diffraction","Journal of Solid State Chemistry","2006","179","","1762","1767","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528391","5.6314","","8.6226","","6.2439","","90","","90","","90","","303.187","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li Mg (V O4)","","- Li Mg O4 V -","- Li Mg O4 V -","- Li4 Mg4 O16 V4 -","4","0.25","","Capsoni, D.; Galinetto, P.; Bini, M.; Mustarelli, P.; Belotti, F.; Massarotti, V.","Cation distribution in Li Mg V O4 and Li Zn V O4: structural and spectroscopic study","J. Phys. Chem. B","2006","110","","5409","5415","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528392","14.1857","","14.1857","","9.4879","","90","","90","","120","","1653.49","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li Zn V O4","","- Li1.048 O4 V0.974 Zn0.982 -","- Li1.048 O4 V0.974 Zn0.982 -","- Li18.864 O72 V17.532 Zn17.676 -","18","1","","Capsoni, D.; Bini, M.; Massarotti, V.; Mustarelli, P.; Belotti, F.; Galinetto, P.","Cation distribution in Li Mg V O4 and Li Zn V O4: structural and spectroscopic study","J. Phys. Chem. B","2006","110","","5409","5415","","","","","","","","","","","","","","","","","","","","","","has coordinates","150555","2020-10-21","18:00:00",""
"1528394","5.4198","","16.6219","","5.517","","90","","90","","90","","497.012","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.6 Sr0.4 Mn O2.5","","- La0.6 Mn O2.5 Sr0.4 -","- La0.6 Mn O2.5 Sr0.4 -","- La4.8 Mn8 O20 Sr3.2 -","8","1","","Casey, P.S.; Barker, D.; Hayward, M.A.","Charge and structural ordering in the brownmillerite phases: La(1-x) Sr(x) Mn O2.5 (0.2 < x < 0.4)","Journal of Solid State Chemistry","2006","179","","1375","1382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528395","11.3032","","5.4959","","17.2879","","90","","109.109","","90","","1014.77","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","La0.75 Sr0.25 Mn O2.5","","- La0.75 Mn O2.5 Sr0.25 -","- La0.75 Mn O2.5 Sr0.25 -","- La12 Mn16 O40 Sr4 -","16","4","","Casey, P.S.; Hayward, M.A.; Barker, D.","Charge and structural ordering in the brownmillerite phases: La(1-x) Sr(x) Mn O2.5 (0.2 < x < 0.4)","Journal of Solid State Chemistry","2006","179","","1375","1382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528396","11.333","","5.5165","","17.25","","90","","109.159","","90","","1018.71","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","La0.8 Sr0.2 Mn O2.5","","- La0.8 Mn O2.5 Sr0.2 -","- La0.8 Mn O2.5 Sr0.2 -","- La12.8 Mn16 O40 Sr3.2 -","16","4","","Casey, P.S.; Barker, D.; Hayward, M.A.","Charge and structural ordering in the brownmillerite phases: La(1-x) Sr(x) Mn O2.5 (0.2 < x < 0.4)","Journal of Solid State Chemistry","2006","179","","1375","1382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528401","3.7756","","3.7756","","12.47488","","90","","90","","90","","177.831","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Nd Sr Ni0.8 Cu0.2 O3.94","","- Cu0.2 Nd Ni0.8 O3.94 Sr -","- Cu0.2 Nd Ni0.8 O3.944 Sr -","- Cu0.4 Nd2 Ni1.6 O7.888 Sr2 -","2","0.0625","","Chaker, H.; Ben Hassen, R.; Roisnel, T.; Amami, M.; Cador, O.","Neutron powder diffraction studies of Nd Sr Ni(1-x) Cu(x) O(4-delta), 0 <= x <= 1, and magnetic properties","Solid State Sciences","2006","8","","142","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528402","3.75581","","3.75581","","12.64663","","90","","90","","90","","178.395","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Nd Sr Ni0.4 Cu0.6 O3.78","","- Cu0.6 Nd Ni0.4 O3.78 Sr -","- Cu0.6 Nd Ni0.4 O3.784 Sr -","- Cu1.2 Nd2 Ni0.8 O7.568 Sr2 -","2","0.0625","","Chaker, H.; Roisnel, T.; Ben Hassen, R.; Cador, O.; Amami, M.","Neutron powder diffraction studies of Nd Sr Ni(1-x) Cu(x) O(4-delta), 0 <= x <= 1, and magnetic properties","Solid State Sciences","2006","8","","142","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528403","7.524","","9.574","","7.45","","90","","90","","90","","536.659","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Ti O As O4","","- As Li O5 Ti -","- As Li O5 Ti -","- As4 Li4 O20 Ti4 -","4","0.5","","Chakir, M.; El Jazouli, A.; Chaminade, J.P.; Bouree, F.; de Waal, D.","New process of preparation, x-ray characterisation, structure and vibrational studies of a solid solution Li Ti O As(1-x) P(x) O4 (0 <= x <= 1)","Journal of Solid State Chemistry","2006","179","","18","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528404","7.463","","6.462","","7.351","","90","","90","","90","","354.509","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Li Ti O As0.5 P0.5 O4","","- As0.5 Li O5 P0.5 Ti -","- As0.5 Li O5 P0.5 Ti -","- As2 Li4 O20 P2 Ti4 -","4","0.5","","Chakir, M.; de Waal, D.; El Jazouli, A.; Bouree, F.; Chaminade, J.P.","New process of preparation, x-ray characterisation, structure and vibrational studies of a solid solution Li Ti O As(1-x) P(x) O4 (0 <= x <= 1)","Journal of Solid State Chemistry","2006","179","","18","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528405","7.401","","6.375","","7.235","","90","","90","","90","","341.357","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Ti O P O4","","- Li O5 P Ti -","- Li O5 P Ti -","- Li4 O20 P4 Ti4 -","4","0.5","","Chakir, M.; El Jazouli, A.; de Waal, D.; Chaminade, J.P.; Bouree, F.","New process of preparation, x-ray characterisation, structure and vibrational studies of a solid solution Li Ti O As(1-x) P(x) O4 (0 <= x <= 1)","Journal of Solid State Chemistry","2006","179","","18","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528406","8.9095","","8.9095","","22.255","","90","","90","","120","","1529.91","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na3 Mg Zr (P O4)3","","- Mg Na3 O12 P3 Zr -","- Mg Na2.999 O12 P3 Zr -","- Mg6 Na17.994 O72 P18 Zr6 -","6","0.166667","","Chakir, M.; El Jazouli, A.; de Waal, D.","Synthesis, crystal structure and spectroscopy properties of Na3 A Zr (P O4)3 (A = Mg, Ni) and Li2.6 Na0.4 Ni Zr (P O4)3 phosphates","Journal of Solid State Chemistry","2006","179","","1883","1891","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528407","8.8909","","8.8909","","22.225","","90","","90","","120","","1521.47","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na3 Ni Zr (P O4)3","","- Na3 Ni O12 P3 Zr -","- Na3.001 Ni O12 P3 Zr -","- Na18.006 Ni6 O72 P18 Zr6 -","6","0.166667","","Chakir, M.; El Jazouli, A.; de Waal, D.","Synthesis, crystal structure and spectroscopy properties of Na3 A Zr (P O4)3 (A = Mg, Ni) and Li2.6 Na0.4 Ni Zr (P O4)3 phosphates","Journal of Solid State Chemistry","2006","179","","1883","1891","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528409","5.5313","","5.5313","","8.0832","","90","","90","","90","","247.308","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Mn Sb O6","","- Mn O6 Sb Sr2 -","- Mn O6 Sb Sr2 -","- Mn2 O12 Sb2 Sr4 -","2","0.125","","Cheah, M.; Saines, P.J.; Kennedy, B.J.","The Jahn-Teller distortion and cation ordering in the perovskite Sr2 Mn Sb O6","Journal of Solid State Chemistry","2006","179","","1775","1781","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528410","7.9829","","7.9829","","7.9829","","90","","90","","90","","508.724","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr2 Mn Sb O6","","- Mn O6 Sb Sr2 -","- Mn O6 Sb Sr2 -","- Mn4 O24 Sb4 Sr8 -","4","0.0208333","","Cheah, M.; Saines, P.J.; Kennedy, B.J.","The Jahn-Teller distortion and cation ordering in the perovskite Sr2 Mn Sb O6","Journal of Solid State Chemistry","2006","179","","1775","1781","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528413","8.2196","","8.2196","","5.1217","","90","","90","","120","","299.672","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","La3 Nb0.5 Ga5.5 O14","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Chernaya, T.S.; Molchanov, V.N.; Kazantsev, S.S.; Verin, I.A.; Blomberg, M.K.; Maksimov, B.A.; Simonov, V.I.","Crystal structure of La3 Nb0.5 Ga5.5 O14 at 20 K","Kristallografiya","2006","51","","30","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","150593","2020-10-21","18:00:00",""
"1528435","11.0053","","22.828","","24.398","","101.66","","102.974","","103.558","","5592.69","","","","","","","","","","","","","7","P -1","-P 1","2","","Li ((C H3)2 Si O)6 (Al (O C (C F3)3)4)","","- C28 H18 Al F36 Li O10 Si6 -","- C28 H18 Al F36 Li O10 Si6 -","- C112 H72 Al4 F144 Li4 O40 Si24 -","4","2","","Decken, A.; Passmore, J.; Wang, X.","Cyclic dimethylsiloxanes as pseudo crown ethers: syntheses and characterization of Li (Me2 Si O)5 [Al {O C (C F3)3}4], Li (Me2 Si O)6 [Al {O C (C F3)3}4], and Li (Me2 Si O)6 [Al {O C (C F3)2 Ph}4]","Angewandte Chemie (Edition international)","2006","45","","2773","2777","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528441","28.3409","","5.9407","","28.6585","","90","","114.264","","90","","4398.85","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Sr Te O3","","- O3 Sr Te -","- O3 Sr Te -","- O144 Sr48 Te48 -","48","6","","Dityat'yev, O.A.; Aldous, D.W.; Dolgikh, V.A.; Berdonosov, P.S.; Lightfoot, P.","On the crystal structures of Sr Te O3","Solid State Sciences","2006","8","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528448","9.502","","3.8802","","12.305","","90","","90","","90","","453.681","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn Bi S2 Cl","","- Bi Cl Mn S2 -","- Bi Cl Mn S2 -","- Bi4 Cl4 Mn4 S8 -","4","0.5","","Doussier, C.; Andre, G.; Moelo, Y.; Leone, P.; Janod, E.","Magnetic study of two isotypic manganese chloro-sulfides: Mn Sb S2 Cl and the new compound Mn Bi S2 Cl","Journal of Solid State Chemistry","2006","179","","486","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528449","12.669","","3.8509","","9.585","","90","","91","","90","","467.553","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Mn Sb S2 Br","","- Br Mn S2 Sb -","- Br Mn S2 Sb -","- Br4 Mn4 S8 Sb4 -","4","0.5","","Doussier, C.; Moelo, Y.; Leone, P.","Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)","Solid State Sciences","2006","8","","652","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528450","9.995","","4.0275","","12.928","","90","","90","","90","","520.415","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn Bi Se2 Br","","- Bi Br Mn Se2 -","- Bi Br Mn Se2 -","- Bi4 Br4 Mn4 Se8 -","4","0.5","","Doussier, C.; Moelo, Y.; Leone, P.","Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)","Solid State Sciences","2006","8","","652","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528451","10.005","","3.972","","12.871","","90","","90","","90","","511.492","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn Sb Se2 Br","","- Br Mn Sb Se2 -","- Br Mn Sb Se2 -","- Br4 Mn4 Sb4 Se8 -","4","0.5","","Doussier, C.; Moelo, Y.; Leone, P.","Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)","Solid State Sciences","2006","8","","652","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528452","10.046","","25.994","","3.9689","","90","","90","","90","","1036.42","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Mn2 Sb2 Se4 Br2","","- Br2 Mn2 Sb2 Se4 -","- Br2 Mn2 Sb2 Se4 -","- Br8 Mn8 Sb8 Se16 -","4","0.5","","Doussier, C.; Leone, P.; Moelo, Y.","Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)","Solid State Sciences","2006","8","","652","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","150691","2020-10-21","18:00:00",""
"1528456","5.58","","7.208","","8.309","","90","","90","","90","","334.193","","","","","","","","","","","","","4","P m c b","-P 2bc 2","55","","Er Al Ge O5","","- Al Er Ge O5 -","- Al Er Ge O5 -","- Al4 Er4 Ge4 O20 -","4","0.5","","Durand, A.; Mentre, O.; Abraham, F.; Elouadi, B.; Fukuda, T.","Crystal structure or Er Al Ge O5 and evidence of a peculiar double coordination sphere of Al(III) and Ge(IV) cations","Solid State Sciences","2006","8","","155","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528474","4.9781","","4.9781","","24.2459","","90","","90","","120","","520.351","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Er Co3","","- Co3 Er -","- Co3 Er -","- Co27 Er9 -","9","0.25","","Filinchuk, Y.E.; Yvon, K.","Directional metal-hydrogen bonding in interstitial hydrides. III. Structural study of Er Co3 D(x) (0 <= x <= 4,3)","Journal of Solid State Chemistry","2006","179","","1041","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528475","4.98638","","4.98638","","26.03","","90","","90","","120","","560.5","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Er Co3 D1.37","","- Co3 D1.37 Er -","- Co3 D1.36933 Er -","- Co27 D12.324 Er9 -","9","0.25","","Filinchuk, Y.E.; Yvon, K.","Directional metal-hydrogen bonding in interstitial hydrides. III. Structural study of Er Co3 D(x) (0 <= x <= 4,3)","Journal of Solid State Chemistry","2006","179","","1041","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528476","5.22488","","5.22488","","26.12214","","90","","90","","120","","617.578","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Er Co3","","- Co3 Er -","- Co3 Er -","- Co27 Er9 -","9","0.25","","Filinchuk, Y.E.; Yvon, K.","Directional metal-hydrogen bonding in interstitial hydrides. III. Structural study of Er Co3 D(x) (0 <= x <= 4,3)","Journal of Solid State Chemistry","2006","179","","1041","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528477","5.2218","","5.2218","","26.0456","","90","","90","","120","","615.043","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Er Co3 D3.71","","- Co3 D3.71 Er -","- Co3 D3.72 Er -","- Co27 D33.48 Er9 -","9","0.25","","Filinchuk, Y.E.; Yvon, K.","Directional metal-hydrogen bonding in interstitial hydrides. III. Structural study of Er Co3 D(x) (0 <= x <= 4,3)","Journal of Solid State Chemistry","2006","179","","1041","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528479","5.41517","","5.46006","","22.7699","","90","","90","","90","","673.241","","","","","","","","","","","","","5","I m a m","-I 2c 2","74","","Co Sr2 Y Cu2 O7","","- Co Cu2 O7 Sr2 Y -","- Co Cu2 O7 Sr2 Y -","- Co4 Cu8 O28 Sr8 Y4 -","4","0.25","","Fjellvag, H.; Morita, Y.; Awana, V.P.S.; Lee, J.-H.; Nagai, T.; Chen, J.-M.; Matsui, Y.; Liu, R.-S.; Yamauchi, H.; Hauback, B.C.; Karppinen, M.","Hole doping into Co-12s2 copper oxides with s fluorite-structured layers between Cu O2 planes","Journal of Solid State Chemistry","2006","179","","632","645","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528480","5.402","","5.44701","","22.7989","","90","","90","","90","","670.852","","","","","","","","","","","","","6","I m a m","-I 2c 2","74","","Co Sr2 (Y0.6 Ca0.4) Cu2 O7","","- Ca0.4 Co Cu2 O7 Sr2 Y0.6 -","- Ca0.4 Co Cu2 O7 Sr2 Y0.6 -","- Ca1.6 Co4 Cu8 O28 Sr8 Y2.4 -","4","0.25","","Fjellvag, H.; Nagai, T.; Morita, Y.; Karppinen, M.; Awana, V.P.S.; Lee, J.-H.; Matsui, Y.; Liu, R.-S.; Chen, J.-M.; Hauback, B.C.; Yamauchi, H.","Hole doping into Co-12s2 copper oxides with s fluorite-structured layers between Cu O2 planes","Journal of Solid State Chemistry","2006","179","","632","645","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528481","3.8157","","3.8157","","11.272","","90","","90","","90","","164.115","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Co Sr2 (Y0.6 Ca0.4) Cu2 O7.152","","- Ca0.4 Co Cu2 O7.152 Sr2 Y0.6 -","- Ca0.4 Co Cu2 O7.152 Sr2 Y0.6 -","- Ca0.4 Co Cu2 O7.152 Sr2 Y0.6 -","1","0.0625","","Fjellvag, H.; Morita, Y.; Chen, J.-M.; Lee, J.-H.; Nagai, T.; Awana, V.P.S.; Liu, R.-S.; Hauback, B.C.; Matsui, Y.; Yamauchi, H.; Karppinen, M.","Hole doping into Co-12s2 copper oxides with s fluorite-structured layers between Cu O2 planes","Journal of Solid State Chemistry","2006","179","","632","645","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528482","5.4183","","5.4447","","33.605","","90","","90","","90","","991.382","","","","","","","","","","","","","6","I m a m","-I 2c 2","74","","Co Sr2 (Ce0.67 Y0.33)3 Cu2 O11","","- Ce2.01 Co Cu2 O11 Sr2 Y0.99 -","- Ce2.01 Co Cu2 O11 Sr2 Y0.99 -","- Ce8.04 Co4 Cu8 O44 Sr8 Y3.96 -","4","0.25","","Fjellvag, H.; Morita, Y.; Nagai, T.; Lee, J.-H.; Chen, J.-M.; Karppinen, M.; Hauback, B.C.; Liu, R.-S.; Matsui, Y.; Yamauchi, H.; Awana, V.P.S.","Hole doping into Co-12s2 copper oxides with s fluorite-structured layers between Cu O2 planes","Journal of Solid State Chemistry","2006","179","","632","645","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528487","9.3762","","9.3762","","2.7786","","90","","90","","120","","211.549","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Na Li2 Ru6 O12","","- Li2 Na O12 Ru6 -","- Li2 Na O12 Ru6 -","- Li2 Na O12 Ru6 -","1","0.0833333","","Foo, M.L.; He, T.; Lawes, G.; Zandbergen, H.W.; Huang, Q.; Cava, R.J.; Ramirez, A.P.; Siegrist, T.","Synthesis and characterization of the pseudo-hexagonal hollandites A Li2 Ru6 O12 (A = Na, K)","Journal of Solid State Chemistry","2006","179","","941","948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528488","9.4053","","9.4053","","2.7672","","90","","90","","120","","211.991","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","K Li2 Ru6 O12","","- K Li2 O12 Ru6 -","- K Li2 O12 Ru6 -","- K Li2 O12 Ru6 -","1","0.0833333","","Foo, M.L.; Lawes, G.; He, T.; Huang, Q.; Siegrist, T.; Zandbergen, H.W.; Ramirez, A.P.; Cava, R.J.","Synthesis and characterization of the pseudo-hexagonal hollandites A Li2 Ru6 O12 (A = Na, K)","Journal of Solid State Chemistry","2006","179","","941","948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528489","9.3775","","16.2522","","5.56143","","90.3955","","89.869","","90.034","","847.567","","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","Li Na0.54 Ru3 O6","","- Li Na0.54 O6 Ru3 -","- Li Na0.536 O6 Ru3 -","- Li8 Na4.288 O48 Ru24 -","8","","","Foo, M.L.; Zandbergen, H.W.; Huang, Q.; He, T.; Lawes, G.; Cava, R.J.; Siegrist, T.; Ramirez, A.P.","Synthesis and characterization of the pseudo-hexagonal hollandites A Li2 Ru6 O12 (A = Na, K)","Journal of Solid State Chemistry","2006","179","","941","948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528490","9.3665","","19.2324","","5.5501","","90.436","","89.869","","90.025","","999.765","","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","Na0.5 Li Ru3 O6","","- Li Na0.5 O6 Ru3 -","- Li Na0.5 O6 Ru3 -","- Li8 Na4 O48 Ru24 -","8","","","Foo, M.L.; He, T.; Zandbergen, H.W.; Ramirez, A.P.; Huang, Q.; Lawes, G.; Siegrist, T.; Cava, R.J.","Synthesis and characterization of the pseudo-hexagonal hollandites A Li2 Ru6 O12 (A = Na, K)","Journal of Solid State Chemistry","2006","179","","941","948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528491","5.88779","","5.88779","","13.5538","","90","","90","","120","","406.908","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba ((Mn2.04 Ru3.96) O11)","","- Ba Mn2.04 O11 Ru3.96 -","- Ba Mn2.038 O11 Ru3.962 -","- Ba2 Mn4.076 O22 Ru7.924 -","2","0.0833333","","Foo, M.L.; Lee, W.-L.; Huang, Q.; Lynn, J.W.; Hagemann, I.S.; Klimczuk, T.; Ong, N.P.; Cava, R.J.","Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M= Li and Cu) and Ba M'2 Ru4 O11 (M'= Mn, Fe and Co)","Journal of Solid State Chemistry","2006","179","","563","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528492","5.84453","","5.84453","","13.8099","","90","","90","","120","","408.527","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba Cu0.98 Ru5 O11","","- Ba Cu0.98 O11 Ru5 -","- Ba Cu0.975 O11 Ru5 -","- Ba2 Cu1.95 O22 Ru10 -","2","0.0833333","","Foo, M.L.; Lee, W.-L.; Huang, Q.; Klimczuk, T.; Lynn, J.W.; Hagemann, I.S.; Ong, N.P.; Cava, R.J.","Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M= Li and Cu) and Ba M'2 Ru4 O11 (M'= Mn, Fe and Co)","Journal of Solid State Chemistry","2006","179","","563","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528493","5.7554","","5.7554","","21.621","","90","","90","","120","","620.237","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Ba Ru O3","","- Ba O3 Ru -","- Ba O3 Ru -","- Ba9 O27 Ru9 -","9","0.25","","Foo, M.L.; Huang, Q.; Cava, R.J.; Lynn, J.W.; Hagemann, I.S.; Lee, W.-L.; Ong, N.P.; Klimczuk, T.","Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M = Li and Cu) and Ba M'2 Ru4 O11 (M' = Mn, Fe and Co)","Journal of Solid State Chemistry","2006","179","","563","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528494","5.8113","","5.8113","","13.7893","","90","","90","","120","","403.292","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba Li0.55 Ru5 O11","","- Ba Li0.55 O11 Ru5 -","- Ba Li0.55 O11 Ru5 -","- Ba2 Li1.1 O22 Ru10 -","2","0.0833333","","Foo, M.L.; Huang, Q.; Lynn, J.W.; Lee, W.-L.; Hagemann, I.S.; Klimczuk, T.; Ong, N.P.; Cava, R.J.","Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M = Li and Cu) and Ba M'2 Ru4 O11 (M' = Mn, Fe and Co)","Journal of Solid State Chemistry","2006","179","","563","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528495","4.9274","","8.786","","9.886","","90","","100.023","","90","","421.454","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Li0.80 O3 Ru","","- Li0.8 O3 Ru -","- Li0.8 O3 Ru -","- Li6.4 O24 Ru8 -","8","1","","Foo, M.L.; Klimczuk, T.; Huang, Q.; Lee, W.-L.; Lynn, J.W.; Cava, R.J.; Hagemann, I.S.; Ong, N.P.","Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M = Li and Cu) and Ba M'2 Ru4 O11 (M' = Mn, Fe and Co)","Journal of Solid State Chemistry","2006","179","","563","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528496","5.8808","","5.8808","","13.533","","90","","90","","120","","405.32","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba (Mn2 Ru4 O11)","","- Ba Mn2 O11 Ru4 -","- Ba Mn1.999 O11 Ru4.001 -","- Ba2 Mn3.998 O22 Ru8.002 -","2","0.0833333","","Foo, M.L.; Huang, Q.; Lynn, J.W.; Lee, W.-L.; Klimczuk, T.; Cava, R.J.; Hagemann, I.S.; Ong, N.P.","Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M= Li and Cu) and Ba M'2 Ru4 O11 (M'= Mn, Fe and Co)","Journal of Solid State Chemistry","2006","179","","563","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528498","24.082","","12.7912","","11.9559","","90","","90","","90","","3682.87","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H48 Cl4 Mo2 N12 P4 -","- C24 H48 Cl4 Mo2 N12 P4 -","- C96 H192 Cl16 Mo8 N48 P16 -","4","1","","Frost, B.J.; Miller, S.B.; Rove, K.O.; Pearson, D.M.; Mebi, C.A.; Korinek, J.D.; Harkreader, J.L.; Shearer, J.","Synthesis, characterization, and crystal structure of a quadruply bonded dimolybdenum(II) complex containing the water-soluble phosphine 1,3,5-triaza-7-phophaadamantane (PTA)","Inorganica Chimica Acta","2006","359","","283","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528499","6.07918","","6.04547","","8.53909","","90","","90.134","","90","","313.824","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba2 Nd Nb O6","","- Ba2 Nb Nd O6 -","- Ba2 Nb Nd O6 -","- Ba4 Nb2 Nd2 O12 -","2","0.25","","Fu, W.T.; Ijdo, D.J.W.","New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)","Journal of Solid State Chemistry","2006","179","","1022","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528500","5.99856","","5.99856","","8.52","","90","","90","","90","","306.573","","","","","","","","","","","","","4","I 4/m","-I 4","87","","","","- Ba2 Gd Nb O6 -","- Ba2 Gd Nb O6 -","- Ba4 Gd2 Nb2 O12 -","2","0.125","","Fu, W.T.; Ijdo, D.J.W.","New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)","Journal of Solid State Chemistry","2006","179","","1022","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528501","5.98428","","5.98428","","8.48173","","90","","90","","90","","303.744","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 Tb Nb O6","","- Ba2 Nb O6 Tb -","- Ba2 Nb O6 Tb -","- Ba4 Nb2 O12 Tb2 -","2","0.125","","Fu, W.T.; Ijdo, D.J.W.","New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)","Journal of Solid State Chemistry","2006","179","","1022","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528502","8.43159","","8.43159","","8.43159","","90","","90","","90","","599.416","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Y Nb O6","","- Ba2 Nb O6 Y -","- Ba2 Nb O6 Y -","- Ba8 Nb4 O24 Y4 -","4","0.0208333","","Fu, W.T.; Ijdo, D.J.W.","New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)","Journal of Solid State Chemistry","2006","179","","1022","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528503","6.14448","","6.09131","","8.604","","90","","90.348","","90","","322.024","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Ba2 La Nb O6 -","- Ba2 La Nb O6 -","- Ba4 La2 Nb2 O12 -","2","0.25","","Fu, W.T.; Ijdo, D.J.W.","New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)","Journal of Solid State Chemistry","2006","179","","1022","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528509","6.1869","","11.2066","","7.1484","","90","","90","","90","","495.628","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Y Cu O2.5","","- Cu O2.5 Y -","- Cu O2.5 Y -","- Cu8 O20 Y8 -","8","1","","Garlea, V.O.; Bordet, P.; Darie, C.; Isnard, O.","Synthesis and neutron diffraction structural analysis of oxidized delafossite Y Cu O2.5","Solid State Sciences","2006","8","","457","461","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528529","11.0286","","7.7351","","5.53419","","89.894","","90","","90","","472.106","","","","","","","","","","","","","4","P n 1 1","P -2xbc","7","","Bi0.75 Sr0.25 Mn O3","","- Bi0.75 Mn O3 Sr0.25 -","- Bi0.75 Mn O3 Sr0.25 -","- Bi6 Mn8 O24 Sr2 -","8","4","","Goff, R.J.; Attfield, J.P.","Combined powder neutron and x-ray diffraction study of charge and orbital order in Bi0.75 Sr0.25 Mn O3","Journal of Solid State Chemistry","2006","179","","1369","1374","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528543","12.0458","","12.0458","","17.501","","90","","90","","90","","2539.42","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca8.63 Sr2.37 Sb10","","- Ca8.63 Sb10 Sr2.37 -","- Ca8.6 Sb10 Sr2.4 -","- Ca34.4 Sb40 Sr9.6 -","4","0.125","","Gupta, S.; Ganguli, A.K.","Preferential occupation of alkaline-earth metal sites in a seemingly disordered solid solution of Ca(11-x) Sr(x) Sb10: Single crystal structures of Ca8.63(5) Sr2.37 Sb10 and Ca3.66(7) Sr7.34 Sb10","Journal of Solid State Chemistry","2006","179","","1924","1930","","","","","","","","","","","","","","","","","","","","","","has coordinates","150940","2020-10-21","18:00:00",""
"1528544","12.3498","","12.3498","","17.767","","90","","90","","90","","2709.78","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca3.66 Sr7.34 Sb10","","- Ca3.66 Sb10 Sr7.34 -","- Ca3.64 Sb10 Sr7.36 -","- Ca14.56 Sb40 Sr29.44 -","4","0.125","","Gupta, S.; Ganguli, A.K.","Preferential occupation of alkaline-earth metal sites in a seemingly disordered solid solution of Ca(11-x) Sr(x) Sb10: Single crystal structures of Ca8.63(5) Sr2.37 Sb10 and Ca3.66(7) Sr7.34 Sb10","Journal of Solid State Chemistry","2006","179","","1924","1930","","","","","","","","","","","","","","","","","","","","","","has coordinates","150941","2020-10-21","18:00:00",""
"1528545","8.0436","","4.8163","","8.4547","","90","","90","","90","","327.538","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr Li Sb","","- Li Sb Sr -","- Li Sb Sr -","- Li4 Sb4 Sr4 -","4","0.5","","Gupta, S.; Ganguli, A.K.","Synthesis, structure and properties of a new Zintl phase: Sr Li Sb","Journal of Solid State Chemistry","2006","179","","1318","1322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528557","6.538","","7.756","","9.131","","96.17","","107.23","","101.4","","426.647","","","","","","","","","","","","","3","P -1","-P 1","2","","Al V O4","","- Al O4 V -","- Al O4 V -","- Al6 O24 V6 -","6","3","","Hansen, M.R.; Madsen, G.K.H.; Jakobsen, H.J.; Skibsted, J.","Evaluation of 27.Al and 51.V electric field gradients and the crystal structure for aluminum orthovanadate (Al V O4) by density functional theory calculations","J. Phys. Chem. B","2006","110","","5975","5983","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528575","6.2882","","8.0459","","9.3255","","105.881","","107.202","","101.467","","412.929","","","","","","","","","","","","","5","P -1","-P 1","2","","Na0.5 Cu1.335 Fe2 (P O4)3","","- Cu1.335 Fe2 Na0.5 O12 P3 -","- Cu1.335 Fe2 Na0.5 O12 P3 -","- Cu2.67 Fe4 Na O24 P6 -","2","1","","Hidouri, M.; Lajmi, B.; Wattiaux, A.; Fournes, L.; Darriet, B.; Amara, M.B.","Crystal structure, magnetic susceptibility and Moessbauer spectroscopy of the mixed-valence iron phosphate Na1/2 Cu4/3 Fe2 (P O4)3","Journal of Solid State Chemistry","2006","179","","1808","1813","","","","","","","","","","","","","","","","","","","","","","has coordinates","151003","2020-10-21","18:00:00",""
"1528576","6.6329","","10.2397","","11.7025","","90","","96.452","","90","","789.787","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Os (C O)4 Cl2","","- C4 Cl2 O4 Os -","- C4 Cl2 O4 Os -","- C16 Cl8 O16 Os4 -","4","0.5","","Hirva, P.; Haukka, M.; Jakonen, M.; Pakkanen, T.A.","Growth of the metal framework in linear ruthenium and osmium carbonyls","Inorganica Chimica Acta","2006","359","","853","862","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528577","5.8055","","5.8055","","11.626","","90","","90","","90","","391.841","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Os (C O)4 Cl2","","- C4 Cl2 O4 Os -","- C4 Cl2 O4 Os -","- C8 Cl4 O8 Os2 -","2","0.125","","Hirva, P.; Haukka, M.; Jakonen, M.; Pakkanen, T.A.","Growth of the metal framework in linear ruthenium and osmium carbonyls","Inorganica Chimica Acta","2006","359","","853","862","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528592","6.26539","","6.26539","","10.22812","","90","","90","","120","","347.714","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Yb Ba Co4 O6.95","","- Ba Co4 O6.95 Yb -","- Ba Co4 O7 Yb -","- Ba2 Co8 O14 Yb2 -","2","0.333333","","Huq, A.; Mitchell, J.F.; Radaelli, P.G.; Zheng, H.; Chapon, L.C.; Stephens, P.W.; Knight, K.S.","Structural and magnetic properties of the Kagome antiferromagnet Yb Ba Co4 O7","Journal of Solid State Chemistry","2006","179","","1136","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528593","6.25114","","10.89335","","10.18697","","90","","90","","90","","693.69","","","","","","","","","","","","","4","P b n 21","P 2c -2ab","33","","Yb Ba Co4 O6.95","","- Ba Co4 O6.95 Yb -","- Ba Co4 O7 Yb -","- Ba4 Co16 O28 Yb4 -","4","1","","Huq, A.; Stephens, P.W.; Zheng, H.; Chapon, L.C.; Mitchell, J.F.; Knight, K.S.; Radaelli, P.G.","Structural and magnetic properties of the Kagome antiferromagnet Yb Ba Co4 O7","Journal of Solid State Chemistry","2006","179","","1136","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528596","5.5835","","5.5613","","7.887","","90","","90","","90","","244.903","","","","","","","","","","","","","6","P b n m","-P 2c 2ab","62","","(La0.89 Sr0.11) (Ga0.56 Mg0.24 Fe0.20) O2.62","","- Fe0.2 Ga0.56 La0.89 Mg0.24 O2.62 Sr0.11 -","- Fe0.2 Ga0.56 La0.89 Mg0.24 O2.62 Sr0.11 -","- Fe0.8 Ga2.24 La3.56 Mg0.96 O10.48 Sr0.44 -","4","0.5","","Ivanov, S.A.; Aleksandrovskii, V.V.; Kaleva, G.M.; Politova, E.D.; Eriksson, S.","Specific features of the structure and weight loss of aliovalent-substituted oxides based on lanthanum gallate (La, Sr) (Ga, Fe, Mg) O(3-y)","Kristallografiya","2006","51","","241","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528597","7.8106","","5.585","","5.5097","","90","","90.37","","90","","240.34","","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(La0.89 Sr0.11) (Ga0.56 Mg0.24 Fe0.20) O2.80","","- Fe0.2 Ga0.56 La0.89 Mg0.24 O2.8 Sr0.11 -","- Fe0.2 Ga0.56 La0.89 Mg0.24 O2.8 Sr0.11 -","- Fe0.8 Ga2.24 La3.56 Mg0.96 O11.2 Sr0.44 -","4","0.5","","Ivanov, S.A.; Kaleva, G.M.; Eriksson, S.; Aleksandrovskii, V.V.; Politova, E.D.","Specific features of the structure and weight loss of aliovalent-substituted oxides based on lanthanum gallate (La, Sr) (Ga, Fe, Mg) O(3-y)","Kristallografiya","2006","51","","241","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528604","12.6681","","12.6681","","12.6681","","90","","90","","90","","2032.99","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Pd13 Te3 -","- Pd13 Te3 -","- Pd104 Te24 -","8","0.0416667","","Janetzky, M.; Harbrecht, B.","Crystal growth, structure and properties of the palladium-rich telluride Pd13 Te3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","837","844","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528645","7.8074","","7.8158","","7.8977","","90","","90.136","","90","","481.925","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na La Mg W O6","","- La Mg Na O6 W -","- La Mg Na O6 W -","- La4 Mg4 Na4 O24 W4 -","4","0.5","","Knapp, M.C.; Woodward, P.M.","A-site cation ordering in A A' B B' O6 perovskites","Journal of Solid State Chemistry","2006","179","","1076","1085","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528658","9.657","","11.934","","13.868","","90","","104.14","","90","","1549.82","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Bi8 (Cr O4) O11","","- Bi8 Cr O15 -","- Bi8 Cr O15 -","- Bi32 Cr4 O60 -","4","1","","Kumada, N.; Takei, T.; Kinomura, N.; Wallez, G.","Preparation and crystal structure of a new bismuth chromate: Bi8 (Cr O4) O11","Journal of Solid State Chemistry","2006","179","","793","799","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528660","5.451","","5.5821","","7.7803","","90","","90","","90","","236.739","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Ca Mo O3 -","- Ca Mo O3 -","- Ca4 Mo4 O12 -","4","0.5","","de la Calle, C.; Alonso, J.A.; Garcia-Hernandez, M.; Pomjakushin, V.","Neutron diffraction study and magnetotransport properties of stoichiometric Ca Mo O3 perovskite prepared by a soft-chemistry route","Journal of Solid State Chemistry","2006","179","","1636","1641","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528664","3.846","","3.846","","11.5301","","90","","90","","90","","170.55","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Ir Sr2 Gd Cu2 O8","","- Cu2 Gd Ir O8 Sr2 -","- Cu2 Gd Ir O8 Sr2 -","- Cu2 Gd Ir O8 Sr2 -","1","0.0625","","dos Santos-Garcia, A.J.; Aguirre, M.H.; Moran, E.; Saez-Puche, R.; Alario-Franco, M.A.","A novel ferrimagnetic irido-cuprate: Ir Sr2 Gd Cu2 O8","Journal of Solid State Chemistry","2006","179","","1296","1302","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528665","9.071","","11.813","","13.659","","90","","101.41","","90","","1434.71","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Sr (Pb Cl3)2 (H2 O)5","","- Cl6 H10 O5 Pb2 Sr -","- Cl6 H10 O5 Pb2 Sr -","- Cl24 H40 O20 Pb8 Sr4 -","4","0.5","","Abraham, I.; Benoit, D.M.; Demetriou, D.Z.; Mustarde, K.; Vordemvenne, E.","Lone pair effects in trihalo-stannate and -plumbate anions in the crystal structures of Sr(MX3)(2) center dot 5H(2)O(M = Sn, X = Cl, Br; M = Pb, X = Br)","Polyhedron","2006","25","","996","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528666","5.59656","","5.58147","","20.5643","","90","","90.007","","90","","642.368","","","","","","","","","","","","","5","P -1","-P 1","2","","Pr2 Ba Li Ru O7","","- Ba Li O7 Pr2 Ru -","- Ba0.5 Li0.5 O3.5 Pr Ru0.5 -","- Ba2 Li2 O14 Pr4 Ru2 -","4","2","","Battle, P.D.; Grey, C.P.; Rodgers, J.A.; Sloan, J.","Structural chemistry of Ln2 Ba Li Ru O7 (Ln = La, Pr)","Solid State Sciences","2006","8","","280","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528667","5.5957","","5.5894","","20.8326","","90","","89.984","","90","","651.573","","","","","","","","","","","","","5","P -1","-P 1","2","","La2 Ba Li Ru O7","","- Ba La2 Li O7 Ru -","- Ba0.5 La Li0.4995 O3.5 Ru0.5005 -","- Ba2 La4 Li1.998 O14 Ru2.002 -","4","2","","Battle, P.D.; Grey, C.P.; Rodgers, J.A.; Sloan, J.","Structural chemistry of Ln2 Ba Li Ru O7 (Ln = La, Pr)","Solid State Sciences","2006","8","","280","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528670","4.2775","","4.2775","","9.3653","","90","","90","","120","","148.399","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","Li Zn Ge","","- Ge Li Zn -","- Ge Li Zn -","- Ge3 Li3 Zn3 -","3","0.25","","Lacroix-Orio, L.; Tillard, M.; Belin, C.","Synthesis, crystal and electronic structure of Li8 Zn2 Ge3, a compound displaying an open layered anionic network","Solid State Sciences","2006","8","","208","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528671","7.555","","7.555","","24.449","","90","","90","","120","","1208.54","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Li8 Zn2 Ge3","","- Ge3 Li8 Zn2 -","- Ge3 Li8 Zn2 -","- Ge18 Li48 Zn12 -","6","0.333333","","Lacroix-Orio, L.; Tillard, M.; Belin, C.","Synthesis, crystal and electronic structure of Li8 Zn2 Ge3, a compound displaying an open layered anionic network","Solid State Sciences","2006","8","","208","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","151201","2020-10-21","18:00:00",""
"1528672","6.1136","","6.1136","","6.1136","","90","","90","","90","","228.503","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Li2 Zn Ge","","- Ge Li2 Zn -","- Ge Li2 Zn -","- Ge4 Li8 Zn4 -","4","0.0416667","","Lacroix-Orio, L.; Tillard, M.; Belin, C.","Synthesis, crystal and electronic structure of Li8 Zn2 Ge3, a compound displaying an open layered anionic network","Solid State Sciences","2006","8","","208","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528679","5.556","","3.7627","","7.056","","90","","101.36","","90","","144.62","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ca Al2 O4","","- Al2 Ca O4 -","- Al2 Ca O4 -","- Al4 Ca2 O8 -","2","0.5","","Lazic, B.; Kahlenberg, V.; Konzett, J.; Kaindl, R.","On the polymorphism of Ca Al2 O4 - structural investigations of two high pressure modifications","Solid State Sciences","2006","8","","589","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528680","8.92004","","10.3155","","2.87129","","90","","90","","90","","264.201","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Ca Al2 O4","","- Al2 Ca O4 -","- Al2 Ca O4 -","- Al8 Ca4 O16 -","4","0.5","","Lazic, B.; Konzett, J.; Kahlenberg, V.; Kaindl, R.","On the polymorphism of Ca Al2 O4 - structural investigations of two high pressure modifications","Solid State Sciences","2006","8","","589","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528681","6.9801","","13.389","","14.2348","","90","","90","","90","","1330.33","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K6 (V O)2 (V2 O3)2 (P O4)4 (P2 O7)","","- K6 O31 P6 V6 -","- K6 O31 P6 V6 -","- K12 O62 P12 V12 -","2","0.25","","Leclaire, A.; Raveau, B.","The actual structure of K6 (V O)2 (V2 O3)2 (P O4)4 (P2 O7): Ordered distribution of P2 O7 groups and charge ordering of vanadium","Journal of Solid State Chemistry","2006","179","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","151224","2020-10-21","18:00:00",""
"1528682","31.721","","12.931","","12.905","","90","","90","","90","","5293.43","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Pb (Pb O) Br (Mo O)2 (P O4)3","","- Br Mo2 O15 P3 Pb2 -","- Br Mo2 O15 P3 Pb2 -","- Br16 Mo32 O240 P48 Pb32 -","16","1","","Leclaire, A.","A novel Mo(V) monophosphate with bromine and mixed valent lead and a Pb=O double bond: Pb(2+) (Pb(4+) O) Br (Mo(5+) O)2 (P O4)3","Solid State Sciences","2006","8","","660","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528683","8.8977","","9.9956","","24.212","","90","","97.816","","90","","2133.36","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cd5 Mo2 (P2 O7)4","","- Cd5 Mo2 O28 P8 -","- Cd5 Mo2 O28 P8 -","- Cd20 Mo8 O112 P32 -","4","0.5","","Leclaire, A.; Raveau, B.","A new Mo(III) cadmium diphosphate Cd5 Mo2 (P2 O7)4","Solid State Sciences","2006","8","","332","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","151226","2020-10-21","18:00:00",""
"1528684","18.7555","","22.5419","","23.7793","","112.543","","96.996","","104.136","","8739.82","","","","","","","","","","","","","5","P -1","-P 1","2","","K13 Li3 (K2 Li2 H8 Si4 W36 O130) (H2 O)49.75","","- K12 Li O179.75 Si4 W36 -","- K12 Li O179.75 Si4 W36 -","- K24 Li2 O359.5 Si8 W72 -","2","1","","Leclerc-Laronze, N.; Marrot, J.; Haouas, M.; Taulelle, F.; Herve, G.","Step-by-step assembly of trivacant tungstosilicates: synthesis and characterization of tetrameric anions","Angewandte Chemie (Edition international)","2006","45","","139","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528689","5.09227","","5.09227","","14.04","","90","","90","","120","","315.298","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(Zn0.333 Mn0.37 Mg0.3) Ti O3","","- Mg0.3 Mn0.37 O3 Ti Zn0.333 -","- Mg0.3 Mn0.37 O3 Ti Zn0.33 -","- Mg1.8 Mn2.22 O18 Ti6 Zn1.98 -","6","0.333333","","Liferovich, R.P.; Mitchell, R.H.","Mn, Mg, and Zn ilmenite group titanates: a reconnaissance Rietveld study","Kristallografiya","2006","51","","417","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528690","5.06683","","5.06683","","13.9224","","90","","90","","120","","309.54","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Zn0.54 Mg0.46) Ti O3","","- Mg0.46 O3 Ti Zn0.54 -","- Mg0.46 O3 Ti Zn0.54 -","- Mg2.76 O18 Ti6 Zn3.24 -","6","0.333333","","Liferovich, R.P.; Mitchell, R.H.","Mn, Mg, and Zn ilmenite group titanates: a reconnaissance Rietveld study","Kristallografiya","2006","51","","417","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528691","7.6547","","7.6547","","15.3542","","90","","90","","90","","899.671","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr0.75 Y0.25 Co0.75 Ga0.25 O2.625","","- Co0.75 Ga0.25 O2.625 Sr0.75 Y0.25 -","- Co0.761 Ga0.239 O2.625 Sr0.75 Y0.25 -","- Co12.176 Ga3.824 O42 Sr12 Y4 -","16","0.5","","Lindberg, F.; Svedlindh, P.; Istomin, S.Ya.; Drozhzhin, O.A.; Svensson, G.; Mellergard, A.; Kaynak, F.B.; Warnicke, P.; Wannberg, A.; Antipov, E.V.","Synthesis and characterization of Sr0.75 Y0.25 Co(1-x) M(x) O(2.625+delta)","Journal of Solid State Chemistry","2006","179","","1434","1444","","","","","","","","","","","","","","","","","","","","","","has coordinates","151268","2020-10-21","18:00:00",""
"1528692","7.6819","","7.6819","","15.3822","","90","","90","","90","","907.728","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr0.75 Y0.25 Co0.5 Fe0.5 O2.7","","- Co0.5 Fe0.5 O2.7 Sr0.75 Y0.25 -","- Co0.4905 Fe0.5095 O2.7 Sr0.75 Y0.25 -","- Co7.848 Fe8.152 O43.2 Sr12 Y4 -","16","0.5","","Lindberg, F.; Drozhzhin, O.A.; Warnicke, P.; Kaynak, F.B.; Istomin, S.Ya.; Svensson, G.; Svedlindh, P.; Wannberg, A.; Mellergard, A.; Antipov, E.V.","Synthesis and characterization of Sr0.75 Y0.25 Co(1-x) M(x) O(2.625+delta)","Journal of Solid State Chemistry","2006","179","","1434","1444","","","","","","","","","","","","","","","","","","","","","","has coordinates","151269","2020-10-21","18:00:00",""
"1528697","8.108","","4.944","","9.17","","90","","90","","90","","367.588","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Sr Si","","- Ca Si Sr -","- Ca Si Sr -","- Ca4 Si4 Sr4 -","4","0.5","","Liu, S.; Corbett, J.D.","Synthesis, structure, and properties of four ternary compounds Ca Sr Tt, Tt = Si, Ge, Sn, Pb","Journal of Solid State Chemistry","2006","179","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528698","8.124","","4.949","","9.184","","90","","90","","90","","369.249","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Sr Ge","","- Ca Ge Sr -","- Ca Ge Sr -","- Ca4 Ge4 Sr4 -","4","0.5","","Liu, S.; Corbett, J.D.","Synthesis, structure, and properties of four ternary compounds Ca Sr Tt, Tt = Si, Ge, Sn, Pb","Journal of Solid State Chemistry","2006","179","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528699","8.421","","5.168","","9.685","","90","","90","","90","","421.489","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Sr Sn","","- Ca Sn Sr -","- Ca Sn Sr -","- Ca4 Sn4 Sr4 -","4","0.5","","Liu, S.; Corbett, J.D.","Synthesis, structure, and properties of four ternary compounds Ca Sr Tt, Tt = Si, Ge, Sn, Pb","Journal of Solid State Chemistry","2006","179","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528700","8.509","","5.189","","9.74","","90","","90","","90","","430.052","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca Sr Pb","","- Ca Pb Sr -","- Ca Pb Sr -","- Ca4 Pb4 Sr4 -","4","0.5","","Liu, S.; Corbett, J.D.","Synthesis, structure, and properties of four ternary compounds Ca Sr Tt, Tt = Si, Ge, Sn, Pb","Journal of Solid State Chemistry","2006","179","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528721","7.13952","","7.13952","","7.13952","","90","","90","","90","","363.921","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","La2 Mo0.5 W1.5 O9","","- La2 Mo0.5 O9 W1.5 -","- La2 Mo0.5 O8.84 W1.5 -","- La4 Mo O17.68 W3 -","2","0.166667","","Marrero-Lopez, D.; Canales-Vazquez, J.; Irvine, J.T.S.; Zhou Wuzong; Nunez, P.","Structural studies on W(6+) and Nd(3+) substituted La2 Mo2 O9 materials","Journal of Solid State Chemistry","2006","179","","278","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","151324","2020-10-21","18:00:00",""
"1528730","5.533997","","5.49983","","16.55071","","90","","90","","90","","503.738","","","","","","","","","","","","","3","B 2 c b","B -2ab 2","41","","Bi2 (W O6)","","- Bi2 O6 W -","- Bi2 O6 W -","- Bi8 O24 W4 -","4","","","McDowell, N.A.; Knight, K.S.; Lightfoot, P.","Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6","Chemistry - A European Journal","2006","12","","1493","1499","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528731","8.37422","","3.854296","","16.44044","","90","","102.334","","90","","518.396","","","","","","","","","","","","","3","A 1 2/m 1","-A 2y","12","","Bi2 W O6","","- Bi2 O6 W -","- Bi2 O6 W -","- Bi8 O24 W4 -","4","0.5","","McDowell, N.A.; Knight, K.S.; Lightfoot, P.","Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6","Chemistry - A European Journal","2006","12","","1493","1499","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528744","10.2145","","10.2145","","10.2145","","90","","90","","90","","1065.74","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tl2 Ru2 O7","","- O7 Ru2 Tl2 -","- O7 Ru2 Tl2 -","- O56 Ru16 Tl16 -","8","0.0416667","","Mori, D.; Sonoyama, N.; Yamada, A; Kanno, R.; Azuma, M.; Suda, K.; Takano, M.; Ishizawa, N.","Single-crystal growth of Tl2 Ru2 O7 pyrochlore using high-pressure and flux methode","Journal of Solid State Chemistry","2006","179","","935","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","151372","2020-10-21","18:00:00",""
"1528746","3.956","","3.956","","8.659","","90","","90","","90","","135.513","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Sr Cu F S","","- Cu F S Sr -","- Cu F S Sr -","- Cu2 F2 S2 Sr2 -","2","0.125","","Motomitsu, E.; Yanagi, H.; Kamiya, T.; Hirano, M.; Hosono, H.","Synthesis, structure and physical properties of layered semiconductors M Cu F Ch (M=Sr, Eu, Ch=S, Se)","Journal of Solid State Chemistry","2006","179","","1668","1673","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528747","3.949","","3.949","","8.642","","90","","90","","90","","134.769","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Eu Cu F S","","- Cu Eu F S -","- Cu Eu F S -","- Cu2 Eu2 F2 S2 -","2","0.125","","Motomitsu, E.; Yanagi, H.; Kamiya, T.; Hirano, M.; Hosono, H.","Synthesis, structure and physical properties of layered semiconductors M Cu F Ch (M=Sr, Eu, Ch=S, Se)","Journal of Solid State Chemistry","2006","179","","1668","1673","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528748","4.063","","4.063","","8.842","","90","","90","","90","","145.963","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Sr Cu F Se","","- Cu F Se Sr -","- Cu F Se Sr -","- Cu2 F2 Se2 Sr2 -","2","0.125","","Motomitsu, E.; Yanagi, H.; Hosono, H.; Kamiya, T.; Hirano, M.","Synthesis, structure and physical properties of layered semiconductors M Cu F Ch (M=Sr, Eu, Ch=S, Se)","Journal of Solid State Chemistry","2006","179","","1668","1673","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528749","4.057","","4.057","","8.815","","90","","90","","90","","145.088","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Eu Cu F Se","","- Cu Eu F Se -","- Cu Eu F Se -","- Cu2 Eu2 F2 Se2 -","2","0.125","","Motomitsu, E.; Yanagi, H.; Kamiya, T.; Hosono, H.; Hirano, M.","Synthesis, structure and physical properties of layered semiconductors M Cu F Ch (M=Sr, Eu, Ch=S, Se)","Journal of Solid State Chemistry","2006","179","","1668","1673","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528762","3.7039","","3.7039","","12.0883","","90","","90","","90","","165.838","","","","","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","D Nd Ti O4","","- D Nd O4 Ti -","- D Nd O4 Ti -","- D2 Nd2 O8 Ti2 -","2","0.125","","Nishimoto, S.; Ishigaki, T.; Harjo, S.; Matsuda, M.; Kamiyama, T.; Hoshikawa, A.; Miyake, M.","Structural change in a series of protonated layered perovskite compounds, H Ln Ti O4 (Ln = La, Nd and Y)","Journal of Solid State Chemistry","2006","179","","1892","1897","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528763","11.46","","5.292","","5.3628","","90","","90.441","","90","","325.224","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","D Y (Ti O4)","","- D O4 Ti Y -","- D0.999 O4 Ti Y -","- D3.996 O16 Ti4 Y4 -","4","1","","Nishimoto, S.; Hoshikawa, A.; Harjo, S.; Matsuda, M.; Kamiyama, T.; Ishigaki, T.; Miyake, M.","Structural change in a series of protonated layered perovskite compounds, H Ln Ti O4 (Ln= La, Nd and Y)","Journal of Solid State Chemistry","2006","179","","1892","1897","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528764","4.3251","","4.3251","","5.3376","","90","","90","","120","","86.471","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","(Sn0.51 Sb0.49)","","- Sb0.49 Sn0.51 -","- Sb0.49 Sn0.51 -","- Sb1.47 Sn1.53 -","3","0.0833333","","Noren, L.; Schmid, S.; Withers, R.L.; Brink, F.J.; Ting, V.","Old friends in a new light: ""Sb Sn"" revisited","Journal of Solid State Chemistry","2006","179","","404","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","151416","2020-10-21","18:00:00",""
"1528769","5.7931","","5.7931","","11.16383","","90","","90","","90","","374.658","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Cu0.97 Cd0.06 In0.97 Se2","","- Cd0.06 Cu0.97 In0.97 Se2 -","- Cd0.043 Cu0.977 In0.98 Se2 -","- Cd0.172 Cu3.908 In3.92 Se8 -","4","0.25","","Olekseyuk, I.D.; Parasyuk, O.V.; Piskach, L.V.; Dzham, O.A.","The reciprocal Cu In Se2 + 2Cd Se = Cu In Se2 + 2 Cd S system. Part I. The quasi-binary Cu In Se2 - Cd Se system: Phase diagram and crystal structure of solid solutions","Journal of Solid State Chemistry","2006","179","","315","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","151429","2020-10-21","18:00:00",""
"1528770","5.8678","","5.8678","","5.8678","","90","","90","","90","","202.035","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu1.5 Cd In1.5 Se4","","- Cd Cu1.5 In1.5 Se4 -","- Cd Cu1.5 In1.5 Se4 -","- Cd Cu1.5 In1.5 Se4 -","1","0.0104167","","Olekseyuk, I.D.; Dzham, O.A.; Parasyuk, O.V.; Piskach, L.V.","The reciprocal Cu In Se2 + 2Cd Se = Cu In Se2 + 2 Cd S system. Part I. The quasi-binary Cu In Se2 - Cd Se system: Phase diagram and crystal structure of solid solutions","Journal of Solid State Chemistry","2006","179","","315","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528771","5.9598","","5.9598","","5.9598","","90","","90","","90","","211.687","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu0.93 Cd2.15 In0.93 Se4","","- Cd2.15 Cu0.93 In0.93 Se4 -","- Cd2.152 Cu0.908 In0.904 Se4 -","- Cd2.152 Cu0.908 In0.904 Se4 -","1","0.0104167","","Olekseyuk, I.D.; Dzham, O.A.; Parasyuk, O.V.; Piskach, L.V.","The reciprocal Cu In Se2 + 2Cd Se = Cu In Se2 + 2 Cd S system. Part I. The quasi-binary Cu In Se2 - Cd Se system: Phase diagram and crystal structure of solid solutions","Journal of Solid State Chemistry","2006","179","","315","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","151431","2020-10-21","18:00:00",""
"1528772","4.2613","","4.2613","","69.59","","90","","90","","120","","1094.36","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Cu0.09 Cd0.82 In0.09 Se","","- Cd0.82 Cu0.09 In0.09 Se -","- Cd0.798 Cu0.095 In0.102 Se -","- Cd1.596 Cu0.19 In0.204 Se2 -","2","0.166667","","Olekseyuk, I.D.; Parasyuk, O.V.; Dzham, O.A.; Piskach, L.V.","The reciprocal Cu In Se2 + 2Cd Se = Cu In Se2 + 2 Cd S system. Part I. The quasi-binary Cu In Se2 - Cd Se system: Phase diagram and crystal structure of solid solutions","Journal of Solid State Chemistry","2006","179","","315","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528778","12.1904","","3.7485","","5.5296","","90","","107.039","","90","","241.588","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ti O2","","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","1","","Ouhenia, S.; Belkhir, M.A.; Samah, M.","Structure of beta - Ti O2","Private Communication","2006","1","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528799","8.545","","11.447","","13.313","","90","","90.1","","90","","1302.2","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","((C H3)2 N H2)2 (Co Cl4)","","- C4 H16 Cl4 Co N2 -","- C4 Cl4 Co N2 -","- C16 Cl16 Co4 N8 -","4","1","","Pietraszko, A.; Sheleg, A.U.; Kirpichnikova, L.F.; Yachkovsky, A.Y.","Structural study of [(C H3)2 N H2]2 Co Cl4 single crystals at room temperature","Kristallografiya","2006","51","","41","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528809","14.134","","14.134","","30.178","","90","","90","","120","","5220.97","","","","","","","","","","","","","13","R 3 :H","R 3","146","","Na13.56 K0.18 Ca2.4 Mn3.51 Fe1.2 Ce0.57 Zr3 Ti0.06 Nb0.43 Si0.46 O2.07 (O H).49 Cl0.35 (H2 O)1.2","","- Ca2.4 Ce0.57 Cl0.35 Fe1.2 H2.89 K0.18 Mn3.51 Na13.56 Nb0.43 O3.76 Si0.46 Ti0.06 Zr3 -","- Ca2.4 Ce0.57 Cl0.35 Fe1.2 K0.18 Mn3.51 Na13.56 Nb0.43 O3.76 Si0.46 Ti0.06 Zr3 -","- Ca7.2 Ce1.71 Cl1.05 Fe3.6 K0.54 Mn10.53 Na40.68 Nb1.29 O11.28 Si1.38 Ti0.18 Zr9 -","3","0.333333","","Rastsvetaeva, R.K.; Rozenberg, K.A.; Moeckel, S.; Chukanov, N.V.; Pekov, I.V.","Crystal structures of two new low-symmetry calcium-deficient analogs of eudialyte","Kristallografiya","2006","51","","235","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528810","14.192","","14.192","","30.17","","90","","90","","120","","5262.51","","","","","","","","","","","","","16","R 3 :H","R 3","146","","Na15.66 K0.21 Ca3 Sr0.36 Y0.09 Mn1.44 Fe1.44 Ce0.33 Zr3.54 Ti0.21 Nb0.27 Si0.9 O2.34 (O H).90 Cl0.53 F0.66 (H2 O)0.86","","- Ca3 Ce0.33 Cl0.53 F0.66 Fe1.44 H2.62 K0.21 Mn1.44 Na15.66 Nb0.27 O4.1 Si0.9 Sr0.36 Ti0.21 Y0.09 Zr3.54 -","- Ca3 Ce0.33 Cl0.53 F0.66 Fe1.44 K0.21 Mn1.44 Na15.66 Nb0.27 O4.1 Si0.9 Sr0.36 Ti0.21 Y0.09 Zr3.54 -","- Ca9 Ce0.99 Cl1.59 F1.98 Fe4.32 K0.63 Mn4.32 Na46.98 Nb0.81 O12.3 Si2.7 Sr1.08 Ti0.63 Y0.27 Zr10.62 -","3","0.333333","","Rastsvetaeva, R.K.; Rozenberg, K.A.; Moeckel, S.; Chukanov, N.V.; Pekov, I.V.","Crystal structures of two new low-symmetry calcium-deficient analogs of eudialyte","Kristallografiya","2006","51","","235","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528814","5.6201","","5.6343","","7.9375","","90","","89.99","","90","","251.344","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr2 Fe Ta O6","","- Fe O6 Sr2 Ta -","- Fe O6 Sr2 Ta -","- Fe2 O12 Sr4 Ta2 -","2","0.5","","Rautama. E.-L.; Chan, T.S.; Chen, J.M.; Liu, R.S.; Karppinen, M.; Yamauchi, H.","Electron-doping through La(III)-for-Sr(II) substitution in (Sr(1-x) Lax)2 Fe Ta O6: Effects on the valences and ordering of the B-site cations, Fe and Ta","Journal of Solid State Chemistry","2006","179","","111","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528815","5.6199","","5.6416","","7.9365","","90","","89.98","","90","","251.629","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Sr0.9 La0.1)2 Fe Ta O6","","- Fe La0.2 O6 Sr1.8 Ta -","- Fe La0.2 O6 Sr1.8 Ta -","- Fe2 La0.4 O12 Sr3.6 Ta2 -","2","0.5","","Rautama. E.-L.; Chan, T.S.; Karppinen, M.; Liu, R.S.; Chen, J.M.; Yamauchi, H.","Electron-doping through La(III)-for-Sr(II) substitution in (Sr(1-x) Lax)2 Fe Ta O6: Effects on the valences and ordering of the B-site cations, Fe and Ta","Journal of Solid State Chemistry","2006","179","","111","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528816","5.6206","","5.6445","","7.9381","","90","","89.97","","90","","251.84","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Sr0.8 La0.2)2 Fe Ta O6","","- Fe La0.4 O6 Sr1.6 Ta -","- Fe La0.4 O6 Sr1.6 Ta -","- Fe2 La0.8 O12 Sr3.2 Ta2 -","2","0.5","","Rautama. E.-L.; Chan, T.S.; Liu, R.S.; Chen, J.M.; Karppinen, M.; Yamauchi, H.","Electron-doping through La(III)-for-Sr(II) substitution in (Sr(1-x) Lax)2 Fe Ta O6: Effects on the valences and ordering of the B-site cations, Fe and Ta","Journal of Solid State Chemistry","2006","179","","111","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528817","5.6235","","5.6448","","7.936","","90","","89.98","","90","","251.917","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Sr0.7 La0.3)2 Fe Ta O6","","- Fe La0.6 O6 Sr1.4 Ta -","- Fe La0.6 O6 Sr1.4 Ta -","- Fe2 La1.2 O12 Sr2.8 Ta2 -","2","0.5","","Rautama. E.-L.; Chan, T.S.; Liu, R.S.; Chen, J.M.; Karppinen, M.; Yamauchi, H.","Electron-doping through La(III)-for-Sr(II) substitution in (Sr(1-x) Lax)2 Fe Ta O6: Effects on the valences and ordering of the B-site cations, Fe and Ta","Journal of Solid State Chemistry","2006","179","","111","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528819","9.2737","","2.8215","","11.1701","","90","","90","","90","","292.274","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na Ru2 O4","","- Na O4 Ru2 -","- Na O4 Ru2 -","- Na4 O16 Ru8 -","4","0.5","","Regan, K.A.; Ramirez, A.P.; Huang, Q.; Lee, M.; Cava, J.R.","Structure and magnetism of Na Ru2 O4 and Na2.7 Ru4 O9","Journal of Solid State Chemistry","2006","179","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528820","23.246","","2.8411","","11.0394","","90","","104.766","","90","","705.01","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Na2.73 Ru4 O9","","- Na2.73 O9 Ru4 -","- Na2.73 O9 Ru4 -","- Na10.92 O36 Ru16 -","4","0.5","","Regan, K.A.; Lee, M.; Huang, Q.; Ramirez, A.P.; Cava, J.R.","Structure and magnetism of Na Ru2 O4 and Na2.7 Ru4 O9","Journal of Solid State Chemistry","2006","179","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","151534","2020-10-21","18:00:00",""
"1528846","9.6835","","7.7359","","7.9564","","90","","95.94","","90","","592.818","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K2 (Cr F5) (H2 O)","","- Cr F5 H2 K2 O -","- Cr F5 H2 K2 O -","- Cr4 F20 H8 K8 O4 -","4","0.5","","Sassoye, C.; de Kozak, A.","Crystal structure and thermal behaviour of K2 [Cr F5 . H2 O]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","445","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528859","5.7827","","5.7827","","14.2509","","90","","90","","120","","412.7","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Zr Ru2 O9","","- Ba3 O9 Ru2 Zr -","- Ba3 O9 Ru2 Zr -","- Ba6 O18 Ru4 Zr2 -","2","0.0833333","","Schuepp-Niewa, B.; Prots', Yu.; Shlyk, L.; Niewa, R.; Krabbes, G.","Crystal structure of Ba3 Zr Ru2 O9 - a new 6H-(cch)2 perovskite","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","572","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528872","5.7155","","5.7155","","13.951","","90","","90","","120","","394.679","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba2 (Cr Mo O6)","","- Ba2 Cr Mo O6 -","- Ba2 Cr1.00667 Mo0.993333 O6 -","- Ba6 Cr3.02 Mo2.98 O18 -","3","0.125","","Sher, F.; Attfield, J.P.","Synthesis, structure and magnetic properties of Ba2 Cr Mo O6","Solid State Sciences","2006","8","","277","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528881","12.745","","12.745","","5.18","","90","","90","","120","","728.685","","","","","","","","","","","","","7","P 63","P 6c","173","","(Na0.5 Ca0.5)2 Na6 (Al6 Si6 O24) (B O3) (H2 O)2","","- Al6 B Ca H4 Na7 O29 Si6 -","- Al6 B Ca H4.0002 Na7 O28.9998 Si6 -","- Al6 B Ca H4.0002 Na7 O28.9998 Si6 -","1","0.166667","","Shirinova, A.F.; Samedov, H.R.; Khrustalev, V.N.; Chiragov, M.I.","Hydrothermal synthesis and the crystal structure of borate cancrinite (Na, Ca) (Na6 (Al Si O4)6) (B O3) . 2H2 O","Kristallografiya","2006","51","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528889","6.174","","10.75","","11.852","","90","","90.51","","90","","786.592","","","","","","","","","","","","","3","I 1 a 1","I -2ya","9","","Na3 Fe O3","","- Fe Na3 O3 -","- Fe Na3 O3 -","- Fe8 Na24 O24 -","8","2","","Sofin, M.; Jansen, M.","Synthesis, crystal structure and magnetic properties of beta-Na3 Fe O3","Solid State Sciences","2006","8","","19","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528892","8.205","","10.506","","4.146","","90","","109.58","","90","","336.726","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(N H4)2 C4 O4","","- C4 H8 N2 O4 -","- C4 H8 N2 O4 -","- C8 H16 N4 O8 -","2","0.25","","Stein, I.; Naether, C.; Ruschewitz, U.","(N H4)2 (C4 O4), an anhydrous alt of acetylenedicarboxylic acid","Solid State Sciences","2006","8","","353","358","","","","","","","","","","","","","","","","","","","","","","has coordinates","151687","2020-10-21","18:00:00",""
"1528919","9.602","","9.602","","9.602","","90","","90","","90","","885.289","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ce3 Co4 Sn13 -","- Ce3 Co4 Sn13 -","- Ce6 Co8 Sn26 -","2","0.0416667","","Thomas, E.L.; Lee Han-Oh; Bankston, A.N.; MaQuilon, S.; Moldovan, M.; Klavins, P.; Young, D.P.; Fisk, Z.; Chan, J.Y.","Crystal growth, transport, and magnetic properties of Ln3 Co4 Sn13 (Ln = La, Ce) with a perovskite-like structure","Journal of Solid State Chemistry","2006","179","","1642","1649","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528920","9.643","","9.643","","9.643","","90","","90","","90","","896.678","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","La3 Co4 Sn13","","- Co4 La3 Sn13 -","- Co4 La3 Sn13 -","- Co8 La6 Sn26 -","2","0.0416667","","Thomas, E.L.; Bankston, A.N.; Lee Han-Oh; Klavins, P.; MaQuilon, S.; Moldovan, M.; Fisk, Z.; Young, D.P.; Chan, J.Y.","Crystal growth, transport, and magnetic properties of Ln3 Co4 Sn13 (Ln = La, Ce) with a perovskite-like structure","Journal of Solid State Chemistry","2006","179","","1642","1649","","","","","","","","","","","","","","","","","","","","","","has coordinates","151766","2020-10-21","18:00:00",""
"1528927","8.2819","","8.2819","","8.2819","","90","","90","","90","","568.054","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba2 In Nb O6 -","- Ba2 In Nb O6 -","- Ba8 In4 Nb4 O24 -","4","0.0208333","","Ting, V.; Liu, Y.; James, M.; Noren, L.; Withers, R.L.; Fitz Gerald, J.D.","A structure and phase analysis investigation of the 1:1 ordered A2 In Nb O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))","Journal of Solid State Chemistry","2006","179","","551","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528928","5.7351","","5.7416","","8.1102","","90","","89.995","","90","","267.058","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr2 In Nb O6","","- In Nb O6 Sr2 -","- In Nb O6 Sr2 -","- In2 Nb2 O12 Sr4 -","2","0.5","","Ting, V.; Liu, Y.; Noren, L.; Withers, R.L.; James, M.; Fitz Gerald, J.D.","A structure and phase analysis investigation of the 1:1 ordered A2 In Nb O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))","Journal of Solid State Chemistry","2006","179","","551","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528929","5.5292","","5.7068","","7.9216","","90","","89.9243","","90","","249.958","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ca2 ((Ca0.08 In0.88 Nb0.04) Nb) O6","","- Ca2.08 In0.88 Nb1.04 O6 -","- Ca2.08 In0.88 Nb1.04 O6 -","- Ca4.16 In1.76 Nb2.08 O12 -","2","0.5","","Ting, V.; Liu, Y.; Withers, R.L.; Noren, L.; Fitz Gerald, J.D.; James, M.","A structure and phase analysis investigation of the 1:1 ordered A2 In Nb O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))","Journal of Solid State Chemistry","2006","179","","551","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528930","5.5477","","5.747","","7.9714","","90","","89.958","","90","","254.149","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ca2 ((Ca0.5 In0.25 Nb0.25) Nb) O6","","- Ca2.5 In0.25 Nb1.25 O6 -","- Ca2.5 In0.25 Nb1.25 O6 -","- Ca5 In0.5 Nb2.5 O12 -","2","0.5","","Ting, V.; Liu, Y.; Fitz Gerald, J.D.; Withers, R.L.; Noren, L.; James, M.","A structure and phase analysis investigation of the 1:1 ordered A2 In Nb O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))","Journal of Solid State Chemistry","2006","179","","551","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528931","4.21038","","35.8075","","4.14023","","90","","90","","90","","624.194","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Sm4 Ga5.24 Ge5.76","","- Ga5.24 Ge5.76 Sm4 -","- Ga5.24 Ge5.76 Sm4 -","- Ga10.48 Ge11.52 Sm8 -","2","0.125","","Tokaychuk, Y.O.; Filinchuk, Y.E.; Fedorchuk, A.O.; Kozlov, A.Yu.; Mokra, I.R.","New representatives of the linear structure series containing empty Ga/Ge cubes in the Sm-Ga-Ge system","Journal of Solid State Chemistry","2006","179","","1323","1329","","","","","","","","","","","","","","","","","","","","","","has coordinates","151783","2020-10-21","18:00:00",""
"1528934","4.279","","4.279","","8.737","","90","","90","","90","","159.973","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","U Sn0.52 Sb1.48","","- Sb1.48 Sn0.52 U -","- Sb1.48 Sn0.52 U -","- Sb2.96 Sn1.04 U2 -","2","0.125","","Tran, V.H.; Bukowski, Z.; Stepien-Damm, Yu.; Troc, R.","Antiferromagnetic ordering with an anisotropy reversal in U Sn0.5 Sb1.5","Journal of Solid State Chemistry","2006","179","","1401","1406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528954","3.9261","","3.6889","","20.6779","","90","","90","","90","","299.478","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Sr3 Co2 O5.914","","- Co2 O5.914 Sr3 -","- Co2 O5.914 Sr3 -","- Co4 O11.828 Sr6 -","2","0.125","","Viciu, L.; Zandbergen, H.W.; Xu, Q.; Huang, Q.; Cava, R.J.; Lee, M.","Structure and magnetic properties of the orthorhombic n=2 Ruddlesden-Popper phases Sr3 Co2 O(5+delta) (delta=0.91, 0.64 and 0.38)","Journal of Solid State Chemistry","2006","179","","500","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","151826","2020-10-21","18:00:00",""
"1528955","3.9442","","3.6687","","20.681","","90","","90","","90","","299.256","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Sr3 Co2 O5.64","","- Co2 O5.64 Sr3 -","- Co2 O5.64 Sr3 -","- Co4 O11.28 Sr6 -","2","0.125","","Viciu, L.; Cava, R.J.; Xu, Q.; Zandbergen, H.W.; Huang, Q.; Lee, M.","Structure and magnetic properties of the orthorhombic n=2 Ruddlesden-Popper phases Sr3 Co2 O(5+delta) (delta=0.91, 0.64 and 0.38)","Journal of Solid State Chemistry","2006","179","","500","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","151827","2020-10-21","18:00:00",""
"1528956","3.9721","","3.6753","","20.573","","90","","90","","90","","300.338","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Sr3 Co2 O5.38","","- Co2 O5.38 Sr3 -","- Co2 O5.38 Sr3 -","- Co4 O10.76 Sr6 -","2","0.125","","Viciu, L.; Zandbergen, H.W.; Xu, Q.; Lee, M.; Huang, Q.; Cava, R.J.","Structure and magnetic properties of the orthorhombic n=2 Ruddlesden-Popper phases Sr3 Co2 O(5+delta) (delta=0.91, 0.64 and 0.38)","Journal of Solid State Chemistry","2006","179","","500","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","151828","2020-10-21","18:00:00",""
"1528977","2.9149","","2.9149","","24.092","","90","","90","","120","","177.276","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ag2 Ni O2 -","- Ag2 Ni O2 -","- Ag6 Ni3 O6 -","3","0.0833333","","Wedig, U.; Nuss, J.; Adler, P.; Modrow, H.; Jansen, M.","Studies on the electronic structure of Ag2 Ni O2, an intercalated delafossite containing subvalent silver","Solid State Sciences","2006","8","","753","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528983","10.38175","","10.38175","","10.38175","","90","","90","","90","","1118.95","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Zr0.5 W1.5 O6","","- Cs O6 W1.5 Zr0.5 -","- Cs O6 W1.5 Zr0.5 -","- Cs8 O48 W12 Zr4 -","8","0.0416667","","Whittle, K.R.; Ashbrook, S.E.; Lumpkin, G.R.","Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores","Journal of Solid State Chemistry","2006","179","","512","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528984","5.1462","","5.2082","","5.3155","","90","","99.249","","90","","140.616","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Zr O2","","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","Whittle, K.R.; Ashbrook, S.E.; Lumpkin, G.R.","Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores","Journal of Solid State Chemistry","2006","179","","512","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528985","10.3403","","10.3403","","10.3403","","90","","90","","90","","1105.6","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ti0.25 Zr0.25 W1.5 O6","","- Cs O6 Ti0.25 W1.5 Zr0.25 -","- Cs O6 Ti0.25 W1.5 Zr0.25 -","- Cs8 O48 Ti2 W12 Zr2 -","8","0.0416667","","Whittle, K.R.; Lumpkin, G.R.; Ashbrook, S.E.","Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores","Journal of Solid State Chemistry","2006","179","","512","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528986","10.2763","","10.2763","","10.2763","","90","","90","","90","","1085.2","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ti0.5 W1.5 O6","","- Cs O6 Ti0.5 W1.5 -","- Cs O6 Ti0.5 W1.5 -","- Cs8 O48 Ti4 W12 -","8","0.0416667","","Whittle, K.R.; Lumpkin, G.R.; Ashbrook, S.E.","Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores","Journal of Solid State Chemistry","2006","179","","512","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528987","10.3671","","10.3671","","10.3671","","90","","90","","90","","1114.22","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Hf0.4 W1.6 O6","","- Cs Hf0.4 O6 W1.6 -","- Cs Hf0.4 O6 W1.6 -","- Cs8 Hf3.2 O48 W12.8 -","8","0.0416667","","Whittle, K.R.; Lumpkin, G.R.; Ashbrook, S.E.","Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores","Journal of Solid State Chemistry","2006","179","","512","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528988","5.118","","5.1857","","5.2841","","90","","99.352","","90","","138.378","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Hf O2 -","- Hf O2 -","- Hf4 O8 -","4","1","","Whittle, K.R.; Lumpkin, G.R.; Ashbrook, S.E.","Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores","Journal of Solid State Chemistry","2006","179","","512","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529005","12.0808","","5.60421","","7.12971","","90","","90","","90","","482.705","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr Dy2 Cu O5","","- Cu Dy2 O5 Sr -","- Cu Dy2 O5 Sr -","- Cu4 Dy8 O20 Sr4 -","4","0.5","","Wong-Ng, W.; Yang, Z.; Haugan, T.; Kaduk, J.A.; Jang, M.H.; Young, R.A.; Luong, M.","Crystal chemistry and crystallography of the Sr R2 Cu O5 (R = lanthanides) phases","Journal of Solid State Chemistry","2006","179","","1588","1595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529006","12.03727","","5.58947","","7.10169","","90","","90","","90","","477.816","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr Ho2 Cu O5","","- Cu Ho2 O5 Sr -","- Cu Ho2 O5 Sr -","- Cu4 Ho8 O20 Sr4 -","4","0.5","","Wong-Ng, W.; Haugan, T.; Yang, Z.; Young, R.A.; Kaduk, J.A.; Luong, M.; Jang, M.H.","Crystal chemistry and crystallography of the Sr R2 Cu O5 (R = lanthanides) phases","Journal of Solid State Chemistry","2006","179","","1588","1595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529009","6.5562","","6.5562","","11.286","","90","","90","","90","","485.115","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Li Ir Sn4","","- Ir Li Sn4 -","- Ir Li Sn4 -","- Ir4 Li4 Sn16 -","4","0.125","","Wu, Z.Y.; Hoffmann, R.D.; Poettgen, R.","Neutron diffraction and electrochemical studies on Li Ir Sn4","Journal of Solid State Chemistry","2006","179","","355","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529010","7.732","","11.571","","11.502","","90","","109.491","","90","","970.078","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Nd1.8 Er0.2) W3 O12","","- Er0.2 Nd1.8 O12 W3 -","- Er0.2 Nd1.8 O12 W3 -","- Er0.8 Nd7.2 O48 W12 -","4","0.5","","Wu, M.M.; Peng, J.; Yu, Z.X.; Wang, H.; Cheng, Y.Z.; Hu, Z.B.; Chen, D.F.","Structure and thermal expansion properties of solid solution Nd(2-x) Er(x) W3 O12 (0.0 <= x <= 0.6 and 1.5 <= x <= 2.0)","Solid State Sciences","2006","8","","665","670","","","","","","","","","","","","","","","","","","","","","","has coordinates","151924","2020-10-21","18:00:00",""
"1529011","7.711","","11.537","","11.476","","90","","109.503","","90","","962.349","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Nd1.6 Er0.4) W3 O12","","- Er0.4 Nd1.6 O12 W3 -","- Er0.4 Nd1.6 O12 W3 -","- Er1.6 Nd6.4 O48 W12 -","4","0.5","","Wu, M.M.; Peng, J.; Cheng, Y.Z.; Yu, Z.X.; Wang, H.; Chen, D.F.; Hu, Z.B.","Structure and thermal expansion properties of solid solution Nd(2-x) Er(x) W3 O12 (0.0 <= x <= 0.6 and 1.5 <= x <= 2.0)","Solid State Sciences","2006","8","","665","670","","","","","","","","","","","","","","","","","","","","","","has coordinates","151925","2020-10-21","18:00:00",""
"1529016","5.93","","5.93","","8.397","","90","","90","","90","","295.28","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 Ca W O6","","- Ba2 Ca O6 W -","- Ba2 Ca O6 W -","- Ba4 Ca2 O12 W2 -","2","0.125","","Yamamura, Y.; Wakeshima, M.; Hinatsu, Y.","Structural phase transition and magnetic properties of double perovskites Ba2 Ca M O6 (M = W, Re, Os)","Journal of Solid State Chemistry","2006","179","","605","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529017","8.371","","8.371","","8.371","","90","","90","","90","","586.586","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Ca Re O6","","- Ba2 Ca O6 Re -","- Ba2 Ca O6 Re -","- Ba8 Ca4 O24 Re4 -","4","0.0208333","","Yamamura, Y.; Hinatsu, Y.; Wakeshima, M.","Structural phase transition and magnetic properties of double perovskites Ba2 Ca M O6 (M = W, Re, Os)","Journal of Solid State Chemistry","2006","179","","605","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529018","5.8961","","5.8961","","8.375","","90","","90","","90","","291.148","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 Ca Re O6","","- Ba2 Ca O6 Re -","- Ba2 Ca O6 Re -","- Ba4 Ca2 O12 Re2 -","2","0.125","","Yamamura, Y.; Wakeshima, M.; Hinatsu, Y.","Structural phase transition and magnetic properties of double perovskites Ba2 Ca M O6 (M = W, Re, Os)","Journal of Solid State Chemistry","2006","179","","605","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529019","8.359","","8.359","","8.359","","90","","90","","90","","584.067","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Ca Os O6","","- Ba2 Ca O6 Os -","- Ba2 Ca O6 Os -","- Ba8 Ca4 O24 Os4 -","4","0.0208333","","Yamamura, Y.; Wakeshima, M.; Hinatsu, Y.","Structural phase transition and magnetic properties of double perovskites Ba2 Ca M O6 (M = W, Re, Os)","Journal of Solid State Chemistry","2006","179","","605","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529020","6.906","","6.8329","","18.752","","90","","109.14","","90","","835.954","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ca Y2 Ge3 O10","","- Ca Ge3 O10 Y2 -","- Ca Ge3 O10 Y2 -","- Ca4 Ge12 O40 Y8 -","4","1","","Yamane, H.; Tanimura, R.; Takahashi, J.; Yamada, T.; Shimada, M.; Kajiwara, T.","Synthesis and crystal structures of Ca Y2 Ge3 O10 and Ca Y2 Ge4 O12","Journal of Solid State Chemistry","2006","179","","289","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529021","9.99282","","9.99282","","5.06701","","90","","90","","90","","505.974","","","","","","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","Ca Y2 Ge4 O12","","- Ca Ge4 O12 Y2 -","- Ca1.001 Ge4 O12 Y1.999 -","- Ca2.002 Ge8 O24 Y3.998 -","2","0.125","","Yamane, H.; Takahashi, J.; Tanimura, R.; Yamada, T.; Shimada, M.; Kajiwara, T.","Synthesis and crystal structures of Ca Y2 Ge3 O10 and Ca Y2 Ge4 O12","Journal of Solid State Chemistry","2006","179","","289","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529026","10.086","","10.086","","10.086","","90","","90","","90","","1026.02","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","K Os2 O6","","- K O6 Os2 -","- K O6 Os2 -","- K8 O48 Os16 -","8","0.0416667","","Yamaura, J.-I.; Yonezawa, S.; Muraoka, Y.; Hiroi, Z.","Crystal structure of the pyrochlore oxide superconductor K Os2 O6","Journal of Solid State Chemistry","2006","179","","336","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529029","8.7876","","7.2981","","15.6325","","90","","90.266","","90","","1002.54","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Co (N H2 (C H2 P O3 H) (C H2 P O3)) (H2 O)2) (H2 O)","","- C2 H13 Co N O9 P2 -","- C2 H13 Co N O9 P2 -","- C8 H52 Co4 N4 O36 P8 -","4","1","","Yang, B.-P.; Prosvirin, A.V.; Zhao, H.-H.; Mao, J.-G.","Syntheses and crystal structures of a series of new divalent metal phosphonates with imino-bis(methylphosphonic acid)","Journal of Solid State Chemistry","2006","179","","175","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529030","6.7478","","8.8651","","12.988","","90","","95.569","","90","","773.274","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","(Mn (N H2 (C H2 P O3 H) (C H2 P O3))) (H2 O)","","- C2 H9 Mn N O7 P2 -","- C2 H9 Mn N O7 P2 -","- C8 H36 Mn4 N4 O28 P8 -","4","1","","Yang, B.-P.; Prosvirin, A.V.; Mao, J.-G.; Zhao, H.-H.","Syntheses and crystal structures of a series of new divalent metal phosphonates with imino-bis(methylphosphonic acid)","Journal of Solid State Chemistry","2006","179","","175","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529031","8.8185","","7.4031","","11.1679","","90","","97.991","","90","","722.008","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cu (N H (C H2 P O3 H)2)","","- C2 H7 Cu N O6 P2 -","- C2 H7 Cu N O6 P2 -","- C8 H28 Cu4 N4 O24 P8 -","4","1","","Yang, B.-P.; Zhao, H.-H.; Prosvirin, A.V.; Mao, J.-G.","Syntheses and crystal structures of a series of new divalent metal phosphonates with imino-bis(methylphosphonic acid)","Journal of Solid State Chemistry","2006","179","","175","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529047","10.38775","","10.38775","","5.69198","","90","","90","","120","","531.909","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Y Ca3 (Al O)3 (B O3)4","","- Al3 B4 Ca3 O15 Y -","- Al3 B4 Ca2.999 O15 Y1.001 -","- Al6 B8 Ca5.998 O30 Y2.002 -","2","0.166667","","Yu, Y.; Wu, Q.S.; Li, R.K.","Structure of two new borates Y Ca3 (Al O)3 (B O3)4 and Y Ca3 (Ga O)3 (B O3)4","Journal of Solid State Chemistry","2006","179","","429","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529048","6.2847","","10.8944","","11.178","","90","","102.364","","90","","747.585","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Na2 (Cu V2 O2 (H2 O)2 (O3 P C H2 P O3)2)","","- C2 H4 Cu0.823 Na2 O16 P4 V2 -","- C2 H4 Cu0.823 Na2 O16 P4 V2 -","- C4 H8 Cu1.646 Na4 O32 P8 V4 -","2","0.5","","Yucesan, G.; Golub, V.; O'Connor, C.J.O.; Zubieta, J.","Hydrothermal synthesis and structure of a thee-dimensional trimetallic oxide, Na2 [Cu V2 O2 (H2 O)2 (O3 P C H2 P O3)2]","Inorganica Chimica Acta","2006","359","","1637","1642","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529416","9.23676","0.00018","9.23676","0.00018","9.23676","0.00018","90","","90","","90","","788.06","0.03","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- F5 H12 N3 O2 Ti -","- F4.99758 H12.0019 N3.00048 O2.0004 Ti -","- F19.9903 H48.0077 N12.0019 O8.0016 Ti4 -","4","0.0208333","","I.N. Flerov; M.V. Gorev; V.D. Fokina; M.S. Molokeev; A.D. Vasiliev; A.F. Bovina; N.M. Laptash","Heat capacity, structural disorder, and the phase transition in cryolite (NH4)3Ti(O2)F5","Physics of the Solid State","2006","48","8","1559","1567","10.1134/S1063783406080221","powder diffraction","","","X-ray","","","","","","","","","5.8644","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534566","9.5294","","9.5294","","6.1262","","90","","90","","120","","481.785","","","","","","","","","","","","","6","P 3 2 1","P 3 2""","150","","Ba Sm5 (Si9 Al3 N20) O","","- Al3 Ba N20 O Si9 Sm5 -","- Al3 Ba N20 O Si9 Sm5 -","- Al3 Ba N20 O Si9 Sm5 -","1","0.166667","","Lieb, A.; Schnick, W.","Ba Sm5 [Si9 Al3 N20] O - a nitridoaluminosilicate oxide with a new structure type composed of star-shaped [N(4) ((Si,Al) N3)4] units as secondary building units","Solid State Sciences","2006","8","","185","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534569","10.5973","","11.1687","","11.6179","","90","","90","","90","","1375.07","","","","","","","","","","","","","6","P b a m","-P 2 2ab","55","","Pr10 (Si9 Al O9.96 N16.04) Cl0.96","","- Al Cl0.96 N16.04 O9.96 Pr10 Si9 -","- Al Cl0.96 N16.04 O9.96 Pr10 Si9 -","- Al2 Cl1.92 N32.08 O19.92 Pr20 Si18 -","2","0.25","","Lieb, A.; Lauterbach, R.; Schnick, W.","Pr10 [Si(10-x) Al(x) O(9+x) N(17-x)] Cl with x= 1 - an oxonitridoalumosilicate chloride","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","313","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534580","5.0709","","5.0709","","7.7446","","90","","90","","120","","172.465","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Mg Co6 Ge6","","- Co6 Ge6 Mg -","- Co6 Ge6 Mg -","- Co6 Ge6 Mg -","1","0.0416667","","Gieck, C.; Cavet, S.; Schreyer, M.; Faessler, T.F.; Claus, P.","Synthesis, crystal structure, and catalytic properties of Mg Co6 Ge6","Chemistry - A European Journal","2006","12","","1924","1930","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535003","7.642","","9.66","","10.771","","89.37","","86.72","","81.89","","785.889","","","","","","","","","","","","","5","P -1","-P 1","2","","(N (C H3)4) B9 Cl2.73 H11.27","","- C4 H23.27 B9 Cl2.73 N -","- C4 H23 B9 Cl2.727 N -","- C8 H46 B18 Cl5.454 N2 -","2","1","","Hamilton, E.J.M.; Liu, J.; Meyers, E.A.","The reactions of arachno-[B9 H14]- and nido-[B9 H12]- with acids: preparation and structures of chlorononaborates","Polyhedron","2006","25","","1901","1908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535006","9.729","","10.682","","14","","90","","96.91","","90","","1444.38","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N (C H3)4) B9 Cl H13","","- C4 H25 B9 Cl N -","- C4 H25 B9 Cl N -","- C16 H100 B36 Cl4 N4 -","4","1","","Hamilton, E.J.M.; Meyers, E.A.; Liu, J.","The reactions of arachno-[B9 H14]- and nido-[B9 H12]- with acids: preparation and structures of chlorononaborates","Polyhedron","2006","25","","1901","1908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535015","11.851","","10.41","","13.721","","90","","92.75","","90","","1690.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Li (N H3)4)2 As4","","- As4 H24 Li2 N8 -","- As4 H24 Li2 N8 -","- As16 H96 Li8 N32 -","4","1","","Hanauer, T.; Kraus, F.; Reil, M.; Korber, N.","Isolated cyclo-tetraarsendiide anions: synthesis and crystal structures of bis(tetraamminelithium) tetraarsenide [Li (N H3)4]2 As4, bis(pentaamminesodium) tetraarsenide - ammonia (1/3) [Na (N H3)5]2 As4 * 3(N H3) and bis[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo [8.8.8]hexacosan)(cesium, rubidium)] tetraarsenide - ammonia (1/2) [Cs0.35 Rb0.65 (2,2,2-crypt)]2 As4 * 2(N H3)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2006","137","","147","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535221","6.8742","","6.9305","","17.5753","","87.902","","87.648","","78.942","","820.725","","","","","","","","","","","","","5","P -1","-P 1","2","","Na Mg3 Al Mo5 O20","","- Al Mg3 Mo5 Na O20 -","- Al Mg3 Mo5 Na O20 -","- Al2 Mg6 Mo10 Na2 O40 -","2","1","","Hermanowicz, K.; Maczka, M.; Wolcyrz, M.; Tomaszewski, P.E.","Crystal structure, vibrational properties and luminescence of Na Mg3 Al(Mo O4)5 crystals doped with Cr(3+) ions","Journal of Solid State Chemistry","2006","179","","685","695","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535543","3.913508","","3.913508","","24.21111","","90","","90","","90","","370.806","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Nb3 O5 F5","","- F5 Nb3 O5 -","- F5 Nb3 O5 -","- F10 Nb6 O10 -","2","0.0625","","Brink, F.J.; Withers, R.L.; Poulain, M.; Cordier, S.","An electron diffraction and bond valence sum investigation of oxygen/fluorine ordering in Nb(n) O(2n-1) F(n+2), n = 3","Journal of Solid State Chemistry","2006","179","","341","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","162950","2020-10-21","18:00:00",""
"1536227","7.9081","","14.0248","","9.991","","90","","90.327","","90","","1108.08","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pb (B8 O11 (O H)4)","","- B8 H4 O15 Pb -","- B8 H4 O15 Pb -","- B32 H16 O60 Pb4 -","4","1","","Wang, G.-M.; Sun, Y.-Q; Yang, G.-Y.","Synthesis and characterization of a new layered lead borate","Journal of Solid State Chemistry","2006","179","","398","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536262","25.6135","","25.6135","","25.6135","","90","","90","","90","","16803.8","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Sc24 C10 I30","","- C10 I30 Sc24 -","- C10 I30 Sc24 -","- C80 I240 Sc192 -","8","0.333333","","Jongen, L.; Mudring, A.V.; Meyer, G.","The molecular solid Sc24 C10 I30: a truncated, hollow T4 supertetrahedron of iodine filled with a T3 supertetrahedron of scandium that encapsulates the adamantoid cluster Sc4 C10","Angew. Chem. Int. ed.","2006","45","","1886","1889","","","","","","","","","","","","","","","","","","","","","","has coordinates","163913","2020-10-21","18:00:00",""
"1536422","10.22992","","10.22992","","10.22992","","90","","90","","90","","1070.57","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Ba P2 N4","","- Ba N4 P2 -","- Ba N4 P2 -","- Ba12 N48 P24 -","12","0.5","","Karau, F.W.; Schnick, W.","High-pressure synthesis, x-ray powder structure determination, and solid-state NMR investigation of Ba P2 N4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","231","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537031","42.0671","","11.2166","","18.5081","","90","","100.15","","90","","8596.37","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","K3 In (P O4)2","","- In K3 O8 P2 -","- In K3 O8 P2 -","- In40 K120 O320 P80 -","40","5","","Zhang, Y.; Cheng, W.; Wu, D.; Gong, Y.; Zhang, H.; Chen, D.; Kan, Z.; Zhu, J.","Crystal structures of alkali-metal indium (III) phosphates of [M3 In (P O4)2]n (M = K, n = 10; M = Rb, n = 2) compounds, and band structures and chemical bond properties of [Rb3 In (P O4)2]2 crystal","Journal of Solid State Chemistry","2006","179","","186","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537035","9.9827","","11.6358","","15.9307","","90","","90.27","","90","","1850.44","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Rb3 In (P O4)2)2","","- In2 O16 P4 Rb6 -","- In2 O16 P4 Rb6 -","- In8 O64 P16 Rb24 -","4","1","","Zhang, Y.; Cheng, W.; Wu, D.; Zhang, H.; Chen, D.; Gong, Y.; Zhu, J.; Kan, Z.","Crystal structures of alkali-metal indium (III) phosphates of [M3 In (P O4)2]n (M = K, n = 10; M = Rb, n = 2) compounds, and band structures and chemical bond properties of [Rb3 In (P O4)2]2 crystal","Journal of Solid State Chemistry","2006","179","","186","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537085","8.749","","8.749","","19.554","","90","","90","","90","","1496.76","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Cs3 Se22 -","- Cs3 Se22 -","- Cs6 Se44 -","2","0.125","","Kromm, A.; Sheldrick, W.S.","Cs3 Se22: a selenium-rich cesium polyselenide containing Se8 crowns and (Se6(3-)) anions with radical character","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537237","14.1477","","14.1477","","14.1477","","90","","90","","90","","2831.77","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Mn (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- H22 Mn2 Mo6 N2 O31 Te -","- H20 Mn2 Mo6 N2 O31 Te -","- H80 Mn8 Mo24 N8 O124 Te4 -","4","0.166667","","Gao Bo; Liu Shuxia; Xie Linhua; Yu Miao; Zhang Chundan; Cheng Haiyan; Sun Chunyan","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537238","12.513","","9.8","","10.445","","90","","90","","90","","1280.84","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu0.73 Sn1.27 P14","","- Cu0.73 P14 Sn1.27 -","- Cu0.728 P14 Sn1.272 -","- Cu2.912 P56 Sn5.088 -","4","0.5","","Lange, S.; Sebastian, C.P.; Nilges, T.","A new preparative approach to Hg Pb P14 structure type materials: crystal structure of Cu0.73 Sn1.27 P14 and characterization of M(1-x) Sn(1+x) P14 (M = Cu, Ag) and Ag Sb P14","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","195","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","165278","2020-10-21","18:00:00",""
"1537240","14.0513","","14.0513","","14.0513","","90","","90","","90","","2774.27","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Co (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- Co2 H22 Mo6 N2 O31 Te -","- Co2 H20 Mo6 N2 O31 Te -","- Co8 H80 Mo24 N8 O124 Te4 -","4","0.166667","","Gao Bo; Liu Shuxia; Cheng Haiyan; Zhang Chundan; Xie Linhua; Sun Chunyan; Yu Miao","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537243","13.9743","","13.9743","","13.9743","","90","","90","","90","","2728.92","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Ni (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- H22 Mo6 N2 Ni2 O31 Te -","- H20 Mo6 N2 Ni2 O31 Te -","- H80 Mo24 N8 Ni8 O124 Te4 -","4","0.166667","","Gao Bo; Liu Shuxia; Xie Linhua; Sun Chunyan; Zhang Chundan; Yu Miao; Cheng Haiyan","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537245","14.0087","","14.0087","","14.0087","","90","","90","","90","","2749.12","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Cu (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- Cu2 H22 Mo6 N2 O31 Te -","- Cu2 H20 Mo6 N2 O31 Te -","- Cu8 H80 Mo24 N8 O124 Te4 -","4","0.166667","","Gao Bo; Liu Shuxia; Cheng Haiyan; Yu Miao; Zhang Chundan; Sun Chunyan; Xie Linhua","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537248","14.0409","","14.0409","","14.0409","","90","","90","","90","","2768.12","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Zn (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- H22 Mo6 N2 O31 Te Zn2 -","- Mo6 N2 O31 Te Zn2 -","- Mo24 N8 O124 Te4 Zn8 -","4","0.166667","","Gao Bo; Liu Shuxia; Xie Linhua; Yu Miao; Sun Chunyan; Zhang Chundan; Cheng Haiyan","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544425","7.7418","0.0006","7.77073","0.00006","14.859","0.001","90","","97.51","0.01","90","","886.24","0.09","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","KCa2Nb3O10","","","- Ca2 K Nb3 O10 -","- Ca2 K Nb3 O10 -","- Ca8 K4 Nb12 O40 -","4","1","","Tokumitsu, T.; Toda, S.; Aoyagi, T.; Sakuraba, D.; Uematsu, K.; Sato, M.","Powder neutron diffraction study of layered perovskite, KCa2Nb3O10","Journal of the Ceramic Society of Japan","2006","114","","795","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","187724","2020-10-21","18:00:00",""
"1544614","5.292","0.002","5.452","0.002","5.1149","0.0018","90","","95.89","0.03","90","","146.8","0.09","","","","","","","","","","","","7","P 1 2/a 1","-P 2ya","13","iwashiroite-(Y)","","iwashiroite-(Y)","- E1.19 Nb0.39 O4 R Ta0.58 Ti0.02 Y0.81 -","- Ho0.22 Nb0.4 O4 Ta0.6 Y0.78 -","- Ho0.44 Nb0.8 O8 Ta1.2 Y1.56 -","2","0.5","","Hori, H.; Kobayashi, T.; Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shimizu, M.","Iwashiroite-(Y), YTaO3, a new mineral from Suishoyama, Kawamata town, Fukushima Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2006","101","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","188557","2020-10-21","18:00:00",""
"1544615","4.756","0.001","10.208","0.003","5.988","0.002","90","","90","","90","","290.71","0.14","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","hydrous forsterite","","Mg1.985Si0.993H0.06O4 hydrous forsterite","- H0.06 Mg1.985 O4 Si0.993 -","- Mg1.985 O4 Si0.993 -","- Mg7.94 O16 Si3.972 -","4","0.5","","Kudoh, Y.; Kuribayashi, T.; Kagi, H.; Inoue, T.","Cation vacancy and possible hydrogen positions in hydrous forsterite, Mg1.985Si0.993H0.06O4, synthesized at 13.5 GPa and 1300 ?C","Journal of Mineralogical and Petrological Sciences","2006","101","","265","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","188558","2020-10-21","18:00:00",""
"1545072","4.54","0.09","2.79","0.05","5.7","0.1","90","","90","","90","","72","2","","","","","","","","","","","","4","P m m n","P 2 2ab -1ab","59","LiMn0.95Ni0.05O2","","","- Li Mn0.95 Ni0.05 O2 -","- Li Mn0.95 Ni0.05 O2 -","- Li2 Mn1.9 Ni0.1 O4 -","2","","","Idemoto, Y.; Shimizu, D.; Koura, N.; Takahashi, Y.; Akimoto, J.","Electronic structure of LiMn1-xMxO2 (M=Mn,Co,Ni,Zn) as a cathode active material for Li secondary battery by MEM/Rietveld analysis and first principles calculations","Journal of the Ceramic Society of Japan","2006","114","","849","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","190698","2020-10-21","18:00:00",""
"1546034","5.205","0.005","5.205","0.005","11.275","0.007","90","","90","","90","","305.46","","","","","","1400000","","1400000","","","","","3","I 41/a :2","-I 4ad","88","","","Scheelite","- Ca O4 W -","- Ca O4 W -","- Ca4 O16 W4 -","4","0.25","","Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G.","Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure","Journal of Physics and Chemistry of Solids","2006","67","9-10","2164","2171","10.1016/j.jpcs.2006.05.011","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","196686","2020-10-21","18:00:00",""
"1546035","5.069","0.002","10.851","0.005","5.081","0.007","90","","90.091","0.009","90","","279.47","","","","","","11300000","","11300000","","","","","3","I 1 2/a 1","-I 2ya","15","","","Fergusonite","- Ca O4 W -","- Ca O4 W -","- Ca4 O16 W4 -","4","0.5","","Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G.","Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure","Journal of Physics and Chemistry of Solids","2006","67","9-10","2164","2171","10.1016/j.jpcs.2006.05.011","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","196686","2020-10-21","18:00:00",""
"1546036","5.391","0.008","5.391","0.008","11.893","0.007","90","","90","","90","","345.64","","","","","","200000","","200000","","","","","3","I 41/a :2","-I 4ad","88","","","Scheelite","- O4 Sr W -","- O4 Sr W -","- O16 Sr4 W4 -","4","0.25","","Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G.","Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure","Journal of Physics and Chemistry of Solids","2006","67","9-10","2164","2171","10.1016/j.jpcs.2006.05.011","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","196687","2020-10-21","18:00:00",""
"1546037","5.263","0.009","11.182","0.006","5.231","0.006","90","","90.35","0.01","90","","307.84","","","","","","11000000","","11000000","","","","","3","I 1 2/a 1","-I 2ya","15","","","Fergusonite","- O4 Sr W -","- O4 Sr W -","- O16 Sr4 W4 -","4","0.5","","Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G.","Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure","Journal of Physics and Chemistry of Solids","2006","67","9-10","2164","2171","10.1016/j.jpcs.2006.05.011","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","196687","2020-10-21","18:00:00",""
"1548619","11.00425","0.00028","11.00425","0.00028","11.00425","0.00028","90","","90","","90","","1332.54","0.06","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Cerium(IV) Neodymium Oxide (0.5/0.5/1.75)","","- Ce0.5 Nd0.5 O1.75 -","- Ce0.5 Nd0.5 O1.755 -","- Ce16 Nd16 O56.16 -","32","0.666667","","Chakraborty, K. R.; Krishna, P. S. R.; Chavan, S. V.; Tyagi, A. K.","A neutron diffraction study on ceria - neodia solid solutions","Powder Diffraction","2006","21","","36","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","204931","2020-10-21","18:00:00",""
"1556115","7.9578","0.0003","20.7251","0.0009","11.7791","0.0005","90","","110.834","0.003","90","","1815.66","0.13","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","2","","Tanaka, Ken; Wada, Azusa; Noguchi, Keiichi","Rhodium-catalyzed [2+2+2] cycloaddition of 1,6-diynes with isothiocyanates and carbon disulfide.","Organic letters","2006","8","5","907","909","10.1021/ol053044r","","","1.54187","CuKα","","0.0332","0.028","","","0.0664","0.0711","","","","","","1.125","","","","has coordinates","244972","2020-10-21","18:00:00",""
"1566647","9.2417","0.0001","7.4724","0.0001","10.297","0.0001","90","","109.687","0.0009","90","","669.521","0.014","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","ice XIII","","- D2 O -","- D1.92714 O -","- D53.96 O28 -","28","7","","Salzmann, C. G.; Radaelli, P. G.; Hallbrucker, A.; Mayer, E.; Finney, J. L.","The preparation and structures of hydrogen ordered phases of ice","Science","2006","311","","1758","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273841","2022-03-20","07:29:06",""
"1566648","8.3499","0.0002","8.1391","0.0002","4.0825","0.0001","90","","90","","90","","277.449","0.012","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","ice XIV","","- D2 O -","- D2 O -","- D24 O12 -","12","3","","Salzmann, C. G.; Radaelli, P. G.; Hallbrucker, A.; Mayer, E.; Finney, J. L.","The preparation and structures of hydrogen ordered phases of ice","Science","2006","311","","1758","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273842","2022-03-20","07:41:52",""
"2014295","12.448","0.003","14.878","0.004","22.483","0.006","90","","97.655","0.005","90","","4126.8","1.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-2-hydroxybutanedioato-1κ^2^O^4^,O^4'^:2κ^2^O^2^,O^2^-nitrato-2κO- tris(1,10-phenanthroline)-1κ^4^N,N';2κ^2^N,N'-dicopper(II) nitrate tetrahydrate","","- C40 H36 Cu2 N8 O15 -","- C40 H36 Cu2 N8 O15 -","- C160 H144 Cu8 N32 O60 -","4","1","AV1267","Zhang, Xiang-Dong; Sun, Jin-Yu; Zhao, Zhen; Ma, Yong-Chao; Zhu, Miao-Li","[{Cu(phen)~2~}(μ-malato){Cu(phen)(NO~3~)}](NO~3~)·4H~2~O: malate acting as a tetradentate and dibridging ligand in a dinuclear copper complex","Acta Crystallographica Section C","2006","62","1","m4","m6","10.1107/S0108270105034220","","","0.71073","MoKα","","0.0685","0.0486","","","0.1313","0.1372","","","","","","0.946","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014296","3.779","0.0004","11.207","0.0008","7.841","0.0007","90","","102.019","0.009","90","","324.8","0.05","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[diaqua-μ-fluoro-μ-squarato-vanadium(III)]","","- C4 H4 F O6 V -","- C4 H4 F O6 V -","- C8 H8 F2 O12 V2 -","2","0.5","AV1268","Mohanu, Antoneta; Trombe, Jean-Christian","VF(C~4~O~4~)(H~2~O)~2~: a new layer type of diaquavanadium(III) fluoride squarate","Acta Crystallographica Section C","2006","62","1","m16","m18","10.1107/S0108270105039259","","","0.71073","MoKα","","0.0792","0.0351","","","0.0673","0.0749","","","","","","0.945","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014297","6.4236","0.0017","7.627","0.002","9.814","0.003","104.424","0.006","96.634","0.002","108.81","0.005","430.6","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","poly[di-μ-1,5-dicyanamido-μ-1,4-bis(1,2,4-triazol-1-yl)butane-cadmium(II)]","","- C12 H12 Cd N12 -","- C12 H12 Cd N12 -","- C12 H12 Cd N12 -","1","0.5","AV1270","Li, Bao-Zong; Liu, Xun-Gao; Wang, Zhao-Hui; Li, Bao-Long; Zhang, Yong","A novel two-dimensional network cadmium(II) coordination polymer containing one 1,4-bis(1,2,4-triazol-1-yl)butane and double dicyanamide bridges","Acta Crystallographica Section C","2006","62","1","m10","m12","10.1107/S0108270105038102","","","0.71073","MoKα","","0.0171","0.0171","","","0.0449","0.0449","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014298","10.708","0.003","11.172","0.003","12.448","0.003","107.126","0.004","101.059","0.004","115.803","0.003","1189.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","poly[[bis(1,10-phenanthroline)tris(μ~3~-1,4-phenylenediacetato)trinickel(II)] dihydrate]","","- C54 H44 N4 Ni3 O14 -","- C54 H44 N4 Ni3 O14 -","- C54 H44 N4 Ni3 O14 -","1","0.5","AV1273","Chen, Zi-Lu; Zhang, Yu-Zhen; Liang, Fu-Pei","A novel nickel(II) coordination polymer incorporating 1,4-phenylenediacetic acid and 1,10-phenanthroline","Acta Crystallographica Section C","2006","62","2","m48","m50","10.1107/S0108270105042575","","","0.71073","MoKα","","0.056","0.0357","","","0.0733","0.084","","","","","","1.058","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014299","17.948","0.004","8.2512","0.0017","10.762","0.002","90","","90.461","0.004","90","","1593.7","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-n-decyl-4-hydroxyimino-3-methyl-1H-pyrazol-5(4H)-one","","- C14 H25 N3 O2 -","- C14 H25 N3 O2 -","- C56 H100 N12 O8 -","4","1","AV1274","Julio Belmar; Claudio Jiménez; Leandro Ortiz; María Teresa Garland; Ricardo Baggio","An oximino tautomer of 1-<i>n</i>-decyl-4-hydroxyimino-3-methyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2006","62","2","o76","o78","10.1107/S0108270105042204","","","0.71073","MoKα","","0.1369","0.0647","","","0.1532","0.1843","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014300","6.889","0.007","12.116","0.012","13.286","0.013","102.128","0.015","100.939","0.016","103.523","0.016","1020.3","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Nitrobenzene derivative","2,3-dichloro-6-nitrobenzylaminium chloride","","- C7 H7 Cl3 N2 O2 -","- C7 H7 Cl3 N2 O2 -","- C28 H28 Cl12 N8 O8 -","4","2","AV1275","Rathore, R. S.; Narasimhamurthy, T.; Vijay, T.; Yathirajan, H. S.; Nagaraja, P.","Proton-bifurcated C—H···(O,O) hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride","Acta Crystallographica Section C","2006","62","1","o36","o38","10.1107/S0108270105038114","","","0.71073","MoKα","","0.0771","0.0564","","","0.1419","0.1524","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014301","19.279","0.003","9.4502","0.0011","11.3308","0.0016","90","","107.736","0.012","90","","1966.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","((±)trans-1,2cnH)~2~ tetrathiomolybdate(VI)","Bis[(±)trans-2-aminocyclohexylammonium] tetrathiomolybdate(VI)","","- C12 H30 Mo N4 S4 -","- C12 H30 Mo N4 S4 -","- C48 H120 Mo4 N16 S16 -","4","0.5","AV1276","Srinivasan, Bikshandarkoil R.; Näther, Christian; Bensch, Wolfgang","Bis[(±)-<i>trans</i>-2-aminocyclohexylammonium] tetrathiomolybdate(VI) and <i>trans</i>-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","Acta Crystallographica Section C","2006","62","3","m98","m101","10.1107/S0108270106001685","","","0.71073","MoKα","","0.0402","0.0244","","","0.0565","0.0605","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014302","7.0045","0.0012","9.6833","0.0018","10.53","0.002","108.621","0.01","92.564","0.01","106.24","0.01","642.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","trans-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","trans-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","","- C6 H16 Mo N2 S4 -","- C6 H16 Mo N2 S4 -","- C12 H32 Mo2 N4 S8 -","2","1","AV1276","Srinivasan, Bikshandarkoil R.; Näther, Christian; Bensch, Wolfgang","Bis[(±)-<i>trans</i>-2-aminocyclohexylammonium] tetrathiomolybdate(VI) and <i>trans</i>-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","Acta Crystallographica Section C","2006","62","3","m98","m101","10.1107/S0108270106001685","","","0.71073","MoKα","","0.0456","0.0219","","","0.0497","0.0531","","","","","","1.016","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014303","9.2875","0.0003","10.3056","0.0003","13.3897","0.0004","81.468","0.001","85.416","0.001","64.27","0.001","1141.55","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","{tert-Butyl[(E)-2-(tert-butylimino)ethyl]amido-k^2^N,N'} [bis(trimethylsilyl)amido-κN]tin(II)","","- C16 H39 N3 Si2 Sn -","- C16 H39 N3 Si2 Sn -","- C32 H78 N6 Si4 Sn2 -","2","1","AV1279","Guzei, Ilia A.; Timokhin, Vitaliy I.; West, Robert","[Bis(trimethylsilyl)amido-κ<i>N</i>]{<i>tert</i>-butyl[(<i>E</i>)-2-(<i>tert</i>-butylimino)ethyl]amido-κ^2^<i>N</i>,<i>N</i>'}tin(II), a key intermediate in the synthesis of 1,3-di-<i>tert</i>-butyl-2,3-dihydro-1<i>H</i>-1,3,2-diazastannole","Acta Crystallographica Section C","2006","62","3","m90","m92","10.1107/S0108270106001697","","","0.71073","Mo-Kα","","0.0332","0.0311","","","0.0784","0.0798","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014304","5.429","0.001","5.443","0.001","7.66","0.002","90","","90","","90","","226.35","0.08","293","2","293","2","","","","","","","","4","P b n m","-P 2c 2ab","62","Europium strontium manganite perovskite","Europium strontium manganese trioxide","","- Eu2.36 Mn4 O12 Sr1.64 -","- Eu0.589 Mn O3 Sr0.412 -","- Eu2.356 Mn4 O12 Sr1.648 -","4","0.5","BC1078","Rafael Tamazyan; Nicola Rotiroti; Sander van Smaalen; Yakov Mukovskii; A. Arsenov","Twinning and structure of Eu~0.6~Sr~0.4~MnO~3~","Acta Crystallographica Section C","2006","62","1","i3","i5","10.1107/S0108270105036644","","","0.71069","MoKα","","0.0832","0.0399","","","0.0405","0.0438","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014305","11.28","0.0011","11.28","0.0011","9.6375","0.0011","90","","90","","120","","1061.97","0.19","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Iron(III) hypophosphite","Iron(III) tris[dihydrogenphosphate(I)]","","- Fe H6 O6 P3 -","- Fe H6 O6 P3 -","- Fe6 H36 O36 P18 -","6","0.333333","BC1084","Kuratieva, Natalia V.; Naumov, Dmitry Yu.","Iron(III) dihydrogenphosphate(I)","Acta Crystallographica Section C","2006","62","1","i9","i10","10.1107/S0108270105038035","","","0.71073","MoKα","","0.0403","0.0299","","","0.0693","0.0732","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014306","10.3273","0.0003","10.3273","0.0003","37.098","0.002","90","","90","","120","","3426.5","0.2","173","","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Calcium sodium vanadate phosphate whitlockite","Calcium sodium vanadate phosphate","","- Ca8.42 Na1.16 O28 P7 V -","- Ca8.418 Na1.164 O28 P7 V -","- Ca50.508 Na6.984 O168 P42 V6 -","6","0.333333","BC1085","Alexander A. Tsirlin; Evgeniy V. Dikarev; Roman V. Shpanchenko; Evgeny V. Antipov","A new whitlockite, Ca~8.42~Na~1.16~V(PO~4~)~7~","Acta Crystallographica Section C","2006","62","2","i13","i15","10.1107/S0108270105039041","","","0.71069","MoKα","","0.016","0.016","","","0.0479","0.048","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014307","6.1393","0.0015","6.386","0.002","12.005","0.003","81.75","0.04","85.76","0.03","86.18","0.03","463.8","0.2","291","2","","","","","","","","","","6","P -1","-P 1","2","","molybdenum(VI) tricopper(II) tellurium(IV) heptaoxide dichloride hemihydrate","","- C7 H Cu3 Mo O7.5 Te -","- Cl2 Cu3 H Mo O7.5 Te -","- Cl4 Cu6 H2 Mo2 O15 Te2 -","2","1","BC1088","Takagi, Rie; Fabienne Duc; Johnsson, Mats; molybdenum(VI) tricopper(II) tellurium(IV) heptaoxide dichloride hemihydrate","MoCu~3~TeO~7~Cl~2~·0.5H~2~O","Acta Crystallographica Section C","2006","62","2","i16","i18","10.1107/S0108270106000679","","","0.71073","MoKα","","","0.0266","","","","0.0539","","","","","","0.851","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014308","11.1709","0.0008","4.9674","0.0007","10.5987","0.0008","90","","90","","90","","588.13","0.1","290","","290","","","","","","","","","4","P c c n","-P 2ab 2ac","56","lead dizinc orthoborate","Lead zinc borate","","- B2 O6 Pb Zn2 -","- B2 O6 Pb Zn2 -","- B8 O24 Pb4 Zn8 -","4","0.5","BC1089","Chen, Xue-An; Zhao, Ying-Hua; Chang, Xin-An; Zhang, Li; Xue, Hai-Ping","Lead zinc borate, PbZn~2~(BO~3~)~2~","Acta Crystallographica Section C","2006","62","1","i11","i12","10.1107/S0108270105040709","","","0.71073","MoKα","","0.0605","0.0449","","","0.136","0.1449","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014309","8.496","0.004","13.274","0.006","6.292","0.004","90","","90","","90","","709.6","0.6","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","rubidium tetraberyllium tris(borate)","rubidium tetraberyllium tris(borate)","","- B3 Be4 O9 Rb -","- B3 Be4 O9 Rb -","- B12 Be16 O36 Rb4 -","4","0.5","BC1092","Xiao-Hong Wen; R.-K. Li; C.-T. Chen","A new rubidium beryllium borate, RbBe~4~(BO~3~)~3~","Acta Crystallographica Section C","2006","62","3","i21","i23","10.1107/S0108270106003131","","","0.71073","MoKα","","0.0484","0.0436","","","0.1078","0.1122","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014310","10.546","0.002","12.95","0.003","16.033","0.003","90","","90.58","0.03","90","","2189.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrapiperidinium di-μ-methoxy-di-μ~5~-oxo-tetra-μ~3~-oxo-dodeca-μ~2~-oxo-octaoxodecavanadate","","- C22 H54 N4 O28 V10 -","- C22 H54 N4 O28 V10 -","- C44 H108 N8 O56 V20 -","2","0.5","BG1023","Fen Sun; Yan-Tuan Li; Zhi-Yong Wu; Da-Qi Wang; Jian-Min Dou","Tetrapiperidinium di-μ-methoxy-di-μ~5~-oxo-tetra-μ~3~-oxo-dodeca-μ~2~-oxo-octaoxodecavanadate","Acta Crystallographica Section C","2006","62","2","m60","m62","10.1107/S0108270105042241","","","0.71073","MoKα","","0.0417","0.031","","","0.0854","0.0929","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014311","19.014","0.003","6.8434","0.001","9.4203","0.0014","90","","90","","90","","1225.8","0.3","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Poly[tetraaqua-μ~3~-malonato-malonatobarium(II)zinc(II)]","","- C6 H12 Ba O12 Zn -","- C6 H12 Ba O12 Zn -","- C24 H48 Ba4 O48 Zn4 -","4","0.5","BM1619","Guo Ming-Lin; Guo Chen-Hu","Poly[tetraaquadi-μ~4~-malonato-barium(II)zinc(II)]","Acta Crystallographica Section C","2006","62","1","m7","m9","10.1107/S0108270105036358","","","0.71073","MoKα","","0.0275","0.0194","","","0.0429","0.0456","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014312","9.943","0.003","5.351","0.002","11.154","0.003","90","","105.38","0.03","90","","572.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Tyrosine methyl ester hydrochloride","methyl 2-ammonio-3-(4-hydroxyphenyl)propionate chloride","","- C10 H14 Cl N O3 -","- C10 H14 Cl N O3 -","- C20 H28 Cl2 N2 O6 -","2","1","BM1620","Bryndal, Iwona; Jaremko, Mariusz; Jaremko, Łukasz; Lis, Tadeusz","Comparison of the methyl ester of <small>L</small>-tyrosine hydrochloride and its methanol monosolvate","Acta Crystallographica Section C","2006","62","3","o111","o114","10.1107/S0108270106002137","","","0.71073","MoKα","","0.0545","0.0422","","","0.0881","0.0913","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014313","5.424","0.002","11.08","0.003","21.647","0.005","90","","90","","90","","1300.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-tyrosine methyl ester hydrochloride methanol solvate","methyl 2-ammonio-3-(4-hydroxyphenyl)propionate chloride methanol solvate","","- C11 H18 Cl N O4 -","- C11 H18 Cl N O4 -","- C44 H72 Cl4 N4 O16 -","4","1","BM1620","Bryndal, Iwona; Jaremko, Mariusz; Jaremko, Łukasz; Lis, Tadeusz","Comparison of the methyl ester of <small>L</small>-tyrosine hydrochloride and its methanol monosolvate","Acta Crystallographica Section C","2006","62","3","o111","o114","10.1107/S0108270106002137","","","1.5418","CuKα","","0.0415","0.0403","","","0.107","0.108","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014314","10.3541","0.0012","13.5873","0.0015","21.746","0.003","90","","103.791","0.005","90","","2971.1","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Dichloro[tris(2-benzimidazolylmethyl)amine]iron(III) chloride ethanol dihydrate","","- C26 H31 Cl3 Fe N7 O3 -","- C26 H31 Cl3 Fe N7 O3 -","- C104 H124 Cl12 Fe4 N28 O12 -","4","1","BM3001","Feng, Si-Si; Lu, Li-Ping; Wang, Shu-Xia; Li, Li; Zhu, Miao-Li","<i>cis</i>-Dichloro[tris(2-benzimidazolylmethyl)amine]iron(III) chloride ethanol dihydrate: hydrogen bonding changing the arrangement of tapes built from π‒π and C—H···π interactions","Acta Crystallographica Section C","2006","62","3","m105","m108","10.1107/S0108270106002630","","","0.71073","MoKα","","0.0642","0.0441","","","0.104","0.113","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014315","4.9402","0.0002","5.6847","0.0003","25.9862","0.0013","90","","94.495","0.002","90","","727.54","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","","1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","BM3004","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","1-(1<i>H</i>-Indol-3-ylcarbonyl)-<i>N</i>-(4-methoxybenzyl)formamide","Acta Crystallographica Section C","2006","62","3","o153","o154","10.1107/S0108270106003441","","","0.71073","MoKα","","0.0602","0.0392","","","0.0827","0.0909","","","","","","1.066","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014316","35.62","0.011","4.9487","0.0016","9.406","0.003","90","","90.447","0.005","90","","1658","0.9","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","n-hexadecanoic acid","","- C16 H32 O2 -","- C16 H32 O2 -","- C64 H128 O8 -","4","1","DN3001","Moreno, Evelyn; Cordobilla, Raquel; Calvet, Teresa; Lahoz, Fernando J.; Balana, Ana I.","The <i>C</i> form of <i>n</i>-hexadecanoic acid","Acta Crystallographica Section C","2006","62","3","o129","o131","10.1107/S0108270106003106","","","0.71073","MoKα","","0.1283","0.0921","","","0.2406","0.2625","","","","","","1.126","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014317","9.6673","0.0007","9.6787","0.0007","15.588","0.0018","90","","107.131","0.002","90","","1393.8","0.2","293","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","EM1003","Jose G. Trujillo-Ferrara; Rosa Luisa Santillán-Baca; Norberto Farfán-García; Itzia I. Padilla-Martínez; Efrén V. García-Báez","Two isomeric butadiene‒<i>N</i>-(acetoxyphenyl)maleimide Diels‒Alder adducts: supramolecular structure directed by C—H···<i>X</i> (<i>X</i> = O and π) hydrogen bonds and perpendicular dipole carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","3","o125","o128","10.1107/S0108270106002186","","","0.71073","MoKα","","0.0972","0.0412","","","0.1229","0.1449","","","","","","1.071","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014318","16.163","0.001","6.578","0.001","13.583","0.001","90","","93.73","0.02","90","","1441.1","0.3","293","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","EM1003","Jose G. Trujillo-Ferrara; Rosa Luisa Santillán-Baca; Norberto Farfán-García; Itzia I. Padilla-Martínez; Efrén V. García-Báez","Two isomeric butadiene‒<i>N</i>-(acetoxyphenyl)maleimide Diels‒Alder adducts: supramolecular structure directed by C—H···<i>X</i> (<i>X</i> = O and π) hydrogen bonds and perpendicular dipole carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","3","o125","o128","10.1107/S0108270106002186","","","0.71073","MoKα","","0.0897","0.0505","","","0.1663","0.1822","","","","","","1.139","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014319","18.513","0.002","13.916","0.001","9.6383","0.0007","90","","90","","90","","2483.1","0.4","293","2","293","2","","","","","","","","4","P m m a","-P 2a 2a","51","","Poly[caesium [[μ~4~-carbido-dodecakis-μ~2~-chloro-hexazirconium]-tri-μ~2~-chloro]]","","- C Cl15 Cs Zr6 -","- C Cl15 Cs Zr6 -","- C4 Cl60 Cs4 Zr24 -","4","0.5","FA1155","Rohm, Henning W.; Köckerling, Martin","Cation distribution in the zirconium chloride cluster phase Cs[(Zr~6~C)Cl~15~]","Acta Crystallographica Section C","2006","62","2","i19","i20","10.1107/S0108270105043076","","","0.71073","MoKα","","0.0583","0.0455","","","0.117","0.1275","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014320","8.7074","0.0017","17.749","0.004","14.081","0.003","90","","104.53","0.03","90","","2106.6","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Methoxyethoxy)ethyl 4-[5-cyano-1-ethyl-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3- yl)diazenyl]benzoate","","- C21 H24 N4 O6 -","- C21 H24 N4 O6 -","- C84 H96 N16 O24 -","4","1","FA1171","Qian, Hui-Fen; Huang, Wei","An azo dye molecule having a pyridine-2,6-dione backbone","Acta Crystallographica Section C","2006","62","2","o62","o64","10.1107/S0108270105041211","","","0.71073","MoKα","","0.0583","0.0537","","","0.1391","0.142","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014321","7.6594","0.0002","7.7717","0.0001","8.7972","0.0002","113.248","0.001","108.653","0.001","97.495","0.001","435.608","0.017","293","","293","","","","","","","","","5","P -1","-P 1","2","","catena-Poly[disodium [[diformatotricopper(II)]-di-μ~3~-formato-tetra-μ~2~-formato]]","","- C8 H8 Cu3 Na2 O16 -","- C8 H8 Cu3 Na2 O16 -","- C8 H8 Cu3 Na2 O16 -","1","0.5","FA1173","Amalija Golobič; Martina Malekovič; Primož Šegedin","<i>catena</i>-Poly[disodium [[diformatotricopper(II)]-di-μ~3~-formato-tetra-μ~2~-formato]]: a new mode of bridging between binuclear and mononuclear formate‒copper(II) units","Acta Crystallographica Section C","2006","62","3","m102","m104","10.1107/S0108270106001636","","","0.71073","MoKα","","","0.052","","","","0.152","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014322","19.357","0.003","16.537","0.002","21.783","0.003","90","","97.09","0.01","90","","6919.6","1.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{[phthalocyaninato(2-)]arsenic(III)} octaiododiarsenic(III)","","- C64 H32 As4 I8 N16 -","- C64 H32 As4 I8 N16 -","- C256 H128 As16 I32 N64 -","4","0.5","FA1174","Jan Janczak; Genivaldo Júlio Perpétuo","Bis{[phthalocyaninato(2‒)]arsenic(III)} octaiododiarsenic(III)","Acta Crystallographica Section C","2006","62","2","m45","m47","10.1107/S0108270105042113","","","0.71073","MoKα","","0.0765","0.0488","","","0.1196","0.1386","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014323","10.7354","0.0006","22.1257","0.0012","23.6103","0.0013","99.38","0.001","95.008","0.001","92.238","0.001","5503.9","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","di-μ~3~-acetato-1κ^2^O,O':2κO';2κO:3κ^2^O,O'-di-μ~2~-acetato- 1κO:2κO';2κO:3κO'-octapyridyl-1κ^3^N,2κ^2^N,3κ^3^N-tricobalt(II) bis(hexafluorophosphate)","","- C48 H52 Co3 F12 N8 O8 P2 -","- C48 H52 Co3 F12 N8 O8 P2 -","- C192 H208 Co12 F48 N32 O32 P8 -","4","2","FA1176","Jonathan C. Burley; Timothy J. Prior","Insights into crystallization mechanism: a synchrotron study of polymorphism in a cobalt acetate cluster compound","Acta Crystallographica Section C","2006","62","2","m63","m66","10.1107/S0108270105041570","","","0.8461","synchrotron","","0.0636","0.0556","","","0.1462","0.1521","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014324","10.688","0.004","11.839","0.004","12.48","0.004","98.149","0.005","103.605","0.005","111.722","0.005","1379.3","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","di-μ~3~-acetato-1κ^2^O,O':2κO';2κO:3κ^2^O,O'-di-μ~2~-acetato- 1κO:2κO';2κO:3κO'-octapyridyl-1κ^3^N,2κ^2^N,3κ^3^N-tricobalt(II) bis(hexafluorophosphate)","","","- C48 H52 Co3 F12 N8 O8 P2 -","- C48 H52 Co3 F12 N8 O8 P2 -","- C48 H52 Co3 F12 N8 O8 P2 -","1","0.5","FA1176","Jonathan C. Burley; Timothy J. Prior","Insights into crystallization mechanism: a synchrotron study of polymorphism in a cobalt acetate cluster compound","Acta Crystallographica Section C","2006","62","2","m63","m66","10.1107/S0108270105041570","","","0.6711","synchrotron","","0.1043","0.0723","","","0.1948","0.2144","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014325","5.1761","0.0004","13.9774","0.0011","16.8689","0.0014","90","","90","","90","","1220.44","0.17","298","2","298","1","","","","","","","Hagendorf pegmatite, Bavaria, Germany","6","C m c m","-C 2c 2","","","iron manganese zinc tris(phosphate) pentahydroxide","Frondelite","- Fe4.32 H5 Mn0.62 O17 P3 Zn0.06 -","- Fe4.32 H3 Mn0.62 O17 P3 Zn0.06 -","- Fe17.28 H12 Mn2.48 O68 P12 Zn0.24 -","4","0.25","FA1177","Redhammer, Günther J.; Roth, Georg; Tippelt, Gerold; Bernroider, Manfred; Lottermoser, Werner; Amthauer, Georg; Hochleitner, Rupert","Manganoan rockbridgeite Fe~4.32~Mn~0.62~Zn~0.06~(PO~4~)~3~(OH)~5~: structure analysis and ^57^Fe Mössbauer spectroscopy","Acta Crystallographica Section C","2006","62","3","i24","i28","10.1107/S0108270106002472","","","0.71073","MoKα","","","0.039","","","","0.078","","","","","","1.393","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:03",""
"2014326","5.4845","0.0002","6.4997","0.0003","7.6758","0.0003","84.121","0.002","73.816","0.003","71.792","0.003","249.587","0.019","120","2","150","2","","","","","","","","4","P -1","-P 1","2","2-mercaptothiazoline","1,3-thiazolidine-2-thione","","- C3 H5 N S2 -","- C3 H5 N S2 -","- C6 H10 N2 S4 -","2","1","FA1178","Corrêa, Rodrigo S.; Santana, Sarita A.; Salloum, Rogêrio; Silva, Rosalice M.; Doriguetto, Antônio C.","A triclinic polymorph of 1,3-thiazolidine-2-thione (2-mercaptothiazoline)","Acta Crystallographica Section C","2006","62","3","o115","o117","10.1107/S0108270106002484","","","0.71073","MoKα","","","0.0259","","","","0.0628","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014327","16.9692","0.0011","5.2167","0.0003","12.4065","0.0008","90","","90.942","0.001","90","","1098.11","0.12","105","2","105","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-isoleucyl-L-serin 0.33-hydrate","","- C9 H18.67 N2 O4.33 -","- C9 H18.668 N2 O4.334 -","- C36 H74.672 N8 O17.336 -","4","1","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","<small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0365","0.0339","","","0.0884","0.091","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014328","7.6434","0.0007","5.7609","0.0005","13.4396","0.0012","90","","93.754","0.004","90","","590.51","0.09","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-phenylalanyl-L-serine","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","<small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0329","0.0307","","","0.0826","0.084","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014329","16.791","0.004","5.0711","0.0011","26.851","0.006","90","","100.926","0.004","90","","2244.9","0.9","105","2","105","2","","","","","","","","5","C 1 2 1","C 2y","5","","L-Methionyl-L-Serine 0.34-hydrate","","- C8 H16.68 N2 O4.34 S -","- C8 H16.6775 N2 O4.33875 S -","- C64 H133.42 N16 O34.71 S8 -","8","2","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","<small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0897","0.0726","","","0.1937","0.2011","","","","","","1.54","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014330","5.97","0.001","6.775","0.001","13.335","0.003","85.23","0.03","83.31","0.03","83.22","0.03","530.62","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","glycin cobalt sulphate pentahydrate","hexaaquacobalt(II) tetraaquadiglycinatocobalt(II) sulfate","","- C4 H30 Co2 N2 O22 S2 -","- C4 H30 Co2 N2 O22 S2 -","- C4 H30 Co2 N2 O22 S2 -","1","0.5","FG3001","Michel Fleck; Ladislav Bohatý","Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate","Acta Crystallographica Section C","2006","62","1","m22","m26","10.1107/S0108270105040606","","","0.71073","MoKα","","0.0216","0.0202","","","0.0511","0.0519","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014331","17.775","0.004","7.311","0.001","22.595","0.005","90","","100.1","0.03","90","","2890.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","glycine sodium thiosulphate dihydrate","poly[diaqua-μ~3~-glycinato-di-μ~4~-thiosulfato-thiosulfatotetrasodium(I)","","- C2 H9 N Na4 O10 S4 -","- C2 H9 N Na4 O10 S4 -","- C16 H72 N8 Na32 O80 S32 -","8","1","FG3001","Michel Fleck; Ladislav Bohatý","Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate","Acta Crystallographica Section C","2006","62","1","m22","m26","10.1107/S0108270105040606","","","0.71073","MoKα","","0.029","0.0249","","","0.0625","0.0649","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014332","5.63","0.001","20.244","0.004","7.762","0.002","90","","94.33","0.03","90","","882.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","glycin potassium thiosulphate","poly[μ~2~-glycinato-μ~4~-thiosulfato-dipotassium(I)]","","- C2 H5 K2 N O5 S2 -","- C2 H5 K2 N O5 S2 -","- C8 H20 K8 N4 O20 S8 -","4","1","FG3001","Michel Fleck; Ladislav Bohatý","Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate","Acta Crystallographica Section C","2006","62","1","m22","m26","10.1107/S0108270105040606","","","0.71073","MoKα","","0.0287","0.0229","","","0.0561","0.0582","","","","","","1.095","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014333","12.541","0.003","9.5315","0.0019","15.989","0.003","90","","110.91","0.03","90","","1785.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis(azonia-12-crown-4) bis(4-aminobenzoate) trihydrate","bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate","","- C30 H54 N4 O13 -","- C30 H54 N4 O13 -","- C60 H108 N8 O26 -","2","1","FG3002","Basok, Stepan S.; Bocelli, Gabriele; Fonari, Marina S.; Ganin, Eduard V.; Simonov, Yurii A.","Hierarchy of hydrogen bonding in bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate","Acta Crystallographica Section C","2006","62","1","o50","o52","10.1107/S0108270105040667","","","0.71073","MoKα","","0.0457","0.0301","","","0.0584","0.0618","","","","","","0.996","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014334","7.224","0.002","8.701","0.002","10.382","0.003","103.51","0.03","98.97","0.03","110.98","0.03","571.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","N-(5-bromo-2-pyridyl)aminomethane-1,1-diphosphonic acid","[(5-Bromopyridinium-2-ylamino)(phosphono)methyl]phosphonate","","- C6 H9 Br N2 O6 P2 -","- C6 H9 Br N2 O6 P2 -","- C12 H18 Br2 N4 O12 P4 -","2","1","FG3003","Ewa Matczak-Jon; Katarzyna Ślepokura; Paweł Kafarski","[(5-Bromopyridinium-2-ylamino)(phosphono)methyl]phosphonate","Acta Crystallographica Section C","2006","62","3","o132","o135","10.1107/S0108270106002423","","","0.71073","MoKα","","0.0467","0.034","","","0.0674","0.0713","","","","","","1.081","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014335","6.448","0.0011","14.099","0.002","15.924","0.002","90","","94.617","0.012","90","","1443","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Salicylaldehyde 4,4'-(hexane-1,6-diyl)thiosemicarbazone","","- C14 H19 N3 O S -","- C14 H19 N3 O S -","- C56 H76 N12 O4 S4 -","4","1","GA1110","Leji Latheef; E. Manoj; M. R. Prathapachandra Kurup","Salicylaldehyde 4,4'-(hexane-1,6-diyl)thiosemicarbazone","Acta Crystallographica Section C","2006","62","1","o16","o18","10.1107/S010827010503564X","","","0.71073","MoKα","","0.1402","0.0444","","","0.089","0.1102","","","","","","0.982","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014336","12.6628","0.001","18.8367","0.0015","20.138","0.0016","90","","95.789","0.001","90","","4778.9","0.7","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Cu(phen)~3~][Hg~2~I~6~] DMSO H~2~O","Tris(1,10-phenanthroline)copper(II) di-μ-iodo-bis(diiodomercurate) dimethyl sulfoxide monohydrate","","- C38 H32 Cu Hg2 I6 N6 O2 S -","- C38 H31 Cu Hg2 I6 N6 O2 S -","- C152 H124 Cu4 Hg8 I24 N24 O8 S4 -","4","1","GA1111","Oh, Myeong-Jin; Lee, Yong-Min; Lee, Seung Jae; Kang, Sung Kwon; Choi, Sung-Nak","Tris(1,10-phenanthroline)copper(II) di-μ-iodo-bis(diiodomercurate) dimethyl sulfoxide monohydrate","Acta Crystallographica Section C","2006","62","2","m51","m53","10.1107/S0108270105043088","","","0.71073","MoKα","","0.085","0.0411","","","0.08","0.0943","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014337","7.2388","0.0005","22.3068","0.0011","7.7746","0.0005","90","","108.884","0.005","90","","1187.83","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","di-μ-pyridazine-1κ^2^N:2κN'-bis[(saccharinato)silver(I)]","di-μ-pyridazine-1κ^2^N:2κN'-bis[(2,3-dihydro-3- oxobenzisosulfonazolato)silver(I)]","","- C22 H16 Ag2 N6 O6 S2 -","- C22 H16 Ag2 N6 O6 S2 -","- C44 H32 Ag4 N12 O12 S4 -","2","0.5","GD1419","Hamamci, Sevim; Yilmaz, Veysel T.; Büyükgüngör, Orhan","Monoclinic and triclinic concomitant polymorphs of di-μ-pyridazine-1κ^2^<i>N</i>:2κ^2^<i>N</i>'-bis[(saccharinato)silver(I)]","Acta Crystallographica Section C","2006","62","1","m1","m3","10.1107/S0108270105036334","","","0.71073","MoKα","","0.0297","0.0262","","","0.0624","0.0634","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014338","7.3231","0.0008","7.7516","0.0009","11.5389","0.0014","73.09","0.009","83.087","0.01","71.148","0.009","592.82","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","di-μ-pyridazine-1κ^2^N:2κN'-bis[(saccharinato)silver(I)]","","- C22 H16 Ag2 N6 O6 S2 -","- C22 H16 Ag2 N6 O6 S2 -","- C22 H16 Ag2 N6 O6 S2 -","1","0.5","GD1419","Hamamci, Sevim; Yilmaz, Veysel T.; Büyükgüngör, Orhan","Monoclinic and triclinic concomitant polymorphs of di-μ-pyridazine-1κ^2^<i>N</i>:2κ^2^<i>N</i>'-bis[(saccharinato)silver(I)]","Acta Crystallographica Section C","2006","62","1","m1","m3","10.1107/S0108270105036334","","","0.71073","MoKα","","0.0289","0.0251","","","0.0658","0.0664","","","","","","1.083","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014339","21.131","0.004","6.8459","0.0011","15.376","0.003","90","","103.135","0.002","90","","2166.1","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-biphenyldicarboxylic acid‒2,5-bis(4-pyridyl)-1,3,4-oxadiazole (1/1)","","- C26 H18 N4 O5 -","- C26 H18 N4 O5 -","- C104 H72 N16 O20 -","4","0.5","GD1421","Miao Du; Yan-Ping You; Zhi-Hui Zhang","Hydrogen-bonded sheets in the 1:1 cocrystal of biphenyl-4,4'-dicarboxylic acid with 2,5-di-4-pyridyl-1,3,4-oxadiazole","Acta Crystallographica Section C","2006","62","1","o33","o35","10.1107/S0108270105039077","","","0.71073","MoKα","","0.0634","0.0386","","","0.1021","0.1112","","","","","","0.984","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014340","9.0606","0.0018","7.2027","0.0014","13.309","0.003","90","","119.96","0.03","90","","752.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,3-dihydroxynaphthalene","Naphthalene-1,3-diol","","- C10 H8 O2 -","- C10 H8 O2 -","- C40 H32 O8 -","4","1","GD1424","Marciniak, Bernard; Rozycka-Sokolowska, Ewa; Pavlyuk, Volodymyr","Naphthalene-1,3-diol","Acta Crystallographica Section C","2006","62","2","o68","o70","10.1107/S010827010504093X","","","0.71073","MoKα","","0.0594","0.0489","","","0.1129","0.1192","","","","","","1.171","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014341","8.7638","0.0007","12.4371","0.001","13.572","0.0011","110.55","0.006","97.483","0.007","101.857","0.006","1322.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Disodium 2,5-dianilinoterephthalate decahydrate","","- C20 H34 N2 Na2 O14 -","- C20 H33 N2 Na2 O14 -","- C40 H66 N4 Na4 O28 -","2","1","GD1425","Schmidt, Martin U.; Schmiermund, Torsten; Bolte, Michael","Disodium 2,5-bis(phenylamino)terephthalate decahydrate, an intermediate in the industrial synthesis of quinacridone pigments","Acta Crystallographica Section C","2006","62","2","m37","m40","10.1107/S0108270105040114","","","0.71073","MoKα","","0.0618","0.0507","","","0.1342","0.1411","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014342","14.9018","0.0017","16.7328","0.0017","12.5546","0.0014","90","","113.446","0.002","90","","2872","0.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichloro[(3,5-dimethyl-1H-pyrazol-1-yl)methane]zinc(II)","","- C11 H16 Cl2 N4 Zn -","- C11 H16 Cl2 N4 Zn -","- C88 H128 Cl16 N32 Zn8 -","8","1","GD1428","Cheng, Mei-Ling; Li, Hong-Xi; Zhang Yong; Lang, Jian-Ping","Dichloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]zinc(II) and di-μ-chloro-bis{chloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]cadmium(II)}","Acta Crystallographica Section C","2006","62","2","m74","m77","10.1107/S0108270106001387","","","0.7107","MoKα","","0.0249","0.0236","","","0.0634","0.0643","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014343","7.7033","0.0017","9.232","0.002","11.513","0.002","112.752","0.019","102.34","0.02","97.28","0.03","717.4","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chloro-bis{chloro[(3,5-dimethyl-1H-pyrazol-1-yl)methane]cadmium(II)}","","- C22 H32 Cd2 Cl4 N8 -","- C22 H32 Cd2 Cl4 N8 -","- C22 H32 Cd2 Cl4 N8 -","1","0.5","GD1428","Cheng, Mei-Ling; Li, Hong-Xi; Zhang Yong; Lang, Jian-Ping","Dichloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]zinc(II) and di-μ-chloro-bis{chloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]cadmium(II)}","Acta Crystallographica Section C","2006","62","2","m74","m77","10.1107/S0108270106001387","","","0.7107","MoKα","","0.0189","0.0177","","","0.0438","0.0444","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014344","15.0755","0.0011","10.6965","0.0005","10.5305","0.0007","90","","107.123","0.005","90","","1622.83","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ammonium O,O-dicyclohexyl phosphorodithioate","","- C12 H26 N O2 P S2 -","- C12 H26 N O2 P S2 -","- C48 H104 N4 O8 P4 S8 -","4","1","GD3002","Mustafa Serkan Soylu; Mehtap Yağan; Nezihe Çalıs̨kan; Bekir Batı; Orhan Büyükgüngör","Ammonium <i>O</i>,<i>O</i>-dicyclohexyl phosphorodithioate","Acta Crystallographica Section C","2006","62","3","o145","o147","10.1107/S0108270106003969","","","0.71073","MoKα","","0.052","0.0387","","","0.1009","0.1063","","","","","","1.068","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014345","12.3571","0.0006","6.5465","0.0002","15.1231","0.0006","90","","95.556","0.004","90","","1217.65","0.09","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(methylammonium) hydrogenphosphate dihydrogenphosphate","","- C3 H21 N3 O8 P2 -","- C3 H21 N3 O8 P2 -","- C12 H84 N12 O32 P8 -","4","1","GG1289","Fábry, Jan; Krupková, Radmila; Vaněk, Přemysl; Dušek, Michal","Tris(methylammonium) hydrogenphosphate dihydrogenphosphate","Acta Crystallographica Section C","2006","62","2","o73","o75","10.1107/S0108270105041934","","","0.71069","MoKα","","0.032","0.026","","","0.0766","0.08","","","","","","1.89","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014346","14.628","0.001","28.573","0.005","17.324","0.002","90","","106.39","0.05","90","","6947","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tris{chloro[6-(1-diphenylphosphinoxy-1-methylethyl)-2- ethylpyridine-κ^2^N,P]methylpalladium(II)} chloroform solvate","","- C67 H76 Cl6 N3 O3 P3 Pd3 -","- C67 H76 Cl6 N3 O3 P3 Pd3 -","- C268 H304 Cl24 N12 O12 P12 Pd12 -","4","1","GG1299","Magno Agostinho; Andrei Banu; Pierre Braunstein; Richard Welter; Xavier Morise","New palladium complexes with phosphino- and phosphinitopyridine ligands","Acta Crystallographica Section C","2006","62","3","m81","m86","10.1107/S0108270106001296","","","0.71069","MoKα","","0.1065","0.0587","","","0.1047","0.1234","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014347","10.151","0.001","11.461","0.001","12.106","0.002","95.4","0.05","109.93","0.05","112.23","0.05","1184.7","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","dichloro[2-(2,6-dimethylphenyl)-6-(diphenylphosphanomethyl)pyridine- κ^2^N,P]palladium(II)","","- C26 H24 Cl2 N P Pd -","- C26 H24 Cl2 N P Pd -","- C52 H48 Cl4 N2 P2 Pd2 -","2","1","GG1299","Magno Agostinho; Andrei Banu; Pierre Braunstein; Richard Welter; Xavier Morise","New palladium complexes with phosphino- and phosphinitopyridine ligands","Acta Crystallographica Section C","2006","62","3","m81","m86","10.1107/S0108270106001296","","","0.71069","MoKα","","0.0402","0.0305","","","0.0719","0.0776","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014348","11.507","0.001","12.011","0.002","17.49","0.002","90","","99.92","0.05","90","","2381.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","chloro[2-(2,6-dimethylphenyl)-6-(diphenylphosphanomethyl)pyridine- κ^2^N,P]methylpalladium(II)","","- C27 H27 Cl N P Pd -","- C27 H27 Cl N P Pd -","- C108 H108 Cl4 N4 P4 Pd4 -","4","1","GG1299","Magno Agostinho; Andrei Banu; Pierre Braunstein; Richard Welter; Xavier Morise","New palladium complexes with phosphino- and phosphinitopyridine ligands","Acta Crystallographica Section C","2006","62","3","m81","m86","10.1107/S0108270106001296","","","0.71069","MoKα","","0.1214","0.0553","","","0.0934","0.1123","","","","","","0.911","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014349","36.496","0.007","4.603","0.0009","12.231","0.002","90","","95.06","0.03","90","","2046.7","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis[4-(salicylideneamino)phenyl]methane","2,2'-[methylenedi-p-phenylenebis(nitrilomethylidyne)]diphenol","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","0.5","GG1307","Henrik Birkedal; Philip Pattison","Bis[4-(salicylideneamino)phenyl]methane","Acta Crystallographica Section C","2006","62","3","o139","o141","10.1107/S0108270106003283","","","0.8","synchrotron","","0.061","0.0562","","","0.163","0.1676","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014350","10.0911","0.0006","12.279","0.0007","11.1598","0.0007","90","","104.24","0.001","90","","1340.31","0.14","118","2","118","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ammonium risedronate dihydrate","Ammonium [1-hydroxy-1-phosphono-2-(pyridinium-3-yl)ethyl]phosphonate dihydrate","","- C7 H18 N2 O9 P2 -","- C7 H18 N2 O9 P2 -","- C28 H72 N8 O36 P8 -","4","1","GZ1022","Stahl, Kenny; Oddershede, Jette; Preikschat, Herbert; Fischer, Erik; Bennekou, Jacob S.","Ammonium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate and potassium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate","Acta Crystallographica Section C","2006","62","3","m112","m115","10.1107/S0108270106002782","","","0.71073","MoKα","","0.0628","0.0478","","","0.1054","0.1113","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014351","6.5356","0.0004","28.1606","0.0017","6.9636","0.0004","90","","95.993","0.001","90","","1274.62","0.13","118","2","118","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","potassium risedronate dihydrate","monopotassium [1-hydroxy-1-phosphono-2-(pyridinum-3-yl)ethyl]phosphonate dihydrate","","- C7 H14 K N O9 P2 -","- C7 H14 K N O9 P2 -","- C28 H56 K4 N4 O36 P8 -","4","1","GZ1022","Stahl, Kenny; Oddershede, Jette; Preikschat, Herbert; Fischer, Erik; Bennekou, Jacob S.","Ammonium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate and potassium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate","Acta Crystallographica Section C","2006","62","3","m112","m115","10.1107/S0108270106002782","","","0.71073","MoKα","","0.0397","0.0341","","","0.0856","0.088","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014352","17.585","0.002","6.8615","0.0005","13.9453","0.0016","90","","103.035","0.01","90","","1639.3","0.3","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","meso-4,5-diphenyl-3,6-diazaoctane-1,8-diol","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","0.5","GZ1025","Dinçer, Muharrem; Özdemir, Namık; Saydam, Sinan; Bekaroğlu, Özer; Büyükgüngör, Orhan","Hydrogen bonding in <i>meso</i>-4,5-diphenyl-3,6-diazaoctane-1,8-diol: the formation of one-dimensional linear chains of edge-fused rings","Acta Crystallographica Section C","2006","62","2","o89","o91","10.1107/S0108270106001053","","","0.71073","MoKα","","0.06","0.0532","","","0.1424","0.1484","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014353","7.659","0.003","13.872","0.005","16.479","0.005","113.175","0.005","99.171","0.006","96.799","0.005","1557","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Daphnoretin","7-Hydroxy-6-methoxy-2-oxo-2H-chromen-3-yl 2-oxo-2H-chromen-7-yl ether","","- C19 H12 O7 -","- C19 H12 O7 -","- C76 H48 O28 -","4","2","GZ1026","Tian-Zhu Zhang; Chun-Yan Wei; Guo-Hai Xu; Se-Won Park","7-Hydroxy-6-methoxy-3-[(2-oxo-2<i>H</i>-1-benzopyran-7-yl)oxy]-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section C","2006","62","2","o86","o88","10.1107/S0108270106000874","","","0.71073","MoKα","","0.0748","0.0452","","","0.0829","0.0933","","","","","","0.949","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014354","9.9776","0.0006","14.0647","0.0008","19.586","0.001","70.511","0.002","82.199","0.002","71.989","0.002","2462.5","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","trans-(12,12-dimethyl-1,4,7,10- tetraazacyclotetradecane)diisothiocyanatocobalt(III) tetraisothiocyanatozinc(II) ethanol solvate","","- C32 H58 Co2 N16 O S8 Zn -","- C32 H58 Co2 N16 O S8 Zn -","- C64 H116 Co4 N32 O2 S16 Zn2 -","2","1","HJ1078","Neil F. Curtis; Kelly Flood; Ward T. Robinson","A cobalt(III) compound of a 13-membered cyclic tetraamine: <i>trans</i>-(12,12-dimethyl-1,4,7,10-tetraazacyclotetradecane)diisothiocyanatocobalt(III) tetraisothiocyanatozinc(II) ethanol solvate","Acta Crystallographica Section C","2006","62","2","m78","m80","10.1107/S0108270105042940","","","0.71073","MoKα","","0.0272","0.0236","","","0.0622","0.0644","","","","","","0.884","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014355","13.2379","0.0007","7.8883","0.0004","29.4118","0.0017","90","","90","","90","","3071.3","0.3","114","2","114","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-diethyl-N'-(7-iodoquinolin-4-yl)ethane-1,2-diamine","","- C15 H20 I N3 -","- C15 H20 I N3 -","- C120 H160 I8 N24 -","8","1","HJ1079","Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.","Three 4-aminoquinolines of antimalarial interest","Acta Crystallographica Section C","2006","62","2","o53","o57","10.1107/S0108270105041235","","","0.71073","MoKα","","0.0661","0.0362","","","0.0708","0.0811","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014356","28.0177","0.0004","6.8221","0.0009","18.9339","0.0004","90","","113.61","0.03","90","","3316.1","0.9","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine dihydrate","","- C15 H24 Br N3 O2 -","- C15 H24 Br N3 O2 -","- C120 H192 Br8 N24 O16 -","8","1","HJ1079","Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.","Three 4-aminoquinolines of antimalarial interest","Acta Crystallographica Section C","2006","62","2","o53","o57","10.1107/S0108270105041235","","","0.71073","MoKα","","0.0667","0.0365","","","0.0701","0.0799","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014357","11.096","0.0002","14.6481","0.0003","15.1797","0.0004","79.552","0.001","88.019","0.001","72.336","0.001","2311.38","0.09","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","7-chloro-4-[2-(diethylammonio)ethylamino]quinolinium bis(dihydrogenphosphate) phosphoric acid","","- C15 H29 Cl N3 O12 P3 -","- C15 H29 Cl N3 O12 P3 -","- C60 H116 Cl4 N12 O48 P12 -","4","2","HJ1079","Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.","Three 4-aminoquinolines of antimalarial interest","Acta Crystallographica Section C","2006","62","2","o53","o57","10.1107/S0108270105041235","","","0.71073","MoKα","","0.096","0.0542","","","0.1207","0.1397","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014358","7.324","0.0006","13.7493","0.0012","15.9016","0.0013","90","","90.72","0.002","90","","1601.2","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aqua(dinitrato-κ^2^O,O')cadmium(II)]-μ-1,2,3,6,7,8- hexahydrocinnolino[5,4,3-cde]cinnoline-κN^1^:κN^6^]","","- C12 H14 Cd N6 O7 -","- C12 H14 Cd N6 O7 -","- C48 H56 Cd4 N24 O28 -","4","1","HJ1086","Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Sieler, Joachim","Cadmium nitrate coordination polymers with substituted pyridazino[4,5-<i>d</i>]pyridazines","Acta Crystallographica Section C","2006","62","2","m70","m73","10.1107/S0108270106001181","","","0.71073","MoKα","","0.0255","0.0222","","","0.0548","0.0562","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014359","12.257","0.0012","12.5085","0.0011","15.8471","0.0014","90","","102.687","0.002","90","","2370.3","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[[[(dinitrato-κ^2^O,O')cadmium(II)]-μ-2,2,7,7-tetramethyl- 1,2,3,6,7,8-hexahydrocinnolino[5,4,3-cde]cinnoline-κN^1^:κN^6^] chloroform solvate]","","- C17 H21 Cd Cl3 N6 O6 -","- C17 H21 Cd Cl3 N6 O6 -","- C68 H84 Cd4 Cl12 N24 O24 -","4","1","HJ1086","Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Sieler, Joachim","Cadmium nitrate coordination polymers with substituted pyridazino[4,5-<i>d</i>]pyridazines","Acta Crystallographica Section C","2006","62","2","m70","m73","10.1107/S0108270106001181","","","0.71073","MoKα","","0.0287","0.0254","","","0.0621","0.0635","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014360","12.517","0.001","10.206","0.001","14.704","0.002","90","","111.747","0.007","90","","1744.7","0.3","223.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1',5'-dimethylspiro[10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5,8'- 4'-oxatricyclo[5.1.0.0^3,5^]octane]-2',6'-dione","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","HJ1087","Asahara, Haruyasu; Koizumi, Takuya; Mochizuki, Eiko; Oshima, Takumi","Two conformers of 10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cycloheptene spiro-linked with homobenzoquinone epoxide","Acta Crystallographica Section C","2006","62","3","o136","o138","10.1107/S0108270106002800","","","0.7107","MoKα","","","0.0863","","","","0.1884","","","","","","1.962","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014361","9.4653","0.0003","14.6974","0.0004","25.389","0.0009","90","","90","","90","","3532","0.19","213.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C184 H160 O24 -","8","1","HJ1087","Asahara, Haruyasu; Koizumi, Takuya; Mochizuki, Eiko; Oshima, Takumi","Two conformers of 10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cycloheptene spiro-linked with homobenzoquinone epoxide","Acta Crystallographica Section C","2006","62","3","o136","o138","10.1107/S0108270106002800","","","0.7107","MoKα","","","0.077","","","","0.1761","","","","","","1.9","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014362","6.98","0.001","10.936","0.002","18.955","0.003","90","","93.901","0.002","90","","1443.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II)","","- C12 H14 Cl N3 Ni O S -","- C12 H14 Cl N3 Ni O S -","- C48 H56 Cl4 N12 Ni4 O4 S4 -","4","1","HJ3001","Sun, Yu-Xi","Two different structures controlled by small secondary ligands: {4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II) and <i>catena</i>-poly[[{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","Acta Crystallographica Section C","2006","62","3","m109","m111","10.1107/S0108270106003118","","","0.71073","MoKα","","0.0632","0.0454","","","0.1043","0.1132","","","","","","1.031","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014363","6.75","0.001","19.893","0.002","20.585","0.002","90","","90","","90","","2764.1","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-poly[{4-chloro-2-[2- (dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","","- C11 H14 Cl N5 Ni O -","- C11 H14 Cl N5 Ni O -","- C88 H112 Cl8 N40 Ni8 O8 -","8","1","HJ3001","Sun, Yu-Xi","Two different structures controlled by small secondary ligands: {4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II) and <i>catena</i>-poly[[{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","Acta Crystallographica Section C","2006","62","3","m109","m111","10.1107/S0108270106003118","","","0.71073","MoKα","","0.0388","0.0295","","","0.0694","0.0738","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014364","12.2239","0.0002","12.2239","0.0002","12.2239","0.0002","90","","90","","90","","1826.54","0.05","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","tricesium lithium dicobalt tetrakis(tetraoxomolybdate)","","- Co2 Cs3 Li Mo4 O16 -","- Co2 Cs3 Li0.999999 Mo4 O16 -","- Co8 Cs12 Li4 Mo16 O64 -","4","0.0833333","IZ1066","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.","New triple molybdates Cs~3~LiCo~2~(MoO~4~)~4~ and Rb~3~LiZn~2~(MoO~4~)~4~, filled derivatives of the Cs~6~Zn~5~(MoO~4~)~8~ type","Acta Crystallographica Section C","2006","62","1","i6","i8","10.1107/S0108270105037121","","","0.71073","MoKα","","0.0254","0.0175","","","0.0368","0.038","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014365","11.9018","0.0014","11.9018","0.0014","11.9018","0.0014","90","","90","","90","","1685.9","0.3","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","trirubidium lithium dizinc tetrakis(tetraoxomolybdate)","","- Li Mo4 O16 Rb3 Zn2 -","- Li0.999999 Mo4 O16 Rb3 Zn2 -","- Li4 Mo16 O64 Rb12 Zn8 -","4","0.0833333","IZ1066","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.","New triple molybdates Cs~3~LiCo~2~(MoO~4~)~4~ and Rb~3~LiZn~2~(MoO~4~)~4~, filled derivatives of the Cs~6~Zn~5~(MoO~4~)~8~ type","Acta Crystallographica Section C","2006","62","1","i6","i8","10.1107/S0108270105037121","","","0.71073","MoKα","","0.0124","0.0114","","","0.0258","0.0259","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014366","8.7549","0.0012","8.9042","0.0012","9.0128","0.0013","95.81","0.003","114.955","0.002","103.061","0.003","604.96","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","BMIMPF6","1-butyl-3-methylimidazolium hexafluorophosphate","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C16 H30 F12 N4 P2 -","2","1","JZ1769","Dibrov, Sergey M.; Kochi, Jay K.","Crystallographic view of fluidic structures for room-temperature ionic liquids: 1-butyl-3-methylimidazolium hexafluorophosphate","Acta Crystallographica Section C","2006","62","1","o19","o21","10.1107/S0108270105037200","","","0.71073","MoKα","","0.0522","0.0434","","","0.1199","0.1253","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014367","10.775","0.002","11.668","0.002","14.29","0.003","90","","100.572","0.003","90","","1766.1","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{N-[2-(2-hydroxybenzamido)ethylammonioethyl]aminocarbonyl}phenolate","","- C18 H21 N3 O4 -","- C18 H21 N3 O4 -","- C72 H84 N12 O16 -","4","1","JZ1772","Liu, Hui-Min; He, Lei; Luo, Xiao-Lan; Zhang, Wen-Qin","A zwitterion of 1,5-bis(2-hydroxybenzamido)-3-azapentane: a two-dimensional hydrogen-bonding network involving dimers","Acta Crystallographica Section C","2006","62","2","o104","o106","10.1107/S0108270106001545","","","0.71073","MoKα","","0.0884","0.0413","","","0.097","0.1184","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014368","4.7087","0.0004","14.1428","0.0012","23.2401","0.0019","90","","90","","90","","1547.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","methyl β-L-lactoside","Methyl 4-O-β-L-galactopyranosyl-β-D-glucopyranoside","","- C13 H24 O11 -","- C13 H24 O11 -","- C52 H96 O44 -","4","1","JZ1778","Pan, Qingfeng; Noll, Bruce C.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>L</small>-galactopyranosyl-β-<small>D</small>-glucopyranoside (methyl β-<small>L</small>-lactoside)","Acta Crystallographica Section C","2006","62","2","o82","o85","10.1107/S010827010504254X","","","0.71073","MoKα","","0.0406","0.0333","","","0.0832","0.0876","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014369","5.473","0.0015","7.773","0.002","13.011","0.004","100.112","0.004","93.292","0.004","100.744","0.004","533","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","DL-lysine complex","bis(DL-lysinium) adipate","","- C18 H38 N4 O8 -","- C18 H38 N4 O8 -","- C18 H38 N4 O8 -","1","0.5","JZ1784","Sharma, Alok; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.","X-ray studies of crystalline complexes involving amino acids and peptides. XLIII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-lysine","Acta Crystallographica Section C","2006","62","3","o148","o152","10.1107/S0108270106003374","","","0.71073","MoKα","","0.048","0.044","","","0.1162","0.1195","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014370","10.532","0.003","7.2834","0.0017","10.599","0.003","90","","113.352","0.003","90","","746.4","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-lysine complex","L-lysine hydrogen adipate","","- C12 H24 N2 O6 -","- C12 H24 N2 O6 -","- C24 H48 N4 O12 -","2","1","JZ1784","Sharma, Alok; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.","X-ray studies of crystalline complexes involving amino acids and peptides. XLIII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-lysine","Acta Crystallographica Section C","2006","62","3","o148","o152","10.1107/S0108270106003374","","","0.71073","MoKα","","0.0565","0.051","","","0.1299","0.1345","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014371","10.776","0.007","7.483","0.005","26.381","0.018","90","","99.406","0.01","90","","2099","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy}-4-methyl-2H-chromen-2-one monohydrate","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","LN1189","Xiang Zhou; Xiao-Bing Wang; Ling-Yi Kong","Hydrogen bonding and π‒π stacking in 7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy}-4-methyl-2<i>H</i>-chromen-2-one monohydrate","Acta Crystallographica Section C","2006","62","2","o58","o61","10.1107/S0108270105040928","","","0.71073","MoKα","","0.0828","0.0456","","","0.1016","0.1235","","","","","","1.027","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014372","8.5175","0.0006","11.3011","0.0008","17.0503","0.0013","90","","90","","90","","1641.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-2-tert-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine- 4-carbaldehyde","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","LN1192","Flock, Susanne; Bruhn, Clemens; Fink, Heinrich; Frauenrath, Herbert","The absolute configuration of (2<i>S</i>,4<i>S</i>)- and (2<i>R</i>,4<i>R</i>)-2-<i>tert</i>-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine-4-carbaldehyde","Acta Crystallographica Section C","2006","62","2","o101","o103","10.1107/S0108270106001119","","","0.71073","MoKα","","0.0292","0.0254","","","0.0576","0.0588","","","","","","0.954","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014373","8.5276","0.0006","11.309","0.0011","17.0624","0.0012","90","","90","","90","","1645.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,4R)-2-tert-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine- 4-carbaldehyde","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","LN1192","Flock, Susanne; Bruhn, Clemens; Fink, Heinrich; Frauenrath, Herbert","The absolute configuration of (2<i>S</i>,4<i>S</i>)- and (2<i>R</i>,4<i>R</i>)-2-<i>tert</i>-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine-4-carbaldehyde","Acta Crystallographica Section C","2006","62","2","o101","o103","10.1107/S0108270106001119","","","0.71073","MoKα","","0.0298","0.0282","","","0.0755","0.0762","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014374","18.12","0.004","11.317","0.002","19.777","0.004","90","","90","","90","","4055.6","1.4","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}copper(II)","","- C22 H27 Cu N3 O2 -","- C22 H27 Cu N3 O2 -","- C176 H216 Cu8 N24 O16 -","8","1","LN3001","Mahbod Morshedi; Soraia Meghdadi; Schenk, Kurt J.","{2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}copper(II)","Acta Crystallographica Section C","2006","62","3","m87","m89","10.1107/S0108270105043258","","","0.71073","MoKα","","0.0736","0.0465","","","0.0896","0.0973","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014375","14.808","0.001","16.478","0.002","11.758","0.001","90","","90.84","0.01","90","","2868.7","0.5","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-poly[[[bis(ethylenediamine)platinum(II)]-μ-iodo- [bis(ethylenediamine)platinum(IV)]-μ-iodo] hydrogenphosphate dihydrogenphosphate iodide trihydrate]","","- C8 H41 I3 N8 O11 P2 Pt2 -","- C8 H41 I3 N8 O11 P2 Pt2 -","- C32 H164 I12 N32 O44 P8 Pt8 -","4","1","OB1246","Matsushita, Nobuyuki","A one-dimensional iodine-bridged Pt^II^/Pt^IV^ mixed-valence complex, <i>catena</i>-poly[[[bis(ethylenediamine)platinum(II)]-μ-iodo-[bis(ethylenediamine)platinum(IV)]-μ-iodo] hydrogenphosphate dihydrogenphosphate iodide trihydrate]","Acta Crystallographica Section C","2006","62","2","m33","m36","10.1107/S0108270105041247","","","0.71069","MoKα","","","0.0325","","","0.083","0.0836","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014376","9.815","0.003","13.105","0.003","32.039","0.007","90","","96.62","0.015","90","","4093.6","1.8","298","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(6,7-Dimethyl-2,3-di-2-pyridylquinoxaline)bis(3-methylpyridine)platinum(II) bis(hexafluorophosphate) acetone solvate 0.5-hydrate","","- C35 H37 F12 N6 O1.5 P2 Pt -","- C35 H37 F12 N6 O1.5 P2 Pt -","- C140 H148 F48 N24 O6 P8 Pt4 -","4","1","RB1020","Rotondo, Archimede","(6,7-Dimethyl-2,3-di-2-pyridylquinoxaline)bis(3-methylpyridine)platinum(II) bis(hexafluorophosphate) acetone solvate 0.5-hydrate","Acta Crystallographica Section C","2006","62","1","m19","m21","10.1107/S0108270105040163","","","0.71073","MoKα","","","0.067","","","","0.1219","","","","","","1.016","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014377","10.3369","0.0011","9.6662","0.001","15.4737","0.0016","90","","105.72","0.002","90","","1488.3","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquamalonato(1,10-phenanthroline)zinc(II)","","- C15 H14 N2 O6 Zn -","- C15 H14 N2 O6 Zn -","- C60 H56 N8 O24 Zn4 -","4","1","SF1018","Xu-Cheng Fu; Ming-Tian Li; Cheng-Gang Wang","Diaquamalonato(1,10-phenanthroline)zinc(II)","Acta Crystallographica Section C","2006","62","1","m13","m15","10.1107/S0108270105038047","","","0.71073","MoKα","","0.0442","0.0328","","","0.0682","0.0713","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014378","5.5803","0.0003","11.5739","0.001","13.142","0.0008","90","","98.66","0.005","90","","839.11","0.1","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","Benzoin-4-ethylthiosemicarbazone","2-hydroxy-1,2-diphenylethanone 4-ethylthiosemicarbazone","","- C17 H19 N3 O S -","- C17 H19 N3 O S -","- C34 H38 N6 O2 S2 -","2","1","SF1021","Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim; Büyükgüngör, Orhan","Benzoin 4-ethylthiosemicarbazone","Acta Crystallographica Section C","2006","62","1","o13","o15","10.1107/S0108270105037728","","","0.71073","MoKα","","0.0743","0.0483","","","0.1226","0.135","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014379","7.151","0.003","21.43","0.004","18.274","0.003","90","","95.479","0.01","90","","2787.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methyl 4-{cis-2-[3-fluoro-5-(4-methoxy-3,4,5,6-tetrahydro-2H-pyran- 4-yl)phenoxymethyl]-6-hydroxy-3-phenylmorpholino}benzenesulfinate","","- C30 H34 F N O7 S -","- C30 H34 F N O7 S -","- C120 H136 F4 N4 O28 S4 -","4","1","SF1022","Charlier, Caroline; Delayen, Aurelie; Norberg, Bernadette; Hénichart, Jean-Pierre; Wouters, Johan","(2<i>RS</i>,5<i>SR</i>,6<i>SR</i>)-Methyl 4-{<i>cis</i>-2-[3-fluoro-5-(4-methoxy-3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)phenoxymethyl]-6-hydroxy-3-phenylmorpholino}benzenesulfinate","Acta Crystallographica Section C","2006","62","2","o92","o94","10.1107/S0108270106001065","","","1.54178","CuKα","","0.0901","0.0605","","","0.1591","0.1763","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014380","10.333","0.002","28.914","0.005","41.642","0.008","90","","90","","90","","12441","4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H36 B3 N3 O6 -","- C45 H108 B9 N9 O18 -","- C360 H864 B72 N72 O144 -","8","1","SF1024","Gainsford, Graeme J.; Al-Salim, Najeh","Three-in-one: the novel packing and structures of three independent molecules of a tricyclic boron compound","Acta Crystallographica Section C","2006","62","2","o65","o67","10.1107/S0108270105041089","","","0.71073","MoKα","","0.1858","0.0695","","","0.1123","0.1447","","","","","","0.975","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014381","11.3652","0.0002","16.3372","0.0003","14.0065","0.0003","90","","109.949","0.001","90","","2444.62","0.08","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[bis(3-phenylpyrazol-1-yl)(pyrazol-1-yl)methane]copper(II) bis(perchlorate) acetonitrile solvate","","- C48 H42 Cl2 Cu N14 O8 -","- C48 H42 Cl2 Cu N14 O8 -","- C96 H84 Cl4 Cu2 N28 O16 -","2","0.5","SF1025","Goodman, M. Scott; Goodman, Margaret A.; Kovalevsky, Andrey Y.; Nazarenko, Alexander Y.; Pope, Donald","Bis[bis(3-phenylpyrazol-1-yl)(pyrazol-1-yl)methane]copper(II) bis(perchlorate) acetonitrile disolvate","Acta Crystallographica Section C","2006","62","2","m30","m32","10.1107/S0108270105041661","","","0.71073","MoKα","","0.0382","0.0323","","","0.085","0.0882","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014382","8.8451","0.0005","9.751","0.003","16.1106","0.001","98.127","0.008","90.392","0.005","107.899","0.01","1307.2","0.4","291","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,2,4,4-Tetra-tert-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaldehyde","","- C23 H40 O4 Si2 -","- C23 H40 O4 Si2 -","- C46 H80 O8 Si4 -","2","1","SF1028","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Siquet, C.; Borges, F.","2,2,4,4-Tetra-<i>tert</i>-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaldehyde","Acta Crystallographica, Section C: Crystal Structure Communications","2006","62","2","o96","o97","10.1107/s0108270105043052","","","1.54178","CuKα","","0.0711","0.0483","","","0.1294","0.1479","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","277834","2022-09-14","16:39:43",""
"2014383","4.0511","0.0009","12.076","0.003","12.771","0.003","90","","90.287","0.012","90","","624.8","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(3-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C28 H20 N4 O10 -","2","1","SK1880","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-(3-Nitrophenylaminocarbonyl)benzoic acid: hydrogen-bonded sheets of <i>R</i>~4~^4^(22) rings","Acta Crystallographica Section C","2006","62","1","o5","o7","10.1107/S0108270105033512","","","0.71073","MoKα","","0.1264","0.0671","","","0.147","0.2008","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014384","7.1162","0.0004","7.1895","0.0002","9.1695","0.0004","83.21","0.003","78.92","0.002","64.808","0.003","416.25","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(E,E)-N,N'-bis(4-nitrobenzylidene)butane-1,4-diamine","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","1","0.5","SK1882","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three-dimensional supramolecular structures in (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)butane-1,4-diamine and (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)hexane-1,6-diamine","Acta Crystallographica Section C","2006","62","1","o1","o4","10.1107/S0108270105035766","","","0.71073","MoKα","","0.0498","0.0395","","","0.1069","0.1144","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014385","6.1908","0.0003","4.9761","0.0002","30.1095","0.0015","90","","94.331","0.003","90","","924.91","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,E)-N,N'-bis(4-nitrobenzylidene)hexane-1,6-diamine","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C40 H44 N8 O8 -","2","0.5","SK1882","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three-dimensional supramolecular structures in (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)butane-1,4-diamine and (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)hexane-1,6-diamine","Acta Crystallographica Section C","2006","62","1","o1","o4","10.1107/S0108270105035766","","","0.71073","MoKα","","0.0695","0.0445","","","0.1023","0.1133","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014386","8.0214","0.0003","13.7477","0.0004","13.2847","0.0004","90","","95.3019","0.0017","90","","1458.71","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 5-cyano-2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3-carboxylate","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C60 H60 N12 O20 -","4","1","SK1887","Quesada, Antonio; DaSilva, Jacqueline A.; Squella, Juan A.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded supramolecular structures of three related 4-(5-nitro-2-furyl)-1,4-dihydropyridines","Acta Crystallographica Section C","2006","62","1","o8","o12","10.1107/S0108270105037753","","","0.71073","MoKα","","0.0657","0.0478","","","0.1218","0.1324","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014387","8.0511","0.0002","15.173","0.004","14.47","0.004","90","","105.76","0.002","90","","1701.2","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethyl 2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C17 H20 N2 O7 -","- C17 H20 N2 O7 -","- C68 H80 N8 O28 -","4","1","SK1887","Quesada, Antonio; DaSilva, Jacqueline A.; Squella, Juan A.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded supramolecular structures of three related 4-(5-nitro-2-furyl)-1,4-dihydropyridines","Acta Crystallographica Section C","2006","62","1","o8","o12","10.1107/S0108270105037753","","","0.71073","MoKα","","0.0626","0.0465","","","0.118","0.1275","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014388","9.5651","0.0003","7.5735","0.0002","17.6385","0.0005","90","","96.257","0.0013","90","","1270.14","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarbonitrile","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","SK1887","Quesada, Antonio; DaSilva, Jacqueline A.; Squella, Juan A.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded supramolecular structures of three related 4-(5-nitro-2-furyl)-1,4-dihydropyridines","Acta Crystallographica Section C","2006","62","1","o8","o12","10.1107/S0108270105037753","","","0.71073","MoKα","","0.0543","0.0392","","","0.0959","0.1051","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014389","5.5055","0.0002","11.8317","0.0003","13.5668","0.0004","83.321","0.0017","78.956","0.0017","86.396","0.0018","860.73","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-3-methyl-4-[3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenyl- 1H-pyrazole","","- C19 H16 Cl N5 O2 -","- C19 H16 Cl N5 O2 -","- C38 H32 Cl2 N10 O4 -","2","1","SK1888","Insuasty, Braulio; Torres, Harlen; Cobo, Justo; Low, John N.; Glidewell, Christopher","5-Chloro-3-methyl-4-[3-(4-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]-1-phenyl-1<i>H</i>-pyrazole: a chain of fused hydrogen-bonded rings","Acta Crystallographica Section C","2006","62","1","o30","o32","10.1107/S0108270105038023","","","0.71073","MoKα","","0.0589","0.0396","","","0.0925","0.1022","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014390","4.5664","0.0004","18.727","0.002","10.8416","0.001","90","","101.787","0.006","90","","907.57","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 3,5-dinitrobenzoate","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","1","SK1889","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K","Acta Crystallographica Section C","2006","62","1","o26","o29","10.1107/S0108270105038631","","","0.71073","MoKα","","0.101","0.0577","","","0.1531","0.1744","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014391","9.7037","0.0003","5.7152","0.0002","20.4739","0.0009","90","","95.504","0.002","90","","1130.22","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Isopropyl 3,5-dinitrobenzoate","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C40 H40 N8 O24 -","4","1","SK1889","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K","Acta Crystallographica Section C","2006","62","1","o26","o29","10.1107/S0108270105038631","","","0.71073","MoKα","","0.0532","0.0385","","","0.0957","0.1045","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014392","20.8531","0.0005","20.8531","0.0005","6.0377","0.0002","90","","90","","90","","2625.5","0.12","120","2","120","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","Benzyl 3,5-dinitrobenzoate?","","- C14 H10 N2 O6 -","- C14 H10 N2 O6 -","- C112 H80 N16 O48 -","8","1","SK1889","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K","Acta Crystallographica Section C","2006","62","1","o26","o29","10.1107/S0108270105038631","","","0.71073","MoKα","","0.0581","0.0432","","","0.0958","0.103","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014393","9.4416","0.0009","9.4416","0.0009","20.213","0.004","90","","90","","90","","1801.9","0.4","293","2","293","2","","","","","","","","5","P 41","P 4w","76","glycine trichloroacetate","Glycinium trichloroacetate","","- C4 H6 Cl3 N O4 -","- C4 H6 Cl3 N O4 -","- C32 H48 Cl24 N8 O32 -","8","2","SK1890","Rodrigues, V. H.; Matos Beja, A.; Paixão, J. A.; Costa, M. M. R. R.","Glycinium trichloroacetate","Acta Crystallographica Section C","2006","62","2","o71","o72","10.1107/S0108270105040953","","","0.71073","MoKα","","0.0899","0.0451","","","0.1247","0.1454","","","","","","1.087","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014394","11.2405","0.0002","18.8738","0.0003","21.0529","0.0003","90","","90","","90","","4466.39","0.12","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione","","- C26 H18 Cl3 N O2 -","- C26 H18 Cl3 N O2 -","- C208 H144 Cl24 N8 O16 -","8","1","SK1891","Insuasty, Braulio; Torres, Harlen; Cobo, Justo; Low, John N.; Glidewell, Christopher","1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione: sheets of <i>R</i>~4~^4^(26) rings built from C—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","1","o39","o41","10.1107/S0108270105039193","","","0.71073","MoKα","","0.0624","0.0421","","","0.1036","0.1156","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014395","5.5718","0.0005","13.4573","0.0017","5.7875","0.0005","90","","109.984","0.006","90","","407.83","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-1,3,4-thiadiazole","","- C2 H3 N3 S -","- C2 H3 N3 S -","- C8 H12 N12 S4 -","4","1","SK1892","Boechat, Nubia; Ferreira, Sabrina B.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.","2-Amino-5-trifluoromethyl-1,3,4-thiadiazole and a redetermination of 2-amino-1,3,4-thiadiazole, both at 120K: chains of edge-fused <i>R</i>~2~^2^(8) and <i>R</i>~4~^4^(10) rings, and sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(20) rings","Acta Crystallographica Section C","2006","62","1","o42","o44","10.1107/S0108270105040126","","","0.71073","MoKα","","0.0656","0.0384","","","0.0935","0.102","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014396","9.1082","0.0012","6.9373","0.001","10.8048","0.0014","90","","116.656","0.009","90","","610.15","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-5-trifluoromethyl-1,3,4-thiadiazole","","- C3 H2 F3 N3 S -","- C3 H2 F3 N3 S -","- C12 H8 F12 N12 S4 -","4","1","SK1892","Boechat, Nubia; Ferreira, Sabrina B.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.","2-Amino-5-trifluoromethyl-1,3,4-thiadiazole and a redetermination of 2-amino-1,3,4-thiadiazole, both at 120K: chains of edge-fused <i>R</i>~2~^2^(8) and <i>R</i>~4~^4^(10) rings, and sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(20) rings","Acta Crystallographica Section C","2006","62","1","o42","o44","10.1107/S0108270105040126","","","0.71073","MoKα","","0.0633","0.0452","","","0.1048","0.1127","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014397","6.6765","0.0004","19.7961","0.0013","9.0675","0.0005","90","","113.595","0.004","90","","1098.25","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-Nitrophenylaminocarbonyl)propionic acid","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","1","SK1893","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","3-(3-Nitrophenylaminocarbonyl)propionic acid: hydrogen-bonded sheets of alternating <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(36) rings","Acta Crystallographica Section C","2006","62","1","o45","o46","10.1107/S0108270105040229","","","0.71073","MoKα","","0.0765","0.0435","","","0.1046","0.115","","","","","","0.913","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014398","6.4224","0.0003","7.2115","0.0005","23.6073","0.0016","90","","90","","90","","1093.38","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pyrrole-2-carbaldehyde isonicotinoylhydrazone monohydrate","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C44 H48 N16 O8 -","4","1","SK1894","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Pyrrole-2-carbaldehyde isonicotinoylhydrazone monohydrate redetermined at 120K","Acta Crystallographica Section C","2006","62","1","o47","o49","10.1107/S0108270105040230","","","0.71073","MoKα","","0.0627","0.0538","","","0.138","0.1479","","","","","","1.17","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014399","10.131","0.0003","17.2172","0.0006","14.4288","0.0005","90","","103.957","0.002","90","","2442.48","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-difluorobenzaldehyde benzoylhydrazone","","- C14 H10 F2 N2 O -","- C14 H10 F2 N2 O -","- C112 H80 F16 N16 O8 -","8","2","SK1895","Wardell, Solange M. S. V.; de Lima Ferreira, Marcelle; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2,4-Difluorobenzaldehyde benzoylhydrazone and 2,4-dichlorobenzaldehyde benzoylhydrazone are isostructural at 120K with <i>Z</i>' = 2: complex sheets built from N—H···O, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","3","o118","o121","10.1107/S0108270106001995","","","0.71073","MoKα","","0.0967","0.0527","","","0.1137","0.1303","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014400","10.5093","0.0005","17.6499","0.0009","14.7982","0.0005","90","","104.732","0.002","90","","2654.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-dichlorobenzaldehyde benzoylhydrazone","","- C14 H10 Cl2 N2 O -","- C14 H10 Cl2 N2 O -","- C112 H80 Cl16 N16 O8 -","8","2","SK1895","Wardell, Solange M. S. V.; de Lima Ferreira, Marcelle; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2,4-Difluorobenzaldehyde benzoylhydrazone and 2,4-dichlorobenzaldehyde benzoylhydrazone are isostructural at 120K with <i>Z</i>' = 2: complex sheets built from N—H···O, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","3","o118","o121","10.1107/S0108270106001995","","","0.71073","MoKα","","0.1182","0.061","","","0.1343","0.155","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014401","16.0941","0.0005","5.5573","0.0002","15.2495","0.0005","90","","96.2994","0.0017","90","","1355.68","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine","","- C15 H16 N4 S -","- C15 H16 N4 S -","- C60 H64 N16 S4 -","4","1","SK1896","Insuasty, Henry; Estrada, Martin; Cobo, Justo; Low, John N.; Glidewell, Christopher","Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine and hydrogen-bonded sheets of <i>R</i>~2~^2^(10), <i>R</i>~2~^2^(16), <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(24) rings in 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine","Acta Crystallographica Section C","2006","62","3","o122","o124","10.1107/S0108270106002952","","","0.71073","MoKα","","0.0607","0.0442","","","0.1146","0.1243","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014402","7.9401","0.0002","8.8642","0.0003","11.3717","0.0004","68.771","0.0017","85.792","0.002","72.214","0.002","709.77","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-a][1,3,5]triazine","","- C14 H13 N5 O2 S -","- C14 H13 N5 O2 S -","- C28 H26 N10 O4 S2 -","2","1","SK1896","Insuasty, Henry; Estrada, Martin; Cobo, Justo; Low, John N.; Glidewell, Christopher","Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine and hydrogen-bonded sheets of <i>R</i>~2~^2^(10), <i>R</i>~2~^2^(16), <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(24) rings in 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine","Acta Crystallographica Section C","2006","62","3","o122","o124","10.1107/S0108270106002952","","","0.71073","MoKα","","0.0662","0.0425","","","0.096","0.1064","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014403","28.007","0.002","7.6637","0.0006","13.3083","0.001","90","","93.937","0.004","90","","2849.7","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Racemic cis-methoxobis(2-methyl-3-oxo-4H-pyran-4-olato)oxovanadium(V)","","- C13 H13 O8 V -","- C13 H13 O8 V -","- C104 H104 O64 V8 -","8","1","SK1897","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Racemic <i>cis</i>-methoxobis(2-methyl-3-oxo-4<i>H</i>-pyran-4-olato)oxovanadium(V) redetermined at 120K: hydrogen-bonded ribbons containing <i>R</i>~2~^2^(7), <i>R</i>~2~^2^(14) and <i>R</i>~4~^4^(18) rings","Acta Crystallographica Section C","2006","62","3","m116","m118","10.1107/S0108270106003404","","","0.71073","MoKα","","0.1311","0.069","","","0.1344","0.1578","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014404","7.7824","0.0002","8.9623","0.0003","10.5078","0.0004","90","","95.261","0.002","90","","729.81","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5,6-Triamino-2-(methylsulfanyl)pyrimidine","","- C5 H9 N5 S -","- C5 H9 N5 S -","- C20 H36 N20 S4 -","4","1","SK1899","Cobo, Justo; Sánchez Rodrigo, Adolfo; Nogueras Montiel, Manuel; Low, John N.; Glidewell, Christopher","4,5,6-Triamino-2-(methylsulfanyl)pyrimidine: π-stacked hydrogen-bonded sheets of <i>R</i>~2~^2^(8), <i>R</i>~2~^2^(10) and <i>R</i>~6~^6^(32) rings","Acta Crystallographica Section C","2006","62","3","o142","o144","10.1107/S0108270106003805","","","0.71073","MoKα","","0.0315","0.0285","","","0.0711","0.0729","","","","","","1.113","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014405","17.859","0.002","17.994","0.002","8.692","0.001","90","","90","","90","","2793.2","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetraethylammonium bis(N,N-diethyldithiocarbamato-κ^2^S,S')iodocadmate(II)","","- C18 H40 Cd I N3 S4 -","- C18 H40 Cd I N3 S4 -","- C72 H160 Cd4 I4 N12 S16 -","4","0.5","SK3001","Kropidłowska, Anna; Chojnacki, Jarosław; Becker, Barbara","Tetraethylammonium bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')iodocadmate(II)","Acta Crystallographica Section C","2006","62","3","m95","m97","10.1107/S010827010600206X","","","0.71073","MoKα","","0.0564","0.0542","","","0.1162","0.1175","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014406","9.654","0.002","7.769","0.002","5.5692","0.0014","90","","90","","90","","417.7","0.17","174","2","174","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","dimethyldithiocyanatotin(IV)","","- C4 H6 N2 S2 Sn -","- C4 H6 N2 S2 Sn -","- C8 H12 N4 S4 Sn2 -","2","0.25","SK3002","Britton, Doyle","Dimethyl- and diethyldithiocyanatotin(IV)","Acta Crystallographica Section C","2006","62","3","m93","m94","10.1107/S0108270106002034","","","0.71073","MoKα","","0.0096","0.009","","","0.0223","0.0224","","","","","","1.11","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014407","14.449","0.004","5.5526","0.0014","12.66","0.003","90","","90","","90","","1015.7","0.5","174","2","174","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diethyltindithiocyanatotin(IV)","","- C6 H10 N2 S2 Sn -","- C6 H10 N2 S2 Sn -","- C24 H40 N8 S8 Sn4 -","4","0.5","SK3002","Britton, Doyle","Dimethyl- and diethyldithiocyanatotin(IV)","Acta Crystallographica Section C","2006","62","3","m93","m94","10.1107/S0108270106002034","","","0.71073","MoKα","","0.0147","0.0137","","","0.0323","0.0327","","","","","","1.16","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014408","9.0642","0.0003","10.273","0.0003","12.1188","0.0004","108.051","0.017","98.741","0.002","107.517","0.002","985.03","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Trimethoprim picolinate","5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-d-aminopyrimidin-1-ium pyridine-2-carboxylate","","- C20 H23 N5 O5 -","- C20 H23 N5 O5 -","- C40 H46 N10 O10 -","2","1","SQ1233","Madhukar Hemamalini; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonding patterns in trimethoprim picolinate and 2-amino-4,6-dimethylpyrimidinium picolinate hemihydrate","Acta Crystallographica Section C","2006","62","2","o107","o110","10.1107/S0108270105037856","","","0.71073","MoKα","","0.0613","0.0506","","","0.1322","0.1408","","","","","","1.126","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014409","15.7666","0.0004","8.798","0.0001","18.5038","0.0004","90","","102.74","0.001","90","","2503.56","0.09","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-amino-4,6-dimethylpyrimidinium picolinate hemihydrate","2-amino-4,6-dimethylpyrimidin-1-ium pyridine-2-carboxylate hemihydrate","","- C12 H15 N4 O2.5 -","- C12 H15 N4 O2.5 -","- C96 H120 N32 O20 -","8","1","SQ1233","Madhukar Hemamalini; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonding patterns in trimethoprim picolinate and 2-amino-4,6-dimethylpyrimidinium picolinate hemihydrate","Acta Crystallographica Section C","2006","62","2","o107","o110","10.1107/S0108270105037856","","","0.71073","MoKα","","0.0641","0.0601","","","0.1382","0.143","","","","","","1.255","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014410","10.7871","0.0004","11.8221","0.0004","12.7061","0.0005","91.609","0.002","90.39","0.002","92.774","0.002","1617.77","0.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-diphenylphosphinato-κ^2^O:O')bis[aqua(diphenylphosphinato- κO)bis(pyridine-κN)cobalt(II)]","","- C68 H64 Co2 N4 O10 P4 -","- C68 H64 Co2 N4 O10 P4 -","- C68 H64 Co2 N4 O10 P4 -","1","0.5","SQ1241","Liange de Oliveira Diehl; Márcia R. Siqueira; Robert A. Burrow","Bis(μ-diphenylphosphinato-κ^2^<i>O</i>:<i>O</i>')bis[aqua(diphenylphosphinato-κ<i>O</i>)bis(pyridine-κ<i>N</i>)cobalt(II)]","Acta Crystallographica Section C","2006","62","2","m67","m69","10.1107/S0108270106000680","","","0.71073","MoKα","","0.0565","0.0337","","","0.0843","0.091","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014411","16.7069","0.0007","7.8826","0.0003","21.2218","0.0008","90","","104.129","0.001","90","","2710.23","0.18","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(±)-1-Methyl-1,3,6-triphenyl-7-(2-phenylpropenyl)-1,2-dihydronaphthalene","","- C38 H32 -","- C38 H32 -","- C152 H128 -","4","1","SQ3001","Sui, Yongqiang; Barnes, Charles; Glaser, Rainer","(±)-1-Methyl-1,3,6-triphenyl-7-(2-phenylpropenyl)-1,2-dihydronaphthalene","Acta Crystallographica Section C","2006","62","2","o98","o100","10.1107/S0108270106000023","","","0.71073","MoKα","","0.0635","0.0445","","","0.1047","0.1135","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014412","6.3525","0.0008","9.0459","0.0011","10.3907","0.0012","84.282","0.002","72.332","0.002","89.558","0.002","565.94","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[bis(pentane-2,4-dionato-κ^2^O,O')zinc]-μ- 1,4-bis(4-pyridyl)-2,3-diazabuta-1,3-diene]","","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","1","0.5","SQ3002","Juan Granifo; María Teresa Garland; Ricardo Baggio","Two one-dimensional zinc(II) coordination polymers: <i>catena</i>-poly[[bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-1,4-bis(<i>x</i>-pyridyl)-2,3-diazabuta-1,3-diene] (<i>x</i> = 3, 4)","Acta Crystallographica Section C","2006","62","2","m56","m59","10.1107/S0108270106000540","","","0.71073","MoKα","","0.0361","0.0351","","","0.0965","0.0971","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014413","6.8637","0.0011","8.6257","0.0014","9.9497","0.0016","80.536","0.003","73.444","0.003","77.31","0.003","547.57","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[bis(pentane-2,4-dionato-κ^2^O,O')zinc]-μ- 1,4-bis(3-pyridyl)-2,3-diazabuta-1,3-diene]","","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","1","0.5","SQ3002","Juan Granifo; María Teresa Garland; Ricardo Baggio","Two one-dimensional zinc(II) coordination polymers: <i>catena</i>-poly[[bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-1,4-bis(<i>x</i>-pyridyl)-2,3-diazabuta-1,3-diene] (<i>x</i> = 3, 4)","Acta Crystallographica Section C","2006","62","2","m56","m59","10.1107/S0108270106000540","","","0.71073","MoKα","","0.0711","0.054","","","0.115","0.1249","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014414","11.9816","0.001","12.5387","0.0013","6.4407","0.001","90","","114.621","0.008","90","","879.64","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disodium dimanganese aluminium tris(phosphate)","","- Al0.85 Mn2.48 Na1.5 O12 P3 -","- Al0.854 Mn2.435 Na1.51 O12 P3 -","- Al3.416 Mn9.74 Na6.04 O48 P12 -","4","0.5","TA1500","Hatert, Frédéric","Na~1.50~Mn~2.48~Al~0.85~(PO~4~)~3~, a new synthetic alluaudite-type compound","Acta Crystallographica Section C","2006","62","1","i1","i2","10.1107/S0108270105037236","","","0.71073","MoKα","","0.0403","0.0317","","","0.0717","0.0754","","","","","","1.069","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014415","16.492","0.003","16.804","0.003","24.519","0.005","90","","109.07","0.03","90","","6422","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-acetato-μ-{2-[N,N-bis(2-pyridylmethyl)aminomethyl]-6-[N-(3,5-di-tert- butyl-2-oxidobenzyl)-N-(2-pyridylmethylamino)amino]-4- methylphenolato}dimanganese(II,III) tetraphenylborate","","- C70 H75 B Mn2 N5 O6 -","- C70 H75 B Mn2 N5 O6 -","- C280 H300 B4 Mn8 N20 O24 -","4","1","TA1508","Bortoluzzi, Adailton J.; Neves, Ademir; Couto, Ricardo A. A.; Peralta, Rosely A.","A mixed-valence diacetate-bridged Mn^II^‒Mn^III^ complex incorporating a bridging phenolate ligand","Acta Crystallographica Section C","2006","62","2","m27","m29","10.1107/S0108270105039910","","","0.71073","MoKα","","0.202","0.0522","","","0.1087","0.1272","","","","","","0.856","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014416","17.263","0.002","7.5673","0.0007","10.4757","0.0008","90","","93.128","0.008","90","","1366.4","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-amino-2-(2-O-methyl-β-D-ribofuranosyl)-2H-pyrazolo[3,4-d]pyrimidine monohydrate","","- C11 H17 N5 O5 -","- C11 H17 N5 O5 -","- C44 H68 N20 O20 -","4","1","TR1128","Zhang, Xiaomei; Budow, Simone; Leonard, Peter; Eickmeier, Henning; Seela, Frank","<i>N</i>^8^-(2'-<i>O</i>-Methylribofuranosyl)-8-aza-7-deazaadenine monohydrate","Acta Crystallographica Section C","2006","62","2","o79","o81","10.1107/S0108270105041983","","","0.71073","MoKα","","0.0371","0.0359","","","0.1064","0.1077","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014417","11.895","0.002","13.124","0.002","15.564","0.003","90","","104.66","0.02","90","","2350.6","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Dichloro(1,2-dimethoxyethane)bis(tosylimido)molybdenum(VI)","Dichloro(dimethoxyethano)bis(para-toluenesulfonimino-N)molybdenum(VI)","","- C18 H24 Cl2 Mo N2 O6 S2 -","- C18 H24 Cl2 Mo N2 O6 S2 -","- C72 H96 Cl8 Mo4 N8 O24 S8 -","4","1","TY1010","Rufanov, Konstantin A.; Ziemer, Burkhard","Dichloro(1,2-dimethoxyethane)bis(tosylimido)molybdenum(VI), a versatile nitrene transfer reagent","Acta Crystallographica Section C","2006","62","2","m54","m55","10.1107/S0108270105042484","","","0.71073","MoKα","","0.0402","0.0307","","","0.0677","0.0708","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014418","22.749","0.004","9.5867","0.0015","7.9484","0.0014","90","","99.787","0.005","90","","1708.2","0.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[cadmium(II)-μ~2~-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene-di-μ~2~- thiocyanato]","","- C14 H12 Cd N8 S2 -","- C14 H12 Cd N8 S2 -","- C56 H48 Cd4 N32 S8 -","4","0.5","TY1011","Bao-Zong Li; Xun-Gao Liu; Yan-Fen Peng; Bao-Long Li; Yong Zhang","A novel three-dimensional cadmium(II) coordination polymer incorporating 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and thiocyanate","Acta Crystallographica Section C","2006","62","2","m41","m44","10.1107/S0108270105042125","","","0.71073","MoKα","","0.0252","0.0227","","","0.0549","0.0562","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015222","8.9527","0.0012","10.7737","0.0014","16.977","0.002","74.525","0.002","78.926","0.002","70.318","0.002","1476.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,7,7,12,14,14-hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane pentacyanonitrosoferrate(II)","","- C21 H42 Fe N10 O3 -","- C21 H42 Fe N10 O3 -","- C42 H84 Fe2 N20 O6 -","2","1","AV1254","Ai-Hua Yuan; Xiao-Ping Shen; Hu Zhou","5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane pentacyanonitrosoferrate(II) dihydrate: a supramolecular compound constructed by hydrogen bonds","Acta Crystallographica Section C","2006","62","4","m161","m162","10.1107/S0108270105035146","","","0.71073","MoKα","","0.0899","0.0575","","","0.1192","0.1261","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015223","27.066","0.002","12.4657","0.0011","21.3066","0.0019","90","","125.889","0.001","90","","5824","0.9","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tris(cyclohexane-1,2-diamine-κ^2^N,N')cobalt pentachloroplumbate sesquihydrate, [Co(C~6~H~14~N~2~)~3~][PbCl~5~].1.5H~2~O","","- C18 H45 Cl5 Co N6 O1.5 Pb -","- C18 H45 Cl5 Co N6 O1.5 Pb -","- C144 H360 Cl40 Co8 N48 O12 Pb8 -","8","1","AV1278","Kalf, Irmgard; Englert, Ulli","The first salt of an isolated pentachloroplumbate(II) trianion","Acta Crystallographica Section C","2006","62","4","m129","m131","10.1107/S010827010600429X","","","0.71073","MoKα","","0.0335","0.0263","","","0.047","0.0479","","","","","","1.013","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015224","11.6191","0.001","6.1749","0.0005","12.0431","0.001","90","","113.394","0.002","90","","793.03","0.12","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S)-3-[(2R,3S)-3-Hydroxy-2-methyl-3-phenylpropionyl]-4- isopropyloxazolidin-2-one","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","AV1281","Hwang, In-Chul; Jang, Jung Hee; Kim, Taek Hyeon; Ha, Kwang","(4<i>S</i>)-3-[(2<i>R</i>,3<i>S</i>)-3-Hydroxy-2-methyl-3-phenylpropionyl]-4-isopropyloxazolidin-2-one","Acta Crystallographica Section C","2006","62","4","o196","o198","10.1107/S0108270106004884","","","0.71073","MoKα","","0.1064","0.0404","","","0.0519","0.0614","","","","","","0.817","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015225","14.3475","0.0012","14.3475","0.0012","14.3475","0.0012","90","","90","","90","","2953.4","0.4","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","bis[hydrotris(pyrazolyl)borato]magnesium(II) chloroform disolvate","","- C20 H22 B2 Cl6 Mg N12 -","- C20 H22 B2 Cl6 Mg N12 -","- C80 H88 B8 Cl24 Mg4 N48 -","4","0.166667","BM1623","María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez","Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates","Acta Crystallographica Section C","2006","62","4","m132","m135","10.1107/S0108270106002575","","","0.71073","MoKα","","0.0612","0.0597","","","0.1229","0.1236","","","","","","1.222","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015226","14.6697","0.0009","14.6697","0.0009","14.6697","0.0009","90","","90","","90","","3156.9","0.3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","bis[hydrotris(pyrazolyl)borato]calcium(II) chloroform disolvate","","- C20 H22 B2 Ca Cl6 N12 -","- C20 H22 B2 Ca Cl6 N12 -","- C80 H88 B8 Ca4 Cl24 N48 -","4","0.166667","BM1623","María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez","Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates","Acta Crystallographica Section C","2006","62","4","m132","m135","10.1107/S0108270106002575","","","0.71073","MoKα","","0.0521","0.0514","","","0.1082","0.1085","","","","","","1.308","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015227","7.898","0.005","8.4607","0.0019","13.587","0.002","90","","90","","90","","907.9","0.6","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclopentanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.4]nonane-2,4-dithione","","- C7 H10 N2 S2 -","- C7 H10 N2 S2 -","- C28 H40 N8 S8 -","4","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.0849","0.0509","","","0.1118","0.1257","","","","","","1.054","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015228","8.6896","0.001","12.2674","0.0015","9.7864","0.001","90","","109.86","0.09","90","","981.2","0.6","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cyclohexanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.5]decane-2,4-dithione","","- C8 H12 N2 S2 -","- C8 H12 N2 S2 -","- C32 H48 N8 S8 -","4","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.0428","0.0364","","","0.0971","0.1015","","","","","","0.99","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015229","7.4041","0.0014","17.859","0.004","8.4491","0.0014","90","","105.848","0.019","90","","1074.8","0.4","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cycloheptanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.6]undecane-2,4-dithione","","- C9 H14 N2 S2 -","- C9 H14 N2 S2 -","- C36 H56 N8 S8 -","4","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.048","0.0337","","","0.0842","0.0914","","","","","","1.002","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015230","8.484","0.002","11.5018","0.0018","23.992","0.01","90","","90","","90","","2341.2","1.2","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclooctanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.7]dodecane-2,4-dithione","","- C10 H16 N2 S2 -","- C10 H16 N2 S2 -","- C80 H128 N16 S16 -","8","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.1007","0.0571","","","0.1463","0.1743","","","","","","1.016","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015231","6.202","0.001","9.192","0.002","19.294","0.004","90","","90","","90","","1099.9","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Bis(glycine) lithium chromate monohydrate","poly[aquadi-μ-glycinato-μ-tetraoxo-chromato(VI)lithium(I)]}","","- C4 H12 Cr Li2 N2 O9 -","- C4 H12 Cr Li2 N2 O9 -","- C16 H48 Cr4 Li8 N8 O36 -","4","1","EM1005","Michel Fleck; Karolina Schwendtner; Ana Hensler","Two new non-centrosymmetric lithium salts of glycine: bis(glycine) lithium chromate monohydrate and bis(glycine) lithium molybdate","Acta Crystallographica Section C","2006","62","4","m122","m125","10.1107/S0108270106003477","","","0.71073","MoKα","","0.0232","0.022","","","0.0602","0.061","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015232","5.1924","0.001","7.7339","0.0015","12.492","0.003","90","","94.28","0.03","90","","500.25","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(glycine) lithium molybdate","poly[aquadi-μ-glycinato-μ-tetraoxo-chromato(VI)lithium(I)]}","","- C4 H10 Li2 Mo N2 O8 -","- C4 H10 Li2 Mo N2 O8 -","- C8 H20 Li4 Mo2 N4 O16 -","2","1","EM1005","Michel Fleck; Karolina Schwendtner; Ana Hensler","Two new non-centrosymmetric lithium salts of glycine: bis(glycine) lithium chromate monohydrate and bis(glycine) lithium molybdate","Acta Crystallographica Section C","2006","62","4","m122","m125","10.1107/S0108270106003477","","","0.71073","MoKα","","0.0159","0.0157","","","0.0402","0.0404","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015233","9.595","0.002","8.267","0.002","26.35","0.005","90","","90","","90","","2090.1","0.8","295","2","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","[3,4-b][3',4'-l]-dithieno-1,4,11,14-tetraoxacycloeicosane","1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa- 9,12,21,24-tetraene","","- C20 H28 O4 S2 -","- C20 H28 O4 S2 -","- C80 H112 O16 S8 -","4","0.5","FA1181","Wagner, Paweł; Łapkowski, Mieczysław; Kubicki, Maciej","1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa-9,12,21,24-tetraene","Acta Crystallographica Section C","2006","62","4","o155","o156","10.1107/S0108270106004999","","","0.71073","MoKα","","0.1014","0.0355","","","0.0897","0.1045","","","","","","0.979","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015234","13.0444","0.0005","13.0444","0.0005","17.8599","0.0009","90","","90","","90","","3039","0.2","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","catena-poly[tetraethylammonium [tetracyanoiron(III)-μ-cyano-[bis(ethylenediamine)cadmium(II)]-μ-cyano] tetrahydrate]","","- C18 H44 Cd Fe N11 O4 -","- C18 H44 Cd Fe N11 O4 -","- C72 H176 Cd4 Fe4 N44 O16 -","4","0.5","FA3001","Miroslava Maĺarová; Juraj Černák; Werner Massa","One-dimensional structure of <i>catena</i>-poly[tetraethylammonium [tetracyanoiron(III)-μ-cyano-[bis(ethylenediamine)cadmium(II)]-μ-cyano] tetrahydrate]","Acta Crystallographica Section C","2006","62","4","m119","m121","10.1107/S0108270106003453","","","0.71073","MoKα","","0.0239","0.023","","","0.0626","0.0631","","","","","","1.034","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015235","10.8858","0.0003","9.953","0.0002","13.3275","0.0003","90","","95.0178","0.0015","90","","1438.45","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[[diaquadioxouranium(VI)]-μ~3~-nitriliotriacetato-κ^3^O:O':O''] trihydrate]","","- C6 H17 N O13 U -","- C6 H16 N O13 U -","- C24 H64 N4 O52 U4 -","4","1","FA3002","Grigoriev, Mikhail S.; Den Auwer, Christophe; Meyer, Daniel; Moisy, Philippe","Poly[[[diaquadioxouranium(VI)]-μ~3~-nitriliotriacetato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''] trihydrate]","Acta Crystallographica Section C","2006","62","4","m163","m165","10.1107/S0108270106006949","","","0.71073","MoKα","","0.0463","0.029","","","0.0563","0.0613","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015236","3.7747","0.0002","10.8587","0.0005","11.9519","0.0006","99.626","0.003","97.726","0.003","95.515","0.003","475.07","0.04","215","2","215","2","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridinium 2,5-dicarboxybenzene-1,4-dicarboxylate 1.8-hydrate","","- C20 H17.6 N2 O9.8 -","- C20 H17.596 N2 O9.798 -","- C20 H17.596 N2 O9.798 -","1","0.5","FG1884","Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Lo, Samuel M.-F.; Mak, Toby; Chui, Stephen S.-Y.; Cai, Jiwen; Cha, John A.; Williams, Ian D.","Neutron diffraction studies of the 1:1 and 2:1 cocrystals of benzene-1,2,4,5-tetracarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2006","62","4","o157","o161","10.1107/S0108270106004008","","neutron","1.302","neutron","","0.046","0.0362","","","0.0763","0.0805","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015237","12.009","0.001","15.484","0.001","15.221","0.001","90","","112.273","0.003","90","","2619.1","0.3","20","2","20","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4,4'-bipyridinium bis(2,4,5-tricarboxylbenzoate)","","- C30 H20 N2 O16 -","- C30 H20 N2 O16 -","- C120 H80 N8 O64 -","4","1","FG1884","Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Lo, Samuel M.-F.; Mak, Toby; Chui, Stephen S.-Y.; Cai, Jiwen; Cha, John A.; Williams, Ian D.","Neutron diffraction studies of the 1:1 and 2:1 cocrystals of benzene-1,2,4,5-tetracarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2006","62","4","o157","o161","10.1107/S0108270106004008","","neutron","1.3108","neutron","","0.0221","0.0217","","","0.0478","0.048","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015238","9.4503","0.0006","16.8493","0.001","16.8539","0.001","90","","95.815","0.002","90","","2669.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ-oxalato-κ^2^O^1^,O^2^:κ^2^O^1'^,O^2'^-bis[(η^6^-p- cymene)(triphenylphosphine-κP)ruthenium(II)] bis(tetrafluoroborate)","","- C58 H58 B2 F8 O4 P2 Ru2 -","- C58 H58 B2 F8 O4 P2 Ru2 -","- C116 H116 B4 F16 O8 P4 Ru4 -","2","0.5","FG1886","Dale, Sophie H.; Elsegood, Mark R. J.","Oxalate complexes of the (η^6^-<i>p</i>-cymene)ruthenium(II) fragment: μ-oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^-bis[(η^6^-<i>p</i>-cymene)(triphenylphosphine-κ<i>P</i>)ruthenium(II)] bis(tetrafluoroborate) and (η^6^-<i>p</i>-cymene)(oxalato-κ^2^<i>O</i>,<i>O</i>')(pyridine-3,5-dicarboxylic acid-κ<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","2006","62","4","m166","m170","10.1107/S0108270106007487","","","0.71073","MoKα","","0.065","0.0356","","","0.0684","0.0818","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015239","7.8754","0.0005","9.0005","0.0006","13.6905","0.0009","98.647","0.002","106.062","0.002","90.165","0.002","920.92","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(η^6^-p-cymene)(oxalato-κ^2^O,O')(pyridine-3,5-dicarboxylic acid-κN)ruthenium(II)","","- C19 H19 N O8 Ru -","- C19 H19 N O8 Ru -","- C38 H38 N2 O16 Ru2 -","2","1","FG1886","Dale, Sophie H.; Elsegood, Mark R. J.","Oxalate complexes of the (η^6^-<i>p</i>-cymene)ruthenium(II) fragment: μ-oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^-bis[(η^6^-<i>p</i>-cymene)(triphenylphosphine-κ<i>P</i>)ruthenium(II)] bis(tetrafluoroborate) and (η^6^-<i>p</i>-cymene)(oxalato-κ^2^<i>O</i>,<i>O</i>')(pyridine-3,5-dicarboxylic acid-κ<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","2006","62","4","m166","m170","10.1107/S0108270106007487","","","0.71073","MoKα","","0.0333","0.0262","","","0.0576","0.061","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015240","7.032","0.001","10.419","0.002","17.017","0.003","90","","90","","90","","1246.8","0.4","288","1","288","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,2'-isopropylidenediphenol","2,2'-Isopropylidenediphenol","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","GA1119","Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr","2,2'-Isopropylidenediphenol","Acta Crystallographica Section C","2006","62","4","o162","o164","10.1107/S0108270106004070","","","1.5418","CuKα","","0.0342","0.0252","","","0.067","0.0714","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015241","8.022","0.003","13.193","0.004","14.893","0.004","69.06","0.03","81.29","0.02","80.6","0.03","1444.9","0.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","4-[N-(2-Chloro-6-methylphenyl)ureido]pyridinium chloride","","- C13 H13 Cl2 N3 O -","- C13 H13 Cl2 N3 O -","- C52 H52 Cl8 N12 O4 -","4","2","GD1429","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","<i>N</i>-Phenyl-<i>N</i>'-pyridylureas: stereochemical basis for anticonvulsant activity","Acta Crystallographica Section C","2006","62","4","o190","o192","10.1107/S0108270106005543","","","1.54178","CuKα","","0.0601","0.0428","","","0.1229","0.1344","","","","","","0.941","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015242","7.788","0.002","16.596","0.003","27.986","0.003","90","","90","","90","","3617.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-phthaloyl-β-alaninate N-phthaloyl-β-alanine","","- C43 H40 N4 O10 -","- C43 H40 N4 O10 -","- C172 H160 N16 O40 -","4","1","GD1431","Agata Białońska; Zbigniew Ciunik","Strychninium <i>N</i>-phthaloyl-β-alaninate <i>N</i>-phthaloyl-β-alanine and brucinium <i>N</i>-phthaloyl-β-alaninate 5.67-hydrate","Acta Crystallographica Section C","2006","62","4","o182","o185","10.1107/S0108270106005555","","","0.71073","MoKα","","0.0715","0.0514","","","0.0927","0.1001","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015243","11.527","0.002","7.669","0.0013","19.5","0.003","90","","94.832","0.014","90","","1717.7","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-phthaloyl-β-alaninate 5.67-hydrate","","- C34 H46.34 N3 O13.67 -","- C34 H46.34 N3 O13.67 -","- C68 H92.68 N6 O27.34 -","2","1","GD1431","Agata Białońska; Zbigniew Ciunik","Strychninium <i>N</i>-phthaloyl-β-alaninate <i>N</i>-phthaloyl-β-alanine and brucinium <i>N</i>-phthaloyl-β-alaninate 5.67-hydrate","Acta Crystallographica Section C","2006","62","4","o182","o185","10.1107/S0108270106005555","","","0.71073","MoKα","","0.1504","0.0776","","","0.0935","0.1143","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015244","32.6249","0.0008","7.0657","0.0002","23.516","0.0008","90","","100.292","0.0009","90","","5333.6","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tetrakis(4-methoxycarbonylphenyl)porphyrin","Tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20-tetrabenzoate","","- C63.42 H47.52 N5.9 O11.81 -","- C63.424 H47.52 N5.904 O11.808 -","- C253.696 H190.08 N23.616 O47.232 -","4","0.5","GD3004","Sankar Muniappan; Sophia Liptsman; Israel Goldberg","Clathrate solvates of tetrakis(4-methoxycarbonylphenyl)porphyrin and its zinc(II)‒pyridine complex, in which the porphyrin host structures are stabilized by porphyrin‒porphyrin stacking and C—H···O attractions","Acta Crystallographica Section C","2006","62","4","m140","m143","10.1107/S010827010600641X","","","0.71073","MoKα","","0.1084","0.0569","","","0.1329","0.1581","","","","","","1.016","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015245","17.4965","0.0004","18.2617","0.0002","19.0558","0.0004","90","","90","","90","","6088.6","0.2","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","pyridine(tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20- tetrabenzoato)zinc(II)","","- C57 H41 N5 O8 Zn -","- C57 H41 N5 O8 Zn -","- C228 H164 N20 O32 Zn4 -","4","1","GD3004","Sankar Muniappan; Sophia Liptsman; Israel Goldberg","Clathrate solvates of tetrakis(4-methoxycarbonylphenyl)porphyrin and its zinc(II)‒pyridine complex, in which the porphyrin host structures are stabilized by porphyrin‒porphyrin stacking and C—H···O attractions","Acta Crystallographica Section C","2006","62","4","m140","m143","10.1107/S010827010600641X","","","0.71073","MoKα","","0.0946","0.0525","","","0.1185","0.1307","","","","","","0.902","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015246","8.8634","0.0004","12.639","0.0006","12.8768","0.0006","89.182","0.001","89.913","0.001","86.941","0.001","1440.31","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[piperazinium(2+) [hexa-μ-hydrogen phosphito-μ-piperazine-pentazinc(II)]]","","- C8 H28 N4 O18 P6 Zn5 -","- C8 H28 N4 O18 P6 Zn5 -","- C16 H56 N8 O36 P12 Zn10 -","2","1","GD3006","Harrison, William T. A.","Poly[piperazinium(2+) [hexa-μ-hydrogen phosphito-μ-piperazine-pentazinc(II)]]","Acta Crystallographica Section C","2006","62","4","m156","m158","10.1107/S0108270106007657","","","0.71073","MoKα","","0.0812","0.0404","","","0.0687","0.0766","","","","","","0.902","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015247","15.2414","0.0002","22.643","0.0009","8.3783","0.0005","90","","90","","90","","2891.4","0.2","120","2","120","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride","","- C13 H10 Cl2 N4 O4 -","- C13 H10 Cl2 N4 O4 -","- C104 H80 Cl16 N32 O32 -","8","","GG3003","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded framework structures in 4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride and <i>N</i>-3,5-dinitrobenzoyl-<i>N</i>'-isonicotinoylhydrazine","Acta Crystallographica Section C","2006","62","4","o222","o226","10.1107/S0108270106006512","","","0.71073","MoKα","","0.0331","0.0299","","","0.0718","0.0741","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015248","7.4534","0.0002","22.1762","0.0006","8.1006","0.0002","90","","96.489","0.0016","90","","1330.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-3,5-dinitrobenzoyl-N'-isonicotinoylhydrazine","","- C13 H9 N5 O6 -","- C13 H9 N5 O6 -","- C52 H36 N20 O24 -","4","1","GG3003","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded framework structures in 4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride and <i>N</i>-3,5-dinitrobenzoyl-<i>N</i>'-isonicotinoylhydrazine","Acta Crystallographica Section C","2006","62","4","o222","o226","10.1107/S0108270106006512","","","0.71073","MoKα","","0.0411","0.0369","","","0.0955","0.0987","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015249","7.555","0.002","11.531","0.003","26.492","0.008","90","","90","","90","","2307.9","1.1","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucine tetrahydrate","2,3-dimethoxystrychnidin-10-one‒water (1/4)","","- C23 H34 N2 O8 -","- C23 H34 N2 O8 -","- C92 H136 N8 O32 -","4","1","GZ1028","Graham Smith; Urs D. Wermuth; Peter C. Healy; Jonathan M. White","Two pseudopolymorphic hydrates of brucine: brucine‒water (1/4) and brucine‒water (1/5.25) at 130 K","Acta Crystallographica Section C","2006","62","4","o203","o207","10.1107/S0108270106005944","","","0.71073","MoKα","","0.0592","0.0429","","","0.0792","0.0838","","","","","","0.892","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015250","23.351","0.005","12.2","0.003","16.972","0.004","90","","96.202","0.004","90","","4806.7","1.9","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","brucine 5.25-hydrate","2,3-dimethoxystrychnidin-10-one‒water (1/5.25)","","- C23 H36.5 N2 O9.25 -","- C23 H36.5 N2 O9.25 -","- C184 H292 N16 O74 -","8","2","GZ1028","Graham Smith; Urs D. Wermuth; Peter C. Healy; Jonathan M. White","Two pseudopolymorphic hydrates of brucine: brucine‒water (1/4) and brucine‒water (1/5.25) at 130 K","Acta Crystallographica Section C","2006","62","4","o203","o207","10.1107/S0108270106005944","","","0.71073","MoKα","","0.0753","0.0655","","","0.1659","0.1729","","","","","","1.009","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015251","8.0818","0.0016","11.129","0.002","11.626","0.002","67.56","0.03","74.48","0.03","69.55","0.03","894.6","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","diaqua(pyridine-2-carboxylato)(pyridine-2,6-dicarboxylato)indium(II) trihydrate, [In(C~6~H~4~NO~2~)(C~7~H~3~NO~4~)(H~2~O)~2~].3H~2~O","","- C13 H17 In N2 O11 -","- C13 H17 In N2 O11 -","- C26 H34 In2 N4 O22 -","2","1","GZ3002","Chun-Bo Liu; Guang-Bo Che; Chuan-Bi Li; Yun-Cheng Cui","An indium(III)‒water chain based on an unusual acyclic water pentamer","Acta Crystallographica Section C","2006","62","4","m153","m155","10.1107/S0108270106007189","","","0.71073","MoKα","","0.0347","0.0276","","","0.0549","0.0566","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015252","12.875","0.003","6.153","0.002","18.268","0.004","90","","106.031","0.016","90","","1390.9","0.6","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","Cinnamolide-3β-ol hemihydrate","3β-Hydroxy-7-drimen-12,11-olide hemihydrate","","- C30 H46 O7 -","- C15 H23 O3.5 -","- C60 H92 O14 -","4","2","GZ3003","Zhang, Yi-Xun; Jackson, Shauntina H.; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.","Cinnamolid-3β-ol hemihydrate and 3β-hydroxycinnamolide acetate, two drimanolide-class sesquiterpene lactones from <i>Warburgia ugandensis</i>","Acta Crystallographica Section C","2006","62","4","o219","o221","10.1107/S0108270106007177","","","0.71073","MoKα","","0.083","0.049","","","0.1","0.112","","","","","","1.035","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015253","6.802","0.003","7.918","0.004","14.302","0.008","90","","101.22","0.02","90","","755.6","0.7","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","cinnamolide-3β-ol-acetate","3β-Acetoxy-7-drimen-12,11-olide","","- C17 H24 O4 -","- C17 H24 O4 -","- C34 H48 O8 -","2","1","GZ3003","Zhang, Yi-Xun; Jackson, Shauntina H.; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.","Cinnamolid-3β-ol hemihydrate and 3β-hydroxycinnamolide acetate, two drimanolide-class sesquiterpene lactones from <i>Warburgia ugandensis</i>","Acta Crystallographica Section C","2006","62","4","o219","o221","10.1107/S0108270106007177","","","0.71073","MoKα","","0.109","0.051","","","0.09","0.108","","","","","","0.982","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015254","13.874","0.002","7.531","0.001","13.615","0.002","90","","122.94","0.02","90","","1193.9","0.4","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[tetraaquadi-μ~3~-malonato-cobalt(II)calcium(II)]","","- C6 H12 Ca Co O12 -","- C6 H12 Ca Co O12 -","- C24 H48 Ca4 Co4 O48 -","4","0.5","HJ1082","Djeghri Assia; Balegroune, Fadila; Guehria Laidoudi, Achoura; Toupet, Loic","Poly[tetraaquadi-μ~3~-malonato-cobalt(II)calcium(II)]","Acta Crystallographica Section C","2006","62","4","m126","m128","10.1107/S0108270106003866","","","0.71073","MoKα","","0.0244","0.0195","","","0.0486","0.05","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015255","16.3722","0.0011","10.4506","0.0005","11.3239","0.0007","90","","99.18","0.005","90","","1912.7","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy- 4-(3-methoxyphenyldiazenyl)cyclohexa-2,4-dienone","","- C19 H23 N3 O6 -","- C19 H23 N3 O6 -","- C76 H92 N12 O24 -","4","1","HJ1088","Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-4-(2,6-Dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone and the 3-methoxyphenyldiazenyl and 4-methoxyphenyldiazenyl analogues","Acta Crystallographica Section C","2006","62","4","o173","o177","10.1107/S0108270106005026","","","0.71073","MoKα","","0.068","0.053","","","0.1506","0.1597","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015256","16.9333","0.0009","10.7124","0.0006","10.5476","0.0006","90","","98.966","0.004","90","","1889.92","0.18","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy- 4-(4-methoxyphenyldiazenyl)cyclohexa-2,4-dienone","","- C19 H23 N3 O6 -","- C19 H23 N3 O6 -","- C76 H92 N12 O24 -","4","1","HJ1088","Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-4-(2,6-Dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone and the 3-methoxyphenyldiazenyl and 4-methoxyphenyldiazenyl analogues","Acta Crystallographica Section C","2006","62","4","o173","o177","10.1107/S0108270106005026","","","0.71073","MoKα","","0.0823","0.0495","","","0.1198","0.1347","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015257","16.8445","0.0015","10.7259","0.0005","11.1126","0.0009","90","","106.037","0.007","90","","1929.6","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-4-(2,6-dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan- 2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone","","- C18 H19 Cl2 N3 O5 -","- C18 H19 Cl2 N3 O5 -","- C72 H76 Cl8 N12 O20 -","4","1","HJ1088","Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-4-(2,6-Dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone and the 3-methoxyphenyldiazenyl and 4-methoxyphenyldiazenyl analogues","Acta Crystallographica Section C","2006","62","4","o173","o177","10.1107/S0108270106005026","","","0.71073","MoKα","","0.0692","0.046","","","0.1197","0.1322","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015258","11.5299","0.0008","8.0975","0.0004","10.8937","0.0008","90","","101.111","0.003","90","","998.01","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Di-tert-butyl ketone hydrazone","","- C9 H20 N2 -","- C9 H20 N2 -","- C36 H80 N8 -","4","1","HJ3003","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","Di-<i>tert</i>-butyl ketone hydrazone and di-<i>tert</i>-butyl ketone triphenylphosphoranylidenehydrazone","Acta Crystallographica Section C","2006","62","4","o234","o236","10.1107/S0108270106008687","","","0.71073","MoKα","","0.0427","0.0389","","","0.1021","0.1049","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015259","29.1768","0.0016","11.6848","0.0007","14.3768","0.0006","90","","103.243","0.003","90","","4771.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","di-tert-butyl ketone triphenylphosphoranylidenehydrazone","","- C27 H33 N2 P -","- C27 H33 N2 P -","- C216 H264 N16 P8 -","8","2","HJ3003","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","Di-<i>tert</i>-butyl ketone hydrazone and di-<i>tert</i>-butyl ketone triphenylphosphoranylidenehydrazone","Acta Crystallographica Section C","2006","62","4","o234","o236","10.1107/S0108270106008687","","","0.71073","MoKα","","0.0662","0.0442","","","0.1075","0.1181","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015260","5.7355","0.0006","9.8374","0.0013","10.9428","0.0013","90","","97.856","0.009","90","","611.62","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Amino-7-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-fluoro- 7H-pyrrolo[2,3-d]pyrimidine","","- C11 H12 F2 N4 O3 -","- C11 H12 F2 N4 O3 -","- C22 H24 F4 N8 O6 -","2","1","JZ3003","Seela, Frank; Chittepu, Padmaja; Eickmeier, Henning","4-Amino-7-(2-deoxy-2-fluoro-β-<small>D</small>-arabinofuranosyl)-5-fluoro-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine: a bis-fluorinated analogue of 2'-deoxytubercidin","Acta Crystallographica Section C","2006","62","4","o231","o233","10.1107/S0108270106007633","","","0.71073","MoKα","","0.0458","0.0385","","","0.0969","0.1015","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015261","10.563","0.003","23.839","0.006","7.025","0.002","90","","93.46","0.02","90","","1765.8","0.8","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-1,2-Diethynylcyclohexane-1,2-diol","","- C10 H12 O2 -","- C10 H12 O2 -","- C80 H96 O16 -","8","2","LN3003","Hamann, Uwe; Kämpen, Jan; Bubenitschek, Peter; Hopf, Henning; Jones, Peter G.","C[tripleC—H systems as hydrogen-bond donors and acceptors: <i>trans</i>-1,2-diethynylcyclohexane-1,2-diol and <i>trans</i>-1,4-diprop-2-ynylcyclohexane-1,4-diol monohydrate","Acta Crystallographica Section C","2006","62","4","o178","o181","10.1107/S0108270106005063","","","0.71073","MoKα","","0.0682","0.0446","","","0.0896","0.103","","","","","","1.083","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015262","6.6112","0.0018","7.2474","0.0019","12.577","0.003","93.384","0.016","102.41","0.016","102.309","0.016","571.5","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","trans-1,4-diprop-2-ynylcyclohexane-1,4-diol hydrate","","- C12 H18 O3 -","- C12 H18 O3 -","- C24 H36 O6 -","2","1","LN3003","Hamann, Uwe; Kämpen, Jan; Bubenitschek, Peter; Hopf, Henning; Jones, Peter G.","C[tripleC—H systems as hydrogen-bond donors and acceptors: <i>trans</i>-1,2-diethynylcyclohexane-1,2-diol and <i>trans</i>-1,4-diprop-2-ynylcyclohexane-1,4-diol monohydrate","Acta Crystallographica Section C","2006","62","4","o178","o181","10.1107/S0108270106005063","","","0.71073","MoKα","","0.0373","0.034","","","0.0819","0.0844","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015263","13.377","0.002","6.0824","0.0008","23.834","0.003","90","","94.235","0.002","90","","1933.9","0.5","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","(-)-(5S,8S,9R,10S,13R,14R)-15-Acetoxy-15,16-dideoxy-16,17-epoxyspongian-16-one","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","LN3004","Blake, Alexander J.; González, Miguel A.; Gil-Gimeno, Maria J.","(‒)-(5<i>S</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>,13<i>R</i>,14<i>R</i>)-15,16-Dideoxy-16,17-epoxy-16-oxospongian-15-yl acetate","Acta Crystallographica Section C","2006","62","4","o208","o210","10.1107/S0108270106006366","","","0.71073","MoKα","","0.0516","0.0487","","","0.13","0.133","","","","","","0.92","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015264","8.36","0.01","7.292","0.008","12.95","0.005","90","","90","","90","","789.4","1.3","296","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Dichloro(propane-1,3-diamine-κ^2^N,N')platinum(II)","","- C3 H10 Cl2 N2 Pt -","- C3 H10 Cl2 N2 Pt -","- C12 H40 Cl8 N8 Pt4 -","4","0.5","OB1247","Odoko, Mamiko; Okabe, Nobuo","Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)]","Acta Crystallographica Section C","2006","62","4","m136","m139","10.1107/S010827010600610X","","","0.7107","MoKα","","","0.016","","","","0.042","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015265","8.386","0.007","7.167","0.005","12.88","0.01","90","","90","","90","","774.1","1","296","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","dichloro(propane-1,3-diamine-κ^2^N,N')palladium(II)","","- C3 H10 Cl2 N2 Pd -","- C3 H10 Cl2 N2 Pd -","- C12 H40 Cl8 N8 Pd4 -","4","0.5","OB1247","Odoko, Mamiko; Okabe, Nobuo","Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)]","Acta Crystallographica Section C","2006","62","4","m136","m139","10.1107/S010827010600610X","","","0.7107","MoKα","","","0.017","","","","0.043","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015266","8.86","0.01","8.018","0.006","12.93","0.01","90","","92.09","0.04","90","","917.9","1.4","123","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-4,9-diazadodecane-1,12-diamine-κ^2^N^1^,N^4^;κ^2^N^9^,N^12^- bis[dichlorodiplatinum(II)]","","- C10 H26 Cl4 N4 Pt2 -","- C10 H26 Cl4 N4 Pt2 -","- C20 H52 Cl8 N8 Pt4 -","2","0.5","OB1247","Odoko, Mamiko; Okabe, Nobuo","Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)]","Acta Crystallographica Section C","2006","62","4","m136","m139","10.1107/S010827010600610X","","","0.7107","MoKα","","","0.029","","","","0.076","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015267","8.895","0.001","9.828","0.001","16.331","0.002","79.66","0.01","85.9","0.01","67.38","0.01","1296.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","Bis(2,2'-bipyridine)iodo(oxo)tri-μ~3~-sulfido-tricopper(I)tungsten(VI)","","- C20 H16 Cu3 I N4 O S3 W -","- C20 H16 Cu3 I N4 O S3 W -","- C40 H32 Cu6 I2 N8 O2 S6 W2 -","2","1","OB1248","Li, Wen-Ge; Zhang, You-Cai; Wang, Zuo-Wei; Li, Yi-Zhi; Zheng, He-Gen","Bis(2,2'-bipyridine)iodo(oxo)tri-μ~3~-sulfido-tricopper(I)tungsten(VI)","Acta Crystallographica Section C","2006","62","4","m159","m160","10.1107/S0108270106007438","","","0.71073","MoKα","","0.0413","0.0332","","","0.0766","0.0789","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015268","7.3655","0.0002","9.6851","0.0002","14.472","0.0001","93.375","0.001","99.476","0.001","102.288","0.001","990.22","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","anti-2-Hydroxy-2-methyl-1-tetralone oxime","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","2","SF1027","Vratislav Langer; Dalma Gyepesová; Pavel Mach; Eva Scholtzová; Marta Sališová; Andrej Boháč; Boris Gášpár","<i>anti</i>-2-Hydroxy-2-methyl-1-tetralone oxime: X-ray and density functional theory study","Acta Crystallographica Section C","2006","62","4","o199","o202","10.1107/S0108270106005178","","","0.71073","MoKα","","0.1064","0.0512","","","0.0993","0.1211","","","","","","0.993","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015269","7.9116","0.0007","10.487","0.001","18.2493","0.0017","86.088","0.002","79.784","0.002","70.605","0.002","1405.5","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","strontium ibuprofenate hydrate","poly[diaquabis[μ-2-(4-isobutylphenyl)propionato]strontium(II)]","","- C26 H38 O6 Sr -","- C26 H38 O6 Sr -","- C52 H76 O12 Sr2 -","2","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.1116","0.0581","","","0.1253","0.145","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015270","14.3345","0.0009","7.3458","0.0005","11.5075","0.0007","90","","106.71","0.001","90","","1160.55","0.13","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium malonate sesquihydrate","Poly[μ-aqua-diaquadi-μ-malonato-distrontium(II)]","","- C3 H5 O5.5 Sr -","- C3 H5 O5.5 Sr -","- C24 H40 O44 Sr8 -","8","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.0169","0.0158","","","0.0406","0.0413","","","","","","1.076","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2015271","6.4358","0.0005","16.104","0.0013","8.3646","0.0007","90","","107.696","0.001","90","","825.9","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Strontium diascorbate dihydrate","catena-Poly[[diaqua(ascorbato)strontium(II)]-μ-ascorbato]","","- C12 H18 O14 Sr -","- C12 H18 O14 Sr -","- C24 H36 O28 Sr2 -","2","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.0276","0.0253","","","0.0565","0.0573","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015272","5.0993","0.0004","22.808","0.002","6.9811","0.0006","90","","109.755","0.002","90","","764.15","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Strontium 2-oxidobenzoate hydrate","Poly[aqua-μ-2-oxidobenzoato-strontium(II)]","","- C7 H6 O4 Sr -","- C7 H6 O4 Sr -","- C28 H24 O16 Sr4 -","4","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.0475","0.0376","","","0.0878","0.092","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015273","8.0954","0.0002","11.7686","0.0006","11.0026","0.0006","90","","90","","90","","1048.23","0.08","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,2'-bipyridinium thiocyanate","","- C11 H9 N3 S -","- C11 H9 N3 S -","- C44 H36 N12 S4 -","4","1","SK1900","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher","Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate","Acta Crystallographica Section C","2006","62","4","o165","o169","10.1107/S0108270106005002","","","0.71073","MoKα","","0.0348","0.0307","","","0.0753","0.0774","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015274","7.4139","0.0005","9.3768","0.0006","12.3694","0.0005","71.681","0.003","75.722","0.003","77.391","0.003","781.79","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,2'-bipyridinium picrate","","- C16 H11 N5 O7 -","- C16 H11 N5 O7 -","- C32 H22 N10 O14 -","2","1","SK1900","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher","Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate","Acta Crystallographica Section C","2006","62","4","o165","o169","10.1107/S0108270106005002","","","0.71073","MoKα","","0.1044","0.0604","","","0.1063","0.1222","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015275","12.8274","0.0004","4.4774","0.0002","18.2844","0.0005","90","","100.568","0.002","90","","1032.32","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-bipyridinium hydrogensulfate","","- C10 H10 N2 O4 S -","- C10 H10 N2 O4 S -","- C40 H40 N8 O16 S4 -","4","1","SK1900","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher","Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate","Acta Crystallographica Section C","2006","62","4","o165","o169","10.1107/S0108270106005002","","","0.71073","MoKα","","0.0524","0.0436","","","0.1186","0.1219","","","","","","1.262","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015276","11.8324","0.0008","7.3549","0.0005","16.6078","0.0012","90","","102.07","0.001","90","","1413.36","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[[aquacopper(II)]-μ-adamantane-1,3-diacetato]","","- C14 H20 Cu O5 -","- C14 H20 Cu O5 -","- C56 H80 Cu4 O20 -","4","1","SK3003","Xu, Denise J.; Pan, Long; Emge, Thomas J.; Huang, Xiaoying; Li, Jing","Poly[[aquacopper(II)]-μ-adamantane-1,3-diacetato]","Acta Crystallographica Section C","2006","62","4","m150","m152","10.1107/S0108270106006846","","","0.71073","MoKα","","0.023","0.0214","","","0.0578","0.0588","","","","","","1.003","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015277","7.4435","0.0003","7.8829","0.0005","16.2657","0.001","99.564","0.002","96.806","0.003","90.842","0.003","933.94","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis(2-chloronicotinoyl)-N-(3-nitrophenyl)hydrazine monohydrate","","- C18 H13 Cl2 N5 O5 -","- C18 H13 Cl2 N5 O5 -","- C36 H26 Cl4 N10 O10 -","2","1","SK3004","Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","<i>N</i>,<i>N</i>'-Bis(2-chloronicotinoyl)-<i>N</i>-(3-nitrophenyl)hydrazine monohydrate: complex sheets built from O—H···N, N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","4","o170","o172","10.1107/S0108270106004653","","","0.71073","MoKα","","0.0829","0.05","","","0.1069","0.12","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015278","16.0851","0.0005","7.9458","0.0003","8.0003","0.0003","90","","117.309","0.002","90","","908.55","0.06","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","7-Amino-2,5-dimethylpyrazolo[1,5-a]pyrimidine hemihydrate","","- C8 H11 N4 O0.5 -","- C8 H11 N4 O0.5 -","- C32 H44 N16 O2 -","4","1","SK3006","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","7-Amino-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidine hemihydrate redetermined at 120K: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2006","62","4","o186","o189","10.1107/S0108270106005373","","","0.71073","MoKα","","0.0372","0.0335","","","0.0873","0.0897","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015279","11.667","0.0003","13.7746","0.0004","11.8897","0.0004","90","","105.433","0.0019","90","","1841.88","0.1","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(RR,SS)/(RS,SR)-methyl 4-(2,4-chlorophenyl)-2,7-dimethyl- 5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C19 H19 Cl2 N O3 -","- C19 H19 Cl2 N O3 -","- C76 H76 Cl8 N4 O12 -","4","1","SK3008","Linden, Anthony; Gündüz, Miyase G.; Şimşek, Rahime; Şafak, Cihat","Cocrystals of diastereoisomers of 1,4-dihydropyridine derivatives","Acta Crystallographica Section C","2006","62","4","o227","o230","10.1107/S0108270106007530","","","0.71073","MoKα","","0.0706","0.0487","","","0.1229","0.1391","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2015280","9.4543","0.0005","9.7947","0.0006","13.446","0.0009","76.436","0.003","89.268","0.004","69.471","0.003","1130.23","0.12","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","(RR,SS)/(RS,SR)-methyl 4-(2,4-chlorophenyl)-2-methyl- 7-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate monohydrate","","- C24 H23 Cl2 N O4 -","- C24 H22.758 Cl2 N O4 -","- C48 H45.516 Cl4 N2 O8 -","2","1","SK3008","Linden, Anthony; Gündüz, Miyase G.; Şimşek, Rahime; Şafak, Cihat","Cocrystals of diastereoisomers of 1,4-dihydropyridine derivatives","Acta Crystallographica Section C","2006","62","4","o227","o230","10.1107/S0108270106007530","","","0.71073","MoKα","","0.0754","0.0533","","","0.1358","0.1498","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2015281","8.9352","0.0009","6.105","0.0006","14.678","0.002","90","","96.37","0.01","90","","795.73","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-Dimethylisoguanine","6-amino-1,3-dimethyl-1H-purin-2(3H)-one","","- C7 H9 N5 O -","- C7 H9 N5 O -","- C28 H36 N20 O4 -","4","1","SQ1243","Kanda Panthong; Mary J. Garson; Paul V. Bernhardt","1,3-Dimethylisoguanine","Acta Crystallographica Section C","2006","62","4","o193","o195","10.1107/S0108270106005336","","","0.71073","MoKα","","0.1217","0.0542","","","0.136","0.1662","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015282","10.7601","0.0002","11.9724","0.0002","8.9122","0.0001","90","","109.358","0.0011","90","","1083.2","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-Hydroxy-2-pyridylmethyl)dimethylammonium dihydrogenphosphate","","- C8 H15 N2 O5 P -","- C8 H15 N2 O5 P -","- C32 H60 N8 O20 P4 -","4","1","SQ3006","Demir, Selcuk; Yilmaz, Veysel T.; Harrison, William T. A.","(3-Hydroxy-2-pyridylmethyl)dimethylammonium dihydrogenphosphate","Acta Crystallographica Section C","2006","62","4","o216","o218","10.1107/S0108270106005853","","","0.71073","MoKα","","0.0303","0.0271","","","0.0681","0.0702","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015283","7.369","0.0016","8.4128","0.0018","10.716","0.002","76.124","0.004","88.754","0.004","70.758","0.004","607.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-bis[(2-acetylpyridine thiosemicarbazonato)zinc(II)]","","- C20 H24 N8 O4 S2 Zn2 -","- C20 H24 N8 O4 S2 Zn2 -","- C20 H24 N8 O4 S2 Zn2 -","1","0.5","AV1282","Emmanuel Ngwang Nfor; Lui Wei; Jing-Lin Zuo; Xiao-Zeng You; Offiong Efanga Offiong","Di-μ-acetato-bis[(2-acetylpyridine thiosemicarbazonato)zinc(II)]","Acta Crystallographica Section C","2006","62","5","m211","m213","10.1107/S0108270106009152","","","0.71073","MoKα","","0.069","0.0516","","","0.0862","0.091","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015284","40.703","0.006","5.097","0.0008","12.2793","0.0018","90","","103.498","0.003","90","","2477.1","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-Diaquabis[(E)-4-(2-hydroxybenzylideneamino)benzoato-κ^2^O,O']cadmium(II)","","- C28 H24 Cd N2 O8 -","- C28 H24 Cd N2 O8 -","- C112 H96 Cd4 N8 O32 -","4","0.5","AV3003","Yao, Shu-Qin; Zhu, Miao-Li; Lu, Li-Ping; Gao, Xiao-Li","<i>cis</i>-Diaquabis[(<i>E</i>)-4-(2-hydroxybenzylideneamino)benzoato-κ^2^<i>O</i>,<i>O</i>']cadmium(II): two-dimensional layers built from strong O—H···O hydrogen bonding in the coordination sphere","Acta Crystallographica Section C","2006","62","5","m183","m185","10.1107/S0108270106009723","","","0.71073","MoKα","","0.0721","0.0561","","","0.1195","0.1374","","","","","","1.14","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015285","9.2591","0.0008","18.5282","0.0013","16.7729","0.0017","90","","104.297","0.007","90","","2788.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","syn-2^2^,4^2^-dihydroxy-1^2^,3^2^-bis(prop-2-enoxy)thiacalix[4]arene","","- C30 H24 O4 S4 -","- C30 H24 O4 S4 -","- C120 H96 O16 S16 -","4","1","AV3005","Kasyan, Oleg; Thondorf, Iris; Bolte, Michael; Kalchenko, Vitaly; Böhmer, Volker","Unusual conformations of 1,3-dialkoxythiacalix[4]arenes in the solid state","Acta Crystallographica Section C","2006","62","5","o289","o294","10.1107/S0108270106011243","","","0.71073","MoKα","","0.0762","0.0479","","","0.1125","0.1241","","","","","","0.995","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015286","8.876","0.0003","17.31","0.0005","26.0798","0.001","90","","90","","90","","4007","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","syn-2^2^,4^2^-dihydroxy-1^5^,2^5^,3^5^,4^5^-tetranitro-1^2^,3^2^- bis(prop-2-enoxy)thiacalix[4]arene acetone disolvate","","- C36 H32 N4 O14 S4 -","- C36 H32 N4 O14 S4 -","- C144 H128 N16 O56 S16 -","4","0.5","AV3005","Kasyan, Oleg; Thondorf, Iris; Bolte, Michael; Kalchenko, Vitaly; Böhmer, Volker","Unusual conformations of 1,3-dialkoxythiacalix[4]arenes in the solid state","Acta Crystallographica Section C","2006","62","5","o289","o294","10.1107/S0108270106011243","","","0.71073","MoKα","","0.0387","0.0339","","","0.0815","0.084","","","","","","1.062","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015287","17.2475","0.0017","20.415","0.0019","9.102","0.001","90","","90","","90","","3204.9","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","syn-2^2^,4^2^-dihydroxy-1^5^,2^5^,3^5^,4^5^-tetranitro-1^2^,3^2^- bis(prop-2-enoxy)thiacalix[4]arene","","- C30 H20 N4 O12 S4 -","- C30 H20 N4 O12 S4 -","- C120 H80 N16 O48 S16 -","4","0.5","AV3005","Kasyan, Oleg; Thondorf, Iris; Bolte, Michael; Kalchenko, Vitaly; Böhmer, Volker","Unusual conformations of 1,3-dialkoxythiacalix[4]arenes in the solid state","Acta Crystallographica Section C","2006","62","5","o289","o294","10.1107/S0108270106011243","","","0.71073","MoKα","","0.1145","0.0926","","","0.2373","0.2565","","","","","","1.104","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015288","4.1561","0.0006","19.069","0.001","6.8369","0.0005","90","","90","","90","","541.84","0.09","295","2","295","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","Pentaerbium trinickel trialuminum tetragermanide","pentaerbium trinickel trialuminium tetragermanium","","- Al3 Er5 Ge4 Ni3 -","- Al3 Er5 Ge4 Ni3 -","- Al6 Er10 Ge8 Ni6 -","2","0.25","BC1097","Demchenko, Pavlo; Kończyk, Joanna; Demchenko, Grigorii; Gladyshevskii, Roman; Pavlyuk, Volodymyr","Er~5~Ni~3~Al~3~Ge~4~: a quaternary variant of the NbCoB type","Acta Crystallographica Section C","2006","62","5","i29","i31","10.1107/S0108270106009255","","","1.54178","CuKα","","0.0492","0.0431","","","0.1079","0.1106","","","","","","1.164","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015289","4.9199","0.0018","9.959","0.004","10.859","0.004","90","","97.513","0.005","90","","527.5","0.3","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycinium oxalate (2:1)","bis(glycinium) oxalate","","- C6 H12 N2 O8 -","- C6 H12 N2 O8 -","- C12 H24 N4 O16 -","2","0.5","BM1626","R. Chitra; Vijay Thiruvenkatam; V. D. Alur; R. R. Choudhury; E. Ramadasen; M. V. Hosur; T. N. Guru Row","Bis(glycinium) oxalate: evidence of strong hydrogen bonding","Acta Crystallographica Section C","2006","62","5","o274","o276","10.1107/S010827010600970X","","","0.71073","MoKα","","0.0388","0.0339","","","0.0868","0.0896","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015290","13.0394","0.0013","44.781","0.003","22.8023","0.0017","90","","100.051","0.008","90","","13110.3","1.9","299","2","296","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(pentafluorobenzenethiolato-κS)(triphenylphosphine-κP)osmium(IV)","","- C42 H15 F20 Os P S4 -","- C42 H15 F20 Os P S4 -","- C504 H180 F240 Os12 P12 S48 -","12","3","BM1627","Mendoza, María del Consuelo; Bernès, Sylvain; Arroyo, Maribel","Tetrakis(pentafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphine-κ<i>P</i>)osmium(IV): a <i>Z</i>' = 3 structure with a supramolecular double-stranded backbone","Acta Crystallographica Section C","2006","62","5","m201","m204","10.1107/S0108270106011413","","","0.71073","MoKα","","0.102","0.0552","","","0.1169","0.1435","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015291","5.7748","0.0008","11.485","0.002","13.086","0.002","113.47","0.01","100.39","0.01","97.29","0.01","763.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-chloroaniline)-1,2-diphenylethanone","","- C20 H16 Cl N O -","- C20 H16 Cl N O -","- C40 H32 Cl2 N2 O2 -","2","1","DN3012","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Soto, Bernardino; Au-Alvarez, Oscar","2-(4-Chloroanilino)- and 2-(4-methoxyanilino)-1,2-diphenylethanone","Acta Crystallographica Section C","2006","62","5","o304","o306","10.1107/S0108270106012881","","","0.71073","MoKα","","0.0446","0.0372","","","0.0977","0.1007","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015292","5.823","0.0008","10.069","0.001","27.316","0.003","90","","91.75","0.01","90","","1600.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-methoxyanilino)-1,2-diphenylethanone","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","DN3012","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Soto, Bernardino; Au-Alvarez, Oscar","2-(4-Chloroanilino)- and 2-(4-methoxyanilino)-1,2-diphenylethanone","Acta Crystallographica Section C","2006","62","5","o304","o306","10.1107/S0108270106012881","","","0.71073","MoKα","","0.0544","0.043","","","0.11","0.1194","","","","","","1.024","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015293","6.5812","0.0011","10.5084","0.0013","19.216","0.002","90","","90","","90","","1328.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-Deoxy-7-propynyl-7-deazaadenosine","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C56 H64 N16 O12 -","4","1","FA1183","Seela, Frank; Shaikh, Khalil I.; Budow, Simone; Eickmeier, Henning","2'-Deoxy-7-propynyl-7-deazaadenosine: a DNA duplex-stabilizing nucleoside","Acta Crystallographica Section C","2006","62","5","o246","o248","10.1107/S0108270106008870","","","0.71073","MoKα","","0.0646","0.0522","","","0.1348","0.1457","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015294","15.0522","0.001","29.721","0.002","15.3753","0.001","90","","90","","90","","6878.4","0.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","racemic cis-(2,2'-bipyridyl-κ^2^N,N')oxo(pentane-2,4-dionato- κ^2^O,O')(thiocyanato-κN)vanadium(IV)","","- C16 H15 N3 O3 S V -","- C16 H15 N3 O3 S V -","- C256 H240 N48 O48 S16 V16 -","16","2","FA3005","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in racemic <i>cis</i>-(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')oxo(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(thiocyanato-κ<i>N</i>)vanadium(IV)","Acta Crystallographica Section C","2006","62","5","m177","m179","10.1107/S0108270106008158","","","0.71073","MoKα","","0.0806","0.0526","","","0.1237","0.135","","","","","","1.126","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015295","9.422","0.003","5.1788","0.0017","9.388","0.003","90","","94.92","0.03","90","","456.4","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","distrontium dicopper(II) tellurium(VI) hexaoxide dibromide","","- Br2 Cu2 O6 Sr2 Te -","- Br2 Cu2 O6 Sr2 Te -","- Br4 Cu4 O12 Sr4 Te2 -","2","0.5","FA3009","Takagi, Rie; Johnsson, Mats","Sr~2~Cu~2~TeO~6~Br~2~: honeycomb layers of copper(II) ions","Acta Crystallographica Section C","2006","62","5","i38","i40","10.1107/S0108270106013047","","","0.71073","MoKα","","0.0974","0.0497","","","0.1109","0.1263","","","","","","0.883","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015296","9.0592","0.0004","10.3156","0.0005","25.0534","0.0012","90","","90","","90","","2341.27","0.19","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","10,11-dihydrocarbamazepine","10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C120 H112 N16 O8 -","8","1","FG3005","Harrison, William T. A.; Yathirajan, H. S.; Anilkumar, H. G.","An orthorhombic polymorph of 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2006","62","5","o240","o242","10.1107/S0108270106008651","","","0.71073","MoKα","","0.0496","0.0416","","","0.1041","0.1084","","","","","","1.085","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015297","12.3391","0.0002","7.178","0.0001","22.8065","0.0004","90","","90","","90","","2019.97","0.06","160","1","160","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-epicandicandiol ethanol solvate","ent-7α,18-hydroxykaur-16-ene ethanol solvate","","- C22 H38 O3 -","- C22 H38 O3 -","- C88 H152 O12 -","4","1","FG3006","Linden, Anthony; Şahın, F. Pınar; Ezer, Nurten; Çalış, İhsan","<i>ent</i>-7α,18-Hydroxykaur-16-ene ethanol solvate","Acta Crystallographica Section C","2006","62","5","o253","o255","10.1107/S0108270106008638","","","0.71073","MoKα","","0.0577","0.0418","","","0.103","0.1117","","","","","","1.032","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015298","20.777","0.003","8.4689","0.0011","33.55","0.005","90","","90","","90","","5903.4","1.4","173","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[tetrakis(3-phenylpropylammonium) [iodoplumbate(II)-tri-μ-iodo-plumbate(II)-tri-μ-iodo- iodoplumbate(II)-di-μ-iodo]]","","- C36 H56 I10 N4 Pb3 -","- C36 H56 I10 N4 Pb3 -","- C144 H224 I40 N16 Pb12 -","4","0.5","FG3008","Billing, David G.; Lemmerer, Andreas","<i>catena</i>-Poly[tetrakis(3-phenylpropylammonium) [iodoplumbate(II)-tri-μ-iodo-plumbate(II)-tri-μ-iodo-iodoplumbate(II)-di-μ-iodo]]","Acta Crystallographica Section C","2006","62","5","m174","m176","10.1107/S0108270106009127","","","0.71073","MoKα","","","0.0494","","","","0.0938","","","","","","1.138","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015299","3.7965","0.0011","15.078","0.005","10.972","0.004","90","","97.082","0.006","90","","623.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ~2~-<i>trans</i>-1,2-bis(4-pyridyl)ethylene-di-μ~3~-chloro-dicopper(I)]","","- C12 H10 Cl2 Cu2 N2 -","- C12 H10 Cl2 Cu2 N2 -","- C24 H20 Cl4 Cu4 N4 -","2","0.5","FG3011","Li, Zhi-Gang; Xu, Jing-Wei; Jia, Heng-Qing; Hu, Ning-Hai","Poly[di-μ~3~-chloro-μ~2~-<i>trans</i>-1,2-di-4-pyridylethylene-dicopper(I)]: a two-dimensional organic‒inorganic hybrid constructed from linear CuCl clusters and bridging ligands","Acta Crystallographica Section C","2006","62","5","m205","m207","10.1107/S0108270106011814","","","0.71073","MoKα","","0.0871","0.0546","","","0.1075","0.1198","","","","","","1.054","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015300","8.5826","0.0012","10.5117","0.0014","13.1078","0.0017","103.902","0.002","107.988","0.002","91.639","0.002","1085","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Di-μ~2~-sulfito-κ^4^O,O':κ^4^O',O''-[2,4,6-tris(2-pyridyl)- 1,3,5-triazine-κ^3^N^2^,N^1^,N^6^]cadmium(II) octahydrate","","- C36 H40 Cd2 N12 O14 S2 -","- C36 H40 Cd2 N12 O14 S2 -","- C36 H40 Cd2 N12 O14 S2 -","1","0.5","FG3013","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Di-μ~2~-sulfito-κ^8^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>''-bis[(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)cadmium(II)] octahydrate","Acta Crystallographica Section C","2006","62","5","m195","m198","10.1107/S0108270106012078","","","0.71073","MoKα","","0.0364","0.0332","","","0.0851","0.0881","","","","","","0.843","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015301","9.675","0.005","10.401","0.006","11.063","0.007","90","","110.86","0.03","90","","1040.3","1.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","18-deoxy-13β,14-dihydrolycoctam","","- C23 H35 N O4 -","- C23 H35 N O4 -","- C46 H70 N2 O8 -","2","1","FG3014","Benn, Michael; Parvez, Masood; Edwards, Oliver Edward","18-Deoxy-13β,14-dihydrolycoctam: the lycoctamone rearrangement confirmed","Acta Crystallographica Section C","2006","62","5","o283","o285","10.1107/S0108270106011620","","","0.71073","MoKα","","0.123","0.051","","","0.099","0.124","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015302","10.0301","0.0008","14.1408","0.0011","24.9919","0.0009","85.82","0.002","86.556","0.002","80.066","0.002","3478.2","0.4","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","μ-2,2'-bipyrimidine-1κ^2^N^1^,N1'^:2κ^2^N^3^,N^3'^- bis{tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato-κ^2^O,O']terbium(III)} ethyl acetate solvate","","- C60 H38 F18 N4 O14 S6 Tb2 -","- C60 H38 F18 N4 O14 S6 Tb2 -","- C120 H76 F36 N8 O28 S12 Tb4 -","2","1","GA1121","Kirschbaum, Kristin; Fratini, Albert; Swavey, Shawn","The twinned crystal structure of μ-2,2'-bipyrimidine-1κ^2^<i>N</i>^1^,<i>N</i>^1'^:2κ^2^<i>N</i>^3^,<i>N</i>^3'^-bis{tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']terbium(III)} ethyl acetate solvate","Acta Crystallographica Section C","2006","62","5","m186","m187","10.1107/S0108270106008389","","","0.71073","MoKα","","0.0429","0.0415","","","0.1203","0.1214","","","","","","1.177","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015303","7.55","0.005","44.57","0.07","13.791","0.008","90","","119.88","0.03","90","","4024","7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[aqua(thiosulfato-κ^2^O,S)[2,4,6-tris(2-pyridyl)-1,3,5-triazine- κ^3^N,N',N'']zinc(II)] monohydrate","","- C36 H30 N12 O9 S4 Zn2 -","- C36 H30 N12 O9 S4 Zn2 -","- C144 H120 N48 O36 S16 Zn8 -","4","1","GA3004","M. Enriqueta Díaz de Vivar; Sergio Baggio; Ricardo Baggio","Aqua(thiosulfato-κ^2^<i>O</i>,<i>S</i>)[2,4,6-tri-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^]zinc(II) hemihydrate","Acta Crystallographica Section C","2006","62","5","m192","m194","10.1107/S0108270106010560","","","0.71073","MoKα","","0.1576","0.0492","","","0.0601","0.0825","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015304","17.0805","0.0018","17.0805","0.0018","9.2818","0.0015","90","","90","","90","","2707.9","0.6","298","2","298","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","trans-Dichlorotetrabenzimidazolecadmium(II) tetrabenzimidazole","","- C56 H48 Cd Cl2 N16 -","- C56 H48 Cd Cl2 N16 -","- C112 H96 Cd2 Cl4 N32 -","2","0.25","GD3005","Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li; Li, Li; Wang, Shu-Xia","<i>trans</i>-Dichlorotetrabenzimidazolecadmium(II) tetrabenzimidazole: a three-dimensional supramolecular structure built from C—H···π, N—H···Cl and N—H···N hydrogen bonds","Acta Crystallographica Section C","2006","62","5","m180","m182","10.1107/S0108270106008973","","","0.71073","MoKα","","0.0418","0.0364","","","0.0895","0.0924","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015305","46.263","0.002","46.263","0.002","7.203","0.0007","90","","90","","120","","13350.9","1.5","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","cis-Diaqua[(E)-2-(2-oxidobenzylideneamino-κO)benzoato-κO']copper(II)","","- C14 H13 Cu N O5 -","- C14 H13 Cu N O5 -","- C504 H468 Cu36 N36 O180 -","36","2","GD3011","Lu, Li-Ping; Yao, Shu-Qin; Zhu, Miao-Li","<i>cis</i>-Diaqua[(<i>E</i>)-2-(2-oxidobenzylideneamino-κ^2^<i>N</i>,<i>O</i>)benzoato-κ<i>O</i>]copper(II): tubes built from O—H···O hydrogen-bonding, π‒π and C—H···π interactions","Acta Crystallographica Section C","2006","62","5","m220","m222","10.1107/S0108270106013242","","","0.71073","MoKα","","0.1059","0.0716","","","0.1458","0.1602","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015306","9.4708","0.0002","10.2139","0.0002","10.7512","0.0002","105.804","0.001","99.141","0.001","116.32","0.001","848.5","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","perhydro-pyrrolo-benzofuran","1-cyclohexyl-6,6,8a-trimethyl-3a,6,7,8a-tetrahydro- 1H-[1]benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C38 H54 N2 O6 -","2","1","GD3014","Yathirajan, H. S.; Narasegowda, R. S.; Lynch, D. E.; Narasimhamurthy, T.; Rathore, R. S.","Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly <i>via</i> co-operative intermolecular C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","5","o277","o280","10.1107/S010827010601119X","","","0.71073","MoKα","","0.0436","0.0389","","","0.1039","0.107","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015307","7.2348","0.0002","10.1212","0.0005","11.6287","0.0006","77.031","0.002","79.285","0.003","76.872","0.003","799.89","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","perhydro-pyrrolo-benzofuran","6,6,8a-trimethyl-1-phenyl-3a,6,7,8a-tetrahydro- 1H-[1]benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","GD3014","Yathirajan, H. S.; Narasegowda, R. S.; Lynch, D. E.; Narasimhamurthy, T.; Rathore, R. S.","Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly <i>via</i> co-operative intermolecular C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","5","o277","o280","10.1107/S010827010601119X","","","0.71073","MoKα","","0.0561","0.0438","","","0.1108","0.1173","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015308","7.233","0.0002","9.8165","0.0003","11.6008","0.0003","78.541","0.002","78.992","0.002","77.302","0.001","778.13","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","perhydro-pyrrolo-benzofuran","6,6,8a-trimethyl-1-(3-pyridyl)-3a,6,7,8a-tetrahydro- 1H-[1]benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C36 H40 N4 O6 -","2","1","GD3014","Yathirajan, H. S.; Narasegowda, R. S.; Lynch, D. E.; Narasimhamurthy, T.; Rathore, R. S.","Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly <i>via</i> co-operative intermolecular C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","5","o277","o280","10.1107/S010827010601119X","","","0.71073","MoKα","","0.043","0.0388","","","0.1013","0.1044","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015309","14.687","0.005","9.84","0.005","6.877","0.005","90","","93.836","0.005","90","","991.6","0.9","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methyl-4-nitroanilinium bromide","","- C7 H9 Br N2 O2 -","- C7 H9 Br N2 O2 -","- C28 H36 Br4 N8 O8 -","4","1","GD3015","Lemmerer, Andreas; Billing, David G.","Hydrogen bonding in isomorphous 2-methyl-4-nitroanilinium bromide and iodide","Acta Crystallographica Section C","2006","62","5","o271","o273","10.1107/S0108270106011358","","","0.71069","MoKα","","","0.0575","","","","0.2196","","","","","","1.205","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015310","14.671","0.004","9.83","0.003","6.875","0.002","90","","93.782","0.007","90","","989.3","0.5","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methyl-4-nitroanilinium iodide","","- C7 H9 I N2 O2 -","- C7 H9 I N2 O2 -","- C28 H36 I4 N8 O8 -","4","1","GD3015","Lemmerer, Andreas; Billing, David G.","Hydrogen bonding in isomorphous 2-methyl-4-nitroanilinium bromide and iodide","Acta Crystallographica Section C","2006","62","5","o271","o273","10.1107/S0108270106011358","","","0.71073","MoKα","","","0.0701","","","","0.1865","","","","","","0.941","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015311","8.8875","0.0003","8.991","0.0003","17.6023","0.0007","90.406","0.002","92.2227","0.0019","105.032","0.002","1357.19","0.09","173","","173","","","","","","","","","4","P -1","-P 1","2","","13-hydroxy-13-[(triisopropylsilyl)ethynyl]pentacen-6(13H)-one","","- C33 H34 O2 Si -","- C33 H34 O2 Si -","- C66 H68 O4 Si2 -","2","1","GG3004","Boudebous, Amar; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, M.; Schaffner, S.","A hydrogen-bonded dimer of 13-hydroxy-13-[(triisopropylsilyl)ethynyl]pentacen-6(13<i>H</i>)-one","Acta Crystallographica Section C","2006","62","5","o243","o245","10.1107/S0108270106008262","","","0.71073","MoKα","","0.0868","0.0465","","0.0968","0.0643","0.0643","","","","","","1.071","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015312","7.0515","0.0007","9.0031","0.0012","11.237","0.002","90","","93.69","0.011","90","","711.91","0.17","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-Methoxy-6-oxopyrimidin-4-yl)formamide","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C24 H28 N12 O12 -","4","1","GG3008","Torre, José M. de la; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","<i>N</i>-(2-Methoxy-6-oxo-1,6-dihydropyrimidin-4-yl)formamide: hydrogen-bonded sheets of centrosymmetric <i>R</i>~2~^2^(8) and <i>R</i>~6~^4^(28) rings","Acta Crystallographica Section C","2006","62","5","o256","o258","10.1107/S0108270106008663","","","0.71073","MoKα","","0.1286","0.0511","","","0.11","0.1465","","","","","","1.105","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015313","13.11","0.003","13.11","0.003","38.751","0.008","90","","90","","90","","6660","3","102","","102","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","dimethylammonium hydrogen diphenyldiphosphonate","","- C28 H38 N2 O10 P4 -","- C14 H19 N O5 P2 -","- C224 H304 N16 O80 P32 -","16","1","HJ1093","Courtney, Brandy H.; Juma, Booker W. O.; Watkins, Steven F.; Fronczek, Frank R.; Stanley, George G.","Symmetric hydrogen bonding in dimethylammonium hydrogen diphenyldiphosphonate","Acta Crystallographica Section C","2006","62","5","o268","o270","10.1107/S0108270106009528","","","0.71073","MoKα","","0.074","0.043","","","0.086","0.095","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015314","7.4129","0.0005","12.2875","0.0008","23.5594","0.0015","77.694","0.002","82.07","0.002","89.936","0.002","2075.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-[1-(Pentafluorophenyl)ethyl]acetamide","","- C10 H8 F5 N O -","- C10 H8 F5 N O -","- C80 H64 F40 N8 O8 -","8","4","HJ3006","Guzei, Ilia A.; Gorske, Benjamin C.; Blackwell, Helen E.","<i>N</i>-[1-(Pentafluorophenyl)ethyl]acetamide","Acta Crystallographica Section C","2006","62","5","o286","o288","10.1107/S0108270106012121","","","0.71073","Mo-Kα","","0.0411","0.0308","","","0.0804","0.0892","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015315","10.741","0.002","5.567","0.001","7.497","0.001","90","","113.78","0.03","90","","410.23","0.15","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","sodium indium chromate hydrate","sodium indium(III) chromate(VI) dihydrate","","- Cr2 H4 In Na O10 -","- Cr2 H4 In Na O10 -","- Cr4 H8 In2 Na2 O20 -","2","0.25","IZ3003","Kolitsch, Uwe","NaIn(CrO~4~)~2~·2H~2~O, the first indium(III) member of the kröhnkite family","Acta Crystallographica Section C","2006","62","5","i35","i37","10.1107/S0108270106012996","","","0.71073","MoKα","","0.0292","0.0236","","","0.0571","0.0596","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015316","8.2764","0.0002","19.7124","0.0006","8.7321","0.0003","90","","115.007","0.003","90","","1291.07","0.07","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(Methoxycarbonyl)phenylboronic acid","","- C8 H9 B O4 -","- C8 H9 B O4 -","- C48 H54 B6 O24 -","6","1.5","JZ3006","Lulinski, Sergiusz; Serwatowski, Janusz","2-(Methoxycarbonyl)phenylboronic acid","Acta Crystallographica Section C","2006","62","5","o301","o303","10.1107/S0108270106012297","","","0.71073","MoKα","","0.0378","0.0325","","","0.0923","0.0941","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015317","5.185","0.001","16.668","0.003","10.458","0.002","90","","101.9","0.03","90","","884.4","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[4-(Aminocarbonyl)butyl]guanidinium bis(hydrogensquarate)","","- C14 H19 N5 O9 -","- C14 H19 N5 O9 -","- C28 H38 N10 O18 -","2","1","KP2003","Tsonko Kolev; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge","<small>L</small>-Argininamidium bis(hydrogensquarate)","Acta Crystallographica Section C","2006","62","5","o299","o300","10.1107/S0108270106012108","","","0.71073","MoKα","","0.074","0.0446","","","0.0911","0.0993","","","","","","1.008","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015318","10.338","0.002","12.012","0.002","12.065","0.002","90","","93.39","0.03","90","","1495.6","0.5","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","bis[3,6,9-trimethyl- 3,12-epoxy-3,4,5,5a,6,7,8,8a,9,10-decahydro-12H- pyrano[4,3-j][1,2]benzodioxepin-10-yl] ether","","- C30 H46 O9 -","- C30 H46 O9 -","- C60 H92 O18 -","2","1","LN1194","Yue, Zheng-Yu; Li, Shu-Hui; Gao, Po; Zhang, Jin-Hui; Yan, Peng-Fei","A dimer of α- and β-dihydroartemisinin: bis(3,6,9-trimethyl-3,12-epidioxy-3,4,5,5a,6,7,8,8a,9,10-decahydro-12<i>H</i>-pyrano[4,3-<i>j</i>][1,2]benzodioxepin-10-yl) ether","Acta Crystallographica Section C","2006","62","5","o281","o282","10.1107/S0108270106009048","","","0.71073","MoKα","","0.0675","0.0582","","","0.1493","0.1557","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015319","7.1791","0.0019","13.853","0.004","20.609","0.005","90","","94.3564","0.0009","90","","2043.7","0.9","173.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloro(4,4'-dipentyl-2,2'-bipyridine-κ^2^N,N')platinum(II)","","- C20 H28 Cl2 N2 Pt -","- C20 H28 Cl2 N2 Pt -","- C80 H112 Cl8 N8 Pt4 -","4","1","OB1249","Kato, Masako; Okada, Yoshiko; Shishido, Yasuko; Kishi, Shinobu","Dichloro(4,4'-dialkyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II), where alkyl is pentyl and heptyl","Acta Crystallographica Section C","2006","62","5","m171","m173","10.1107/S010827010600758X","","","0.7107","MoKα","","","0.0667","","","","0.1801","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015320","15.102","0.008","10.781","0.006","16.525","0.01","90","","112.57","0.003","90","","2484","2","173.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichloro(4,4'-diheptyl-2,2'-bipyridine-κ^2^N,N')platinum(II)","","- C24 H36 Cl2 N2 Pt -","- C24 H36 Cl2 N2 Pt -","- C96 H144 Cl8 N8 Pt4 -","4","1","OB1249","Kato, Masako; Okada, Yoshiko; Shishido, Yasuko; Kishi, Shinobu","Dichloro(4,4'-dialkyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II), where alkyl is pentyl and heptyl","Acta Crystallographica Section C","2006","62","5","m171","m173","10.1107/S010827010600758X","","","0.7107","MoKα","","","0.0409","","","","0.1151","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015321","18.138","0.004","9.589","0.0019","14.245","0.003","90","","105.3","0.03","90","","2389.8","0.9","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[trisilver(I)-di-μ~3~-N,N-diethyldithiocarbamato- 3'κ<i>S</i>:1κ<i>S</i>':2κ<i>S</i>;1κ<i>S</i>:2κ<i>S</i>':3κ<i>S</i>- μ~4~-N,N-diethyldithiocarbamato- 2κ<i>S</i>:3κ^2^<i>S</i>,<i>S</i>':1'κ<i>S</i>']","","- C15 H30 Ag3 N3 S6 -","- C15 H30 Ag3 N3 S6 -","- C60 H120 Ag12 N12 S24 -","4","0.5","OB3001","Yan-Wei Song; Zhan Yu; Qian-Feng Zhang","γ-Modification of poly[(<i>N</i>,<i>N</i>-diethyldithiocarbamato)silver(I)]","Acta Crystallographica Section C","2006","62","5","m214","m216","10.1107/S0108270106006688","","","0.71073","MoKα","","0.0405","0.0335","","","0.0763","0.0793","","","","","","1.086","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015322","5.379","0.005","9.218","0.002","9.794","0.002","90","","92.28","0.04","90","","485.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","morpholine-2,5-dione","","- C4 H5 N O3 -","- C4 H5 N O3 -","- C16 H20 N4 O12 -","4","1","OB3002","Martínez-Palau, Meritxell; Urpí, Lourdes; Solans, Xavier; Puiggalí, Jordi","Morpholine-2,5-dione","Acta Crystallographica Section C","2006","62","5","o262","o264","10.1107/S0108270106010079","","","0.71073","MoKα","","0.0594","0.044","","","0.1187","0.1296","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015323","7.5388","0.0011","8.9545","0.0013","12.1647","0.0018","80.005","0.002","85.968","0.002","83.504","0.002","802.5","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","4-[2-(dipropylamino)ethyl]-2,3-dihydro-1H-indol-2-ol hydrochloride","","- C16 H25 Cl N2 O -","- C16 H25 Cl N2 O -","- C32 H50 Cl2 N4 O2 -","2","1","SJ2022","Krishnan Ravikumar; Balasubramanian Sridhar","Ropinirole hydrochloride, a dopamine agonist","Acta Crystallographica Section C","2006","62","5","o265","o267","10.1107/S0108270106010535","","","0.71073","MoKα","","0.0397","0.0368","","","0.0994","0.1014","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015324","16.9402","0.0016","18.6388","0.0018","17.2684","0.0016","90","","110.679","0.007","90","","5101.1","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ~6~-cis-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane- 2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)] dimethylformamide pyrazine solvate","","- C47 H115 Cu8 N11 O41 Si16 -","- C47 H115 Cu8 N11 O41 Si16 -","- C94 H230 Cu16 N22 O82 Si32 -","2","0.5","SK3009","Zherlitsyna, Larissa; Auner, Norbert; Bolte, Michael","Bis(μ~6~-<i>cis</i>-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane-2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)] dimethylformamide solvate enclosing a pyrazine molecule","Acta Crystallographica Section C","2006","62","5","m199","m200","10.1107/S0108270106008924","","","0.71073","MoKα","","0.0866","0.0387","","","0.0613","0.0688","","","","","","0.743","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015325","9.6108","0.0001","9.6349","0.0001","30.6453","0.0003","90","","90","","90","","2837.73","0.05","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1,3-diisopropyl-4,5-dimethylimidazolin-2-ylidene)ammonium trichloro(1,3-diisopropyl-4,5-dimethylimidazolin-2-ylideneamine)iron(II)","","- C22 H43 Cl3 Fe N6 -","- C22 H43 Cl3 Fe N6 -","- C88 H172 Cl12 Fe4 N24 -","4","1","SK3010","Petrovic, Dejan; Tamm, Matthias; Herdtweck, Eberhardt","Strong hydrogen bonds in the ionic pair (1,3-diisopropyl-4,5-dimethyl-4-imidazolin-2-ylidene)ammonium trichloro(1,3-diisopropyl-4,5-dimethyl-4-imidazolin-2-ylideneamine)iron(II)","Acta Crystallographica Section C","2006","62","5","m217","m219","10.1107/S0108270106008778","","","0.71073","MoKα","","0.0285","0.0247","","","0.0534","0.0547","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015326","7.3497","0.0002","12.8535","0.0003","14.5334","0.0004","109.976","0.001","94.028","0.001","92.551","0.001","1283.73","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Benzyl 4-chloro-3-nitrobenzoate","","- C14 H10 Cl N O4 -","- C14 H10 Cl N O4 -","- C56 H40 Cl4 N4 O16 -","4","2","SK3011","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","A three-dimensional framework of π-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitrobenzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K","Acta Crystallographica Section C","2006","62","5","o295","o298","10.1107/S0108270106008535","","","0.71073","MoKα","","0.0481","0.0379","","","0.0939","0.1002","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015327","6.1574","0.0006","7.4487","0.0006","26.341","0.003","90","","93.362","0.003","90","","1206","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzyl 4-nitrobenzoate","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","SK3011","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","A three-dimensional framework of π-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitrobenzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K","Acta Crystallographica Section C","2006","62","5","o295","o298","10.1107/S0108270106008535","","","0.71073","MoKα","","0.0833","0.0553","","","0.1241","0.1381","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015328","7.4885","0.0007","9.5175","0.0008","16.8193","0.0013","90","","91.067","0.007","90","","1198.53","0.18","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2S,4S,SFc)-4-(methoxymethyl)-2-[(2-dibenzo-1-thio-1H-1λ^5^- phosphol-1-yl)ferrocenyl]-1,3-dioxane","","- C28 H27 Fe O3 P S -","- C28 H27 Fe O3 P S -","- C56 H54 Fe2 O6 P2 S2 -","2","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.0299","0.0273","","","0.0652","0.0664","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015329","7.111","0.0013","12.862","0.003","10.223","0.002","90","","96.73","0.02","90","","928.6","0.3","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(SFc)-[2-(2-dibenzo-1-thio-1H-1λ^5^-phosphol-1-yl)ferrocenyl]methanol","","- C23 H19 Fe O P S -","- C23 H19 Fe O P S -","- C46 H38 Fe2 O2 P2 S2 -","2","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.0288","0.0256","","","0.0596","0.0608","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015330","10.9693","0.001","11.0436","0.001","22.678","0.002","90","","90","","90","","2747.2","0.4","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(SFc)-diphenylphosphino-[2-(2-dibenzo-1H-1λ^5^-phospholyl)ferrocen-1- yl]methane","","- C35 H28 Fe P2 -","- C35 H28 Fe P2 -","- C140 H112 Fe4 P8 -","4","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.1212","0.0573","","","0.1034","0.1255","","","","","","0.93","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015331","11.735","0.003","9.263","0.003","15.34","0.002","90","","106.18","0.03","90","","1601.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-(o-Carboxybenzoyl)-L-leucine methyl ester","2-{[(1S)-1-(methoxycarbonyl)-3-methylbutyl]aminocarbonyl}benzoic acid","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C60 H76 N4 O20 -","4","2","SQ1242","Onofrio, Alvaro B.; Jäger, Eliezer; Brandão, Tiago A. S.; Bortoluzzi, Adailton J.; Nome, Faruk","<i>N</i>-(2-Carboxybenzoyl)-<small>L</small>-leucine methyl ester","Acta Crystallographica Section C","2006","62","5","o237","o239","10.1107/S0108270106006767","","","0.71073","MoKα","","0.1545","0.0603","","","0.1558","0.1923","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015332","7.378","0.003","23.875","0.006","23.984","0.006","90","","90","","90","","4225","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","","- C24 H20 Cl2 N4 -","- C24 H20 Cl2 N4 -","- C192 H160 Cl16 N32 -","8","1","SQ3007","Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz","Two polymorphic forms of <i>N</i>-(4-chlorophenyl)-5-[(4-chlorophenyl)aminomethyl]-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section C","2006","62","5","o259","o261","10.1107/S0108270106010390","","","0.71073","MoKα","","0.1301","0.0748","","","0.1317","0.1479","","","","","","1.151","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015333","15.332","0.004","7.993","0.002","17.235","0.004","90","","104.06","0.03","90","","2048.9","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","","- C24 H20 Cl2 N4 -","- C24 H20 Cl2 N4 -","- C96 H80 Cl8 N16 -","4","1","SQ3007","Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz","Two polymorphic forms of <i>N</i>-(4-chlorophenyl)-5-[(4-chlorophenyl)aminomethyl]-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section C","2006","62","5","o259","o261","10.1107/S0108270106010390","","","0.71073","MoKα","","0.079","0.0568","","","0.1346","0.1454","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015334","8.915","0.005","8.095","0.004","10.572","0.006","90","","116","0.02","90","","685.7","0.7","153","","153","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","poly[diamminehexa-μ-cyano-dicopper(I)copper(II)mercury(II)]","","- C6 H6 Cu3 Hg N8 -","- C6 H6 Cu3 Hg N8 -","- C12 H12 Cu6 Hg2 N16 -","2","0.25","SQ3012","Nishikiori, Shin-ichi; Sekiya, Ryo; Hosoya, Kazumasa","Cu~3~(CN)~4~(NH~3~)~2~Hg(CN)~2~: a novel interpenetrating framework formed from Cu^I^, Cu^II^, Hg^II^ and cyanide bridges","Acta Crystallographica Section C","2006","62","5","i32","i34","10.1107/S0108270106011711","","","0.71075","MoKα","","0.0301","0.0301","","","0.0853","0.0853","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015335","10.4178","0.0002","10.6996","0.0002","24.6636","0.0005","90","","90","","90","","2749.16","0.09","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Z-Thr(OBn)-Aib-N(Me)Ph","O-benzyl-N-(benzyloxycarbonyl)threonyl-2,N-dimethylalaninanilide","","- C30 H35 N3 O5 -","- C30 H35 N3 O5 -","- C120 H140 N12 O20 -","4","1","TR3003","Linden, Anthony; Pradeille, Nicolas; Heimgartner, Heinz","Di- and tripeptide segments of zervamicin II-2: Z-Thr(OBn)-Aib-N(Me)Ph and Z-Val-Aib-Hyp(OBn)-OMe","Acta Crystallographica Section C","2006","62","5","o249","o252","10.1107/S0108270106007992","","","0.71073","MoKα","","0.0497","0.0374","","","0.0831","0.0897","","","","","","1.072","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015336","6.2705","0.0001","9.7577","0.0002","13.2491","0.0003","106.648","0.0013","94.2733","0.001","105.726","0.0012","737.36","0.03","160","1","160","1","","","","","","","","4","P 1","P 1","1","Z-Val-Aib-Hyp(OBn)-OMe","methyl (4R)-N-(benzyloxycarbonyl)valyl-2-methylalanyl-4-(benzyloxy)prolinate","","- C30 H39 N3 O7 -","- C30 H39 N3 O7 -","- C30 H39 N3 O7 -","1","1","TR3003","Linden, Anthony; Pradeille, Nicolas; Heimgartner, Heinz","Di- and tripeptide segments of zervamicin II-2: Z-Thr(OBn)-Aib-N(Me)Ph and Z-Val-Aib-Hyp(OBn)-OMe","Acta Crystallographica Section C","2006","62","5","o249","o252","10.1107/S0108270106007992","","","0.71073","MoKα","","0.0415","0.0358","","","0.0809","0.0852","","","","","","1.07","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015337","5.0977","0.001","11.444","0.002","12.183","0.002","90","","95.58","0.03","90","","707.4","0.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[tetraaquamanganese(II)]-μ-4- (carboxylatomethylsulfanyl)phenoxyacetato]","","- C10 H16 Mn O9 S -","- C10 H16 Mn O9 S -","- C20 H32 Mn2 O18 S2 -","2","1","TY1014","Hong Su; Yun-Long Feng; Yi-Hang Wen","<i>catena</i>-Poly[[tetraaquamanganese(II)]-μ-4-(carboxylatomethylsulfanyl)phenoxyacetato]","Acta Crystallographica Section C","2006","62","5","m208","m210","10.1107/S010827010601184X","","","0.71073","MoKα","","0.0271","0.025","","","0.0537","0.0544","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015338","10.5886","0.0015","14.0238","0.0019","17.135","0.002","90","","106.838","0.002","90","","2435.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~3~glutarato-κ^3^O:O':O'')(μ~2~-1,3-di-4-pyridylpropane- κ^2^N:N')dizinc(II)]","","- C23 H26 N2 O8 Zn2 -","- C23 H26 N2 O8 Zn2 -","- C92 H104 N8 O32 Zn8 -","4","0.5","AV3006","Zhang, Qi-Wei; Wen, Yi-Hang; Feng, Yun-Long","Poly[(μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>')(μ~3~-glutarato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')dizinc(II)]","Acta Crystallographica Section C","2006","62","6","m255","m257","10.1107/S0108270106016726","","","0.71073","MoKα","","","0.0487","","","0.1122","0.1304","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015339","16.0038","0.0017","5.8679","0.0007","15.9529","0.0018","90","","104.235","0.008","90","","1452.1","0.3","93","1","","","","","","","","","","4","C 1 2 1","C 2y","5","3-methyl-2-benzothiazolinone azine","(1Z,2Z)-1,2-Bis(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazine","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C64 H56 N16 S8 -","4","1","AV3007","Nakano, Taku; Kakuda, Hiroko; Mori, Yoshihiro; Shiro, Motoo","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazine","Acta Crystallographica Section C","2006","62","6","o331","o332","10.1107/S0108270106014223","","","1.54187","CuKα","","","0.0331","","","","0.0939","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015340","8.999","0.005","11.735","0.007","12.393","0.007","90","","98.799","0.012","90","","1293.3","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-2-naphthoic‒4,4'-bipyridine (2/1)","","- C32 H24 N2 O6 -","- C32 H24 N2 O6 -","- C64 H48 N4 O12 -","2","0.5","AV3011","Lou, Ben-Yong; Huang, Xiao-Dong; Lin, Xiang-Chao","The cocrystal of 3-hydroxy-2-naphthoic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2006","62","6","o310","o311","10.1107/S0108270106013461","","","0.71073","MoKα","","0.0912","0.0542","","","0.1342","0.1581","","","","","","0.963","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015341","13.9736","0.0017","7.5445","0.0009","13.1729","0.0015","90","","119.788","0.002","90","","1205.2","0.2","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[CaZn(C~3~H~2~O~4~)~2~(H~2~O)~4~]","Poly[tetraaquadi-μ~3~-malonato-calcium(II)zinc(II)]","","- C6 H12 Ca O12 Zn -","- C6 H12 Ca O12 Zn -","- C24 H48 Ca4 O48 Zn4 -","4","0.5","AV3015","Xu-Cheng Fu; Ming-Tian Li; Xiao-Yan Wang; Cheng-Gang Wang; Xiao-Tao Deng","Poly[tetraaquadi-μ~3~-malonato-calcium(II)zinc(II)]","Acta Crystallographica Section C","2006","62","6","m258","m260","10.1107/S0108270106014582","","","0.71073","MoKα","","0.0238","0.0224","","","0.0589","0.0601","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015342","34.364","0.009","7.045","0.002","6.1736","0.0017","90","","91.349","0.004","90","","1494.2","0.7","289","2","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","diammonium trimagnesium hydrogenophosphite hexahydrate","Bis(ammonium) tris(hexaaquamagnesium) tetrakis(hydrogen phosphite)","","- H48 Mg3 N2 O30 P4 -","- H48 Mg3 N2 O30 P4 -","- H96 Mg6 N4 O60 P8 -","2","0.25","BC1091","Abdallah, Khaoulani Idrissi; Mohamed, Saadi; Mohamed, Rafiq; Abdelhalim, Guelzim","Bis(ammonium) tris(hexaaquamagnesium) tetrakis(hydrogen phosphite)","Acta Crystallographica Section C","2006","62","6","i43","i45","10.1107/S0108270106008882","","","0.71073","MoKα","","","0.033","","","","0.0915","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015343","21.3281","0.0007","21.3281","0.0007","4.1993","0.0003","90","","90","","120","","1654.29","0.14","293","","293","","","","","","","","","3","P -6","P -6","174","barium fluoride chloride","heptabarium dodecafluoride dichloride","","- Ba4.6667 Cl1.3333 F8 -","- Ba4.66667 Cl1.33333 F8 -","- Ba28 Cl8 F48 -","6","1","BC1095","Bernsteiner, Anita; Kubel, Frank","A hexagonal 2<i>a</i>,<i>c</i> superstructure of Ba~7~F~12~Cl~2~","Acta Crystallographica Section C","2006","62","6","i41","i42","10.1107/S010827010601273X","","","0.71073","MoKα","","0.0652","0.0375","","","","0.0309","","","2.382","","","2.3821","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015344","8.353","0.003","12.357","0.004","12.934","0.004","90","","103.916","0.005","90","","1295.8","0.7","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","triacetato-1κO,3κ^4^O,O'-(2,2'-iminodiethanol)-1κ^2^O,O'-bis(2,2'- iminodiethanolato)-1κ^2^O:2κ^6^O,N,O':3κ^2^O'-cobalt(III)copper(II)zinc(II)","","- C18 H38 Co Cu N3 O12 Zn -","- C18 H38 Co Cu N3 O12 Zn -","- C36 H76 Co2 Cu2 N6 O24 Zn2 -","2","1","BG1028","Nesterov, Dmytro S.; Kokozay, Volodymyr N.; Skelton, Brian W.","A heterotrimetallic Cu‒Co‒Zn complex with the 2,2'-iminodiethanol ligand","Acta Crystallographica Section C","2006","62","6","m246","m248","10.1107/S010827010601523X","","","0.71073","MoKα","","0.09","0.065","","0.118","","0.092","","","1.331","","","1.178","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015345","13.3025","0.0012","6.169","0.0006","23.026","0.002","90","","98.69","0.01","90","","1867.9","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ferrocene‒decafluorobiphenyl (1/1)","","- C22 H10 F10 Fe -","- C22 H10 F10 Fe -","- C88 H40 F40 Fe4 -","4","0.5","BG3003","Batsanov, Andrei S.; Collings, Jonathan C.; Marder, Todd B.","Arene‒perfluoroarene interactions in crystal engineering. XV. Ferrocene‒decafluorobiphenyl (1/1)","Acta Crystallographica Section C","2006","62","6","m229","m231","10.1107/S0108270106014090","","","0.71073","MoKα","","0.0536","0.0389","","","0.0911","0.0978","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015346","10.3661","0.0002","9.5622","0.0002","9.1261","0.0002","90","","108.386","0.001","90","","858.43","0.03","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","cis-(isopropylamine) ammine dichloro platinum(II)","cis-Amminedichloroisopropylamineplatinum(II)","","- C3 H12 Cl2 N2 Pt -","- C3 H12 Cl2 N2 Pt -","- C12 H48 Cl8 N8 Pt4 -","4","1","DN3009","Kirik, Sergei D.; Starkov, Aleksandr K.; Kozhuhovskay, Galina A.","<i>cis</i>-Amminedichloroisopropylamineplatinum(II) by X-ray powder diffraction analysis","Acta Crystallographica Section C","2006","62","6","m249","m251","10.1107/S0108270106013503","","","1.5418","CuKα","","","","","","","","","","1.29","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015347","7.4592","0.0017","10.251","0.002","11.624","0.003","78.603","0.005","85.529","0.007","83.151","0.008","863.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","[{Cu(phen)}~2~(tp)Mo~4~O~13~]~n~","poly[di-μ~3~-oxo-hepta-μ~2~oxo-tetraoxobis(1,10-phenanthroline)-μ~4~- terephthalato-dicopper(II)tetramolybdate(VI)","","- C32 H20 Cu2 Mo4 N4 O17 -","- C32 H20 Cu2 Mo4 N4 O17 -","- C32 H20 Cu2 Mo4 N4 O17 -","1","0.5","DN3010","Xiao-Yuan Wu; Quan-Guo Zhai; Li-Juan Chen; Can-Zhong Lu","An extended two-dimensional copper‒molybdate compound with mixed dicarboxyl and organodiamine ligands","Acta Crystallographica Section C","2006","62","6","m261","m263","10.1107/S0108270106013412","","","0.71073","MoKα","","0.0227","0.0198","","","0.0533","0.0543","","","","","","1.019","","","","has coordinates,has Fobs","201211","2020-10-21","18:00:00",""
"2015348","4.06048","0.00006","4.06048","","4.06048","","89.8693","0.0004","89.8693","","89.8693","","66.9466","0.001","4.2","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","","","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.611 O3 Pb Zn0.389 -","- Nb0.611 O3 Pb Zn0.389 -","1","0.166667","FA1185","Kisi, Erich H.; Forrester, Jennifer S.; Knight, Kevin S.","PbZn~1/3~Nb~2/3~O~3~ at 4.2 and 295K","Acta Crystallographica Section C","2006","62","6","i46","i48","10.1107/S0108270106011991","","neutron","","time-of-flightneutron","","","","","","","","","","2.48","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015349","4.0624","0.00008","4.0624","","4.0624","","89.9226","0.0005","89.9226","","89.9226","","67.042","0.0013","295","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","","","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.61 O3 Pb Zn0.39 -","1","0.166667","FA1185","Kisi, Erich H.; Forrester, Jennifer S.; Knight, Kevin S.","PbZn~1/3~Nb~2/3~O~3~ at 4.2 and 295K","Acta Crystallographica Section C","2006","62","6","i46","i48","10.1107/S0108270106011991","","neutron","","time-of-flightneutron","","","","","","","","","","1.49","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015350","16.727","0.001","14.152","0.001","8.718","0.001","90","","90.79","0.01","90","","2063.5","0.3","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","mammeigin","5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-phenyl-2H,8H- pyrano[2,3-f]chromen-2-one","","- C25 H24 O5 -","- C25 H24 O5 -","- C100 H96 O20 -","4","1","FA3017","Doriguetto, Antônio C.; Ellena, Javier; Dos Santos, Marcelo H.; Moreira, Maria E. C.; Nagem, Tanus J.","Mammeigin","Acta Crystallographica Section C","2006","62","6","o350","o352","10.1107/S0108270106017409","","","0.71073","MoKα","","","0.0436","","","","0.105","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015351","11.6451","0.0004","14.7287","0.0006","14.2679","0.0006","90","","108.09","0.001","90","","2326.23","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Nitrato-κ^2^O,O')bis(triethanolamine-κ^4^N,O,O',O'')lanthanum(III) dinitrate","","- C12 H30 La N5 O15 -","- C12 H30 La N5 O15 -","- C48 H120 La4 N20 O60 -","4","0.5","FG3009","Fowkes, Adrian; Harrison, William T. A.","(Nitrato-κ^2^<i>O</i>,<i>O</i>')bis(triethanolamine-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')lanthanum(III) dinitrate","Acta Crystallographica Section C","2006","62","6","m232","m233","10.1107/S0108270106011826","","","0.71073","MoKα","","0.0329","0.0276","","","0.0719","0.074","","","","","","1.058","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"2015352","12.4256","0.0014","12.5254","0.0015","12.6935","0.0015","79.465","0.003","89.731","0.003","89.361","0.002","1942.1","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) dibromide","","- C13 H32 Br2 N6 -","- C13 H32 Br2 N6 -","- C52 H128 Br8 N24 -","4","2","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.0942","0.0578","","","0.1285","0.1388","","","","","","0.987","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015353","17.577","0.0008","9.3797","0.0004","22.4953","0.001","90","","107.034","0.001","90","","3546","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) tetraphenylborate chloride","","- C37 H52 B Cl N6 -","- C37 H52 B Cl N6 -","- C148 H208 B4 Cl4 N24 -","4","1","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.1231","0.0439","","","0.0603","0.0722","","","","","","0.909","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015354","8.3199","0.0004","18.0809","0.0009","15.8086","0.0008","90","","104.291","0.001","90","","2304.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) tetrachloromercurate","","- C13 H32 Cl4 Hg N6 -","- C13 H32 Cl4 Hg N6 -","- C52 H128 Cl16 Hg4 N24 -","4","1","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.0322","0.0281","","","0.0843","0.0867","","","","","","1.068","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015355","8.8771","0.0007","12.3802","0.001","12.5704","0.001","108.939","0.002","91.478","0.002","97.775","0.002","1291.1","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) bis(trifluoromethanesulfonate)","","- C15 H32 F6 N6 O6 S2 -","- C15 H32 F6 N6 O6 S2 -","- C30 H64 F12 N12 O12 S4 -","2","1","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.0535","0.0456","","","0.1146","0.1206","","","","","","1.03","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015356","5.6207","0.0006","35.556","0.004","35.835","0.004","90","","90","","90","","7161.6","1.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-phenylalanyl-L-tryptophan 0.75-hydrate","","- C20 H22.5 N3 O3.75 -","- C20 H22.5 N3 O3.75 -","- C320 H360 N48 O60 -","16","4","FG3015","Görbitz, Carl Henrik","<small>L</small>-Phenylalanyl-<small>L</small>-tryptophan 0.75-hydrate","Acta Crystallographica Section C","2006","62","6","o328","o330","10.1107/S0108270106014491","","","0.71073","MoKα","","0.2144","0.079","","","0.1387","0.1822","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015357","23.988","0.005","8.754","0.005","37.986","0.005","90","","95.718","0.005","90","","7937","5","173","2","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Octakis(3-propylammonium) octadecaiodopentaplumbate(II)","","- C24 H80 I18 N8 Pb5 -","- C24 H80 I18 N8 Pb5 -","- C96 H320 I72 N32 Pb20 -","4","1","FG3016","Billing, David G.; Lemmerer, Andreas","Octakis(3-propylammonium) octadecaiodopentaplumbate(II): a new layered stucture based on layered perovskites","Acta Crystallographica Section C","2006","62","6","m238","m240","10.1107/S0108270106014417","","","0.71069","MoKα","","","0.0448","","","","0.108","","","","","","0.997","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015358","8.0388","0.0001","6.1476","0.0001","15.839","0.0001","90","","92.923","0.001","90","","781.734","0.017","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(1-thyminyl)acetamide","(1-thyminyl)acetamide(5-methyl-2,4-dioxo-1,2,3,4- tetrahydropyrimidin-1-yl)acetamide","","- C7 H9 N3 O3 -","- C7 H9 N3 O3 -","- C28 H36 N12 O12 -","4","1","GD3012","Borowiak, Teresa; Dutkiewicz, Grzegorz; Spychała, Jarosław","Molecular packing in (5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamide","Acta Crystallographica Section C","2006","62","6","o344","o345","10.1107/S0108270106015460","","","0.71073","MoKα","","0.0367","0.0363","","","0.0939","0.0942","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015359","6.889","0.002","9.684","0.003","12.719","0.004","90","","90","","90","","848.5","0.4","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Bis(1-methyl-1H-tetrazol-5-yl)diazene","","- C4 H6 N10 -","- C4 H6 N10 -","- C16 H24 N40 -","4","1","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0349","0.0308","","","0.087","0.0919","","","","","","1.044","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015360","9.943","0.002","6.4899","0.0018","18.33","0.004","90","","90","","90","","1182.8","0.5","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[[μ-1,2-bis(1-methyl-1H-tetrazol-5-yl)diazene- κ^4^N',N^4^:N,N^4'^]dicopper(I)]-di-μ-chloro]","","- C4 H6 Cl2 Cu2 N10 -","- C4 H6 Cl2 Cu2 N10 -","- C16 H24 Cl8 Cu8 N40 -","4","0.5","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0435","0.0373","","","0.0894","0.0933","","","","","","1.058","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015361","8.528","0.002","6.2456","0.0013","10.059","0.002","90","","105.462","0.019","90","","516.4","0.2","292","2","292","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1H-tetrazol-5-yl)diazene- κ^4^N',N^4^:N,N^4'^]]","","- C4 H6 Cl Cu N10 -","- C4 H6 Cl Cu N10 -","- C8 H12 Cl2 Cu2 N20 -","2","0.5","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0579","0.0457","","","0.1174","0.127","","","","","","1.065","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015362","6.6567","0.0002","9.1317","0.0003","10.8486","0.0003","99.2298","0.0016","98.278","0.002","99.5405","0.0019","631.98","0.03","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","rac-3-hydroxy-N-[1-methyl-1-(N-methyl-N-phenylcarbamoyl)ethyl]- 2-phenylpropanamide","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C26 H34 N2 O8 -","2","1","GD3017","Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz","<i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors","Acta Crystallographica Section C","2006","62","6","o339","o343","10.1107/S010827010601420X","","","0.71073","MoKα","","0.078","0.0519","","","0.1206","0.1387","","","","","","1.063","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015363","10.1934","0.0002","9.9466","0.0002","11.9331","0.0003","90","","103.392","0.0009","90","","1177","0.04","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-2-(2-hydroxy-1-phenylethyl)-4,4-dimethyl-1,3-oxazol-5(4H)-one","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","GD3017","Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz","<i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors","Acta Crystallographica Section C","2006","62","6","o339","o343","10.1107/S010827010601420X","","","0.71073","MoKα","","0.0597","0.042","","","0.0974","0.1078","","","","","","1.037","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015364","15.9437","0.0002","19.1979","0.0004","11.2587","0.0002","90","","132.918","0.0007","90","","2523.69","0.08","160","1","160","1","","","","","","","","4","C 1 c 1","C -2yc","9","","(6RS,13RS)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa- 4,11-diazacyclotetradecane-2,5,9,12-tetraone","","- C26 H30 N2 O6 -","- C26 H30 N2 O6 -","- C104 H120 N8 O24 -","4","1","GD3017","Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz","<i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors","Acta Crystallographica Section C","2006","62","6","o339","o343","10.1107/S010827010601420X","","","0.71073","MoKα","","0.0496","0.0384","","","0.0907","0.0968","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2015365","9.7917","0.001","7.9649","0.0008","15.0594","0.0016","90","","107.985","0.003","90","","1117.1","0.2","173","2","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-Poly[bis(tert-butylammonium) [plumbate(II)-tri-μ-iodo] iodide dihydrate]","","- C8 H28 I4 N2 O2 Pb -","- C8 H28 I4 N2 O2 Pb -","- C16 H56 I8 N4 O4 Pb2 -","2","0.5","GD3019","Billing, David G.; Lemmerer, A.","<i>catena</i>-Poly[bis(<i>tert</i>-butylammonium) [plumbate(II)-tri-μ-iodo] iodide dihydrate]","Acta Crystallographica Section C","2006","62","6","m264","m266","10.1107/S0108270106016167","","","0.71073","MoKα","","","0.0392","","","","0.1007","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015366","10.9366","0.0001","8.0785","0.0001","22.0995","0.0002","90","","103.324","0.001","90","","1899.96","0.03","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis[(R)-(+)-1-phenylethylammonium] (2R,3R)-(-)-di-O-p-toluoyltartrate methanol disolvate monohydrate","bis[(R)-(+)-1-phenylethylammonium] (2R,3R)-(-)-2,3-di-p-toluoyloxybutanedioate methanol disolvate monohydrate","","- C38 H50 N2 O11 -","- C38 H50 N2 O11 -","- C76 H100 N4 O22 -","2","1","GG1300","Luigi R Nassimbeni; Hong Su","Two salts of di-<i>p</i>-toluoyltartaric acid with aromatic amines","Acta Crystallographica Section C","2006","62","6","o358","o361","10.1107/S0108270106015149","","","0.71073","MoKα","","0.0381","0.0361","","","0.0938","0.0952","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015367","6.8805","0.0001","19.2606","0.0001","25.5545","0.0002","90","","90","","90","","3386.55","0.06","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(benylammonium) (2R,3R)-(-)-2,3-di-p-toluoyloxybutanedioate dihydrate","","- C34 H40 N2 O10 -","- C34 H40 N2 O10 -","- C136 H160 N8 O40 -","4","1","GG1300","Luigi R Nassimbeni; Hong Su","Two salts of di-<i>p</i>-toluoyltartaric acid with aromatic amines","Acta Crystallographica Section C","2006","62","6","o358","o361","10.1107/S0108270106015149","","","0.71073","MoKα","","0.0375","0.034","","","0.0817","0.0836","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015368","11.2499","0.0002","11.8622","0.0003","18.232","0.0005","90","","107.875","0.0015","90","","2315.59","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2RS,6SR)-N-diphenylacetyl-2,6-diphenyl-4-piperidone","","- C31 H27 N O2 -","- C31 H27 N O2 -","- C124 H108 N4 O8 -","4","1","GG3009","Thanikasalam, Kanagasabapathy; Jeyaraman, Ramasubbu; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Sheets built from C—H···O and C—H···π(arene) hydrogen bonds in (2<i>RS</i>,6<i>SR</i>)-<i>N</i>-diphenylacetyl-2,6-diphenylpiperidin-4-one and (2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,6<i>SR</i>)-3,5-dimethyl-<i>N</i>-phenylacetyl-2,6-diphenylpiperidin-4-one","Acta Crystallographica Section C","2006","62","6","o324","o327","10.1107/S0108270106013874","","","0.71073","MoKα","","0.0666","0.0454","","","0.1015","0.1126","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015369","9.9503","0.0004","11.8623","0.0006","18.5654","0.0008","77.92","0.002","84.699","0.003","85.731","0.002","2130.23","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(2RS,3SR,5RS,6SR)-3,5-dimethyl-N-phenylacetyl-2,6-diphenyl-4-piperidinone","","- C27 H27 N O2 -","- C27 H27 N O2 -","- C108 H108 N4 O8 -","4","2","GG3009","Thanikasalam, Kanagasabapathy; Jeyaraman, Ramasubbu; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Sheets built from C—H···O and C—H···π(arene) hydrogen bonds in (2<i>RS</i>,6<i>SR</i>)-<i>N</i>-diphenylacetyl-2,6-diphenylpiperidin-4-one and (2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,6<i>SR</i>)-3,5-dimethyl-<i>N</i>-phenylacetyl-2,6-diphenylpiperidin-4-one","Acta Crystallographica Section C","2006","62","6","o324","o327","10.1107/S0108270106013874","","","0.71073","MoKα","","0.1399","0.0879","","","0.2276","0.2616","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015370","16.4251","0.0007","10.2676","0.0005","16.355","0.0007","90","","90","","90","","2758.2","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(18-Crown-6)-μ-oxo-hexakis(tetrahydroborato)diuranium(IV)","(1,4,7,10,13,16-hexaoxacyclooctadecane-1κ^6^O)-μ-oxo-1:2κ^2^O:O- hexakis(tetrahydroborato)-1κ^3^H;2κ^4^H;2κ^9^H-diuranium(IV)","","- C12 H48 B6 O7 U2 -","- C12 H48 B6 O7 U2 -","- C48 H192 B24 O28 U8 -","4","1","GG3015","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(18-Crown-6)-μ-oxo-hexakis(tetrahydroborato)diuranium(IV): an unprecedented asymmetric dinuclear complex","Acta Crystallographica Section C","2006","62","6","m243","m245","10.1107/S0108270106014934","","","0.71073","MoKα","","0.0368","0.0293","","","0.057","0.059","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015371","6.0931","0.0002","10.2759","0.0003","15.2973","0.0005","90","","92.148","0.001","90","","957.12","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[4-(4-oxo-1,4-dihydro-1-pyridyl)phenyl]pyridin-4(1H)-one‒terephthalic acid","","- C24 H18 N2 O6 -","- C24 H18 N2 O6 -","- C48 H36 N4 O12 -","2","0.5","GZ3009","Li, Chen-Guang; Robinson, Paul D.; Dyer, Daniel J.","Hydrogen-bonded 1:1 adduct of 1,1'-(<i>p</i>-phenylene)dipyridin-4(1<i>H</i>)-one with terephthalic acid","Acta Crystallographica Section C","2006","62","6","o336","o338","10.1107/S0108270106015174","","","0.71073","MoKα","","0.048","0.041","","","0.116","0.121","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015372","9.2915","0.001","9.4337","0.0009","16.9287","0.0017","76.401","0.002","88.716","0.002","82.104","0.002","1428.5","0.3","130","2","130","2","","","","","","","","4","P 1","P 1","1","brucinium hydrogen L-malate pentahydrate","2,3-dimethoxy-10-oxostrychnidinium hydrogen (S)-malate pentahydrate","","- C27 H42 N2 O14 -","- C27 H42 N2 O14 -","- C54 H84 N4 O28 -","2","2","GZ3010","Graham Smith; Urs D. Wermuth; Jonathan M. White","Brucine salts of <small>L</small>-α-hydroxy acids: brucinium hydrogen (<i>S</i>)-malate pentahydrate and anhydrous brucinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate at 130K","Acta Crystallographica Section C","2006","62","6","o353","o357","10.1107/S0108270106017288","","","0.71073","MoKα","","0.0414","0.0357","","","0.0698","0.0724","","","","","","0.898","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015373","12.2719","0.0007","13.5151","0.0008","14.3814","0.0009","90","","90","","90","","2385.2","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium hydrogen L-tartrate","2,3-dimethoxy-10-oxostrychnidinium hydrogen 2(R),3(R)-tartrate","","- C27 H32 N2 O10 -","- C27 H32 N2 O10 -","- C108 H128 N8 O40 -","4","1","GZ3010","Graham Smith; Urs D. Wermuth; Jonathan M. White","Brucine salts of <small>L</small>-α-hydroxy acids: brucinium hydrogen (<i>S</i>)-malate pentahydrate and anhydrous brucinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate at 130K","Acta Crystallographica Section C","2006","62","6","o353","o357","10.1107/S0108270106017288","","","0.71073","MoKα","","0.0499","0.0395","","","0.0686","0.0709","","","","","","0.911","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015374","10.3364","0.0003","21.9437","0.0009","12.6549","0.0004","90","","93.517","0.003","90","","2864.96","0.17","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bromo(η^4^-cycloocta-1,5-diene)[1-(2,3,4,5,6-pentafluorobenzyl)- 3-(2,4,6-trimethylbenzyl)benzimidazol-2-ylidene]rhodium(I)","","- C32 H31 Br F5 N2 Rh -","- C32 H31 Br F5 N2 Rh -","- C128 H124 Br4 F20 N8 Rh4 -","4","1","GZ3014","Dinçer, Muharrem; Özdemir, Namık; Gülcemal, Süleyman; Çetinkaya, Bekir; Büyükgüngör, Orhan","Bromo(η^4^-cycloocta-1,5-diene)[1-(2,3,4,5,6-pentafluorobenzyl)-3-(2,4,6-trimethylbenzyl)benzimidazol-2-ylidene]rhodium(I)","Acta Crystallographica Section C","2006","62","6","m252","m254","10.1107/S0108270106016052","","","0.71073","MoKα","","0.0409","0.034","","","0.0911","0.0944","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015375","7.379","0.003","17.139","0.004","10.788","0.003","90","","105.6","0.02","90","","1314.1","0.7","291","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium isatin-3-semicarbazone-5-sulfonate","Sodium 2-oxo-3-semicarbazono-2,3-dihydro-1H-indole-5-sulfonate dihydrate","","- C9 H11 N4 Na O7 S -","- C9 H7 N4 Na O7 S -","- C36 H28 N16 Na4 O28 S4 -","4","1","HJ3004","Pelosi, G.; Belicchi Ferrari, M.; Rodríguez-Argüelles, M. C.; Mosquera-Vázquez, S.; Sanmartín, J.","Sodium 2-oxo-3-semicarbazono-2,3-dihydro-1<i>H</i>-indole-5-sulfonate dihydrate","Acta Crystallographica Section C","2006","62","6","m241","m242","10.1107/S0108270106011590","","","0.71069","MoKα","","0.1721","0.0566","","","0.0874","0.1117","","","","","","0.897","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015376","3.7889","0.0009","15.58","0.004","10.759","0.003","90","","93.73","0.03","90","","633.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Formylbenzonitrile","","- C8 H5 N O -","- C8 H5 N O -","- C32 H20 N4 O4 -","4","1","JZ3013","Britton, Doyle; Cramer, Christopher J.","2-Formylbenzonitrile","Acta Crystallographica Section C","2006","62","6","o307","o309","10.1107/S0108270106013138","","","0.71073","MoKα","","0.051","0.042","","","0.095","0.101","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015377","13.094","0.005","7.84","0.003","18.854","0.005","90","","126.182","0.018","90","","1562.2","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Glycylglycinato-κ^3^O,N,N')(2-methyl-1H-benzimidazole-κN^3^)copper(II) trihydrate","","- C12 H20 Cu N4 O6 -","- C12 H20 Cu N4 O6 -","- C48 H80 Cu4 N16 O24 -","4","1","OB3003","Li, Li; Zhu, Miao-Li; Lu, Li-Ping","(Glycylglycinato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>')(2-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)copper(II) trihydrate","Acta Crystallographica Section C","2006","62","6","m227","m228","10.1107/S0108270106014132","","","0.71073","MoKα","","0.0684","0.0599","","","0.1231","0.1268","","","","","","1.228","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015378","12.0141","0.0004","12.3388","0.0005","15.6913","0.0006","90","","90","","90","","2326.07","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound II","(2Z)-6-benzyl-2-buten-2-yl-1,3,6,2-dioxazaborocane","","- C27 H30 B N O2 -","- C27 H30 B N O2 -","- C108 H120 B4 N4 O8 -","4","1","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0436","0.0374","","","0.0953","0.0992","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015379","10.5916","0.0014","11.3683","0.0015","17.747","0.002","90","","90","","90","","2136.9","0.5","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound III","(2Z)-6-benzyl-2-buten-2-yl-1,3,6,2-dioxazaborocane","","- C24 H32 B N O2 -","- C24 H32 B N O2 -","- C96 H128 B4 N4 O8 -","4","1","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0351","0.0304","","","0.0772","0.0812","","","","","","1.128","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015380","9.8152","0.0004","22.6374","0.0009","10.0469","0.0004","90","","90.449","0.002","90","","2232.26","0.16","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound IV","(2<i>Z</i>)-2-buten-2-yl-6-isobutyl-1,3,6,2-dioxazaborocane","","- C27 H30 B N O2 -","- C27 H30 B N O2 -","- C108 H120 B4 N4 O8 -","4","2","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0418","0.0347","","","0.0896","0.0946","","","","","","1.032","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015381","9.3814","0.0001","9.7427","0.0001","15.51","0.001","90","","103.487","0.001","90","","1378.52","0.09","293","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(di-2-pyridylamine)oxalatocopper(II) monohydrate","","- C12 H13 Cu N3 O6 -","- C12 H13 Cu N3 O6 -","- C48 H52 Cu4 N12 O24 -","4","1","SF3005","Youngme, Sujittra; Phatchimkun, Jaturong; Chaichit, Narongsak","Aqua(di-2-pyridylamine)oxalatocopper(II) monohydrate","Acta Crystallographica Section C","2006","62","6","m267","m268","10.1107/S0108270106016398","","","0.71073","MoKα","","0.028","0.0237","","","0.0673","0.0689","","","","","","1.043","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015382","7.8647","0.0018","11.776","0.003","15.904","0.004","70.095","0.003","87.137","0.004","78.855","0.004","1358.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, hydrazine","hydrazinium saccharinate","","- C7 H9 N3 O3 S -","- C7 H9 N3 O3 S -","- C42 H54 N18 O18 S6 -","6","3","SF3006","Rahul Banerjee; Binoy K. Saha; Gautam R. Desiraju","Solid-state architecture of saccharin salts of some diamines","Acta Crystallographica Section C","2006","62","6","o346","o349","10.1107/S0108270106016374","","","0.71073","MoKα","","0.0811","0.0523","","","0.1062","0.1183","","","","","","0.996","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015383","7.1684","0.0019","9.964","0.003","13.185","0.004","84.557","0.004","86.387","0.004","76.149","0.004","909.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, ethylenedimaine","ethylenediaminium bis(saccharinate)","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","SF3006","Rahul Banerjee; Binoy K. Saha; Gautam R. Desiraju","Solid-state architecture of saccharin salts of some diamines","Acta Crystallographica Section C","2006","62","6","o346","o349","10.1107/S0108270106016374","","","0.71073","MoKα","","0.0824","0.0519","","","0.117","0.1303","","","","","","0.986","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015384","9.0016","0.0011","11.2539","0.0013","10.0269","0.0012","90","","109.196","0.001","90","","959.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","saccharin, 1,4-butyldiamine","butane-1,4-diaminium bis(saccharinate)","","- C18 H22 N4 O6 S2 -","- C18 H22 N4 O6 S2 -","- C36 H44 N8 O12 S4 -","2","0.5","SF3006","Rahul Banerjee; Binoy K. Saha; Gautam R. Desiraju","Solid-state architecture of saccharin salts of some diamines","Acta Crystallographica Section C","2006","62","6","o346","o349","10.1107/S0108270106016374","","","0.71073","MoKα","","0.0328","0.0315","","","0.0816","0.083","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015385","6.9336","0.0012","11.998","0.002","9.4691","0.0016","90","","107.365","0.002","90","","751.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Desloratadine","8-chloro-11-(4-piperidinylidene)-6,11-dihydro-5H- benzo[4,5]cyclohepta[2,1-b]pyridine","","- C19 H19 Cl N2 -","- C19 H19 Cl N2 -","- C38 H38 Cl2 N4 -","2","1","SK3005","Prashant M. Bhatt; Gautam R. Desiraju","Form I of desloratadine, a tricyclic antihistamine","Acta Crystallographica Section C","2006","62","6","o362","o363","10.1107/S0108270106012571","","","0.71073","MoKα","","0.0334","0.032","","","0.0744","0.0754","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015386","7.2865","0.0003","8.2885","0.0004","8.4596","0.0003","78.328","0.002","86.105","0.002","66.388","0.002","458.41","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","8-hydroxyquinolinium chloride monohydrate","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C18 H20 Cl2 N2 O4 -","2","1","SK3016","Janet M. S. Skakle; James L. Wardell; Solange M. S. V. Wardell","Formation of ladders from <i>R</i>~4~^4^(8) and <i>R</i>~6~^6^(12) rings in 8-hydroxyquinolinium chloride monohydrate: comparisons with the supramolecular arrangements in related salts","Acta Crystallographica Section C","2006","62","6","o312","o314","10.1107/S0108270106013473","","","0.71073","MoKα","","0.04","0.0326","","","0.0814","0.0852","","","","","","1.143","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015387","4.7917","0.0002","11.5905","0.0006","14.0496","0.0005","90","","98.372","0.003","90","","771.97","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Dinitrophenylhydrazine","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","SK3017","Wardell, James L.; Low, John N.; Glidewell, Christopher","2,4-Dinitrophenylhydrazine, redetermined at 120K: a three-dimensional framework built from N—H···O, N—H···(O)~2~, N—H···π(arene) and C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","6","o318","o320","10.1107/S0108270106013114","","","0.71073","MoKα","","0.098","0.0523","","","0.1226","0.1432","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015388","9.3617","0.0006","11.093","0.0005","7.6482","0.0004","90","","101.146","0.002","90","","779.28","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Iodoisatin","5-iodo-1H-indole-2,3-dione","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C32 H16 I4 N4 O8 -","4","1","SK3019","Garden, Simon J.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings linked by iodo‒carbonyl interactions in 5-iodoisatin and hydrogen-bonded sheets in 7-trifluoromethylisatin","Acta Crystallographica Section C","2006","62","6","o321","o323","10.1107/S0108270106014284","","","0.71073","MoKα","","0.0235","0.0201","","","0.0495","0.0509","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015389","5.1704","0.0002","15.5609","0.0011","10.578","0.0007","90","","102.713","0.004","90","","830.2","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7-trifluoromethylisatin","7-trifluoromethyl-1H-indole-2,3-dione","","- C9 H4 F3 N O2 -","- C9 H4 F3 N O2 -","- C36 H16 F12 N4 O8 -","4","1","SK3019","Garden, Simon J.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings linked by iodo‒carbonyl interactions in 5-iodoisatin and hydrogen-bonded sheets in 7-trifluoromethylisatin","Acta Crystallographica Section C","2006","62","6","o321","o323","10.1107/S0108270106014284","","","0.71073","MoKα","","0.0637","0.0409","","","0.095","0.1054","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015390","8.528","0.0012","8.861","0.0014","11.734","0.0016","100.992","0.01","93.118","0.015","110.524","0.009","808.1","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chlorophenyl)-5,8,8-trimethyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C19 H18 Cl N3 O -","- C19 H18 Cl N3 O -","- C38 H36 Cl2 N6 O2 -","2","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.0853","0.0517","","","0.1238","0.1515","","","","","","1.076","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015391","17.7659","0.0006","8.573","0.0002","11.3982","0.0003","90","","101.094","0.002","90","","1703.58","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxyphenyl)-5,8,8-trimethyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.0783","0.0533","","","0.1341","0.1526","","","","","","1.066","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015392","7.6778","0.0002","8.1298","0.0003","16.6417","0.0005","89.08","0.002","85.123","0.002","72.49","0.002","986.99","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chlorophenyl)-8,8-dimethyl-5-phenyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C24 H20 Cl N3 O -","- C24 H20 Cl N3 O -","- C48 H40 Cl2 N6 O2 -","2","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.0928","0.0486","","","0.1132","0.1339","","","","","","1.028","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015393","5.819","0.0007","10.464","0.0013","13.847","0.002","78.447","0.012","79.647","0.009","84.882","0.012","811.37","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methylphenyl)-8,8-dimethyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one monohydrate","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C38 H42 N6 O4 -","2","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.1809","0.0685","","","0.1589","0.2227","","","","","","1.043","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015394","7.8714","0.0002","6.1236","0.0002","10.5424","0.0003","90","","90","","90","","508.16","0.03","290","1","290","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dirubidium fluorotrioxophosphate","","- F O3 P Rb2 -","- F O3 P Rb2 -","- F4 O12 P4 Rb8 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0209","0.0179","","","0.0292","0.0303","","","","","","1.21","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015395","7.8403","0.0002","6.1034","0.0002","10.4813","0.0003","90","","90","","90","","501.56","0.03","130","1","130","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Di-rubidium fluorotrioxophosphate","","- F O3 P Rb2 -","- F O3 P Rb2 -","- F4 O12 P4 Rb8 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0223","0.0205","","","0.0322","0.0332","","","","","","1.39","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015396","8.308","0.002","6.3812","0.0009","11.036","0.002","90","","90","","90","","585.07","0.19","240","1","240","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dicaesium fluorotrioxophosphate","","- Cs2 F O3 P -","- Cs2 F O3 P -","- Cs8 F4 O12 P4 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0264","0.0221","","","0.0354","0.0368","","","","","","1.48","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015397","8.2821","0.0008","6.3577","0.0006","10.9827","0.0008","90","","90","","90","","578.3","0.09","100","1","100","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dicaesium fluorotrioxophosphate","","- Cs2 F O3 P -","- Cs2 F O3 P -","- Cs8 F4 O12 P4 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0191","0.0165","","","0.0334","0.0356","","","","","","1.52","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015398","7.918","0.002","10.89","0.001","27.087","0.007","90","","95.72","0.02","90","","2324","0.9","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","O-[2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl] N-(4-methylphenyl)-N-(3-nitrobenzoyl)thiocarbamate","","- C25 H19 N3 O6 S -","- C25 H19 N3 O6 S -","- C100 H76 N12 O24 S4 -","4","1","TR1130","Angelo Mugnoli; Alberto Borassi; Andrea Spallarossa; Sara Cesarini","A novel potent non-nucleoside reverse transcriptase inhibitor acylthiocarbamate derivative with extensive intramolecular π‒π interactions","Acta Crystallographica Section C","2006","62","6","o315","o317","10.1107/S0108270106013175","","","0.7107","MoKα","","0.1194","0.055","","","0.1106","0.127","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015399","11.974","0.003","12.531","0.002","20.827","0.007","89.81","0.02","73.56","0.02","68.26","0.02","2765.9","1.4","293","2","","","","","","","","","","7","P -1","-P 1","2","","[4-(2-diphenylphosphino-α-ethoxybenzyl-κP)-S-methyl-1-(4-oxo-2- pentyl-κO)thiosemicarbazido-κ^2^N^1^,N^4^]nickel(II)","","- C28 H30 N3 Ni O2 P S -","- C28 H30 N3 Ni O2 P S -","- C112 H120 N12 Ni4 O8 P4 S4 -","4","2","AV3009","Drašković, Bojana M.; Bogdanović, Goran A.; Leovac, Vukadin M.; Brčeski, Ilija D.; Poleti, Dejan","Transition metal complexes with thiosemicarbazide-based ligands. LIII. [4-(2-Diphenylphosphino-α-ethoxybenzyl-κ<i>P</i>)-<i>S</i>-methyl-1-(4-oxidopent-3-en-4-ylidene-κ<i>O</i>)thiosemicarbazido-κ^2^<i>N</i>^1^,<i>N</i>^4^]nickel(II)","Acta Crystallographica Section C","2006","62","7","m319","m322","10.1107/S0108270106018932","","","0.71073","MoKα","","","0.0436","","","","0.1169","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015400","11.106","0.003","16.5606","0.0016","12.0351","0.0018","90","","111.463","0.012","90","","2060","0.7","295","3","295","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Piroxicam Benzoate","4-Benzoyloxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide","","- C22 H17 N3 O5 S -","- C22 H17 N3 O5 S -","- C88 H68 N12 O20 S4 -","4","1","AV3014","Tatiana N. Drebushchak; Natalia N. Pankrushina; Tatiana P. Shakhtshneider; Svetlana A. Apenina","4-Benzoyloxy-2-methyl-<i>N</i>-(2-pyridyl)-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide","Acta Crystallographica Section C","2006","62","7","o429","o431","10.1107/S0108270106020567","","","0.71073","MoKα","","0.1366","0.0618","","","0.1084","0.1349","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015401","18.862","0.002","10.5138","0.0011","19.081","0.002","90","","109.154","0.002","90","","3574.5","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-biphenyl-4,4'-diaminium bis(4'-amino-1,1'-biphenyl-4-aminium) tetrakis(2-carboxy-4,6-dinitrophenolate) ethanol disolvate","","- C68 H64 N14 O30 -","- C68 H64 N14 O30 -","- C136 H128 N28 O60 -","2","0.5","AV3018","Graham Smith; Urs D. Wermuth; Jonathan M. White","Mixed dicationic and monocationic benzidine species in the proton-transfer compound of benzidine with 3,5-dinitrosalicylic acid","Acta Crystallographica Section C","2006","62","7","o402","o404","10.1107/S010827010601821X","","","0.71073","MoKα","","0.1574","0.0493","","","0.0762","0.0976","","","","","","0.867","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015402","9.409","0.002","9.409","0.002","9.409","0.002","90","","90","","90","","833","0.3","200","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","Hexafluoroiodium(VII) hexafluoroarsenate","","","- As F12 I -","- As F12 I -","- As4 F48 I4 -","4","0.166667","BC3005","Evgeny Goreshnik; Zoran Mazej","Hexafluoroiodium(VII) hexafluoroarsenate","Acta Crystallographica Section C","2006","62","7","i59","i60","10.1107/S0108270106017719","","","0.71069","MoKα","","0.0423","0.0213","","","0.0523","0.0629","","","","","","1.096","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015403","10.951","0.003","8.998","0.001","12.803","0.005","90","","128.94","0.02","90","","981.3","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ammonium gadolinium polyphosphate","ammonium gadolinium tetrakis(phosphate)","","- Gd H4 N O12 P4 -","- Gd H4 N O12 P4 -","- Gd4 H16 N4 O48 P16 -","4","1","BC3007","Ben Zarkouna, Emna; Driss, Ahmed; Férid, Mokhtar","Préparation et étude structurale de NH~4~Gd(PO~3~)~4~ et NH~4~GdP~4~O~12~","Acta Crystallographica Section C","2006","62","7","i64","i66","10.1107/S0108270106021329","","","0.71069","MoKα","","0.0304","0.0239","","","0.0532","0.0556","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015404","7.865","0.001","12.599","0.002","10.535","0.001","90","","110.83","0.01","90","","975.7","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ammonium gadolinium cyclotetraphosphate","ammonium gadolinium cyclotetraphosphate","","- Gd H4 N O12 P4 -","- Gd H4 N O12 P4 -","- Gd4 H16 N4 O48 P16 -","4","0.5","BC3007","Ben Zarkouna, Emna; Driss, Ahmed; Férid, Mokhtar","Préparation et étude structurale de NH~4~Gd(PO~3~)~4~ et NH~4~GdP~4~O~12~","Acta Crystallographica Section C","2006","62","7","i64","i66","10.1107/S0108270106021329","","","0.71069","MoKα","","0.0174","0.017","","","0.044","0.0442","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015405","12.394","0.003","14.823","0.003","14.924","0.003","97.707","0.006","113.562","0.005","112.86","0.005","2175.6","0.8","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","4-phenyl-1H-imidazolium hexa-μ~2~-chloro-chloro-μ~4~-oxo-tris(4-phenyl-1H-imidazole- κN^1^)tetracopper(II) monohydrate","","- C36 H35 Cl7 Cu4 N8 O2 -","- C36 H33 Cl7 Cu4 N8 O2 -","- C72 H66 Cl14 Cu8 N16 O4 -","2","1","DN3008","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Three oxo complexes with a tetranuclear [Cu~4~(μ~2~-Cl)~6~(μ~4~-O)] unit","Acta Crystallographica Section C","2006","62","7","m311","m314","10.1107/S0108270106021354","","","0.71073","MoKα","","0.099","0.0503","","","0.0577","0.0667","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015406","11.638","0.003","16.237","0.004","17.139","0.004","106.249","0.005","102.401","0.006","94.255","0.005","3005.5","1.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","hexa-μ~2~-chloro-chloro-μ~4~-oxo-tetrakis(pyridine N-oxide- κO)tetracopper(II) 0.2-hydrate","","- C20 H20 Cl6 Cu4 N4 O5 -","- C20 H20 Cl6 Cu4 N4 O5 -","- C80 H80 Cl24 Cu16 N16 O20 -","4","2","DN3008","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Three oxo complexes with a tetranuclear [Cu~4~(μ~2~-Cl)~6~(μ~4~-O)] unit","Acta Crystallographica Section C","2006","62","7","m311","m314","10.1107/S0108270106021354","","","0.71073","MoKα","","0.1545","0.0678","","","0.0773","0.0947","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015407","10.2454","0.0013","17.826","0.002","19.557","0.002","90","","94.877","0.002","90","","3558.9","0.7","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","hexa-μ~2~-chloro-chlorotetrakis(2-methyl-1H-imidazole- κN^1^)-μ~4~-oxo-tetracopper(II) methanol tetrasolvate, [Cu~4~Cl~6~O(C~4~H~6~N~2~)~4~].3CH~4~O","","- C19 H36 Cl6 Cu4 N8 O4 -","- C19 H36 Cl6 Cu4 N8 O4 -","- C76 H144 Cl24 Cu16 N32 O16 -","4","1","DN3008","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Three oxo complexes with a tetranuclear [Cu~4~(μ~2~-Cl)~6~(μ~4~-O)] unit","Acta Crystallographica Section C","2006","62","7","m311","m314","10.1107/S0108270106021354","","","0.71073","MoKα","","0.0695","0.0468","","","0.0986","0.1066","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015408","11.9697","0.0013","18.18","0.002","4.4626","0.0005","90","","90","","90","","971.1","0.19","295","1","295","1","","","","","","","","4","P b a m","-P 2 2ab","55","cadaverinium dichloride","Pentane-1,5-diammonium dichloride","","- C5 H16 Cl2 N2 -","- C5 H16 Cl2 N2 -","- C20 H64 Cl8 N8 -","4","0.5","DN3013","Pospieszna-Markiewicz, Izabela; Radecka-Paryzek, Wanda; Kubicki, Maciej","Cadaverinium dichloride: a case of centro‒non-centrosymmetric ambiguity","Acta Crystallographica Section C","2006","62","7","o399","o401","10.1107/S0108270106018397","","","0.71073","MoKα","","0.0501","0.0368","","","0.1","0.1086","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015409","8.094","0.002","8.522","0.003","12.847","0.005","87.2","0.02","85.7","0.01","65.92","0.02","806.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Pyridoxinium picrate","3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridinium 2,4,6-trinitrophenolate","","- C14 H14 N4 O10 -","- C14 H14 N4 O10 -","- C28 H28 N8 O20 -","2","1","DN3016","K. Anitha; S. Athimoolam; S. Natarajan","Pyridoxinium picrate","Acta Crystallographica Section C","2006","62","7","o426","o428","10.1107/S0108270106018373","","","0.71073","MoKα","","0.0596","0.0434","","","0.1192","0.1302","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015410","8.193","0.0015","12.442","0.002","12.584","0.003","109.846","0.005","99.918","0.005","98.33","0.015","1159.6","0.4","120","2","120","2","","","","","","","","3","P -1","-P 1","2","o-phenylenebis(diphenylphosphine)","1,2-bis(diphenylphosphino)benzene","","- C30 H24 P2 -","- C30 H24 P2 -","- C60 H48 P4 -","2","1","FA3012","Levason, William; Reid, Gillian; Webster, Michael","1,2-Bis(diphenylphosphino)benzene and two related mono-methiodides, [<i>o</i>-C~6~H~4~(P<i>R</i>~2~)(P<i>R</i>~2~Me)]I (<i>R</i> = Ph or Me)","Acta Crystallographica Section C","2006","62","7","o438","o440","10.1107/S0108270106015915","","","0.71073","MoKα","","0.1566","0.0563","","","0.1017","0.1319","","","","","","0.925","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015411","10.3323","0.0005","11.8412","0.001","12.7828","0.001","69.536","0.003","67.26","0.003","70.847","0.004","1317.22","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","o-phenylenebis(diphenylphosphine) monomethiodide","[2-(diphenylphosphino)phenyl]methyldiphenylphosphonium iodide","","- C31 H27 I P2 -","- C31 H27 I P2 -","- C62 H54 I2 P4 -","2","1","FA3012","Levason, William; Reid, Gillian; Webster, Michael","1,2-Bis(diphenylphosphino)benzene and two related mono-methiodides, [<i>o</i>-C~6~H~4~(P<i>R</i>~2~)(P<i>R</i>~2~Me)]I (<i>R</i> = Ph or Me)","Acta Crystallographica Section C","2006","62","7","o438","o440","10.1107/S0108270106015915","","","0.71073","MoKα","","0.0431","0.0312","","","0.0699","0.0741","","","","","","1.023","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015412","9.2002","0.0016","11.846","0.003","13.566","0.002","90","","94.312","0.014","90","","1474.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","o-phenylenebis(dimethylphosphine) monomethiodide","[2-(diphenylphosphino)phenyl]trimethylphosphonium iodide","","- C11 H19 I P2 -","- C11 H19 I P2 -","- C44 H76 I4 P8 -","4","1","FA3012","Levason, William; Reid, Gillian; Webster, Michael","1,2-Bis(diphenylphosphino)benzene and two related mono-methiodides, [<i>o</i>-C~6~H~4~(P<i>R</i>~2~)(P<i>R</i>~2~Me)]I (<i>R</i> = Ph or Me)","Acta Crystallographica Section C","2006","62","7","o438","o440","10.1107/S0108270106015915","","","0.71073","MoKα","","0.0846","0.0458","","","0.1038","0.1211","","","","","","0.967","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015413","12.442","0.003","8.333","0.0017","7.66","0.0015","90","","90.14","0.03","90","","794.2","0.3","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2,4,6-triamino-1,3,5-triazin-1,3-dium bis(trifluoroacetate) trihydrate","","- C7 H14 F6 N6 O7 -","- C7 H14 F6 N6 O7 -","- C14 H28 F12 N12 O14 -","2","0.5","FA3013","Genivaldo Júlio Perpétuo; Jan Janczak","Two crystals of doubly protonated melaminium salts: melaminium bis(trifluoroacetate) trihydrate and melaminium bis(trichloroacetate) dihydrate","Acta Crystallographica Section C","2006","62","7","o372","o375","10.1107/S0108270106015873","","","0.71073","MoKα","","0.1074","0.0445","","","0.0892","0.1048","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015414","17.865","0.003","8.465","0.002","6.117","0.001","90","","100.22","0.01","90","","910.4","0.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","2,4,6-triamino-1,3,5-triazin-1,3-dium bis(trichloroacetate) dihydrate","","- C7 H12 Cl6 N6 O6 -","- C7 H12 Cl6 N6 O6 -","- C14 H24 Cl12 N12 O12 -","2","0.5","FA3013","Genivaldo Júlio Perpétuo; Jan Janczak","Two crystals of doubly protonated melaminium salts: melaminium bis(trifluoroacetate) trihydrate and melaminium bis(trichloroacetate) dihydrate","Acta Crystallographica Section C","2006","62","7","o372","o375","10.1107/S0108270106015873","","","0.71073","MoKα","","0.0378","0.0351","","","0.0819","0.0845","","","","","","1.002","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015415","9.509","0.005","9.509","0.005","10.989","0.008","90","","90","","120","","860.5","0.9","296.1","","293","2","","","","","","","","4","R -3 :H","-R 3","148","calcium yttrium tin oxide","","","- Ca0.8 O6 Sn0.8 Y2.4 -","- Ca0.8001 O6 Sn0.8 Y2.3999 -","- Ca4.8006 O36 Sn4.8 Y14.3994 -","6","0.333333","FA3014","Yusuke Kaminaga; Hisanori Yamane; Takahiro Yamada","Ca~0.8~Y~2.4~Sn~0.8~O~6~, a quaternary oxide with mixed occupations of Ca/Y and Y/Sn","Acta Crystallographica Section C","2006","62","7","i57","i58","10.1107/S0108270106017586","","","0.710747","MoKα","","0.0186","0.0179","","","0.0411","0.0414","","","","","","1.183","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015416","6.631","0.003","7.719","0.004","9.645","0.004","92.014","0.005","92.205","0.005","110.471","0.007","461.5","0.4","118","2","118","2","","","","","","","","7","P -1","-P 1","2","","diaquatetra-μ-acetamidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate","","- C8 H20 F6 N4 O6 P Rh2 -","- C8 H20 F6 N4 O6 P Rh2 -","- C8 H20 F6 N4 O6 P Rh2 -","1","0.5","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.0333","0.0263","","","0.0563","0.0581","","","","","","1.036","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015417","11.69","0.0017","11.57","0.0013","7.98","0.0013","90","","110.51","0.006","90","","1010.9","0.3","118","2","118","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","diaquatetra-μ-acetamidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate dihydrate","","- C8 H24 F6 N4 O8 P Rh2 -","- C8 H24 F6 N4 O8 P Rh2 -","- C16 H48 F12 N8 O16 P2 Rh4 -","2","0.5","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.03","0.0265","","","0.0547","0.0558","","","","","","1.172","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015418","8.98","0.002","11.866","0.003","12.682","0.004","87.696","0.01","85.095","0.008","69.032","0.006","1257.2","0.6","118","2","118","2","","","","","","","","7","P -1","-P 1","2","","Diaquatetra-μ-propionamidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate dihydrate","","- C12 H32 F6 N4 O8 P Rh2 -","- C12 H32 F6 N4 O8 P Rh2 -","- C24 H64 F12 N8 O16 P2 Rh4 -","2","1","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.033","0.0264","","","0.0628","0.0654","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015419","9.1037","0.0004","11.0653","0.0001","14.0104","0.0005","73.667","0.01","82.14","0.01","79.49","0.01","1326.19","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Diaquatetra-μ-butyramidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate","","- C16 H36 F6 N4 O6 P Rh2 -","- C16 H36 F6 N4 O6 P Rh2 -","- C32 H72 F12 N8 O12 P2 Rh4 -","2","1","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.0506","0.0405","","","0.0666","0.0693","","","","","","1.172","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015420","21.293","0.003","5.9659","0.0008","4.4306","0.0006","90","","101.702","0.011","90","","551.13","0.13","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2',3,3',4,4',5,5',6,6'-decafluorodiphenylamine","","- C12 H F10 N -","- C12 H F10 N -","- C24 H2 F20 N2 -","2","0.5","FA3018","Grzegorczyk, Monika; Gdaniec, Maria","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine and its 1:1 cocrystal with diphenylamine","Acta Crystallographica Section C","2006","62","7","o419","o422","10.1107/S0108270106019664","","","0.71073","MoKα","","0.0292","0.0281","","","0.0789","0.0796","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015421","21.417","0.003","5.7778","0.0011","8.1895","0.0014","90","","94.312","0.013","90","","1010.5","0.3","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine‒diphenylamine (1/1)","","- C24 H12 F10 N2 -","- C24 H12 F10 N2 -","- C48 H24 F20 N4 -","2","0.5","FA3018","Grzegorczyk, Monika; Gdaniec, Maria","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine and its 1:1 cocrystal with diphenylamine","Acta Crystallographica Section C","2006","62","7","o419","o422","10.1107/S0108270106019664","","","0.71073","MoKα","","0.0502","0.0477","","","0.1123","0.1143","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015422","16.044","0.004","17.619","0.004","17.942","0.005","90","","91.571","0.005","90","","5070","2","295","2","566","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","hexa-μ~2~-acetato-acetatoaqua(di-3-pyridylamine)di-μ~3~-oxo-tetrairon(III) chloride monohydrate ethanol 1.25-solvate","","- C36.5 H50.5 Cl Fe4 N6 O19.25 -","- C36.5 H45.25 Cl Fe4 N6 O19.25 -","- C146 H181 Cl4 Fe16 N24 O77 -","4","1","FA3019","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Two oxo complexes with tetranuclear [Fe~4~(μ~3~-O)~2~]^8+^ and trinuclear [Fe~3~(μ~3~-O)]^7+^ units","Acta Crystallographica Section C","2006","62","7","m297","m302","10.1107/S0108270106020087","","","0.71073","MoKα","","0.1366","0.0677","","","0.1401","0.1599","","","","","","1.009","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015423","32.147","0.006","12.048","0.002","8.0652","0.0016","90","","90","","90","","3123.7","1","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2-methylimidazolium hexa-μ~2~-acetato-acetatodiaqua-μ~3~-oxo-triiron(III) chloride dihydrate","","- C18 H36 Cl Fe3 N2 O19 -","- C18 H28 Cl Fe3 N2 O19 -","- C72 H112 Cl4 Fe12 N8 O76 -","4","0.5","FA3019","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Two oxo complexes with tetranuclear [Fe~4~(μ~3~-O)~2~]^8+^ and trinuclear [Fe~3~(μ~3~-O)]^7+^ units","Acta Crystallographica Section C","2006","62","7","m297","m302","10.1107/S0108270106020087","","","0.71073","MoKα","","0.1551","0.0687","","","0.1645","0.2225","","","","","","1.013","","","","has coordinates,has Fobs","194047","2020-10-21","18:00:00",""
"2015424","6.704","0.002","10.493","0.003","28.536","0.007","90","","90","","90","","2007.4","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","triethylammonium adenosine cyclic 2',3'-phosphate","Triethylammonium 4-(6-aminopurin-7-yl)-6-hydroxymethyl-2-oxido-2- oxoperhydrofurano[3,4-c][1,3,2]dioxaphosphole","","- C16 H27 N6 O6 P -","- C16 H27 N6 O6 P -","- C64 H108 N24 O24 P4 -","4","1","FG3019","Krzysztof Sierosławski; Katarzyna Ślepokura; Tadeusz Lis; Małgorzata Bogucka; Joanna Lutomska; Adam Kraszewski","Different nucleobase orientations in two cyclic 2',3'-phosphates of purine ribonucleosides: Et~3~NH(2',3'-cAMP) and Et~3~NH(2',3'-cGMP)·H~2~O","Acta Crystallographica Section C","2006","62","7","o405","o409","10.1107/S0108270106017811","","","1.5418","CuKα","","0.0516","0.0466","","","0.1211","0.126","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015425","10.611","0.003","7.931","0.003","12.585","0.003","90","","96.89","0.03","90","","1051.5","0.6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","triethylammonium guanosine cyclic 2',3'-phosphate monohydrate","triethylammonium 4-(6-oxo-1,6-dihydropurin-7-yl)-6-hydroxymethyl-2-oxido-2- oxoperhydrofurano[3,4-c][1,3,2]dioxaphosphole monohydrate","","- C16 H29 N6 O8 P -","- C16 H29 N6 O8 P -","- C32 H58 N12 O16 P2 -","2","1","FG3019","Krzysztof Sierosławski; Katarzyna Ślepokura; Tadeusz Lis; Małgorzata Bogucka; Joanna Lutomska; Adam Kraszewski","Different nucleobase orientations in two cyclic 2',3'-phosphates of purine ribonucleosides: Et~3~NH(2',3'-cAMP) and Et~3~NH(2',3'-cGMP)·H~2~O","Acta Crystallographica Section C","2006","62","7","o405","o409","10.1107/S0108270106017811","","","0.71073","MoKα","","0.0626","0.0424","","","0.0738","0.0771","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015426","12.159","0.0002","8.5666","0.0001","9.9999","0.0001","90","","90","","90","","1041.6","0.02","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-(4-hydroxyphenyl)-4,4-dimethyl-2-oxazoline","2-(4-Hydroxyphenyl)-4,4-dimethyl-2-oxazoline","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","FG3022","Vratislav Langer; Dalma Gyepesová; Eva Scholtzová; Jozef Lustoň; Juraj Kronek; Miroslav Koóš","2-(4-Hydroxyphenyl)-4,4-dimethyl-2-oxazoline: X-ray and density functional theory study","Acta Crystallographica Section C","2006","62","7","o416","o418","10.1107/S0108270106019238","","","0.71073","MoKα","","0.0421","0.0364","","","0.1011","0.1054","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015427","12.9275","0.0012","14.0002","0.0013","19.6729","0.0014","100.747","0.007","102.467","0.007","96.879","0.008","3367.8","0.5","140","1","140","1","","","","","","","","5","P -1","-P 1","2","Compound (II)","{Bis(3,5-Di-tert-butyl-2-oxidobenzyl)[2-(N,N-dimethylamino)ethyl]amine- κ^4^N,N',O,O'}zinc(II)","","- C34 H54 N2 O2 Zn -","- C34 H54 N2 O2 Zn -","- C136 H216 N8 O8 Zn4 -","4","2","FG3023","Howard, Ruth H.; Bochmann, Manfred; Wright, Joseph A.","{Bis(3,5-Di-<i>tert</i>-butyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}zinc(II) and {bis(3-<i>tert</i>-butyl-5-methyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}(tetrahdyrofuran)zinc(II)","Acta Crystallographica Section C","2006","62","7","m293","m296","10.1107/S0108270106018695","","","0.71073","MoKα","","0.1111","0.0418","","","0.0617","0.0707","","","","","","0.794","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015428","13.669","0.003","17.476","0.004","12.989","0.004","90","","93.14","0.02","90","","3098.1","1.4","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound (III)","{bis(3-tert-butyl-5-methyl-2-oxidobenzyl)[2-(N,N- dimethylamino)ethyl]amine-κ^4^N,N',O,O'}(tetrahdyrofuran)zinc(II)","","- C32 H50 N2 O3 Zn -","- C32 H50 N2 O3 Zn -","- C128 H200 N8 O12 Zn4 -","4","1","FG3023","Howard, Ruth H.; Bochmann, Manfred; Wright, Joseph A.","{Bis(3,5-Di-<i>tert</i>-butyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}zinc(II) and {bis(3-<i>tert</i>-butyl-5-methyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}(tetrahdyrofuran)zinc(II)","Acta Crystallographica Section C","2006","62","7","m293","m296","10.1107/S0108270106018695","","","0.71073","MoKα","","0.2113","0.0486","","","0.0547","0.0731","","","","","","0.676","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015429","14.2329","0.0008","7.3321","0.0004","14.9255","0.001","90","","109.03","0.006","90","","1472.46","0.16","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Iodo-(picolinato-N,O)(picolinic acid-N,O)mercury(II)","Iodo(picolinato-κ^2^N,O)(picolinic acid-κ^2^N,O)mercury(II)","","- C12 H9 Hg I N2 O4 -","- C12 H9 Hg I N2 O4 -","- C48 H36 Hg4 I4 N8 O16 -","4","0.5","GA3005","Popović, Zora; Pavlović, Gordana; Soldin, Željka","Iodo(picolinato-κ^2^<i>N</i>,<i>O</i>)(picolinic acid-κ^2^<i>N</i>,<i>O</i>)mercury(II)","Acta Crystallographica Section C","2006","62","7","m272","m274","10.1107/S0108270106014788","","","0.71073","MoKα","","0.0216","0.021","","","0.0467","0.0471","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015430","13.3426","0.0014","13.3426","0.0014","9.049","0.002","90","","90","","90","","1610.9","0.4","298","2","298","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one","","- C16 H22 O4 S -","- C16 H22 O4 S -","- C64 H88 O16 S4 -","4","0.5","GA3008","Imashiro, Fumio","3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one","Acta Crystallographica Section C","2006","62","7","o410","o411","10.1107/S010827010601866X","","","0.71069","MoKα","","0.0505","0.034","","","0.0888","0.0967","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015431","14.803","0.002","14.803","0.002","16.991","0.004","90","","90","","90","","3723.2","1.1","294","2","294","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","bis[tris(ethylenediamine)zinc] tetraiodocadmate diiodide","","- C12 H48 Cd I6 N12 Zn2 -","- C12 H48 Cd I6 N12 Zn2 -","- C48 H192 Cd4 I24 N48 Zn8 -","4","0.25","GD3008","Nesterova, Oksana V.; Petrusenko, Svitlana R.; Dyakonenko, Viktoria V.; Shishkin, Oleg V.; Linert, Wolfgang","A three-dimensional framework of bis[tris(ethylenediamine)zinc] tetraiodocadmate diiodide assisted by N—H···I hydrogen bonds","Acta Crystallographica Section C","2006","62","7","m281","m283","10.1107/S0108270106017720","","","0.71073","MoKα","","0.0357","0.0272","","","0.0607","0.0619","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015432","16.4733","0.0017","11.0224","0.001","19.693","0.002","90","","96.887","0.009","90","","3550","0.6","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[Fe(Cp*)~2~][Ni(dmio)~2~]","Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ^2^S^4^,S^5^)nickelate(III) tetrahydrofuran solvate","","- C30 H38 Fe Ni O3 S8 -","- C30 H38 Fe Ni O3 S8 -","- C120 H152 Fe4 Ni4 O12 S32 -","4","1","GD3016","Rabaça, S.; Santos, I. C.; Duarte, M. T.; Gama, V.","Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III) tetrahydrofuran solvate","Acta Crystallographica Section C","2006","62","7","m278","m280","10.1107/S0108270106018191","","","0.71073","MoKα","","0.1652","0.072","","","0.122","0.149","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015433","14.708","0.003","15.633","0.003","19.158","0.004","94.99","0.03","96.62","0.03","114.88","0.03","3924.4","1.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","antimonium phthalocyanine","Tetrakis[phthalocyaninato(2-)antimony(III)] docosaiodohexaantimony(III)","","- C128 H64 I22 N32 Sb10 -","- C128 H64 I22 N32 Sb10 -","- C128 H64 I22 N32 Sb10 -","1","0.5","GD3021","Jan Janczak; Genivaldo Júlio Perpétuo","Tetrakis[phthalocyaninato(2‒)antimony(III)] docosaiodohexaantimony(III)","Acta Crystallographica Section C","2006","62","7","m323","m326","10.1107/S010827010601910X","","","0.71073","MoKα","","0.0907","0.0433","","","0.0693","0.0742","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015434","19.3785","0.0015","5.9918","0.0005","20.0293","0.0015","90","","117.813","0.001","90","","2057","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-fluorouracil‒thymine","5-fluoropyrimidine-2,4(1H,3H)-dione‒5-methylpyrimidine-2,4(1H,3H)-dione","","- C8.78 H8.34 F1.22 N4 O4 -","- C8.781 H8.34 F1.219 N4 O4 -","- C70.248 H66.72 F9.752 N32 O32 -","8","1","GG3013","Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil and thymine form a crystalline solid solution","Acta Crystallographica Section C","2006","62","7","o412","o415","10.1107/S0108270106019688","","","0.71073","MoKα","","0.0407","0.0369","","","0.093","0.0955","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015435","19.856","0.011","5.946","0.003","20.073","0.011","90","","117.66","0.008","90","","2099","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-fluorouracil, thymine","5-fluoropyrimidine-2,4(1H,3H)-dione‒5-methylpyrimidine-2,4(1H,3H)-dione","","- C8.77 H8.3 F1.23 N4 O4 -","- C8.766 H8.304 F1.234 N4 O4 -","- C70.128 H66.432 F9.872 N32 O32 -","8","1","GG3013","Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil and thymine form a crystalline solid solution","Acta Crystallographica Section C","2006","62","7","o412","o415","10.1107/S0108270106019688","","","0.71073","MoKα","","0.0802","0.0564","","","0.1264","0.1378","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015436","19.235","0.003","5.9683","0.0008","20.042","0.003","90","","118.216","0.002","90","","2027.4","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-fluorouracil, thymine","5-fluoropyrimidine-2,4(1H,3H)-dione‒5-methylpyrimidine-2,4(1H,3H)-dione","","- C8.58 H7.74 F1.42 N4 O4 -","- C8.579 H7.734 F1.421 N4 O4 -","- C68.632 H61.872 F11.368 N32 O32 -","8","1","GG3013","Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil and thymine form a crystalline solid solution","Acta Crystallographica Section C","2006","62","7","o412","o415","10.1107/S0108270106019688","","","0.71073","MoKα","","0.0462","0.0415","","","0.1071","0.11","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015437","8.2049","0.0005","11.9741","0.0008","17.9611","0.0012","90","","90","","90","","1764.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(borohydrido)(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium","","- C12 H28 B K O6 -","- C12 H28 B K O6 -","- C48 H112 B4 K4 O24 -","4","1","GZ3011","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(Borohydrido)(18-crown-6)potassium and (borohydrido)(dibenzo-18-crown-6)(tetrahydrofuran)potassium","Acta Crystallographica Section C","2006","62","7","m275","m277","10.1107/S0108270106016507","","","0.71073","MoKα","","0.0447","0.0346","","","0.0794","0.0832","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015438","9.5611","0.0004","9.9657","0.0005","26.2779","0.0015","90","","90","","90","","2503.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(borohydrido)(1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca- 2,11-diene-κ^6^<i>O</i>)(tetrahydrofuran)potassium","","- C24 H36 B K O7 -","- C24 H36 B K O7 -","- C96 H144 B4 K4 O28 -","4","1","GZ3011","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(Borohydrido)(18-crown-6)potassium and (borohydrido)(dibenzo-18-crown-6)(tetrahydrofuran)potassium","Acta Crystallographica Section C","2006","62","7","m275","m277","10.1107/S0108270106016507","","","0.71073","MoKα","","0.0652","0.0475","","","0.1209","0.1289","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015439","36.2171","0.0001","36.2171","0.0001","7.6695","0.0001","90","","90","","120","","8712.14","0.12","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","4-(4-Chlorophenyl)-3-(4-phenylpent-4-enyloxy)thiazole-2(3H)-thione","","- C20 H18 Cl N O S2 -","- C20 H18 Cl N O S2 -","- C360 H324 Cl18 N18 O18 S36 -","18","3","HJ1090","Hartung, Jens; Schwarz, Michaela; Paulus, Erich F.; Svoboda, Ingrid; Fuess, Hartmut","4-(4-Chlorophenyl)-3-(4-phenylpent-4-enyloxy)-1,3-thiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2006","62","7","o386","o388","10.1107/S0108270106004677","","","0.71073","MoKα","","0.0625","0.0487","","","0.0872","0.0964","","","","","","1.296","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015440","16.9205","0.0011","10.7034","0.0006","7.2308","0.0005","90","","99.518","0.005","90","","1291.52","0.14","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}- 4-nitratocyclohexa-2,4-dienone monohydrate","","- C11 H16 N2 O7 -","- C11 H16 N2 O7 -","- C44 H64 N8 O28 -","4","1","HJ1092","Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (<i>Z</i>)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (<i>R</i>,<i>E</i>)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","Acta Crystallographica Section C","2006","62","7","o389","o393","10.1107/S0108270106017252","","","0.71073","MoKα","","0.0662","0.0402","","","0.0975","0.1068","","","","","","0.928","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015441","23.561","0.004","23.561","0.004","5.7823","0.0008","90","","90","","120","","2779.8","0.8","296","","296","","","","","","","","","4","R 3 :H","R 3","146","","(R,E)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C99 H135 N9 O18 -","9","1","HJ1092","Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (<i>Z</i>)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (<i>R</i>,<i>E</i>)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","Acta Crystallographica Section C","2006","62","7","o389","o393","10.1107/S0108270106017252","","","0.71073","MoKα","","0.0644","0.0354","","","0.0826","0.0925","","","","","","0.808","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015442","9.7424","0.0008","10.6073","0.0008","14.482","0.0011","102.592","0.006","104.459","0.006","105.84","0.006","1326.7","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","(Z)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}- 2-ethoxyphenolate","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","2","HJ1092","Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (<i>Z</i>)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (<i>R</i>,<i>E</i>)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","Acta Crystallographica Section C","2006","62","7","o389","o393","10.1107/S0108270106017252","","","0.71073","MoKα","","0.0796","0.0389","","","0.0842","0.0952","","","","","","0.883","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015443","20.725","0.006","9.727","0.003","25.306","0.007","90","","96.095","0.004","90","","5073","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)- 1,3-dicyclohexylurea","","- C28 H30 Br N3 O4 -","- C28 H30 Br N3 O4 -","- C224 H240 Br8 N24 O32 -","8","1","HJ3008","Li Wu; Hui-Min Liu; Wen-Tao Zhao; Wen-Qin Zhang","1-(1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracen-2-ylcarbonyl)-1,3-dicyclohexylurea","Acta Crystallographica Section C","2006","62","7","o435","o437","10.1107/S0108270106016520","","","0.71073","MoKα","","0.0797","0.0424","","","0.0933","0.1076","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015444","8.9489","0.0005","11.023","0.0008","11.2885","0.0007","111.427","0.002","98.281","0.001","108.834","0.001","936.71","0.11","295","2","","","","","","","","","","4","P -1","-P 1","2","","(1SR,2SR,3SR,4RS,5RS,6RS,7SR,8RS)-7,8-Dichlorobicyclo[4.2.0]octa-2,3,4,5-tetrayl tetraacetate","","- C16 H20 Cl2 O8 -","- C16 H20 Cl2 O8 -","- C32 H40 Cl4 O16 -","2","1","HJ3010","Şahin, Ertan; Kelebekli, Latif; Kara, Yunus; Balci, Metin","(1<i>SR</i>,2<i>SR</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>,6<i>RS</i>,7<i>SR</i>,8<i>RS</i>)-7,8-Dichlorobicyclo[4.2.0]octa-2,3,4,5-tetrayl tetraacetate","Acta Crystallographica Section C","2006","62","7","o432","o434","10.1107/S0108270106018336","","","0.71073","MoKα","","","0.076","","","","0.1896","","","","","","1.321","","","","has coordinates,has Fobs","208159","2020-10-21","18:00:00",""
"2015445","11.8887","0.0006","12.8303","0.0006","10.2464","0.0004","90","","90","","90","","1562.94","0.12","293","2","293","2","","","","","","","","3","A m a 2","A 2 -2a","40","","dirubidium heptaoxodimolybdate","","- Mo2 O7 Rb2 -","- Mo2 O7 Rb2 -","- Mo16 O56 Rb16 -","8","1","IZ3004","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.","Rubidium dimolybdate, Rb~2~Mo~2~O~7~, and caesium dimolybdate, Cs~2~Mo~2~O~7~","Acta Crystallographica Section C","2006","62","7","i53","i56","10.1107/S0108270106014880","","","0.71073","MoKα","","0.0183","0.0178","","","0.0493","0.0494","","","","","","1.152","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015446","15.558","0.0005","15.1794","0.0005","7.2252","0.0002","90","","90.0059","0.0011","90","","1706.31","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dicaesium heptaoxodimolybdate","","- Cs2 Mo2 O7 -","- Cs2 Mo2 O7 -","- Cs16 Mo16 O56 -","8","2","IZ3004","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.","Rubidium dimolybdate, Rb~2~Mo~2~O~7~, and caesium dimolybdate, Cs~2~Mo~2~O~7~","Acta Crystallographica Section C","2006","62","7","i53","i56","10.1107/S0108270106014880","","","0.71073","MoKα","","0.033","0.0282","","","0.0561","0.0582","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015447","9.1608","0.0008","7.9863","0.0007","9.459","0.0008","90","","113.908","0.0012","90","","632.65","0.09","298","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicalcium zinc cobalt digermanate","","- Ca2 Co0.03 Ge2 O7 Zn0.97 -","- Ca2 Co0.03 Ge2 O7 Zn0.97 -","- Ca8 Co0.12 Ge8 O28 Zn3.88 -","4","1","IZ3005","Redhammer, Günther J.; Roth, Georg.","Commensurate monoclinic form of Ca~2~Zn~0.97~Co~0.03~Ge~2~O~7~","Acta Crystallographica Section C","2006","62","7","i61","i63","10.1107/S0108270106016180","","","0.71073","MoKα","","","0.0218","","","","0.053","","","","","","1.07","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2015448","9.7859","0.0007","9.7859","0.0007","20.3813","0.0014","90","","90","","120","","1690.3","0.2","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","7-Deaza-2,8-diazaadenosine","4-amino-7-(β-D-ribofuranosyl)-7H-pyrazolo[3,4-d][1,2,3]triazine","","- C9 H12 N6 O4 -","- C9 H12 N6 O4 -","- C54 H72 N36 O24 -","6","1","JZ3014","Lin, Wen-Qing; Ming, Xin; Eickmeier, Henning; Seela, Frank","7-Deaza-2,8-diazaadenosine","Acta Crystallographica Section C","2006","62","7","o379","o381","10.1107/S010827010601818X","","","0.71073","MoKα","","0.0546","0.0443","","","0.1185","0.1253","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015449","5.1845","0.0012","9.719","0.002","10.041","0.002","95.305","0.005","98.541","0.005","101.663","0.005","486.07","0.18","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Diphenethylterephthalamide","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","1","0.5","LN3008","Ossowski, Jerzy; Kuś, Piotr; Näther, Christian; Jones, Peter G.","Two polymorphs of <i>N</i>,<i>N</i>'-diphenethylterephthalamide","Acta Crystallographica Section C","2006","62","7","o369","o371","10.1107/S0108270106017422","","","0.71073","MoKα","","0.0616","0.0464","","","0.1196","0.127","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015450","19.688","0.002","5.0178","0.0006","10.1344","0.0011","90","","97.762","0.002","90","","992.01","0.19","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Diphenethylterephthalamide","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C48 H48 N4 O4 -","2","0.5","LN3008","Ossowski, Jerzy; Kuś, Piotr; Näther, Christian; Jones, Peter G.","Two polymorphs of <i>N</i>,<i>N</i>'-diphenethylterephthalamide","Acta Crystallographica Section C","2006","62","7","o369","o371","10.1107/S0108270106017422","","","0.71073","MoKα","","0.1158","0.0528","","","0.1171","0.1341","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015451","17.1397","0.0005","6.85","0.0002","16.1142","0.0005","90","","103.021","0.002","90","","1843.27","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(6-thioxo-1,6-dihydropurinium) tetrachlorozincate(II)","","- C10 H10 Cl4 N8 S2 Zn -","- C10 H10 Cl4 N8 S2 Zn -","- C40 H40 Cl16 N32 S8 Zn4 -","4","1","OB3005","Valkonen, Arto; Ahonen, Kari; Kolehmainen, Erkki","Bis(6-thioxo-1,6-dihydropurinium) tetrachlorozincate(II)","Acta Crystallographica Section C","2006","62","7","m290","m292","10.1107/S0108270106019469","","","0.71073","MoKα","","0.0719","0.0464","","","0.0758","0.0836","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015452","7.6177","0.0001","27.6911","0.0004","29.9256","0.0004","90","","90","","90","","6312.58","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-ketolithocholic acid","(-)-3,7-Dioxo-5β-cholanic acid","","- C24 H36 O4 -","- C24 H36 O4 -","- C288 H432 O48 -","12","3","SK3014","Kikolski, Elizabeth M.; Lalancette, Roger A.; Thompson, Hugh W.","({-})-3,7-Dioxo-5β-cholanic acid: dual hydrogen-bonding modes in a diketonic bile-acid derivative","Acta Crystallographica, Section C: Crystal Structure Communications","2006","62","7","o394","o396","10.1107/S010827010601136X","","","1.54178","CuKα","","0.04","0.036","","","0.089","0.091","","","","","","1.07","","","","has coordinates","270623","2021-11-12","13:40:30",""
"2015453","8.1697","0.0002","13.2052","0.0003","14.9286","0.0004","90","","90","","90","","1610.54","0.07","295","2","295","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κS]platinum(II)","","- C6 H15 Cl3 K O4 P Pt S -","- C6 H15 Cl3 K O4 P Pt S -","- C24 H60 Cl12 K4 O16 P4 Pt4 S4 -","4","1","SK3018","Pacifico, Concetta; Laforgia, Mariarita; Intini, Francesco P.; Padovano, Giacomo; Natile, Giovanni","Two polymorphs of potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κ<i>S</i>]platinum(II) with <i>Z</i>' = 1 and 3 in the space group <i>P</i>2~1~2~1~2~1~","Acta Crystallographica Section C","2006","62","7","m306","m310","10.1107/S0108270106021470","","","0.71073","MoKα","","0.111","0.0372","","","0.0553","0.0654","","","","","","0.868","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2015454","14.2518","0.0003","16.6754","0.0003","20.8743","0.0003","90","","90","","90","","4960.87","0.15","295","2","295","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κS]platinum(II)","","- C6 H15 Cl3 K O4 P Pt S -","- C6 H15 Cl3 K O4 P Pt S -","- C72 H180 Cl36 K12 O48 P12 Pt12 S12 -","12","3","SK3018","Pacifico, Concetta; Laforgia, Mariarita; Intini, Francesco P.; Padovano, Giacomo; Natile, Giovanni","Two polymorphs of potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κ<i>S</i>]platinum(II) with <i>Z</i>' = 1 and 3 in the space group <i>P</i>2~1~2~1~2~1~","Acta Crystallographica Section C","2006","62","7","m306","m310","10.1107/S0108270106021470","","","0.71073","MoKα","","0.1899","0.0496","","","0.0547","0.0674","","","","","","0.853","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015455","6.3684","0.0001","11.6102","0.0001","22.743","0.0002","90","","90","","90","","1681.58","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-3,11-Dioxo-5α-androstanecarboxylic acid","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","SK3023","Kikolski, Elizabeth M.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-3,11-Dioxo-5α-androstanecarboxylic acid: catemeric hydrogen bonding in a steroidal diketo acid","Acta Crystallographica Section C","2006","62","7","o397","o398","10.1107/S0108270106017677","","","1.54178","CuKα","","0.04","0.035","","","0.082","0.085","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015456","9.1114","0.0004","22.6016","0.001","7.5004","0.0003","90","","111.971","0.003","90","","1432.4","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Bromo-1,3-bis(bromomethyl)benzene","","- C8 H7 Br3 -","- C8 H7 Br3 -","- C48 H42 Br18 -","6","1.5","SK3024","Kirsop, Peter; Storey, John M. D.; Harrison, William T. A.","2-Bromo-1,3-bis(bromomethyl)benzene, with <i>Z</i>' = 1.5: whole-molecule disorder of one of the two independent molecules","Acta Crystallographica Section C","2006","62","7","o376","o378","10.1107/S0108270106017707","","","0.71073","MoKα","","0.1093","0.0839","","","0.2286","0.2534","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015457","11.1848","0.0004","7.7651","0.0004","12.3611","0.0005","90","","107.417","0.003","90","","1024.35","0.08","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(2-fluorobenzylidene)-2-thioxothaolidin-2-one","","- C10 H6 F N O S2 -","- C10 H6 F N O S2 -","- C40 H24 F4 N4 O4 S8 -","4","1","SK3027","Delgado, Paula; Quiroga, Jairo; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>Z</i>)-5-benzylidene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers that can be effectively isolated or linked into chains either by aromatic π‒π stacking interactions or by dipolar carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","7","o382","o385","10.1107/S0108270106018038","","","0.71073","MoKα","","0.0567","0.0369","","","0.0927","0.1048","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015458","4.9173","0.0002","19.8906","0.001","10.4976","0.0006","90","","92.929","0.003","90","","1025.41","0.09","298","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-fluorobenzylidene)-2-thioxothaolidin-2-one","","- C10 H6 F N O S2 -","- C10 H6 F N O S2 -","- C40 H24 F4 N4 O4 S8 -","4","1","SK3027","Delgado, Paula; Quiroga, Jairo; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>Z</i>)-5-benzylidene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers that can be effectively isolated or linked into chains either by aromatic π‒π stacking interactions or by dipolar carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","7","o382","o385","10.1107/S0108270106018038","","","0.71073","MoKα","","0.1524","0.0822","","","0.0936","0.1098","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015459","10.3432","0.0004","10.9105","0.0004","13.4621","0.0004","100.399","0.002","91.572","0.002","110.301","0.002","1394.73","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(Z)-5-(3,4,5-Trimethoxybenzylidene)-2-thioxothaolidin-2-one","","- C13 H13 N O4 S2 -","- C13 H13 N O4 S2 -","- C52 H52 N4 O16 S8 -","4","2","SK3027","Delgado, Paula; Quiroga, Jairo; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>Z</i>)-5-benzylidene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers that can be effectively isolated or linked into chains either by aromatic π‒π stacking interactions or by dipolar carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","7","o382","o385","10.1107/S0108270106018038","","","0.71073","MoKα","","0.1354","0.0632","","","0.0981","0.1187","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015460","12.168","0.0002","18.6695","0.0004","9.0443","0.0002","90","","100.03","0.002","90","","2023.2","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-Iodo-N,N-bis(2-nitrophenylsulfonyl)aniline","4-iodophenylimino bis(2-nitrobenzenesulfinate)","","- C18 H12 I N3 O8 S2 -","- C18 H12 I N3 O8 S2 -","- C72 H48 I4 N12 O32 S8 -","4","1","SK3028","Low, John N.; Skakle, Janet M. S.; Wardell, James L.; Glidewell, Christopher","4-Iodo-<i>N</i>,<i>N</i>-bis(2-nitrophenylsulfonyl)aniline: a three-dimensional framework structure built from six independent C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","7","o423","o425","10.1107/S0108270106019408","","","0.71073","MoKα","","0.0387","0.0286","","","0.0629","0.0667","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015461","9.2957","0.0004","27.5905","0.0013","11.0084","0.0005","90","","93.83","0.002","90","","2817.1","0.2","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Hydroxy-3-iodo-5-nitrobenzylidene)-3-nitroaniline","","- C13 H8 I N3 O5 -","- C13 H8 I N3 O5 -","- C104 H64 I8 N24 O40 -","8","2","SK3030","Low, John N.; Skakle, Janet M. S.; Garden, Simon J.; Wardell, James L.; Glidewell, Christopher","<i>N</i>-(2-Hydroxy-3-iodo-5-nitrobenzylidene)-3-nitroaniline: conformational isomers linked into complex sheets by five C—H···O hydrogen bonds and a two-centre iodo‒nitro interaction","Acta Crystallographica Section C","2006","62","7","o441","o443","10.1107/S0108270106020373","","","0.71073","MoKα","","0.1619","0.05","","","0.0716","0.0925","","","","","","0.874","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015462","8.6765","0.0007","9.0833","0.0006","11.2901","0.0009","73.87","0.005","82.182","0.004","65.147","0.003","775.41","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,4-Dimethylbenzaldehyde isonicotinoylhydrazone trihydrate","","- C15 H21 N3 O4 -","- C15 H21 N3 O4 -","- C30 H42 N6 O8 -","2","1","SK3031","Low, John N.; Wardell, Solange M. S. V.; Souza, Marcus V. N. de; Wardell, James L.; Glidewell, Christopher","2,4-Dimethylbenzaldehyde isonicotinoylhydrazone trihydrate: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2006","62","7","o444","o446","10.1107/S0108270106020634","","","0.71073","MoKα","","0.1382","0.0635","","","0.1415","0.1731","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015463","10.641","0.006","7.292","0.004","19.943","0.011","90","","90.001","0.012","90","","1547.5","1.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-adamantylgermatrane","1-adamantyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane","","- C16 H27 Ge N O3 -","- C16 H27 Ge N O3 -","- C64 H108 Ge4 N4 O12 -","4","1","SQ3019","Korlyukov, Alexander A.; Komissarov, Eugene A.; Alekseev, Nikolay V.; Pavlov, Konstantin V.; Krivolapova, Olga V.; Lachtin, Valentin G.","Two germatranes with bulky substituents","Acta Crystallographica Section C","2006","62","7","m303","m305","10.1107/S0108270106019317","","","0.71073","MoKα","","0.051","0.0376","","","0.0969","0.1077","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015464","9.4398","0.0013","16.69","0.002","10.3361","0.0016","90","","97.74","0.003","90","","1613.6","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(germatran-1-yl)methyl] N-cyclohexylcarbamate","(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl N-cyclohexylcarbamate","","- C14 H26 Ge N2 O5 -","- C14 H26 Ge N2 O5 -","- C56 H104 Ge4 N8 O20 -","4","1","SQ3019","Korlyukov, Alexander A.; Komissarov, Eugene A.; Alekseev, Nikolay V.; Pavlov, Konstantin V.; Krivolapova, Olga V.; Lachtin, Valentin G.","Two germatranes with bulky substituents","Acta Crystallographica Section C","2006","62","7","m303","m305","10.1107/S0108270106019317","","","0.71073","MoKα","","0.0751","0.0472","","","0.1009","0.1079","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015465","11.1308","0.0006","10.4656","0.0005","13.6747","0.0007","90","","115.152","0.004","90","","1441.93","0.14","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro[(1E,1'E)-1,1'-(pyridine-2,6-diyl)diethanone bis(O-methyloxime)-κ^2^N^2^,N^6^]copper(II)","","- C11 H15 Cl2 Cu N3 O2 -","- C11 H15 Cl2 Cu N3 O2 -","- C44 H60 Cl8 Cu4 N12 O8 -","4","1","SQ3022","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","Dichloro[(1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)diethanone bis(<i>O</i>-methyloxime)-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]copper(II)","Acta Crystallographica Section C","2006","62","7","m315","m318","10.1107/S010827010601969X","","","0.71073","MoKα","","0.0356","0.0308","","","0.0842","0.0867","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015466","12.2053","0.0011","12.3053","0.0011","18.3182","0.0017","80.629","0.006","72.455","0.006","89.961","0.006","2584.8","0.4","173","2","","","","","","","","","","5","P -1","-P 1","2","","Poly[bis[2-(1-cyclohexenyl)ethylammonium] di-μ-iodo-diodoplumbate(II)]","","- C16 H32 I4 N2 Pb -","- C16 H32 I4 N2 Pb -","- C64 H128 I16 N8 Pb4 -","4","2","TR3004","Billing, David G.; Lemmerer, Andreas","Poly[bis[2-(1-cyclohexenyl)ethylammonium] di-μ-iodo-diodoplumbate(II)]","Acta Crystallographica Section C","2006","62","7","m269","m271","10.1107/S0108270106013953","","","0.71073","MoKα","","","0.0345","","","","0.0928","","","","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015467","9.72","0.008","10.654","0.011","16.127","0.014","90","","90","","90","","1670","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 4-O-benzoyl-2,3-O-isopropylidene-α-L-rhamnopyranoside","","- C17 H22 O6 -","- C17 H22 O6 -","- C68 H88 O24 -","4","1","AV3012","Jonsson, K. Hanna M.; Eriksson, Lars; Widmalm, Göran","Methyl 4-<i>O</i>-benzoyl-2,3-<i>O</i>-isopropylidene-α-<small>L</small>-rhamnopyranoside","Acta Crystallographica Section C","2006","62","8","o447","o449","10.1107/S0108270106021603","","","1.35","synchrotron","","0.0354","0.0329","","","0.0837","0.0875","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015468","14.8167","0.0018","8.8509","0.0011","10.3631","0.0014","90","","94.9","0.01","90","","1354.1","0.3","292","3","292","3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","tricobalt(II) tellurium(VI) hexaoxide","","- Co3 O6 Te -","- Co3 O6 Te -","- Co36 O72 Te12 -","12","1.5","BC3008","Becker, Richard; Johnsson, Mats; Berger, Helmuth","A new synthetic cobalt tellurate: Co~3~TeO~6~","Acta Crystallographica, Section C","2006","62","8","i53","i55","10.1107/S010827010602347X","","","0.71073","MoKα","","0.0327","0.0306","","","0.086","0.0882","","","","","","1.171","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015469","10.9253","0.0002","15.6992","0.0003","8.3683","0.0002","90","","109.066","0.0011","90","","1356.58","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(2,2'-bipyridine-κ^2^N,N')(μ~2~-hydrogen phosphato)(μ~2~-dihydrogen phosphato)aluminium(III)]","","- C10 H11 Al N2 O8 P2 -","- C10 H11 Al N2 O8 P2 -","- C40 H44 Al4 N8 O32 P8 -","4","1","BG3011","Chippindale, Ann M.","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~2~-dihydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-hydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')aluminium(III)], Al(2,2'-bipy)(HPO~4~)(H~2~PO~4~), a layered inorganic‒organic hybrid material","Acta Crystallographica Section C","2006","62","8","m372","m374","10.1107/S0108270106024309","","","0.71073","MoKα","","0.0611","0.038","","0.0525","0.0414","0.0414","","","","","","1.1172","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015470","15.3025","0.0005","15.3025","0.0005","38.2467","0.0017","90","","90","","120","","7756.2","0.5","193","2","193","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","hexakis[tris(ethylenediamine-κ^2^N,N')nickel(II)] tricyanocuprate(I) bis{μ-cyano-bis[tricyanocuprate(I)]} nonahydrate, [Ni(C~2~H~8~N~2~)~3~]~6~[Cu~2~(CN)~7~]~2~[Cu(CN)~3~].9H~2~O","","- C53 H162 Cu5 N53 Ni6 O9 -","- C53 H162 Cu5 N53 Ni6 O9 -","- C159 H486 Cu15 N159 Ni18 O27 -","3","0.166667","DN3005","Juraj Kuchár; Juraj Černák; Werner Massa","Hexakis[tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)] tricyanocuprate(I) bis{μ-cyano-bis[tricyanocuprate(I)]} nonahydrate","Acta Crystallographica Section C","2006","62","8","m337","m339","10.1107/S0108270106015769","","","0.71073","MoKα","","0.0617","0.0362","","","0.075","0.0827","","","","","","0.893","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2015471","10.119","0.002","11.212","0.002","19.17","0.004","90","","105.26","0.03","90","","2098.2","0.8","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(ethylenediamine)nickel(II) bis[2-cyano-2-(oxidoimino)acetamide]nickelate(II) monohydrate","","- C12 H28 N12 Ni2 O5 -","- C12 H28 N12 Ni2 O5 -","- C48 H112 N48 Ni8 O20 -","4","0.5","DN3007","Andrey I. Buvaylo; Nikolay M. Dudarenko; Igor O. Fritsky; Jolanta Świątek-Kozłowska","Tris(ethylenediamine)nickel(II) bis[2-cyano-2-(oxidoimino)acetamidato]nickelate(II) monohydrate","Acta Crystallographica Section C","2006","62","8","m331","m333","10.1107/S0108270106022323","","","0.71073","MoKα","","0.0378","0.0335","","","0.0791","0.082","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015472","12.2857","0.0001","12.2857","0.0001","26.1898","0.0002","90","","90","","90","","3953.05","0.05","100","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","N-[(3R)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]- (1S,2R)-bornane-10,2-sultam 0.15-hydrate","","- C18 H26.302 N4 O5.151 S -","- C18 H26.302 N4 O5.151 S -","- C144 H210.416 N32 O41.208 S8 -","8","1","DN3017","Elemes, Yiannis; Muir, Kenneth W.","Hydrated forms of <i>N</i>-[(3<i>R</i>)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]-(1<i>S</i>,2<i>R</i>)-bornane-10,2-sultam and its enantiomer","Acta Crystallographica Section C","2006","62","8","o458","o460","10.1107/S0108270106019524","","","0.71073","MoKα","","","0.0296","","","","0.0773","","","","","","1.027","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2015473","12.2794","0.0002","12.2794","0.0002","26.3417","0.0005","90","","90","","90","","3971.9","0.12","100","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","N-[(3S)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]- (1R,2S)-bornane-10,2-sultam 0.35-hydrate","","- C18 H26.697 N4 O5.3485 S -","- C18 H26.697 N4 O5.3485 S -","- C144 H213.576 N32 O42.788 S8 -","8","1","DN3017","Elemes, Yiannis; Muir, Kenneth W.","Hydrated forms of <i>N</i>-[(3<i>R</i>)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]-(1<i>S</i>,2<i>R</i>)-bornane-10,2-sultam and its enantiomer","Acta Crystallographica Section C","2006","62","8","o458","o460","10.1107/S0108270106019524","","","0.71073","MoKα","","","0.0377","","","","0.0935","","","","","","0.977","","","","has coordinates,has Fobs","203508","2020-10-21","18:00:00",""
"2015474","29.149","0.004","5.139","0.004","14.498","0.004","90","","110.9","0.02","90","","2028.9","1.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-chloroacetyl-6-aminohexanoic acid","6-(2-Chloroacetamido)hexanoic acid","","- C8 H14 Cl N O3 -","- C8 H14 Cl N O3 -","- C64 H112 Cl8 N8 O24 -","8","2","DN3018","Gastone, Carolina; Puiggalí, Jordi; Font-Bardia, Mercè; Urpí, Lourdes","6-(2-Chloroacetamido)hexanoic acid","Acta Crystallographica Section C","2006","62","8","o498","o500","10.1107/S0108270106022827","","","0.71073","MoKα","","0.0896","0.0483","","","0.1167","0.1323","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015475","8.121","0.003","9.299","0.004","12.532","0.005","90","","91.21","0.02","90","","946.2","0.7","9","2","9","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alanyl-L-tyrosyl-L-alanine 2.63-hydrate","L-alanyl-L-tyrosyl-L-alanine 2.63-hydrate","","- C15 H26.26 N3 O7.63 -","- C15 H26.256 N3 O7.628 -","- C30 H52.512 N6 O15.256 -","2","1","FA3016","Chęcińska, Lilianna; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Two modifications of <small>L</small>-alanyl-<small>L</small>-tyrosyl-<small>L</small>-alanine with different solvent molecules in the crystal lattice","Acta Crystallographica Section C","2006","62","8","o454","o457","10.1107/S0108270106018750","","","0.5","synchrotron","","0.0249","0.0244","","","0.0673","0.0675","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015476","8.845","0.002","9.057","0.002","12.364","0.003","90","","94.56","0.03","90","","987.3","0.4","20","2","20","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alanyl-L-tyrosyl-L-alanine ethanol solvate","L-alanyl-L-tyrosyl-L-alanine ethanol solvate","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","FA3016","Chęcińska, Lilianna; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Two modifications of <small>L</small>-alanyl-<small>L</small>-tyrosyl-<small>L</small>-alanine with different solvent molecules in the crystal lattice","Acta Crystallographica Section C","2006","62","8","o454","o457","10.1107/S0108270106018750","","","0.71073","MoKα","","0.0297","0.029","","","0.0769","0.0773","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015477","6.7404","0.0014","13.298","0.003","20.954","0.004","90","","90.331","0.003","90","","1878.2","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","chloro(2,2':6',2''-terpyridine)platinum(II) chloride dimethyl sulfoxide solvate","","- C17 H17 Cl2 N3 O Pt S -","- C17 H17 Cl2 N3 O Pt S -","- C68 H68 Cl8 N12 O4 Pt4 S4 -","4","1","FG3017","Angle, Christina S.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Linda H. Doerrer","Red and yellow solvates of chloro(2,2':6',2''-terpyridine)platinum(II) chloride and Pt···Pt interactions","Acta Crystallographica Section C","2006","62","8","m340","m342","10.1107/S010827010601924X","","","0.71073","MoKα","","0.0486","0.0321","","","0.0637","0.0676","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015478","6.9085","0.0006","17.0822","0.0015","13.8402","0.0012","90","","98.586","0.002","90","","1615","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","chloro(2,2':6',2''-terpyridine)platinum(II) chloride dihydrate","","- C15 H15 Cl2 N3 O2 Pt -","- C15 H15 Cl2 N3 O2 Pt -","- C60 H60 Cl8 N12 O8 Pt4 -","4","1","FG3017","Angle, Christina S.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Linda H. Doerrer","Red and yellow solvates of chloro(2,2':6',2''-terpyridine)platinum(II) chloride and Pt···Pt interactions","Acta Crystallographica Section C","2006","62","8","m340","m342","10.1107/S010827010601924X","","","0.71073","MoKα","","0.0549","0.0454","","","0.1273","0.1332","","","","","","1.01","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2015479","7.8683","0.0004","19.4979","0.0012","9.1273","0.0005","90","","98.968","0.003","90","","1383.15","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(Isopropylideneamino)guanidinium 2-nitrobenzoate","","- C11 H15 N5 O4 -","- C11 H15 N5 O4 -","- C44 H60 N20 O16 -","4","1","FG3021","Janet M. S. Skakle; James L. Wardell; Solange M. S. V. Wardell","1-(Isopropylideneamino)guanidinium 2-nitrobenzoate: formation of corrugated sheets from <i>R</i>~2~^2^(8) and <i>R</i>~6~^4^(16) rings","Acta Crystallographica Section C","2006","62","8","o476","o477","10.1107/S0108270106020580","","","0.71073","MoKα","","0.0985","0.0576","","","0.1186","0.1328","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015480","10.375","0.001","10.532","0.001","10.893","0.001","90","","103.61","0.001","90","","1156.85","0.19","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-[Aqua-chloro-(1R,4R,8S,11S-trans-6,13-diazonium-6,13-dimethyl- 1,4,8,11-tetraazacyclortetradecane-κ^4^ N^1,4,8,11^)nickel(II)] trichloride trihydrate","","- C12 H40 Cl4 N6 Ni O4 -","- C12 H40 Cl4 N6 Ni O4 -","- C24 H80 Cl8 N12 Ni2 O8 -","2","1","GA3002","Neil F. Curtis; Rebekah Pawley; Ward T. Robinson","<i>trans</i>-Aquachloro[(1<i>R</i>,4<i>R</i>,8<i>S</i>,11<i>S</i>)-6,13-diammonio-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1,4,8,11^]nickel(II) trichloride trihydrate","Acta Crystallographica Section C","2006","62","8","m352","m354","10.1107/S0108270106010407","","","0.71073","MoKα","","0.0167","0.0164","","","0.0392","0.0395","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015481","15.6582","0.0007","10.638","0.0006","11.1041","0.0005","90","","98.238","0.004","90","","1830.55","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy- 4-[(E)-o-tolyldiazenyl]cyclohexa-2,4-dienone","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","GA3007","Ersanlı, Cem Cüneyt; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy-4-[(<i>E</i>)-<i>o</i>-tolyldiazenyl]cyclohexa-2,4-dienone","Acta Crystallographica Section C","2006","62","8","o483","o485","10.1107/S010827010602052X","","","0.71073","MoKα","","0.06","0.035","","","0.082","0.089","","","","","","0.87","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015482","8.8863","0.0004","22.3787","0.001","16.1281","0.0007","90","","106.47","0.001","90","","3075.7","0.2","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu~2~(pht)~2~(im)~2~(H~2~O)].H~2~O","Poly[[aquatetraimidazoledi-μ~2~-phthalato-dicopper(II)] monohydrate]","","- C28 H28 Cu2 N8 O10 -","- C28 H28 Cu2 N8 O10 -","- C112 H112 Cu8 N32 O40 -","4","1","GA3009","Xu-Cheng Fu; Xiao-Yan Wang; Ming-Tian Li; Cheng-Gang Wang; Xiao-Tao Deng","Poly[[aquatetraimidazoledi-μ-phthalato-dicopper(II)] monohydrate]","Acta Crystallographica Section C","2006","62","8","m343","m345","10.1107/S0108270106019068","","","0.71073","MoKα","","0.0529","0.0405","","","0.0919","0.096","","","","","","0.95","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015483","16.858","0.002","7.449","0.002","23.312","0.007","90","","94.39","0.015","90","","2918.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Hydroxyacetophenone 4-phenylthiosemicarbazone","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C120 H120 N24 O8 S8 -","8","1","GA3010","E. B. Seena; E. Manoj; M. R. Prathapachandra Kurup","2-Hydroxyacetophenone 4-phenylthiosemicarbazone","Acta Crystallographica Section C","2006","62","8","o486","o488","10.1107/S0108270106014776","","","0.71073","MoKα","","0.0471","0.0331","","","0.089","0.0947","","","","","","1.062","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015484","7.352","0.002","4.0181","0.0011","13.901","0.004","90","","101.426","0.01","90","","402.51","0.19","290","2","290","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetrathiafulvalene","2-(1,3-dithiol-2-ylidene)-1,3-dithiole","","- C6 H4 S4 -","- C6 H4 S4 -","- C12 H8 S8 -","2","0.5","GA3012","Batsanov, Andrei S.","Tetrathiafulvalene revisited","Acta Crystallographica Section C","2006","62","8","o501","o504","10.1107/S0108270106022554","","","0.71073","MoKα","","0.0346","0.0276","","","0.0603","0.0653","","","","","","1.124","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015485","14.641","0.003","3.933","0.001","13.832","0.003","90","","100.98","0.01","90","","781.9","0.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrathiafulvalene","2-(1,3-dithiol-2-ylidene)-1,3-dithiole","","- C6 H4 S4 -","- C6 H4 S4 -","- C24 H16 S16 -","4","1","GA3012","Batsanov, Andrei S.","Tetrathiafulvalene revisited","Acta Crystallographica Section C","2006","62","8","o501","o504","10.1107/S0108270106022554","","","0.71073","MoKα","","0.0333","0.0247","","","0.0598","0.0664","","","","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015486","14.625","0.003","3.909","0.001","13.812","0.003","90","","100.9","0.01","90","","775.4","0.3","98","2","98","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrathiafulvalene","2,2'-bis(1,3-dithiole), low-temparature (γ) phase","","- C6 H4 S4 -","- C6 H4 S4 -","- C24 H16 S16 -","4","1","GA3012","Batsanov, Andrei S.","Tetrathiafulvalene revisited","Acta Crystallographica Section C","2006","62","8","o501","o504","10.1107/S0108270106022554","","","0.71073","MoKα","","0.0266","0.0217","","","0.0554","0.0595","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015487","43.062","0.009","6.877","0.002","11.979","0.002","90","","101.06","0.02","90","","3481.5","1.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","AZO33","3,3'-[4-(4-nitrophenyldiazenyl)phenylimino]dipropionic acid","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C144 H144 N32 O48 -","8","1","GD3032","Roberto Centore; Antonio Carella; Andrea Pugliese; Augusto Sirigu; Angela Tuzi","Double-helix pattern in a model compound of non-linear optical polymers","Acta Crystallographica Section C","2006","62","8","o531","o533","10.1107/S0108270106025108","","","0.71073","MoKα","","0.1996","0.0699","","","0.1254","0.1676","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015488","3.553","0.0016","9.693","0.004","16.345","0.007","90","","95.748","0.006","90","","560.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanine","2-amino-1,7-dihydro-6H-purin-6-one","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","GD3036","Guille, Kathy; Clegg, William","Anhydrous guanine: a synchrotron study","Acta Crystallographica Section C","2006","62","8","o515","o517","10.1107/S0108270106026011","","","0.6712","synchrotron","","0.0753","0.0587","","","0.1713","0.1831","","","","","","1.147","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015489","11.8539","0.0018","12.2726","0.0018","19.498","0.003","90","","90","","90","","2836.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium 3,5-dinitrobenzoate methanol solvate","","- C31 H34 N4 O11 -","- C31 H34 N4 O11 -","- C124 H136 N16 O44 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0704","0.0528","","","0.0884","0.0941","","","","","","1.078","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015490","7.1733","0.0018","19.1","0.002","21.955","0.002","90","","90","","90","","3008.1","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinim 3,5-dintrobenzoate dimethanol solvate","","- C32 H38 N4 O12 -","- C32 H38 N4 O12 -","- C128 H152 N16 O48 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0547","0.0474","","","0.1193","0.1235","","","","","","1.095","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015491","8.2499","0.0008","12.5379","0.0012","29.109","0.003","90","","90","","90","","3010.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium 3,5-dinitrobenzoate trihydrate","","- C30 H36 N4 O13 -","- C30 H36 N4 O13 -","- C120 H144 N16 O52 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0747","0.0566","","","0.1166","0.1266","","","","","","1.119","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015492","7.2397","0.0004","7.8151","0.0005","10.9548","0.0005","86.68","0.005","80.485","0.004","78.542","0.004","598.9","0.06","173","","173","","","","","","","","","3","P -1","-P 1","2","","1,4-bis(triisopropylsilyl)buta-1,3-diyne","","- C22 H42 Si2 -","- C22 H42 Si2 -","- C22 H42 Si2 -","1","0.5","GG3022","Constable, Edwin C.; Gusmeroli, Deborah; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","1,4-Bis(triisopropylsilyl)buta-1,3-diyne and 1,4-bis(biphenyl-4-yl)buta-1,3-diyne","Acta Crystallographica Section C","2006","62","8","o505","o509","10.1107/S0108270106025157","","","0.71073","MoKα","","0.0856","0.0495","","0.0738","0.0537","0.0537","","","","","","1.0865","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015493","6.6723","0.0002","11.032","0.0003","26.0094","0.0007","90","","91.2833","0.0014","90","","1914.04","0.09","173","","173","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,4-bis(biphenyl-4-yl)buta-1,3-diyne","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","1","GG3022","Constable, Edwin C.; Gusmeroli, Deborah; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","1,4-Bis(triisopropylsilyl)buta-1,3-diyne and 1,4-bis(biphenyl-4-yl)buta-1,3-diyne","Acta Crystallographica Section C","2006","62","8","o505","o509","10.1107/S0108270106025157","","","0.71073","MoKα","","0.0895","0.0398","","0.0576","0.0474","0.0474","","","","","","0.9925","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015494","15.2964","0.0003","17.4366","0.0002","16.832","0.0003","90","","90","","90","","4489.38","0.13","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-diphenylpentane-1,5-dione","","- C27 H23 Cl N2 O2 -","- C27 H23 Cl N2 O2 -","- C216 H184 Cl8 N16 O16 -","8","1","GG3030","Trilleras, Jorge; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-diphenylpentane-1,5-dione: sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","8","o518","o520","10.1107/S0108270106025583","","","0.71073","MoKα","","0.0972","0.0488","","","0.1129","0.1361","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015495","12.8995","0.0006","6.8681","0.0003","26.6419","0.0013","90","","90","","90","","2360.34","0.19","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2005rm01ch01","β-Lapachone","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","1","GZ3007","Cunha-Filho, Marcilio S. S; Landin, Mariana; Martinez-Pacheco, Ramon; Dacunha-Marinho, Bruno","β-Lapachone","Acta Crystallographica Section C","2006","62","8","o473","o475","10.1107/S0108270106021706","","","1.5418","CuKα","","0.0619","0.061","","","0.1691","0.1703","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015496","10.3497","0.0014","10.9934","0.0015","15.751","0.002","95.65","0.006","95.734","0.006","111.408","0.005","1642.4","0.4","294","2","","","","","","","","","","6","P -1","-P 1","2","","Bis(aminodiethylammonium) di-μ~5~-hydrogenphosphato-pentamolybdate(VI) tetrahydrate","","- C8 H40 Mo5 N6 O27 P2 -","- C8 H40 Mo5 N6 O27 P2 -","- C16 H80 Mo10 N12 O54 P4 -","2","1","GZ3012","Feng Geng; Guo-Hua Han; Bi-Zhou Lin","Bis(iminodiethylenediammonium) di-μ~5~-hydrogenphosphato-pentamolybdate(VI) tetrahydrate","Acta Crystallographica Section C","2006","62","8","m355","m357","10.1107/S0108270106023092","","","0.71069","MoKα","","0.0361","0.0346","","","0.0902","0.0917","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015497","17.1216","0.0012","7.3269","0.0005","14.3494","0.001","90","","113.259","0.001","90","","1653.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-methylthio-8-azaxanthine","5-Methylsulfanyl-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(8H)-one monohydrate","","- C5 H7 N5 O2 S -","- C5 H7 N5 O2 S -","- C40 H56 N40 O16 S8 -","8","1","HJ3007","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","5-Methylsulfanyl-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one (2-methylthio-8-azaxanthine) monohydrate","Acta Crystallographica Section C","2006","62","8","o489","o491","10.1107/S0108270106022359","","","0.71073","MoKα","","0.061","0.059","","","0.125","0.126","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015498","8.1427","0.0005","18.3212","0.0014","27.303","0.003","90","","90","","90","","4073.2","0.6","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","di-μ-chloro-bis[chloro(η^6^-p-cymene)ruthenium]‒9H-carbazole (1/2)","","- C44 H46 Cl4 N2 Ru2 -","- C44 H46 Cl4 N2 Ru2 -","- C176 H184 Cl16 N8 Ru8 -","4","0.5","HJ3009","Dinçer, Muharrem; Özdemir, Namık; Dayan, Osman; Çetinkaya, Bekir; Büyükgüngör, Orhan","A μ-chloro-bridged dinuclear ruthenium complex with 9<i>H</i>-carbazole: the formation of one-dimensional linear chains of star-shaped edge-fused rings","Acta Crystallographica Section C","2006","62","8","m346","m348","10.1107/S0108270106020543","","","0.71073","MoKα","","0.0551","0.0314","","","0.0679","0.0725","","","","","","1.01","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015499","9.8232","0.0007","10.3192","0.0007","11.1465","0.0008","76.431","0.005","86.74","0.006","70.527","0.005","1035.25","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Propynylferrocene","","- C13 H12 Fe -","- C13 H12 Fe -","- C52 H48 Fe4 -","4","2","HJ3011","Zora, Metin; Açıkgöz, Canet; Tumay, Tülay Aslı; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Propynylferrocene and (phenylethynyl)ferrocene","Acta Crystallographica Section C","2006","62","8","m327","m330","10.1107/S0108270106022438","","","0.71073","MoKα","","0.0308","0.0267","","","0.0718","0.0739","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015500","8.7368","0.0009","10.6296","0.0015","15.1113","0.0016","90","","105.327","0.008","90","","1353.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Phenylethynyl)ferrocene","","- C18 H14 Fe -","- C18 H14 Fe -","- C72 H56 Fe4 -","4","1","HJ3011","Zora, Metin; Açıkgöz, Canet; Tumay, Tülay Aslı; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Propynylferrocene and (phenylethynyl)ferrocene","Acta Crystallographica Section C","2006","62","8","m327","m330","10.1107/S0108270106022438","","","0.71073","MoKα","","0.0512","0.0291","","","0.0643","0.0694","","","","","","0.911","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015501","9.964","0.002","11.565","0.002","19.882","0.004","90","","90","","90","","2291.1","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-[(R)-1-(2-Hydroxy-5-methylphenyl)-2-phenylethyl]-2-methyl-1- phenylpropylammonium chloride","","- C25 H30 Cl N O -","- C25 H30 Cl N O -","- C100 H120 Cl4 N4 O4 -","4","1","HJ3012","Guang-You Zhang; Wan-Hui Wang; Jin-Yan Zhao; Xiang-Bo Wang","(<i>R</i>)-<i>N</i>-[(<i>R</i>)-1-(2-Hydroxy-5-methylphenyl)-2-phenylethyl]-2-methyl-1-phenylpropylammonium chloride","Acta Crystallographica Section C","2006","62","8","o534","o536","10.1107/S0108270106024802","","","0.71073","MoKα","","0.09","0.0545","","","0.0913","0.1014","","","","","","0.977","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015502","6.428","0.0002","16.085","0.0007","12.15","0.0006","90","","97.49","0.0016","90","","1245.52","0.09","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2,4-Dinitrophenylsulfanyl)morpholine","","- C10 H11 N3 O5 S -","- C10 H11 N3 O5 S -","- C40 H44 N12 O20 S4 -","4","1","HJ3013","Brito, Iván; López-Rodríguez, Matías; Cárdenas, Alejandro; Vargas, Danitza","4-(2,4-Dinitrophenylsulfanyl)morpholine","Acta Crystallographica Section C","2006","62","8","o461","o463","10.1107/S0108270106021524","","","0.71073","MoKα","","","0.0692","","","","0.2058","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015503","8.2448","0.0004","10.1118","0.0005","20.199","0.0009","82.419","0.003","83.897","0.003","68.916","0.002","1554.36","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Tetra-μ~2~-diisopropylamido-di-μ~2~-hydrido-dimagnesium(II)disodium(I)","","- C24 H58 Mg2 N4 Na2 -","- C24 H58 Mg2 N4 Na2 -","- C48 H116 Mg4 N8 Na4 -","2","1","HJ3015","David V. Graham; Alan R. Kennedy; Robert E. Mulvey; Charles T. O'Hara","A polymeric solvent-free variant of a hydridomagnesium inverse crown","Acta Crystallographica Section C","2006","62","8","m366","m368","10.1107/S0108270106025091","","","0.71073","MoKα","","0.1503","0.0654","","","0.1112","0.1396","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015504","14.0426","0.0005","14.0426","0.0005","21.776","0.001","90","","90","","120","","3718.8","0.3","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","lanthanum iron sulfide","lanthanum(III) iron(II) sulfide","","- Fe12 La52 S90 -","- Fe12 La52.0506 S90 -","- Fe12 La52.0506 S90 -","1","0.0277778","IZ1068","Mills, Allison M.; Bräunling, Daniel; Ruck, Michael","Redetermination of the lanthanum iron sulfide La~52~Fe~12~S~90~","Acta Crystallographica, Section C","2006","62","8","i56","i58","10.1107/S0108270106014879","","","0.71073","MoKα","","0.0438","0.0429","","","0.1037","0.1042","","","","","","1.195","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015505","5.6705","0.0004","9.9954","0.0007","17.3234","0.0012","83.137","0.004","81.655","0.004","77.163","0.003","943.31","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Anilinium chloride‒N-phenyl-4-bromobenzenesulfonamide (1/1)","","- C18 H18 Br Cl N2 O2 S -","- C18 H18 Br Cl N2 O2 S -","- C36 H36 Br2 Cl2 N4 O4 S2 -","2","1","JZ3025","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","The anilinium chloride adduct of 4-bromo-<i>N</i>-phenylbenzenesulfonamide","Acta Crystallographica Section C","2006","62","8","o470","o472","10.1107/S0108270106022104","","","0.71073","MoKα","","0.0512","0.0344","","","0.0823","0.0878","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015506","11.327","0.004","21.621","0.007","7.911","0.003","90","","128.941","0.006","90","","1506.9","0.9","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","2,3,4,5,6-Pentanitroaniline 1,2-dichloroethane disolvate","","- C8 H6 Cl2 N6 O10 -","- C8 H6 Cl2 N6 O10 -","- C32 H24 Cl8 N24 O40 -","4","0.5","JZ3030","Rosokha, Sergiy V.; Lu, Jian-Jiang; Dibrov, Sergey M.; Kochi, Jay K.","2,3,4,5,6-Pentanitroaniline 1,2-dichloroethane disolvate: `push‒pull' deformation of aromatic rings by intramolecular charge transfer","Acta Crystallographica Section C","2006","62","8","o464","o466","10.1107/S0108270106020804","","","0.71073","MoKα","","0.0777","0.0527","","","0.1394","0.1478","","","","","","1.093","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015507","6.828","0.002","20.929","0.006","15.357","0.005","90","","92.007","0.005","90","","2193.2","1.1","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","Moxifloxacin hydrochloride","7-[(S,S)-8-azonia-2-azabicylo[4.3.0]non-8-yl]-1-cyclopropyl-6-fluoro-8-methoxy- 4-oxo-1,4-dihydro-3-quinoline-3-carboxylic acid chloride‒water‒methanol (2/1/1)","","- C21.5 H28 Cl F N3 O5 -","- C21.5 H28 Cl F N3 O5 -","- C86 H112 Cl4 F4 N12 O20 -","4","2","LN3009","Krishnan Ravikumar; Balasubramanian Sridhar","Moxifloxacinium chloride‒water‒methanol (2/1/1), a novel antibacterial agent","Acta Crystallographica Section C","2006","62","8","o478","o482","10.1107/S0108270106022256","","","0.71073","MoKα","","0.0832","0.0488","","","0.0905","0.1043","","","","","","0.896","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015508","4.8859","0.0017","11.658","0.004","15.891","0.006","88.39","0.01","84.79","0.01","81.23","0.01","890.8","0.6","174","2","174","2","","","","","","","","5","P -1","-P 1","2","","3,5-dichloro-4-cyanobenzoic acid","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C32 H12 Cl8 N4 O8 -","4","2","LN3011","Britton, Doyle","3,5-Dichloro-4-cyanobenzoic acid: two polymorphs and the 0.25-hydrate, exhibiting two-dimensional ribbons and nets involving hydrogen-bonding and intermolecular Cl···N interactions","Acta Crystallographica Section C","2006","62","8","o510","o514","10.1107/S0108270106023754","","","0.71073","MoKα","","0.071","0.056","","","0.13","0.136","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015509","7.3429","0.0018","10.378","0.003","11.826","0.003","90","","112.22","0.01","90","","834.3","0.4","174","2","174","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-dichloro-4-cyano-benzoic acid","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C32 H12 Cl8 N4 O8 -","4","1","LN3011","Britton, Doyle","3,5-Dichloro-4-cyanobenzoic acid: two polymorphs and the 0.25-hydrate, exhibiting two-dimensional ribbons and nets involving hydrogen-bonding and intermolecular Cl···N interactions","Acta Crystallographica Section C","2006","62","8","o510","o514","10.1107/S0108270106023754","","","0.71073","MoKα","","0.027","0.026","","","0.07","0.075","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015510","11.237","0.003","11.41","0.003","14.566","0.004","90","","112.5","0.01","90","","1725.4","0.8","174","2","174","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,5-dichloro-4-cyanobenzoicacid 0.25-hydrate","","- C8 H3.5 Cl2 N O2.25 -","- C8 H3.5 Cl2 N O2.25 -","- C64 H28 Cl16 N8 O18 -","8","2","LN3011","Britton, Doyle","3,5-Dichloro-4-cyanobenzoic acid: two polymorphs and the 0.25-hydrate, exhibiting two-dimensional ribbons and nets involving hydrogen-bonding and intermolecular Cl···N interactions","Acta Crystallographica Section C","2006","62","8","o510","o514","10.1107/S0108270106023754","","","0.71073","MoKα","","0.036","0.027","","","0.069","0.076","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015511","13.1756","0.0012","4.7279","0.0005","14.84","0.0014","90","","109.927","0.006","90","","869.08","0.15","296.1","","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,6,11,16-Tetraoxacycloeicosane-2,5,12,15-tetraone","","- C16 H24 O8 -","- C16 H24 O8 -","- C32 H48 O16 -","2","0.5","LN3015","Noguchi, Keiichi; Kondo, Hidekazu; Ichikawa, Yasushi; Washiyama, Junichiro; Okuyama, Kenji","1,6,11,16-Tetraoxacycloeicosane-2,5,12,15-tetraone","Acta Crystallographica Section C","2006","62","8","o528","o530","10.1107/S0108270106024188","","","1.5418","CuKα","","0.0328","0.0318","","","0.0869","0.0878","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015512","7.5629","0.0005","15.2199","0.0009","17.6543","0.0011","69.621","0.001","83.145","0.001","77.76","0.001","1859.3","0.2","273","2","273","2","","","","","","","","3","P -1","-P 1","2","5,3'-dihydroxy-3,6,7,4',5'-pentamethoxyflavone","5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6,7-trimethoxy-4H-chromene-4-one","","- C20 H20 O9 -","- C20 H20 O9 -","- C80 H80 O36 -","4","2","OB3008","G. Y. S. K. Swamy; K. Ravikumar; B. Sridhar; I. Mahender; K. V. N. S. Srinivas","Chains of edge-fused hydrogen-bonded <i>R</i>~3~^3^(22) rings in 5,3'-dihydroxy-3,6,7,4',5'-pentamethoxyflavone","Acta Crystallographica Section C","2006","62","8","o495","o497","10.1107/S0108270106023675","","","0.71073","MoKα","","0.069","0.0494","","","0.1194","0.1306","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015513","11.901","0.002","13.855","0.003","21.936","0.004","90","","95.347","0.003","90","","3601.3","1.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","{4,10-Bis[2-(2-oxidobenzylideneamino-κ^2^N,O)benzyl]-1,7-dioxa-4,10- diazacyclododecane-κ^4^N^4^,N^10^,O^1,O^7^}ytterbium(III) perchlorate acetonitrile solvate","","- C38 H41 Cl N5 O8 Yb -","- C38 H41 Cl N5 O8 Yb -","- C152 H164 Cl4 N20 O32 Yb4 -","4","1","OB3011","González-Lorenzo, Marina; De Blas, Andres; Esteban-Gómez, David; Platas-Iglesias, Carlos; Rodríguez-Blas, Teresa","{4,10-Bis[2-(2-oxidobenzylideneamino-κ^2^<i>N</i>,<i>O</i>)benzyl]-1,7-dioxa-4,10-diazacyclododecane-κ^4^<i>O</i>^1^,<i>N</i>^4^,<i>O</i>^3^,<i>N</i>^10^}ytterbium(III) perchlorate acetonitrile solvate","Acta Crystallographica Section C","2006","62","8","m360","m362","10.1107/S0108270106023833","","","0.71073","MoKα","","","0.0201","","","","0.046","","","","","","1.085","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015514","16.112","0.003","10.442","0.002","17.058","0.003","90","","115.67","0.03","90","","2586.6","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(3-aminopyridine-κN)(4,4-dimethyl-2,2'-bipyridine-κ^2^N,N')(perchlorato-κO)copper(II) perchlorate","","- C22 H24 Cl2 Cu N6 O8 -","- C22 H24 Cl2 Cu N6 O8 -","- C88 H96 Cl8 Cu4 N24 O32 -","4","1","SF3007","Qian, Hui-Fen; Huang, Wei","Bis(3-aminopyridine-κ<i>N</i>)(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(perchlorato-κ<i>O</i>)copper(II) perchlorate","Acta Crystallographica Section C","2006","62","8","m349","m351","10.1107/S0108270106021160","","","0.71073","MoKα","","0.0493","0.0453","","","0.1009","0.1025","","","","","","1.13","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015515","7.756","0.0015","10.336","0.002","12.873","0.003","83.802","0.003","75.795","0.003","76.01","0.003","969.5","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","(4-Bromo-2-formylphenolato)perchlorato(1,10-phenanthroline)copper(II)","","- C19 H12 Br Cl Cu N2 O6 -","- C19 H12 Br Cl Cu N2 O6 -","- C38 H24 Br2 Cl2 Cu2 N4 O12 -","2","1","SF3008","Hong-Yan Wu; Yun-Feng Feng; Shu-Rong Wang; Wei-Ping Huang","(4-Bromo-2-formylphenolato)perchlorato(1,10-phenanthroline)copper(II)","Acta Crystallographica Section C","2006","62","8","m358","m359","10.1107/S0108270106022761","","","0.71073","MoKα","","0.0734","0.0491","","","0.1198","0.1384","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015516","12.9","0.005","12.9","0.005","30.33","0.003","90","","90","","90","","5047","3","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","tetrakis(μ-3,5-dinitrobenzoato-κ^2^O:O')bis[(caffeine-κO)copper(II)]","tetrakis(μ-3,5-dinitrobenzoato-κ^2^O:O')bis[(3,7-dihydro-1,3,7- trimethyl-1H-purine-2,6-dione-κO)copper(II)]}","","- C44 H32 Cu2 N16 O28 -","- C44 H32 Cu2 N16 O28 -","- C176 H128 Cu8 N64 O112 -","4","0.25","SF3010","Stachová, Petra; Moncol, Jan; Valigura, Dušan; Lis, Tadeusz","Unusual <i>O</i>-coordination of caffeine in tetrakis(μ-3,5-dinitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(caffeine-κ<i>O</i>)copper(II)]","Acta Crystallographica Section C","2006","62","8","m375","m377","10.1107/S0108270106025467","","","0.71069","MoKα","","0.1408","0.0536","","","0.069","0.0783","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015517","8.9582","0.0006","9.836","0.0006","11.9183","0.0007","79.294","0.001","81.822","0.001","69.526","0.001","963.28","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[bis(dimethylformamide)zinc(II)]-μ~3~-5-hydroxybenzene-1,3-dicarboxylato] toluene solvate]","","- C17.5 H22 N2 O7 Zn -","- C17.5 H22 N2 O7 Zn -","- C35 H44 N4 O14 Zn2 -","2","1","SK3025","Jhon, Young Ho; Kim, Jaheon","Poly[[[bis(<i>N</i>,<i>N</i>'-dimethylformamide)zinc(II)]-μ~3~-5-hydroxybenzene-1,3-dicarboxylato] toluene solvate]","Acta Crystallographica Section C","2006","62","8","m334","m336","10.1107/S0108270106020968","","","0.71073","MoKα","","0.0357","0.0288","","","0.0715","0.0754","","","","","","0.99","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015518","6.971","0.001","17.508","0.001","26.905","0.002","90","","90","","90","","3283.7","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Cl N3 O -","- C18 H16 Cl N3 O -","- C144 H128 Cl8 N24 O8 -","8","1","SK3029","Sun, Yu-Xi; Zhang, Ran; Jin, Qing-Mai; Zhi, Xi-Jing; Lü, Xiao-Ming","4-(4-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and 4-(2-chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section C","2006","62","8","o467","o469","10.1107/S0108270106021512","","","0.71073","MoKα","","0.0637","0.048","","","0.1159","0.1259","","","","","","1.041","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015519","6.848","0.001","13.654","0.002","17.567","0.002","90","","90","","90","","1642.6","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Cl N3 O -","- C18 H16 Cl N3 O -","- C72 H64 Cl4 N12 O4 -","4","1","SK3029","Sun, Yu-Xi; Zhang, Ran; Jin, Qing-Mai; Zhi, Xi-Jing; Lü, Xiao-Ming","4-(4-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and 4-(2-chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section C","2006","62","8","o467","o469","10.1107/S0108270106021512","","","0.71073","MoKα","","0.0481","0.0418","","","0.1029","0.1072","","","","","","1.042","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015520","7.151","0.0006","9.768","0.0007","12.378","0.0008","72.094","0.005","83.529","0.004","85.055","0.004","816.28","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Methoxyphenyl)-7,7-dimethyl-1,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-5-one","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C38 H38 N6 O4 -","2","1","SK3039","Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-(4-Methoxyphenyl)-7,7-dimethyl-1,6,7,8-tetrahydropyrazolo[3,4-<i>b</i>]quinolin-5-one: a chain of centrosymmetric rings built from N—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","8","o525","o527","10.1107/S0108270106025522","","","0.71073","MoKα","","0.1536","0.0743","","","0.1304","0.1599","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015521","9.8216","0.0005","11.3582","0.0007","12.2783","0.0008","70.429","0.003","69.895","0.004","66.454","0.004","1147.66","0.13","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","7-amino-5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine","","- C11 H16 N4 -","- C11 H16 N4 -","- C44 H64 N16 -","4","2","SK3040","Portilla, Jaime; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","A hydrogen-bonded chain of rings in 7-amino-5-<i>tert</i>-butyl-2-methylpyrazolo[1,5-<i>a</i>]pyrimidine, and a hydrogen-bonded framework structure in 3,7-diamino-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidine monohydrate","Acta Crystallographica Section C","2006","62","8","o521","o524","10.1107/S0108270106025893","","","0.71073","MoKα","","0.1159","0.0559","","","0.1228","0.1498","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015522","8.097","0.0002","9.8881","0.0003","11.9661","0.0003","90","","96.23","0.005","90","","952.4","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,7-diamino-2,5-dimethylpyrazolo[1,5-a]pyrimidine monohydrate","","- C8 H13 N5 O -","- C8 H13 N5 O -","- C32 H52 N20 O4 -","4","1","SK3040","Portilla, Jaime; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","A hydrogen-bonded chain of rings in 7-amino-5-<i>tert</i>-butyl-2-methylpyrazolo[1,5-<i>a</i>]pyrimidine, and a hydrogen-bonded framework structure in 3,7-diamino-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidine monohydrate","Acta Crystallographica Section C","2006","62","8","o521","o524","10.1107/S0108270106025893","","","0.71073","MoKα","","0.0686","0.0479","","","0.1346","0.1505","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015523","16.1716","0.0019","8.488","0.001","5.3893","0.0006","90","","107.836","0.002","90","","704.2","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[lithium-μ~3~-ethylenediphosphonato]","","- C2 H7 Li O6 P2 -","- C2 H7 Li O6 P2 -","- C8 H28 Li4 O24 P8 -","4","0.5","SQ3018","Cheng, Ching-Yuan; Lin, Kuan-Jiuh","A lithium ethylenediphosphonate containing lithium chains and symmetric hydrogen bonds","Acta Crystallographica Section C","2006","62","8","m363","m365","10.1107/S0108270106024528","","","0.71073","MoKα","","0.0356","0.0343","","","0.0929","0.0942","","","","","","0.983","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015524","9.4886","0.0012","15.2217","0.0017","17.071","0.002","90","","90","","90","","2465.6","0.5","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2S,4S,S~Fc~)-2-[(Diphenylthiophosphino)ferrocenyl]-4-methoxymethyl-1,3-dioxane","","- C28 H29 Fe O3 P S -","- C28 H29 Fe O3 P S -","- C112 H116 Fe4 O12 P4 S4 -","4","1","SQ3026","Jean-Claude Daran; Eric Manoury; Lucie Routaboul; Frédéric Rivals","(2<i>S</i>,4<i>S</i>,<i>S</i>~Fc~)-2-[2-(Diphenylthiophosphinoyl)ferrocenyl]-4-methoxymethyl-1,3-dioxane","Acta Crystallographica Section C","2006","62","8","m378","m380","10.1107/S0108270106025662","","","0.71073","MoKα","","0.0379","0.0278","","","0.0532","0.0562","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015525","15.3195","0.0005","5.1799","0.0003","24.6053","0.0008","90","","90.784","0.003","90","","1952.33","0.14","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","benzamide‒2,3,4,5,6-pentafluorobenzoic acid (2/1)","","- C21 H15 F5 N2 O4 -","- C21 H15 F5 N2 O4 -","- C84 H60 F20 N8 O16 -","4","1","SQ3027","Wojciech Jankowski; Maria Gdaniec; Tadeusz Połoński","The 2:1 cocrystal of benzamide and pentafluorobenzoic acid","Acta Crystallographica Section C","2006","62","8","o492","o494","10.1107/S0108270106022943","","","0.71073","MoKα","","0.0605","0.0377","","","0.0816","0.0916","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015526","7.6122","0.0009","20.091","0.002","13.8061","0.0016","90","","99.328","0.002","90","","2083.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(pyridinium) (tetrachloro-oxo-pyridine-κN)niobate(V) chloride","","- C15 H17 Cl5 N3 Nb O -","- C15 H17 Cl5 N3 Nb O -","- C60 H68 Cl20 N12 Nb4 O4 -","4","1","SQ3030","Guzei, Ilia A.; Saulys, Dovas A.","A long Nb=O double bond in bis(pyridinium) tetrachlorooxo(pyridine-κ<i>N</i>)niobate(V) chloride","Acta Crystallographica Section C","2006","62","8","m369","m371","10.1107/S0108270106026060","","","0.71073","Mo-Kα","","0.0315","0.0303","","","0.0784","0.0792","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015527","12.4386","0.0008","9.8579","0.0007","12.2872","0.0008","90","","90.604","0.001","90","","1506.55","0.17","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(ethylenediamine)cadmium(II) bis(4-aminonaphthalene-1-sulfonate) dihydrate","","- C24 H40 Cd N6 O10 S2 -","- C24 H40 Cd N6 O10 S2 -","- C48 H80 Cd2 N12 O20 S4 -","2","0.5","AV3025","Ming-Tian Li; Cheng-Gang Wang; Xu-Cheng Fu","Diaquabis(ethylenediamine)cadmium(II) bis(4-aminonaphthalene-1-sulfonate) dihydrate","Acta Crystallographica Section C","2006","62","9","m434","m436","10.1107/S0108270106029854","","","0.71073","MoKα","","0.0411","0.038","","","0.1165","0.1184","","","","","","1.109","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015528","11.915","0.001","42.205","0.005","7.3069","0.0009","90","","90","","90","","3674.4","0.7","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato)(μ~2~-hydroxo)indium(III)]","","- C8 H7 In O6 -","- C8 H7 In O6 -","- C128 H112 In16 O96 -","16","1","AV3026","Yu-Ling Wang; Qing-Yan Liu; Sheng-Liang Zhong","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato)(μ~2~-hydroxo)indium(III)]","Acta Crystallographica Section C","2006","62","9","m395","m397","10.1107/S0108270106026679","","","0.71073","MoKα","","0.0271","0.0255","","","0.0565","0.0575","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015529","7.1193","0.0013","9.3307","0.0016","9.8866","0.0017","110.428","0.002","104.24","0.002","95.622","0.003","584.19","0.18","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Poly[tetra-μ-aqua-hexaaqua-μ~3~-malonato-dinitratodibarium(II)nickel(II)]","","- C6 H24 Ba2 N2 Ni O24 -","- C6 H24 Ba2 N2 Ni O24 -","- C6 H24 Ba2 N2 Ni O24 -","1","0.5","AV3027","Guo, Ming-Lin; Cao, Hong-Xia","Poly[tetra-μ-aqua-hexaaquadi-μ~3~-malonato-dinitratodibarium(II)nickel(II)]","Acta Crystallographica Section C","2006","62","9","m431","m433","10.1107/S0108270106029866","","","0.71073","MoKα","","0.0246","0.0217","","","0.0549","0.0562","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015530","7.9382","0.0001","7.9382","0.0001","7.9382","0.0001","90","","90","","90","","500.226","0.011","173","2","173","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","gamma alumina","","","- Al2.67 O4 -","- Al2.6653 O4 -","- Al21.3224 O32 -","8","0.0416667","BC3006","Ľubomír Smrčok; Vratislav Langer; Jan Křesťan","γ-Alumina: a single-crystal X-ray diffraction study","Acta Crystallographica Section C","2006","62","9","i83","i84","10.1107/S0108270106026850","","","0.71073","MoKα","","0.028","0.0265","","","0.0978","0.1004","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015531","10.727","0.007","5.828","0.003","12.613","0.009","90","","103.24","0.08","90","","767.6","0.9","291","2","291","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Sodium trichloromethanesulfonate monohydrate","","- C H2 Cl3 Na O4 S -","- C H2 Cl3 Na O4 S -","- C4 H8 Cl12 Na4 O16 S4 -","4","1","BC3009","Damian, Emiliana; Eriksson, Lars; Sandström, Magnus","Sodium trichloromethanesulfonate monohydrate","Acta Crystallographica Section C","2006","62","9","m419","m420","10.1107/S0108270106026448","","","0.71073","MoKα","","0.069","0.0476","","","0.1171","0.1266","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015532","9.7577","0.001","5.6319","0.0006","9.5579","0.001","90","","90","","90","","525.25","0.1","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Triaquamanganese sulfite","","- H6 Mn O6 S -","- H6 Mn O6 S -","- H24 Mn4 O24 S4 -","4","0.5","BC3010","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Triaquamanganese sulfite revisited","Acta Crystallographica, Section C","2006","62","9","i79","i82","10.1107/S0108270106028253","","","0.71073","MoKα","","0.0242","0.0238","","","0.0677","0.068","","","","","","1.35","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2015533","9.7577","0.001","5.6319","0.0006","9.5579","0.001","90","","90","","90","","525.25","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Triaquamanganese sulfite","","- H6 Mn O6 S -","- H6 Mn O6 S -","- H24 Mn4 O24 S4 -","4","1","BC3010","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Triaquamanganese sulfite revisited","Acta Crystallographica, Section C","2006","62","9","i79","i82","10.1107/S0108270106028253","","","0.71073","MoKα","","0.0207","0.0199","","","0.0516","0.052","","","","","","0.967","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2015534","11.452","0.0002","22.39","0.0004","12.871","0.0002","90","","91.661","0.001","90","","3298.87","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[1,3-bis(diphenylphosphino)ethane-κ^2^P,P'](pyridine-2-sulfinato- κ^2^N,S)(pyridine-2-thiolato-κ^2^N,S)ruthenium(II)","","- C36 H32 N2 O0.66 P2 Ru S2 -","- C36 H32 N2 O0.66 P2 Ru S2 -","- C144 H128 N8 O2.64 P8 Ru4 S8 -","4","1","BG3001","Von Poelhsitz, G.; Rodrigues, B. L.; Batista, A. A.","Partially oxidized ruthenium phosphine thiolates: [Ru(pySO~2~)~0.33~(pyS)~1.67~(dppe)] and [Ru(pySO~2~)~0.355~(pyS)~1.645~(dppp)]","Acta Crystallographica Section C","2006","62","9","m424","m427","10.1107/S0108270106027491","","","0.7107","MoKα","","0.069","0.0419","","","0.1002","0.1125","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015535","8.818","0.005","10.245","0.004","20.136","0.003","83.16","0.02","81.36","0.03","70.12","0.04","1686.7","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[1,3-bis(diphenylphosphino)propane-κ^2^P,P'](pyridine-2-sulfinato- κ^2^N,S)(pyridine-2-thiolato-κ^2^N,S)ruthenium(II)","","- C37 H34 N2 O0.71 P2 Ru S2 -","- C37 H34 N2 O0.714 P2 Ru S2 -","- C74 H68 N4 O1.428 P4 Ru2 S4 -","2","1","BG3001","Von Poelhsitz, G.; Rodrigues, B. L.; Batista, A. A.","Partially oxidized ruthenium phosphine thiolates: [Ru(pySO~2~)~0.33~(pyS)~1.67~(dppe)] and [Ru(pySO~2~)~0.355~(pyS)~1.645~(dppp)]","Acta Crystallographica Section C","2006","62","9","m424","m427","10.1107/S0108270106027491","","","1.54184","CuKα","","0.0423","0.0314","","","0.0846","0.0906","","","","","","1.011","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2015536","17.2481","0.001","20.6393","0.0012","11.5549","0.0006","90","","101.167","0.001","90","","4035.5","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[(1,10-phenanthroline)lead(II)]-μ-nitrato-μ-benzoato- [(1,10-phenanthroline)lead(II)]-di-μ-benzoato]","","- C45 H31 N5 O9 Pb2 -","- C45 H31 N5 O9 Pb2 -","- C180 H124 N20 O36 Pb8 -","4","1","BG3015","Zhu, Long-Guan","A one-dimensional mixed-anion lead(II) coordination polymer: <i>catena</i>-poly[[(1,10-phenanthroline)lead(II)]-μ-benzoato-μ-nitrato-[(1,10-phenanthroline)lead(II)]-di-μ-benzoato]","Acta Crystallographica Section C","2006","62","9","m428","m430","10.1107/S0108270106030198","","","0.71073","MoKα","","0.0607","0.037","","","0.0832","0.093","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015537","6.101","0.0003","7.6447","0.0004","8.4463","0.0005","66.239","0.003","70.516","0.003","67.479","0.003","325.48","0.03","300","2","300","2","","","","","","","","5","P -1","-P 1","2","thiourea:dimethyloxalate (2:1)","thiourea:dimethyloxalate (2:1)","","- C6 H14 N4 O4 S2 -","- C6 H14 N4 O4 S2 -","- C6 H14 N4 O4 S2 -","1","0.5","BM3008","R. Chitra; Pascal Roussel; R. R. Choudhury","Host‒guest interaction in a thiourea‒dimethyl oxalate (2/1) complex at 300 and 100K","Acta Crystallographica Section C","2006","62","9","o547","o549","10.1107/S0108270106026084","","","0.71073","MoKα","","0.0667","0.0407","","","0.0984","0.1129","","","","","","1.019","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015538","6.03","0.001","7.511","0.002","8.414","0.002","65.613","0.004","70.475","0.003","66.168","0.003","311.01","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","thiourea:dimethyl oxalate (2:1)","thiourea:dimethyl oxalate (2:1)","","- C6 H14 N4 O4 S2 -","- C6 H14 N4 O4 S2 -","- C6 H14 N4 O4 S2 -","1","0.5","BM3008","R. Chitra; Pascal Roussel; R. R. Choudhury","Host‒guest interaction in a thiourea‒dimethyl oxalate (2/1) complex at 300 and 100K","Acta Crystallographica Section C","2006","62","9","o547","o549","10.1107/S0108270106026084","","","0.71073","MoKα","","0.0486","0.0399","","","0.0985","0.1029","","","","","","1.111","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015539","6.6044","0.0011","9.2107","0.0015","13.95","0.002","90","","101.217","0.003","90","","832.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[1-(3-pyridyl)butane-1,3-dionato]copper(II)","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C36 H32 Cu2 N4 O8 -","2","0.5","DN3015","Domasevitch, Konstantin V.; Vreshch, Volodimir D.; Lysenko, Andrey B.; Krautscheid, Harald","Two-dimensional square-grid frameworks formed by self-associating copper(II) complexes with 1-(3-pyridyl)- and 1-(4-pyridyl)-substituted butane-1,3-diones","Acta Crystallographica Section C","2006","62","9","m443","m447","10.1107/S0108270106025339","","","0.71073","MoKα","","0.0385","0.0293","","","0.0707","0.0734","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015540","11.3492","0.0012","14.1993","0.0013","12.1291","0.0012","90","","96.41","0.003","90","","1942.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[1-(4-pyridyl)butane-1,3-dionato]copper(II) methanol solvate","","- C19 H20 Cu N2 O5 -","- C19 H20 Cu N2 O5 -","- C76 H80 Cu4 N8 O20 -","4","1","DN3015","Domasevitch, Konstantin V.; Vreshch, Volodimir D.; Lysenko, Andrey B.; Krautscheid, Harald","Two-dimensional square-grid frameworks formed by self-associating copper(II) complexes with 1-(3-pyridyl)- and 1-(4-pyridyl)-substituted butane-1,3-diones","Acta Crystallographica Section C","2006","62","9","m443","m447","10.1107/S0108270106025339","","","0.71073","MoKα","","0.0507","0.0316","","","0.0882","0.0928","","","","","","0.897","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015541","9.827","0.002","4.9326","0.001","16.795","0.004","90","","93.91","0.004","90","","812.2","0.3","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Poly[[diaquacadmium(II)]-μ~4~-N-(phosphonatomethyl)glycinato]","","- C3 H10 Cd N O7 P -","- C3 H10 Cd N O7 P -","- C12 H40 Cd4 N4 O28 P4 -","4","1","DN3020","Deng, Qian-Jun; Zeng, Ming-Hua; Liang, Hong; Huang, Ke-Long","Poly[[diaquacadmium(II)]-μ~4~-[<i>N</i>-(phosphonatomethyl)ammonio]acetato]","Acta Crystallographica Section C","2006","62","9","m389","m391","10.1107/S0108270106025625","","","0.7107","MoKα","","0.015","0.0148","","","0.0353","0.0353","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015542","10.909","0.004","5.352","0.003","12.474","0.005","90","","109.142","0.005","90","","688","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolinium picrate","L-prolinium picrate","","- C11 H12 N4 O9 -","- C11 H12 N4 O9 -","- C22 H24 N8 O18 -","2","1","DN3021","K. Anitha; S. Athimoolam; S. Natarajan","<small>L</small>-Prolinium picrate and 2-methylpyridinium picrate","Acta Crystallographica Section C","2006","62","9","o567","o570","10.1107/S0108270106029209","","","0.71069","MoKα","","0.0843","0.0577","","","0.1514","0.1689","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015543","8.211","0.003","11.806","0.004","14.388","0.004","85.428","0.005","82.863","0.005","79.726","0.004","1359.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-methylpyridinium picrate","2-methylpyridinium picrate","","- C12 H10 N4 O7 -","- C12 H10 N4 O7 -","- C48 H40 N16 O28 -","4","2","DN3021","K. Anitha; S. Athimoolam; S. Natarajan","<small>L</small>-Prolinium picrate and 2-methylpyridinium picrate","Acta Crystallographica Section C","2006","62","9","o567","o570","10.1107/S0108270106029209","","","0.71069","MoKα","","0.0727","0.0424","","","0.109","0.1238","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015544","13.3968","0.0005","5.0656","0.0002","14.3402","0.0005","90","","108.027","0.001","90","","925.39","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Anilinomethylene-3-oxobutanenitrile","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","DN3022","Vratislav Langer; Eva Scholtzová; Pavel Mach; Tomáš Solčan; Ľubomír Smrčok","2-Anilinomethylene-3-oxobutanenitrile: an X-ray and density functional theory study","Acta Crystallographica Section C","2006","62","9","o544","o546","10.1107/S0108270106025571","","","0.71073","MoKα","","0.0901","0.0492","","","0.1055","0.1243","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015545","9.994","0.002","5.202","0.001","13.798","0.003","90","","118.28","0.03","90","","631.7","0.3","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium bis[iodato(V)]dioxovanadate","","- I2 Li O8 V -","- I2 Li O8 V -","- I8 Li4 O32 V4 -","4","1","EM3001","Chen, Xue-An; Zhang, Li; Chang, Xin-An; Zang, He-Gui; Xiao, Wei-Qiang","Lithium dioxobis[trioxoiodato(V)]vanadate, Li[VO~2~(IO~3~)~2~]","Acta Crystallographica Section C","2006","62","9","i76","i78","10.1107/S0108270106027193","","","0.71073","MoKα","","0.0369","0.036","","","0.1012","0.1016","","","","","","1.254","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015546","14.784","0.002","13.402","0.003","21.084","0.004","90","","104.88","0.01","90","","4037.4","1.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2,5-Bis[3-(tert-butylaminoxyl)phenyl]-1,1-dimethyl-3,4- diphenylsilole-\κO}bis(1,1,1,5,5,5-hexafluoropentane-2,4- dionato)manganese(II)","","- C86 H86 F12 Mn N4 O8 Si2 -","- C86 H86 F12 Mn N4 O8 Si2 -","- C172 H172 F24 Mn2 N8 O16 Si4 -","2","0.5","FA3007","Roques, Nans; Gerbier, Philippe; Imaz, Inhar; Guionneau, Philippe; Sutter, Jean-Pascal","{2,5-Bis[3-(<i>tert</i>-butylaminoxyl)phenyl]-1,1-dimethyl-3,4-diphenylsilole-κ<i>O</i>}bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)manganese(II)","Acta Crystallographica Section C","2006","62","9","m386","m388","10.1107/S0108270106020191","","","0.71069","MoKα","","0.1167","0.0555","","","0.131","0.1529","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015547","12.357","0.0009","10.3185","0.0007","31.305","0.002","90","","93.876","0.001","90","","3982.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(1,9-diethyladeninium) triiodide diiodide","","- C27 H42 I5 N15 -","- C27 H42 I5 N15 -","- C108 H168 I20 N60 -","4","1","FA3022","Day, Elizabeth F.; Dean, Norman S.; Franz, Andreas H.","Tris(1,9-diethyladeninium) triiodide diiodide","Acta Crystallographica Section C","2006","62","9","o571","o573","10.1107/S0108270106029532","","","0.71073","MoKα","","0.035","0.0288","","","0.0593","0.0615","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015548","8.3005","0.0009","9.6401","0.0011","10.04","0.0011","66.154","0.002","79.666","0.002","79.88","0.002","718.11","0.14","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","9-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","- C18 H18 F N O -","- C18 H18 F N O -","- C36 H36 F2 N2 O2 -","2","1","FG3027","K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy","Imino Diels‒Alder adducts. XII. Two pyrano[3,2-<i>c</i>]quinolines","Acta Crystallographica Section C","2006","62","9","o574","o576","10.1107/S0108270106029465","","","0.71073","MoKα","","0.0422","0.0391","","","0.11","0.113","","","","","","1.083","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015549","8.2596","0.0007","10.0084","0.0009","10.1134","0.0009","66.435","0.001","81.927","0.002","77.141","0.001","745.85","0.11","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","- C19 H21 N O -","- C19 H21 N O -","- C38 H42 N2 O2 -","2","1","FG3027","K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy","Imino Diels‒Alder adducts. XII. Two pyrano[3,2-<i>c</i>]quinolines","Acta Crystallographica Section C","2006","62","9","o574","o576","10.1107/S0108270106029465","","","0.71073","MoKα","","0.0483","0.0434","","","0.1088","0.1122","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015550","10.049","0.004","12.752","0.006","13.479","0.006","98.641","0.006","90.781","0.006","99.424","0.006","1683.3","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","bis(benzonitrile)tetrakis[μ-<i>p</i>-(diethylamino)benzoato- κ^2^O,O']dirhodium(II)(Rh—Rh) benzonitrile disolvate","","- C72 H76 N8 O8 Rh2 -","- C72 H76 N8 O8 Rh2 -","- C72 H76 N8 O8 Rh2 -","1","0.5","FG3029","Ebihara, Masahiro; Yamada, Kaori; Kawamura, Takashi","Paddlewheel dirhodium complexes bridged by <i>para</i>-substituted benzoates","Acta Crystallographica Section C","2006","62","9","m451","m454","10.1107/S0108270106030320","","","0.7107","MoKα","","0.0883","0.055","","","0.095","0.1035","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015551","12.75","0.006","13.29","0.004","14.773","0.005","96.55","0.03","109.42","0.01","118.43","0.01","1961","1.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","(methanol)tetrakis(μ-<i>p</i>-nitrobenzoato- κ^2^O,O')(pyridine)dirhodium(II)(Rh—Rh) dichloromethane solvate, [Rh~2~(C~7~H~4~NO~4~)~4~(C~2~H~4~O)(C~5~H~5~N)].CH~2~Cl~2~","","- C35 H27 Cl2 N5 O17 Rh2 -","- C35 H27 Cl2 N5 O17 Rh2 -","- C70 H54 Cl4 N10 O34 Rh4 -","2","1","FG3029","Ebihara, Masahiro; Yamada, Kaori; Kawamura, Takashi","Paddlewheel dirhodium complexes bridged by <i>para</i>-substituted benzoates","Acta Crystallographica Section C","2006","62","9","m451","m454","10.1107/S0108270106030320","","","0.7107","MoKα","","0.0701","0.047","","","0.1072","0.1164","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015552","12.5046","0.0005","8.1964","0.0003","18.3119","0.0007","90","","96.48","0.001","90","","1864.85","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Bis[3,5-bis(trifluoromethyl)-1H-pyrazole- κN^2^]dichloropalladium(II) monohydrate","","- C10 H6 Cl2 F12 N4 O Pd -","- C10 H6 Cl2 F12 N4 O Pd -","- C40 H24 Cl8 F48 N16 O4 Pd4 -","4","1","GA3015","Spencer, Lara C.; Guzei, Ilia A.; Ojwach, Stephen O.; Darkwa, James","<i>trans</i>-Bis[3,5-bis(trifluoromethyl)-1<i>H</i>-pyrazole-κ<i>N</i>^2^]dichloropalladium(II) monohydrate","Acta Crystallographica Section C","2006","62","9","m421","m423","10.1107/S0108270106025030","","","0.71073","Mo-Kα","","0.0219","0.0203","","","0.0527","0.0538","","","","","","1.022","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015553","34.7194","0.0009","6.0462","0.0001","10.0042","0.0003","90","","93.975","0.001","90","","2095.03","0.09","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N,N'-Bis(2-methoxyphenyl)naphthalene-1,4-dicarboxamide","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","GA3018","Lin-Hai Jing; Da-Bin Qin; Shao-Jin Gu; Huan-Xia Zhang; Gang Lei","<i>N</i>,<i>N</i>'-Bis(2-methoxyphenyl)naphthalene-1,4-dicarboxamide","Acta Crystallographica Section C","2006","62","9","o561","o562","10.1107/S0108270106026928","","","0.71073","MoKα","","0.0294","0.0291","","","0.0796","0.0799","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015554","10.557","0.004","7.682","0.002","14.376","0.008","90","","98.47","0.04","90","","1153.2","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","strychninium 4-chlorobenzoate","","- C28 H27 Cl N2 O4 -","- C28 H27 Cl N2 O4 -","- C56 H54 Cl2 N4 O8 -","2","1","GD3030","Agata Białońska; Zbigniew Ciunik","Isomorphous crystals of strychninium 4-chlorobenzoate and strychninium 4-nitrobenzoate","Acta Crystallographica Section C","2006","62","9","o537","o539","10.1107/S0108270106024711","","","0.71073","MoKα","","0.0533","0.0397","","","0.0813","0.0841","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015555","10.976","0.002","7.545","0.001","14.187","0.002","90","","98.29","0.03","90","","1162.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","strychninium 4-nitrobenzoate","","- C28 H27 N3 O6 -","- C28 H27 N3 O6 -","- C56 H54 N6 O12 -","2","1","GD3030","Agata Białońska; Zbigniew Ciunik","Isomorphous crystals of strychninium 4-chlorobenzoate and strychninium 4-nitrobenzoate","Acta Crystallographica Section C","2006","62","9","o537","o539","10.1107/S0108270106024711","","","0.71073","MoKα","","0.0322","0.0305","","","0.0778","0.0788","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015556","4.9345","0.0003","22.9848","0.0013","8.3987","0.0005","90","","104.623","0.001","90","","921.71","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Propane-1,3-diyldiammonium tetra-μ-selenito-trizinc dihydrate","","- C3 H16 N2 O14 Se4 Zn3 -","- C3 H16 N2 O14 Se4 Zn3 -","- C6 H32 N4 O28 Se8 Zn6 -","2","0.5","GD3033","Ritchie, Lyndsey K.; Harrison, William T. A.","Poly[propane-1,3-diyldiammonium tetra-μ-selenito-trizinc dihydrate]","Acta Crystallographica Section C","2006","62","9","m413","m415","10.1107/S010827010602508X","","","0.71073","MoKα","","0.0516","0.0325","","","0.0606","0.0644","","","","","","0.928","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015557","9.768","0.002","10.804","0.002","16.244","0.003","91.39","0.03","97.05","0.03","99.22","0.03","1677.7","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","(Z)-1-Ferrocenyl-3-(3-hydroxyanilino)but-2-en-1-one","","- C20 H19 Fe N O2 -","- C20 H19 Fe N O2 -","- C80 H76 Fe4 N4 O8 -","4","2","GD3037","Yao-Cheng Shi; Su-Hua Zhang; Hong-Jian Cheng; Wei-Ping Sun","(<i>Z</i>)-1-Ferrocenyl-3-(3-hydroxyanilino)but-2-en-1-one and (<i>Z</i>)-1-ferrocenyl-3-(4-hydroxyanilino)but-2-en-1-one","Acta Crystallographica Section C","2006","62","9","m407","m410","10.1107/S0108270106027314","","","0.71073","MoKα","","0.1228","0.0592","","","0.104","0.1255","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015558","7.41","0.0011","14.687","0.002","15.5601","0.0019","80.37","0.007","77.677","0.007","86.297","0.008","1630.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","(Z)-1-Ferrocenyl-3-(4-hydroxyanilino)but-2-en-1-one","","- C20 H19 Fe N O2 -","- C20 H19 Fe N O2 -","- C80 H76 Fe4 N4 O8 -","4","2","GD3037","Yao-Cheng Shi; Su-Hua Zhang; Hong-Jian Cheng; Wei-Ping Sun","(<i>Z</i>)-1-Ferrocenyl-3-(3-hydroxyanilino)but-2-en-1-one and (<i>Z</i>)-1-ferrocenyl-3-(4-hydroxyanilino)but-2-en-1-one","Acta Crystallographica Section C","2006","62","9","m407","m410","10.1107/S0108270106027314","","","0.7107","MoKα","","0.0651","0.0479","","","0.0972","0.1054","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015559","10.9077","0.0008","9.961","0.0006","13.2994","0.0008","90","","107.223","0.003","90","","1380.21","0.16","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(trifluoromethanesulfonato-κO)silver(I)]-μ-di-2- pyridylamine-κ^2^N^2^:N^2'^]","","- C11 H9 Ag F3 N3 O3 S -","- C11 H9 Ag F3 N3 O3 S -","- C44 H36 Ag4 F12 N12 O12 S4 -","4","1","GD3040","Jones, Peter G.; Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio","<i>catena</i>-Poly[[(trifluoromethanesulfonato-κ<i>O</i>)silver(I)]-μ-di-2-pyridylamine-κ^2^<i>N</i>^2^:<i>N</i>^2'^], a chain polymer with short Ag···C contacts","Acta Crystallographica Section C","2006","62","9","m411","m412","10.1107/S0108270106028009","","","0.71073","MoKα","","0.032","0.0241","","","0.0554","0.0577","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015560","24.4575","0.0004","12.7827","0.0001","14.5598","0.0004","90","","126.323","0.001","90","","3667.4","0.13","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","diaqua(diethyl ether)[2,6-bis(3-tert-butylpyrazol-1-yl)pyridine]iron(II) bis(tetrafluoroborate) diethyl ether disolvate","","- C28 H47 B2 F8 Fe N5 O5 -","- C28 H47 B2 F8 Fe N5 O5 -","- C112 H188 B8 F32 Fe4 N20 O20 -","4","0.5","GG3033","Colin A. Kilner; Malcolm A. Halcrow","An unusual example of a linearly coordinated acetone ligand in a six-coordinate iron(II) complex","Acta Crystallographica Section C","2006","62","9","m437","m439","10.1107/S0108270106028903","","","0.71073","MoKα","","0.0508","0.0459","","","0.1202","0.1245","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015561","9.7924","0.0002","14.8921","0.0002","10.0937","0.0002","90","","113.392","0.002","90","","1350.98","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzyl-3-(2-bromophenyl)propiononitrile","","- C16 H14 Br N -","- C16 H14 Br N -","- C64 H56 Br4 N4 -","4","1","GG3038","Calderón, Guillermo; Jaramillo-Gómez, Luz Marina; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in racemic 2-benzyl-3-(2-bromophenyl)propiononitrile and hydrogen-bonded sheets in methyl 2-benzyl-2-cyano-3-phenylpropionate","Acta Crystallographica Section C","2006","62","9","o583","o586","10.1107/S0108270106032689","","","0.71073","MoKα","","0.0387","0.0272","","","0.0587","0.0621","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015562","9.2","0.0003","9.328","0.0002","18.3031","0.0005","90","","90","","90","","1570.73","0.07","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-benzyl-2-cyano-3-phenylpropionate","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","GG3038","Calderón, Guillermo; Jaramillo-Gómez, Luz Marina; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in racemic 2-benzyl-3-(2-bromophenyl)propiononitrile and hydrogen-bonded sheets in methyl 2-benzyl-2-cyano-3-phenylpropionate","Acta Crystallographica Section C","2006","62","9","o583","o586","10.1107/S0108270106032689","","","0.71073","MoKα","","0.0368","0.0307","","","0.0729","0.0759","","","","","","1.14","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015563","7.166","0.003","15.365","0.005","15.818","0.005","90","","90","","90","","1741.7","1.1","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","strontium hydrogen l-malate hexahydrate","Strontium bis(hydrogen L-malate) hexahydrate","","- C8 H22 O16 Sr -","- C8 H22 O16 Sr -","- C32 H88 O64 Sr4 -","4","1","GZ3024","Matos Gomes, E.; Rodrigues, V. H.; Costa, M.M.R.R.; Nogueira, E.; Belsley, M. S.","Supramolecular structure and second harmonic generation in strontium bis(hydrogen <small>L</small>-malate) hexahydrate","Acta Crystallographica Section C","2006","62","9","m416","m418","10.1107/S0108270106028046","","","0.71073","MoKα","","0.0435","0.0212","","","0.0505","0.0546","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015564","8.922","0.002","15.208","0.003","18.692","0.004","90","","91.523","0.003","90","","2535.3","0.9","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","pog","benzyl N-{2-[N-(tert-butoxycarbonyl)prolyl]-4-hydroxyprolyl}glycinate","","- C24 H33 N3 O7 -","- C24 H33 N3 O7 -","- C96 H132 N12 O28 -","4","2","GZ3025","Mitsunobu Doi; Kumiko Imori; Noriko Sakaguchi; Akiko Asano","Boc‒Pro‒Hyp‒Gly‒OBzl and Boc‒Ala‒Hyp‒Gly‒OBzl, two repeating triplets found in collagen","Acta Crystallographica Section C","2006","62","9","o577","o580","10.1107/S0108270106028101","","","0.71073","MoKα","","0.0704","0.0564","","","0.1497","0.1621","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015565","5.8816","0.0003","10.6294","0.0006","19.707","0.001","75.24","0.001","82.56","0.001","81.78","0.001","1173.56","0.11","200","2","200","2","","","","","","","","4","P 1","P 1","1","aog","benzyl N-{2-[N-(tert-butoxycarbonyl)alanyl]-4-hydroxyprolyl}glycinate","","- C22 H31 N3 O7 -","- C22 H31 N3 O7 -","- C44 H62 N6 O14 -","2","2","GZ3025","Mitsunobu Doi; Kumiko Imori; Noriko Sakaguchi; Akiko Asano","Boc‒Pro‒Hyp‒Gly‒OBzl and Boc‒Ala‒Hyp‒Gly‒OBzl, two repeating triplets found in collagen","Acta Crystallographica Section C","2006","62","9","o577","o580","10.1107/S0108270106028101","","","0.71073","MoKα","","0.0384","0.0379","","","0.0989","0.0996","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015566","10.7385","0.0006","9.1792","0.0007","12.5005","0.0008","90","","104.892","0.005","90","","1190.8","0.14","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(acesulfamato-κ^2^O,N)bis(3-methylpyridine)copper(II)","Bis[6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide(1-)-κ^2^N^3^,O^4^]bis(3-methylpyridine)copper(II)","","- C20 H22 Cu N4 O8 S2 -","- C20 H22 Cu N4 O8 S2 -","- C40 H44 Cu2 N8 O16 S4 -","2","0.5","GZ3026","Dege, Necmi; İçbudak, Hasan; Adıyaman, Elif","Bis(acesulfamato-κ^2^<i>O</i>^4^,<i>N</i>)bis(3-methylpyridine)copper(II)","Acta Crystallographica Section C","2006","62","9","m401","m403","10.1107/S0108270106027880","","","0.71073","MoKα","","0.0557","0.0475","","","0.1137","0.1189","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015567","10.146","0.0002","7.3091","0.0002","25.1662","0.0007","90","","90","","90","","1866.28","0.08","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-dimethyamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","HJ3016","Hamdellou, Lamine; Hernandez, Olivier; Meinnel, Jean","4-Dimethylamino-β-nitrostyrene and 4-dimethylamino-β-ethyl-β-nitrostyrene at 100 K","Acta Crystallographica Section C","2006","62","9","o557","o560","10.1107/S0108270106025819","","","0.71073","MoKα","","0.0478","0.033","","0.0467","","0.0371","","","","","","1.1689","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015568","5.9641","0.0001","8.4492","0.0001","23.14","0.0004","90","","90","","90","","1166.07","0.03","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-dimethyamino-β-ethyl-β-nitrostyrene","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","HJ3016","Hamdellou, Lamine; Hernandez, Olivier; Meinnel, Jean","4-Dimethylamino-β-nitrostyrene and 4-dimethylamino-β-ethyl-β-nitrostyrene at 100 K","Acta Crystallographica Section C","2006","62","9","o557","o560","10.1107/S0108270106025819","","","0.71073","MoKα","","0.1289","0.0377","","0.0768","","0.039","","","","","","1.1373","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015569","7.5232","0.0012","11.7458","0.0018","19.475","0.003","90","","98.671","0.003","90","","1701.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[triaquasulfatocobalt(II)]-μ-4,4'-bipyridine] 1,2-ethanediol solvate]","","- C12 H20 Co N2 O9 S -","- C12 H20 Co N2 O9 S -","- C48 H80 Co4 N8 O36 S4 -","4","1","HJ3018","Wen-Jie Lu; Yi-Min Zhu; Kai-Long Zhong","<i>catena</i>-Poly[[[triaquasulfatocobalt(II)]-μ-4,4'-bipyridine] ethane-1,2-diol solvate]","Acta Crystallographica Section C","2006","62","9","m448","m450","10.1107/S0108270106031520","","","0.71073","MoKα","","0.0416","0.0322","","","0.0762","0.0829","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015570","12.531","0.003","12.531","0.003","12.721","0.004","90","","90","","120","","1729.9","0.8","293","2","293","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","meta-barium borate","","- B6 Ba3 O12 -","- B6 Ba3 O12 -","- B36 Ba18 O72 -","6","0.333333","IZ3008","Shao-Fang Lu; Zi-Xiang Huang; Jin-Ling Huang","Meta-barium borate, II-BaB~2~O~4~, at 163 and 293K","Acta Crystallographica Section C","2006","62","9","i73","i75","10.1107/S010827010602542X","","","0.71073","MoKα","","0.0127","0.0125","","","0.0301","0.0302","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015571","12.53","0.003","12.53","0.003","12.657","0.004","90","","90","","120","","1720.9","0.8","163","2","163","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","meta-barium borate","","- B6 Ba3 O12 -","- B6 Ba3 O12 -","- B36 Ba18 O72 -","6","0.333333","IZ3008","Shao-Fang Lu; Zi-Xiang Huang; Jin-Ling Huang","Meta-barium borate, II-BaB~2~O~4~, at 163 and 293K","Acta Crystallographica Section C","2006","62","9","i73","i75","10.1107/S010827010602542X","","","0.71073","MoKα","","0.0115","0.0114","","","0.0271","0.0271","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015572","20.337","0.002","17.7445","0.0018","12.7349","0.0013","90","","124.35","0.002","90","","3794.2","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(4,7-diphenyl-1,10-phenanthroline)dinitratocopper(II)","","- C48 H32 Cu N6 O6 -","- C48 H32 Cu N6 O6 -","- C192 H128 Cu4 N24 O24 -","4","0.5","MY3006","Yanko Moreno; Patricio Hermosilla; María Teresa Garland; Octavio Peña; Ricardo Baggio","An unusual eight-coordinated copper complex: bis(4,7-diphenyl-1,10-phenanthroline)dinitratocopper(II)","Acta Crystallographica Section C","2006","62","9","m404","m406","10.1107/S0108270106021809","","","0.71073","MoKα","","0.1125","0.0656","","","0.1231","0.1399","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015573","7.572","0.004","9.337","0.005","14.027","0.008","80.546","0.01","86.71","0.012","81.598","0.01","967.2","0.9","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine- 3-carbonitrile","","- C24 H14 F2 N2 O2 -","- C24 H14 F2 N2 O2 -","- C48 H28 F4 N4 O4 -","2","1","OB3010","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; T. N. Guru Row","4-(4-Fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile and the 6-(4-methylphenyl)- analogue","Acta Crystallographica Section C","2006","62","9","o540","o543","10.1107/S010827010602378X","","","0.71073","MoKα","","0.196","0.0742","","","0.0951","0.1211","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015574","7.828","0.005","9.523","0.007","13.952","0.01","76.46","0.013","87.25","0.014","83.705","0.015","1004.8","1.2","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1,2-dihydropyridine- 3-carbonitrile","","- C25 H17 F N2 O2 -","- C25 H17 F N2 O2 -","- C50 H34 F2 N4 O4 -","2","1","OB3010","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; T. N. Guru Row","4-(4-Fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile and the 6-(4-methylphenyl)- analogue","Acta Crystallographica Section C","2006","62","9","o540","o543","10.1107/S010827010602378X","","","0.71073","MoKα","","0.1912","0.0955","","","0.136","0.1587","","","","","","1.142","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015575","6.799","0.002","15.834","0.005","16.441","0.005","90","","90","","90","","1770","0.9","293","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(2,2'-bipyridine-κ^2^N,N')cadmium(II)]-μ-4- carboxylatophenoxyacetato-κ^3^O,O':O'']","","- C19 H16 Cd N2 O6 -","- C19 H16 Cd N2 O6 -","- C76 H64 Cd4 N8 O24 -","4","1","OB3012","Yang, Yan; Zeng, Ming-Hua; Meng, Fa-Yan; Liang, Hong","<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-4-carboxylatophenoxyacetato-κ^3^<i>O</i>:<i>O</i>^4^,<i>O</i>^4'^]","Acta Crystallographica Section C","2006","62","9","m392","m394","10.1107/S0108270106026783","","","0.71073","MoKα","","0.0343","0.0261","","","0.0477","0.0502","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015576","12.4071","0.0016","7.9834","0.001","21.376","0.003","90","","98.041","0.002","90","","2096.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N-(2-Aminobenzyl)-N,N-bis(quinolin-2-ylmethyl)amine","","- C27 H24 N4 -","- C27 H24 N4 -","- C108 H96 N16 -","4","1","SF3012","Abhijit Mitra; Pamela J. Seaton; Kraig A. Wheeler","<i>N</i>-(2-Aminobenzyl)-<i>N</i>,<i>N</i>-bis(quinolin-2-ylmethyl)amine","Acta Crystallographica Section C","2006","62","9","o581","o582","10.1107/S0108270106030502","","","0.71073","MoKα","","0.0986","0.0574","","","0.1195","0.1342","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015577","10.694","0.0003","11.712","0.0003","16.048","0.0005","109.351","0.001","101.678","0.001","90.325","0.001","1851.41","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","4-Acetamido-3,3,5,5-[^2^H~4~]-2,2,6,6-tetra([^2^H~3~]methyl)piperidin-1-yloxyl 0.33-hydrate","","- C11 H5.66 D16 N2 O2.33 -","- C11 H21.6667 N2 O2.33333 -","- C66 H130 N12 O14 -","6","3","SK3034","Duskova, Jarmila; Jiri Labsky; Ivana Cisarova; Tereza Skalova; Jan Dohnalek; Jindrich Hasek","4-Acetamido-3,3,5,5-[^2^H~4~]-2,2,6,6-tetra([^2^H~3~]methyl)piperidin-1-yloxyl 0.33-hydrate","Acta Crystallographica Section C","2006","62","9","o563","o566","10.1107/S0108270106024814","","","0.7107","MoKα","","0.0629","0.0481","","","0.1288","0.1397","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015578","22.5423","0.0006","8.4647","0.0003","7.4243","0.0002","90","","91.51","0.002","90","","1416.17","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-(2-thienyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","SK3037","Cobo, Debora; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>E</i>)-3-aryl-2-(thienyl)acrylonitriles: isolated molecules, simple hydrogen-bonded chains and hydrogen-bonded sheets","Acta Crystallographica Section C","2006","62","9","o550","o553","10.1107/S0108270106026874","","","0.71073","MoKα","","0.0558","0.0382","","","0.1046","0.1128","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015579","3.8557","0.0002","24.0484","0.0007","12.5466","0.0004","90","","96.877","0.002","90","","1154.99","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-3-(4-bromophenyl)-2-(2-thienyl)acrylonitrile","","- C13 H8 Br N S -","- C13 H8 Br N S -","- C52 H32 Br4 N4 S4 -","4","1","SK3037","Cobo, Debora; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>E</i>)-3-aryl-2-(thienyl)acrylonitriles: isolated molecules, simple hydrogen-bonded chains and hydrogen-bonded sheets","Acta Crystallographica Section C","2006","62","9","o550","o553","10.1107/S0108270106026874","","","0.71073","MoKα","","0.0723","0.0401","","","0.0734","0.0807","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015580","9.628","0.0011","5.719","0.0003","19.247","0.002","90","","103.129","0.007","90","","1032.09","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-3-phenyl-2-(3-thienyl)acrylonitrile","","- C13 H9 N S -","- C13 H9 N S -","- C52 H36 N4 S4 -","4","1","SK3037","Cobo, Debora; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>E</i>)-3-aryl-2-(thienyl)acrylonitriles: isolated molecules, simple hydrogen-bonded chains and hydrogen-bonded sheets","Acta Crystallographica Section C","2006","62","9","o550","o553","10.1107/S0108270106026874","","","0.71073","MoKα","","0.0887","0.0665","","","0.1777","0.2062","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015581","9.1188","0.00012","11.3095","0.0002","11.6526","0.0002","97.5471","0.001","110.587","0.001","104.468","0.0011","1056.98","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3-methyl-2-(methylsulfanyl)- 6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4(3H)-one monohydrate","","- C22 H25 N3 O4 S -","- C22 H25 N3 O4 S -","- C44 H50 N6 O8 S2 -","2","1","SK3043","Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","5-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3-methyl-2-(methylsulfanyl)-6-phenyl-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one monohydrate: complex sheets generated by multiple hydrogen bonds","Acta Crystallographica Section C","2006","62","9","o554","o556","10.1107/S0108270106027557","","","0.71073","MoKα","","0.075","0.0569","","","0.134","0.1439","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015582","11.3334","0.0006","12.9913","0.0007","15.7999","0.0009","78.778","0.001","79.52","0.001","66.023","0.001","2071.2","0.2","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","Tetrakis[2-(2-pyridyl)pyridinium] tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate","","- C40 H36 Bi6 I22 N8 -","- C40 H32 Bi6 I22 N8 -","- C40 H32 Bi6 I22 N8 -","1","0.5","SQ3025","Goforth, Andrea M.; Tershansy, Meredith A.; Smith, Mark D.; Peterson Jr, LeRoy; Loye, Hans-Conrad zur","Tetrakis[2-(2-pyridyl)pyridinium] tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate and bis[tris(2,2'-bipyridine)ruthenium(II)] di-μ~4~-iodo-octa-μ~2~-iodo-dodecaiodohexabismuthate","Acta Crystallographica Section C","2006","62","9","m381","m385","10.1107/S0108270106025972","","","0.71073","MoKα","","0.0436","0.0356","","","0.0816","0.0851","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015583","12.7346","0.0007","13.6135","0.0007","14.5978","0.0008","91.38","0.001","100.077","0.001","92.01","0.001","2489","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","Bis[tris(2,2'-bipyridine)ruthenium(II)] di-μ~4~-iodo-octa-μ~2~-iodo-dodecaiodohexabismuthate","","- C60 H48 Bi6 I22 N12 Ru2 -","- C60 H48 Bi6 I22 N12 Ru2 -","- C60 H48 Bi6 I22 N12 Ru2 -","1","0.5","SQ3025","Goforth, Andrea M.; Tershansy, Meredith A.; Smith, Mark D.; Peterson Jr, LeRoy; Loye, Hans-Conrad zur","Tetrakis[2-(2-pyridyl)pyridinium] tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate and bis[tris(2,2'-bipyridine)ruthenium(II)] di-μ~4~-iodo-octa-μ~2~-iodo-dodecaiodohexabismuthate","Acta Crystallographica Section C","2006","62","9","m381","m385","10.1107/S0108270106025972","","","0.71073","MoKα","","0.0379","0.0324","","","0.0678","0.0698","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015584","11.716","0.003","15.063","0.004","15.837","0.004","76.49","0.005","80.577","0.005","79.533","0.005","2650.7","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-11-thiosemicarbazonoindeno[1,2-b]quinoxaline-8-carboxylato)bis[(dimethyl sulfoxide)zinc(II)] dimethyl sulfoxide trisolvate","","- C44 H48 N10 O9 S7 Zn2 -","- C44 H48 N10 O9 S7 Zn2 -","- C88 H96 N20 O18 S14 Zn4 -","2","1","SQ3031","Xi-Quan Che; Yu-Xiang Gao; Jing-Wei Wang","A novel 8-carboxyindeno[1,2-<i>b</i>]quinoxalin-11-one thiosemicarbazone zinc(II) Schiff base complex","Acta Crystallographica Section C","2006","62","9","m440","m442","10.1107/S0108270106027582","","","0.71073","MoKα","","0.1336","0.0695","","","0.1541","0.188","","","","","","0.969","","","","has coordinates,has disorder,has Fobs","203832","2020-10-21","18:00:00",""
"2015585","18.0255","0.0011","7.6426","0.0005","10.7325","0.0008","90","","90","","90","","1478.53","0.17","296","","296","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Dichloro[(1E,1'E)-1,1'-(pyridine-2,6-diyl)diethanone bis(O-methyl oxime)-κ^3^N^1^,N^2^,N^6^]cobalt(II)","","- C11 H15 Cl2 Co N3 O2 -","- C11 H15 Cl2 Co N3 O2 -","- C44 H60 Cl8 Co4 N12 O8 -","4","0.5","SQ3032","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","Dichloro[(1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)diethanone bis(<i>O</i>-methyloxime)-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]cobalt(II)","Acta Crystallographica Section C","2006","62","9","m398","m400","10.1107/S0108270106026916","","","0.71073","MoKα","","0.0322","0.0242","","","0.0585","0.0607","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015586","8.747","0.004","9.016","0.005","9.863","0.009","90","","100.96","0.04","90","","763.6","0.9","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Lead Vanadylphosphate","dilead vanadium oxide bis(phosphate)","","- O9 P2 Pb2 V -","- O9 P2 Pb2 V -","- O36 P8 Pb8 V4 -","4","1","AV3010","Roman V. Shpanchenko; Enrique E. Kaul; Christoph Geibel; Evgeny V. Antipov","The new lead vanadylphosphate Pb~2~VO(PO~4~)~2~","Acta Crystallographica Section C","2006","62","10","i88","i90","10.1107/S0108270106021597","","","0.71069","MoKα","","0.0321","0.0321","","","0.0445","0.0445","","","","","","1.62","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2015587","8.8154","0.0009","15.0516","0.0003","6.695","0.0006","90","","90.933","0.012","90","","888.21","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","p-Carboxyphenylammonium nitrate","","","- C7 H8 N2 O5 -","- C7 H8 N2 O5 -","- C28 H32 N8 O20 -","4","1","AV3034","S. Athimoolam; S. Natarajan","Hydrogen-bonding motifs in 4-carboxyphenylammonium nitrate and perchlorate monohydrate, and in bis(4-carboxyphenylammonium) sulfate","Acta Crystallographica Section C","2006","62","10","o612","o617","10.1107/S0108270106033506","","","0.71073","MoKα","","0.058","0.0466","","","0.1261","0.1342","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015588","7.5492","0.0007","19.3871","0.0005","7.2974","0.0003","90","","101.524","0.005","90","","1046.5","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-Carboxyphenylammonium perchlorate monohydrate","","","- C7 H10 Cl N O7 -","- C7 H10 Cl N O7 -","- C28 H40 Cl4 N4 O28 -","4","1","AV3034","S. Athimoolam; S. Natarajan","Hydrogen-bonding motifs in 4-carboxyphenylammonium nitrate and perchlorate monohydrate, and in bis(4-carboxyphenylammonium) sulfate","Acta Crystallographica Section C","2006","62","10","o612","o617","10.1107/S0108270106033506","","","0.71073","MoKα","","0.0488","0.0415","","","0.1138","0.1201","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015589","18.7094","0.0008","14.0562","0.0004","6.0551","0.0005","90","","97.272","0.005","90","","1579.58","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(p-Carboxyphenylammonium) sulfate","","","- C14 H16 N2 O8 S -","- C14 H16 N2 O8 S -","- C56 H64 N8 O32 S4 -","4","1","AV3034","S. Athimoolam; S. Natarajan","Hydrogen-bonding motifs in 4-carboxyphenylammonium nitrate and perchlorate monohydrate, and in bis(4-carboxyphenylammonium) sulfate","Acta Crystallographica Section C","2006","62","10","o612","o617","10.1107/S0108270106033506","","","0.71073","MoKα","","0.0864","0.0596","","","0.1578","0.1811","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015590","8.6681","0.001","5.6287","0.0004","11.733","0.0014","90","","90.199","0.014","90","","572.45","0.1","293","2","293","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","rubidium dibarium azide","Rubidium dibarium pentaazide","","- Ba2 N15 Rb -","- Ba2 N15 Rb -","- Ba4 N30 Rb2 -","2","0.5","BC3011","Vajenine, Grigori V.","RbBa~2~(N~3~)~5~: a new ternary azide","Acta Crystallographica Section C","2006","62","10","i85","i87","10.1107/S0108270106033981","","","0.56086","AgKα","","0.0494","0.0342","","","0.0797","0.0843","","","","","","1.141","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015591","7.876","0.002","15.594","0.004","19.136","0.005","90","","93.214","0.005","90","","2346.6","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(5,7-dihydroxyflavone-6-sulfonate-κ^2^O^4^,O^5^)nickel(II) dimethylformamide solvate monohydrate","","- C18 H25 N Ni O13 S -","- C18 H25 N Ni O13 S -","- C72 H100 N4 Ni4 O52 S4 -","4","1","BG3016","Yun He","Tetraaqua(7-hydroxy-5-oxidoflavone-6-sulfonato-κ^2^<i>O</i>^4^,<i>O</i>^5^)nickel(II) dimethylformamide solvate monohydrate","Acta Crystallographica Section C","2006","62","10","m469","m471","10.1107/S0108270106034536","","","0.71073","MoKα","","0.0473","0.032","","","0.0801","0.0838","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015592","13.7244","0.0008","21.6461","0.0013","16.1238","0.0009","90","","90.68","0.001","90","","4789.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-oxo-bis[bis(2,2'-bipyridine-κ^2^N,N')(sulfato-κO)iron(III)] undecahydrate","","- C40 H54 Fe2 N8 O20 S2 -","- C40 H54 Fe2 N8 O20 S2 -","- C160 H216 Fe8 N32 O80 S8 -","4","0.5","BG3017","Onawumi, O. O. E.; Faboya, O. O. P.; Odunola, O. A.; Prasad, T. K.; Rajasekharan, M. V.","Solvent water tapes in two hydrates of μ-oxo-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)iron(III)]","Acta Crystallographica Section C","2006","62","10","m480","m483","10.1107/S0108270106034275","","","0.71073","MoKα","","0.0816","0.0604","","","0.113","0.1205","","","","","","1.136","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015593","12.8303","0.0018","21.819","0.003","19.312","0.003","90","","96.288","0.003","90","","5373.8","1.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-oxo-bis[bis(2,2'-bipyridine-κ^2^N,N')(sulfato-κO)iron(III)] pentadecahydrate","","- C40 H62 Fe2 N8 O24 S2 -","- C40 H62 Fe2 N8 O24 S2 -","- C160 H248 Fe8 N32 O96 S8 -","4","0.5","BG3017","Onawumi, O. O. E.; Faboya, O. O. P.; Odunola, O. A.; Prasad, T. K.; Rajasekharan, M. V.","Solvent water tapes in two hydrates of μ-oxo-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)iron(III)]","Acta Crystallographica Section C","2006","62","10","m480","m483","10.1107/S0108270106034275","","","0.71073","MoKα","","0.1132","0.0565","","","0.093","0.107","","","","","","0.844","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015594","13.8","0.003","14.984","0.003","18.283","0.004","90","","90","","90","","3780.5","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(dibenzyldimethylammonium) μ-oxo-bis[tribromoferrate(III)]","","- C32 H40 Br6 Fe2 N2 O -","- C32 H40 Br6 Fe2 N2 O -","- C128 H160 Br24 Fe8 N8 O4 -","4","0.5","FA3029","Busi, Sara; Lahtinen, Manu; Sillanpää, Reijo; Rissanen, Kari","A linear Fe‒O‒Fe unit in bis(dibenzyldimethylammonium) μ-oxo-bis[tribromoferrate(III)]","Acta Crystallographica Section C","2006","62","10","m458","m460","10.1107/S0108270106033208","","","0.71073","MoKα","","0.0847","0.0491","","","0.0963","0.1103","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015595","7.637","0.002","9.4576","0.0017","17.632","0.004","90","","90","","90","","1273.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-chloro-7-(2-deoxy-β-D-erythro-pentofuranosyl)- 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","","- C11 H14 Cl N5 O3 -","- C11 H14 Cl N5 O3 -","- C44 H56 Cl4 N20 O12 -","4","1","FA3032","Seela, Frank; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","2-Amino-7-chloro-2'-deoxytubercidin","Acta Crystallographica Section C","2006","62","10","o593","o595","10.1107/S0108270106032227","","","0.71073","MoKα","","0.1333","0.0604","","","0.1151","0.1446","","","","","","0.996","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015596","13.439","0.0004","13.868","0.0004","46.162","0.0015","90","","93.05","0.002","90","","8591.1","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-[5-(4-Bromophenyl)-1H-pyrazol-3-ylamino]-5,5-dimethylcyclohex- 2-en-1-one‒(Z)-3-(4-bromophenyl)-3-chloroacrylonitrile (2:1)","","- C43 H41 Br3 Cl N7 O2 -","- C43 H41 Br3 Cl N7 O2 -","- C344 H328 Br24 Cl8 N56 O16 -","8","1","FA3037","Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-[5-(4-Bromophenyl)-1<i>H</i>-pyrazol-3-ylamino]-5,5-dimethylcyclohex-2-en-1-one‒(<i>Z</i>)-3-(4-bromophenyl)-3-chloroacrylonitrile (2/1): a stoichiometric cocrystal of a reaction product with one of its early precursors","Acta Crystallographica Section C","2006","62","10","o608","o611","10.1107/S0108270106033968","","","0.71073","MoKα","","0.0984","0.0512","","","0.1165","0.1364","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015597","5.961","0.001","17.604","0.004","8.917","0.002","90","","108.38","0.03","90","","888","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(ethylenediaminium) bis[N,N-dihydroxyoxamidato(3-)]nickelate(II) dihydrate","","- C8 H26 N8 Ni O10 -","- C8 H26 N8 Ni O10 -","- C16 H52 N16 Ni2 O20 -","2","0.5","GA3019","Yurii S. Moroz; Elźbieta Gumienna-Kontecka; Igor O. Fritsky; Nikolay M. Dudarenko; Jolanta Świątek-Kozłowska","Bis(ethylenediaminium) bis[oxalohydroxamato(3‒)]nickelate(II) dihydrate","Acta Crystallographica Section C","2006","62","10","m498","m500","10.1107/S0108270106036201","","","0.71073","MoKα","","0.0365","0.0344","","","0.0939","0.0954","","","","","","1.081","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015598","14.4115","0.0006","11.4432","0.0004","13.432","0.0005","90","","102.434","0.002","90","","2163.16","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[4-(hexyloxy)phenyl]pyridin-4(1H)-one‒4-cyanobenzoic acid (1/1)","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C100 H104 N8 O16 -","4","1","GA3021","Li, Chen-Guang; Robinson, Paul D.; Dyer, Daniel J.","A hydrogen-bonded heterodimer of 1-(4-hexyloxyphenyl)pyridin-4(1<i>H</i>)-one with 4-cyanobenzoic acid","Acta Crystallographica Section C","2006","62","10","o596","o598","10.1107/S0108270106033117","","","0.71073","MoKα","","0.074","0.05","","","0.112","0.123","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015599","13.8014","0.0004","8.903","0.0004","21.1399","0.0009","90","","91.675","0.003","90","","2596.43","0.18","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ-5,10,15,20-tetrakis(4-carbomethoxyphenyl)porphyrinato(2-)]zinc(II)] N,N'-dimethylacetamide disolvate]","","- C60 H54 N6 O10 Zn -","- C60 H54 N6 O10 Zn -","- C120 H108 N12 O20 Zn2 -","2","0.5","GA3024","Sankar Muniappan; Sophia Lipstman; Israel Goldberg","Poly[[[μ-5,10,15,20-tetrakis(4-methoxycarbonylphenyl)porphyrinato(2‒)]zinc(II)] <i>N</i>,<i>N</i>'-dimethylacetamide disolvate]","Acta Crystallographica Section C","2006","62","10","m495","m497","10.1107/S0108270106035840","","","0.71073","MoKα","","0.0982","0.0642","","","0.1043","0.1156","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015600","22.018","0.004","8.96","0.0018","16.371","0.003","90","","92.49","0.03","90","","3226.6","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly-[bis[(1,10-phenanthroline)nickel(II)]-μ- 3,6-dicarboxycyclohexane-1,2,4,5-tetracarboxylato]","","- C18 H12 N2 Ni O6 -","- C18 H12 N2 Ni O6 -","- C144 H96 N16 Ni8 O48 -","8","1","GD3041","Zhi-Feng Li; Hong-Zhen Xie; Yue-Qing Zheng","<i>catena</i>-Poly[bis[(1,10-phenanthroline)nickel(II)]-μ-3,6-dicarboxycyclohexane-1,2,4,5-tetracarboxylato]","Acta Crystallographica Section C","2006","62","10","m455","m457","10.1107/S0108270106032495","","","0.71073","MoKα","","0.0515","0.0355","","","0.0806","0.0872","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015601","10.0979","0.0004","13.4026","0.0007","10.6047","0.0004","90","","109.479","0.003","90","","1353.07","0.11","170","2","170","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-n-hexyl-5-hydroxy-3-phenyl-1H-pyrazole","","- C15 H20 N2 O -","- C15 H20 N2 O -","- C60 H80 N8 O4 -","4","1","GD3042","Julio Belmar; Claudio Jiménez; C. Ruiz-Pérez; F. S. Delgado; Ricardo Baggio","A unique tautomer of 1-<i>n</i>-hexyl-3-phenyl-1<i>H</i>-pyrazol-5-ol","Acta Crystallographica Section C","2006","62","10","o599","o601","10.1107/S0108270106032926","","","0.71073","MoKα","","0.0719","0.047","","","0.0966","0.1093","","","","","","1.132","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015602","10.914","0.0016","8.7717","0.0013","15.692","0.002","90","","101.488","0.003","90","","1472.2","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[diisothiocyanatocadmium(II)]-bis[μ-1,3-bis(1,2,4-triazol- 1-ylmethyl)benzene-κ^2^N^4^:N^4'^]]","","- C26 H24 Cd N14 S2 -","- C26 H24 Cd N14 S2 -","- C52 H48 Cd2 N28 S4 -","2","0.5","GD3044","Ge, Hai-Yan; Zhang, Yu-Mei; Li, Bao-Long; Zhang, Yong","<i>catena</i>-Poly[[diisothiocyanatocadmium(II)]-bis[μ-1,3-bis(1,2,4-triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]]: a double-chain coordination polymer","Acta Crystallographica Section C","2006","62","10","m501","m503","10.1107/S010827010603294X","","","0.7107","MoKα","","0.0357","0.0315","","","0.0684","0.0702","","","","","","1.084","","","","has coordinates,has Fobs","287989","2023-12-04","14:52:13",""
"2015603","9.2505","0.0004","9.66","0.0005","21.1032","0.001","90","","101.422","0.003","90","","1848.43","0.15","110","2","110","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(methanol)[10,15,20-tris(4-cyanophenyl)-5-(4-pyridyl)porphyrinato]zinc(II)","","- C47 H28 N8 O Zn -","- C47 H28 N8 O Zn -","- C94 H56 N16 O2 Zn2 -","2","1","GD3047","Sankar Muniappan; Sophia Lipstman; Israel Goldberg","Supramolecular assembly of (methanol)[10,15,20-tris(4-cyanophenyl)-5-(4-pyridyl)porphyrinato]zinc(II) by intermolecular hydrogen bonding and weak coordination","Acta Crystallographica Section C","2006","62","10","m477","m479","10.1107/S0108270106034986","","","0.71073","MoKα","","0.0779","0.0632","","","0.132","0.1389","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015604","17.852","0.013","7.365","0.005","13.558","0.01","90","","96.194","0.011","90","","1772","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methylaminium 4',7-dihydroxyisoflavone-3'-sulfonate dihydrate","","- C16 H19 N O9 S -","- C16 H19 N O9 S -","- C64 H76 N4 O36 S4 -","4","1","GG3002","Zun-Ting Zhang; Xin-Li Cheng; Yun He","Hydrogen bonding and π‒π stacking in methylaminium 4',7-dihydroxyisoflavone-3'-sulfonate dihydrate and hexaaquairon(II) bis(4',7-diethoxyisoflavone-3'-sulfonate) tetrahydrate","Acta Crystallographica Section C","2006","62","10","m484","m487","10.1107/S0108270106007463","","","0.71073","MoKα","","0.0702","0.0429","","","0.1048","0.1225","","","","","","1.013","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015605","8.827","0.003","10.422","0.003","12.803","0.004","88.888","0.004","84.952","0.004","74.255","0.004","1129.2","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","hexaaquairon(II) bis(4',7-diethoxyisoflavone-3'-sulfonate) tetrahydrate","","- C38 H54 Fe O24 S2 -","- C38 H54 Fe O24 S2 -","- C38 H54 Fe O24 S2 -","1","0.5","GG3002","Zun-Ting Zhang; Xin-Li Cheng; Yun He","Hydrogen bonding and π‒π stacking in methylaminium 4',7-dihydroxyisoflavone-3'-sulfonate dihydrate and hexaaquairon(II) bis(4',7-diethoxyisoflavone-3'-sulfonate) tetrahydrate","Acta Crystallographica Section C","2006","62","10","m484","m487","10.1107/S0108270106007463","","","0.71073","MoKα","","0.0754","0.0465","","","0.1077","0.1252","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015606","10.5429","0.0003","12.4821","0.0004","12.6458","0.0003","90","","90","","90","","1664.16","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound I","2,6-dibromo-3,5-dimethylpyridine","","- C7 H7 Br2 N -","- C7 H7 Br2 N -","- C56 H56 Br16 N8 -","8","2","GG3034","Pugh, David","2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine","Acta Crystallographica Section C","2006","62","10","o590","o592","10.1107/S0108270106032732","","","0.71073","MoKα","","0.0307","0.0255","","","0.0469","0.0486","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015607","7.6194","0.0003","14.6296","0.0006","8.1057","0.0002","90","","90","","90","","903.53","0.06","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Compound 2","2,6-diiodo-3,5-dimethylpyridine","","- C7 H7 I2 N -","- C7 H7 I2 N -","- C28 H28 I8 N4 -","4","0.5","GG3034","Pugh, David","2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine","Acta Crystallographica Section C","2006","62","10","o590","o592","10.1107/S0108270106032732","","","0.71073","MoKα","","0.0256","0.0212","","","0.0452","0.0469","","","","","","1.121","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015608","12.268","0.003","10.514","0.002","19.549","0.004","90","","106.78","0.03","90","","2414.2","1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-chloro-bis[(diphenoxyphosphinite-κP)(diphenoxyphosphinito- κP)palladium(II)]","","- C48 H42 Cl2 O12 P4 Pd2 -","- C48 H42 Cl2 O12 P4 Pd2 -","- C96 H84 Cl4 O24 P8 Pd4 -","2","0.5","GG3039","Gniewek, Andrzej; Pryjomska-Ray, Iweta; Trzeciak, Anna M.; Ziółkowski, Józef J.; Lis, Tadeusz","A chloro-bridged dinuclear phosphinitopalladium complex, di-μ-chloro-bis[(diphenoxyphosphinite-κ<i>P</i>)(diphenoxyphosphinito-κ<i>P</i>)palladium(II)]","Acta Crystallographica Section C","2006","62","10","m491","m494","10.1107/S0108270106034500","","","0.71073","MoKα","","0.0975","0.0521","","","0.1005","0.1108","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015609","7.5511","0.0002","14.4834","0.0004","8.3097","0.0003","90","","110.485","0.002","90","","851.33","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Dichlorobenzohydrazide","","- C7 H6 Cl2 N2 O -","- C7 H6 Cl2 N2 O -","- C28 H24 Cl8 N8 O4 -","4","1","GG3041","Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2006","62","10","o618","o624","10.1107/S0108270106034974","","","0.71073","MoKα","","0.0356","0.0275","","","0.0676","0.0715","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015610","15.1188","0.0017","3.8801","0.0004","13.6029","0.0014","90","","91.106","0.006","90","","797.83","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dichlorobenzohydrazide","","- C7 H6 Cl2 N2 O -","- C7 H6 Cl2 N2 O -","- C28 H24 Cl8 N8 O4 -","4","1","GG3041","Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2006","62","10","o618","o624","10.1107/S0108270106034974","","","0.71073","MoKα","","0.0759","0.0455","","","0.0903","0.1005","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015611","11.1667","0.0004","6.9936","0.0003","12.7105","0.0004","90","","112.02","0.06","90","","920.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-2-chlorobenzohydrazide monohydrate","","- C7 H10 Cl N3 O2 -","- C7 H10 Cl N3 O2 -","- C28 H40 Cl4 N12 O8 -","4","1","GG3041","Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2006","62","10","o618","o624","10.1107/S0108270106034974","","","0.71073","MoKα","","0.0492","0.035","","","0.084","0.0905","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015612","12.5382","0.001","4.9867","0.0002","12.8637","0.0008","90","","90","","90","","804.29","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Nitrobenzohydrazide","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","GG3041","Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2006","62","10","o618","o624","10.1107/S0108270106034974","","","0.71073","MoKα","","0.1378","0.0875","","","0.0863","0.0972","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015613","5.9765","0.0012","7.9484","0.0016","18.13","0.004","90","","96.439","0.004","90","","855.8","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,R~S~)-6-Phenyl-1-(p-tolylsulfinyl)hexa-3(E),5(E)-dien-2-ol","","- C19 H20 O2 S -","- C19 H20 O2 S -","- C38 H40 O4 S2 -","2","1","GG3043","Oscar Donoso-Tauda; Carlos A. Escobar; Ramiro Araya-Maturana; Andrés Vega","(2<i>S</i>,<i>R</i>~S~)-6-Phenyl-1-(<i>p</i>-tolylsulfinyl)hexa-3(<i>E</i>),5(<i>E</i>)-dien-2-ol","Acta Crystallographica Section C","2006","62","10","o631","o632","10.1107/S0108270106036171","","","0.71073","MoKα","","0.0848","0.0627","","","0.105","0.1134","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015614","11.039","0.002","13.995","0.003","17.371","0.003","90","","99.04","0.03","90","","2650.3","0.9","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-amino-4,6-dimethylpyrimidinium salicylate","2-amino-4,6-dimethylpyrimidinium salicylate","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C104 H120 N24 O24 -","8","4","GZ3021","Packianathan Thomas Muthiah; Kasthuri Balasubramani; Urszula Rychlewska; Agnieszka Plutecka","Hydrogen-bonding and π‒π interactions in 2-amino-4,6-dimethylpyrimidinium salicylate","Acta Crystallographica Section C","2006","62","10","o605","o607","10.1107/S0108270106031015","","","0.71073","MoKα","","0.1477","0.0453","","","0.0594","0.0819","","","","","","0.896","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015615","7.931","0.0016","10.34","0.002","11.734","0.002","74.87","0.03","75.64","0.03","68.06","0.03","849.4","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis[2'-(4,5-diazafluoren-9-ylidene)picolinohydrazidato-κ^2^N,O)zinc(II) tetrahydrate","","- C34 H32 N10 O8 Zn -","- C34 H32 N10 O8 Zn -","- C34 H32 N10 O8 Zn -","1","0.5","GZ3031","Zhi-Feng Li; Chun-Xiang Wang; Chen-Xia Du","Diaquabis[2'-(4,5-diazafluoren-9-ylidene)picolinohydrazidato-κ^2^<i>N</i>,<i>O</i>]zinc(II) tetrahydrate: a metal‒water chain complex containing cyclic water hexamers","Acta Crystallographica Section C","2006","62","10","m488","m490","10.1107/S0108270106035359","","","0.71073","MoKα","","0.0695","0.0576","","","0.1094","0.1179","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015616","9.904","0.006","9.654","0.006","20.13","0.013","90","","94.228","0.011","90","","1919","2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","cis-Bis[(3-aminopropyl)dimethylphosphine-κ^2^N,P]palladium(II) dichloride methanol solvate","","- C11 H32 Cl2 N2 O P2 Pd -","- C11 H32 Cl2 N2 O P2 Pd -","- C44 H128 Cl8 N8 O4 P8 Pd4 -","4","1","OB3009","Suzuki, Takayoshi; Hasegawa, Atsushi; Yamaguchi, Hiroshi; Kashiwabara, Kazuo; Takagi, Hideo D.","<i>cis</i>-Bis[(3-aminopropyl)dimethylphosphine-κ^2^<i>N</i>,<i>P</i>]palladium(II) dichloride methanol solvate","Acta Crystallographica Section C","2006","62","10","m461","m463","10.1107/S0108270106023596","","","0.7107","MoKα","","0.0342","0.0289","","","0.0545","0.0562","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015617","6.517","0.001","16.67","0.003","9.56","0.002","90","","108.69","0.02","90","","983.8","0.3","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-aminotherephtalic acid chlorohydrate and hydrate","2,5-Dicarboxyanilinium chloride monohydrate","","- C8 H10 Cl N O5 -","- C8 H10 Cl N O5 -","- C32 H40 Cl4 N4 O20 -","4","1","SF3013","Bruno, Giuseppe; Rotondo, Archimede; Brancatelli, Giovanna; Nicoló, Francesco; Marino, Nadia","2,5-Dicarboxyanilinium chloride monohydrate","Acta Crystallographica Section C","2006","62","10","o587","o589","10.1107/S0108270106030873","","","0.71073","MoKα","","","0.0432","","","","0.1171","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015618","20.2187","0.0014","11.5943","0.0006","13.5435","0.0009","90","","93.106","0.003","90","","3170.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[(ferrocenylmethyl)dimethylammonium] sulfate pentahydrate","","- C26 H46 Fe2 N2 O9 S -","- C26 H46 Fe2 N2 O9 S -","- C104 H184 Fe8 N8 O36 S4 -","4","1","SF3015","Guo, Hong-Xu","Two-dimensional hydrogen-bond network in bis[(ferrocenylmethyl)dimethylammonium] sulfate pentahydrate","Acta Crystallographica Section C","2006","62","10","m504","m506","10.1107/S0108270106035232","","","0.71073","MoKα","","0.0636","0.0329","","","0.063","0.0665","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015619","14.4281","0.0005","18.8386","0.0007","9.0887","0.0003","90","","125.285","0.001","90","","2016.52","0.12","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(2R*,3S*)-1-(3,4-dimethoxyphenyl)-3-{3-methoxy-2-[(2R*)-tetrahydropyran- 2-yloxy]phenyl}-2,3-epoxy-1-propanone","","- C23 H26 O7 -","- C23 H26 O7 -","- C92 H104 O28 -","4","1","SK3047","Langer, Vratislav; Li, Shiming; Lundquist, Knut","Chalcone epoxide intermediates in the syntheses of lignin-related phenylcoumarans","Acta Crystallographica Section C","2006","62","10","o625","o627","10.1107/S0108270106036900","","","0.71073","MoKα","","0.0445","0.0363","","","0.0937","0.0994","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015620","12.7503","0.001","9.4201","0.0007","15.4409","0.0012","90","","94.706","0.002","90","","1848.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-1-(3,4-dimethoxyphenyl)-3-(3-methoxy-2-methoxymethoxyphenyl)-2,3- epoxy-1-propanone","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","SK3047","Langer, Vratislav; Li, Shiming; Lundquist, Knut","Chalcone epoxide intermediates in the syntheses of lignin-related phenylcoumarans","Acta Crystallographica Section C","2006","62","10","o625","o627","10.1107/S0108270106036900","","","0.71073","MoKα","","0.0782","0.0441","","","0.0985","0.1134","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015621","7.505","0.0015","5.8492","0.001","19.381","0.004","90","","100.289","0.01","90","","837.1","0.3","115","","115","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cyclodecyl 4-nitrophenylacetate","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","SK3048","Brown, Judge; Pawar, Diwakar M.; Fronczek, Frank R.; Noe, Eric A.","Cyclodecyl 4-nitrophenylacetate","Acta Crystallographica Section C","2006","62","10","o628","o630","10.1107/S0108270106035049","","","0.71073","MoKα","","0.049","0.038","","","0.081","0.087","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015622","9.7949","0.0009","10.8765","0.001","19.4517","0.0017","80.19","0.001","76.77","0.001","68.758","0.001","1871.5","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","tris(<i>cis</i>-1,2-diphenylethylene-1,2-dithiolato)rhenium","tris(<i>cis</i>-1,2-diphenylethylene-1,2-dithiolato)rhenium","","- C42 H30 Re S6 -","- C42 H30 Re S6 -","- C84 H60 Re2 S12 -","2","1","SQ3033","Eisenberg, Richard; Brennessel, William W.","Redetermination of the trigonal prismatic complex tris(<i>cis</i>-1,2-diphenylethylene-1,2-dithiolato)rhenium","Acta Crystallographica Section C","2006","62","10","m464","m466","10.1107/S0108270106033336","","","0.71073","MoKα","","0.0476","0.0361","","","0.0853","0.0893","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015623","9.3387","0.0011","7.1393","0.0008","9.4837","0.001","90","","118.495","0.005","90","","555.7","0.11","93","2","93","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis(methylaminedihydroborane) triiodide","","- C2 H12 B I3 N2 -","- C2 H12 B I3 N2 -","- C4 H24 B2 I6 N4 -","2","0.5","SQ3034","Gainsford, Graeme J.; Kemmitt, Tim","Dihydrobis(methylamine)borate triiodide","Acta Crystallographica Section C","2006","62","10","o602","o604","10.1107/S010827010603335X","","","0.71073","MoKα","","0.0461","0.0353","","","0.0885","0.1002","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015624","11.1178","0.0007","13.3595","0.0009","13.7998","0.0009","111.627","0.001","102.995","0.001","103.648","0.001","1737.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[tris(2-nitrobenzylideneaminoethyl)amine-κ^4^N]copper(I) perchlorate acetonitrile trisolvate","","- C31 H33 Cl Cu N9 O10 -","- C31 H33 Cl Cu N9 O10 -","- C62 H66 Cl2 Cu2 N18 O20 -","2","1","SQ3035","Coyle, Joanne L.; Fuller, Anna; McKee, Vickie; Nelson, Jane","Comparison of copper imine and amine podates: geometric consequences of podand size and donor type","Acta Crystallographica Section C","2006","62","10","m472","m476","10.1107/S0108270106034524","","","0.71073","MoKα","","0.0463","0.0331","","","0.0747","0.0818","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015625","13.183","0.005","14.485","0.006","16.914","0.007","90","","95.319","0.007","90","","3216","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","chloro[tris(2-nitrobenzylaminoethyl)amine-κ^4^N]copper(II) chloride ethanol solvate","","- C29 H39 Cl2 Cu N7 O7 -","- C29 H39 Cl2 Cu N7 O7 -","- C116 H156 Cl8 Cu4 N28 O28 -","4","1","SQ3035","Coyle, Joanne L.; Fuller, Anna; McKee, Vickie; Nelson, Jane","Comparison of copper imine and amine podates: geometric consequences of podand size and donor type","Acta Crystallographica Section C","2006","62","10","m472","m476","10.1107/S0108270106034524","","","0.71073","MoKα","","0.1218","0.0545","","","0.1221","0.1531","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015626","9.5361","0.0007","18.687","0.0013","19.2367","0.0013","90","","104.044","0.001","90","","3325.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[tris(2-nitrobenzylideneaminopropyl)amine-κ^4^N]copper(I) perchlorate","","- C30 H33 Cl Cu N7 O10 -","- C30 H33 Cl Cu N7 O10 -","- C120 H132 Cl4 Cu4 N28 O40 -","4","1","SQ3035","Coyle, Joanne L.; Fuller, Anna; McKee, Vickie; Nelson, Jane","Comparison of copper imine and amine podates: geometric consequences of podand size and donor type","Acta Crystallographica Section C","2006","62","10","m472","m476","10.1107/S0108270106034524","","","0.71073","MoKα","","0.0632","0.0395","","","0.0965","0.1115","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015627","6.0925","0.0004","8.644","0.0004","8.3575","0.0004","90","","90","","90","","440.14","0.04","133","2","","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","Chloro(diethylenetriamine)copper(II) chloride","","- C4 H13 Cl2 Cu N3 -","- C4 H13 Cl2 Cu N3 -","- C8 H26 Cl4 Cu2 N6 -","2","0.25","SQ3036","Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma","Chloro(diethylenetriamine)copper(II) chloride: a disordered quasi-one-dimensional structure","Acta Crystallographica Section C","2006","62","10","m467","m468","10.1107/S0108270106034305","","","0.71073","MoKα","","","0.03","","","","0.0799","","","","","","1.205","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015628","17.623","0.001","7.2451","0.0006","11.3957","0.0008","90","","90","","90","","1455.01","0.18","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","catena-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine] bis(4-hydroxybenzenesulfonate) trihydrate]","","- C22 H32 N2 O15 S2 Zn -","- C22 H32 N2 O15 S2 Zn -","- C44 H64 N4 O30 S4 Zn2 -","2","0.5","AV3042","Yu-Ling Wang","<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine] bis(4-hydroxybenzenesulfonate) trihydrate]","Acta Crystallographica Section C","2006","62","11","m522","m524","10.1107/S0108270106038844","","","0.71073","MoKα","","0.0351","0.0305","","","0.0705","0.0735","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015629","10.601","0.002","10.601","0.002","12.484","0.002","90","","90","","120","","1215","0.4","223","2","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","(1-aza-4-azoniabicyclo[2.2.2]octane-κN^1^) (1,4-diazabicyclo[2.2.2]octane-κN^1^)trichloromanganese(II)","","- C12 H25 Cl3 Mn N4 -","- C12 H25 Cl3 Mn N4 -","- C36 H75 Cl9 Mn3 N12 -","3","0.166667","BC3016","Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma","Effects of <i>d</i>-orbital occupancy on the geometry of the trigonal‒bipyramidal complexes [<i>M</i>^II^Cl~3~(Hdabco)(dabco)]~<i>n~</i>, where <i>M</i> is Mn, Co, Ni or Cu and dabco is 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2006","62","11","m507","m509","10.1107/S0108270106037504","","","0.71073","MoKα","","","0.015","","","","0.0365","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015630","10.5409","0.001","10.5409","0.001","12.303","0.002","90","","90","","120","","1183.9","0.2","223","2","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","(1-aza-4-azoniabicyclo[2.2.2]octane-κN^1^) (1,4-diazabicyclo[2.2.2]octane-κN^1^)trichlorocobalt(II)","","- C12 H25 Cl3 Co N4 -","- C12 H25 Cl3 Co N4 -","- C36 H75 Cl9 Co3 N12 -","3","0.166667","BC3016","Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma","Effects of <i>d</i>-orbital occupancy on the geometry of the trigonal‒bipyramidal complexes [<i>M</i>^II^Cl~3~(Hdabco)(dabco)]~<i>n~</i>, where <i>M</i> is Mn, Co, Ni or Cu and dabco is 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2006","62","11","m507","m509","10.1107/S0108270106037504","","","0.71073","MoKα","","","0.0199","","","","0.0414","","","","","","1.1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015631","9.4288","0.0003","11.7262","0.0004","12.127","0.0005","86.196","0.001","77.29","0.001","77.697","0.001","1277.65","0.08","150","2","","","","","","","","","","4","P -1","-P 1","2","","iodotriphenylphosphonium pentaiodide","","- C18 H15 I6 P -","- C18 H15 I6 P -","- C36 H30 I12 P2 -","2","1","BC3017","Pritchard, Robin G.; Moreland, Lee","Solvent-free synthesis and crystal structure of (Ph~3~PI)I~5~, the third member in the series Ph~3~P(I~2~)~<i>n~</i> (<i>n</i> = 1, 2 and 3)","Acta Crystallographica Section C","2006","62","11","o656","o658","10.1107/S0108270106039825","","","0.71073","MoKα","","","0.0534","","","","0.1463","","","","","","1.066","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015632","13.4646","0.0012","13.4646","0.0012","9.8777","0.0007","90","","90","","120","","1550.9","0.2","100","","100","","","","","","","","","5","P 61","P 61","169","","catena-Poly[[[triaquacobalt(II)]-μ-2,6-dioxo-1,2,3,6-tetrahydropyrimidine- 4-carboxylato(2-)] 1.72-hydrate]","","- C5 H8 Co N2 O8.72 -","- C5 H8 Co N2 O8.72 -","- C30 H48 Co6 N12 O52.32 -","6","1","BG3013","Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Zümreoglu-Karan, Birgül; Necefoglu, Hacali","<i>catena</i>-Poly[[[triaquacobalt(II)]-μ-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylato(2‒)] 1.72-hydrate]","Acta Crystallographica Section C","2006","62","11","m513","m515","10.1107/S010827010603767X","","","0.71073","MoKα","","0.0433","0.0379","","","0.0847","0.0866","","","","","","1.055","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015633","12.8","0.002","16.565","0.003","14.895","0.002","90","","113.356","0.016","90","","2899.4","0.9","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[bis(2-pyridylcarbonyl)aminato]iron(III) perchlorate acetonitrile disolvate","","- C28 H22 Cl Fe N8 O8 -","- C28 H22 Cl Fe N8 O8 -","- C112 H88 Cl4 Fe4 N32 O32 -","4","1","BG3019","Kooijman, Huub; Tanase, Stefania; Bouwman, Elisabeth; Reedijk, Jan; Spek, Anthony L.","Bis[bis(2-pyridylcarbonyl)aminato]iron(III) perchlorate acetonitrile disolvate","Acta Crystallographica Section C","2006","62","11","m510","m512","10.1107/S0108270106037310","","","0.71073","MoKα","","0.0645","0.0385","","","0.0854","0.0947","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015634","17.3792","0.0013","7.8924","0.0006","18.6583","0.0014","90","","109.487","0.001","90","","2412.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile-κN){2-[bis(2-pyridethyl)amino]ethanol-κ^4^N,N',N'',O}zinc(II) bis(perchlorate) monohydrate","","- C18 H26 Cl2 N4 O10 Zn -","- C18 H26 Cl2 N4 O10 Zn -","- C72 H104 Cl8 N16 O40 Zn4 -","4","1","FA3036","Hong-Chang Liang; Marcel Hetu; Wheeler, Kraig A.; Lev N. Zhakorov; Arnold L. Rheingold","(Acetonitrile-κ<i>N</i>){2-[bis(2-pyridylethyl)amino]ethanol-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}zinc(II) bis(perchlorate) monohydrate","Acta Crystallographica Section C","2006","62","11","m519","m521","10.1107/S0108270106037747","","","0.71073","MoKα","","0.0443","0.0367","","","0.0939","0.0982","","","","","","1.045","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015635","5.4154","0.0005","9.8941","0.0008","11.4431","0.0012","90","","94.97","0.014","90","","610.82","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-(1,3-Anhydro-β-D-psicofuranosyl)adenine","","- C11 H13 N5 O4 -","- C11 H13 N5 O4 -","- C22 H26 N10 O8 -","2","1","FA3039","Roivainen, Jarkko; Reuter, Hans; Mikhailopulo, Igor A.; Eickmeier, Henning","9-(1,3-Anhydro-β-<small>D</small>-psicofuranosyl)adenine","Acta Crystallographica Section C","2006","62","11","o659","o660","10.1107/S0108270106037759","","","0.71073","MoKα","","0.0481","0.0413","","","0.1032","0.1085","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015636","8.601","0.004","14.254","0.007","12.664","0.007","90","","98.854","0.005","90","","1534.1","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[μ-chloro-tetra-μ-acetamidato-κ4N:O;κ4O:N-dirhodium(II,III) methanol solvate]","","- C9 H20 Cl N4 O5 Rh2 -","- C9 H20 Cl N4 O5 Rh2 -","- C36 H80 Cl4 N16 O20 Rh8 -","4","1","FA3040","Ebihara, Masahiro; Fuma, Yasuhiro","A zigzag chain structure in <i>catena</i>-poly[[[tetra-μ-acetamidato-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-dirhodium(II,III)]-μ-chloro] methanol solvate]","Acta Crystallographica Section C","2006","62","11","m556","m558","10.1107/S0108270106040121","","","0.71069","MoKα","","0.0403","0.0343","","","0.0693","0.0712","","","","","","1.169","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015637","5.2436","0.0002","11.6079","0.0005","28.9238","0.0011","90","","90","","90","","1760.51","0.12","295","2","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ca7.96 Cu0.04 Ge5 O18 -","- Ca7.959 Cu0.041 Ge5 O18 -","- Ca31.836 Cu0.164 Ge20 O72 -","4","0.5","FA3041","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Ca~7.96~Cu~0.04~Ge~5~O~18~: a new calcium germanate with GeO~4~ and Ge~3~O~10~ units","Acta Crystallographica Section C","2006","62","11","i94","i96","10.1107/S010827010604176X","","","0.71073","MoKα","","","0.0222","","","","0.0587","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015638","18.671","0.004","7.7027","0.0015","14.002","0.003","90","","90.99","0.03","90","","2013.4","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-aqua-bis(μ-2,4-dichlorophenoxyacetato)barium(II)] monohydrate]","","- C16 H14 Ba Cl4 O8 -","- C16 H14 Ba Cl4 O8 -","- C64 H56 Ba4 Cl16 O32 -","4","1","FG3031","Hao, Xiao-Min; Gu, Chang-Sheng; Liu, Ji-Wei; Song, Wen-Dong","Poly[[μ-aqua-bis(μ-2,4-dichlorophenoxyacetato)barium(II)] monohydrate]","Acta Crystallographica Section C","2006","62","11","m516","m518","10.1107/S0108270106037565","","","0.71073","MoKα","","0.0536","0.049","","","0.1195","0.1231","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015639","9.9296","0.0001","9.9296","0.0001","34.0538","0.0006","90","","90","","90","","3357.6","0.08","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(S,S)-4-amino-3,5-bis(1-hydroxyethyl)-1,2,4-triazole‒ (S,S)-1,2-bis(2-hydroxypropionyl)hydrazine (1/1)","","- C12 H24 N6 O6 -","- C12 H24 N6 O6 -","- C96 H192 N48 O48 -","8","1","GA3025","Beckmann, Udo; Brooker, Sally","1:1 Adduct of (<i>S</i>,<i>S</i>)-4-amino-3,5-bis(1-hydroxyethyl)-1,2,4-triazole with (<i>S</i>,<i>S</i>)-1,2-bis(2-hydroxypropionyl)hydrazine stabilized by eight hydrogen bonds","Acta Crystallographica Section C","2006","62","11","o653","o655","10.1107/S0108270106038583","","","0.71073","MoKα","","0.0354","0.0337","","","0.081","0.0818","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015640","9.0779","0.0008","9.1402","0.0009","15.3942","0.0013","85.74","0.007","82.209","0.007","64.386","0.007","1140.98","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","rac-(Z)-Ethyl 2-bromo-2-[(3R,5R)-3-bromo-5-methyltetrahydrofuran-2-ylidene]acetate","","- C9 H12 Br2 O3 -","- C9 H12 Br2 O3 -","- C36 H48 Br8 O12 -","4","2","GA3026","François Loiseau; Reinhard Neier; Gaël Labat; Helen Stoeckli-Evans","<i>rac</i>-(<i>Z</i>)-Ethyl 2-bromo-2-[(3<i>R</i>,5<i>R</i>)-3-bromo-5-methyltetrahydrofuran-2-ylidene]acetate","Acta Crystallographica Section C","2006","62","11","o636","o638","10.1107/S0108270106037127","","","0.71073","MoKα","","0.0664","0.04","","","0.0808","0.0881","","","","","","0.9","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015641","11.6122","0.0008","12.1401","0.0009","13.659","0.0011","92.589","0.006","95.61","0.006","92.52","0.006","1912.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-Bis[1-benzyl-3-(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2- ylidene]dibromopalladium(II)","","- C42 H26 Br2 F10 N4 Pd -","- C42 H26 Br2 F10 N4 Pd -","- C84 H52 Br4 F20 N8 Pd2 -","2","1","GD3050","Aytaç Gürhan Gökçe; Gülcemal, Süleyman; Aygün, Muhittin; Çetinkaya, Bekir; Büyükgüngör, Orhan","<i>trans</i>-Bis[1-benzyl-3-(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2-ylidene]dibromopalladium(II)","Acta Crystallographica Section C","2006","62","11","m535","m537","10.1107/S0108270106039527","","","0.71073","MoKα","","0.1331","0.0591","","","0.0979","0.1192","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015642","8.9859","0.0002","9.8987","0.0002","13.7459","0.0003","100.297","0.002","102.114","0.002","114.051","0.001","1042.75","0.04","295","","295","","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis(2-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide","","- C24 H22 Fe N4 O2 -","- C24 H22 Fe N4 O2 -","- C48 H44 Fe2 N8 O4 -","2","1","GD3052","Yao-Cheng Shi; Bei-Bei Zhu; Xiao-Bi Jing","<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide and <i>N</i>,<i>N</i>'-bis(3-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide","Acta Crystallographica Section C","2006","62","11","m559","m562","10.1107/S0108270106041345","","","0.71073","MoKα","","0.0653","0.0455","","","0.093","0.1052","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015643","6.386","0.003","7.882","0.003","9.987","0.004","85.305","0.017","89.53","0.02","84.831","0.019","499","0.4","193","","193","","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(3-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide","","- C24 H22 Fe N4 O2 -","- C24 H22 Fe N4 O2 -","- C24 H22 Fe N4 O2 -","1","0.5","GD3052","Yao-Cheng Shi; Bei-Bei Zhu; Xiao-Bi Jing","<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide and <i>N</i>,<i>N</i>'-bis(3-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide","Acta Crystallographica Section C","2006","62","11","m559","m562","10.1107/S0108270106041345","","","0.7107","MoKα","","0.0484","0.0414","","","0.0788","0.0819","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015644","9.715","0.002","9.745","0.002","13.868","0.002","91.21","0.004","102.457","0.003","108.561","0.004","1209.6","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","DDNU","1,1'-(ethenylidene)bis(4-chlorobenzene)","","- C14 H10 Cl2 -","- C14 H10 Cl2 -","- C56 H40 Cl8 -","4","2","GZ3023","Jabbar, Md. Abdul; Aritome, Isao; Shimakoshi, Hisashi; Hisaeda,Yoshio","1,1'-(Ethenylidene)bis(4-chlorobenzene)","Acta Crystallographica Section C","2006","62","11","o663","o665","10.1107/S0108270106040753","","","0.71073","MoKα","","0.0925","0.0545","","","0.1348","0.1552","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015645","4.8154","0.0009","8.518","0.005","15.624","0.005","90","","90","","90","","640.9","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Valinol","(S)-(+)-2-Amino-3-methylbutan-1-ol","","- C5 H13 N O -","- C5 H13 N O -","- C20 H52 N4 O4 -","4","1","GZ3028","Dittrich, Birger; Munshi, Parthapratim; Spackman, Mark A.","Invariom-model refinement of <small>L</small>-valinol","Acta Crystallographica Section C","2006","62","11","o633","o635","10.1107/S0108270106037358","","","0.7107","MoKα","","0.0394","0.0282","","","","0.0176","","","","","","1.7095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015646","10.602","0.003","26.834","0.007","12.489","0.003","90","0.005","102.77","0.02","90","0.005","3465.2","1.6","293","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","(η^5^-Cyclopentadienyl)(diphenylphosphinoethane)(4-nitrobenzonitrile)iron(II) iodide","","- C38 H33 Fe I N2 O2 P2 -","- C38 H33 Fe I N2 O2 P2 -","- C152 H132 Fe4 I4 N8 O8 P8 -","4","1","HJ3019","Duarte, M. Teresa; Piedade, M. Fátima M.; Robalo, M. Paula; Jacob, C.; Garcia, M. Helena","The effect of counter-ions on the supramolecular arrangement of (benzonitrile)[1,2-bis(diphenylphosphino)ethane](η^5^-cyclopentadienyl)iron(II) cations","Acta Crystallographica Section C","2006","62","11","m531","m534","10.1107/S0108270106038662","","","0.71069","MoKα","","","0.0706","","","","0.155","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015647","9.0543","0.001","17.884","0.002","10.3365","0.0012","90","","102.84","0.002","90","","1631.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","n","1-(4,6-diethoxypyrimidin-2-yl)-2-thioxo-2,3-dihydropyrido[2,3-<i>d</i>]pyrimidin-4(1<i>H</i>)-one","","- C15 H15 N5 O3 S -","- C15 H15 N5 O3 S -","- C60 H60 N20 O12 S4 -","4","1","HJ3022","Xue, Si-Jia; Wang, Qing-Dong; Li, Jing-Zhi","1-(4,6-Diethoxypyrimidin-2-yl)-2-thioxo-2,3-dihydropyrido[2,3-<i>d</i>]pyrimidin-4(1<i>H</i>)-one","Acta Crystallographica Section C","2006","62","11","o666","o668","10.1107/S0108270106041151","","","0.71073","MoKα","","0.105","0.0508","","","0.0679","0.0811","","","","","","0.876","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2015648","12.849","0.003","10.672","0.002","6.4635","0.0013","90","","90","","90","","886.3","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","potassium chromium niobium oxide phosphate","","- Cr0.5 K Nb0.5 O5 P -","- Cr0.5 K Nb0.5 O5 P -","- Cr4 K8 Nb4 O40 P8 -","8","1","IZ3009","Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Oleg V. Shishkin","Centrosymmetric aliovalent KTP isomorphs K<i>M</i>^III^~0.5~Nb~0.5~OPO~4~ (<i>M</i> = Cr and Fe)","Acta Crystallographica Section C","2006","62","11","i91","i93","10.1107/S0108270106028678","","","0.71073","MoKα","","0.0504","0.0499","","","0.1141","0.1144","","","","","","1.242","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015649","12.9675","0.0013","10.705","0.003","6.4638","0.0007","90","","90","","90","","897.3","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","potassium iron niobium oxide phosphate","","- Fe0.5 K Nb0.5 O5 P -","- Fe0.5 K Nb0.5 O5 P -","- Fe4 K8 Nb4 O40 P8 -","8","1","IZ3009","Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Oleg V. Shishkin","Centrosymmetric aliovalent KTP isomorphs K<i>M</i>^III^~0.5~Nb~0.5~OPO~4~ (<i>M</i> = Cr and Fe)","Acta Crystallographica Section C","2006","62","11","i91","i93","10.1107/S0108270106028678","","","0.71073","MoKα","","","0.0482","","","","0.1125","","","","","","1.326","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015650","16.4033","0.0011","16.4033","0.0011","15.7192","0.0012","90","","90","","90","","4229.5","0.5","296","","296","","","","","","","","","3","I 41/a :2","-I 4ad","88","","4-amino-3-methyl-5-(p-tolyl)-4H-1,2,4-triazole","","- C10 H12 N4 -","- C10 H12 N4 -","- C160 H192 N64 -","16","1","MY3010","Şahin, Onur; Büyükgüngör, Orhan; Şaşmaz, Selami; Gümrükçüoǧlu, Nurhan; Kantar, Cihan","N—H···N and C—H···π interactions in 4-amino-3-methyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazole and 4-amino-3-methyl-5-phenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","2006","62","11","o643","o646","10.1107/S0108270106037668","","","0.71073","MoKα","","0.0608","0.0407","","","0.1056","0.1149","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015651","6.1062","0.0008","7.3981","0.0011","19.653","0.004","90","","90","","90","","887.8","0.3","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-amino-3-methyl-5-phenyl-4H-1,2,4-triazole","","- C9 H10 N4 -","- C9 H10 N4 -","- C36 H40 N16 -","4","1","MY3010","Şahin, Onur; Büyükgüngör, Orhan; Şaşmaz, Selami; Gümrükçüoǧlu, Nurhan; Kantar, Cihan","N—H···N and C—H···π interactions in 4-amino-3-methyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazole and 4-amino-3-methyl-5-phenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","2006","62","11","o643","o646","10.1107/S0108270106037668","","","0.71073","MoKα","","0.0438","0.0397","","","0.1042","0.1066","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015652","9.2775","0.0013","6.7213","0.0016","14.875","0.002","90","","94.614","0.011","90","","924.6","0.3","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonic acid","[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonic acid","","- C6 H12 N O5 P -","- C6 H12 N O5 P -","- C24 H48 N4 O20 P4 -","4","1","OB3021","Petar Todorov; Emilia Naydenova; Rosica Petrova; Boris Shivachev; Kolio Troev","[(4,4-Dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonic acid","Acta Crystallographica Section C","2006","62","11","o661","o662","10.1107/S0108270106041230","","","0.71073","MoKα","","0.1324","0.0668","","","0.1643","0.1918","","","","","","0.977","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015653","10.117","0.002","15.951","0.003","9.858","0.002","90","","114.33","0.03","90","","1449.6","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[bis(3,5-dimethylpyrazol-1-yl)methane]bis(isothiocyanato)cadmium(II)","","- C24 H32 Cd N10 S2 -","- C24 H32 Cd N10 S2 -","- C48 H64 Cd2 N20 S4 -","2","0.5","OB3022","Li, Qiao-Yun; Li, Hong-Xi; Tang, Xiao-Yan; Zhang Yong; Lang, Jian-Ping","Bis[bis(3,5-dimethylpyrazol-1-yl)methane]bis(isothiocyanato)cadmium(II) and <i>catena</i>-poly[[di-μ-dicyanamidato-bis{[bis(3,5-dimethylpyrazol-1yl)methane]cadmium(II)}]-di-μ-dicyanamidato]","Acta Crystallographica Section C","2006","62","11","m527","m530","10.1107/S0108270106039072","","","0.71073","MoKα","","0.0335","0.0309","","","0.0644","0.0654","","","","","","1.202","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015654","17.756","0.004","12.883","0.003","17.637","0.004","90","","110.44","0.03","90","","3780.5","1.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-poly[[di-μ-dicyanamidato-bis[bis(3,5-dimethylpyrazol-1- yl)methane]dicadmium(II)]-di-μ-dicyanamidato]","","- C30 H32 Cd2 N20 -","- C30 H32 Cd2 N20 -","- C120 H128 Cd8 N80 -","4","1","OB3022","Li, Qiao-Yun; Li, Hong-Xi; Tang, Xiao-Yan; Zhang Yong; Lang, Jian-Ping","Bis[bis(3,5-dimethylpyrazol-1-yl)methane]bis(isothiocyanato)cadmium(II) and <i>catena</i>-poly[[di-μ-dicyanamidato-bis{[bis(3,5-dimethylpyrazol-1yl)methane]cadmium(II)}]-di-μ-dicyanamidato]","Acta Crystallographica Section C","2006","62","11","m527","m530","10.1107/S0108270106039072","","","0.71073","MoKα","","0.0747","0.0582","","","0.1068","0.114","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015655","5.7381","0.0005","19.5148","0.0016","21.9735","0.0018","90","","90","","90","","2460.5","0.4","166","2","166","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1D-3-(Diphenylphosphino)-1,2:5,6-di-O-isopropylidene-4-O-methyl-chiro-inositol","","- C25 H31 O6 P -","- C25 H31 O6 P -","- C100 H124 O24 P4 -","4","1","RB3020","Gainsford, Graeme J.; Lensink Cornelis; Falshaw, Andrew","3-Diphenylphosphino-1,2:5,6-di-<i>O</i>-isopropylidene-4-<i>O</i>-methyl-1<small>D</small>-<i>chiro</i>-inositol","Acta Crystallographica Section C","2006","62","11","o650","o652","10.1107/S0108270106038522","","","0.71073","MoKα","","0.057","0.0319","","","0.0553","0.0585","","","","","","0.869","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015656","12.3634","0.001","6.8031","0.0004","28.077","0.002","90","","90.306","0.007","90","","2361.5","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Cyclohexyl-2-[5-(4-pyridyl)-4-(p-tolyl)-4H-1,2,4-triazol-3- ylsulfanyl]acetamide dihydrate","","- C22 H29 N5 O3 S -","- C22 H29 N5 O3 S -","- C88 H116 N20 O12 S4 -","4","1","SF3017","Dinçer, Muharrem; Özdemir, Namık; Çetin, Ahmet; Keser, Tekin; Büyükgüngör, Orhan","<i>N</i>-Cyclohexyl-2-[5-(4-pyridyl)-4-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazol-3-ylsulfanyl]acetamide dihydrate","Acta Crystallographica Section C","2006","62","11","o639","o642","10.1107/S0108270106037930","","","0.71073","MoKα","","0.0597","0.0382","","","0.0999","0.1073","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015657","12.3796","0.0002","13.4467","0.0002","15.5757","0.0003","78.1094","0.0005","69.5983","0.0006","68.0862","0.0006","2245.96","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","aqua[20-(4-carboxyphenyl)-5,10,15-triphenylporphyrinato]zinc(II) nitrobenzene disolvate","","- C57 H40 N6 O7 Zn -","- C57 H40 N6 O7 Zn -","- C114 H80 N12 O14 Zn2 -","2","1","SF3019","Sophia Lipstman; Sankar Muniappan; Israel Goldberg","Hydrogen-bonded supramolecular arrays of aqua[20-(4-carboxyphenyl)-5,10,15-triphenylporphyrinato]zinc(II) in crystals of its nitrobenzene disolvate","Acta Crystallographica Section C","2006","62","11","m538","m540","10.1107/S0108270106038996","","","0.71073","MoKα","","0.0923","0.0625","","","0.1607","0.1818","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015658","8.703","0.0015","8.5986","0.0015","9.4773","0.0016","90","","102.532","0.003","90","","692.3","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[aqua-μ~3~-2,2-dimethylmalonato-zinc(II)]","","- C5 H8 O5 Zn -","- C5 H8 O5 Zn -","- C20 H32 O20 Zn4 -","4","1","SK3044","Guo, Ming-Lin; Zhao, Yong-Nan","Poly[aqua-μ~3~-2,2-dimethylmalonato-zinc(II)]","Acta Crystallographica Section C","2006","62","11","m563","m565","10.1107/S0108270106041692","","","0.71073","MoKα","","0.0258","0.0215","","","0.0565","0.0592","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015659","8.5218","0.0006","14.0107","0.0011","17.4337","0.0014","99.743","0.007","99.712","0.007","105.197","0.007","1929.4","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","bis(μ~2~-aqua-d~2~)tetrakis(aqua-d~2~)dilithium(I) bis[bis(tri-tert-butoxysilanethiolato-κ^2^O,S)lithate(I)] dihydrate-d~2~","","- C48 H108 D16 Li4 O20 S4 Si4 -","- C48 H108 D16 Li4 O20 S4 Si4 -","- C48 H108 D16 Li4 O20 S4 Si4 -","1","0.5","SK3045","Magdalena Kloskowska; Jarosław Chojnacki; Wiesław Wojnowski; Barbara Becker","The first compound with an unusual type of anion, [Li(S<i>R</i>)~2~]^{‒^}: bis(μ~2~-aqua-<i>d</i>~2~)tetrakis(aqua-<i>d</i>~2~)dilithium(I) bis[bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)lithate(I)] dihydrate-<i>d</i>~2~","Acta Crystallographica Section C","2006","62","11","m541","m544","10.1107/S0108270106041746","","","0.71073","MoKα","","0.051","0.0475","","","0.1164","0.1196","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015660","8.4443","0.0002","18.0873","0.0004","15.9154","0.0003","90","","90.333","0.0009","90","","2430.79","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly-[tetrakis(μ-acetato-<i>O</i>,<i>O</i>')- μ-1,3-bis(dimethylamino)-2-propanol-<i>N</i>,<i>N</i>'-dirhodium(II) tetrahydrofuran hemisolvate]","","- C17 H34 N2 O9.5 Rh2 -","- C17 H34 N2 O9.5 Rh2 -","- C68 H136 N8 O38 Rh8 -","4","1","SK3054","Pevec, Andrej; Alojz Demšar; Aoki, Katsuyuki; Turel, Iztok","<i>catena</i>-Poly[[[tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')dirhodium(II)]-μ-[1,3-bis(dimethylamino)propan-2-ol-κ^2^<i>N</i>:<i>N</i>']] tetrahydrofuran hemisolvate]","Acta Crystallographica Section C","2006","62","11","m545","m547","10.1107/S0108270106040972","","","0.71073","MoKα","","0.0661","0.0375","","","0.0692","0.0781","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015661","8.3437","0.0012","19.848","0.002","14.028","0.002","90","","120.685","0.01","90","","1997.8","0.5","150","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichloro(4,10-dimethyl-1,4,7,10-tetraazabicyclo[5.5.2]tetradecane)iron(III) hexafluorophosphate","","- C12 H26 Cl2 F6 Fe N4 P -","- C12 H26 Cl2 F6 Fe N4 P -","- C48 H104 Cl8 F24 Fe4 N16 P4 -","4","1","SK3055","McClain II, James M.; Maples, Danny L.; Maples, Randall D.; Matz, Dallas L.; Harris, Sebastian M.; Nelson, Andrew D. L.; Silversides, Jon D.; Archibald, Stephen J.; Hubin, Timothy J.","Dichloro(4,10-dimethyl-1,4,7,10-tetraazabicyclo[5.5.2]tetradecane)iron(III) hexafluorophosphate","Acta Crystallographica Section C","2006","62","11","m553","m555","10.1107/S0108270106040765","","","0.71073","MoKα","","","0.0408","","","","0.1167","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015662","21.969","0.0006","9.2901","0.0007","7.9642","0.0002","90","","106.216","0.002","90","","1560.78","0.13","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Nitrophenylacetic acid","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","1","SK3059","Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","3-Nitrophenylacetic acid: a three-dimensional hydrogen-bonded framework structure containing substructures in zero, one and two dimensions","Acta Crystallographica Section C","2006","62","11","o647","o649","10.1107/S0108270106039205","","","0.71073","MoKα","","0.054","0.0387","","","0.0987","0.1075","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015663","17.14","0.003","13.93","0.003","11.95","0.002","90","","109","0.03","90","","2697.7","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[diiodozinc(II)-<i>μ</i>-4,4'-bipyridine-<i>k</i>^2^ <i>N</i>:<i>N</i>']","","- C10 H8 I2 N2 Zn -","- C10 H8 I2 N2 Zn -","- C80 H64 I16 N16 Zn8 -","8","2","SK3060","Le-Qing Fan; Ji-Huai Wu","<i>catena</i>-Poly[[diiodozinc(II)]-<i>{μ</i>}-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2006","62","11","m548","m549","10.1107/S0108270106039965","","","0.71073","MoKα","","0.0608","0.0416","","","0.1216","0.1353","","","","","","1.036","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2015664","7.977","0.003","10.099","0.003","15.21","0.005","90","","104.075","0.011","90","","1188.5","0.7","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","propane-1,3-diammonium tetravanadate","","- C3 H12 N2 O10 V4 -","- C3 H12 N2 O10 V4 -","- C12 H48 N8 O40 V16 -","4","0.5","SK3063","Nicholas F. Stephens; Philip Lightfoot","A second polymorph of [H~3~N(CH~2~)~3~NH~3~][V~4~O~10~]","Acta Crystallographica Section C","2006","62","11","m566","m568","10.1107/S0108270106040777","","","0.71073","MoKα","","0.0279","0.0246","","","0.0575","0.0594","","","","","","1.134","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015665","7.3955","0.0002","11.239","0.0003","11.7463","0.0003","104.505","0.001","106.052","0.001","95.888","0.001","892.73","0.04","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","tetrakis(3-aminopyridine)dichloro-bis(methanol)-μ2-suberato-dicobalt(II)","","- C30 H44 Cl2 Co2 N8 O6 -","- C30 H44 Cl2 Co2 N8 O6 -","- C30 H44 Cl2 Co2 N8 O6 -","1","0.5","SK3064","Lah, Nina; Leban, Ivan","A dimeric cobalt(II)‒suberate complex with 3-aminopyridine","Acta Crystallographica Section C","2006","62","11","m550","m552","10.1107/S0108270106040935","","","0.71069","MoKα","","0.0378","0.0308","","","0.0694","0.0724","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015666","6.9781","0.0006","12.7118","0.0013","14.1568","0.0014","90","","91.206","0.002","90","","1255.5","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","4,4'-bipyridinium poly[tetrachloromanganate(II)]","catena-Poly[4,4'-bipyridinium [[dichloromanganese(II)]-di-μ-chloro]]","","- C10 H10 Cl4 Mn N2 -","- C5 H5 Cl2 Mn0.5 N -","- C40 H40 Cl16 Mn4 N8 -","8","1","SQ3038","Li, Ming-Xue; Li, Su-Zhi","<i>catena</i>-Poly[4,4'-bipyridinium [[<i>cis</i>-dichloromanganese(II)]-di-μ-chloro]], a novel manganese(II) coordination polymer with 4,4'-bipyridinium","Acta Crystallographica Section C","2006","62","11","m525","m526","10.1107/S0108270106038108","","","0.71073","MoKα","","0.0154","0.0151","","","0.0439","0.0441","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015667","10.8944","0.0003","10.676","0.0003","11.0496","0.0003","90","","106.86","0.001","90","","1229.92","0.06","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquachloronitrato(2,2'-bipyridyl)copper(II)","","- C10 H10 Cl Cu N3 O4 -","- C10 H10 Cl Cu N3 O4 -","- C40 H40 Cl4 Cu4 N12 O16 -","4","1","AV3035","Youngme, Sujittra; Phatchimkun, Jaturong; Chaichit, Narongsak","Aqua(2,2'-bipyridyl)chloronitratocopper(II)","Acta Crystallographica Section C","2006","62","12","m574","m576","10.1107/S0108270106039734","","","0.71073","MoKα","","0.027","0.024","","","0.065","0.0664","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015668","10.531","0.005","10.274","0.006","11.012","0.005","90","","102.654","0.015","90","","1162.5","1","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro(O-ethyl 3-methylpyridine-2-carboximidic acid-κ^2^N,N')copper(II)","","- C18 H24 Cl4 Cu2 N4 O2 -","- C18 H24 Cl4 Cu2 N4 O2 -","- C36 H48 Cl8 Cu4 N8 O4 -","2","0.5","AV3037","Ri-Cheng Xuan; Min Xu; Dong-Ping Cheng","Dichloro(<i>O</i>-ethyl 3-methylpyridine-2-carboximidic acid-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","2006","62","12","m587","m589","10.1107/S0108270106041916","","","0.71073","MoKα","","","0.0229","","","","0.0582","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015669","7.8564","0.0008","7.9812","0.0008","10.1367","0.001","90","","111.862","0.005","90","","589.9","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-3-Oxocyclopentanecarboxylic acid","","- C6 H8 O3 -","- C6 H8 O3 -","- C24 H32 O12 -","4","1","AV3038","Malak, Muhammad H.; Baker, Daniel; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","(±)-3-Oxocyclopentanecarboxylic acid: the smallest keto acid known to aggregate by catemeric hydrogen bonding","Acta Crystallographica Section C","2006","62","12","o669","o670","10.1107/S0108270106041369","","","1.54178","CuKα","","0.038","0.037","","","0.092","0.093","","","","","","1.12","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015670","12.952","0.003","14.489","0.003","4.5851","0.001","90","","90","","90","","860.4","0.3","173","2","","","","","","","","","","6","P n n m","-P 2 2n","58","","catena-poly[p-phenylenediammonium [[diiodolead(II)]-di-μ-iodo] dihydrate]","","- C6 H14 I4 N2 O2 Pb -","- C6 H14 I4 N2 O2 Pb -","- C12 H28 I8 N4 O4 Pb2 -","2","0.25","AV3041","Lemmerer, Andreas; Billing, David G.","Two packing motifs based upon chains of edge-sharing PbI~6~ octahedra","Acta Crystallographica Section C","2006","62","12","m597","m601","10.1107/S0108270106039746","","","0.71073","MoKα","","","0.0319","","","","0.0814","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015671","30.1215","0.0019","4.6111","0.0003","20.4599","0.0012","90","","122.725","0.003","90","","2390.7","0.3","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[bis(3,5-dimethylanilinium) [[diiodolead(II)]-di-μ-iodo]]","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","0.5","AV3041","Lemmerer, Andreas; Billing, David G.","Two packing motifs based upon chains of edge-sharing PbI~6~ octahedra","Acta Crystallographica Section C","2006","62","12","m597","m601","10.1107/S0108270106039746","","","0.71073","MoKα","","","0.0238","","","","0.0503","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015672","29.641","0.0003","7.4132","0.0001","10.5656","0.0002","90","","92.109","0.001","90","","2320.06","0.06","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1-ferrocenylbutane-1,3-dionato-κ^2^O,O')copper(II)","","- C28 H26 Cu Fe2 O4 -","- C28 H26 Cu Fe2 O4 -","- C112 H104 Cu4 Fe8 O16 -","4","0.5","AV3044","Boyd, Peter D.W.; Johns, Paul M.; Rickard, Clifton E.F.","Bis(1-ferrocenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II) and bis(1,3-diferrocenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2006","62","12","m590","m593","10.1107/S0108270106041886","","","0.71073","MoKα","","0.0398","0.0324","","","0.0946","0.0998","","","","","","1.214","","","","has coordinates,has Fobs","208246","2020-10-21","18:00:00",""
"2015673","11.9182","0.0002","12.8881","0.0001","12.9097","0.0001","89.67","0.001","78.617","0.001","76.987","0.001","1892.49","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,3-diferrocenylpropane-1,3-dionateo-κ^2^O,O')copper(II)","","- C46 H38 Cu Fe4 O4 -","- C46 H38 Cu Fe4 O4 -","- C92 H76 Cu2 Fe8 O8 -","2","1","AV3044","Boyd, Peter D.W.; Johns, Paul M.; Rickard, Clifton E.F.","Bis(1-ferrocenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II) and bis(1,3-diferrocenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2006","62","12","m590","m593","10.1107/S0108270106041886","","","0.71073","MoKα","","0.0696","0.0479","","","0.1142","0.1265","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","208159","2020-10-21","18:00:00",""
"2015674","6.7039","0.0009","6.7039","0.0009","17.065","0.003","90","","90","","90","","766.9","0.2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","Tetrapotassium cerium(IV) zirconium tetrakis(monophosphate)","","- Ce K4 O16 P4 Zr -","- Ce1.018 K4 O16 P4 Zr0.986 -","- Ce2.036 K8 O32 P8 Zr1.972 -","2","0.0625","BC3019","Ogorodnyk, Ivan V.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.","A disordered cerium(IV) phosphate with a tunnel structure, K~4~CeZr(PO~4~)~4~","Acta Crystallographica Section C","2006","62","12","i100","i102","10.1107/S0108270106044519","","","0.71073","MoKα","","0.0337","0.0294","","","0.0785","0.0795","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015675","7.862","0.002","8.088","0.002","13.503","0.004","90","","90","","90","","858.6","0.4","93","2","93","2","","","","","","","","4","P m c n","-P 2n 2a","62","","Ammonium scandium tetrafluoride","","- F4 H4 N Sc -","- F4 H4 N Sc -","- F32 H32 N8 Sc8 -","8","1","BC3020","Nicholas F. Stephens; Philip Lightfoot","Ammonium scandium tetrafluoride","Acta Crystallographica Section C","2006","62","12","i103","i105","10.1107/S0108270106044520","","","0.71073","MoKα","","0.0435","0.0281","","","0.0908","0.1022","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015676","11.645","0.0002","15.149","0.0002","15.194","0.0002","90","","90","","90","","2680.38","0.07","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","catena-Poly[[[<i>cis</i>-aquabis(4-carboxycyclohexane-1-carboxylato- κ^2^O,O')cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>] monohydrate]","","- C26 H34 Cd N2 O10 -","- C26 H34 Cd N2 O10 -","- C104 H136 Cd4 N8 O40 -","4","0.5","BG3020","E Yang; Rong-Qiang Zhuang; Jian-Xin Chen","<i>catena</i>-Poly[[[<i>cis</i>-aquabis(4-carboxycyclohexane-1-carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>] monohydrate]","Acta Crystallographica Section C","2006","62","12","m612","m613","10.1107/S0108270106046038","","","0.71073","MoKα","","","0.0221","","","0.0663","0.0667","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015677","7.0301","0.0014","15.707","0.003","6.968","0.0014","90","","101.77","0.03","90","","753.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[aqua-μ-imidazole-4,5-dicarboxylato-lead(II)]","","- C5 H4 N2 O5 Pb -","- C5 H4 N2 O5 Pb -","- C20 H16 N8 O20 Pb4 -","4","1","BG3021","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","A three-dimensional lead(II) coordination polymer: poly[aqua-μ-imidazole-4,5-dicarboxylato-lead(II)]","Acta Crystallographica Section C","2006","62","12","m617","m619","10.1107/S0108270106046415","","","0.71073","MoKα","","0.0211","0.0198","","","0.0484","0.0492","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015678","5.9642","0.0019","11.715","0.004","10.853","0.004","90","","104.817","0.004","90","","733.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis[5-(pyrazin-2-yl-κN^1^)-1H-tetrazolato-κN^1^]manganese(II)","","- C10 H10 Mn N12 O2 -","- C10 H10 Mn N12 O2 -","- C20 H20 Mn2 N24 O4 -","2","0.5","DN3026","Jun Luo; Xin-Rong Zhang; Li-Li Cui; Wei-Quan Dai; Bao-Shu Liu","Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]manganese(II) and diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]zinc(II)","Acta Crystallographica Section C","2006","62","12","m614","m616","10.1107/S010827010604457X","","","0.71073","MoKα","","0.0494","0.0448","","","0.1172","0.1204","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015679","6.0906","0.0018","11.456","0.003","10.686","0.003","90","","105.634","0.004","90","","718","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diaquabis[5-(pyrazin-2-yl-κN^1^)-1H-tetrazolato-κN^1^]zinc(II)","","- C10 H10 N12 O2 Zn -","- C10 H10 N12 O2 Zn -","- C20 H20 N24 O4 Zn2 -","2","0.5","DN3026","Jun Luo; Xin-Rong Zhang; Li-Li Cui; Wei-Quan Dai; Bao-Shu Liu","Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]manganese(II) and diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]zinc(II)","Acta Crystallographica Section C","2006","62","12","m614","m616","10.1107/S010827010604457X","","","0.71073","MoKα","","0.0328","0.0272","","","0.07","0.0714","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015680","12.767","0.005","14.095","0.005","15.967","0.005","96.122","0.005","91.784","0.005","94.944","0.005","2843.9","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Chloro(μ-6-methylpyridine-2-carboxylato)bis(6-methylpyridine-2- carboxylato)triphenylchromium(III)tin(IV) chlorotriphenyltin(IV)","","- C58 H52 Cl2 Cr N3 O7 Sn2 -","- C58 H49 Cl2 Cr N3 O7 Sn2 -","- C116 H98 Cl4 Cr2 N6 O14 Sn4 -","2","1","FA3038","Guo-Hai Xu; Jian-Fang Ma; Ying-Ying Liu; Shun-Li Li","Chloro(μ-6-methylpyridine-2-carboxylato)bis(6-methylpyridine-2-carboxylato)triphenylchromium(III)tin(IV) chlorotriphenyltin(IV)","Acta Crystallographica Section C","2006","62","12","m581","m583","10.1107/S0108270106043484","","","0.71069","MoKα","","0.0506","0.0325","","","0.0659","0.0696","","","","","","0.881","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015681","8.8511","0.0001","28.6847","0.0004","11.9607","0.0002","90","","109.958","0.0006","90","","2854.34","0.07","295","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","tetrakis[hexaamminecobalt(III)] hexachlorodadmate(II) bis[aquatetrachlorothiocyanatocadmate(II)] dichloride dihydrate","","- C2 H80 Cd3 Cl16 Co4 N26 O4 S2 -","- C2 H80 Cd3 Cl16 Co4 N26 O4 S2 -","- C4 H160 Cd6 Cl32 Co8 N52 O8 S4 -","2","0.5","FA3042","Bala, Ritu; Sharma, Raj Pal; Sharma, Upendra; Ferretti, Valeria","The first X-ray structure of a hexaamminecobalt(III) salt with two different complex chlorocadmium anions: synthesis, characterization and crystal structure of [Co(NH~3~)~6~]~4~[CdCl~6~][CdCl~4~(SCN)(H~2~O)]~2~Cl~2~·2H~2~O","Acta Crystallographica Section C","2006","62","12","m628","m631","10.1107/S0108270106044398","","","0.71073","MoKα","","0.0501","0.038","","","0.0785","0.0825","","","","","","1.045","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2015682","4.632","0.001","16.456","0.005","11.483","0.003","90","","98.57","0.03","90","","865.5","0.4","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Bis(3-acetylpyridine-κN)diiodoplatinum(II)","","- C14 H14 I2 N2 O2 Pt -","- C14 H14 I2 N2 O2 Pt -","- C28 H28 I4 N4 O4 Pt2 -","2","0.5","FA3046","Christian Tessier; Fernande D. Rochon","<i>trans</i>-Bis(3-acetylpyridine-κ<i>N</i>)diiodoplatinum(II)","Acta Crystallographica Section C","2006","62","12","m620","m622","10.1107/S0108270106045197","","","0.71073","MoKα","","0.0568","0.0348","","","0.0706","0.0775","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015683","5.3573","0.0008","18.296","0.003","27.041","0.005","90","","90.753","0.008","90","","2650.3","0.8","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis-(1,10-decamethylenedithio)TTF","2,7-Bis(2-cyanoethylsulfanyl)-3,6-(1,10-decamethylenedithio)tetrathiafulvalene","","- C22 H28 N2 S8 -","- C22 H28 N2 S8 -","- C88 H112 N8 S32 -","4","1","FA3047","Nygaard, Sune; Flood, Amar H.; Jeppesen, Jan O.; Bond, Andrew D.","<i>Cis</i>- and <i>trans</i>-bis(2-cyanoethylsulfanyl)(decane-1,10-diyldithio)tetrathiafulvalene","Acta Crystallographica Section C","2006","62","12","o677","o680","10.1107/S0108270106041114","","","0.71073","MoKα","","0.1407","0.0539","","","0.0962","0.1153","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015684","7.8916","0.0004","26.1798","0.0016","12.9931","0.0008","90","","100.576","0.002","90","","2638.8","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trans-(1,10-decamethylenedithio)TTF","2,6-bis(2-cyanoethylsulfanyl)-3,7-(1,10-decamethylenedithio)tetrathiafulvalene","","- C22 H28 N2 S8 -","- C22 H28 N2 S8 -","- C88 H112 N8 S32 -","4","1","FA3047","Nygaard, Sune; Flood, Amar H.; Jeppesen, Jan O.; Bond, Andrew D.","<i>Cis</i>- and <i>trans</i>-bis(2-cyanoethylsulfanyl)(decane-1,10-diyldithio)tetrathiafulvalene","Acta Crystallographica Section C","2006","62","12","o677","o680","10.1107/S0108270106041114","","","0.71073","MoKα","","0.0765","0.0391","","","0.0887","0.0992","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015685","10.4324","0.0008","7.5565","0.0005","18.9837","0.0015","90","","102.641","0.007","90","","1460.26","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Methyl-1'-carboxy-1-ferrocenebutyrate","Methyl 4-(1'-carboxyferrocen-1-yl)butyrate","","- C16 H18 Fe O4 -","- C16 H18 Fe O4 -","- C64 H72 Fe4 O16 -","4","1","FA3052","Pavlović, Gordana; Barišić, Lidija; Čakić Semenčić, Mojca; Rapić, Vladimir","Methyl 4-(1'-carboxyferrocen-1-yl)butyrate","Acta Crystallographica Section C","2006","62","12","m610","m611","10.1107/S0108270106044490","","","0.71073","MoKα","","0.0422","0.0412","","","0.0892","0.0899","","","","","","1.138","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015686","12.107","0.002","11.05","0.002","14.627","0.003","90","","92.42","0.03","90","","1955.1","0.6","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bba-py","7,7-dimethyl-7,8-dihydro-5H-dibenzo[e,i][1,4,8] triazacycloundecine-6,9,15(14H)-trione pyridine solvate","","- C23 H22 N4 O3 -","- C23 H22 N4 O3 -","- C92 H88 N16 O12 -","4","1","GA3020","Morris, James C.; Gordon-Wylie, Scott W.; Clark, George R.","7,7-Dimethyl-5<i>H</i>-dibenzo[<i>e</i>,<i>i</i>][1,4,8]triazacycloundecine-6,9,15(7<i>H</i>,8<i>H</i>,14<i>H</i>)-trione pyridine solvate","Acta Crystallographica Section C","2006","62","12","o674","o676","10.1107/S0108270106041242","","","0.71073","MoKα","","0.0496","0.0389","","","0.0935","0.0999","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015687","8.5002","0.0005","17.6318","0.001","18.2158","0.001","90","","97.744","0.001","90","","2705.2","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Donepezilium oxalate trihydrate","(R,S)-1-benzyl-4[(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl] piperidinium hydrogen oxalate trihydrate","","- C26 H37 N O10 -","- C26 H37 N O10 -","- C104 H148 N4 O40 -","4","1","GA3028","K. Ravikumar; B. Sridhar; D. G. Sathe; A. V. Naidu; K. D. Sawant","Donepezilium oxalate trihydrate, a therapeutic agent for Alzheimer's disease","Acta Crystallographica Section C","2006","62","12","o681","o683","10.1107/S0108270106041187","","","0.71073","MoKα","","0.0511","0.043","","","0.1144","0.1216","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015688","9.5353","0.0006","10.2071","0.0006","20.7901","0.0012","79.198","0.001","79.645","0.001","78.257","0.001","1924.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2Z)-2-benzylidene-N,7-dimethyl-3-oxo-5-phenyl- 5H-1,3-thiazolo[3,2-a]pyrimidine-6(3H)-carboxamide","","- C22 H19 N3 O2 S -","- C22 H19 N3 O2 S -","- C88 H76 N12 O8 S4 -","4","2","GA3031","B. Sridhar; K. Ravikumar; Y. S. Sadanandam","Dimorphism in (2<i>Z</i>)-2-benzylidene-<i>N</i>,7-dimethyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxamide","Acta Crystallographica Section C","2006","62","12","o687","o690","10.1107/S0108270106046567","","","0.71073","MoKα","","0.0673","0.0534","","","0.1311","0.1413","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015689","5.1109","0.0009","9.5564","0.0016","20.503","0.003","97.594","0.003","93.371","0.003","101.755","0.003","968","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2Z)-2-benzylidene-N,7-dimethyl-3-oxo-5-phenyl- 5H-1,3-thiazolo[3,2-a]pyrimidine-6(3H)-carboxamide","","- C22 H19 N3 O2 S -","- C22 H19 N3 O2 S -","- C44 H38 N6 O4 S2 -","2","1","GA3031","B. Sridhar; K. Ravikumar; Y. S. Sadanandam","Dimorphism in (2<i>Z</i>)-2-benzylidene-<i>N</i>,7-dimethyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxamide","Acta Crystallographica Section C","2006","62","12","o687","o690","10.1107/S0108270106046567","","","0.71073","MoKα","","0.0867","0.0673","","","0.1517","0.161","","","","","","1.282","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015690","7.9342","0.001","25.491","0.003","12.6874","0.0008","90","","97.639","0.008","90","","2543.3","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(thiazolidine-2-thione-κS^2^)gold(I) bis(4-chlorobenzenesulfonyl)amidate","","- C18 H18 Au Cl2 N3 O4 S6 -","- C18 H18 Au Cl2 N3 O4 S6 -","- C72 H72 Au4 Cl8 N12 O16 S24 -","4","1","GD3058","Jones, Peter G.; Friedrichs, Steffi","Secondary interactions in gold(I) complexes with thione ligands. 5. Two ionic compounds of the form bis(thione)gold(I) bis(4-halobenzenesulfonyl)amide","Acta Crystallographica Section C","2006","62","12","m623","m627","10.1107/S0108270106044143","","","0.71073","MoKα","","0.0561","0.0277","","","0.0486","0.0526","","","","","","0.832","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015691","17.4002","0.0014","10.1254","0.001","17.1493","0.0018","90","","111.596","0.008","90","","2809.3","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(1-methylimidazolidine-2-thione-κS^2^)gold(I) bis(4-iodobenzenesulfonyl)amidate","","- C20 H24 Au I2 N5 O4 S4 -","- C20 H24 Au I2 N5 O4 S4 -","- C80 H96 Au4 I8 N20 O16 S16 -","4","0.5","GD3058","Jones, Peter G.; Friedrichs, Steffi","Secondary interactions in gold(I) complexes with thione ligands. 5. Two ionic compounds of the form bis(thione)gold(I) bis(4-halobenzenesulfonyl)amide","Acta Crystallographica Section C","2006","62","12","m623","m627","10.1107/S0108270106044143","","","0.71073","MoKα","","0.0412","0.0261","","","0.0448","0.0474","","","","","","0.893","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015692","5.8327","0.0002","7.0099","0.0009","17.8751","0.0004","90","","94.59","0.1","90","","728.51","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Phenylalanine‒4-nitrophenol (1/1)","(2S)-2-ammonio-3-phenylpropanoate‒4-nitrophenol (1/1)","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C30 H32 N4 O10 -","2","1","GD3062","Rodrigues, V. H.; Costa, M. M. R. R.; Matos Gomes, E. de; Nogueira, E.; Belslsey, M. S","<small>L</small>-Phenylalanine‒4-nitrophenol (1/1)","Acta Crystallographica Section C","2006","62","12","o699","o701","10.1107/S0108270106049018","","","1.54184","CuKα","","0.0486","0.0423","","","0.1226","0.1397","","","","","","1.167","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015693","8.371","0.001","9.351","0.001","29.554","0.003","90","","90","","90","","2313.4","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","{4(S)-(Piperidin-1-ylcarbonyl)-4-[3- (trifluoromethyl)benzenesulfonamido]butyl}guanidinium chloride","","- C18 H27 Cl F3 N5 O3 S -","- C18 H27 Cl F3 N5 O3 S -","- C72 H108 Cl4 F12 N20 O12 S4 -","4","1","GG3050","Michaux, Catherine; Salvagnini, Claudio; Norberg, Bernadette; Marchand-Brynaert, Jacqueline; Wouters, Johan","{4(<i>S</i>)-(Piperidin-1-ylcarbonyl)-4-[3-(trifluoromethyl)phenylsulfonamido]butyl}guanidinium chloride: a model of a graftable thrombin inhibitor","Acta Crystallographica Section C","2006","62","12","o691","o693","10.1107/S0108270106047640","","","1.54178","CuKα","","0.0492","0.0459","","","0.1289","0.1324","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015694","7.853","0.0014","8.8695","0.0016","10.7901","0.0019","68.759","0.002","71.741","0.002","77.434","0.002","660.6","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Tetra-μ-chloro-1:2κ^4^Cl;1:3κ^4^Cl-dimethyl-2κC,3κC- tetrakis(tetrahydrofuran)-1κ^2^O,2κO,3κO-chromium(II)dizinc(II)","","- C18 H38 Cl4 Cr O4 Zn2 -","- C18 H38 Cl4 Cr O4 Zn2 -","- C18 H38 Cl4 Cr O4 Zn2 -","1","0.5","GZ3045","Kreisel, Kevin A.; Yap, Glenn P. A.; Theopold, Klaus H.","Tetra-μ-chloro-1:2κ^4^<i>Cl</i>;1:3κ^4^<i>Cl</i>-dimethyl-2κ<i>C</i>,3κ<i>C</i>-tetrakis(tetrahydrofuran)-1κ^2^<i>O</i>,2κ<i>O</i>,3κ<i>O</i>-chromium(II)dizinc(II)","Acta Crystallographica Section C","2006","62","12","m569","m570","10.1107/S0108270106041783","","","0.71073","MoKα","","0.0239","0.0226","","","0.0581","0.0592","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015695","7.6342","0.0003","25.7404","0.001","7.2444","0.0003","90","","100.857","0.003","90","","1398.1","0.1","102","2","102","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-methoxy-3-pyridylboronic acid","(2-Methoxy-3-pyridyl)boronic acid","","- C6 H8 B N O3 -","- C6 H8 B N O3 -","- C48 H64 B8 N8 O24 -","8","2","HJ3025","Dabrowski, Marek; Lulinski, Sergiusz; Serwatowski, Janusz; Szczerbinska, Magdalena","(2-Methoxy-3-pyridyl)boronic acid","Acta Crystallographica Section C","2006","62","12","o702","o704","10.1107/S0108270106048268","","","0.71073","MoKα","","0.0349","0.03","","","0.0885","0.0902","","","","","","1.11","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015696","5.399","0.001","12.179","0.002","6.852","0.001","90","","106.37","0.03","90","","432.28","0.14","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","barium yttrium silicate","barium diyttrium triscilicate","","- Ba O10 Si3 Y2 -","- Ba O10 Si3 Y2 -","- Ba2 O20 Si6 Y4 -","2","0.5","IZ3015","Kolitsch, Uwe; Wierzbicka, Maria; Tillmanns, Ekkehart","BaY~2~Si~3~O~10~: a new flux-grown trisilicate","Acta Crystallographica Section C","2006","62","12","i97","i99","10.1107/S010827010604203X","","","0.71073","MoKα","","0.017","0.0159","","","0.0399","0.0403","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015697","13.7572","0.001","17.8992","0.0013","18.873","0.0014","88.043","0.001","72.829","0.001","75.128","0.001","4287.1","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","bis[tris(2,2'-bipyridine)iron(II)] tetraaquatetra-μ~4~oxo-pentacosa-μ~2~oxo-undecaoxoiron(III)dodecatungsten(VI) dihydrate","","- C60 H60 Fe3 N12 Na O46 W12 -","- C60 H48 Fe3 N12 Na O46 W12 -","- C120 H96 Fe6 N24 Na2 O92 W24 -","2","1","LN3017","Li, Ming-Xue; Ma, Peng-Tao; Wang, Jing-Ping","Bis[tris(2,2'-bipyridine)iron(II)] tetraaquasodium(I) dodecatungstoferrate(III) dihydrate","Acta Crystallographica Section C","2006","62","12","m604","m606","10.1107/S0108270106042508","","","0.71073","MoKα","","0.0721","0.0436","","","0.0857","0.095","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015698","7.852","0.002","20.795","0.002","9.987","0.003","90","","106.684","0.004","90","","1562.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4,4'-H2bipy)(CdBr4)","4,4'-Bipyridinium tetrabromocadmate(II)","","- C10 H10 Br4 Cd N2 -","- C10 H10 Br4 Cd N2 -","- C40 H40 Br16 Cd4 N8 -","4","1","LN3023","Wen-Tong Chen; Xi-Rui Zeng; Xiao-Niu Fang; Xin-Fa Li; Han-Mao Kuang","4,4'-Bipyridinium tetrabromocadmate(II) with strong fluorescence","Acta Crystallographica Section C","2006","62","12","m571","m573","10.1107/S010827010604131X","","","0.71073","MoKα","","0.081","0.0514","","","0.1232","0.137","","","","","","0.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015699","6.8117","0.0004","7.4177","0.0004","8.6722","0.0004","109.167","0.002","105.528","0.003","103.121","0.003","374.15","0.04","295","","293","","","","","","","","","5","P -1","-P 1","2","","catena-poly[[di-μ-chloro-κ^2^1:2-μ-1,5-dimethyl-1H-tetrazole- κ^2^N^3^:N^4^]copper(II)]","","- C3 H6 Cl2 Cu N4 -","- C3 H6 Cl2 Cu N4 -","- C6 H12 Cl4 Cu2 N8 -","2","1","LN3024","Ivashkevich, Ludmila S.; Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Oleg A.; Tiutiunnikov, Sergey I.; Efimov, Vadim V.","An X-ray powder investigation of <i>catena</i>-poly[copper(II)-di-μ-chloro-κ^4^1:2<i>Cl</i>-μ-1,5-dimethyl-1<i>H</i>-tetrazole-κ^2^<i>N</i>^3^:<i>N</i>^4^]","Acta Crystallographica Section C","2006","62","12","m607","m609","10.1107/S0108270106043125","","","1.79021","CoKα","","","","","","","","","","0.76","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015700","14.786","0.004","15.816","0.004","13.879","0.003","98.15","0.02","109.047","0.019","114.12","0.02","2653.9","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","μ-[1,4-phenylenebis(phenylmethylidene-κC)]bis[(ethanol-κO)(5,10,15,20- tetra-p-tolylporphyrinato-κ^4^N)ruthenium(II)] 1,2-dichloroethane trisolvate","","- C126 H110 Cl6 N8 O2 Ru2 -","- C126 H110 Cl6 N8 O2 Ru2 -","- C126 H110 Cl6 N8 O2 Ru2 -","1","0.5","MY3011","Yuge, Hidetaka; Miyamoto, Takeshi Ken; Kikuchi, Tomofumi; Iwasaki, Yukihiro","The first metalloporphyrin dimer linked by a bridging phenylenedicarbene ligand","Acta Crystallographica Section C","2006","62","12","m594","m596","10.1107/S0108270106043472","","","0.71069","MoKα","","0.1029","0.0482","","","0.1186","0.1405","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015701","7.2409","0.0001","9.6351","0.0002","11.438","0.00001","87.815","0.001","71.7","0.001","74.844","0.001","730.44","0.019","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua(di-2-pyridylamine-κ^2^N,N')(malonato-κ^2^O,O')copper(II) monohydrate","","- C13 H15 Cu N3 O6 -","- C13 H15 Cu N3 O6 -","- C26 H30 Cu2 N6 O12 -","2","1","SF3018","Youngme, Sujittra; Phatchimkun, Jaturong; Chaichit, Narongsak","Aqua(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(malonato-κ^2^<i>O</i>,<i>O</i>')copper(II) monohydrate","Acta Crystallographica Section C","2006","62","12","m602","m603","10.1107/S0108270106042867","","","0.71073","MoKα","","0.0398","0.0342","","","0.0982","0.1013","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015702","7.2546","0.0006","9.4922","0.0008","19.4571","0.0016","90","","90","","90","","1339.86","0.19","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quinolinium hydrogen L-(+)-tartrate monohydrate","quinolinium hydrogen (2R),3R)-tartrate monohydrate","","- C13 H15 N O7 -","- C13 H15 N O7 -","- C52 H60 N4 O28 -","4","1","SF3023","Graham Smith; Urs D. Wermuth; Jonathan M. White","Proton-transfer and non-transfer in compounds of quinoline and quinaldic acid with <small>L</small>-tartaric acid","Acta Crystallographica Section C","2006","62","12","o694","o698","10.1107/S0108270106045136","","","0.71073","MoKα","","0.0391","0.0354","","","0.0855","0.0879","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015703","4.973","0.0012","10.446","0.003","11.655","0.004","100.95","0.005","98.903","0.006","106.388","0.005","556.2","0.3","130","2","130","2","","","","","","","","4","P 1","P 1","1","quinaldic acid-L-(+)-tartaric acid (2/1)","bis(quinolinium-2-carboxylate) (2R,3R)-tartaric acid","","- C24 H20 N2 O10 -","- C24 H20 N2 O10 -","- C24 H20 N2 O10 -","1","1","SF3023","Graham Smith; Urs D. Wermuth; Jonathan M. White","Proton-transfer and non-transfer in compounds of quinoline and quinaldic acid with <small>L</small>-tartaric acid","Acta Crystallographica Section C","2006","62","12","o694","o698","10.1107/S0108270106045136","","","0.71073","MoKα","","0.0422","0.0415","","","0.1046","0.1051","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015704","11.8781","0.0018","7.2993","0.001","16.088","0.002","90","","96.353","0.005","90","","1386.3","0.3","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Acetyl-3-ferrocenyl-5-methyl-1H-pyrazole","","- C16 H16 Fe N2 O -","- C16 H16 Fe N2 O -","- C64 H64 Fe4 N8 O4 -","4","1","SK3053","Yao-Cheng Shi; Bei-Bei Zhu; Chun-Xia Sui","1-Acetyl-3-ferrocenyl-5-methyl-1<i>H</i>-pyrazole and 1-acetyl-5-ferrocenyl-3-(2-pyridyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2006","62","12","m577","m580","10.1107/S0108270106043599","","","0.7107","MoKα","","0.0371","0.034","","","0.0766","0.0784","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015705","7.479","0.0015","8.929","0.0018","24.942","0.003","90","","94.84","0.03","90","","1659.7","0.5","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Acetyl-5-ferrocenyl-3-(2-pyridyl)-1H-pyrazole","","- C20 H17 Fe N3 O -","- C20 H17 Fe N3 O -","- C80 H68 Fe4 N12 O4 -","4","1","SK3053","Yao-Cheng Shi; Bei-Bei Zhu; Chun-Xia Sui","1-Acetyl-3-ferrocenyl-5-methyl-1<i>H</i>-pyrazole and 1-acetyl-5-ferrocenyl-3-(2-pyridyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2006","62","12","m577","m580","10.1107/S0108270106043599","","","0.71073","MoKα","","0.0666","0.0461","","","0.0997","0.109","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015706","4.7858","0.0007","9.2295","0.0015","25.447","0.003","87.469","0.012","89.288","0.011","89.931","0.012","1122.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2-Hydroxy-3-(3-oxobutyl)-naphthalene-1,4-dione","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","2","SK3066","Nasiri, Hamid Reza; Madej, M. Gregor; Lancaster, C. Roy D.; Schwalbe, Harald; Bolte, Michael","2-Hydroxy-3-(3-oxobutyl)naphthalene-1,4-dione","Acta Crystallographica Section C","2006","62","12","o671","o673","10.1107/S0108270106042211","","","0.71073","MoKα","","0.1123","0.0873","","","0.2544","0.2819","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015707","5.8107","0.0002","13.6635","0.0003","15.4507","0.0005","90","","90","","90","","1226.7","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-threo-3-hydroxy-1,2-diphenylpropionic acid","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","SK3072","Stomberg, Rolf; Langer, Vratislav; Lundquist, Knut","2,3-Diaryl-3-hydroxypropionic acid intermediates in the synthesis of <i>threo</i> forms of 1,2-diaryl-1,3-propanediols","Acta Crystallographica Section C","2006","62","12","o684","o686","10.1107/S0108270106046026","","","0.71073","MoKα","","0.0472","0.0354","","","0.0812","0.0891","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015708","8.1558","0.0005","8.1558","0.0005","26.171","0.004","90","","90","","120","","1507.6","0.3","193","2","193","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","zinc hydrogen borate oxide","zinc hydrogen borate oxide","","- B3 H O11 Zn6 -","- B3 H O11 Zn6 -","- B18 H6 O66 Zn36 -","6","0.166667","SQ3040","Massa, Werner; Yakubovich, Olga V.; Dimitrova, Olga V.","Proton-stabilized three-dimensional anionic framework in H[Zn~6~O~2~(BO~3~)~3~]","Acta Crystallographica Section C","2006","62","12","i106","i108","10.1107/S0108270106041023","","","0.71073","MoKα","","0.0207","0.0193","","","0.0432","0.0435","","","","","","1.253","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015709","10.023","0.003","13.084","0.003","12.317","0.003","90","","102.328","0.004","90","","1578","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{μ-N,N'-Bis[3-(dimethylamino)propyl]oxamidato(2-)- κ^6^N,N',O':N'',N''',O}bis[(1H-imidazole-κN^3^)(methanol-κO)copper(II)] bis(perchlorate)","","- C20 H40 Cl2 Cu2 N8 O12 -","- C20 H40 Cl2 Cu2 N8 O12 -","- C40 H80 Cl4 Cu4 N16 O24 -","2","0.5","SQ3043","Fen Sun; Yan-Tuan Li; Zhi-Yong Wu; Yu-Lan Song; Man Jiang","{μ-<i>N</i>,<i>N</i>'-Bis[3-(dimethylamino)propyl]oxamidato(2‒)-κ^6^<i>N</i>,<i>N</i>',<i>O</i>':<i>N</i>'',<i>N</i>''',<i>O</i>}bis[(1<i>H</i>-imidazole-κ<i>N</i>^3^)(methanol-κ<i>O</i>)copper(II)] bis(perchlorate)","Acta Crystallographica Section C","2006","62","12","m584","m586","10.1107/S0108270106042624","","","0.71073","MoKα","","0.0758","0.0446","","","0.1017","0.1173","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015710","6.001","0.002","13.91","0.003","15.862","0.003","90","","94.989","0.005","90","","1319","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carbonitrile","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","SQ3047","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Lucas F. Hastings","5-Acetyl-2-amino-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-benzoyl-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile acetonitrile solvate","Acta Crystallographica Section C","2006","62","12","o705","o708","10.1107/S010827010604844X","","","0.71073","MoKα","","0.0707","0.0454","","","0.1129","0.1284","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015711","8.273","0.002","9.313","0.002","13.881","0.003","73.376","0.007","82.308","0.006","72.856","0.007","977.8","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-amino-5-benzoyl-6-methyl-4-phenyl-4H-pyran-3-carbonitrile acetonitrile solvate","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C44 H38 N6 O4 -","2","1","SQ3047","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Lucas F. Hastings","5-Acetyl-2-amino-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-benzoyl-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile acetonitrile solvate","Acta Crystallographica Section C","2006","62","12","o705","o708","10.1107/S010827010604844X","","","0.71073","MoKα","","0.0639","0.0435","","","0.1176","0.1326","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015712","5.6035","0.0011","8.9812","0.0018","12.119","0.002","86.31","0.03","77.38","0.03","77.56","0.03","581.1","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Poly[[di-μ~3~-acetato-di-μ~2~-aqua-diaqua-di-μ~3~-hydroxo-tricopper(II)] 1,5-naphthalenedisulfonate]","","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","1","0.5","SQ3048","Kong, Li-Li; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Poly[[di-μ~3~-acetato-di-μ~2~-aqua-diaqua-di-μ~3~-hydroxo-tricopper(II)] naphthalene-1,5-disulfonate]","Acta Crystallographica Section C","2006","62","12","m632","m634","10.1107/S0108270106046944","","","0.71073","MoKα","","0.0209","0.0193","","","0.0522","0.0528","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019335","7.7228","0.0004","14.2576","0.0008","18.7153","0.001","90","","90","","90","","2060.72","0.19","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Z-17alpha-Propenyl-3,3-trimethylenedioxy-estr-5(10)-ene-17-ole","","- C24 H36 O3 -","- C24 H36 O3 -","- C96 H144 O12 -","4","1","CN5008","Dittrich, B.; Strumpel, M.; Schäfer, M.; Spackman, M. A.; Koritsánszky, T.","Invarioms for improved absolute structure determination of light-atom crystal structures","Acta Crystallographica Section A Foundations of Crystallography","2006","62","3","217","223","10.1107/S0108767306010336","","","1.54178","CuKα","","0.0497","0.0381","","","","0.0363","","","","","","1.2396","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2100345","7.785","0.002","6.43","0.03","6.254","0.003","90","","90","0.02","90","","313.1","1.5","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","trimethylsilyl chloride","chlorotrimethylsilane","","- C3 H9 Cl Si -","- C3 H9 Cl Si -","- C6 H18 Cl2 Si2 -","2","0.5","AV5043","Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak","Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs","Acta Crystallographica Section B","2006","62","1","86","93","10.1107/S0108768105037766","","","0.71073","MoKα","","0.0423","0.0324","","","0.0779","0.0831","","","","","","1.011","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100346","7.768","0.002","6.42","0.02","6.233","0.002","90","","90","","90","","310.8","1","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","trimethylsilyl chloride","chlorotrimethylsilane","","- C3 H9 Cl Si -","- C3 H9 Cl Si -","- C6 H18 Cl2 Si2 -","2","0.5","AV5043","Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak","Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs","Acta Crystallographica Section B","2006","62","1","86","93","10.1107/S0108768105037766","","","0.71073","MoKα","","0.0346","0.0319","","","0.0807","0.0821","","","","","","1.218","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100347","7.668","0.002","6.34","0.02","6.159","0.002","90","","90","0.02","90","","299.4","1","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","trimethylsilyl chloride","chlorotrimethylsilane","","- C3 H9 Cl Si -","- C3 H9 Cl Si -","- C6 H18 Cl2 Si2 -","2","0.5","AV5043","Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak","Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs","Acta Crystallographica Section B","2006","62","1","86","93","10.1107/S0108768105037766","","","0.71073","MoKα","","0.0407","0.0391","","","0.0912","0.0922","","","","","","1.272","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100348","7.287","0.006","9.2","0.02","6.688","0.009","90","","90","","90","","448.4","1.2","296","2","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","AV5045","Budzianowski, Armand; Katrusiak, Andrzej","Pressure-frozen benzene I revisited","Acta Crystallographica Section B","2006","62","1","94","101","10.1107/S010876810503747X","","","0.71073","MoKα","","0.2023","0.053","","","0.1097","0.1355","","","","","","1.03","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100349","7.221","0.004","9.05","0.02","6.59","0.005","90","","90","","90","","430.7","1","296","2","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","AV5045","Budzianowski, Armand; Katrusiak, Andrzej","Pressure-frozen benzene I revisited","Acta Crystallographica Section B","2006","62","1","94","101","10.1107/S010876810503747X","","","0.71073","MoKα","","0.1754","0.1418","","","0.2351","0.2476","","","","","","1.013","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100350","7.243","0.003","9.31","0.017","6.756","0.003","90","","90","","90","","455.6","0.9","296","2","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","AV5045","Budzianowski, Armand; Katrusiak, Andrzej","Pressure-frozen benzene I revisited","Acta Crystallographica Section B","2006","62","1","94","101","10.1107/S010876810503747X","","","0.71073","MoKα","","0.1316","0.1316","","","0.2949","0.2949","","","","","","1.295","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100351","11.757","0.0011","29.752","0.002","6.5547","0.0005","90","","90","","90","","2292.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.0782","0.0641","","","0.1304","0.1381","","","","","","1.082","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100352","11.7903","0.0011","29.728","0.002","6.5519","0.0005","90","","90","","90","","2296.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.0857","0.0705","","","0.1413","0.15","","","","","","1.047","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100353","11.847","0.0013","29.649","0.003","6.5443","0.0006","90","","90","","90","","2298.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.1038","0.0833","","","0.1922","0.2082","","","","","","1.082","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100354","11.8971","0.0015","29.579","0.003","6.535","0.0007","90","","90","","90","","2299.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.109","0.0848","","","0.197","0.2179","","","","","","1.063","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100355","11.9628","0.0018","29.503","0.004","6.5269","0.0008","90","","90","","90","","2303.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.1213","0.0976","","","0.2353","0.2562","","","","","","1.084","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100356","12.053","0.002","29.385","0.006","6.5093","0.001","90","","90","","90","","2305.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.1466","0.1193","","","0.2922","0.3185","","","","","","1.14","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100357","12.14","0.003","29.258","0.006","6.4918","0.0011","90","","90","","90","","2305.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.1387","0.1126","","","0.2721","0.2971","","","","","","1.138","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100358","12.364","0.003","28.956","0.006","6.4582","0.0011","90","","90","","90","","2312.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.1107","0.088","","","0.2096","0.2295","","","","","","1.107","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100359","12.4079","0.0016","28.861","0.003","6.4428","0.0007","90","","90","","90","","2307.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.0993","0.0815","","","0.1903","0.2054","","","","","","1.088","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100360","12.4288","0.0013","28.809","0.003","6.4326","0.0006","90","","90","","90","","2303.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.0978","0.0779","","","0.1807","0.198","","","","","","1.055","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100361","12.4407","0.0012","28.779","0.002","6.4272","0.0006","90","","90","","90","","2301.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.0934","0.077","","","0.1831","0.1979","","","","","","1.057","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100362","12.4509","0.0011","28.753","0.002","6.4239","0.0005","90","","90","","90","","2299.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","","","Acta Crystallographica, Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.0911","0.0747","","","0.1819","0.1961","","","","","","1.069","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"2100363","12.4537","0.001","28.749","0.002","6.424","0.0005","90","","90","","90","","2300","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","","","Acta Crystallographica, Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.097","0.0793","","","0.1856","0.2008","","","","","","1.072","","","","has coordinates,has disorder","201972","2020-10-21","18:00:00",""
"2100364","7.67637","0.00012","7.64297","0.00012","7.71137","0.00012","90","","90.042","0.002","90","","452.428","0.012","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Al0.1 Nd0.7 O3 Ti0.9 -","- Al0.1 Nd0.7 O3 Ti0.9 -","- Al0.8 Nd5.6 O24 Ti7.2 -","8","1","BK5024","Zhang, Zhaoming; Howard, Christopher J.; Knight, Kevin S.; Lumpkin, Gregory R.","Structures of the cation-deficient perovskite Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder diffraction in combination with group-theoretical analysis","Acta Crystallographica Section B","2006","62","1","60","67","10.1107/S0108768105041066","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100365","7.71021","0.00011","7.69428","0.00011","7.74755","0.0001","90","","90","","90","","459.62","0.011","","","","","","","","","","","","4","C m m m","-C 2 2","65","","","","- Al0.1 Nd0.7 O3 Ti0.9 -","- Al0.1 Nd0.7 O3 Ti0.9 -","- Al0.8 Nd5.6 O24 Ti7.2 -","8","0.5","BK5024","Zhang, Zhaoming; Howard, Christopher J.; Knight, Kevin S.; Lumpkin, Gregory R.","Structures of the cation-deficient perovskite Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder diffraction in combination with group-theoretical analysis","Acta Crystallographica Section B","2006","62","1","60","67","10.1107/S0108768105041066","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100366","7.3325","0.0018","8.999","0.002","12.221","0.003","78.65","0.01","74.39","0.01","74.23","0.01","740.7","0.3","174","2","174","2","","","","","","","","5","P -1","-P 1","2","Chloroxynil","3,5-dichloro-4-hydroxybenzonitrile","","- C7 H3 Cl2 N O -","- C7 H3 Cl2 N O -","- C28 H12 Cl8 N4 O4 -","4","2","DE5020","Britton, Doyle","3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates","Acta Crystallographica Section B","2006","62","1","109","117","10.1107/S0108768105038267","","","0.71073","MoKα","","0.071","0.04","","","0.084","0.095","","","","","","1.05","","","","has coordinates,has Fobs","287988","2023-12-04","14:07:34",""
"2100367","7.42","0.002","8.386","0.002","8.808","0.002","73.82","0.01","66.99","0.01","79.04","0.01","482.4","0.2","174","2","174","2","","","","","","","","5","P -1","-P 1","2","","3,5-dichloro-4-hydroxybenzonitrile / 1/2 benzene","","- C10 H6 Cl2 N O -","- C10 H6 Cl2 N O -","- C20 H12 Cl4 N2 O2 -","2","1","DE5020","Britton, Doyle","3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates","Acta Crystallographica Section B","2006","62","1","109","117","10.1107/S0108768105038267","","","0.71073","MoKα","","0.026","0.025","","","0.074","0.075","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100368","4.5522","0.0011","15.067","0.004","13.636","0.003","90","","98","0.01","90","","926.2","0.4","174","2","174","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,5-dichloro-4-hydroxybenzonitrile / 1/4 p-xylene","","- C9 H5.5 Cl2 N O -","- C9 H5.5 Cl2 N O -","- C36 H22 Cl8 N4 O4 -","4","1","DE5020","Britton, Doyle","3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates","Acta Crystallographica Section B","2006","62","1","109","117","10.1107/S0108768105038267","","","0.71073","MoKα","","0.07","0.048","","","0.075","0.079","","","","","","1.22","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2100369","8.244","0.002","9.12","0.002","11.687","0.003","95.6","0.01","108.55","0.01","106.13","0.01","783.4","0.3","174","2","174","2","","","","","","","","5","P -1","-P 1","2","Bromoxynil","3,5-dibromo-4-hydroxybenzonitrile - polymorph A","","- C7 H3 Br2 N O -","- C7 H3 Br2 N O -","- C28 H12 Br8 N4 O4 -","4","2","DE5020","Britton, Doyle","3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates","Acta Crystallographica Section B","2006","62","1","109","117","10.1107/S0108768105038267","","","0.71073","MoKα","","0.046","0.035","","","0.076","0.079","","","","","","1.09","","","","has coordinates,has Fobs","287988","2023-12-04","14:07:37",""
"2100370","3.9684","0.001","12.669","0.003","16.047","0.004","79.68","0.01","83.71","0.01","83.06","0.01","784.7","0.3","174","2","174","2","","","","","","","","5","P -1","-P 1","2","Bromoxynil","3,5-dibromo-4-hydroxybenzonitrile","","- C7 H3 Br2 N O -","- C7 H3 Br2 N O -","- C28 H12 Br8 N4 O4 -","4","2","DE5020","Britton, Doyle","3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates","Acta Crystallographica Section B","2006","62","1","109","117","10.1107/S0108768105038267","","","0.71073","MoKα","","0.057","0.047","","","0.117","0.12","","","","","","1.09","","","","has coordinates","287988","2023-12-04","14:07:37",""
"2100371","8.648","0.002","9.393","0.002","12.12","0.002","97.32","0.01","109.86","0.01","105.59","0.01","865.5","0.3","174","2","174","2","","","","","","","","5","P -1","-P 1","2","Iodoxynil","3,5-diiodo-4-hydroxybenzonitrile / polymorph A","","- C7 H3 I2 N O -","- C7 H3 I2 N O -","- C28 H12 I8 N4 O4 -","4","2","DE5020","Britton, Doyle","3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates","Acta Crystallographica Section B","2006","62","1","109","117","10.1107/S0108768105038267","","","0.71073","MoKα","","0.073","0.05","","","0.093","0.099","","","","","","1.14","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100372","15.657","0.004","14.32","0.004","7.724","0.002","90","","91.9","0.01","90","","1730.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Iodoxynil","3,5-diiodo-4-hydroxybenzonitrile / polymorph C","","- C7 H3 I2 N O -","- C7 H3 I2 N O -","- C56 H24 I16 N8 O8 -","8","2","DE5020","Britton, Doyle","3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates","Acta Crystallographica Section B","2006","62","1","109","117","10.1107/S0108768105038267","","","0.71073","MoKα","","0.024","0.02","","","0.044","0.046","","","","","","1.04","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100373","32.3","","32.3","","12.4","","90","","90","","120","","11203.6","","","","293","2","","","","","","","","2","P 63/m m c","-P_6c_2c","","","","","- Al596 Cr156 -","- Al24.8333 Cr6.5 -","- Al596 Cr156 -","24","1","DR5007","Zhang, H.; He, Z.B.; Oleynikov, P.; Zou, X. D.; Hovmöller, S.; Kuo, K. H.","Structure model for the τ(μ) phase in Al‒Cr‒Si alloys deduced from the λ phase by the strong-reflections approach","Acta Crystallographica Section B","2006","62","1","16","25","10.1107/S0108768105035779","","","0.037","Electrons","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100374","8.9243","0.0018","10.72","0.002","14.295","0.003","91.41","0.03","100.75","0.03","108.85","0.03","1266.2","0.5","115","2","115","2","","","","","","","","5","P -1","-P 1","2","Kinetin ortophospate acid","","","- C10 H12 N5 O5 P -","- C10 H12 N5 O5 P -","- C40 H48 N20 O20 P4 -","4","2","GP5001","Ślósarek, G.; Kozak, M.; Gierszewski, J.; Pietraszko, A.","Structure of <i>N</i>^6^-furfurylaminopurine (kinetin) dihydrogenphosphate","Acta Crystallographica Section B","2006","62","1","102","108","10.1107/S010876810502673X","","","0.71073","MoKα","","0.058","0.0434","","","0.1072","0.119","","","","","","1.22","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100375","4.4923","0.0009","10.736","0.002","14.455","0.003","91","0.03","100.92","0.03","108.47","0.03","647","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","KINETINE ORTOPHOSPHATE ACID","","","- C10 H12 N5 O5 P -","- C10 H12 N5 O5 P -","- C20 H24 N10 O10 P2 -","2","1","GP5001","Ślósarek, G.; Kozak, M.; Gierszewski, J.; Pietraszko, A.","Structure of <i>N</i>^6^-furfurylaminopurine (kinetin) dihydrogenphosphate","Acta Crystallographica Section B","2006","62","1","102","108","10.1107/S010876810502673X","","","0.71073","MoKα","","0.0816","0.056","","","0.1222","0.1373","","","","","","1.212","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100376","7.269","0.001","7.709","0.002","8.403","0.002","67.01","0.03","68.03","0.03","72","0.03","394.61","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridinium bromide","","- C7 H7 Br N2 O -","- C7 H7 Br N2 O -","- C14 H14 Br2 N4 O2 -","2","1","GP5003","Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I.","Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP","Acta Crystallographica Section B","2006","62","1","135","142","10.1107/S0108768105033884","","","0.71073","MoKα","","0.0239","0.0196","","","0.0487","0.0499","","","","","","1.02","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100377","7.359","0.001","12.987","0.003","8.159","0.002","90","","105.95","0.03","90","","749.7","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-[Methoxy-(2-nitro-phenyl)-methyl]-2-oxo-3H-imidazo[1,2-a]pyridinium bromide","","- C15 H14 Br N3 O4 -","- C15 H14 Br N3 O4 -","- C30 H28 Br2 N6 O8 -","2","1","GP5003","Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I.","Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP","Acta Crystallographica Section B","2006","62","1","135","142","10.1107/S0108768105033884","","","0.71073","MoKα","","0.0318","0.0278","","","0.0507","0.0518","","","","","","0.964","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100378","8.851","0.002","10.014","0.002","15.895","0.003","90","","90","","90","","1408.8","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(4-Methoxy-benzyliden)-2-oxo-2,3-dihydro-1H-imidazo[1,2-a] pyridinium bromide","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C60 H52 Br4 N8 O8 -","4","1","GP5003","Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I.","Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP","Acta Crystallographica Section B","2006","62","1","135","142","10.1107/S0108768105033884","","","0.71073","MoKα","","0.0584","0.0474","","","0.1095","0.117","","","","","","0.982","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100379","7.2569","0.0017","7.4263","0.0018","9.593","0.002","90","","98.606","0.004","90","","511.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-formyl-3-thiosemicarbazide","1-formyl-3-thiosemicarbazide","","- C2 H5 N3 O S -","- C2 H5 N3 O S -","- C8 H20 N12 O4 S4 -","4","1","LC5030","Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R.","Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study","Acta Crystallographica Section B","2006","62","1","118","127","10.1107/S0108768105033689","","","0.71073","MoKα","","0.0302","0.0288","","","0.0752","0.0764","","","","","","1.075","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100380","7.2339","0.0005","7.3703","0.0005","9.4771","0.0007","90","","98.426","0.001","90","","499.83","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-formyl-3-thiosemicarbazide","1-formyl-3-thiosemicarbazide","","- C2 H5 N3 O S -","- C2 H5 N3 O S -","- C8 H20 N12 O4 S4 -","4","1","LC5030","Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R.","Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study","Acta Crystallographica Section B","2006","62","1","118","127","10.1107/S0108768105033689","","","0.71073","MoKα","","0.0251","0.0245","","","0.0648","0.0653","","","","","","1.079","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100381","7.2359","0.0003","7.3713","0.0003","9.4768","0.0004","90","","98.403","0.002","90","","500.05","0.04","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Formyl-3-thiosemicarbazide","1-formyl-3-thiosemicarbazide","","- C2 H5 N3 O S -","- C2 H5 N3 O S -","- C8 H20 N12 O4 S4 -","4","1","LC5030","Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R.","Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study","Acta Crystallographica Section B","2006","62","1","118","127","10.1107/S0108768105033689","","","0.71073","MoKα","","0.0188","0.0142","","","","0.0146","","","","","","1.5596","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100382","6.138","0.002","8.874","0.003","11.702","0.004","90","","103.05","0.03","90","","620.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","para-nitrophenol","4-nitrophenol","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","NS0011","Wójcik, Grażyna; Mossakowska, Izabela","Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol","Acta Crystallographica Section B","2006","62","1","143","152","10.1107/S010876810503418X","","","0.71073","MoKα","","0.0632","0.0465","","","0.1243","0.1383","","","","","","1.079","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100383","6.136","0.001","8.8","0.001","11.481","0.003","90","","103.4","0.02","90","","603.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","para-nitrophenol","4-nitrophenol","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","NS0011","Wójcik, Grażyna; Mossakowska, Izabela","Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol","Acta Crystallographica Section B","2006","62","1","143","152","10.1107/S010876810503418X","","","0.71073","MoKα","","0.0377","0.0329","","","0.0914","0.0953","","","","","","1.076","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100384","6.146","0.001","8.903","0.002","11.763","0.005","90","","103.09","0.03","90","","626.9","0.3","333","2","333","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","para-nitrophenol","4-nitrophenol","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","NS0011","Wójcik, Grażyna; Mossakowska, Izabela","Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol","Acta Crystallographica Section B","2006","62","1","143","152","10.1107/S010876810503418X","","","0.71073","MoKα","","0.0668","0.048","","","0.1452","0.1667","","","","","","1.088","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100385","3.774","0.001","11.147","0.004","14.695","0.003","90","","92.6","0.02","90","","617.6","0.3","293","2","302","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","para-nitrophenol","4-nitrophenol","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","NS0011","Wójcik, Grażyna; Mossakowska, Izabela","Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol","Acta Crystallographica Section B","2006","62","1","143","152","10.1107/S010876810503418X","","","0.71073","MoKα","","0.0976","0.0734","","","0.1865","0.2012","","","","","","1.188","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100386","3.678","0.001","11.091","0.002","14.627","0.003","90","","92.75","0.03","90","","596","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","para-nitrophenol","4-nitrophenol","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","NS0011","Wójcik, Grażyna; Mossakowska, Izabela","Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol","Acta Crystallographica Section B","2006","62","1","143","152","10.1107/S010876810503418X","","","0.71073","MoKα","","0.0426","0.0378","","","0.0994","0.1043","","","","","","1.049","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100387","3.831","0.001","11.093","0.002","14.835","0.003","90","","93.45","0.03","90","","629.3","0.2","375","2","375","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","para-nitrophenol","4-nitrophenol","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","NS0011","Wójcik, Grażyna; Mossakowska, Izabela","Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol","Acta Crystallographica Section B","2006","62","1","143","152","10.1107/S010876810503418X","","","0.71073","MoKα","","0.107","0.0776","","","0.2549","0.2937","","","","","","1.158","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100388","3.58651","0.00008","3.58651","0.00008","5.16658","0.00015","90","","90","","90","","66.458","0.003","298","","298","","","","","","","","","3","P 42/n m c","P 4n 2n -1n","137","zirconium oxide","zirconium oxide","","- Hf0.006 O1.968 Zr0.994 -","- M O1.968 -","- M2 O3.936 -","2","","OG5013","Yashima, Masatomo; Tsunekawa, Shin","Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles","Acta Crystallographica, Section B","2006","62","1","161","164","10.1107/S0108768105030570","","","","monochromatizedsynchrotronX-ray1.20200","","","","","","","","","","1.3","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100389","3.58651","0.00008","3.58651","0.00008","5.16658","0.00008","90","","90","","90","","66.46","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","","","?","- M2 O3.936 -","- M2 O3.936 -","","","OG5013","Yashima, Masatomo; Tsunekawa, Shin","Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles","Acta Crystallographica, Section B","2006","62","1","161","164","10.1107/S0108768105030570","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100390","8.5992","0.0007","10.1263","0.0007","10.0412","0.0007","90","","98.364","0.004","90","","865.07","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","N,N-di(benzyl-d~7~)-1-cyclohexenecarbothioamide","N,N-di(benzyl-d~7~)-1-cyclohexenecarbothioamide","","- C21 H9 D14 N S -","- C21 H23 N S -","- C42 H46 N2 S2 -","2","1","OG5014","Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo","Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state","Acta Crystallographica Section B","2006","62","1","153","160","10.1107/S0108768105038656","","","0.71073","MoKα","","0.0278","0.0272","","","0.0616","0.0619","","","","","","1.074","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100391","8.7075","0.0005","10.2068","0.0006","10.0908","0.0009","90","","99.909","0.003","90","","883.45","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","N,N-di(benzyl-d~7~)-1-cyclohexenecarbothioamide","N,N-di(benzyl-d~7~)-1-cyclohexenecarbothioamide & (3S)-2-benzyl-d~7~-3-phenyl-d~5~-2-azaspiro[3.5]nonane-3,5-d~2~-1-thione","","- C21 H9 D14 N S -","- C21 H23 N S -","- C42 H46 N2 S2 -","2","1","OG5014","Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo","Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state","Acta Crystallographica Section B","2006","62","1","153","160","10.1107/S0108768105038656","","","0.71073","MoKα","","0.0436","0.0427","","","0.1147","0.1158","","","","","","1.062","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100392","8.9117","0.0011","10.5512","0.0017","10.3463","0.0013","90","","102.589","0.008","90","","949.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","N,N-di(benzyl-d~7~)-1-cyclohexenecarbothioamide","N,N-di(benzyl-d~7~)-1-cyclohexenecarbothioamide & (3R,5R)-2-benzyl-d~7~-3-phenyl-d~5~-2-azaspiro[3.5]nonane-3,5-d~2~-1-thione","","- C21 H9 D14 N S -","- C21 H9 D14 N S -","- C42 H18 D28 N2 S2 -","2","1","OG5014","Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo","Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state","Acta Crystallographica Section B","2006","62","1","153","160","10.1107/S0108768105038656","","neutron","1.51","neutron","","0.0793","0.0792","","","0.1967","0.1967","","","","","","1.079","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100393","6.56","0.001","23.057","0.005","6.978","0.001","90","","90.08","0.03","90","","1055.4","0.3","293","2","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","RUB-30 as-synthesized","","","- H8.6 K2.6 Li9.4 O42.3 Si16 -","- K4.174 Li10.28 O39.84 Si16 -","- K4.174 Li10.28 O39.84 Si16 -","1","0.25","SN5028","Park, So-Hyun; Boysen, Hans; Parise, John B.","Structural disorder of a new zeolite-like lithosilicate, K~2.6~Li~5.4~[Li~4~Si~16~O~38~]·4.3H~2~O","Acta Crystallographica Section B","2006","62","1","42","51","10.1107/S0108768105038784","","","0.643","synchrotronX-ray(X3a1,NSLSatBNL)","","0.0965","0.092","","","0.2473","0.2544","","","","","","0.86","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100394","15.5404","0.0006","15.5404","0.0006","14.8191","0.0011","90","","90","","90","","3578.9","0.3","293","2","293","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C48 H108 O20 P4 Re4 U -","- C48 H108 O20 P4 Re4 U -","- C96 H216 O40 P8 Re8 U2 -","2","0.125","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0447","0.0387","","","0.0955","0.0989","","","","","","1.088","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100395","21.5289","0.0015","21.9148","0.0016","14.8288","0.0011","90","","90","","90","","6996.3","0.9","230","2","230","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C48 H108 O20 P4 Re4 U -","- C48 H108 O20 P4 Re4 U -","- C192 H432 O80 P16 Re16 U4 -","4","0.5","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0302","0.0273","","","0.0655","0.0675","","","","","","1.12","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100396","21.4344","0.0015","21.7929","0.0015","14.7782","0.001","90","","90","","90","","6903.2","0.8","165","2","165","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C48 H108 O20 P4 Re4 U -","- C48 H108 O20 P4 Re4 U -","- C192 H432 O80 P16 Re16 U4 -","4","0.5","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0276","0.0252","","","0.0621","0.065","","","","","","1.111","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100397","21.4","0.02","21.68","0.02","14.78","0.02","90","","90","0.03","90","","6857","13","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H108 O20 P4 Re4 U -","- C48 H108 O20 P4 Re4 U -","- C192 H432 O80 P16 Re16 U4 -","4","1","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71069","MoKα","","0.0328","0.0321","","","0.0794","0.0798","","","","","","1.047","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100398","15.5577","0.0012","15.5577","0.0012","14.873","0.0017","90","","90","","90","","3599.9","0.6","293","2","293","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C48 H108 O20 P4 Re4 Th -","- C48 H112 O20 P4 Re4 Th -","- C96 H224 O40 P8 Re8 Th2 -","2","0.125","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0547","0.0442","","","0.1099","0.1166","","","","","","1.011","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100399","21.721","0.003","21.738","0.003","14.8793","0.0019","90","","90","","90","","7025.6","1.6","230","2","230","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C48 H108 O20 P4 Re4 Th -","- C48 H108 O20 P4 Re4 Th -","- C192 H432 O80 P16 Re16 Th4 -","4","0.5","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0398","0.0359","","","0.0745","0.0763","","","","","","1.066","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100400","21.61","0.003","21.623","0.003","14.8324","0.0019","90","","90","","90","","6930.8","1.6","165","2","165","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C48 H108 O20 P4 Re4 Th -","- C48 H108 O20 P4 Re4 Th -","- C192 H432 O80 P16 Re16 Th4 -","4","0.5","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.026","0.0255","","","0.0535","0.0539","","","","","","1.06","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100401","21.535","0.003","21.548","0.003","14.795","0.0019","90","","90","","90","","6865.4","1.6","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C48 H108 O20 P4 Re4 Th -","- C48 H108 O20 P4 Re4 Th -","- C192 H432 O80 P16 Re16 Th4 -","4","0.5","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0268","0.0267","","","0.0593","0.0594","","","","","","1.161","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100402","15.3423","0.001","15.3423","0.001","15.3423","0.001","90","","90","","90","","3611.4","0.4","293","2","293","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C48 H108 O20 P4 Tc4 Th -","- C48 H120 O19.92 P4 Tc4 Th -","- C96 H240 O39.84 P8 Tc8 Th2 -","2","0.0416667","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0424","0.0387","","","0.0996","0.1009","","","","","","1.015","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100403","21.444","0.002","21.582","0.002","14.736","0.002","90","","90","","90","","6819.9","1.3","230","2","230","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C48 H108 O20 P4 Tc4 Th -","- C48 H108 O20 P4 Tc4 Th -","- C192 H432 O80 P16 Tc16 Th4 -","4","0.5","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0456","0.0368","","","0.0846","0.0876","","","","","","0.967","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100404","21.417","0.006","21.649","0.006","14.848","0.004","90","","90","","90","","6884","3","170","2","170","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C48 H108 O20 P4 Tc4 Th -","- C48 H108 O20 P4 Tc4 Th -","- C192 H432 O80 P16 Tc16 Th4 -","4","1","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0596","0.0502","","","0.1199","0.127","","","","","","1.077","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100405","21.358","0.013","21.651","0.013","14.79","0.009","90","","90","","90","","6839","7","130","2","130","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C48 H108 O20 P4 Tc4 Th -","- C48 H108 O20 P4 Tc4 Th -","- C192 H432 O80 P16 Tc16 Th4 -","4","1","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0639","0.0527","","","0.1221","0.13","","","","","","1.046","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100406","21.386","0.004","21.732","0.004","14.82","0.002","90","","90","","90","","6888","2","100","2","100","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C48 H108 O20 P4 Tc4 Th -","- C48 H108 O20 P4 Tc4 Th -","- C192 H432 O80 P16 Tc16 Th4 -","4","1","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0736","0.0623","","","0.1496","0.1607","","","","","","1.09","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100407","10.347","0.004","10.347","0.004","10.347","0.004","90","0.04","90","0.04","90","0.04","1107.8","0.7","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","cerium oxonitridosilicate chloride","","- Ce4 Cl0.92 N6.92 O3.16 Si4 -","- Ce4 Cl0.922 N6.921 O3.157 Si4 -","- Ce16 Cl3.688 N27.684 O12.628 Si16 -","4","0.333333","BK5022","Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang","Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2","Acta Crystallographica Section B","2006","62","2","205","211","10.1107/S0108768106003302","","","0.45","synchrotron","","0.0242","0.024","","","0.0627","0.0628","","","","","","1.018","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100408","10.223","0.003","10.223","0.003","10.223","0.003","90","0.04","90","0.04","90","0.04","1068.4","0.5","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","cerium oxonitridosilicate chloride","","- Ce4 Cl0.93 N6.93 O3.14 Si4 -","- Ce4 Cl0.927 N6.93 O3.143 Si4 -","- Ce16 Cl3.708 N27.72 O12.572 Si16 -","4","0.333333","BK5022","Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang","Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2","Acta Crystallographica Section B","2006","62","2","205","211","10.1107/S0108768106003302","","","0.45","synchrotron","","0.0303","0.0279","","","0.0687","0.0698","","","","","","1.037","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100409","10.824","0.009","10.479","0.003","8.967","0.003","90","0.04","90","0.04","90","0.04","1017.1","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cerium oxonitridosilicate chloride","","- Ce4 Cl0.93 N6.93 O3.14 Si4 -","- Ce4 Cl0.93 N6.93 O3.14 Si4 -","- Ce16 Cl3.72 N27.72 O12.56 Si16 -","4","1","BK5022","Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang","Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2","Acta Crystallographica Section B","2006","62","2","205","211","10.1107/S0108768106003302","","","0.45","synchrotron","","0.0747","0.0537","","","0.1133","0.1216","","","","","","1.056","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100410","26.789","0.004","7.17","0.001","14.211","0.002","90","","90","","90","","2729.6","0.7","100","1","100","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.0463","0.0372","","","0.0941","0.0994","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100411","26.789","0.004","7.173","0.001","14.246","0.002","90","","90","","90","","2737.5","0.7","125","1","125","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.0556","0.0377","","","0.0921","0.1012","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100412","26.775","0.004","7.168","0.001","14.258","0.002","90","","90","","90","","2736.4","0.7","150","1","150","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.0576","0.0387","","","0.0949","0.1048","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100413","26.828","0.004","7.181","0.001","14.306","0.002","90","","90","","90","","2756.1","0.7","175","1","175","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.058","0.0388","","","0.091","0.1002","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100414","26.838","0.004","7.181","0.001","14.332","0.002","90","","90","","90","","2762.1","0.7","200","1","200","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.0628","0.0407","","","0.1001","0.1127","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100415","26.818","0.005","7.174","0.001","14.348","0.003","90","","90","","90","","2760.4","0.9","235","1","235","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.0708","0.0405","","","0.0931","0.1092","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100416","26.938","0.005","7.211","0.001","14.461","0.003","90","","90","","90","","2809","0.9","275","1","275","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.0675","0.0419","","","0.1097","0.1248","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100417","26.86","0.01","7.193","0.003","14.433","0.005","90","","90","","90","","2788.5","1.8","293","1","293","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.0758","0.044","","","0.1091","0.1227","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100418","7.1204","0.0001","12.5017","0.0002","12.578","0.0002","114.424","0.0011","92.562","0.0011","104.354","0.0012","973.78","0.03","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","1,10-Phenanthrolin-1-ium (2-Carboxyethyl)(2-carboxylatoethyl)dichlorostannate(IV)","","- C18 H18 Cl2 N2 O4 Sn -","- C18 H18 Cl2 N2 O4 Sn -","- C36 H36 Cl4 N4 O8 Sn2 -","2","1","BS5018","Somphon, Weenawan; Haller, Kenneth J.; Ng, Seik Weng; Rae, A. David","Packing and polytypism in 1,10-phenanthrolin-1-ium (2-carboxyethyl)(2-carboxylatoethyl)dichlorostannate(IV)","Acta Crystallographica Section B","2006","62","2","255","261","10.1107/S0108768106002461","","","0.71073","MoKα","","0.0401","0.0288","","0.0632","","0.0594","","","0.966","","","1.001","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100419","8.1109","0.001","12.1621","0.0015","5.421","0.0007","90","","90","","90","","534.76","0.12","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","BS5023","Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV","Acta Crystallographica Section B","2006","62","2","296","309","10.1107/S0108768105038802","","","0.71073","MoKα","","0.0362","0.0343","","0.0884","0.0879","0.0884","","","","","","1.0268","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100420","7.4146","0.0019","12","0.003","5.3318","0.0009","90","","90","","90","","474.4","0.19","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 S -","- C3 H6 N O2 S -","- C12 H24 N4 O8 S4 -","4","1","BS5023","Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV","Acta Crystallographica Section B","2006","62","2","296","309","10.1107/S0108768105038802","","","0.71073","MoKα","","0.0893","0.0569","","0.1227","0.1108","0.1227","","","","","","1.0193","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100421","8.0558","0.001","10.4883","0.0019","5.3471","0.0005","90","","90","","90","","451.79","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","BS5023","Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV","Acta Crystallographica Section B","2006","62","2","296","309","10.1107/S0108768105038802","","","0.71073","MoKα","","0.0737","0.057","","0.1174","0.1084","0.1174","","","","","","1.0688","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100422","7.9981","0.0008","10.2976","0.0015","5.284","0.0003","90","","90","","90","","435.2","0.08","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","BS5023","Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV","Acta Crystallographica Section B","2006","62","2","296","309","10.1107/S0108768105038802","","","0.71073","MoKα","","0.0455","0.0402","","0.098","0.095","0.098","","","","","","1.0865","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100423","8.105","0.003","5.442","0.0008","10.916","0.004","90","","94.897","0.019","90","","479.7","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 N O2 S -","- C3 H6 N O2 S -","- C12 H24 N4 O8 S4 -","4","2","BS5023","Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV","Acta Crystallographica Section B","2006","62","2","296","309","10.1107/S0108768105038802","","","0.71073","MoKα","","0.2027","0.1437","","0.3324","0.162","0.162","","","","","","1.1464","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100424","14.008","0.002","14.008","0.002","14.008","0.002","90","","90","","90","","2748.7","0.7","123","2","123","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","","","","","- C21 H45 F6 N4 Ni O6 P -","- C21 H45 F6 N4 Ni O6 P -","- C84 H180 F24 N16 Ni4 O24 P4 -","4","0.333333","BS5024","Farrugia, L. J.; Frampton, C. S.; Howard, J. A. K.; Mallinson, P. R.; Peacock, R. D.; Smith, G. T.; Stewart, B.","Experimental charge-density study on the nickel(II) coordination complex [Ni(H~3~<i>L</i>)][NO~3~][PF~6~] [H~3~<i>L</i> = <i>N</i>,<i>N</i>',<i>N</i>''-tris(2-hydroxy-3-methylbutyl)-1,4,7-triazacyclononane]: a reappraisal","Acta Crystallographica Section B","2006","62","2","236","244","10.1107/S0108768106000802","","","0.71073","MoKα","","0.0327","0.0219","","","","0.0152","","","","","","1.061","","","","has coordinates","192318","2020-10-21","18:00:00",""
"2100425","18.685","0.0002","18.685","0.0002","12.2539","0.0001","90","","90","","120","","3705.03","0.06","200","","","","","","","","","","","3","P 31","P 31","144","","","","- C16 H26 O6 -","- C16 H26 O6 -","- C144 H234 O54 -","9","3","CK5012","A. David Rae; Anthony C. Willis; David T. Loong; Martin G. Banwell","(<i>Z</i>,2<i>R</i>,3<i>R</i>,4a<i>R</i>,7<i>R</i>,12a<i>S</i>)-2,3,7,8,12,12a-Hexahydro-2,3-dimethoxy-2,3,7-trimethyl-4a<i>H</i>-[1,4]dioxino[2,3-<i>c</i>]oxecin-5(11<i>H</i>)-one: a commensurate occupationally modulated structure revealing a condition for diffraction symmetry enhancement for non-parent reflections","Acta Crystallographica Section B","2006","62","2","262","267","10.1107/S0108768105041650","","","0.71073","MoKα","","0.043","0.038","","0.05","0.048","0.048","","","1.281","","","1.292","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100426","10.0576","0.0008","10.0576","0.0008","2.5862","0.0008","90","","90","","120","","226.56","0.07","","","293","","","","","","","","","4","R-3m(00\g)0s","","","","","","- Ba1.117 Ni0.117 O3 Rh0.883 -","- Ba24 Ni O6 Rh -","- Ba72 Ni3 O18 Rh3 -","3","","CK5013","Schönleber, Andreas; Zúñiga, F. Javier; Perez-Mato, J. Manuel; Darriet, Jacques; zur Loye, Hans-Conrad","Description of Ba~1+<i>x~</i>Ni~<i>x~</i>Rh~1{-~<i>x</i>}O~3~ with <i>x</i> = 0.1170(5) in superspace: modulated composite <i>versus</i> modulated-layer structure","Acta Crystallographica Section B","2006","62","2","197","204","10.1107/S0108768105039212","","","0.71069","MoKα","","0.0379","0.0379","","","0.0481","0.0481","","","","","","1.26","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100427","10.0576","0.0008","10.0576","0.0008","4.6306","0.0007","90","","90","","120","","405.65","0.08","","","293","","","","","","","","","4","X-3c1(00\g)000","","","","","","- Ba Ni0.105 O2.686 Rh0.791 -","","","6","","CK5013","Schönleber, Andreas; Zúñiga, F. Javier; Perez-Mato, J. Manuel; Darriet, Jacques; zur Loye, Hans-Conrad","Description of Ba~1+<i>x~</i>Ni~<i>x~</i>Rh~1{-~<i>x</i>}O~3~ with <i>x</i> = 0.1170(5) in superspace: modulated composite <i>versus</i> modulated-layer structure","Acta Crystallographica Section B","2006","62","2","197","204","10.1107/S0108768105039212","","","0.71069","MoKα","","0.0382","0.0382","","","0.0504","0.0504","","","","","","1.31","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100428","12.4375","0.0005","12.4375","0.0005","7.8807","0.0002","90","","90","","90","","1219.08","0.08","293","","293","","","","","","","","","6","X4bm","","","","","","- Ba0.38 K0.085 Na0.07 Nb2 O6 Sr0.56 -","","","10","","CK5014","Surmin, Audrey; Fertey, Pierre; Schaniel, Dominik; Woike, Theo","Modulated structure of potassium sodium strontium barium niobates (KNSBN): harmonic solution","Acta Crystallographica Section B","2006","62","2","228","235","10.1107/S0108768106001510","","","0.71069","MoKα","","0.0593","0.0506","","","0.0848","0.0871","","","","","","2.61","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100429","12.4292","0.0008","12.4292","0.0008","7.8524","0.0003","90","","90","","90","","1213.08","0.12","293","","293","","","","","","","","","6","X4bm","","","","","","- Ba0.26 K0.09 Na0.08 Nb2 O6 Sr0.67 -","","","10","","CK5014","Surmin, Audrey; Fertey, Pierre; Schaniel, Dominik; Woike, Theo","Modulated structure of potassium sodium strontium barium niobates (KNSBN): harmonic solution","Acta Crystallographica Section B","2006","62","2","228","235","10.1107/S0108768106001510","","","0.71069","MoKα","","0.0548","0.0548","","","0.0743","0.0743","","","","","","2.32","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100430","13.8572","0.0008","12.8086","0.0011","6.0801","0.0005","90","","90","","90","","1079.17","0.14","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hexachlorocyclotriphosphazene","","- Cl6 N3 P3 -","- Cl6 N3 P3 -","- Cl24 N12 P12 -","4","0.5","DE5025","Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker","Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives","Acta Crystallographica Section B","2006","62","2","321","329","10.1107/S0108768106000851","","","0.71073","MoKα","","0.03","0.0275","","","0.0709","0.0735","","","","","","1.261","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100431","13.8045","0.0014","10.7964","0.0016","20.7719","0.0012","90","","104.132","0.007","90","","3002.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-tert-butylamino-1,3,3,5,5-pentachlorocyclotriphosphazatriene","","- C4 H10 Cl5 N4 P3 -","- C4 H10 Cl5 N4 P3 -","- C32 H80 Cl40 N32 P24 -","8","2","DE5025","Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker","Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives","Acta Crystallographica Section B","2006","62","2","321","329","10.1107/S0108768106000851","","","0.71073","MoKα","","0.0492","0.0339","","","0.0787","0.0862","","","","","","1.072","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100432","20.3441","0.0007","11.9481","0.0004","15.9661","0.0007","90","","90","","90","","3880.9","0.3","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,1-bis(tert-butylamino)-3,3,5,5-tetrachlorocyclotriphosphazene","","- C8 H20 Cl4 N5 P3 -","- C8 H20 Cl4 N5 P3 -","- C64 H160 Cl32 N40 P24 -","8","2","DE5025","Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker","Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives","Acta Crystallographica Section B","2006","62","2","321","329","10.1107/S0108768106000851","","","0.71073","MoKα","","0.0974","0.053","","","0.0926","0.1072","","","","","","1.021","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100433","12.5207","0.0002","16.1282","0.0002","13.1311","0.0002","90","","95.903","0.001","90","","2637.59","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1-bis(tert-butylamino)-3-tert-butylamino,3,5,5-tetrachlorocyclotriphosphazene","","- C16 H40 Cl2 N7 P3 -","- C16 H40 Cl2 N7 P3 -","- C64 H160 Cl8 N28 P12 -","4","1","DE5025","Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker","Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives","Acta Crystallographica Section B","2006","62","2","321","329","10.1107/S0108768106000851","","","0.71073","MoKα","","0.0477","0.0382","","","0.0943","0.1003","","","","","","1.038","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100434","8.1233","0.0018","9.554","0.002","7.8224","0.0017","90","","107.596","0.004","90","","578.7","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N2 O3 -","- C4 H8 N2 O3 -","- C16 H32 N8 O12 -","4","1","GP5004","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure","Acta Crystallographica Section B","2006","62","2","310","320","10.1107/S0108768105042072","","","0.71073","MoKα","","0.057","0.0488","","0.1399","0.1357","0.1399","","","","","","1.0108","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100435","7.6428","0.0003","9.38","0.0004","7.6505","0.0005","90","","103.882","0.004","90","","532.44","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N2 O3 -","- C4 H8 N2 O3 -","- C16 H32 N8 O12 -","4","1","GP5004","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure","Acta Crystallographica Section B","2006","62","2","310","320","10.1107/S0108768105042072","","","0.71073","MoKα","","0.0932","0.0764","","0.1981","0.1839","0.1981","","","","","","1.0501","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100436","7.4304","0.0004","9.2896","0.0007","7.5943","0.0009","90","","102.465","0.007","90","","511.84","0.08","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N2 O3 -","- C4 H8 N2 O3 -","- C16 H32 N8 O12 -","4","1","GP5004","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure","Acta Crystallographica Section B","2006","62","2","310","320","10.1107/S0108768105042072","","","0.71073","MoKα","","0.0907","0.0745","","0.1891","0.1748","0.1891","","","","","","1.0349","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100437","7.31","0.0015","9.232","0.002","7.55","0.003","90","","101.51","0.03","90","","499.3","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N2 O3 -","- C4 H8 N2 O3 -","- C16 H32 N8 O12 -","4","1","GP5004","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure","Acta Crystallographica Section B","2006","62","2","310","320","10.1107/S0108768105042072","","","0.71073","MoKα","","0.0837","0.0677","","0.1628","0.1503","0.1628","","","","","","1.0429","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100438","7.2437","0.0008","9.2083","0.0013","7.5328","0.0017","90","","101.214","0.014","90","","492.86","0.14","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N2 O3 -","- C4 H8 N2 O3 -","- C16 H32 N8 O12 -","4","1","GP5004","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure","Acta Crystallographica Section B","2006","62","2","310","320","10.1107/S0108768105042072","","","0.71073","MoKα","","0.0919","0.0719","","0.1874","0.1692","0.1874","","","","","","1.0294","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100439","33.311","0.007","9.834","0.002","18.296","0.004","90","","92.35","0.03","90","","5988","2","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H36.5 Co1.5 N2.5 O9.5 -","- C27.5 H36.5 Co1.5 N2.5 O9.5 -","- C220 H292 Co12 N20 O76 -","8","1","LC5040","Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo","Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn","Acta Crystallographica Section B","2006","62","2","245","254","10.1107/S0108768105042795","","","0.71","synchrotron","","0.0829","0.06","","","0.1385","0.1514","","","","","","1.097","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2100440","33.2613","0.0005","9.7844","0.0001","18.2156","0.0003","90","","92.613","0.001","90","","5921.96","0.15","303","2","30","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H36.5 N2.5 O9.5 Zn1.5 -","- C27.5 H36.5 N2.5 O9.5 Zn1.5 -","- C220 H292 N20 O76 Zn12 -","8","1","LC5040","Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo","Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn","Acta Crystallographica Section B","2006","62","2","245","254","10.1107/S0108768105042795","","","0.71073","MoKα","","0.0543","0.0404","","","0.0829","0.0858","","","","","","0.96","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100441","33.3307","0.0005","9.8105","0.0001","18.1988","0.0003","90","","92.552","0.001","90","","5944.94","0.15","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H36.5 N2.5 O9.5 Zn1.5 -","- C27.5 H36.5 N2.5 O9.5 Zn1.5 -","- C220 H292 N20 O76 Zn12 -","8","1","LC5040","Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo","Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn","Acta Crystallographica Section B","2006","62","2","245","254","10.1107/S0108768105042795","","","0.71073","MoKα","","0.1243","0.0605","","","0.1016","0.1173","","","","","","1.026","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2100442","33.4193","0.0004","9.8455","0.0001","18.1908","0.0002","90","","92.495","0.001","90","","5979.64","0.11","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H36.5 N2.5 O9.5 Zn1.5 -","- C27.5 H36.5 N2.5 O9.5 Zn1.5 -","- C220 H292 N20 O76 Zn12 -","8","1","LC5040","Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo","Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn","Acta Crystallographica Section B","2006","62","2","245","254","10.1107/S0108768105042795","","","0.71073","MoKα","","0.1242","0.0536","","","0.099","0.1173","","","","","","0.993","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2100443","33.5639","0.0005","9.8791","0.0002","18.1814","0.0003","90","","92.35","0.001","90","","6023.54","0.18","300","1","300","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H36.5 N2.5 O9.5 Zn1.5 -","- C27.5 H36.5 N2.5 O9.5 Zn1.5 -","- C220 H292 N20 O76 Zn12 -","8","1","LC5040","Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo","Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn","Acta Crystallographica Section B","2006","62","2","245","254","10.1107/S0108768105042795","","","0.71073","MoKα","","0.0805","0.04","","","0.0886","0.1027","","","","","","1","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2100444","7.3876","0.0004","7.3876","0.0004","11.8882","0.0007","90","","90","","120","","561.89","0.05","300","","300","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ag13.034 As1.179 Cu2.966 S11 Sb0.821 -","- Ag13.032 As1.18 Cu2.968 S11 Sb0.82 -","- Ag13.032 As1.18 Cu2.968 S11 Sb0.82 -","1","0.0833333","LC5042","Bindi, Luca; Evain, Michel; Menchetti, Silvio","Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~","Acta Crystallographica, Section B: Structural Science","2006","62","2","212","219","10.1107/s010876810600108x","","","0.71069","MoKα","","0.0638","0.0464","","","0.118","0.1268","","","","","","1.89","","","","has coordinates","208238","2020-10-21","18:00:00",""
"2100445","7.3721","0.0006","7.3721","0.0006","11.8104","0.0012","90","","90","","120","","555.88","0.09","120","","120","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ag13.034 As1.179 Cu2.966 S11 Sb0.821 -","- Ag13.0404 As1.1792 Cu2.9656 S11.0002 Sb0.8208 -","- Ag13.0404 As1.1792 Cu2.9656 S11.0002 Sb0.8208 -","1","0.0833333","LC5042","Bindi, Luca; Evain, Michel; Menchetti, Silvio","Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~","Acta Crystallographica Section B","2006","62","2","212","219","10.1107/S010876810600108X","","","0.71069","MoKα","","0.0546","0.045","","","0.1269","0.1332","","","","","","2.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100446","7.389","0.001","7.389","0.001","11.816","0.002","90","","90","","120","","558.69","0.14","15","","15","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ag12.21 As1.194 Cu3.79 S11 Sb0.806 -","- Ag12.2262 As1.192 Cu3.772 S11.0002 Sb0.808 -","- Ag12.2262 As1.192 Cu3.772 S11.0002 Sb0.808 -","1","0.0833333","LC5042","Bindi, Luca; Evain, Michel; Menchetti, Silvio","Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~","Acta Crystallographica Section B","2006","62","2","212","219","10.1107/S010876810600108X","","","0.71069","MoKα","","0.0554","0.0444","","","0.1187","0.1259","","","","","","1.84","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100447","3.8016","0.0005","10.6369","0.0015","9.4866","0.0013","92.072","0.002","98.966","0.002","96.52","0.002","375.91","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","Tetrachlorobenzene - alpha polymorph","","- C6 H2 Cl4 -","- C6 H2 Cl4 -","- C12 H4 Cl8 -","2","1","SO5001","Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.","Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene","Acta Crystallographica Section B","2006","62","2","287","295","10.1107/S0108768105042102","","","0.71073","MoKα","","0.0375","0.0348","","","0.0967","0.099","","","","","","1.027","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2100448","3.76062","0.00004","10.58794","0.00005","9.44562","0.00003","92.4066","0.0004","98.6978","0.0006","97.5893","0.0006","367.779","0.005","2","1","2","1","","","","","","","","3","P -1","-P 1","2","1,2,4,5-tetrachlorobenzene - alpha polymorph","1,2,4,5-tetrachlorobenzene","","- C6 Cl4 D2 -","- C6 Cl4 D2 -","- C12 Cl8 D4 -","2","1","SO5001","Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.","Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene","Acta Crystallographica Section B","2006","62","2","287","295","10.1107/S0108768105042102","","neutron","","Neutron","","","","","","","","","","1.317","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100449","3.799","0.0001","10.6258","0.0001","9.47938","0.00007","91.978","0.0009","99.058","0.002","96.234","0.002","375.132","0.011","150","2","150","2","","","","","","","","3","P -1","-P 1","2","1,2,4,5-tetrachlorobenzene - alpha polymorph","1,2,4,5-tetrachlorobenzene","","- C6 Cl4 D2 -","- C6 Cl4 D2 -","- C12 Cl8 D4 -","2","1","SO5001","Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.","Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene","Acta Crystallographica Section B","2006","62","2","287","295","10.1107/S0108768105042102","","neutron","","Neutron","","","","","","","","","","1.324","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100450","3.78988","0.00004","10.50328","0.00005","9.56244","0.00003","90","","99.7184","0.0006","90","","375.182","0.005","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrachlorobenzene - beta polymorph","1,2,4,5-tetrachlorobenzene","","- C6 Cl4 D2 -","- C6 Cl4 D2 -","- C12 Cl8 D4 -","2","0.5","SO5001","Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.","Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene","Acta Crystallographica Section B","2006","62","2","287","295","10.1107/S0108768105042102","","neutron","","Neutron","","","","","","","","","","1.324","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100451","3.81117","0.00004","10.53867","0.00004","9.57198","0.00003","90","","99.7088","0.0005","90","","378.949","0.004","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrachlorobenzene - beta polymorph","1,2,4,5-tetrachlorobenzene","","- C6 Cl4 D2 -","- C6 Cl4 D2 -","- C12 Cl8 D4 -","2","0.5","SO5001","Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.","Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene","Acta Crystallographica Section B","2006","62","2","287","295","10.1107/S0108768105042102","","neutron","","Neutron","","","","","","","","","","1.261","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100452","3.85595","0.00005","10.61473","0.00006","9.59283","0.00004","90","","99.6884","0.0007","90","","387.033","0.006","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrachlorobenzene - beta polymorph","1,2,4,5-tetrachlorobenzene","","- C6 Cl4 D2 -","- C6 Cl4 D2 -","- C12 Cl8 D4 -","2","0.5","SO5001","Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.","Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene","Acta Crystallographica Section B","2006","62","2","287","295","10.1107/S0108768105042102","","neutron","","Neutron","","","","","","","","","","1.22","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100453","4.66516","0.00004","4.66516","","12.23763","0.00021","90","","90","","90","","266.336","0.005","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Ce1.86 In8 Rh -","- Ce1.858 In8 Rh -","- Ce1.858 In8 Rh -","1","0.0625","WS5027","E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk","Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials","Acta Crystallographica Section B","2006","62","2","173","189","10.1107/S0108768106003314","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100454","3.590966","0.000029","3.590966","","3.590966","","90","","90","","90","","46.3056","0.0004","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Rh -","- Rh -","- Rh4 -","4","0.0208333","WS5027","E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk","Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials","Acta Crystallographica Section B","2006","62","2","173","189","10.1107/S0108768106003314","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100455","4.69074","0.00029","4.69074","","4.69074","","90","","90","","90","","103.211","0.006","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ce In3 -","- Ce In3 -","- Ce In3 -","1","0.0208333","WS5027","E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk","Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials","Acta Crystallographica Section B","2006","62","2","173","189","10.1107/S0108768106003314","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100456","3.25094","0.00017","3.25094","","4.9474","0.0005","90","","90","","90","","52.287","0.006","","","","","","","","","","","","1","I 4/m m m","-I 4 2","139","","","","- In -","- In -","- In2 -","2","0.0625","WS5027","E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk","Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials","Acta Crystallographica Section B","2006","62","2","173","189","10.1107/S0108768106003314","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100457","8.9007","0.001","5.8099","0.0007","10.2451","0.0013","90","","101.69","0.009","90","","518.81","0.11","180","","180","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Dimethyl sulfate","","- C2 H6 O4 S -","- C2 H6 O4 S -","- C8 H24 O16 S4 -","4","0.5","WS5036","","","Acta Crystallographica, Section B","2006","62","2","280","286","10.1107/S0108768106001893","","","0.71073","MoKα","","0.0685","0.0435","","0.1194","0.1115","0.1194","","","","","","0.9572","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100458","12.0568","0.0007","15.9176","0.001","5.8001","0.0004","90","","90","","90","","1113.13","0.12","220","","220","","","","","","","","","4","F d d 2","F 2 -2d","43","","dimethylsulfate","","- C2 H6 O4 S -","- C2 H6 O4 S -","- C16 H48 O32 S8 -","8","0.5","WS5036","","","Acta Crystallographica, Section B","2006","62","2","280","286","10.1107/S0108768106001893","","","0.71073","MoKα","","0.0407","0.0336","","0.0864","0.0842","0.0864","","","","","","0.9311","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2100459","8.68731","0.00007","5.82756","0.00004","9.94376","0.00006","90","","100.44","0.0008","90","","495.076","0.005","5","","5","","","","","","","","","4","I2/a","-I 2ya","15","dimethyl sulphate","dimethyl sulfate","","- C2 D6 O4 S -","- C2 D6 O4 S -","- C8 D24 O16 S4 -","4","","WS5036","","","Acta Crystallographica, Section B","2006","62","2","280","286","10.1107/S0108768106001893","","neutron","","time-of-flightneutron","","","","","","","","","","1.64","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100460","5.9642","0.0001","10.4125","0.0002","11.7403","0.0004","108.175","0.001","104.56","0.001","104.087","0.002","628.08","0.03","150","","293","2","","","","","","","","4","P 1","P 1","1","","(1R, 2S)-(-)-ephedrine acetate","","- C24 H38 N2 O6 -","- C24 H38 N2 O6 -","- C24 H38 N2 O6 -","1","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","mokα","","0.0736","0.0427","","","0.0902","0.102","","","","","","1.033","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100461","5.829","0.0001","13.544","0.0004","21.7","0.0007","90","","90","","90","","1713.17","0.08","150","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R, 2S)-(-)-ephedrine adipate","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0577","0.0405","","","0.0861","0.0943","","","","","","1.034","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100462","5.7214","0.0003","20.8336","0.0011","6.9188","0.0005","90","","98.409","0.002","90","","815.84","0.08","150","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R, 2S)-(-)-ephedrine besylate","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C32 H42 N2 O8 S2 -","2","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.1125","0.0554","","","0.0956","0.1127","","","","","","1.012","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100463","5.7108","0.0001","34.0651","0.0007","6.659","0.0002","90","","90.09","","90","","1295.43","0.05","150","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R, 2S)-(-)-ephedrine edisylate","","- C22 H36 N2 O8 S2 -","- C22 H36 N2 O8 S2 -","- C44 H72 N4 O16 S4 -","2","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.1205","0.054","","","0.0965","0.1251","","","","","","0.984","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100464","5.6851","0.0004","7.7047","0.0005","22.4819","0.0017","90","","90","","90","","984.75","0.12","150","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R, 2S)-(-)-ephedrine","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.1854","0.056","","","0.0878","0.1151","","","","","","0.963","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100465","5.4877","0.0007","11.9057","0.0017","22.639","0.004","90","","90","","90","","1479.1","0.4","150","","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R, 2S)-(-)-ephedrine esylate","","- C12 H21 N O4 S -","- C12 H21 N O4 S -","- C48 H84 N4 O16 S4 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.169","0.1023","","","0.2296","0.2643","","","","","","1.078","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100466","9.5946","0.0004","6.0474","0.0003","10.8255","0.0005","90","","101.607","0.002","90","","615.28","0.05","150","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R, 2S)-(-)-ephedrine glycolate","","- C12 H19 N O4 -","- C12 H19 N O4 -","- C24 H38 N2 O8 -","2","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.067","0.0449","","","0.0873","0.0976","","","","","","1.081","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100467","7.2557","0.0003","6.1228","0.0003","12.5486","0.0006","90","","102.223","0.002","90","","544.84","0.04","150","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R, 2S)-(-)-ephedrine hydrochloride","","- C10 H16 Cl N O -","- C10 H16 Cl N O -","- C20 H32 Cl2 N2 O2 -","2","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0884","0.0657","","","0.1458","0.1558","","","","","","1.187","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100468","7.3639","0.0004","11.2551","0.0006","24.1442","0.0016","90","","90","","90","","2001.1","0.2","150","","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","(1R, 2S)-(-)-ephedrine hemihydrate","","- C10 H16 N O1.5 -","- C10 H16 N O1.5 -","- C80 H128 N8 O12 -","8","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0618","0.042","","","0.0911","0.0999","","","","","","1.077","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100469","6.1312","0.0006","9.1719","0.001","13.7393","0.0017","90","","100.909","0.004","90","","758.66","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R, 2S)-(-)-ephedrine L-(-)-malate","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C28 H42 N2 O12 -","2","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.1025","0.0598","","","0.1445","0.1851","","","","","","1.127","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100470","5.637","0.0002","13.495","0.0005","20.525","0.0005","90","","90","","90","","1561.36","0.09","150","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R, 2S)-(-)-ephedrine maleate monohydrate","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C56 H84 N4 O24 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0462","0.0361","","","0.0859","0.0915","","","","","","1.052","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100471","15.119","0.0014","5.784","0.0007","13.8788","0.0015","90","","105.765","0.007","90","","1168","0.2","150","","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(1R, 2S)-(-)-ephedrine malonate","","- C11.5 H17 N O3 -","- C11.5 H17 N O3 -","- C46 H68 N4 O12 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.1051","0.0563","","","0.1112","0.129","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100472","14.287","0.002","6.1075","0.0007","14.993","0.002","90","","93.211","0.006","90","","1306.2","0.3","150","","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1R, 2S)-(-)-ephedrine mesylate","","- C11 H19 N O4 S -","- C11 H19 N O4 S -","- C44 H76 N4 O16 S4 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0776","0.0478","","","0.1019","0.1193","","","","","","1.101","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100473","5.5309","0.0004","6.8501","0.0006","15.6906","0.0013","90","","97.243","0.006","90","","589.73","0.08","150","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R, 2S)-(-)-ephedrine nitrate","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C20 H32 N4 O8 -","2","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0671","0.0437","","","0.092","0.1025","","","","","","1.067","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100474","14.6992","0.001","5.6433","0.0004","15.2432","0.0014","90","","97.333","0.003","90","","1254.11","0.17","150","","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1R, 2S)-(-)-ephedrine dihydrogen phosphate","","- C10 H18 N O5 P -","- C10 H18 N O5 P -","- C40 H72 N4 O20 P4 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0689","0.051","","","0.1068","0.1194","","","","","","1.073","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100475","30.9967","0.0017","6.9861","0.0004","5.617","0.0003","90","","93.354","0.003","90","","1214.26","0.12","150","","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1R, 2S)-(-)-ephedrine bisulfate","","- C10 H17 N O5 S -","- C10 H17 N O5 S -","- C40 H68 N4 O20 S4 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.1501","0.0735","","","0.1049","0.1253","","","","","","1.116","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100476","6.622","0.0002","7.462","0.0003","33.216","0.0015","90","","90","","90","","1641.31","0.11","150","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R, 2S)-(-)-ephedrine L-(+)-tartrate monohydrate","","- C14 H23 N O8 -","- C14 H23 N O8 -","- C56 H92 N4 O32 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0676","0.0399","","","0.0765","0.0874","","","","","","1.032","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100477","5.9373","0.0002","7.0594","0.0002","18.3791","0.0008","80.254","0.001","88.527","0.002","66.247","0.002","694.14","0.04","150","","293","2","","","","","","","","4","P 1","P 1","1","","(1R, 2S)-(-)-ephedrine L-(+)-tartrate trihydrate","","- C24 H42 N2 O11 -","- C24 H42 N2 O11 -","- C24 H42 N2 O11 -","1","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.1072","0.0979","","","0.2835","0.2946","","","","","","1.311","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100478","5.7491","0.0002","7.1665","0.0002","42.0343","0.0009","90","","90","","90","","1731.85","0.09","150","","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R, 2S)-(-)-ephedrine P-tosylate","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.06","0.0431","","","0.0914","0.0993","","","","","","1.04","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100479","5.54","0.001","41.653","0.006","12.025","0.002","90","","90.33","0.01","90","","2774.8","0.8","295","1","295","1","","","","","","","","3","P 1 21 1","P 2yb","4","","S,S-1,2-dicyclohexylethane-1,2-diol","","- C14 H26 O2 -","- C14 H26 O2 -","- C112 H208 O16 -","8","4","DE5024","Patrick, Brian O.; Brock, Carolyn Pratt","S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule","Acta Crystallographica, Section B: Structural Science","2006","62","3","488","497","10.1107/S0108768106000620","","","0.71073","MoKα","","0.084","0.056","","","0.13","0.144","","","","","","1.09","","","","has coordinates","210925","2020-10-21","18:00:00",""
"2100480","5.4816","0.0006","41.262","0.006","11.954","0.002","90","","90.39","0.01","90","","2703.7","0.7","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","S,S-1,2-dicyclohexylethane-1,2-diol","","- C14 H26 O2 -","- C14 H26 O2 -","- C112 H208 O16 -","8","4","DE5024","Patrick, Brian O.; Brock, Carolyn Pratt","S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule","Acta Crystallographica, Section B: Structural Science","2006","62","3","488","497","10.1107/S0108768106000620","","","0.71073","MoKα","","0.062","0.042","","","0.082","0.089","","","","","","1.03","","","","has coordinates","210925","2020-10-21","18:00:00",""
"2100481","23.153","0.005","11.852","0.003","10.926","0.002","90","","104.64","0.02","90","","2900.9","1.1","295","1","295","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","rac-1,2-dicyclohexylethane-1,2-diol","","- C14 H26 O2 -","- C14 H26 O2 -","- C112 H208 O16 -","8","1","DE5024","Patrick, Brian O.; Brock, Carolyn Pratt","S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule","Acta Crystallographica, Section B: Structural Science","2006","62","3","488","497","10.1107/S0108768106000620","","","0.71073","MoKα","","0.091","0.068","","","0.189","0.208","","","","","","1.13","","","","has coordinates,has disorder","210925","2020-10-21","18:00:00",""
"2100482","23.161","0.005","11.584","0.003","10.973","0.002","90","","106.1","0.02","90","","2828.6","1.1","173","1","173","1","","","","","","","Synthesized in the laboratory of D. S. Matteson","3","C 1 2/c 1","-C 2yc","15","","rac-1,2-dicyclohexylethane-1,2-diol","","- C14 H26 O2 -","- C14 H26 O2 -","- C112 H208 O16 -","8","1","DE5024","Patrick, Brian O.; Brock, Carolyn Pratt","S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule","Acta Crystallographica, Section B: Structural Science","2006","62","3","488","497","10.1107/S0108768106000620","","","0.71073","MoKα","","0.064","0.047","","","0.109","0.118","","","","","","1.06","","","","has coordinates,has disorder","210925","2020-10-21","18:00:00",""
"2100483","6.0867","0.0001","6.0867","0.0001","8.4958","0.0004","90","","90","","90","","314.752","0.017","15","1","","","","","","","","","","3","I -4","I -4","82","","","","- C5 H12 O4 -","- C5 H12 O4 -","- C10 H24 O8 -","2","0.25","LB5001","Elizabeth A.Zhurova; Vladimir G. Tsirelson; Vladimir V. Zhurov; Adam I. Stash; A. Alan Pinkerton","Chemical bonding in pentaerythritol at very low temperature or at high pressure: an experimental and theoretical study","Acta Crystallographica Section B","2006","62","3","513","520","10.1107/S0108768106008329","","","0.71073","MoKα","","","0.0118","","","","0.0116","","","","","","1.508","","","","has coordinates,has Fobs","192320","2020-10-21","18:00:00",""
"2100484","15.0954","0.0012","15.0954","0.0012","11.8825","0.0008","90","","90","","120","","2344.9","0.3","120","","293","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ag14.52 Cu1.48 S11 Sb2 -","- Ag14.52 Cu1.48 S11 Sb2 -","- Ag58.08 Cu5.92 S43.9999 Sb8 -","4","0.666667","LC5045","M. Evain; L. Bindi; S. Menchetti","Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~","Acta Crystallographica Section B","2006","62","3","447","456","10.1107/S010876810600975X","","","0.71069","MoKα","","0.045","0.0359","","","0.0448","0.0458","","","","","","1.41","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100485","26.188","0.003","15.1199","0.0018","23.784","0.003","90","","90","","90","","9418","2","100","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ag14.814 Cu1.186 S11 Sb2 -","- Ag14.8145 Cu1.1855 S11 Sb2 -","- Ag237.032 Cu18.968 S176 Sb32 -","16","2","LC5045","M. Evain; L. Bindi; S. Menchetti","Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~","Acta Crystallographica Section B","2006","62","3","447","456","10.1107/S010876810600975X","","","0.71069","MoKα","","0.0649","0.05","","","0.0562","0.0574","","","","","","1.48","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100486","7.2527","0.0009","24.951","0.003","9.8959","0.001","90","","106.645","0.008","90","","1715.7","0.4","173","","173","","","","","","","","","3","P21/c(\a0\g)00","","","","","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","","OG5016","Cyril A. Fuhre; Kurt Schenk; Robert Häner; Gervais Chapuis; Nicolas Guiblin; Helen Stoeckli-Evans","The incommensurately modulated structure of a tricyclic natural-product-like compound of empirical formula C~22~H~20~O~3~","Acta Crystallographica Section B","2006","62","3","506","512","10.1107/S010876810600930X","","","0.71069","MoKα","","0.1411","0.0386","","","0.0706","0.0865","","","","","","0.79","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100487","8.4637","0.0013","6.0176","0.001","10.1812","0.0016","90","","105.747","0.003","90","","499.08","0.14","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-dichlorodi(dimethylsulphide)platinum(II)","","- C4 H12 Cl2 Pt S2 -","- C4 H12 Cl2 Pt S2 -","- C8 H24 Cl4 Pt2 S4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.71073","MoKα","","0.0776","0.0455","","","0.0989","0.1094","","","","","","0.963","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100488","10.2175","0.0008","6.0353","0.0006","8.486","0.0007","90","","105.716","0.006","90","","503.73","0.08","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulphide)platinum dichloride.","","- C4 H12 Cl2 Pt S2 -","- Pt2 -","- Pt4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.9249","synchrotron","","","","","","","","","","3.23","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100489","8.407","0.0006","6.0038","0.0005","10.1607","0.0009","90","","105.829","0.007","90","","493.4","0.07","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulphide)platinum dichloride.","","- C4 H12 Cl2 Pt S2 -","- Pt2 -","- Pt4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.9249","synchrotron","","","","","","","","","","3.16","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100490","8.3155","0.0009","5.9607","0.0008","10.1123","0.0013","90","","106.021","0.011","90","","481.76","0.11","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulphide)platinum dichloride.","","- C4 H12 Cl2 Pt S2 -","- Pt2 -","- Pt4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.9249","synchrotron","","","","","","","","","","4.63","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100491","8.1889","0.0008","5.905","0.0006","10.01","0.0011","90","","106.349","0.008","90","","464.47","0.09","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulphide)platinum dichloride.","","- C4 H12 Cl2 Pt S2 -","- Pt2 -","- Pt4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.9249","","","","","","","","","","","3.77","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100492","7.9633","0.0013","5.7915","0.0008","9.8203","0.0012","90","","106.933","0.01","90","","433.27","0.11","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulphide)platinum dichloride.","","- C4 H12 Cl2 Pt S2 -","- Pt2 -","- Pt4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.9249","synchrotron","","","","","","","","","","4.74","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100493","7.8667","0.0012","5.7418","0.0007","9.7349","0.0011","90","","107.299","0.009","90","","419.83","0.1","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulphide)platinum dichloride.","","- C4 H12 Cl2 Pt S2 -","- Pt2 -","- Pt4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.9249","synchrotron","","","","","","","","","","4.47","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100494","7.8065","0.0007","5.7061","0.0004","9.6871","0.0007","90","","107.409","0.006","90","","411.74","0.06","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulphide)platinum dichloride.","","- C4 H12 Cl2 Pt S2 -","- Pt2 -","- Pt4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.9249","synchrotron","","","","","","","","","","3.1","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100495","7.7447","0.0007","5.6735","0.0005","9.6219","0.0007","90","","107.559","0.007","90","","403.08","0.06","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulphide)platinum dichloride.","","- C4 H12 Cl2 Pt S2 -","- Pt2 -","- Pt4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.9249","synchrotron","","","","","","","","","","3.19","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100496","7.6626","0.0007","5.6223","0.0004","9.5448","0.0007","90","","107.815","0.007","90","","391.49","0.06","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulphide)platinum dichloride.","","- C4 H12 Cl2 Pt S2 -","- Pt2 -","- Pt4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.9249","synchrotron","","","","","","","","","","3.08","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100497","7.6343","0.0008","5.6073","0.0004","9.5122","0.0007","90","","107.911","0.007","90","","387.46","0.06","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulphide)platinum dichloride.","","- C4 H12 Cl2 Pt S2 -","- Pt2 -","- Pt4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.9249","synchrotron","","","","","","","","","","3.02","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100498","7.5999","0.0007","5.5911","0.0004","9.4814","0.0007","90","","107.995","0.007","90","","383.17","0.06","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulphide)platinum dichloride.","","- C4 H12 Cl2 Pt S2 -","- Pt2 -","- Pt4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.9249","synchrotron","","","","","","","","","","2.69","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100499","7.5511","0.0007","5.5626","0.0004","9.4311","0.0007","90","","108.221","0.008","90","","376.28","0.06","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulphide)platinum dichloride.","","- C4 H12 Cl2 Pt S2 -","- Pt2 -","- Pt4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.9249","synchrotron","","","","","","","","","","2.23","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100500","7.5316","0.0007","5.553","0.0004","9.4148","0.0008","90","","108.253","0.008","90","","373.94","0.06","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulphide)platinum dichloride.","","- C4 H12 Cl2 Pt S2 -","- Pt2 -","- Pt4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.9249","synchrotron","","","","","","","","","","2.04","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100501","7.5335","0.0008","5.5545","0.0004","9.4126","0.0009","90","","108.256","0.009","90","","374.04","0.06","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulphide)platinum dichloride.","","- C4 H12 Cl2 Pt S2 -","- Pt2 -","- Pt4 -","2","0.5","RY5001","Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke","<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions","Acta Crystallographica Section B","2006","62","3","474","479","10.1107/S0108768106004629","","","0.9249","synchrotron","","","","","","","","","","2.39","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100502","4.001","0.004","25.09","0.03","12.94","0.011","90","","93.65","0.08","90","","1296","2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","SN5027","Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich","X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer","Acta Crystallographica Section B","2006","62","3","480","487","10.1107/S0108768105040590","","","0.71073","MoKα","","0.2658","0.076","","","0.1508","0.214","","","","","","1.004","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100503","7.683","0.005","12.188","0.006","12.562","0.006","114.88","0.04","99.61","0.05","96.03","0.05","1031.8","1.1","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N3 O6 -","- C22 H21 N3 O6 -","- C44 H42 N6 O12 -","2","1","SN5027","Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich","X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer","Acta Crystallographica Section B","2006","62","3","480","487","10.1107/S0108768105040590","","","0.71073","MoKα","","0.0837","0.0493","","","0.1268","0.1534","","","","","","1.003","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100504","11.046","0.002","4.8739","0.0008","18.027","0.003","90","","106.728","0.005","90","","929.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C36 H48 N8 O8 -","4","1","SN5027","Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich","X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer","Acta Crystallographica Section B","2006","62","3","480","487","10.1107/S0108768105040590","","","0.71073","MoKα","","0.057","0.0507","","","0.1419","0.1472","","","","","","1.022","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100505","7.113","0.002","11.797","0.003","18.314","0.005","90","","94.644","0.007","90","","1531.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O6 -","- C16 H17 N3 O6 -","- C64 H68 N12 O24 -","4","1","SN5027","Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich","X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer","Acta Crystallographica Section B","2006","62","3","480","487","10.1107/S0108768105040590","","","0.71073","MoKα","","0.0395","0.0364","","","0.0951","0.0975","","","","","","1.003","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100506","5.60549","0.00003","5.605486","","31.1417","0.0002","90","","90","","120","","847.42","0.01","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C2 Ca F6 O6 S2 -","- C2 Ca F5.99994 O5.99994 S2 -","- C6 Ca3 F17.9998 O17.9998 S6 -","3","0.166667","SN5032","Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin","Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data","Acta Crystallographica, Section B: Structural Science","2006","62","3","467","473","10.1107/s0108768106009517","","","0.69953","synchrotron","","","","","","","","","","2.29","","","","","","","has coordinates","210924","2020-10-21","18:00:00",""
"2100507","4.98965","0.00019","10.7668","0.0004","4.82189","0.00017","103.523","0.003","118.085","0.003","79.459","0.003","221.402","0.014","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C2 Cu F6 O6 S2 -","- C2 Cu F6 O6 S2 -","- C2 Cu F6 O6 S2 -","1","0.5","SN5032","Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin","Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data","Acta Crystallographica, Section B: Structural Science","2006","62","3","467","473","10.1107/s0108768106009517","","","0.24804","synchrotron","","","","","","","","","","1.29","","","","","","","has coordinates","210924","2020-10-21","18:00:00",""
"2100508","4.97873","0.00006","4.97873","","31.3165","0.0007","90","","90","","120","","672.27","0.06","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C2 F6 O6 S2 Zn -","- C2 F5.99994 O5.99994 S2 Zn -","- C6 F17.9998 O17.9998 S6 Zn3 -","3","0.166667","SN5032","Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin","Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data","Acta Crystallographica, Section B: Structural Science","2006","62","3","467","473","10.1107/s0108768106009517","","","0.24804","synchrotron","","","","","","","","","","1.06","","","","","","","has coordinates","210924","2020-10-21","18:00:00",""
"2100509","5.0494","0.0005","5.0494","","31.033","0.002","90","","90","","120","","685.23","0.09","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C2 F6 Mg O6 S2 -","- C2 F5.99994 Mg O5.99994 S2 -","- C6 F17.9998 Mg3 O17.9998 S6 -","3","0.166667","SN5032","Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin","Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data","Acta Crystallographica, Section B: Structural Science","2006","62","3","467","473","10.1107/s0108768106009517","","","","","","","","","","","","","","","","","","","","","has coordinates","210924","2020-10-21","18:00:00",""
"2100510","21.7505","0.001","4.90797","0.00011","9.6949","0.0003","90","","100.379","0.003","90","","1018.01","0.06","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C2 Ba F6 O6 S2 -","- C2 Ba F6 O6 S2 -","- C8 Ba4 F24 O24 S8 -","4","0.5","SN5032","Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin","Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data","Acta Crystallographica, Section B: Structural Science","2006","62","3","467","473","10.1107/s0108768106009517","","","","","","","","","","","","","","","","","","","","","has coordinates","210924","2020-10-21","18:00:00",""
"2100511","20.416","0.006","6.4987","0.0015","4.9294","0.0019","90","","90.26","0.03","90","","654","0.4","298","","298","","","","","","","","","3","C2/c(0\b0)s0","","","sodium trisilicate","","","- Na2 O7 Si3 -","- Na2 O8 Si4 -","- Na8 O32 Si16 -","4","","SN5035","Krüger, Hannes; Kahlenberg, Volker; Friese, Karen","Na~2~Si~3~O~7~: an incommensurate structure with crenel-type modulation functions, refined from a twinned crystal","Acta Crystallographica Section B","2006","62","3","440","446","10.1107/S010876810600663X","","","0.71073","MoKα","","0.1124","0.073","","","0.061","0.0651","","","","","","2.3","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100512","8.44114","0.00011","8.44114","0.00011","8.44114","0.00011","90","","90","","90","","601.455","0.014","298","","298","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba2 Nb O6 Y -","- Ba2 Nb O6 Y -","- Ba8 Nb4 O24 Y4 -","4","0.0208333","WS5031","Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.","Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry","Acta Crystallographica Section B","2006","62","3","384","396","10.1107/S0108768106002448","","neutron","1.5403","neutron","","","","","","","","","","1.01","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100513","5.37706","0.00009","5.41557","0.00009","7.6255","0.00013","90","","89.97","0.004","90","","222.053","0.006","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Al Ca2 Nb O6 -","- Al Ca2 Nb O6 -","- Al2 Ca4 Nb2 O12 -","2","0.5","WS5031","Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.","Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry","Acta Crystallographica Section B","2006","62","3","384","396","10.1107/S0108768106002448","","neutron","1.5403","neutron","","","","","","","","","","1.22","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100514","5.42609","0.00008","5.49922","0.00007","7.71863","0.00011","90","","90.017","0.006","90","","230.318","0.006","","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ca2 Cr O6 Ta -","- Ca2 Cr O6 Ta -","- Ca4 Cr2 O12 Ta2 -","2","0.5","WS5031","Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.","Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry","Acta Crystallographica Section B","2006","62","3","384","396","10.1107/S0108768106002448","","neutron","1.8857","neutron","","","","","","","","","","1.29","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100515","5.57516","0.00018","5.57516","","7.8808","0.0005","90","","90","","90","","244.954","0.017","298","","298","","","","","","","","","4","I 4/m","-I 4","87","","","","- Cr O6 Sr2 Ta -","- Cr1.01 O6 Sr2 Ta1.01 -","- Cr2.02 O12 Sr4 Ta2.02 -","2","0.125","WS5031","Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.","Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry","Acta Crystallographica Section B","2006","62","3","384","396","10.1107/S0108768106002448","","neutron","1.8857","neutron","","","","","","","","","","1.61","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100516","5.57539","0.00011","5.57539","","7.8949","0.0002","90","","90","","90","","245.413","0.008","298","","298","","","","","","","","","4","I 4/m","-I 4","87","","","","- Ga O6 Sr2 Ta -","- Ga O6 Sr2 Ta -","- Ga2 O12 Sr4 Ta2 -","2","0.125","WS5031","Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.","Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry","Acta Crystallographica Section B","2006","62","3","384","396","10.1107/S0108768106002448","","neutron","1.5403","neutron","","","","","","","","","","1.18","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100517","5.7045","0.0002","5.6973","0.0002","8.0505","0.0002","90","","90.021","0.008","90","","261.643","0.015","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Nb O6 Sc Sr2 -","- Nb O6 Sc Sr2 -","- Nb2 O12 Sc2 Sr4 -","2","0.5","WS5031","Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.","Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry","Acta Crystallographica Section B","2006","62","3","384","396","10.1107/S0108768106002448","","neutron","1.5403","neutron","","","","","","","","","","1.3","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100518","6.27983","0.00003","7.83799","0.00004","5.46295","0.00003","90","","114.893","0.0004","90","","243.913","0.002","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H7 N O2 -","- C4 H7 N O2 -","- C8 H14 N2 O4 -","2","1","AV5050","Asiloé J. Mora; Michella Brunelli; Andrew N. Fitch; Jonathan Wright; Maria E. Báez; Francisco López-Carrasquero","Structures of (<i>S</i>)-({-})-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data","Acta Crystallographica Section B","2006","62","4","606","611","10.1107/S0108768106013887","","","0.540211","synchrotron","","","","","","","","","","1.93","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100519","8.94684","0.00002","7.66956","0.00002","7.27555","0.00002","90","","90","","90","","499.236","0.002","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-(-)-oxo-2-azetidinonecarboxilyc acid","","- C4 H5 N O3 -","- C4 H5 N O3 -","- C16 H20 N4 O12 -","4","1","AV5050","Asiloé J. Mora; Michella Brunelli; Andrew N. Fitch; Jonathan Wright; Maria E. Báez; Francisco López-Carrasquero","Structures of (<i>S</i>)-({-})-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data","Acta Crystallographica Section B","2006","62","4","606","611","10.1107/S0108768106013887","","","0.84933","synchrotron","","","","","","","","","","2.81","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100520","7.9411","0.0002","7.9411","0.0002","19.6002","0.0005","90","","90","","90","","1236.01","0.05","250","","250","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","N-oxipicoline","4-methylpyridine-N-oxide","","- C6 D7 N O -","- C6 D7 N O -","- C48 D56 N8 O8 -","8","0.25","AV5052","Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F.","Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature","Acta Crystallographica Section B","2006","62","4","627","633","10.1107/S0108768106011608","","neutron","1.2253","ConstantWavelengthneutron","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100521","12.1382","0.0003","10.2367","0.0002","19.5676","0.0003","90","","90","","90","","2431.37","0.09","100","","100","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","N-oxipicoline","4-methylpyridine-N-oxide","","- C6 D7 N O -","- C6 D7 N O -","- C96 D112 N16 O16 -","16","0.5","AV5052","Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F.","Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature","Acta Crystallographica Section B","2006","62","4","627","633","10.1107/S0108768106011608","","neutron","1.2253","ConstantWavelengthNeutron","","","","","","","","","","1.93","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100522","15.41038","0.00019","15.41038","0.00019","19.68","0.0003","90","","90","","90","","4673.6","0.11","10","","10","","","","","","","","","4","P 41","P 4w","76","N-oxipicoline","4-methylpyridine-N-oxide","","- C6 D7 N O -","- C6 D7 N O -","- C192 D224 N32 O32 -","32","8","AV5052","Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F.","Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature","Acta Crystallographica Section B","2006","62","4","627","633","10.1107/S0108768106011608","","neutron","1.2253","ConstantWavelengthNeutronDiffraction","","","","","","","","","","2.35","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100523","7.2934","0.0002","7.8145","0.0002","10.2181","0.0003","87.055","0.001","70.569","0.001","72.898","0.001","524.22","0.03","110","0.1","","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 N2 O2 S -","- C9 H14 N2 O2 S -","- C18 H28 N4 O4 S2 -","2","1","AV5058","V. Tsirelson; A. Stash; V. Potemkin; A. Rykounov; A. Shutalev; E. Zhurova; V. Zhurov; A. A. Pinkerton; G. Gurskaya; V. Zavodnik","Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities","Acta Crystallographica Section B","2006","62","4","676","688","10.1107/S0108768106016326","","","0.71073","MoKα","","","0.0194","","","","0.0221","","","","","","1.2","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100524","22.0427","0.0006","3.9311","0.0001","14.234","0.0004","90","","114.885","0.001","90","","1118.89","0.05","123","1","123","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","HOAt Form I","1-hydroxy-7-azabenzotriazole","","- C5 H4 N4 O -","- C5 H4 N4 O -","- C40 H32 N32 O8 -","8","1","BK5029","Harriott Nowell; Christopher S. Frampton; Julie Waite; Sarah L. Price","Blind crystal structure prediction of a novel second polymorph of 1-hydroxy-7-azabenzotriazole","Acta Crystallographica Section B","2006","62","4","642","650","10.1107/S0108768106012584","","","0.71073","MoKα","","0.0326","0.0296","","","0.0878","0.0903","","","","","","1","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100525","3.7487","0.0001","20.8881","0.0005","7.0982","0.0002","90","","96.257","0.001","90","","552.5","0.03","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HOAt Form II","1-hydroxy-t-axabenzotrazole","","- C5 H4 N4 O -","- C5 H4 N4 O -","- C20 H16 N16 O4 -","4","1","BK5029","Harriott Nowell; Christopher S. Frampton; Julie Waite; Sarah L. Price","Blind crystal structure prediction of a novel second polymorph of 1-hydroxy-7-azabenzotriazole","Acta Crystallographica Section B","2006","62","4","642","650","10.1107/S0108768106012584","","","0.71073","MoKα","","0.0347","0.0327","","","0.0896","0.0913","","","","","","1.002","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100526","9.1379","0.0004","6.1776","0.0003","11.7682","0.0004","90","","93.853","0.003","90","","662.82","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E,E)-1,4-Bis(2-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 N4 O4 -","- C14 H10 N4 O4 -","- C28 H20 N8 O8 -","2","0.5","BM5032","Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.","Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes","Acta Crystallographica Section B","2006","62","4","666","675","10.1107/S010876810601439X","","","0.71073","MoKα","","0.0513","0.039","","","0.1143","0.1237","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100527","7.7809","0.0002","14.7825","0.0006","6.2196","0.0002","90","","113.106","0.002","90","","658","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,E)-1,4-Bis(2-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 N4 O4 -","- C14 H10 N4 O4 -","- C28 H20 N8 O8 -","2","0.5","BM5032","Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.","Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes","Acta Crystallographica Section B","2006","62","4","666","675","10.1107/S010876810601439X","","","0.71073","MoKα","","0.0753","0.0599","","","0.1502","0.1599","","","","","","1.017","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100528","7.8036","0.0002","7.0914","0.0003","12.3424","0.0004","90","","101.742","0.002","90","","668.72","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E,E)-1-(2-nitrophenyl)-4-(3-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 N4 O4 -","- C14 H10 N4 O4 -","- C28 H20 N8 O8 -","2","1","BM5032","Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.","Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes","Acta Crystallographica Section B","2006","62","4","666","675","10.1107/S010876810601439X","","","0.71073","MoKα","","0.0445","0.04","","","0.1046","0.1069","","","","","","1.25","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100529","7.0128","0.0004","7.6318","0.0005","12.8037","0.0005","90","","105.825","0.003","90","","659.29","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E,E)-1,4-Bis(2-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 N4 O4 -","- C14 H10 N4 O4 -","- C28 H20 N8 O8 -","2","0.5","BM5032","Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.","Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes","Acta Crystallographica Section B","2006","62","4","666","675","10.1107/S010876810601439X","","","0.71073","MoKα","","0.0688","0.0444","","","0.1077","0.122","","","","","","1.038","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100530","30.865","0.003","4.766","0.0005","21.736","0.002","90","","123.926","0.002","90","","2653.1","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E,E)-1-(3-nitrophenyl)-4-(4-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 N4 O4 -","- C14 H10 N4 O4 -","- C112 H80 N32 O32 -","8","1","BM5032","Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.","Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes","Acta Crystallographica Section B","2006","62","4","666","675","10.1107/S010876810601439X","","","0.6778","synchrotron","","0.082","0.0565","","","0.1553","0.1701","","","","","","1.09","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100531","3.7318","0.0002","7.2442","0.0003","23.9367","0.001","90","","94.053","0.002","90","","645.48","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E,E)-1,4-Bis(4-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 N4 O4 -","- C14 H10 N4 O4 -","- C28 H20 N8 O8 -","2","0.5","BM5032","Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.","Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes","Acta Crystallographica Section B","2006","62","4","666","675","10.1107/S010876810601439X","","","0.71073","MoKα","","0.0518","0.0414","","","0.1044","0.1101","","","","","","1.058","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100532","13.2296","0.0006","21.0744","0.001","7.6898","0.0016","90","","90","","90","","2144","0.5","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","N-phenyl-2-chloronicotinamide","","- C12 H9 Cl N2 O -","- C12 H9 Cl N2 O -","- C96 H72 Cl8 N16 O8 -","8","1","BM5033","Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.","Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2006","62","4","651","665","10.1107/S0108768106015497","","","0.71073","MoKα","","0.0967","0.0594","","","0.1157","0.1285","","","","","","1.073","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100533","9.6824","0.0006","11.3082","0.0007","11.5139","0.0007","77.453","0.002","73.445","0.002","87.978","0.002","1179.07","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N-(4-Methylphenyl)-2-chloronicotinamide","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","2","BM5033","Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.","Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2006","62","4","651","665","10.1107/S0108768106015497","","","0.6751","synchrotron","","0.0616","0.0443","","","0.1138","0.1243","","","","","","1.023","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100534","6.8033","0.0004","8.1303","0.0003","11.5356","0.0006","84.032","0.003","84.297","0.002","69.569","0.003","593.32","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","N-(4-Fluorophenyl)-2-chloronicotinamide monohydrate","","- C12 H10 Cl F N2 O2 -","- C12 H10 Cl F N2 O2 -","- C24 H20 Cl2 F2 N4 O4 -","2","1","BM5033","Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.","Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2006","62","4","651","665","10.1107/S0108768106015497","","","0.71073","MoKα","","0.0751","0.0436","","","0.1001","0.113","","","","","","1.049","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100535","5.0855","0.0008","28.982","0.008","15.607","0.004","90","","90.37","0.02","90","","2300.2","0.9","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-Chlorophenyl-2-chloronicotinamide","","- C12 H8 Cl2 N2 O -","- C12 H8 Cl2 N2 O -","- C96 H64 Cl16 N16 O8 -","8","4","BM5033","Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.","Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2006","62","4","651","665","10.1107/S0108768106015497","","","0.71073","MoKα","","0.1124","0.0686","","","0.1482","0.1691","","","","","","1.037","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100536","4.881","0.0002","13.3448","0.0002","18.3974","0.0003","90","","90","","90","","1198.33","0.06","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N-(4-bromophenyl)-2-chloronicotinamide","","- C12 H8 Br Cl N2 O -","- C12 H8 Br Cl N2 O -","- C48 H32 Br4 Cl4 N8 O4 -","4","1","BM5033","Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.","Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2006","62","4","651","665","10.1107/S0108768106015497","","","0.71073","MoKα","","0.0255","0.0233","","","0.0585","0.0595","","","","","","1.071","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100537","10.6597","0.0002","25.9833","0.0003","9.2044","0.0006","90","","90","","90","","2549.38","0.18","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-(4-Iodophenyl)-2-chloronicotinamide","","- C12 H8 Cl I N2 O -","- C12 H8 Cl I N2 O -","- C96 H64 Cl8 I8 N16 O8 -","8","1","BM5033","Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.","Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2006","62","4","651","665","10.1107/S0108768106015497","","","0.71073","MoKα","","0.0354","0.0227","","","0.0519","0.0561","","","","","","1.04","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100538","4.8536","0.0002","11.8437","0.0004","21.0612","0.0007","90","","90","","90","","1210.69","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(4-Methoxyphenyl)-2-chloronicotinamide","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C52 H44 Cl4 N8 O8 -","4","1","BM5033","Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.","Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2006","62","4","651","665","10.1107/S0108768106015497","","","0.71073","MoKα","","0.0605","0.0421","","","0.0947","0.104","","","","","","1.042","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100539","7.2885","0.0003","7.7607","0.0003","20.8849","0.0009","96.456","0.002","92.913","0.002","91.81","0.002","1171.49","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N-(4-Cyanophenyl)-2-chloronicotinamide","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C52 H32 Cl4 N12 O4 -","4","2","BM5033","Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.","Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2006","62","4","651","665","10.1107/S0108768106015497","","","0.71073","MoKα","","0.0961","0.0593","","","0.1533","0.1707","","","","","","1.065","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100540","23.518","0.001","23.518","0.001","5.0263","0.0003","90","","90","","90","","2780","0.2","190","2","190","2","","","","","","","","5","P -4","P -4","81","","","","- Ca2 Co0.9 O7 Si2 Zn0.1 -","- Ca2 Co0.9 O7 Si2 Zn0.1 -","- Ca36 Co16.2 O126 Si36 Zn1.8 -","18","4.5","CK5015","Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut","Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals","Acta Crystallographica, Section B","2006","62","4","547","555","10.1107/S0108768106016612","","","0.71073","MoKα","","0.1011","0.0758","","","0.1751","0.1948","","","","","","1.113","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100541","23.518","0.001","23.518","0.001","5.0263","0.0003","90","","90","","90","","2780","0.2","190","1","190","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- Ca2 Co0.9 O7 Si2 Zn0.1 -","- Ca2 Co0.9 O7 Si2 Zn0.1 -","- Ca36 Co16.2 O126 Si36 Zn1.8 -","18","4.5","CK5015","Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut","Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals","Acta Crystallographica, Section B","2006","62","4","547","555","10.1107/S0108768106016612","","","0.71073","MoKα","","0.0717","0.0526","","","0.1053","0.1137","","","","","","1.098","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100542","6.9825","0.0001","15.7877","0.0003","17.878","0.0004","100.232","0.0009","95.906","0.001","100.567","0.001","1887.81","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","N-(8-methyl-2-(2-furyl)-8H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c) pyrimidin-5-yl)N-(2-chloro phenyl)-urea hemihydrate","","- C18 H14 Cl N8 O2.5 -","- C18 H14 Cl N8 O2.5 -","- C72 H56 Cl4 N32 O10 -","4","2","DE5026","V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli","Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists","Acta Crystallographica Section B","2006","62","4","634","641","10.1107/S0108768106013966","","","0.71073","MoKα","","0.0691","0.0482","","","0.1219","0.1381","","","","","","1.061","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100543","11.2816","0.0002","24.0888","0.0005","8.1651","0.0003","90","","103.917","0.0008","90","","2153.81","0.1","295","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[8-butyl-2-(2-furyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo [1,5-c]pyrimidin-5-yl] N-(3-methoxyphenyl)-urea","","- C22 H22 N8 O3 -","- C22 H22 N8 O3 -","- C88 H88 N32 O12 -","4","1","DE5026","V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli","Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists","Acta Crystallographica Section B","2006","62","4","634","641","10.1107/S0108768106013966","","","0.71073","MoKα","","0.1458","0.0598","","","0.1097","0.141","","","","","","1.022","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100544","12.6218","0.0002","14.0932","0.0003","15.6948","0.0004","72.867","0.0007","71.328","0.0007","70.635","0.0009","2439.15","0.09","295","","295","","","","","","","","","4","P -1","-P 1","2","","N-[8-butyl-2-(2-furyl)-8H-pyrazolo[4,3-e][1,2,4] triazolo[1,5-c]pyrimidin-5-yl]N-(2-methoxyphenyl)urea 0.5 dioxane solvate","","- C26 H30 N8 O5 -","- C24 H22 N8 O4 -","- C96 H88 N32 O16 -","4","2","DE5026","V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli","Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists","Acta Crystallographica Section B","2006","62","4","634","641","10.1107/S0108768106013966","","","0.71073","MoKα","","0.1043","0.0609","","","0.148","0.1829","","","","","","1.039","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100545","10.149","0.0003","10.5112","0.0003","11.4025","0.0004","110.185","0.0018","97.964","0.0018","99.651","0.0013","1099.89","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","N-[8-methyl-2-(2-furyl)-9-(methylthio)-8H-pyrazolo [4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]N-(4-methoxyphenyl) urea hydrate","","- C20 H20 N8 O4 S -","- C20 H20 N8 O4 S -","- C40 H40 N16 O8 S2 -","2","1","DE5026","V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli","Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists","Acta Crystallographica Section B","2006","62","4","634","641","10.1107/S0108768106013966","","","0.7107","MoKα","","0.1031","0.058","","","0.1504","0.196","","","","","","1.108","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100546","4.2427","0.0004","5.9648","0.0005","10.5801","0.001","105.736","0.005","94.912","0.005","91.927","0.004","256.32","0.04","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","2-thiouracil","2-thioxo-2,3-dihydropyrimidin-4(1H)-one","","- C4 H4 N2 O S -","- C4 H4 N2 O S -","- C8 H8 N4 O2 S2 -","2","1","LC5044","Munshi, Parthapratim; Guru Row, T. N.","Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis","Acta Crystallographica Section B","2006","62","4","612","626","10.1107/S0108768106017393","","","0.71073","MoKα","","0.0149","0.0138","","","","0.0165","","","","","","1.9326","","","","has coordinates","192322","2020-10-21","18:00:00",""
"2100547","7.7161","0.0008","9.8337","0.001","7.5131","0.0008","90","","100.523","0.005","90","","560.49","0.1","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cytosine Monohydrate","","","- C4 H7 N3 O2 -","- C4 H7 N3 O2 -","- C16 H28 N12 O8 -","4","1","LC5044","Munshi, Parthapratim; Guru Row, T. N.","Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis","Acta Crystallographica Section B","2006","62","4","612","626","10.1107/S0108768106017393","","","0.71073","MoKa","","0.0295","0.0165","","","","0.015","","","","","","1.955","","","","has coordinates","192322","2020-10-21","18:00:00",""
"2100548","4.8818","0.0002","11.2009","0.0005","11.2335","0.0005","90","","92.621","0.002","90","","613.61","0.05","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Salicylic acid","2-hydroxybenzoic acid","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","LC5044","Munshi, Parthapratim; Guru Row, T. N.","Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis","Acta Crystallographica Section B","2006","62","4","612","626","10.1107/S0108768106017393","","","0.71073","MoKα","","0.0271","0.02","","","","0.0204","","","","","","1.9642","","","","has coordinates","192354","2020-10-21","18:00:00",""
"2100549","7.0192","","8.4063","","4.6264","","90","","108.611","","90","","258.708","","298","","293","","","","","","","","","3","C2/m(\a0\g)0s","","","chromium(II) diphosphate","","","- Cr2 O7 P2 -","- Cr4 O14 P10 -","- Cr8 O28 P20 -","2","","SN5033","Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert","The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate","Acta Crystallographica Section B","2006","62","4","556","566","10.1107/S0108768106010238","","","0.71073","MoKα","","0.0494","0.0227","","","0.0411","0.0577","","","","","","1.61","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100550","7.0464","","8.4073","","4.6394","","90","","108.708","","90","","260.322","","140","","140","","","","","","","","","3","C2/m(\a0\g)0s","","","chromium(II) diphosphate","","","- Cr2 O7 P2 -","- Cr2 O8 P4 -","- Cr4 O16 P8 -","2","","SN5033","Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert","The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate","Acta Crystallographica Section B","2006","62","4","556","566","10.1107/S0108768106010238","","","0.71073","MoKα","","0.0248","0.0205","","","0.0396","0.0435","","","","","","1.71","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100551","21.1392","","8.4073","","9.2788","","90","","108.708","","90","","1561.93","","140","","140","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","chromium(II) diphosphate","","","- Cr2 O7 P2 -","- Cr2 O7 P2 -","- Cr24 O84 P24 -","12","1.5","SN5033","Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert","The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate","Acta Crystallographica Section B","2006","62","4","556","566","10.1107/S0108768106010238","","","0.71073","MoKα","","2.48","2.05","","","3.96","4.35","","","","","","1.74","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2100552","4.3411","0.0007","14.756","0.002","9.69","0.002","90","","90.157","0.002","90","","620.71","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N2 O Se -","- C5 H6 N2 O Se -","- C20 H24 N8 O4 Se4 -","4","1","SO5003","C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson","Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives","Acta Crystallographica Section B","2006","62","4","580","591","10.1107/S0108768106011426","","","0.6775","synchrotron","","0.0264","0.0246","","","0.0727","0.0742","","","","","","0.803","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100553","8.394","0.002","10.029","0.002","14.931","0.004","101.023","0.004","100.893","0.004","105.705","0.004","1148.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 N2 O Se -","- C6 H8 N2 O Se -","- C36 H48 N12 O6 Se6 -","6","3","SO5003","C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson","Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives","Acta Crystallographica Section B","2006","62","4","580","591","10.1107/S0108768106011426","","","0.71073","MoKα","","0.0724","0.056","","","0.136","0.146","","","","","","1.03","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100554","10.568","0.007","11.257","0.007","28.79","0.02","90","","90","","90","","3425","4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H10 N2 O Se -","- C7 H10 N2 O Se -","- C112 H160 N32 O16 Se16 -","16","2","SO5003","C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson","Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives","Acta Crystallographica Section B","2006","62","4","580","591","10.1107/S0108768106011426","","","0.6775","synchrotron","","0.21","0.173","","","0.387","0.408","","","","","","1.18","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100555","8.9192","0.0009","10.6403","0.001","15.1965","0.0015","106.019","0.002","105.366","0.002","96.166","0.002","1311","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 N2 O Se -","- C7 H10 N2 O Se -","- C42 H60 N12 O6 Se6 -","6","3","SO5003","C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson","Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives","Acta Crystallographica Section B","2006","62","4","580","591","10.1107/S0108768106011426","","","0.71073","MoKα","","0.0355","0.028","","","0.0674","0.071","","","","","","1.04","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100556","8.841","0.003","11.259","0.003","12.424","0.004","90.45","0.005","105.35","0.004","92.945","0.005","1190.7","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Cl2 N2 O Se -","- C8 H12 Cl2 N2 O Se -","- C32 H48 Cl8 N8 O4 Se4 -","4","2","SO5003","C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson","Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives","Acta Crystallographica Section B","2006","62","4","580","591","10.1107/S0108768106011426","","","0.71073","MoKα","","0.0797","0.0523","","","0.0929","0.0985","","","","","","0.97","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100557","6.603","0.002","7.7","0.003","13.037","0.005","75.969","0.006","86.808","0.006","73.113","0.006","615.3","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H10 I2 N2 O Se -","- C7 H10 I2 N2 O Se -","- C14 H20 I4 N4 O2 Se2 -","2","1","SO5003","C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson","Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives","Acta Crystallographica Section B","2006","62","4","580","591","10.1107/S0108768106011426","","","0.71073","MoKα","","0.0652","0.0382","","","0.0834","0.0909","","","","","","0.87","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100558","4.833","0.0002","9.797","0.0005","14.1796","0.0008","83.49","0.003","84.431","0.003","89.353","0.003","663.91","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N8 O6 Se2 -","- C24 H30 N8 O6 Se2 -","- C24 H30 N8 O6 Se2 -","1","0.5","SO5003","C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson","Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives","Acta Crystallographica Section B","2006","62","4","580","591","10.1107/S0108768106011426","","","0.71073","MoKα","","0.0939","0.084","","","0.214","0.221","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2100559","5.0717","0.0006","11.8615","0.0014","11.9385","0.0014","83.161","0.002","82.785","0.002","84.358","0.002","704.9","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 N8 O4 Se2 -","- C28 H34 N8 O4 Se2 -","- C28 H34 N8 O4 Se2 -","1","0.5","SO5003","C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson","Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives","Acta Crystallographica Section B","2006","62","4","580","591","10.1107/S0108768106011426","","","0.6775","synchrotron","","0.0702","0.0415","","","0.0859","0.0968","","","","","","0.98","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100560","19.9444","0.001","19.9444","0.001","9.8918","0.001","90","","90","","120","","3407.6","0.4","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C126 H180 N36 O36 -","18","1","SO5003","C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson","Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives","Acta Crystallographica Section B","2006","62","4","580","591","10.1107/S0108768106011426","","","0.71073","MoKα","","0.0605","0.0441","","","0.124","0.131","","","","","","1.05","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100561","7.895","","5.5964","","5.5809","","90","","90.034","","90","","246.584","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- La O3 Ti0.5 Zn0.5 -","- La4 O12 Ti2 Zn2 -","- La4 O12 Ti2 Zn2 -","","","WS5035","R. Ubic; Y. Hu; I. Abrahams","Neutron and electron diffraction studies of La(Zn~1/2~Ti~1/2~)O~3~ perovskite","Acta Crystallographica Section B","2006","62","4","521","529","10.1107/S0108768106015527","","","1.54056","Cu-ka1","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2100562","11.7105","0.0001","7.1198","0.0001","6.8621","0.0001","90","","95.5627","0.0003","90","","569.443","0.013","5","","5","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","cyclohexanone","cyclohexanone","","- C6 D10 O -","- C6 D10 O -","- C24 D40 O4 -","4","1","WS5037","R. M. Ibberson","The low-temperature phase III structure and phase transition behaviour of cyclohexanone","Acta Crystallographica Section B","2006","62","4","592","598","10.1107/S0108768106015485","","neutron","","time-of-flightneutron","","","","","","","","","","1.86","","","","","","","has coordinates","282086","2023-03-28","13:50:54",""
"2100563","17.55","0.02","17.55","0.02","8.08","0.01","90","","90","","120","","2155","4","293","2","293","2","","","","","","","","3","P -3","-P 3","147","","","","- C4 H10 O -","- C4 H10 O -","- C72 H180 O18 -","18","3","WS5038","P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark","Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)","Acta Crystallographica, Section B","2006","62","4","599","605","10.1107/S0108768106015424","","","0.71073","MoKα","","0.2147","0.115","","","0.2598","0.2947","","","","","","1.015","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100564","18.0946","0.0013","18.0946","0.0013","8.4041","0.0009","90","","90","","120","","2383","0.4","220","2","220","2","","","","","","","","3","P -3","-P 3","147","","","","- C4 H10 O -","- C4 H10 O -","- C72 H180 O18 -","18","3","WS5038","P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark","Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C~4~H~10~O)","Acta Crystallographica Section B","2006","62","4","599","605","10.1107/S0108768106015424","","","0.71073","MoKα","","0.057","0.044","","","0.1221","0.1307","","","","","","1.069","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100565","6.0631","","9.0661","","14.4494","","85.248","","78.531","","75.8","","754.136","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C4 H10 O -","- C24 H60 O6 -","- C24 H60 O6 -","","","WS5038","P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark","Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)","Acta Crystallographica, Section B","2006","62","4","599","605","10.1107/S0108768106015424","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100566","6.2027","","9.1431","","14.7554","","86.373","","78.776","","76.363","","797.53","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C4 H10 O -","- C24 H60 O6 -","- C24 H60 O6 -","","","WS5038","P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark","Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)","Acta Crystallographica, Section B","2006","62","4","599","605","10.1107/S0108768106015424","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100567","17.4389","","17.4389","","8.021","","90","","90","","120","","2112.5","","","","","","","","","","","","","3","P -3","-P 3","147","","","","- C4 H10 O -","- C72 H180 O18 -","- C72 H180 O18 -","","","WS5038","P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark","Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)","Acta Crystallographica, Section B","2006","62","4","599","605","10.1107/S0108768106015424","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100568","17.5898","","17.5898","","8.1014","","90","","90","","120","","2170.76","","","","","","","","","","","","","3","P -3","-P 3","147","","","","- C4 H10 O -","- C72 H180 O18 -","- C72 H180 O18 -","","","WS5038","P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark","Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)","Acta Crystallographica, Section B","2006","62","4","599","605","10.1107/S0108768106015424","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100569","6.1741","0.00007","6.12484","0.00007","8.6522","0.00009","90","","90.2691","0.0006","90","","327.183","0.006","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Ba Bi O3 -","- Ba Bi O3 -","- Ba4 Bi4 O12 -","4","1","WS5040","Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi","Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~","Acta Crystallographica Section B","2006","62","4","537","546","10.1107/S0108768106018842","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100570","6.18505","0.00007","6.13219","0.00007","8.65846","0.0001","90","","90.2288","0.0006","90","","328.395","0.007","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- Ba Bi O3 -","- Ba Bi O3 -","- Ba4 Bi4 O12 -","4","0.5","WS5040","Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi","Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~","Acta Crystallographica Section B","2006","62","4","537","546","10.1107/S0108768106018842","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100571","6.17944","0.00013","6.17944","","15.0393","0.0003","90","","90","","120","","497.344","0.014","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ba Bi O3 -","- Ba Bi O3 -","- Ba6 Bi6 O18 -","6","0.333333","WS5040","Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi","Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~","Acta Crystallographica Section B","2006","62","4","537","546","10.1107/S0108768106018842","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100572","8.77586","0.00015","8.77586","","8.77586","","90","","90","","90","","675.879","0.012","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ba Bi O3 -","- Ba Bi O3 -","- Ba8 Bi8 O24 -","8","0.0416667","WS5040","Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi","Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~","Acta Crystallographica Section B","2006","62","4","537","546","10.1107/S0108768106018842","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100573","6.06777","0.00012","6.01862","0.00011","8.50818","0.00016","90","","90.2161","0.001","90","","310.713","0.01","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Ba2 Bi O6 Sb -","- Ba2 Bi O6 Sb -","- Ba4 Bi2 O12 Sb2 -","2","0.25","WS5040","Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi","Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~","Acta Crystallographica Section B","2006","62","4","537","546","10.1107/S0108768106018842","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100574","6.05716","0.00008","6.05716","","14.7813","0.0002","90","","90","","120","","469.658","0.009","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba2 Bi O6 Sb -","- Ba2 Bi O6 Sb -","- Ba6 Bi3 O18 Sb3 -","3","0.166667","WS5040","Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi","Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~","Acta Crystallographica Section B","2006","62","4","537","546","10.1107/S0108768106018842","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100575","8.5793","0.0002","8.57934","","8.57934","","90","","90","","90","","631.48","0.015","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba2 Bi O6 Sb -","- Ba2 Bi O6 Sb -","- Ba8 Bi4 O24 Sb4 -","4","0.0208333","WS5040","Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi","Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~","Acta Crystallographica Section B","2006","62","4","537","546","10.1107/S0108768106018842","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100576","10.9992","0.0001","10.9992","0.0001","6.7639","0.0002","90","","90","","120","","708.68","0.02","296","2","296","2","","","","","","","","4","P 63/m","-P 6c","176","","triethyl-1,3,5-triazine-2,4,6-tricarboxylate","","- C12 H15 N3 O6 -","- C12 H15 N3 O6 -","- C24 H30 N6 O12 -","2","0.166667","BM5031","Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.","Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives","Acta Crystallographica, Section B","2006","62","2","864","874","10.1107/S0108768106020921","","","1.54178","CuKα","","0.0819","0.0764","","","0.207","0.2121","","","","","","1.124","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100577","10.4105","0.0003","13.1294","0.0005","8.6735","0.0003","90","","98.222","0.002","90","","1173.34","0.07","293","","293","","","","","","","","","4","P 21/n","-P 2yn","14","1,3,5-tris(2-hydroxyethyl)cyanuric acid","1,3,5-tris(2-hydroxyethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","","- C9 H15 N3 O6 -","- C9 H15 N3 O6 -","- C36 H60 N12 O24 -","4","","BM5031","Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.","Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives","Acta Crystallographica, Section B","2006","62","2","864","874","10.1107/S0108768106020921","","","1.54056","CuKα~1~","","","","","","","","","","1.475","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100578","10.983","0.0003","10.983","0.0005","6.7555","0.0002","90","","90","","120","","705.72","0.04","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","triethyl-1,3,5-triazine-2,4,6-tricarboxylate","triethyl-1,3,5-triazine-2,4,6-tricarboxylate","","- C12 H15 N3 O6 -","- C12 H15 N3 O6 -","- C24 H30 N6 O12 -","2","0.166667","BM5031","Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.","Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives","Acta Crystallographica, Section B","2006","62","2","864","874","10.1107/S0108768106020921","","","1.54056","CuKα~1~","","","","","","","","","","1.9","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100579","11.3588","0.0001","11.3588","0.0001","20.2725","0.0003","90","","90","","120","","2265.18","0.04","293","","293","","","","","","","","","3","P 61","P 61","169","triethyl-1,3,5-benzenetricarboxylate","triethyl-1,3,5-benzenetricarboxylate","","- C15 H18 O6 -","- C15 H18 O6 -","- C90 H108 O36 -","6","1","BM5031","Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.","Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives","Acta Crystallographica, Section B","2006","62","2","864","874","10.1107/S0108768106020921","","","1.54056","CuKα~1~","","","","","","","","","","5.36","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100580","4.8591","0.0012","14.395","0.003","12.25","0.003","90","","92.151","0.016","90","","856.2","0.3","30","2","30","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","o-acetoamidobenzoic acid alpha polymorph","α-o-acetoamidobenzoic acid","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","BM5034","Broder, Charlotte K.; Barnett, Sarah A.; Gutmann, Matthias J.; Shankland, Kenneth; Wilson, Chick C.","Accurate molecular structures and hydrogen bonding in two polymorphs of <i>ortho</i>-acetamidobenzamide by single-crystal neutron diffraction","Acta Crystallographica Section B","2006","62","5","926","930","10.1107/S0108768106025821","","neutron","","neutron","","0.0572","0.0572","","","0.1278","0.1278","","","","","","1.043","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100581","7.788","0.001","8.972","0.002","12.547","0.002","90","","101.12","0.01","90","","860.2","0.3","30","2","30","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","o-acetoamidobenzoic acid beta polymorph","β-o-acetoamidobenzoic acid","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","BM5034","Broder, Charlotte K.; Barnett, Sarah A.; Gutmann, Matthias J.; Shankland, Kenneth; Wilson, Chick C.","Accurate molecular structures and hydrogen bonding in two polymorphs of <i>ortho</i>-acetamidobenzamide by single-crystal neutron diffraction","Acta Crystallographica Section B","2006","62","5","926","930","10.1107/S0108768106025821","","neutron","","neutron","","0.058","0.058","","","0.1476","0.1476","","","","","","1.033","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100582","13.1804","0.0003","7.5099","0.0002","13.8849","0.0003","90","","111.163","0.0012","90","","1281.68","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-iodophenyl)-3-nitrobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","BM5035","Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher","Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures","Acta Crystallographica, Section B","2006","62","2","931","943","10.1107/S0108768106029053","","","0.71073","MoKα","","0.0329","0.0252","","","0.0587","0.0624","","","","","","1.073","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100583","10.0528","0.0003","4.8703","0.001","13.5719","0.0003","90","","109.945","0.0017","90","","624.63","0.13","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","N-(2-iodophenyl)-4-nitrobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C26 H18 I2 N4 O6 -","2","1","BM5035","Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher","Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures","Acta Crystallographica, Section B","2006","62","2","931","943","10.1107/S0108768106029053","","","0.71073","MoKα","","0.0209","0.019","","","0.047","0.0479","","","","","","1.211","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100584","11.0552","0.0003","8.9521","0.0002","12.8921","0.0003","90","","96.3899","0.001","90","","1267.97","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(3-iodophenyl)-2-nitrobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","2","BM5035","Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher","Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures","Acta Crystallographica, Section B","2006","62","2","931","943","10.1107/S0108768106029053","","","0.71073","MoKα","","0.0215","0.0202","","","0.0452","0.0456","","","","","","1.108","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100585","13.8494","0.0004","10.0495","0.0003","9.4203","0.0003","90","","105.235","0.0016","90","","1265.03","0.07","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(3-iodophenyl)-3-nitrobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","BM5035","Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher","Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures","Acta Crystallographica, Section B","2006","62","2","931","943","10.1107/S0108768106029053","","","0.71073","MoKα","","0.0185","0.018","","","0.0525","0.0527","","","","","","1.244","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100586","7.4798","0.0002","14.0889","0.0007","11.8138","0.0006","90","","93.259","0.003","90","","1242.95","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3-iodophenyl)-4-nitrobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","BM5035","Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher","Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures","Acta Crystallographica, Section B","2006","62","2","931","943","10.1107/S0108768106029053","","","0.71073","MoKα","","0.0917","0.0838","","","0.2749","0.2857","","","","","","1.173","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100587","5.1047","0.0003","15.3015","0.0009","16.4806","0.0009","95.356","0.002","95.498","0.002","91.15","0.002","1275.23","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N-(4-iodophenyl)-4-nitrobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","2","BM5035","Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher","Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures","Acta Crystallographica, Section B","2006","62","2","931","943","10.1107/S0108768106029053","","","0.6712","synchrotron","","0.0334","0.0288","","","0.0716","0.0741","","","","","","1.043","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100588","7.9853","0.0018","8.959","0.002","9.055","0.002","103.228","0.003","100.715","0.003","99.844","0.004","604","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 N O5 Zn -","- C11 H11 N O5 Zn -","- C22 H22 N2 O10 Zn2 -","2","1","BM5038","S. M. Hawxwell; H. Adams; L. Brammer","Two-dimensional metal-organic frameworks containing linear dicarboxylates","Acta Crystallographica Section B","2006","62","5","808","814","10.1107/S0108768106033283","","","0.71073","MoKα","","0.063","0.0561","","","0.1548","0.1589","","","","","","1.169","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100589","19.236","0.004","10.588","0.002","16.247","0.003","90","","109.109","0.003","90","","3126.7","1.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 O14 Zn3 -","- C28 H24 O14 Zn3 -","- C112 H96 O56 Zn12 -","4","0.5","BM5038","S. M. Hawxwell; H. Adams; L. Brammer","Two-dimensional metal-organic frameworks containing linear dicarboxylates","Acta Crystallographica Section B","2006","62","5","808","814","10.1107/S0108768106033283","","","0.71073","MoKα","","0.0726","0.0415","","","0.0894","0.1015","","","","","","1.05","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100590","12.968","0.002","9.761","0.003","18.336","0.002","90","","108.69","0.03","90","","2198.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N4 O18 Zn3 -","- C36 H44 N4 O18 Zn3 -","- C72 H88 N8 O36 Zn6 -","2","0.5","BM5038","S. M. Hawxwell; H. Adams; L. Brammer","Two-dimensional metal-organic frameworks containing linear dicarboxylates","Acta Crystallographica Section B","2006","62","5","808","814","10.1107/S0108768106033283","","","0.846","synchrotron","","0.1346","0.0642","","","0.1175","0.133","","","","","","0.82","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100591","11.777","0.004","14.727","0.006","19.487","0.007","90","","101.748","0.007","90","","3309","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H66 N6 O18 Zn3 -","- C60 H66 N6 O18 Zn3 -","- C120 H132 N12 O36 Zn6 -","2","0.5","BM5038","S. M. Hawxwell; H. Adams; L. Brammer","Two-dimensional metal-organic frameworks containing linear dicarboxylates","Acta Crystallographica Section B","2006","62","5","808","814","10.1107/S0108768106033283","","","0.71073","MoKα","","0.1184","0.0709","","","0.1796","0.2068","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2100592","8.3096","0.0003","8.595","0.0003","5.4647","0.0003","90","","90","","90","","390.29","0.03","298","","298","","4500000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","BS5027","S. A. Moggach; W. G. Marshall; S. Parsons","High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa","Acta Crystallographica, Section B","2006","62","4","815","825","10.1107/S010876810601799X","","neutron","","Neutron","","","","","","","","","","0.385","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100593","6.87","0.0003","9.6396","0.0005","5.6058","0.0003","90","","90","","90","","371.24","0.03","298","","298","","5200000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","BS5027","S. A. Moggach; W. G. Marshall; S. Parsons","High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa","Acta Crystallographica, Section B","2006","62","4","815","825","10.1107/S010876810601799X","","neutron","","Neutron","","","","","","","","","","0.377","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2100594","6.6874","0.0003","9.5815","0.0006","5.5619","0.0003","90","","90","","90","","356.38","0.04","298","","298","","7300000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","BS5027","S. A. Moggach; W. G. Marshall; S. Parsons","High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa","Acta Crystallographica, Section B","2006","62","4","815","825","10.1107/S010876810601799X","","neutron","","Neutron","","","","","","","","","","0.386","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2100595","6.5477","0.0004","9.5405","0.0006","5.6092","0.0004","90","","90","","90","","350.4","0.04","298","","298","","8100000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","BS5027","S. A. Moggach; W. G. Marshall; S. Parsons","High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa","Acta Crystallographica, Section B","2006","62","4","815","825","10.1107/S010876810601799X","","neutron","","Neutron","","","","","","","","","","0.381","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2100596","11.037","0.002","16.419","0.003","7.1497","0.0014","90","","103.68","0.03","90","","1258.9","0.4","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C3 H4 K N3 O4 -","- C3 H4 K N3 O4 -","- C24 H32 K8 N24 O32 -","8","1","BS5033","G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke","Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system","Acta Crystallographica Section B","2006","62","5","798","807","10.1107/S0108768106025171","","","0.71073","MoKα","","0.0701","0.0576","","","0.1402","0.1508","","","","","","1.058","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100597","13.062","0.004","6.62","0.002","6.817","0.002","90","","90","","90","","589.5","0.3","150","2","150","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C3 H K2 N3 O3 -","- C3 H K2 N3 O3 -","- C12 H4 K8 N12 O12 -","4","0.25","BS5033","G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke","Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system","Acta Crystallographica Section B","2006","62","5","798","807","10.1107/S0108768106025171","","","0.71073","MoKα","","0.0275","0.0243","","","0.0617","0.0639","","","","","","1.148","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100598","12.8143","0.0015","16.3214","0.0019","11.8498","0.0014","90","","97.52","0.002","90","","2457","0.5","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 D17 K3 N12 O16 -","- C12 D17 K3 N12 O16 -","- C48 D68 K12 N48 O64 -","4","0.5","BS5033","G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke","Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system","Acta Crystallographica Section B","2006","62","5","798","807","10.1107/S0108768106025171","","","0.71073","MoKα","","0.0443","0.0335","","","0.088","0.0949","","","","","","1.071","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100599","12.824","0.002","16.332","0.003","23.713","0.004","90","","97.514","0.003","90","","4923.8","1.4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 D17 K3 N12 O16 -","- C12 D17 K3 N12 O16 -","- C96 D136 K24 N96 O128 -","8","1","BS5033","G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke","Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system","Acta Crystallographica Section B","2006","62","5","798","807","10.1107/S0108768106025171","","neutron","","neutron","","0.0678","0.0678","","","0.182","0.182","","","","","","1.033","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100600","13.1499","0.0015","16.6185","0.0019","11.8444","0.0013","90","","99.584","0.002","90","","2552.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H16 N12 O16 Rb3 -","- C12 H16 N12 O16 Rb3 -","- C48 H64 N48 O64 Rb12 -","4","0.5","BS5033","G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke","Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system","Acta Crystallographica Section B","2006","62","5","798","807","10.1107/S0108768106025171","","","0.71073","MoKα","","0.0485","0.0338","","","0.0723","0.0774","","","","","","1.141","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100601","6.6614","0.0001","13.3104","0.0002","7.4914","0.0001","90","","90","","90","","664.232","0.017","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Levoglucosan","1,6-anhydro-beta-D-glucopyranose","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","BS5034","L. Smrcok; M. Sládkovicová; V. Langer; C. C. Wilson; M. Koós","On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study","Acta Crystallographica, Section B","2006","62","2","912","918","10.1107/S010876810602489X","","","0.71073","MoKα","","0.0389","0.032","","","0.0779","0.0832","","","","","","1.022","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2100602","6.656","0.0001","13.314","0.0002","7.468","0.0001","90","","90","","90","","661.799","0.017","100","1","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Levoglucosan","1,6-anhydro-beta-D-glucopyranose","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","BS5034","L. Smrcok; M. Sládkovicová; V. Langer; C. C. Wilson; M. Koós","On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study","Acta Crystallographica, Section B","2006","62","2","912","918","10.1107/S010876810602489X","","neutron","","neutron","","0.0699","0.0698","","","0.181","0.1812","","","","","","1.208","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2100603","8.0348","0.0015","5.8899","0.0008","8.565","0.003","90","","123.59","0.02","90","","337.65","0.16","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","naphthalene","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.0999","0.0707","","","0.1578","0.1807","","","","","","1.225","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100604","7.9948","0.0012","5.8726","0.0008","8.542","0.002","90","","123.677","0.016","90","","333.74","0.12","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","naphthalene","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.0919","0.0624","","","0.1754","0.197","","","","","","1.073","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100605","7.8523","0.0011","5.8106","0.0009","8.474","0.002","90","","124.027","0.016","90","","320.44","0.12","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","naphthalene","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.1326","0.0963","","","0.1835","0.2013","","","","","","1.158","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100606","7.6778","0.0017","5.721","0.001","8.395","0.003","90","","124.55","0.02","90","","303.71","0.16","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","naphthalene","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.1573","0.1204","","","0.2932","0.3256","","","","","","1.139","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100607","15.35","0.09","3.852","0.003","8.65","0.07","90","","103.3","0.4","90","","498","5","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","pyrene","","","- C16 H10 -","- C16 H10 -","- C32 H20 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.2523","0.1182","","","0.3024","0.4076","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100608","15.309","0.004","3.8375","0.0005","8.3341","0.0016","90","","102.606","0.019","90","","477.81","0.17","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","pyrene","","","- C16 H10 -","- C16 H10 -","- C32 H20 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.2227","0.1336","","","0.3232","0.4006","","","","","","1.111","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100609","4.1772","0.00004","4.1772","0.00004","26.3246","0.0004","90","","90","","120","","397.8","0.008","298","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","","","- Al Ca Si -","- Al Ca Si -","- Al6 Ca6 Si6 -","6","0.5","CK5016","K. M. Sparta; R. Müller; M. Merz; G. Roth; P. Adelmann; T. Wolf","Modulated corrugations in the crystal structure of the superconductor CaAlSi","Acta Crystallographica, Section B","2006","62","1","710","718","10.1107/S0108768106025900","","","0.71073","MoKα","","","0.03","","","","0.0817","","","","","","1.961","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2100610","4.1772","0.00004","4.1772","0.00004","21.9372","0.0003","90","","90","","120","","331.5","0.006","298","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","","","- Al Ca Si -","- Al Ca Si -","- Al5 Ca5 Si5 -","5","0.416667","CK5016","K. M. Sparta; R. Müller; M. Merz; G. Roth; P. Adelmann; T. Wolf","Modulated corrugations in the crystal structure of the superconductor CaAlSi","Acta Crystallographica, Section B","2006","62","1","710","718","10.1107/S0108768106025900","","","0.71073","MoKα","","","0.0345","","","","0.0863","","","","","","1.993","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2100611","4.0904","","2.9755","","4.7359","","90","","90.2935","","90","","57.6416","","295","","","","","","","","","","","3","P2/m(\a1/2\g)00","","","","","","- Ga0.444 O3.556 Ti1.444 -","- Ga3.26 O12 Ti1.884 -","- Ga3.26 O12 Ti1.884 -","1","","CK5017","Michiue, Yuichi; Yamamoto, Akiji; Tanaka, Masahiko","Superspace description of the homologous series Ga~4~Ti~m-4~O~2m-2~ with the crystallographic shear structure based on rutile","Acta Crystallographica, Section B","2006","62","2","737","744","10.1107/S010876810602369X","","","0.8","synchrotron","","0.0408","0.0398","","","0.0387","0.0387","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100612","3.6733","0.0004","6.312","0.0005","11.9039","0.0012","92.484","0.008","90.687","0.009","89.941","0.008","275.72","0.05","","","293","","","","","","","","","5","C -1","","","","","","- Cu0.299 Pb0.951 S3.357 Sb0.406 Sn0.851 -","- Cu0.298 Pb1.402 S4 Sb0.598 Sn0.851 -","- Cu0.596 Pb2.804 S8 Sb1.196 Sn1.702 -","2","","CK5020","M. Evain; V. Petricek; Y. Moëlo; C. Maurel","First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals","Acta Crystallographica Section B","2006","62","5","775","789","10.1107/S010876810602547X","","","0.71069","MoKα","","0.0741","0.0741","","","0.0895","0.0895","","","","","","2.65","","","","has coordinates","277835","2022-09-14","16:54:50",""
"2100613","27.299","0.002","5.4343","0.0002","17.576","0.001","90","","116.215","0.002","90","","2339.2","0.3","295","","295","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(2Z)-1-(2-hydroxyphenyl)-3-phenyl-1,3-propanedione enol","","- C15 H12 O3 -","- C15 H12 O3 -","- C120 H96 O24 -","8","1","DE5027","V. Bertolasi; L. Pretto; G. Gilli; P. Gilli","π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)","Acta Crystallographica, Section B","2006","62","4","850","863","10.1107/S0108768106020933","","","0.7107","MoKα","","0.0865","0.0554","","","0.1247","0.1469","","","","","","1.114","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100614","13.932","0.001","5.3108","0.0002","17.878","0.001","90","","105.137","0.003","90","","1276.9","0.1","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2Z)-1-(2-hydroxy-5-chlorophenyl)-3-phenyl-1,3-propanedione enol","","- C15 H11 Cl O3 -","- C15 H11 Cl O3 -","- C60 H44 Cl4 O12 -","4","1","DE5027","V. Bertolasi; L. Pretto; G. Gilli; P. Gilli","π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)","Acta Crystallographica, Section B","2006","62","4","850","863","10.1107/S0108768106020933","","","0.7107","MoKα","","0.0832","0.0552","","","0.1306","0.155","","","","","","1.111","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100615","17.602","0.001","6.8423","0.0002","21.662","0.001","90","","90","","90","","2609","0.2","295","","295","","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2Z)-1-(2-hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione enol","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","2","DE5027","V. Bertolasi; L. Pretto; G. Gilli; P. Gilli","π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)","Acta Crystallographica, Section B","2006","62","4","850","863","10.1107/S0108768106020933","","","0.7107","MoKα","","0.1214","0.0519","","","0.104","0.1283","","","","","","1","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100616","14.147","0.001","5.33","0.0003","18.618","0.002","90","","104.777","0.004","90","","1357.4","0.2","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2Z)-1-(2-hydroxy-4-methyl-5-chlorophenyl)-3-phenyl-1,3-propanedione enol","","- C16 H13 Cl O3 -","- C16 H13 Cl O3 -","- C64 H52 Cl4 O12 -","4","1","DE5027","V. Bertolasi; L. Pretto; G. Gilli; P. Gilli","π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)","Acta Crystallographica, Section B","2006","62","4","850","863","10.1107/S0108768106020933","","","0.7107","MoKα","","0.0836","0.0554","","","0.1327","0.1602","","","","","","1.122","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100617","5.6849","0.0001","9.028","0.0002","14.8742","0.0004","74.923","0.001","83.543","0.002","71.815","0.002","699.89","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cl N O6 -","- C14 H14 Cl N O6 -","- C28 H28 Cl2 N2 O12 -","2","1","DE5027","V. Bertolasi; L. Pretto; G. Gilli; P. Gilli","π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)","Acta Crystallographica, Section B","2006","62","4","850","863","10.1107/S0108768106020933","","","0.7107","MoKα","","0.0413","0.0349","","","0.079","0.0835","","","","","","1.102","","","","has coordinates","209451","2020-10-21","18:00:00",""
"2100618","11.359","0.003","18.383","0.004","23.325","0.007","90","","90","","90","","4871","2","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H67 N9 O11 S -","- C45 H60 N9 O11 S -","- C180 H240 N36 O44 S4 -","4","1","GP5007","Altamura, Maria R.; Dapporto Paolo; Fedi, Valentina; Giolitti, Alessandro; Guerri, Annalisa; Guidi, Antonio; Paoli, Paola; Rossi, Patrizia","New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies","Acta Crystallographica, Section B","2006","62","4","889","896","10.1107/S0108768106018167","","","1.5418","CuKα","","0.0634","0.0524","","","0.1284","0.1382","","","","","","1.033","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100619","14.0346","0.0008","9.8834","0.0007","25.617","0.002","90","","98.152","0.003","90","","3517.4","0.4","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H48 N4 O4 S -","- C37 H48 N4 O4 S -","- C148 H192 N16 O16 S4 -","4","2","GP5007","Altamura, Maria R.; Dapporto Paolo; Fedi, Valentina; Giolitti, Alessandro; Guerri, Annalisa; Guidi, Antonio; Paoli, Paola; Rossi, Patrizia","New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies","Acta Crystallographica, Section B","2006","62","4","889","896","10.1107/S0108768106018167","","","1.54184","CuKα","","0.1058","0.0748","","","0.1697","0.1868","","","","","","1.069","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100620","7.851","0.003","21.976","0.005","11.332","0.004","90","","90","0.03","90","","1955.2","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H31 N5 O15 P2 -","- C6 H31 N5 O15 P2 -","- C24 H124 N20 O60 P8 -","4","2","GP5011","Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz","Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate","Acta Crystallographica, Section B","2006","62","2","919","925","10.1107/S0108768106023573","","","0.71073","MoKα","","0.087","0.0463","","","0.0806","0.0867","","","","","","1.148","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100621","7.851","0.003","21.976","0.005","5.666","0.002","90","","90","","90","","977.6","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H31 N5 O15 P2 -","- C6 H31 N5 O15 P2 -","- C12 H62 N10 O30 P4 -","2","0.5","GP5011","Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz","Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate","Acta Crystallographica, Section B","2006","62","2","919","925","10.1107/S0108768106023573","","","0.71073","MoKα","","0.0498","0.0394","","","0.0986","0.1027","","","","","","1.016","","","","has coordinates,has disorder","277834","2022-09-14","16:39:44",""
"2100622","7.851","0.002","22.048","0.004","11.325","0.003","90","","90.04","0.02","90","","1960.3","0.8","50","2","50","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H31 N5 O15 P2 -","- C6 H31 N5 O15 P2 -","- C24 H124 N20 O60 P8 -","4","2","GP5011","Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz","Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate","Acta Crystallographica, Section B","2006","62","2","919","925","10.1107/S0108768106023573","","","0.71073","MoKα","","0.0867","0.0446","","","0.0972","0.1074","","","","","","1.003","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100623","7.855","0.002","22.105","0.004","11.317","0.003","90","","90.05","0.02","90","","1965","0.8","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H31 N5 O15 P2 -","- C6 H31 N5 O15 P2 -","- C24 H124 N20 O60 P8 -","4","2","GP5011","Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz","Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate","Acta Crystallographica, Section B","2006","62","2","919","925","10.1107/S0108768106023573","","","0.71073","MoKα","","0.1051","0.0442","","","0.0823","0.0923","","","","","","1.006","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100624","7.861","0.002","22.163","0.004","11.315","0.003","90","","90.06","0.02","90","","1971.3","0.8","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H31 N5 O15 P2 -","- C6 H31 N5 O15 P2 -","- C24 H124 N20 O60 P8 -","4","2","GP5011","Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz","Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate","Acta Crystallographica, Section B","2006","62","2","919","925","10.1107/S0108768106023573","","","0.71073","MoKα","","0.0971","0.0472","","","0.1088","0.1223","","","","","","1.005","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100625","14.331","0.007","4.535","0.002","6.514","0.003","90","","91.67","0.02","90","","423.2","0.3","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- H2 O4 P Tl -","- H2 O4 P Tl -","- H8 O16 P4 Tl4 -","4","1","LC5039","Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.","Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature","Acta Crystallographica, Section B","2006","62","4","719","728","10.1107/S0108768106018222","","neutron","1.2413","neutron","","","0.051","","","","0.0603","","","","","","3.9","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100626","14.26","0.02","4.517","0.009","6.497","0.01","90","","92.19","0.13","90","","418.2","1.1","240","","240","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- H2 O4 P Tl -","- H2 O4 P Tl -","- H8 O16 P4 Tl4 -","4","1","LC5039","Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.","Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature","Acta Crystallographica, Section B","2006","62","4","719","728","10.1107/S0108768106018222","","neutron","0.8724","neutron","","","0.0458","","","","0.0544","","","","","","2.21","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100627","28.483","0.012","9.016","0.005","6.502","0.003","90.09","0.05","92.21","0.03","90.49","0.03","1668.4","1.4","210","","210","","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- H8 O16 P4 Tl4 -","- H2 O4 P Tl -","- H32 O64 P16 Tl16 -","16","","LC5039","Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.","Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature","Acta Crystallographica, Section B","2006","62","4","719","728","10.1107/S0108768106018222","","neutron","0.8724","neutron","","","0.0458","","","","0.0544","","","","","","1.933","","","","has coordinates","288351","2023-12-15","18:00:08",""
"2100628","7.595","0.0004","7.595","0.0004","12.0731","0.0006","90","","90","","120","","603.12","0.05","","","300","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- Ag14.585 As0.337 Cu1.415 S8.341 Sb1.663 Se2.659 -","- Ag14.58 As0.34 Cu1.42 S8.34 Sb1.66 Se2.66 -","- Ag14.58 As0.34 Cu1.42 S8.34 Sb1.66 Se2.66 -","1","0.0833333","LC5047","M. Evain; L. Bindi; S. Menchetti","Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2]","Acta Crystallographica, Section B","2006","62","4","768","774","10.1107/S0108768106022798","","","0.71069","MoKα","","0.0768","0.0489","","","0.0575","0.0596","","","","","","1.8","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2100629","13.1426","0.0014","7.5879","0.0007","23.729","0.004","90","","90","","90","","2366.4","0.5","","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ag14.691 Cu1.309 S8.369 Sb2 Se2.631 -","- Ag14.691 Cu1.309 S8.37 Sb2 Se2.63 -","- Ag58.764 Cu5.236 S33.48 Sb8 Se10.52 -","4","1","LC5047","M. Evain; L. Bindi; S. Menchetti","Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2]","Acta Crystallographica, Section B","2006","62","4","768","774","10.1107/S0108768106022798","","","0.71069","MoKα","","0.0994","0.0692","","","0.0731","0.0758","","","","","","1.8","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2100630","8.367","0.0002","8.4724","0.0002","23.6852","0.0005","90","","92.514","0.001","90","","1677.39","0.07","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-O-Methylalpinumisoflavone","","","- C21 H18 O5 -","- C21 H18 O5 -","- C84 H72 O20 -","4","1","SN5034","R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida","Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone","Acta Crystallographica, Section B","2006","62","4","843","849","10.1107/S0108768106019616","","","0.71073","MoKα","","0.0791","0.0296","","","","0.0208","","","","","","1.1422","","","","has coordinates","192324","2020-10-21","18:00:00",""
"2100631","9.0604","0.0007","19.0147","0.0014","10.5963","0.0008","90","","101.333","0.002","90","","1789.9","0.2","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","O,O-Dimethylalpinumisoflavone","","","- C22 H20 O5 -","- C22 H20 O5 -","- C88 H80 O20 -","4","1","SN5034","R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida","Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone","Acta Crystallographica, Section B","2006","62","4","843","849","10.1107/S0108768106019616","","","0.71073","MoKα","","0.1214","0.0428","","","","0.0279","","","","","","1.3036","","","","has coordinates","192325","2020-10-21","18:00:00",""
"2100632","11.9602","0.0003","18.6249","0.0005","19.9648","0.0005","90","","90","","90","","4447.3","0.2","120","","120","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C52 H52 O10 -","- C52 H52 O10 -","- C208 H208 O40 -","4","1","SN5034","R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida","Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone","Acta Crystallographica, Section B","2006","62","4","843","849","10.1107/S0108768106019616","","","0.71073","MoKα","","0.0481","0.0286","","","","0.0213","","","","","","1.5864","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2100633","12.3378","0.0015","14.417","0.002","16.1439","0.0016","100.927","0.009","106.487","0.008","104.11","0.01","2565","0.6","","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H36 Mo8 N4 O30 -","- C12 H28 Mo8 N4 O30 -","- C36 H84 Mo24 N12 O90 -","3","1.5","SN5039","M. Evain; V. Petricek; V. Coué; R. Dessapt; M. Bujoli-Doeuff; S. Jobic","Commensurate (C6H14N2)2[Mo8O26]·4H2O and incommensurate (C6H14N2)2[Mo8O26]·4.66H2O: a structural versatility linked to solvent content","Acta Crystallographica, Section B","2006","62","2","790","797","10.1107/S0108768106025791","","","0.71069","MoKα","","0.1146","0.0576","","","0.1076","0.1351","","","","","","1.43","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2100634","7.8907","0.0005","10.0855","0.0003","12.4131","0.0008","113.685","0.004","92.857","0.007","101.244","0.005","878.2","0.09","","","293","","","","","","","","","5","P-1(\a\b\g)0","","","","","","- C12 H37.32 Mo8 N4 O30.66 -","- C12 H28 Mo8 N4 O30.682 -","- C12 H28 Mo8 N4 O30.682 -","1","","SN5039","M. Evain; V. Petricek; V. Coué; R. Dessapt; M. Bujoli-Doeuff; S. Jobic","Commensurate (C6H14N2)2[Mo8O26]·4H2O and incommensurate (C6H14N2)2[Mo8O26]·4.66H2O: a structural versatility linked to solvent content","Acta Crystallographica, Section B","2006","62","2","790","797","10.1107/S0108768106025791","","","0.71069","MoKα","","0.1076","0.0517","","","0.1194","0.1327","","","","","","1.34","","","","has coordinates","198633","2020-10-21","18:00:00",""
"2100635","5.1979","0.0004","5.1979","","13.339","0.002","90","","90","","120","","312.11","0.05","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100636","2.9034","0.0012","2.9034","","2.8397","0.0021","90","","90","","120","","20.731","0.012","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100637","3.5451","0.0024","3.5451","","3.5451","","90","","90","","90","","44.56","0.09","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100638","5.0094","0.0005","5.0094","","13.3971","0.0021","90","","90","","120","","291.15","0.05","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100639","2.9039","0.0023","2.9039","","2.8293","0.0035","90","","90","","120","","20.662","0.018","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100640","3.5359","0.0025","3.5359","","3.5359","","90","","90","","90","","44.21","0.09","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100641","4.919","0.0005","4.919","","13.4307","0.002","90","","90","","120","","281.44","0.05","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100642","2.896","0.0018","2.896","","2.8389","0.0028","90","","90","","120","","20.62","0.014","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100643","3.5315","0.003","3.5315","","3.5315","","90","","90","","90","","44.04","0.11","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100644","4.7683","0.0005","4.7683","","13.4386","0.0022","90","","90","","120","","264.61","0.05","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100645","2.8934","0.0016","2.8934","","2.8315","0.0024","90","","90","","120","","20.528","0.013","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100646","3.5251","0.002","3.5251","","3.5251","","90","","90","","90","","43.8","0.08","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100647","4.6866","0.0006","4.6866","","13.3677","0.003","90","","90","","120","","254.27","0.07","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100648","2.89","0.0021","2.89","","2.8212","0.0032","90","","90","","120","","20.406","0.017","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100649","3.5194","0.0031","3.5194","","3.5194","","90","","90","","90","","43.59","0.12","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100650","5.1145","0.0005","5.1145","","13.347","0.002","90","","90","","120","","302.36","0.05","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100651","2.9036","0.0017","2.9036","","2.828","0.003","90","","90","","120","","20.646","0.014","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100652","3.54","0.002","3.5398","","3.5398","","90","","90","","90","","44.36","0.09","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100653","4.9636","0.0005","4.9636","","13.419","0.002","90","","90","","120","","286.32","0.05","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100654","2.9017","0.0018","2.9017","","2.834","0.003","90","","90","","120","","20.668","0.014","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100655","3.533","0.003","3.5327","","3.5327","","90","","90","","90","","44.09","0.1","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100656","4.84","0.0004","4.84","","13.4413","0.0019","90","","90","","120","","272.69","0.04","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100657","2.8991","0.0016","2.8991","","2.834","0.003","90","","90","","120","","20.624","0.013","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100658","3.532","0.002","3.5316","","3.5316","","90","","90","","90","","44.04","0.09","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100659","4.7202","0.0005","4.7202","","13.411","0.002","90","","90","","120","","258.77","0.05","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100660","2.889","0.0016","2.889","","2.827","0.003","90","","90","","120","","20.434","0.014","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100661","3.521","0.002","3.5206","","3.5206","","90","","90","","90","","43.64","0.09","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the Compression Mechanism of FeF3","Acta Crystallographica, Section B","2006","62","6","987","992","10.1107/S0108768106030023","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100662","5.1404","0.001","11.363","0.002","9.885","0.002","90","","96.21","0.03","90","","574","0.19","295","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,3-trichloropropane","1,2,3-trichloropropane","","- C3 H5 Cl3 -","- C3 H5 Cl3 -","- C12 H20 Cl12 -","4","1","AV5065","Marcin Podsiad{λ}o; Andrzej Katrusiak","Pressure-frozen 1,2,3-trichloropropane","Acta Crystallographica Section B","2006","62","6","1071","1077","10.1107/S0108768106030229","","","0.71073","MoKα","","0.0798","0.0625","","","0.1508","0.1668","","","","","","1.033","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100663","5.1285","0.001","11.377","0.002","9.859","0.002","90","","96.13","0.03","90","","571.95","0.19","295","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,3-trichloropropane","","","- C3 H5 Cl3 -","- C3 H5 Cl3 -","- C12 H20 Cl12 -","4","1","AV5065","Marcin Podsiad{λ}o; Andrzej Katrusiak","Pressure-frozen 1,2,3-trichloropropane","Acta Crystallographica Section B","2006","62","6","1071","1077","10.1107/S0108768106030229","","","0.71073","MoKα","","0.0718","0.0607","","","0.151","0.1616","","","","","","1.021","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100664","5.065","0.001","7.181","0.001","5.508","0.001","90","","115.07","0.03","90","","181.46","0.07","224","2","224","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ethylenediamine","1,2-diaminoethane phase I alpha","","- C2 H8 N2 -","- C2 H8 N2 -","- C4 H16 N4 -","2","0.5","AV5066","Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej","Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure","Acta Crystallographica Section B","2006","62","6","1078","1089","10.1107/S010876810602982X","","","0.71073","MoKα","","0.0575","0.0451","","","0.1232","0.1324","","","","","","1.111","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100665","5.07","0.001","7.185","0.001","5.501","0.001","90","","115.11","0.03","90","","181.45","0.07","243","2","243","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ethylenediamine","1,2-diaminoethane phase I alpha","","- C2 H8 N2 -","- C2 H8 N2 -","- C4 H16 N4 -","2","0.5","AV5066","Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej","Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure","Acta Crystallographica Section B","2006","62","6","1078","1089","10.1107/S010876810602982X","","","0.71073","MoKα","","0.0464","0.0398","","","0.1071","0.1121","","","","","","1.105","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2100666","5.102","0.001","7.197","0.001","5.535","0.001","90","","115.18","0.03","90","","183.93","0.07","274","2","274","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ethylenediamine","1,2-diaminoethane phase I alpha","","- C2 H8 N2 -","- C2 H8 N2 -","- C4 H16 N4 -","2","0.5","AV5066","Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej","Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure","Acta Crystallographica Section B","2006","62","6","1078","1089","10.1107/S010876810602982X","","","0.71073","MoKα","","0.1","0.085","","","0.1958","0.2101","","","","","","1.035","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100667","5.078","0.005","7.204","0.008","5.528","0.012","90","","115.24","0.18","90","","182.9","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ethylenediamine","1,2-diaminoethane phase I alpha","","- C2 H8 N2 -","- C2 H8 N2 -","- C4 H16 N4 -","2","0.5","AV5066","Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej","Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure","Acta Crystallographica Section B","2006","62","6","1078","1089","10.1107/S010876810602982X","","","0.71073","MoKα","","0.108","0.0838","","","0.1209","0.1297","","","","","","1.245","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100668","4.949","0.006","7.704","0.008","4.96","0.03","90","","116.7","1.1","90","","168.9","1.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ethylenediamine","1,2-diaminoethane phase I beta","","- C2 H8 N2 -","- C2 H8 N2 -","- C4 H16 N4 -","2","0.5","AV5066","Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej","Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure","Acta Crystallographica Section B","2006","62","6","1078","1089","10.1107/S010876810602982X","","","0.71073","MoKα","","0.146","0.1423","","","0.2646","0.2664","","","","","","1.76","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100669","4.82","0.05","7.563","0.005","4.873","0.018","90","","114.5","0.8","90","","162","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ethylenediamine","1,2-diaminoethane phase I beta","","- C2 H8 N2 -","- C2 H8 N2 -","- C4 H16 N4 -","2","0.5","AV5066","Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej","Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure","Acta Crystallographica Section B","2006","62","6","1078","1089","10.1107/S010876810602982X","","","0.71073","MoKα","","0.0879","0.0637","","","0.1739","0.2116","","","","","","0.959","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100670","9.69","0.1","7.488","0.005","4.849","0.014","90","","114","0.7","90","","321","4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ethylenediamine","1,2-diaminoethane phase I gamma","","- C2 H8 N2 -","- C2 H8 N2 -","- C8 H32 N8 -","4","1","AV5066","Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej","Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure","Acta Crystallographica Section B","2006","62","6","1078","1089","10.1107/S010876810602982X","","","0.71073","MoKα","","0.241","0.2374","","","0.4312","0.4331","","","","","","1.393","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100671","5.1","0.03","5.212","0.002","7.262","0.012","90","","111.6","0.4","90","","179.5","1.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ethylenediamine","1,2-diaminoethane phase II","","- C2 H8 N2 -","- C2 H8 N2 -","- C4 H16 N4 -","2","0.5","AV5066","Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej","Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure","Acta Crystallographica Section B","2006","62","6","1078","1089","10.1107/S010876810602982X","","","0.71073","MoKα","","0.0681","0.0552","","","0.0966","0.1036","","","","","","1.096","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100672","5.031","0.01","5.132","0.003","7.167","0.005","90","","110.6","0.12","90","","173.2","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ethylenediamine","1,2-diaminoethane phase II","","- C2 H8 N2 -","- C2 H8 N2 -","- C4 H16 N4 -","2","0.5","AV5066","Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej","Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure","Acta Crystallographica Section B","2006","62","6","1078","1089","10.1107/S010876810602982X","","","0.71073","MoKα","","0.0886","0.0737","","","0.2315","0.2533","","","","","","1.215","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100673","4.9921","0.0018","5.137","0.004","7.2","0.004","90","","110.87","0.05","90","","172.53","0.19","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ethylenediamine","1,2-diaminoethane phase II","","- C2 H8 N2 -","- C2 H8 N2 -","- C4 H16 N4 -","2","0.5","AV5066","Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej","Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure","Acta Crystallographica Section B","2006","62","6","1078","1089","10.1107/S010876810602982X","","","0.71073","MoKα","","0.0653","0.0585","","","0.1394","0.1486","","","","","","1.074","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100674","8.2033195","0.0000004","8.2033195","0.0000004","4.3941092","0.000001","90","","90","","120","","256.083","0.00006","273","","298","","","","","","","","","3","P 3","P 3","143","Gallium Arseniate","","","- As Ga O4 -","- As0.75 Ga0.75 Ge0.75 O4.5 -","- As3 Ga3 Ge3 O18 -","4","1.33333","AV5074","Santamaría-Pérez, David; Haines, Julien; Amador, Ulises; Morán, Emilio; Vegas, Angel","Structural characterization of a new high-pressure phase of GaAsO~4~","Acta Crystallographica Section B","2006","62","6","1019","1024","10.1107/S0108768106039760","","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100675","11.0771","0.0005","11.0771","0.0005","11.0771","0.0005","90","","90","","90","","1359.18","0.11","273","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- As2 O3 -","- As2 O2.99994 -","- As32 O47.999 -","16","0.0833333","AV5074","Santamaría-Pérez, David; Haines, Julien; Amador, Ulises; Morán, Emilio; Vegas, Angel","Structural characterization of a new high-pressure phase of GaAsO~4~","Acta Crystallographica Section B","2006","62","6","1019","1024","10.1107/S0108768106039760","","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100676","12.031","0.002","4.3385","0.0009","14.795","0.003","90","","109.51","0.03","90","","727.9","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","methylene bromide","Dibromomethane","","- C H2 Br2 -","- C H2 Br2 -","- C8 H16 Br16 -","8","1","BK5037","Marcin Podsiad{λ}o; Kamil F. Dziubek; Marek Szafranski; Andrzej Katrusiak","Molecular interactions in crystalline dibromomethane and diiodomethane, and the stabilities of their high-pressure and low-temperature phases","Acta Crystallographica Section B","2006","62","6","1090","1098","10.1107/S0108768106034963","","","0.71073","MoKα","","0.1616","0.0676","","","0.1293","0.1486","","","","","","0.891","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100677","7.3128","0.0015","13.074","0.003","4.7465","0.0009","90","","90","","90","","453.8","0.16","293","2","293","2","","","","","","","","3","F m m 2","F 2 -2","42","methylene iodide","Diiodomethane","","- C H2 I2 -","- C H2 I2 -","- C4 H8 I8 -","4","0.25","BK5037","Marcin Podsiad{λ}o; Kamil F. Dziubek; Marek Szafranski; Andrzej Katrusiak","Molecular interactions in crystalline dibromomethane and diiodomethane, and the stabilities of their high-pressure and low-temperature phases","Acta Crystallographica Section B","2006","62","6","1090","1098","10.1107/S0108768106034963","","","0.71073","MoKα","","0.0279","0.0264","","","0.0759","0.0764","","","","","","1.334","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100678","7.411","0.003","13.137","0.004","4.7942","0.0015","90","","90","","90","","466.8","0.3","2702","","293","2","","","","","","","","3","F m m 2","F 2 -2","42","methylene iodide","Diiodomethane","","- C H2 I2 -","- C H2 I2 -","- C4 H8 I8 -","4","0.25","BK5037","Marcin Podsiad{λ}o; Kamil F. Dziubek; Marek Szafranski; Andrzej Katrusiak","Molecular interactions in crystalline dibromomethane and diiodomethane, and the stabilities of their high-pressure and low-temperature phases","Acta Crystallographica Section B","2006","62","6","1090","1098","10.1107/S0108768106034963","","","0.71073","MoKα","","0.0653","0.063","","","0.1738","0.1769","","","","","","1.138","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100679","8.9727","0.0002","9.7552","0.0002","10.0208","0.0002","89.081","0.001","71.002","0.001","85.786","0.001","827.08","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O -","- C22 H19 N O -","- C44 H38 N2 O2 -","2","1","BK5040","V. Bertolasi; L. Pretto; V. Ferretti; P. Gilli; G. Gilli","Interplay between steric and electronic factors in determining the strength of intramolecular N—H···O resonance-assisted hydrogen bonds in β-enaminones","Acta Crystallographica Section B","2006","62","6","1112","1120","10.1107/S0108768106036421","","","0.7107","MoKα","","0.0638","0.0487","","","0.1099","0.1204","","","","","","1.065","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100680","14.238","0.0003","14.3109","0.0003","16.8047","0.0003","90","","90","","90","","3424.1","0.12","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C176 H152 N8 O16 -","8","1","BK5040","V. Bertolasi; L. Pretto; V. Ferretti; P. Gilli; G. Gilli","Interplay between steric and electronic factors in determining the strength of intramolecular N—H···O resonance-assisted hydrogen bonds in β-enaminones","Acta Crystallographica Section B","2006","62","6","1112","1120","10.1107/S0108768106036421","","","0.7107","MoKα","","0.0721","0.0562","","","0.1123","0.1318","","","","","","1.351","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100681","6.9599","0.0002","8.4786","0.0003","17.1616","0.0006","82.282","0.002","78.773","0.002","75.599","0.002","958.18","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C46 H40 N4 O8 -","2","1","BK5040","V. Bertolasi; L. Pretto; V. Ferretti; P. Gilli; G. Gilli","Interplay between steric and electronic factors in determining the strength of intramolecular N—H···O resonance-assisted hydrogen bonds in β-enaminones","Acta Crystallographica Section B","2006","62","6","1112","1120","10.1107/S0108768106036421","","","0.7107","MoKα","","0.0751","0.0555","","","0.1091","0.1234","","","","","","1.188","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100682","7.72","0.0002","8.9566","0.0003","9.5777","0.0003","93.83","0.002","92.083","0.002","105.755","0.002","634.92","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C30 H34 N2 O6 -","2","1","BK5040","V. Bertolasi; L. Pretto; V. Ferretti; P. Gilli; G. Gilli","Interplay between steric and electronic factors in determining the strength of intramolecular N—H···O resonance-assisted hydrogen bonds in β-enaminones","Acta Crystallographica Section B","2006","62","6","1112","1120","10.1107/S0108768106036421","","","0.7107","MoKα","","0.0581","0.0515","","","0.138","0.1451","","","","","","1.078","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100683","14.0608","0.0003","6.6407","0.0001","14.4581","0.0003","90","","107.312","0.001","90","","1288.85","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","BK5040","V. Bertolasi; L. Pretto; V. Ferretti; P. Gilli; G. Gilli","Interplay between steric and electronic factors in determining the strength of intramolecular N—H···O resonance-assisted hydrogen bonds in β-enaminones","Acta Crystallographica Section B","2006","62","6","1112","1120","10.1107/S0108768106036421","","","0.7107","MoKα","","0.0652","0.0526","","","0.1122","0.1229","","","","","","1.146","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100684","7.478","0.002","18.007","0.002","11.416","0.002","90","","98.58","0.03","90","","1520","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","strychninium N-4-nitrobenzoyl-L-alaninate dimethanol solvate","","- C33 H40 N4 O9 -","- C33 H40 N4 O9 -","- C66 H80 N8 O18 -","2","1","BS5030","A. Bialonska; Z. Ciunik","Hydrophobic `lock and key' recognition of <i>N</i>-4-nitrobenzoylamino acid by strychnine","Acta Crystallographica Section B","2006","62","6","1061","1070","10.1107/S0108768106025249","","","0.71073","MoKα","","0.0364","0.0335","","","0.0815","0.0833","","","","","","1.044","","","","has coordinates","211413","2020-10-21","18:00:00",""
"2100685","7.868","0.002","10.757","0.002","34.038","0.003","90","","90","","90","","2880.8","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-4-nitrobenzoyl-D-alaninate dihydrate","","- C31 H36 N4 O9 -","- C31 H36 N4 O9 -","- C124 H144 N16 O36 -","4","1","BS5030","A. Bialonska; Z. Ciunik","Hydrophobic `lock and key' recognition of <i>N</i>-4-nitrobenzoylamino acid by strychnine","Acta Crystallographica Section B","2006","62","6","1061","1070","10.1107/S0108768106025249","","","0.71073","MoKα","","0.1004","0.0639","","","0.1013","0.1164","","","","","","1.037","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100686","8.131","0.002","10.648","0.002","33.057","0.003","90","","90","","90","","2862","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-4-nitrobenzoyl-D-serinate dihydrate","","- C31 H36 N4 O10 -","- C31 H36 N4 O10 -","- C124 H144 N16 O40 -","4","1","BS5030","A. Bialonska; Z. Ciunik","Hydrophobic `lock and key' recognition of <i>N</i>-4-nitrobenzoylamino acid by strychnine","Acta Crystallographica Section B","2006","62","6","1061","1070","10.1107/S0108768106025249","","","0.71073","MoKα","","0.1309","0.0942","","","0.2479","0.2808","","","","","","1.06","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100687","7.483","0.002","11.5","0.002","34.436","0.003","90","","90","","90","","2963.4","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-4-nitrobenzoyl-L-serinate methanol solvate hydrate","","- C32 H38 N4 O10 -","- C32 H38 N4 O10 -","- C128 H152 N16 O40 -","4","1","BS5030","A. Bialonska; Z. Ciunik","Hydrophobic `lock and key' recognition of <i>N</i>-4-nitrobenzoylamino acid by strychnine","Acta Crystallographica Section B","2006","62","6","1061","1070","10.1107/S0108768106025249","","","0.71073","MoKα","","0.1033","0.0554","","","0.0733","0.0817","","","","","","0.989","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100688","7.536","0.002","11.092","0.002","19.54","0.002","90","","98.55","0.03","90","","1615.2","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","strychninium hydrogen N-4-nitrobenzoyl-L-aspartate 3.75-hydrate","","- C32 H39.5 N4 O12.75 -","- C32 H38.5 N4 O12.75 -","- C64 H77 N8 O25.5 -","2","1","BS5030","A. Bialonska; Z. Ciunik","Hydrophobic `lock and key' recognition of <i>N</i>-4-nitrobenzoylamino acid by strychnine","Acta Crystallographica Section B","2006","62","6","1061","1070","10.1107/S0108768106025249","","","0.71073","MoKα","","0.0602","0.049","","","0.1186","0.1258","","","","","","1.058","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2100689","8.197","0.002","9.967","0.002","36.351","0.004","90","","90","","90","","2969.9","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium hydrogen N-4-nitrobenzoyl-D-aspartate 2.25-hydrate","","- C32 H36.5 N4 O11.25 -","- C32 H32 N4 O11.25 -","- C128 H128 N16 O45 -","4","1","BS5030","A. Bialonska; Z. Ciunik","Hydrophobic `lock and key' recognition of <i>N</i>-4-nitrobenzoylamino acid by strychnine","Acta Crystallographica Section B","2006","62","6","1061","1070","10.1107/S0108768106025249","","","0.71073","MoKα","","0.1631","0.1145","","","0.2827","0.3269","","","","","","1.085","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2100690","8.5353","","8.5353","","10.4128","","90","","90","","90","","758.586","","110","","110","","","","","","","","","4","X4bm","","","","","","- Ba2 O8 Si2 Ti -","","","4","","CK5019","L. Bindi; M. Dusek; V. Petricek; P. Bonazzi","Superspace-symmetry determination and multidimensional refinement of the incommensurately modulated structure of natural fresnoite","Acta Crystallographica Section B","2006","62","6","1031","1037","10.1107/S0108768106030059","","","0.71069","MoKα","","0.0173","0.0123","","","0.0173","0.0179","","","","","","0.94","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100691","5.4534","0.00005","112.747","0.002","8.19543","0.00011","90","","88.838","0.001","90","","5037.96","0.12","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","MOM beta1","1,3-dimyristoyl-2-oleoylglycerol","","- C49 H92 O6 -","- C49 H92 O6 -","- C196 H368 O24 -","4","1","DR5011","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph","Acta Crystallographica Section B","2006","62","6","1121","1130","10.1107/S0108768106037074","","","0.79936","","","","","","","","","","","7.82","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100692","5.45004","0.00015","121.319","0.009","8.209","0.0003","90","","88.851","0.002","90","","5426.6","0.5","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","POP beta1","1,3-dipalmitoyl-2-oleoylglycerol","","- C53 H100 O6 -","- C53 H100 O6 -","- C212 H400 O24 -","4","1","DR5011","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph","Acta Crystallographica Section B","2006","62","6","1121","1130","10.1107/S0108768106037074","","","0.79889","","","","","","","","","","","6.02","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100693","5.44713","0.00008","125.97","0.006","8.212","0.00018","90","","88.8457","0.0012","90","","5633.7","0.3","295","","275","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","SOS-POP beta1","(1,3-distearoyl-2-oleoylglycerol) (1,3-dipalmitoyl-2-oleoylglycerol)","","- C55 H108 O6 -","- C55 H108 O6 -","- C220 H432 O24 -","4","1","DR5011","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph","Acta Crystallographica Section B","2006","62","6","1121","1130","10.1107/S0108768106037074","","","0.79889","","","","","","","","","","","2.91","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100694","5.44231","0.00012","129.903","0.01","8.1837","0.0003","90","","88.7141","0.0019","90","","5784.2","0.5","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","SOS-beta-1","1,3-distearoyl-2-oleoylglycerol","","- C57 H108 O6 -","- C57 H108 O6 -","- C228 H432 O24 -","4","1","DR5011","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph","Acta Crystallographica Section B","2006","62","6","1121","1130","10.1107/S0108768106037074","","","0.75003","","","","","","","","","","","3.66","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100695","5.44501","0.00006","125.976","0.006","8.19539","0.00015","90","","88.7912","0.001","90","","5620.3","0.3","","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","POS beta1","1-palmitoyl-2-oleoyl-3-stearoylglycerol","","- C55 H104 O6 -","- C55 H104 O6 -","- C220 H416 O24 -","4","1","DR5011","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph","Acta Crystallographica Section B","2006","62","6","1121","1130","10.1107/S0108768106037074","","","0.75003","","","","","","","","","","","2.64","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100696","5.4393","0.00009","134.645","0.009","8.1996","0.0002","90","","88.7349","0.0015","90","","6003.7","0.4","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","SOA beta1","1-stearoyl-2-oleoyl-3-arachidoylglycerol","","- C59 H112 O6 -","- C59 H112 O6 -","- C236 H448 O24 -","4","1","DR5011","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph","Acta Crystallographica Section B","2006","62","6","1121","1130","10.1107/S0108768106037074","","","0.85019","","","","","","","","","","","3.45","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100697","5.44442","0.00007","127.399","0.009","8.1951","0.0002","90","","88.7123","0.0012","90","","5682.8","0.4","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bahia beta6 cocoa butter","","","- C54.96 H108 O6 -","- C54.96 H108 O6 -","- C219.84 H432 O24 -","4","1","DR5011","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph","Acta Crystallographica Section B","2006","62","6","1121","1130","10.1107/S0108768106037074","","","0.79936","","","","","","","","","","","4.22","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100698","5.44779","0.00018","128.71","0.02","8.20093","0.00018","90","","88.614","0.003","90","","5748.7","0.9","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","beta(VI)Ivory Coast cocoa butter","","","- C55 H108 O6 -","- C55 H108 O6 -","- C220 H432 O24 -","4","1","DR5011","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph","Acta Crystallographica Section B","2006","62","6","1121","1130","10.1107/S0108768106037074","","","1.54059","CuKα~1~","","","","","","","","","","5.09","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100699","5.44014","0.0001","130.295","0.007","8.2209","0.0003","90","","88.7547","0.0016","90","","5825.8","0.4","298","","298","","","","","","","","","3","C 1 c 1","C -2yc","9","SOS-beta2","1,3-distearoyl-2-oleoylglycerol","","- C57 H108 O6 -","- C56.9996 H108 O6 -","- C227.998 H432 O24 -","4","1","DR5012","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph","Acta Crystallographica Section B","2006","62","6","1131","1138","10.1107/S0108768106037086","","","1.54059","CuKα~1~","","","","","","","","","","3.86","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100700","5.44219","0.00006","127.638","0.008","8.21365","0.00017","90","","88.6936","0.0009","90","","5704","0.4","280","","285","","","","","","","","","3","C 1 c 1","C -2yc","9","Ivory Coast cocoa butter","","","- C55 H108 O6 -","- C55 H108 O6 -","- C220 H432 O24 -","4","1","DR5012","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph","Acta Crystallographica Section B","2006","62","6","1131","1138","10.1107/S0108768106037086","","","1.24993","synchrotron","","","","","","","","","","3.15","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2100701","5.44708","0.00008","121.622","0.004","8.2196","0.0002","90","","88.7785","0.0014","90","","5444.1","0.2","280","","295","","","","","","","","","3","C 1 c 1","C -2yc","9","POP beta2","1,3-dipalmitoyl-2-oleoylglycerol","","- C53 H100 O6 -","- C53 H100 O6 -","- C212 H400 O24 -","4","1","DR5012","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph","Acta Crystallographica Section B","2006","62","6","1131","1138","10.1107/S0108768106037086","","","1.24993","","","","","","","","","","","4.37","","","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100702","5.4243","0.0002","126.529","0.012","8.1206","0.0005","90","","88.51","0.003","90","","5571.5","0.7","250","","295","","","","","","","","","3","C 1 c 1","C -2yc","9","POS beta2","1-palmitoyl-2-oleoyl-3-stearoylglycerol","","- C55 H104 O6 -","- C55 H104 O6 -","- C220 H416 O24 -","4","1","DR5012","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph","Acta Crystallographica Section B","2006","62","6","1131","1138","10.1107/S0108768106037086","","","0.79948","","","","","","","","","","","5.07","","","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100703","5.4375","0.0003","135.29","0.03","8.213","0.0007","90","","88.644","0.005","90","","6040.1","1.5","298","","295","","","","","","","","","3","C 1 c 1","C -2yc","9","SOA beta2","1-stearoyl-2-oleoyl-3-arachidoylglycerol","","- C59 H112 O6 -","- C58.9996 H112 O6 -","- C235.998 H448 O24 -","4","1","DR5012","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph","Acta Crystallographica Section B","2006","62","6","1131","1138","10.1107/S0108768106037086","","","1.54059","CuKα~1~","","","","","","","","","","2.7","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100704","6.6695","","6.6695","","6.6695","","113.838","","113.838","","113.838","","182.39","","","","293","","","","","","","","","2","R -3 :R","-P 3*","148","Ni4Ti3","Ni4Ti3","","- Ni4 Ti3 -","- Ni8 Ti6 -","- Ni8 Ti6 -","","","LC5049","Tirry, Wim; Schryvers, Dominique; Jorissen, Kevin; Lamoen, Dirk","Electron-diffraction structure refinement of Ni~4~Ti~3~ precipitates in Ni~52~Ti~48~","Acta Crystallographica Section B","2006","62","6","966","971","10.1107/S0108768106036457","","","0.0196875","monochromatic","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100705","6.8156","0.00007","8.85137","0.00009","8.88007","0.0001","79.8337","0.0008","90.0987","0.0009","90.3634","0.0009","527.29","0.01","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- D9 Ni2 Zr4 -","- D9 Ni2 Zr4 -","- D36 Ni8 Zr16 -","4","2","LM5003","Sørby, Magnus H.; Fjellvåg, Helmer; Hauback, Bjørn C.; Gunnaes, Anette E.; Løvvik, Ole Martin","The crystal structure of Zr~2~NiD~4.5~","Acta Crystallographica Section B","2006","62","6","972","978","10.1107/S010876810603028X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100706","10.3474","","7.0763","","16.8321","","90","","90","","90","","1232.47","","","","298","","","","","","","","","4","Xmcm(0\b0)s0s","","","hexamethylenetetramine resorcinol","","","- C12 H18 N4 O2 -","","","4","","SN5041","Rodriguez, Soraya MAria Belluga; Palatinus, Lukas; Chapuis, Gervais","Growth-induced incommensurability observed in the organic co-crystal hexamethylenetetramine resorcinol","Acta Crystallographica Section B","2006","62","6","1043","1050","10.1107/S0108768106030382","","","0.71069","MoKα","","0.0932","0.0435","","","0.0605","0.0716","","","","","","1.66","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100707","10.346","0.004","5.0294","0.0017","13.478","0.005","90","","112.21","0.02","90","","649.3","0.4","273","","273","","","","5930000","","","","","4","P 1 21/n 1","-P 2yn","14","salicylaldoxime","2-hydroxybenzaldehyde oxime","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","SO5004","P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren","Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa","Acta Crystallographica Section B","2006","62","6","1099","1111","10.1107/S0108768106031752","","","0.71073","MoKα","","0.1042","0.0564","","0.1745","0.1419","0.1745","","","","","","0.9148","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100708","10.1833","0.0016","4.9766","0.0003","13.0109","0.0015","90","","111.938","0.01","90","","611.62","0.13","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","salicylaldoxime","2-hydroxybenzaldehyde oxime","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","SO5004","P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren","Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa","Acta Crystallographica Section B","2006","62","6","1099","1111","10.1107/S0108768106031752","","","0.6889","synchrotron","","0.0705","0.0485","","0.1359","0.1095","0.1359","","","","","","0.7929","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100709","9.851","0.003","4.9325","0.0007","12.286","0.003","90","","111.09","0.02","90","","557","0.2","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","salicylaldoxime","2-hydroxybenzaldehyde oxime","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","SO5004","P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren","Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa","Acta Crystallographica Section B","2006","62","6","1099","1111","10.1107/S0108768106031752","","","0.6889","synchrotron","","0.0597","0.0399","","0.1009","0.0823","0.1009","","","","","","0.8872","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100710","9.7148","0.0016","4.9322","0.0003","12.0145","0.0016","90","","110.607","0.011","90","","538.84","0.12","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","salicylaldoxime","2-hydroxybenzaldehyde oxime","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","SO5004","P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren","Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa","Acta Crystallographica Section B","2006","62","6","1099","1111","10.1107/S0108768106031752","","","0.6889","synchrotron","","0.0524","0.042","","0.107","0.0932","0.107","","","","","","0.8746","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100711","9.5728","0.0015","4.9342","0.0003","11.7537","0.0015","90","","110.064","0.01","90","","521.48","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","salicylaldoxime","2-hydroxybenzaldehyde oxime","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","SO5004","P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren","Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa","Acta Crystallographica Section B","2006","62","6","1099","1111","10.1107/S0108768106031752","","","0.6889","synchrotron","","0.0634","0.0442","","0.1117","0.091","0.1117","","","","","","0.9074","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100712","9.513","0.002","4.9319","0.0004","11.63","0.002","90","","109.859","0.014","90","","513.2","0.15","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","salicylaldoxime","2-hydroxybenzaldehyde oxime","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","SO5004","P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren","Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa","Acta Crystallographica Section B","2006","62","6","1099","1111","10.1107/S0108768106031752","","","0.6889","synchrotron","","0.0529","0.0406","","0.0937","0.0816","0.0937","","","","","","0.9435","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100713","7.677","0.003","5.7731","0.0008","12.159","0.003","90","","110.62","0.02","90","","504.4","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","salicylaldoxime","2-hydroxybenzaldehyde oxime","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","SO5004","P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren","Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa","Acta Crystallographica Section B","2006","62","6","1099","1111","10.1107/S0108768106031752","","","0.6889","synchrotron","","0.1534","0.1253","","0.2752","0.2513","0.2752","","","","","","0.8169","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100714","3.7615","0.0006","5.6996","0.0012","5.9065","0.0008","110.8","0.015","91.164","0.012","91.443","0.015","118.28","0.04","90","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C6 H5 O2 -","- C6 H5 O2 -","- C6 H5 O2 -","1","0.5","WS5041","Krešimir Molčanov; Mario Roboz; Biserka Kojić-Prodić","Structural characterization of <i>p</i>-benzosemiquinone radical in a solid state: the radical stabilization by a low-barrier hydrogen bond","Acta Crystallographica Section B","2006","62","6","1051","1060","10.1107/S0108768106038870","","","1.54179","CuKα","","","0.0361","","","","0.1055","","","","","","1.091","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100715","3.8362","0.0002","5.998","0.0003","11.5007","0.0006","90","","108.79","0.001","90","","250.52","0.02","293","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 O2 -","- C6 H5 O2 -","- C12 H10 O4 -","2","0.5","WS5041","Krešimir Molčanov; Mario Roboz; Biserka Kojić-Prodić","Structural characterization of <i>p</i>-benzosemiquinone radical in a solid state: the radical stabilization by a low-barrier hydrogen bond","Acta Crystallographica Section B","2006","62","6","1051","1060","10.1107/S0108768106038870","","","1.54179","CuKα","","","0.0387","","","","0.106","","","","","","1.039","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100716","3.77","0.003","5.98","0.003","11.458","0.014","90","","109.99","0.08","90","","242.8","0.4","90","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 O2 -","- C6 H5 O2 -","- C12 H10 O4 -","2","0.5","WS5041","Krešimir Molčanov; Mario Roboz; Biserka Kojić-Prodić","Structural characterization of <i>p</i>-benzosemiquinone radical in a solid state: the radical stabilization by a low-barrier hydrogen bond","Acta Crystallographica Section B","2006","62","6","1051","1060","10.1107/S0108768106038870","","","1.54184","CuKα","","","0.0466","","","","0.131","","","","","","1.087","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100717","3.8291","0.0002","5.7546","0.0003","5.9771","0.0002","111.121","0.003","89.936","0.004","92.453","0.004","122.73","0.01","293","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C6 H5 O2 -","- C6 H5 O2 -","- C6 H5 O2 -","1","0.5","WS5041","Krešimir Molčanov; Mario Roboz; Biserka Kojić-Prodić","Structural characterization of <i>p</i>-benzosemiquinone radical in a solid state: the radical stabilization by a low-barrier hydrogen bond","Acta Crystallographica Section B","2006","62","6","1051","1060","10.1107/S0108768106038870","","","1.54179","CuKα","","","0.0431","","","","0.1239","","","","","","1.036","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100718","10.8125","0.0001","10.7232","0.0001","10.6883","0.0001","90","","95.746","0.001","90","","1233.02","0.02","100","","5","","","","","","","","","1","P 1 21 1","P 2yb","4","cyclo-octasulfur","sulfur","","- S8 -","- S8 -","- S48 -","6","3","WS5045","W. I. F. David; R. M. Ibberson; S. F. J. Cox; P. T. Wood","Order-disorder transition in monoclinic sulfur: a precise structural study by high-resolution neutron powder diffraction","Acta Crystallographica, Section B","2006","62","6","953","959","10.1107/S0108768106039309","","neutron","","time-of-flightneutron","","","","","","","","","","3.19","","","","","","","has coordinates,has disorder","293657","2024-08-03","08:33:58",""
"2100719","12.484","0.0004","12.484","0.0004","3.9742","0.0003","90","","90","","90","","619.38","0.05","298","2","298","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba0.67 Nb2 O6 Sr0.33 -","- Ba0.66832 Nb2 O6 Sr0.33192 -","- Ba3.3416 Nb10 O30 Sr1.6596 -","5","0.625","WS5047","Podlozhenov, Sergey; Graetsch, Heribert A.; Schneider, Julius; Ulex, Michael; Woehlecke, Manfred; Betzler, Klaus","Structure of strontium barium niobate Sr~<i>x~</i>Ba~1{-~<i>x</i>}Nb~2~O~6~ (SBN) in the composition range 0.32 {łeq} <i>x</i> {łeq} 0.82","Acta Crystallographica Section B","2006","62","6","960","965","10.1107/S0108768106038869","","","0.71073","MoKα","","0.033","0.027","","","0.0629","0.0646","","","","","","1.122","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100720","12.4844","0.0005","12.4844","0.0005","3.9572","0.0003","90","","90","","90","","616.77","0.06","298","2","298","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba0.52 Nb2 O6 Sr0.48 -","- Ba0.52 Nb2 O6 Sr0.48016 -","- Ba2.6 Nb10 O30 Sr2.4008 -","5","0.625","WS5047","Podlozhenov, Sergey; Graetsch, Heribert A.; Schneider, Julius; Ulex, Michael; Woehlecke, Manfred; Betzler, Klaus","Structure of strontium barium niobate Sr~<i>x~</i>Ba~1{-~<i>x</i>}Nb~2~O~6~ (SBN) in the composition range 0.32 {łeq} <i>x</i> {łeq} 0.82","Acta Crystallographica Section B","2006","62","6","960","965","10.1107/S0108768106038869","","","0.71073","MoKα","","0.0541","0.0299","","","0.0506","0.0545","","","","","","1.004","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100721","12.4575","0.0007","12.4575","0.0007","3.9382","0.0003","90","","90","","90","","611.17","0.07","298","2","298","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba0.39 Nb2 O6 Sr0.61 -","- Ba0.39016 Nb2 O6 Sr0.61016 -","- Ba1.9508 Nb10 O30 Sr3.0508 -","5","0.625","WS5047","Podlozhenov, Sergey; Graetsch, Heribert A.; Schneider, Julius; Ulex, Michael; Woehlecke, Manfred; Betzler, Klaus","Structure of strontium barium niobate Sr~<i>x~</i>Ba~1{-~<i>x</i>}Nb~2~O~6~ (SBN) in the composition range 0.32 {łeq} <i>x</i> {łeq} 0.82","Acta Crystallographica Section B","2006","62","6","960","965","10.1107/S0108768106038869","","","0.71073","MoKα","","0.0492","0.033","","","0.072","0.0758","","","","","","1.14","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100722","12.4179","0.0009","12.4179","0.0009","3.9074","0.0005","90","","90","","90","","602.54","0.1","298","2","298","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba0.14 Nb2 O6 Sr0.86 -","- Ba0.14256 Nb2 O6 Sr0.85748 -","- Ba0.7128 Nb10 O30 Sr4.2874 -","5","0.625","WS5047","Podlozhenov, Sergey; Graetsch, Heribert A.; Schneider, Julius; Ulex, Michael; Woehlecke, Manfred; Betzler, Klaus","Structure of strontium barium niobate Sr~<i>x~</i>Ba~1{-~<i>x</i>}Nb~2~O~6~ (SBN) in the composition range 0.32 {łeq} <i>x</i> {łeq} 0.82","Acta Crystallographica Section B","2006","62","6","960","965","10.1107/S0108768106038869","","","0.71073","MoKα","","0.0848","0.0451","","","0.0834","0.0913","","","","","","0.957","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100723","13.18949","0.00015","7.62045","0.00005","11.71698","0.00009","90","","112.278","0.0007","90","","1089.76","0.017","299","","299","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","bariummetagermanate","","","- Ba Ge O3 -","- Ba Ge O3 -","- Ba12 Ge12 O36 -","12","1.5","WS5051","Toebbens, Daniel M.; Kahlenberg, Volker; Gspan, Christian; Kothleitner, Gerhard","Atomic and domain structure of the low-temperature phase of barium metagermanate (BaGeO~3~)","Acta Crystallographica Section B","2006","62","6","1002","1009","10.1107/S0108768106039140","","","1.54056","","","","","","","","","","","1.83","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106568","4.66325","","4.66325","","12.23875","","90","","90","","90","","266.143","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Ce1.80 Rh0.98 In8","","- Ce1.8 In8 Rh0.98 -","- Ce1.798 In8 Rh0.982 -","- Ce1.798 In8 Rh0.982 -","1","0.0625","","Moshopoulou, E.G.; Ibberson, R.M.; Sarrao, J.L.; Fisk, Z.; Thompson, J.D.","Structure of Ce2 Rh In8: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials","Acta Crystallographica B (39,1983-)","2006","62","","173","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","151380","2020-10-21","18:00:00",""
"2106577","6.56","","23.057","","6.978","","90","","90.08","","90","","1055.45","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K2.6 Li5.4 (Li4 Si16 O38) (H2 O)4.3","","- K2.23 Li10.28 O41.784 Si16 -","- K2.23 Li10.28 O41.784 Si16 -","- K2.23 Li10.28 O41.784 Si16 -","1","0.25","","Park, S.-H.; Boysen, H.; Parise, J.B.","Structural disorder of a new zeolite-like lithosilicate, K2.6 Li5.4 [Li4 Si16 O38] . 4.3H2 O","Acta Crystallographica B (39,1983-)","2006","62","","42","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","151454","2020-10-21","18:00:00",""
"2106614","5.1313","","5.1857","","5.3248","","90","","99.34","","90","","139.811","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Zr0.994 Hf0.006 O2","","- Hf0.006 O2 Zr0.994 -","- Hf0.006 O2 Zr0.994 -","- Hf0.024 O8 Zr3.976 -","4","1","","Yashima, M.; Tsunekawa, S.","Structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles","Acta Crystallographica B (39,1983-)","2006","62","","161","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","151956","2020-10-21","18:00:00",""
"2207713","24.104","0.002","12.8925","0.0012","17.5363","0.0015","90","","130.629","0.005","90","","4135.9","0.7","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Tetra-n-butylammonium tetrakis(pentafluorophenyl)borate","","- C40 H36 B F20 N -","- C40 H36 B F20 N -","- C160 H144 B4 F80 N4 -","4","1","AT6058","Schödel, Frauke; Lerner, Hans-Wolfram; Bru Roig, Miriam; Bolte, Michael","Tetra-<i>n</i>-butylammonium tetrakis(pentafluorophenyl)borate","Acta Crystallographica Section E","2006","62","1","o372","o373","10.1107/S1600536805040134","","","0.71073","MoKα","","0.0403","0.0326","","","0.0727","0.0753","","","","","","0.999","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207714","18.668","0.0005","5.828","0.0002","6.3943","0.0002","90","","92.2219","0.0014","90","","695.16","0.04","120","","120","","","","","","","","","3","C 1 2 1","C 2y","5","","2-C-Methyl-D-lyxono-1,4-lactone","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","AT6059","Punzo, Francesco; Watkin, David J.; Hotchkiss, David; Fleet, George W. J.","2-<i>C</i>-Methyl-<small>D</small>-lyxono-1,4-lactone","Acta Crystallographica Section E","2006","62","1","o98","o100","10.1107/S1600536805040456","","","0.71073","MoKα","","0.0242","0.0239","","0.0614","0.0614","0.0614","","","","","","1.0372","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207715","12.36","0.002","7.1688","0.0014","33.275","0.006","90","","90","","90","","2948.4","0.9","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2',4'-Dihydroxy-5',6'-dimethoxychalcone","","- C17 H16 O5 -","- C17 H16 O5 -","- C136 H128 O40 -","8","1","AT6060","Usman, Hanapi; Jalaluddin, Muhammad N.; Hakim, Euis H.; Yana, S.; Yamin, Bohari M.","2',4'-Dihydroxy-5',6'-dimethoxychalcone","Acta Crystallographica Section E","2006","62","1","o209","o211","10.1107/S160053680504047X","","","0.71073","MoKα","","0.072","0.053","","","0.121","0.13","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207716","9.1437","0.0002","7.3438","0.0002","24.7447","0.0006","90","","92.112","0.001","90","","1660.47","0.07","173","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Thiamine dichloride monohydrate","","- C12 H20 Cl2 N4 O2 S -","- C12 H20 Cl2 N4 O2 S -","- C48 H80 Cl8 N16 O8 S4 -","4","1","AT6061","T. Balasubramanian.; S. R. Jebas; S. Thamotharan; G. Rheinwald; Lang, A. G.","Thiamine dichloride monohydrate: vitamin B1 (form III)","Acta Crystallographica Section E","2006","62","1","o290","o292","10.1107/S1600536805041619","","","0.71073","MoKα","","","0.0333","","","","0.0811","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207717","5.5926","0.0012","8.8449","0.0019","16.442","0.004","90","","97.536","0.003","90","","806.3","0.3","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(2-Furylmethylene)-2-(4-morpholino)-1-phenyl-1H-imidazol-4(5H)-one","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C36 H34 N6 O6 -","2","1","AT6062","Mao Xin; Yang-Gen Hu","4-(2-Furylmethylene)-2-(4-morpholino)-1-phenyl-1<i>H</i>-imidazol-4(5<i>H</i>)-one","Acta Crystallographica Section E","2006","62","1","o123","o124","10.1107/S1600536805040481","","","0.71073","MoKα","","0.0518","0.0444","","","0.0955","0.0992","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207718","7.4296","0.0002","14.3048","0.0004","15.1315","0.0004","79.73","0.01","77.21","0.01","76.39","0.01","1510.65","0.11","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2,2',5,5'-Tetrakis(trifluoromethyl)biphenyl","","- C16 H6 F12 -","- C16 H6 F12 -","- C64 H24 F48 -","4","2","AT6063","Dillon, Keith B.; Zorina, Natalia V.; Yufit, Dmitry S.; Howard, Judith A. K.","2,2',5,5'-Tetrakis(trifluoromethyl)biphenyl","Acta Crystallographica Section E","2006","62","1","o104","o106","10.1107/S1600536805040468","","","0.71073","MoKα","","0.0656","0.053","","","0.1488","0.1613","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207719","8.3808","0.0017","15.236","0.004","12.472","0.003","90","","112.173","0.015","90","","1474.8","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Chloro-1-(3 mesitylcyclobutyl)ethanone","","- C16 H21 Cl O -","- C16 H21 Cl O -","- C64 H84 Cl4 O4 -","4","1","AT6065","Demir, Sibel; Dinçer, Muharrem; Çukurovalı, Alaaddin; İbrahim Yılmaz","2-Chloro-1-(3-mesityl-3-methylcyclobutyl)ethanone","Acta Crystallographica Section E","2006","62","1","o298","o299","10.1107/S1600536805041565","","","0.71073","MoKα","","0.1056","0.0703","","","0.1715","0.195","","","","","","0.962","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207720","12.678","0.003","8.736","0.0017","13.185","0.003","90","","107.09","0.03","90","","1395.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Acetyl-2a,8b-dichloro-1-methoxy-1,2,2a,8b-tetrahydro-3H- cyclobuta[c]chromen-3-one","","- C14 H12 Cl2 O4 -","- C14 H12 Cl2 O4 -","- C56 H48 Cl8 O16 -","4","1","AT6066","Zhi-Feng Lu; Hui-Ying An; Wen-Jie Wang; Shan Lu; Jian-Hua Xu","1-Acetyl-2a,8b-dichloro-1-methoxy-1,2,2a,8b-tetrahydro-3<i>H</i>-cyclobuta[<i>c</i>]chromen-3-one","Acta Crystallographica Section E","2006","62","1","o177","o178","10.1107/S1600536805040948","","","0.71073","MoKα","","0.0833","0.0462","","","0.1143","0.1398","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207721","11.402","0.007","6.231","0.003","13.942","0.005","90","","107.324","0.018","90","","945.6","0.8","296","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Azaspiro[5.5]undecane-2,4-dione","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C40 H60 N4 O8 -","4","1","AT6067","Xiu-Rong Hu; Wei-Ming Xu; Jian-Ming Gu","3-Azaspiro[5.5]undecane-2,4-dione","Acta Crystallographica Section E","2006","62","1","o264","o265","10.1107/S1600536805041590","","","0.71075","MoKα","","","0.0385","","","","0.0871","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207722","10.469","0.003","16.405","0.005","9.866","0.003","90","","112.761","0.004","90","","1562.5","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-Dibromo-9-(3-pyridylmethyl)-9H-carbazole","","- C18 H12 Br2 N2 -","- C18 H12 Br2 N2 -","- C72 H48 Br8 N8 -","4","1","BD6019","Duan, Xue-Min; Huang, Peng-Mian; Liu, Zi-Li; Li, Jiang-Sheng; Wang, Lei","3,6-Dibromo-9-(3-pyridylmethyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","1","o114","o115","10.1107/S1600536805040535","","","0.71073","MoKα","","0.0621","0.0341","","","0.0692","0.0782","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207723","9.196","0.003","10.928","0.003","14.244","0.004","90","","90","","90","","1431.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-Methyl 2-(4,5-dibromo-1H-pyrrole-2-carboxamido)-3-methylbutanoate","","- C11 H14 Br2 N2 O3 -","- C11 H14 Br2 N2 O3 -","- C44 H56 Br8 N8 O12 -","4","1","BD6020","Xiang-Chao Zeng","(<i>S</i>)-Methyl 2-(4,5-dibromo-1<i>H</i>-pyrrole-2-carboxamido)-3-methylbutanoate","Acta Crystallographica Section E","2006","62","1","o288","o289","10.1107/S1600536805040547","","","0.71073","MoKα","","0.0486","0.0326","","","0.0689","0.0747","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207724","12.11","0.014","9.958","0.011","8.758","0.01","90","","102.69","0.02","90","","1030","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Benzoyl-4-methylthiosemicarbazide","","- C9 H11 N3 O S -","- C9 H11 N3 O S -","- C36 H44 N12 O4 S4 -","4","1","BH6048","Othman, Eliyanti A.; Supian, Naemah; Yamin, Bohari M.","1-Benzoyl-4-methylthiosemicarbazide","Acta Crystallographica Section E","2006","62","1","o18","o20","10.1107/S1600536805039528","","","0.71073","MoKα","","0.073","0.064","","","0.15","0.155","","","","","","1.23","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207725","3.7249","0.0014","11.281","0.004","6.298","0.002","90","","91.936","0.007","90","","264.49","0.16","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","pyrazinic acid","pyrazine-2-carboxylic acid","","- C5 H4 N2 O2 -","- C5 H4 N2 O2 -","- C10 H8 N4 O4 -","2","1","BH6050","Shi, Xue-Fang; Wu, Li; Xing, Zhi-Yong","A monoclinic polymorph of pyrazinic acid","Acta Crystallographica Section E","2006","62","1","o15","o17","10.1107/S160053680503953X","","","0.71073","MoKα","","0.0609","0.0372","","","0.069","0.0791","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207726","10.8892","0.0015","11.7837","0.0016","20.768","0.003","90","","101.456","0.002","90","","2611.8","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricyclohexyl(4-nitrophenoxyacetato)tin(IV)","","- C26 H39 N O5 Sn -","- C26 H39 N O5 Sn -","- C104 H156 N4 O20 Sn4 -","4","1","BH6052","Tian, Lai-Jin; Yu, Hai-Xia; Sun, Yu-Xi; Yu, Feng-Yang","Tricyclohexyl(4-nitrophenoxyacetato)tin(IV)","Acta Crystallographica Section E","2006","62","1","m7","m9","10.1107/S1600536805039541","","","0.71073","MoKα","","0.0432","0.032","","","0.0713","0.0764","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207727","6.9806","0.0012","25.764","0.004","14.2","0.002","90","","96.318","0.003","90","","2538.3","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(2,4-Dinitrophenyl)-2-{2-[2-(3-nitrophenoxy)ethoxy]benzylidene}hydrazine dimethylformamide solvate","","- C24 H24 N6 O9 -","- C24 H24 N6 O9 -","- C96 H96 N24 O36 -","4","1","BH6053","Diao, Chun-Hua; Fan, Zhi; Yu, Ming; Chen, Xin; Jing, Zuo-Liang","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-{2-[2-(3-nitrophenoxy)ethoxy]benzylidene}hydrazine dimethylformamide solvate","Acta Crystallographica Section E","2006","62","1","o39","o41","10.1107/S1600536805039905","","","0.71073","MoKα","","0.1269","0.0523","","","0.1086","0.136","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207728","5.474","0.002","24.185","0.003","9.283","0.002","90","","98.78","0.03","90","","1214.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Benzoylmethyl-2-chloro-N-methylmaleimide","","- C13 H10 Cl N O3 -","- C13 H10 Cl N O3 -","- C52 H40 Cl4 N4 O12 -","4","1","BH6055","An, Hui-Ying; Lu, Zhi-Feng; Shen, Yong-Miao; Xu, Jian-Hua","3-Benzoylmethyl-2-chloro-<i>N</i>-methylmaleimide","Acta Crystallographica Section E","2006","62","1","o70","o71","10.1107/S1600536805039838","","","0.71073","MoKα","","0.0968","0.0488","","","0.1351","0.1503","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207729","7.499","0.005","7.835","0.003","10.624","0.007","90","","107.37","0.08","90","","595.7","0.7","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-Phenyl 4-cyanothiobenzoate","","- C14 H9 N O S -","- C14 H9 N O S -","- C28 H18 N2 O2 S2 -","2","1","BT6793","Bojidarka B. Ivanova; Michail G. Arnaudov; William S. Sheldrick; Heike Mayer-Figge","<i>S</i>-Phenyl 4-cyanothiobenzoate","Acta Crystallographica Section E","2006","62","1","o3","o4","10.1107/S1600536805039267","","","0.71073","MoKα","","0.0419","0.0329","","","0.0733","0.0774","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207730","29.4222","0.001","5.4655","0.0001","21.7842","0.0007","90","","95.457","0.0013","90","","3487.18","0.18","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tert-Butyl (2-phenyl-1,2-dihydro-1-naphthyl)carbamate","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C168 H184 N8 O16 -","8","1","BT6794","Dockendorff, Chris; Lautens, Mark; Lough, Alan J.","<i>tert</i>-Butyl (2-phenyl-1,2-dihydro-1-naphthyl)carbamate","Acta Crystallographica Section E","2006","62","1","o107","o108","10.1107/S1600536805039747","","","0.71073","MoKα","","0.0662","0.0448","","","0.1124","0.1257","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207731","7.908","0.0016","18.014","0.004","19.391","0.004","90","","95.7","0.03","90","","2748.7","1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquatetrakis(pyrazine-2-carboxylato-κ^2^O,N)thorium(IV) trihydrate","","- C20 H22 N8 O13 Th -","- C20 H22 N8 O13 Th -","- C80 H88 N32 O52 Th4 -","4","1","BV6020","Premkumar, Thattan; Govindarajan, Subbiah; Starosta, Wojciech; Leciejewicz, Janusz","Diaquatetrakis(pyrazine-2-carboxylato-κ^2^<i>O</i>,<i>N</i>)thorium(IV) trihydrate","Acta Crystallographica Section E","2006","62","1","m98","m100","10.1107/S1600536805039346","","","0.71073","MoKα","","0.0605","0.0417","","","0.1154","0.1237","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207732","13.6","0.003","8.3478","0.0017","17.032","0.003","90","","113.1","0.03","90","","1778.6","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Bis(2,6-dimethylpyridinium) dichromate","","- C14 H20 Cr2 N2 O7 -","- C14 H20 Cr2 N2 O7 -","- C56 H80 Cr8 N8 O28 -","4","1","CF6477","Zhi-Min Jin; Xin-Ju Ma; Yong Zhang; Bing Tu; Mao-Lin Hu","Bis(2,6-dimethylpyridinium) dichromate","Acta Crystallographica Section E","2006","62","1","m106","m108","10.1107/S1600536805041309","","","0.71073","MoKα","","0.0473","0.0416","","","0.0979","0.1003","","","","","","1.104","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207733","10.7137","0.0004","11.5618","0.0004","11.7896","0.0005","78.7678","0.0019","73.2924","0.0018","75.651","0.002","1343.03","0.09","200","","200","","","","","","","","","6","P -1","-P 1","2","","(OC-6-32)-Bis[5-bromo-2-(4-bromophenyldiazenyl)phenyl]dicarbonylruthenium(II)","","- C26 H14 Br4 N4 O2 Ru -","- C26 H14 Br4 N4 O2 Ru -","- C52 H28 Br8 N8 O4 Ru2 -","2","1","CF6478","Anthony C. Willis; Waleed K. Mahdi; Mark G. Humphrey","(<i>OC</i>-6-32)-Bis[5-bromo-2-(4-bromophenyldiazenyl)phenyl]dicarbonylruthenium(II)","Acta Crystallographica Section E","2006","62","1","m116","m117","10.1107/S1600536805041322","","","0.71073","MoKα","","0.0471","0.0311","","0.0352","0.0311","0.0311","","","","","","1.1611","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207734","13.5277","0.0002","12.4006","0.0003","15.6585","0.0002","90","","93.176","0.001","90","","2622.7","0.08","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(OC-6-32)-Bis[5-bromo-2-(4-bromophenyldiazenyl)phenyl]dicarbonylruthenium(II)","","- C26 H14 Br4 N4 O2 Ru -","- C26 H14 Br4 N4 O2 Ru -","- C104 H56 Br16 N16 O8 Ru4 -","4","1","CF6479","Anthony C. Willis; Waleed K. Mahdi; Mark G. Humphrey","(<i>OC</i>-6-13)-Bis[5-bromo-2-(4-bromophenyldiazenyl)phenyl]dicarbonylruthenium(II) with mutually <i>trans</i> <i>N</i>-donor atoms","Acta Crystallographica Section E","2006","62","1","m118","m119","10.1107/S1600536805041358","","","0.71073","MoKα","","0.039","0.0245","","0.0348","0.0284","0.0284","","","","","","1.0872","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207735","14.356","0.0006","10.0621","0.0004","18.3872","0.0008","90","","91.427","0.001","90","","2655.24","0.19","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-{3-(4-Chlorophenyl)-6-[(Z)-(4-chlorophenyl)methylidene]-2-phenyl- 2-azabicyclo[2.2.2]oct-5-ylidene}aniline","","- C32 H26 Cl2 N2 -","- C32 H26 Cl2 N2 -","- C128 H104 Cl8 N8 -","4","1","CF6480","K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy","<i>N</i>-{3-(4-Chlorophenyl)-6-[(<i>Z</i>)-(4-chlorophenyl)methylidene]-2-phenyl-2-azabicyclo[2.2.2]oct-5-ylidene}aniline","Acta Crystallographica Section E","2006","62","1","o318","o320","10.1107/S1600536805042066","","","0.71073","MoKα","","0.0757","0.0552","","","0.146","0.1626","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207736","5.4778","0.0007","11.0701","0.0013","18.2529","0.0015","90","","90","","90","","1106.9","0.2","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Isopropyl 2,5-anhydro-6-azido-3,6-dideoxy-D-xylo-hexonate","","- C9 H15 N3 O4 -","- C9 H15 N3 O4 -","- C36 H60 N12 O16 -","4","1","CF6481","Watkin, David J.; Watterson, Mark; Tranter, George E.; Edwards, Alison A.; Fleet, George W. J.","Isopropyl 2,5-anhydro-6-azido-3,6-dideoxy-<small>D</small>-<i>xylo</i>-hexonate","Acta Crystallographica Section E","2006","62","1","o363","o365","10.1107/S1600536805042133","","","1.5418","CuKα","","0.0397","0.0396","","0.1042","0.1042","0.1042","","","","","","0.9438","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207737","9.6158","0.001","10.3812","0.0011","11.7099","0.0012","105.047","0.002","94.85","0.002","100.087","0.002","1101","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4'-(4-Methylbenzoyl)-1'-methyldispiro[indole-3(2H),2'-pyrrolidine- 3',3''(2''H)-indole]-2,2''-dione","","- C27 H23 N3 O3 -","- C27 H23 N3 O3 -","- C54 H46 N6 O6 -","2","1","CI6685","K. Palani; M. N. Ponnuswamy; A. R. Suresh Babu; R. Raghunathan; K. Ravikumar","4'-(4-Methylbenzoyl)-1'-methyldispiro[indole-3(2<i>H</i>),2'-pyrrolidine-3',3''(2''<i>H</i>)-indole]-2,2''-dione","Acta Crystallographica Section E","2006","62","1","o52","o54","10.1107/S1600536805039565","","","0.71073","MoKα","","0.0667","0.0507","","","0.1239","0.1351","","","","","","1.008","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207738","10.8782","0.0005","5.8899","0.0003","53.307","0.003","90","","90","","90","","3415.5","0.3","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-(3-Methyl-3-phenylcyclobutyl)-2-(piperidin-1-yl)ethanone oxime","","- C18 H26 N2 O -","- C18 H26 N2 O -","- C144 H208 N16 O8 -","8","2","CI6691","Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim; Büyükgüngör, Orhan","1-(3-Methyl-3-phenylcyclobutyl)-2-(piperidin-1-yl)ethanone oxime","Acta Crystallographica Section E","2006","62","1","o336","o338","10.1107/S160053680504208X","","","0.71073","MoKα","","0.0524","0.0461","","","0.1178","0.1222","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207739","35.492","0.003","7.482","0.001","15.011","0.001","90","","109.132","0.001","90","","3766","0.6","298","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloro{2-[3-(cyclohexylammonio)propyliminomethyl]-6-methylphenolato}zinc(II)","","- C17 H26 Cl2 N2 O Zn -","- C17 H26 Cl2 N2 O Zn -","- C136 H208 Cl16 N16 O8 Zn8 -","8","1","CI6699","You, Zhong-Lu","Dichloro{2-[3-(cyclohexylammonio)propyliminomethyl]-6-methylphenolato}zinc(II)","Acta Crystallographica Section E","2006","62","1","m10","m11","10.1107/S1600536805039474","","","0.71073","MoKα","","0.054","0.0397","","","0.106","0.1154","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207740","9.87","0.001","12.181","0.001","12.732","0.001","95.29","0.01","108.68","0.01","91.8","0.01","1440.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(3,5-Dinitrobenzoato-κ^2^O,O')bis[(2-pyridyl)methanol-κ^2^N,O]copper(II) 3,5-dinitrobenzoate","","- C26 H20 Cu N6 O14 -","- C26 H20 Cu N6 O14 -","- C52 H40 Cu2 N12 O28 -","2","1","CI6702","Maroszová, Jaroslava; Stachová, Petra; Vasková, Zuzana; Valigura, Dušan; Koman, Marian","(3,5-Dinitrobenzoato-κ<i>O</i>)bis[(2-pyridyl)methanol-κ^2^<i>N</i>,<i>O</i>]copper(II) 3,5-dinitrobenzoate","Acta Crystallographica Section E","2006","62","1","m109","m110","10.1107/S1600536805041310","","","0.71073","MoKα","","0.0575","0.0424","","","0.1024","0.1106","","","","","","1.039","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207741","10.6411","0.0007","19.6795","0.0012","8.2268","0.0005","90","","109.795","0.001","90","","1620.99","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Benzyl-N-[4-(methylsulfanyl)-3-nitro-4H-chromen-2-yl]amine","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","CI6704","Sundari Bhaskaran; D. Velmurugan; K. Ravikumar; K. Geetha; H. Surya Prakash Rao","<i>N</i>-Benzyl-<i>N</i>-[4-(methylsulfanyl)-3-nitro-4<i>H</i>-chromen-2-yl]amine","Acta Crystallographica Section E","2006","62","1","o188","o190","10.1107/S160053680504081X","","","0.71073","MoKα","","0.0538","0.045","","","0.1293","0.138","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207742","13.314","0.002","5.151","0.001","23.585","0.003","90","","100.39","0.01","90","","1590.9","0.4","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","6,6a,11,14-Tetrahydro-8-hydroxy-9-methoxy-12H-benzo[a]- 1,3-benzodioxolo[4,5-g]quinolizine","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","CI6705","Wang, Xiao-Ling; Li, Zong-Xiao; Qin, Guo-Wei","Cheilanthifoline","Acta Crystallographica Section E","2006","62","1","o81","o82","10.1107/S1600536805039711","","","0.71073","MoKα","","0.0463","0.0358","","","0.0852","0.089","","","","","","0.992","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207743","8.1881","0.0019","12.713","0.003","14.239","0.003","90","","90","","90","","1482.2","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-(4'-methyl)-phenyl-5-(3'-indolyl)-isoxazoline","5-(1H-Indol-3-yl)-3-(4-methylphenyl)-4,5-dihydroisoxazoline","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","CI6710","Xiaohe Guo; Xiouxiang Qi; Junbiao Chang","5-(1<i>H</i>-Indol-3-yl)-3-(4-methylphenyl)-4,5-dihydroisoxazoline","Acta Crystallographica Section E","2006","62","1","o374","o375","10.1107/S1600536805040092","","","0.71073","MoKα","","0.0808","0.039","","","0.0764","0.0926","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207744","7.1443","0.0011","10.5308","0.0016","10.5385","0.0016","110.753","0.002","102.521","0.002","91.351","0.002","719.4","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[piperazinium [diaquacobalt(II)-μ-benzene-1,3,5-tricaboxylato-tetraaquacobalt(II)-μ-benzene- 1,3,5-tricaboxylato] dihydrate]","","- C22 H34 Co2 N2 O20 -","- C22 H34 Co2 N2 O20 -","- C22 H34 Co2 N2 O20 -","1","0.5","CI6711","Wei, Wenying; Dong, Yang; Han, Jinyu; Chang, Heying","<i>catena</i>-Poly[piperazinium [diaquacobalt(II)-μ-benzene-1,3,5-tricaboxylato-tetraaquacobalt(II)-μ-benzene-1,3,5-tricaboxylato] dihydrate]","Acta Crystallographica Section E","2006","62","1","m26","m27","10.1107/S160053680503970X","","","0.71073","MoKα","","0.052","0.0364","","","0.0911","0.0981","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207745","15.6006","0.0011","22.8892","0.0017","11.5193","0.0008","90","","115.704","0.002","90","","3706.3","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{Bis[aqua(1,10-phenanthroline)]zinc(II)}^.^pamoato^.^ monohydrate","","- C47 H36 N4 O9 Zn -","- C47 H36 N4 O9 Zn -","- C188 H144 N16 O36 Zn4 -","4","0.5","CI6712","Ai-Qing Ma; Zhen-Bin Jia; Guo-Ping Wang","Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) pamoate monohydrate","Acta Crystallographica Section E","2006","62","1","m21","m23","10.1107/S1600536805039425","","","0.71073","MoKα","","0.1009","0.0836","","","0.153","0.1603","","","","","","1.199","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207746","9.9826","0.0019","17.858","0.003","11.703","0.002","90","","91.667","0.003","90","","2085.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[1-(3,4-Dichlorophenyl)-3-oxo-3-phenylpropyl]-3,4-dihydro-2H- naphthalen-1-one","","- C25 H20 Cl2 O2 -","- C25 H20 Cl2 O2 -","- C100 H80 Cl8 O8 -","4","1","CI6714","Liang-Ce Rong; Xiao-Yue Li; Chang-Sheng Yao; Hai-Ying Wang; Da-Qing Shi","2-[1-(3,4-Dichlorophenyl)-3-oxo-3-phenylpropyl]-3,4-dihydro-2<i>H</i>-naphthalen-1-one","Acta Crystallographica Section E","2006","62","1","o35","o36","10.1107/S1600536805039449","","","0.71073","MoKα","","0.0978","0.0534","","","0.1307","0.1481","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207747","7.508","0.006","16.493","0.009","27.952","0.009","90","","90","","90","","3461","4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","1,3-Bis(4-methoxyphenyl)-2-benzothiophene","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C176 H144 O16 S8 -","8","1","CI6716","K. Palani; P. Amaladass; A. K. Mohanakrishnan; M. N. Ponnuswamy","1,3-Bis(4-methoxyphenyl)-2-benzothiophene","Acta Crystallographica Section E","2006","62","1","o49","o51","10.1107/S1600536805039589","","","0.71073","MoKα","","0.0955","0.058","","","0.1716","0.2351","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207748","6.958","0.0013","9.5297","0.0018","14.695","0.003","99.9","0.003","102.505","0.003","106.527","0.003","883.1","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2,6-Diamino-4-(4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile N,N-dimethylformamide solvate","","- C17 H18 N6 O2 -","- C17 H18 N6 O2 -","- C34 H36 N12 O4 -","2","1","CI6717","Shu-Jiang Tu; Jia-Ning Xu; Jin-Peng Zhang; Xiao-Tong Zhu; Qian Wang","2,6-Diamino-4-(4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2006","62","1","o64","o65","10.1107/S1600536805039887","","","0.71073","MoKα","","0.101","0.0461","","","0.0994","0.1273","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207749","9.961","0.004","10.677","0.005","14.073","0.005","90","","90","","90","","1496.7","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-(Anthracen-9-yl)-3H-isobenzofuran-1-one","","- C22 H14 O2 -","- C22 H14 O2 -","- C88 H56 O8 -","4","1","CI6718","K. Palani; P. Amaladass; A. K. Mohanakrishnan; M. N. Ponnuswamy","3-(Anthracen-9-yl)-3<i>H</i>-isobenzofuran-1-one","Acta Crystallographica Section E","2006","62","1","o55","o57","10.1107/S1600536805039553","","","0.71073","MoKα","","0.1025","0.0488","","","0.1053","0.1249","","","","","","1.059","","","","has coordinates,has Fobs","209451","2020-10-21","18:00:00",""
"2207750","9.029","0.003","14.891","0.007","9.8459","0.0017","90","","117.588","0.018","90","","1173.3","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(1,2-Diphenylvinyl)-2-methyl-1-phenylsulfonyl-1H-indole","","- C29 H23 N O2 S -","- C29 H23 N O2 S -","- C58 H46 N2 O4 S2 -","2","1","CI6719","K. Palani; P. Jaisankar; P. C. Srinivasan; M. N. Ponnuswamy","3-(1,2-Diphenylvinyl)-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2006","62","1","o271","o273","10.1107/S1600536805041607","","","0.71073","MoKα","","0.0622","0.0522","","","0.1298","0.1371","","","","","","1.064","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207751","7.88","0.0013","9.602","0.0016","9.9864","0.0017","82.21","0.003","81.487","0.003","71.087","0.003","703.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-Benzenesulfonyl-2,3-dimethyl-1H-indole","","- C16 H15 N O2 S -","- C16 H15 N O2 S -","- C32 H30 N2 O4 S2 -","2","1","CI6720","K. Palani; M. N. Ponnuswamy; P. Jaisankar; P. C. Srinivasan; M. Nethaj","1-Benzenesulfonyl-2,3-dimethyl-1<i>H</i>-indole","Acta Crystallographica Section E","2006","62","1","o85","o87","10.1107/S1600536805039899","","","0.71073","MoKα","","0.0696","0.0517","","","0.1342","0.1447","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207752","22.737","0.007","7.28","0.002","15.28","0.004","90","","90","","90","","2529.2","1.2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1-[3,5-Bis(bromomethyl)-2,4,6-trimethoxybenzyl]-3,5-bis(bromomethyl)-2,4,6- trimethoxybenzene","","- C23 H28 Br4 O6 -","- C23 H28 Br4 O6 -","- C92 H112 Br16 O24 -","4","0.5","CI6723","Morgans, G. L.; Otterlo, W. A. L. van; Michael, J. P.; Fernandes, M. A.","1-[3,5-Bis(bromomethyl)-2,4,6-trimethoxybenzyl]-3,5-bis(bromomethyl)-2,4,6-trimethoxybenzene","Acta Crystallographica Section E","2006","62","1","o168","o170","10.1107/S1600536805040559","","","0.71073","MoKα","","0.0421","0.0283","","","0.0688","0.0726","","","","","","0.981","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207753","8.052","0.006","8.492","0.007","12.544","0.01","91.441","0.013","106.324","0.013","109.489","0.013","769.3","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,13-Dimethyl-6H,7H,8H-chromeno[3',4':5,6]pyrano[3,2-c]chromene-6,8-dione","","- C21 H14 O5 -","- C21 H14 O5 -","- C42 H28 O10 -","2","1","CI6727","M. Iqbal Choudhary; Alain Meli Lannang; Shazia Anjum; Hoong-Kun Fun; David Lontsi; Jean Gustave Tangmouo","1,13-Dimethyl-6<i>H</i>,7<i>H</i>,8<i>H</i>-chromeno[3',4':5,6]pyrano[3,2-<i>c</i>]chromene-6,8-dione","Acta Crystallographica Section E","2006","62","1","o116","o118","10.1107/S1600536805040523","","","0.71073","MoKα","","0.076","0.0473","","","0.1115","0.1359","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207754","12.4444","0.0001","6.1239","0.0001","14.9076","0.0003","90","","107.957","0.001","90","","1080.74","0.03","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cadmium(II) bis[thiosemicarbazide] maleate","Bis(thiosemicarbazide)cadmium(II) bis(maleate) dihydrate","","- C10 H24 Cd N6 O12 S2 -","- C10 H24 Cd N6 O12 S2 -","- C20 H48 Cd2 N12 O24 S4 -","2","0.5","CI6728","Sheng-Li Li; Hoong-Kun Fun; Suchada Chantrapromma; Jie-Ying Wu; Yu-Peng Tian","Bis(thiosemicarbazide)cadmium(II) bis(maleate) dihydrate","Acta Crystallographica Section E","2006","62","1","m64","m66","10.1107/S1600536805040808","","","0.71073","MoKα","","0.0552","0.0417","","","0.0948","0.0983","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207755","12.193","0.004","12.506","0.004","14.449","0.005","82.348","0.007","68.816","0.006","83.036","0.007","2029.7","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Cyano-3-fluorophenyl (2E)-3-(3-methoxy-4-pentyloxyphenyl)acrylate","","- C22 H22 F N O4 -","- C22 H22 F N O4 -","- C88 H88 F4 N4 O16 -","4","2","CI6729","Rui Ren; Xue-Mei Li; Qiang Li; Shu-Sheng Zhang","4-Cyano-3-fluorophenyl (2<i>E</i>)-3-(3-methoxy-4-pentyloxyphenyl)acrylate","Acta Crystallographica Section E","2006","62","1","o293","o294","10.1107/S1600536805041917","","","0.71073","MoKα","","0.1237","0.0585","","","0.1351","0.1733","","","","","","0.982","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2207756","7.8938","0.0001","10.1976","0.0001","13.7937","0.0002","79.311","0.001","80.926","0.001","87.85","0.001","1077.4","0.02","100","0.1","297","2","","","","","","","","3","P -1","-P 1","2","β-mangostin","1,6-Dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one","","- C25 H28 O6 -","- C25 H28 O6 -","- C50 H56 O12 -","2","1","CI6734","Suchada Chantrapromma; Nawong Boonnak; Hoong-Kun Fun; Chatchanok Karalai","1,6-Dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-butenyl)-9<i>H</i>-xanthen-9-one","Acta Crystallographica Section E","2006","62","1","o360","o362","10.1107/S1600536805042303","","","0.71073","MoKα","","0.0541","0.0435","","","0.1272","0.1402","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207757","10.1546","0.0012","11.2503","0.0015","12.2583","0.0011","74.822","0.004","74.551","0.004","70.901","0.004","1251.8","0.3","292","2","292","2","","","","","","","","6","P -1","-P 1","2","none","Hexaaquadodeca-μ-chloro-hexaniobium(II,III) dichloride 2,2'-bipyridine trisolvate","","- C30 H36 Cl14 N6 Nb6 O6 -","- C30 H36 Cl14 N6 Nb6 O6 -","- C30 H36 Cl14 N6 Nb6 O6 -","1","0.5","CV6596","Maria S. Tarasenko; Alexander V. Virovets; Nikolai G. Naumov; Vladimir E. Fedorov","Hexaaquadodeca-μ-chloro-hexaniobium(II,III) dichloride 2,2'-bipyridine trisolvate","Acta Crystallographica Section E","2006","62","1","m175","m178","10.1107/S1600536805040171","","","0.71073","MoKα","","0.057","0.037","","","0.0833","0.0939","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207758","7.2541","0.001","14.0943","0.0014","14.3507","0.0015","90","","90","","90","","1467.2","0.3","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","codeinone","4,5α-epoxy-3-methoxy-17-methylmorphin-7-ene-6-one","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","CV6610","Tsonko Kolev; Rumyana Bakalska; Boris Shivachev; Rosica Petrova","Codeinone","Acta Crystallographica Section E","2006","62","1","o255","o257","10.1107/S1600536805039231","","","0.71073","MoKα","","0.1714","0.0604","","","0.0913","0.1182","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207759","8.389","0.001","14.755","0.001","14.473","0.002","90","","100.47","0.01","90","","1761.6","0.3","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(+)-1-[(R)-3,3,3-Trifluoro-2-methoxy-2-phenylpropionyl]- 4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)- 1,3-dioxolan-4-yl]methoxy}phenyl)piperazine methanol solvate","","- C35 H37 Cl2 F3 N4 O6 -","- C35 H37 Cl2 F3 N4 O6 -","- C70 H74 Cl4 F6 N8 O12 -","2","1","CV6612","Oswald M. Peeters; Prasad L. Polavarapu; Peng Zhang; Lajos Gera; Joseph Gal","(+)-1-[(<i>R</i>)-3,3,3-Trifluoro-2-methoxy-2-phenylpropionyl]-4-(4-{[(2<i>R</i>,4<i>S</i>)-2-(2,4-dichlorophenyl)-2-(1<i>H</i>-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine methanol solvate","Acta Crystallographica Section E","2006","62","1","o191","o192","10.1107/S1600536805041048","","","1.54178","CuKα","","0.0937","0.0609","","0.1857","","0.1857","","","1.065","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207760","8.0505","0.0006","14.0971","0.001","21.899","0.0015","90","","90","","90","","2485.3","0.3","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-Amino-1-(4-nitrobenzyl)pyridinium bromide","","- C12 H12 Br N3 O2 -","- C12 H12 Br N3 O2 -","- C96 H96 Br8 N24 O16 -","8","1","CV6613","Sundar, T. V.; Parthasarathi, V.; Sridhar, B.; Venkatesan, P.; Nallu, M.","2-Amino-1-(4-nitrobenzyl)pyridinium bromide","Acta Crystallographica Section E","2006","62","1","o74","o76","10.1107/S1600536805039735","","","0.71073","MoKα","","0.0387","0.0317","","","0.0804","0.0847","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207761","11.519","0.002","18.162","0.003","8.64","0.003","90","","90.213","0.002","90","","1807.5","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-Diphenyl-3-(2-pyridyl)pentane-1,5-dione","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","CV6614","Xian-Qiang Huang; Da-Qi Wang; Jian-Min Dou; Jin-Xian Wang","1,5-Diphenyl-3-(2-pyridyl)pentane-1,5-dione","Acta Crystallographica Section E","2006","62","1","o60","o61","10.1107/S1600536805040080","","","0.71073","MoKα","","0.0887","0.0449","","","0.0996","0.1279","","","","","","0.999","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207762","12.5849","0.0009","14.5963","0.001","7.2955","0.0005","90","","101.825","0.001","90","","1311.69","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(4-fluorophenyl)-3-propyl-7H-1,2,4-triazolo[3,4-b][1,3,4] thiadiazine","","- C13 H13 F N4 S -","- C13 H13 F N4 S -","- C52 H52 F4 N16 S4 -","4","1","CV6615","Li-Xue Zhang; Jian-Yu Jin; San-Nu Zhou; Hong-Ping Xiao; An-Jiang Zhang","6-(4-Fluorophenyl)-3-propyl-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2006","62","1","o156","o157","10.1107/S1600536805039954","","","0.71073","MoKα","","0.0715","0.0657","","","0.1398","0.1432","","","","","","1.255","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207763","12.787","0.004","9.918","0.003","13.524","0.004","90","","90","","90","","1715.1","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-hydroxyphenyl)acrylamide","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C72 H72 N8 O16 -","8","1","CV6616","Wei-Qiang Chen; Qi-Ya; Xuan-Ming Duan","<i>N</i>-(4-Hydroxyphenyl)acrylamide","Acta Crystallographica Section E","2006","62","1","o145","o146","10.1107/S1600536805040730","","","0.71073","MoKα","","0.0502","0.0392","","","0.1237","0.1338","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207764","8.2277","0.0005","14.9414","0.0009","14.3046","0.0007","90","","110.639","0.003","90","","1645.65","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Adipato-κ^4^O,O';O'',O'''-bis[chloro(2,9-dimethyl-1,10-phenanthroline- κ^2^N,N)copper(II)] dihydrate","","- C34 H36 Cl2 Cu2 N4 O6 -","- C34 H36 Cl2 Cu2 N4 O6 -","- C68 H72 Cl4 Cu4 N8 O12 -","2","0.5","CV6619","Fang-Lin Du; Cai-Feng Ding; Mei Zhu; Xue-Mei Li; Shu-Sheng Zhang","μ-Adipato-κ^4^<i>O</i>,<i>O</i>';<i>O</i>'',<i>O</i>'''-bis[chloro(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)copper(II)] dihydrate","Acta Crystallographica Section E","2006","62","1","m149","m150","10.1107/S1600536805041991","","","0.71073","MoKα","","0.0342","0.0318","","","0.0907","0.0923","","","","","","1.159","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2207765","12.178","0.002","8.995","0.0018","17.085","0.003","90","","110.03","0.03","90","","1758.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-amino-4-phenyl-4H-benzo[h]chromene-3-carboxylate","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","1","CV6620","Tang, Shi-Gui; Gu, Xi-Feng; Wei, Ping","Ethyl 2-amino-4-phenyl-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate","Acta Crystallographica Section E","2006","62","1","o136","o137","10.1107/S1600536805040729","","","0.71073","MoKα","","0.1604","0.066","","","0.1533","0.1874","","","","","","1.096","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207766","14.5706","0.0006","18.4117","0.0006","8.0479","0.0005","90","","101.185","0.004","90","","2118","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(1,4-anisidinium) cyclotetraphosphate hexahydrate","","- C28 H52 N4 O22 P4 -","- C28 H52 N4 O22 P4 -","- C56 H104 N8 O44 P8 -","2","0.5","DN6264","Soumhi, El Hassane; Saadoune, Ismael; Driss, Ahmed","Tetrakis(1,4-anisidinium) cyclotétraphosphate hexahydrate","Acta Crystallographica Section E","2006","62","1","o212","o214","10.1107/S1600536805040419","","","0.71073","MoKα","","0.0524","0.0483","","","0.1105","0.1123","","","","","","1.187","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207767","10.5691","0.0013","13.7434","0.0017","13.9871","0.0017","78.876","0.002","72.706","0.002","88.624","0.002","1902.2","0.4","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","2,6-Dibenzhydryl-8b,8c-diphenyl-2,3,5,6,8b,8c-hexahydro-2,3a,4a,6,7a,8a-hexaaza- 1H,4H-cyclopenta[def]fluorene-4,8-dione","","- C46 H40 N6 O2 -","- C46 H40 N6 O2 -","- C92 H80 N12 O4 -","2","1","DN6280","Li, Yi-Tao; Wang, Yu-Zhou; Wu, An-Xin","2,6-Dibenzhydryl-8b,8c-diphenyl-2,3,5,6,8b,8c-hexahydro-2,3a,4a,6,7a,8a-hexaaza-1<i>H</i>,4<i>H</i>-cyclopenta[<i>def</i>]fluorene-4,8-dione","Acta Crystallographica Section E","2006","62","1","o379","o380","10.1107/S1600536805038572","","","0.71073","MoKα","","0.1066","0.0637","","","0.16","0.1903","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207768","13.266","0.003","13.146","0.003","7.821","0.001","90","","90","","90","","1363.9","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","N,N,N',N'tetramethylethane-1,2-diaminium dichromate monohydrate","","- C6 H20 Cr2 N2 O8 -","- C6 H20 Cr2 N2 O8 -","- C24 H80 Cr8 N8 O32 -","4","0.5","DN6281","Khadrani, Hajer; Ben Smail, Ridha; Driss, Ahmed; Jouini, Taher","[(CH~3~)~2~NH(CH~2~)~2~NH(CH~3~)~2~]Cr~2~O~7~·H~2~O, un nouveau dichromate organique","Acta Crystallographica Section E","2006","62","1","m146","m148","10.1107/S160053680504153X","","","0.71073","MoKα","","0.0389","0.0297","","","0.0767","0.0803","","","","","","1.135","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2207769","4.9532","0.0004","47.867","0.004","10.7392","0.0009","90","","102.953","0.002","90","","2481.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-fluorobenzaldehyde (2-hydroxybenzoyl)hydrazone","4-Fluorobenzaldehyde salicylhydrazone","","- C14 H11 F N2 O2 -","- C14 H11 F N2 O2 -","- C112 H88 F8 N16 O16 -","8","2","DN6282","Zhang, Ying; Zhang, Shu-Ping; Wu, Ying-Ying; Shao, Si-Chang","4-Fluorobenzaldehyde salicylhydrazone","Acta Crystallographica Section E","2006","62","1","o119","o120","10.1107/S1600536805040420","","","0.71073","MoKα","","0.1127","0.0543","","","0.1289","0.1477","","","","","","0.866","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207770","11.639","0.005","12.945","0.005","13.192","0.005","90","","94.349","0.005","90","","1981.9","1.4","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Isopropyl-1-[2-(pyrrolidinium-1-yl)ethyl]benzimidazolium diodide","","- C16 H25 I2 N3 -","- C16 H25 I2 N3 -","- C64 H100 I8 N12 -","4","1","DN6284","Mehmet Akkurt; Sevim Türktekin; Nihat Şireci; Hasan Küçükbay; Orhan Büyükgüngör","3-Isopropyl-1-[2-(pyrrolidinium-1-yl)ethyl]benzimidazolium diodide","Acta Crystallographica Section E","2006","62","1","o185","o187","10.1107/S1600536805041280","","","0.71073","MoKα","","0.0445","0.0304","","","0.0624","0.0656","","","","","","1.034","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207771","11.58","0.005","6.32","0.005","16.424","0.005","90","","92.27","0.05","90","","1201.1","1.1","294","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis[3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato]bis(dimethyl sulfoxide)copper(II)","","","- C20 H26 Cu O10 S2 -","- C20 H26 Cu O10 S2 -","- C40 H52 Cu2 O20 S4 -","2","0.5","DN6285","Amel, Djedouani; Abderrahmen, Bendaâs; Bouacida, Sofiane; Adel, Beghidja; Tahar, Douadi","Bis[3-acetyl-6-methyl-2<i>H</i>-pyran-2,4(3<i>H</i>)-dionato]bis(dimethyl sulfoxide)copper(II)","Acta Crystallographica Section E","2006","62","1","m133","m135","10.1107/S1600536805041760","","","0.71073","MoKα","","0.0564","0.0346","","","0.0849","0.0926","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207772","7.826","0.0019","8.929","0.002","14.221","0.003","94.871","0.004","92.332","0.004","114.17","0.004","900.2","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(E)-4-(4-Chlorophenyl)-N-(5-methyl-1,3-benzodioxol-5-ylmethylene)- 5-(1H-1,2,4-triazol-1-yl)-1,3-thiazol-2-amine","","- C19 H12 Cl N5 O2 S -","- C19 H12 Cl N5 O2 S -","- C38 H24 Cl2 N10 O4 S2 -","2","1","DN6288","Shao, Ling; Zhang, Qing; Zhou, Xin; Fang, Jian-Xin","(<i>E</i>)-4-(4-Chlorophenyl)-<i>N</i>-(5-methyl-1,3-benzodioxol-5-ylmethylene)-5-(1<i>H</i>-1,2,4-triazol-1-yl)-1,3-thiazol-2-amine","Acta Crystallographica Section E","2006","62","1","o334","o335","10.1107/S1600536805042212","","","0.71073","MoKα","","0.0684","0.045","","","0.111","0.1265","","","","","","1.014","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207773","8.3633","0.0008","6.62","0.0006","9.7328","0.0011","90","","97.17","0.009","90","","534.64","0.09","100","","100","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","3-tert-butyl-2-hydroxy-5-methylbenzaldehyde","","- C12 H16 O2 -","- C12 H16 O2 -","- C24 H32 O4 -","2","0.5","DN6289","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-<i>tert</i>-Butyl-2-hydroxy-5-methylbenzaldehyde: a redetermination","Acta Crystallographica Section E","2006","62","1","o282","o283","10.1107/S1600536805041887","","","0.71073","MoKα","","0.0423","0.0392","","","0.107","0.1092","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207774","9.138","0.004","14.605","0.006","7.516","0.003","90","","91.447","0.006","90","","1002.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","imidazolium pentahydrogen diphosphate","Phosphoric acid imidazolium dihydrogenphosphate","","- C3 H10 N2 O8 P2 -","- C3 H10 N2 O8 P2 -","- C12 H40 N8 O32 P8 -","4","1","FL6198","Chen, Chen; Zavalij, Peter Y.; Whittingham, M. Stanley","Phosphoric acid imidazolium dihydrogenphosphate","Acta Crystallographica Section E","2006","62","1","o258","o260","10.1107/S1600536805041103","","","0.71073","MoKα","","0.0465","0.038","","","0.0753","0.079","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207775","7.5982","0.001","10.1226","0.0013","6.8106","0.001","90","","118.596","0.005","90","","459.93","0.11","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","5-aminopyrimidine","5-Aminopyrimidine","","- C4 H5 N3 -","- C4 H5 N3 -","- C16 H20 N12 -","4","0.5","FL6204","Schlueter, John A.; Funk, Russell J.; Geiser, Urs","5-Aminopyrimidine","Acta Crystallographica Section E","2006","62","1","o339","o341","10.1107/S1600536805042236","","","0.71073","MoKα","","0.042","0.0391","","","0.1255","0.1298","","","","","","1.119","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207776","11.219","0.002","7.696","0.0016","11.957","0.003","90","","98.527","0.003","90","","1021","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl N'-cyano-N-(3-pyridinylmethyl)imidothiocarbamate","","- C9 H10 N4 S -","- C9 H10 N4 S -","- C36 H40 N16 S4 -","4","1","GH6032","Bi-Jian Lan; Peng Guo; Zhen-Guang Zou; Yin-Xiang Lu","Methyl <i>N</i>'-cyano-<i>N</i>-(3-pyridylmethyl)imidothiocarbamate","Acta Crystallographica Section E","2006","62","1","o383","o385","10.1107/S1600536805042601","","","0.71073","MoKα","","0.0547","0.0335","","","0.0871","0.1007","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207777","5.338","0.0011","7.468","0.0015","9.641","0.0019","79.23","0.03","88.91","0.03","71.93","0.03","358.63","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-Diaquabis(pyridazine-3-carboxylato-κ^2^N,O)magnesium(II) dihydrate","","- C10 H14 Mg N4 O8 -","- C10 H14 Mg N4 O8 -","- C10 H14 Mg N4 O8 -","1","0.5","HB6299","Michał Gryz; Wojciech Starosta; Janusz Leciejewicz","<i>trans</i>-Diaquabis(pyridazine-3-carboxylato-κ^2^<i>N</i>,<i>O</i>)magnesium(II) dihydrate","Acta Crystallographica Section E","2006","62","1","m123","m124","10.1107/S1600536805041516","","","0.71073","MoKα","","0.0742","0.0413","","","0.1223","0.1373","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207778","8.8737","0.0016","10.5634","0.0019","12.587","0.002","103.566","0.003","97.981","0.003","110.409","0.003","1042.9","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-sulfato-κ^3^O,O':O'';κ^3^O,O':O''-bis{aqua[2,4,6-tris(2-pyridyl)- 1,3,5-triazine-κ^3^N^1^,N^2^,N^6^]manganese(II)} tetrahydrate","","- C36 H36 Mn2 N12 O14 S2 -","- C36 H36 Mn2 N12 O14 S2 -","- C36 H36 Mn2 N12 O14 S2 -","1","0.5","HB6305","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Di-μ-sulfato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'';κ^3^<i>O</i>,<i>O</i>':<i>O</i>''-bis{aqua[2,4,6-tris(2-pyridyl)-1,3,5-triazine-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]manganese(II)} tetrahydrate","Acta Crystallographica Section E","2006","62","1","m141","m143","10.1107/S1600536805041528","","","0.71073","MoKα","","0.1056","0.0661","","","0.0989","0.1093","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207779","7.8345","0.0006","9.3814","0.0008","11.0965","0.0009","90","","91.284","0.001","90","","815.37","0.11","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Piperazinium(2+) hexaaquairon(II) bis(sulfate)","","- C4 H24 Fe N2 O14 S2 -","- C4 H24 Fe N2 O14 S2 -","- C8 H48 Fe2 N4 O28 S4 -","2","0.5","HG6264","Zhi-Wei Xu; Yun-Long Fu; Jia-Lin Ren","Piperazinium(2+) hexaaquairon(II) bis(sulfate)","Acta Crystallographica Section E","2006","62","1","m161","m162","10.1107/S1600536805042170","","","0.71073","MoKα","","0.035","0.0333","","","0.0836","0.0849","","","","","","1.101","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207780","7.3383","0.0006","8.0955","0.0006","10.2042","0.0008","69.917","0.001","86.852","0.001","88.965","0.001","568.48","0.08","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","(1RS,3SR,8SR,10RS-3,5,7,7,10,12,12,14-octamethyl-1,4,8,11- tetraazacyclotetradeca-4,11-diene-κ^4^N^1,4,8,11^)nickel(II) bis(thiocyanate)","","- C20 H36 N6 Ni S2 -","- C20 H36 N6 Ni S2 -","- C20 H36 N6 Ni S2 -","1","0.5","HG6270","Neil F. Curtis; Rebekah Pawley; Ward T. Robinson","<i>C</i>-<i>meso</i>-(3,5,7,7,10,12,12,14-Octamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) bis(thiocyanate)","Acta Crystallographica Section E","2006","62","1","m80","m82","10.1107/S160053680504078X","","","0.71073","MoKα","","0.0242","0.0234","","","0.06","0.0607","","","","","","1.063","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207781","14.857","0.0014","5.969","0.0005","19.3667","0.0018","90","","102.53","0.001","90","","1676.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[N-Methyl-N-(4-methylbenzyl)aminomethyl]ferrocene","","- C20 H23 Fe N -","- C20 H23 Fe N -","- C80 H92 Fe4 N4 -","4","1","HG6271","Hong-Xing Wang; Hong-Fei Wu; Feng-Ying Geng; Ren-Qing Gao; Hui-Chao Zhou","1-[<i>N</i>-Methyl-<i>N</i>-(4-methylbenzyl)aminomethyl]ferrocene","Acta Crystallographica Section E","2006","62","1","m14","m15","10.1107/S160053680503936X","","","0.71073","MoKα","","0.0336","0.0266","","","0.0738","0.0783","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207782","28.318","0.002","7.0471","0.0005","15.094","0.001","90","","90","","90","","3012.2","0.4","299","2","299","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4,5-Dibromo-N-(8-quinolyl)thiophene-2-sulfonamide","","- C13 H8 Br2 N2 O2 S2 -","- C13 H8 Br2 N2 O2 S2 -","- C104 H64 Br16 N16 O16 S16 -","8","2","HG6272","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","4,5-Dibromo-<i>N</i>-(8-quinolyl)thiophene-2-sulfonamide","Acta Crystallographica Section E","2006","62","1","o309","o310","10.1107/S1600536805041693","","","0.71073","MoKα","","0.0863","0.0447","","","0.0902","0.1032","","","","","","0.884","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207783","5.653","0.0007","8.0292","0.0009","25.49","0.003","90","","90.906","0.005","90","","1156.8","0.2","295","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Phenyl-6-(p-tolylsulfanyl)-4,4a,6,7,8,8a-hexahydro-2H- pyrano[3,2-d][1,3]dioxine-7,8-diyl diacetate","","- C24 H26 O7 S -","- C24 H26 O7 S -","- C48 H52 O14 S2 -","2","1","HG6274","Zhou, Feng-Yan; Zhou, Feng-Yan; Zhong, Jian-Hua","2-Phenyl-6-(<i>p</i>-tolylsulfanyl)-4,4a,6,7,8,8a-hexahydro-2<i>H</i>-pyrano[3,2-<i>d</i>][1,3]dioxane-7,8-diyl diacetate","Acta Crystallographica, Section E: Structure Reports Online","2006","62","1","o266","o267","10.1107/S1600536805039176","","","0.7107","MoKα","","","0.088","","","","0.163","","","","","","1","","","","has coordinates,has Fobs","209472","2020-10-21","18:00:00",""
"2207784","8.29","0.0014","24.778","0.005","7.7083","0.0014","90","","93.966","0.003","90","","1579.6","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Methylbenzylideneamino)-3-[(1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,4- triazole-5(4H)-thione monohydrate","","- C13 H15 N7 O S -","- C13 H15 N7 O S -","- C52 H60 N28 O4 S4 -","4","1","HG6276","Xiao-Ling Yang; Yu-Qing Shang; Guan-Ping Yu; Guo-Dong Si","4-(4-Methylbenzylideneamino)-3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione monohydrate","Acta Crystallographica Section E","2006","62","1","o13","o14","10.1107/S1600536805039371","","","0.71073","MoKα","","0.0808","0.0405","","","0.0945","0.1126","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207785","9.6596","0.0007","14.5552","0.0011","13.547","0.001","90","","90","","90","","1904.7","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","trans-1,2-Bis(1-methylbenzimidazol-2-yl)cyclohexane monohydrate","","- C22 H26 N4 O -","- C22 H26 N4 O -","- C88 H104 N16 O4 -","4","1","HG6277","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","<i>trans</i>-1,2-Bis(1-methylbenzimidazol-2-yl)cyclohexane monohydrate","Acta Crystallographica Section E","2006","62","1","o140","o142","10.1107/S1600536805040444","","","0.71073","MoKα","","0.0464","0.0412","","","0.1024","0.106","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207786","14.93","0.004","6.6524","0.0012","9.0261","0.0012","90","","90.214","0.017","90","","896.5","0.3","150","","150","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","N-Methylbenzimidazole N-methylbenzimidazolium hexafluorophosphate (1/1/1)","","- C16 H17 F6 N4 P -","- C16 H17 F6 N4 P -","- C32 H34 F12 N8 P2 -","2","0.25","HG6278","Kooijman, Huub; Velders, Aldrik H.; Spek, Anthony L.","<i>N</i>-Methylbenzimidazole <i>N</i>-methylbenzimidazolium hexafluorophosphate","Acta Crystallographica Section E","2006","62","1","o21","o23","10.1107/S1600536805039383","","","0.71073","MoKα","","0.0414","0.0385","","","0.1038","0.1064","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207787","7.1923","0.0007","8.9872","0.0008","9.4241","0.0009","115.136","0.006","107.201","0.005","95.617","0.004","508.91","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chloro-bis[(2,2-bipyridine)chlorocopper(II)]","","- C20 H16 Cl4 Cu2 N4 -","- C20 H16 Cl4 Cu2 N4 -","- C20 H16 Cl4 Cu2 N4 -","1","0.5","HG6279","Kostakis, George E.; Nordlander, Ebbe; Haukka, Matti; Plakatouras, John C.","Di-μ-chloro-bis[(2,2-bipyridine)chlorocopper(II)]","Acta Crystallographica Section E","2006","62","1","m77","m79","10.1107/S1600536805040754","","","0.71073","MoKα","","0.1114","0.0633","","","0.1604","0.1796","","","","","","1.168","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207788","11.1239","0.001","9.0159","0.0007","11.9664","0.0009","90","","113.97","0.007","90","","1096.63","0.17","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","5-Methyl-3-(5-methylisoxazol-3-yl)cyclohex-2-enone","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","HG6281","K. R. Scott; Butcher, Ray J.; Hanson, Clive D.","5-Methyl-3-(5-methylisoxazol-3-yl)cyclohex-2-enone","Acta Crystallographica Section E","2006","62","1","o215","o217","10.1107/S1600536805040766","","","1.5418","CuKα","","0.0606","0.0523","","","0.1309","0.1426","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207789","6.2647","0.0004","12.2138","0.001","16.459","0.002","101.137","0.012","93.566","0.009","100.306","0.007","1209.6","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","5,5-Dimethyl-3-(5-methylisoxazol-3-yl)cyclohex-2-enone","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","2","HG6282","K. R. Scott; Butcher, Ray J.; Hanson, Clive D.","5,5-Dimethyl-3-(5-methylisoxazol-3-yl)cyclohex-2-enone","Acta Crystallographica Section E","2006","62","1","o218","o220","10.1107/S1600536805040778","","","1.54178","CuKα","","0.1075","0.0588","","","0.1228","0.1482","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207790","16.297","0.004","10.6","0.003","14.649","0.005","90","","90","","90","","2530.6","1.3","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Benzimidazolium 3,5-dihydroxybenzoate","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","HG6284","Xuan Huang; Jia-Geng Liu; Duan-Jun Xu","Benzimidazolium 3,5-dihydroxybenzoate","Acta Crystallographica Section E","2006","62","1","o276","o278","10.1107/S160053680504170X","","","0.71073","MoKα","","0.048","0.041","","","0.112","0.115","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207791","12.226","0.004","5.8241","0.0019","13.617","0.004","90","","111.265","0.006","90","","903.6","0.5","293","2","293","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","Di-2-pyridyl ketone azine","","- C22 H16 N6 -","- C22 H16 N6 -","- C44 H32 N12 -","2","0.5","HG6287","Chen, Xu-Dong; Zhang, Lin-Ping; Du, Miao","Di-2-pyridyl ketone azine","Acta Crystallographica Section E","2006","62","1","o284","o285","10.1107/S1600536805041723","","","0.71073","MoKα","","0.0789","0.0541","","","0.1526","0.1687","","","","","","1.162","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207792","24.1289","0.0018","8.8057","0.0007","19.9518","0.0015","90","","123.509","0.001","90","","3534.6","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[(di-2-pyridylamine-κ^2^N^2^,N^2'^)copper(II)]- μ-3,3'-dithiodipropionato-κO,O':κO'']","","- C16 H17 Cu N3 O4 S2 -","- C16 H17 Cu N3 O4 S2 -","- C128 H136 Cu8 N24 O32 S16 -","8","1","HG6825","Bao-Dong Ren; Ya-Juan Zhao","<i>catena</i>-Poly[[(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)]-μ-3,3'-dithiodipropionato-κ<i>O</i>,<i>O</i>':κ<i>O</i>'']","Acta Crystallographica Section E","2006","62","1","m170","m171","10.1107/S1600536805042364","","","0.71073","MoKα","","0.0443","0.0394","","","0.0863","0.0889","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207793","7.076","0.001","12.102","0.001","14.895","0.002","103.9","0.01","97.04","0.02","101.73","0.02","1192.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","DL-methionine DL-methioninium picrate","DL-methionine DL-methioninium picrate","","- C16 H25 N5 O11 S2 -","- C16 H25 N5 O11 S2 -","- C32 H50 N10 O22 S4 -","2","1","HK6032","K. Anitha; S. Athimoolam; R. K. Rajaram","<small>DL</small>-Methionine <small>DL</small>-methioninium picrate","Acta Crystallographica Section E","2006","62","1","o8","o10","10.1107/S1600536805038948","","","0.71073","MoKα","","0.1303","0.0721","","","0.1984","0.237","","","","","","1.033","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2207794","7.357","0.0018","8.083","0.002","10.706","0.003","87.395","0.004","77.128","0.004","72.065","0.005","590.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-(3-Benzoylthioureido)propionic acid","","- C11 H12 N2 O3 S -","- C11 H12 N2 O3 S -","- C22 H24 N4 O6 S2 -","2","1","HK6062","Ngah, Nurziana; Kassim, Mohammad B.; Yamin, Bohari M.","2-(3-Benzoylthioureido)propionic acid","Acta Crystallographica Section E","2006","62","1","o381","o382","10.1107/S1600536805039607","","","0.71073","MoKα","","0.042","0.037","","","0.101","0.104","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207795","22.004","0.0011","6.3299","0.0003","13.6153","0.0007","90","","95.426","0.003","90","","1887.88","0.16","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","8,11-Dihydroxypentacycloundecane-8,11-lactam","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C96 H104 N8 O24 -","8","1","HK6063","Kruger, Hendrik G.; Rademeyer, Melanie; Govender, Thavendran; Gokul, Vikash","8,11-Dihydroxypentacycloundecane-8,11-lactam","Acta Crystallographica Section E","2006","62","1","o42","o44","10.1107/S1600536805039759","","","0.71073","MoKα","","0.0478","0.039","","","0.1016","0.1067","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207796","9.323","0.002","13.355","0.001","25.701","0.001","90","","101.03","0.002","90","","3140.9","0.7","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[N,N'-Bis(1-benzoylethylidene)propylenediiminato(2-)]dipyrrolidinecobalt(III) perchlorate","","- C31 H42 Cl Co N4 O6 -","- C31 H42 Cl Co N4 O6 -","- C124 H168 Cl4 Co4 N16 O24 -","4","1","HK6064","Meghdadi, Soraia; Mahmoudkhani, Amir H.","[<i>N</i>,<i>N</i>'-Bis(1-benzoylethylidene)propylenediiminato(2‒)]dipyrrolidinecobalt(III) perchlorate","Acta Crystallographica Section E","2006","62","1","m69","m71","10.1107/S1600536805040626","","","0.7107","MoKα","","0.094","0.05","","","0.101","0.12","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207797","14.96","0.003","8.2889","0.0011","13.249","0.003","90","","115.015","0.015","90","","1488.8","0.5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Bis(3-formyl-4-hydroxy-5-methoxyphenyl)methane","","- C17 H16 O6 -","- C17 H16 O6 -","- C68 H64 O24 -","4","0.5","HK6065","Odabaşoğlu, Mustafa; Albayrak, Çiğdem; Büyükgüngör, Orhan","Bis(3-formyl-4-hydroxy-5-methoxyphenyl)methane","Acta Crystallographica Section E","2006","62","1","o239","o240","10.1107/S1600536805041334","","","0.71073","MoKα","","0.1","0.046","","","0.093","0.109","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207798","9.919","0.004","12.701","0.009","21.568","0.014","104.74","0.06","94.24","0.04","99.59","0.05","2572","3","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H67 N5 O6 Si -","- C52 H67 N5 O6 Si -","- C104 H134 N10 O12 Si2 -","2","1","HK6066","A. Suvitha; Babu Varghese; M. N. Sudheendra Rao","Bis(diisobutylammonium) tris(naphthalene-2,3-diolato)silicate acetonitrile trisolvate","Acta Crystallographica Section E","2006","62","1","o344","o346","10.1107/S160053680504225X","","","1.5418","CuKα","","0.098","0.0585","","","0.1768","0.2016","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207799","11.826","0.002","10.227","0.002","12.867","0.003","90","","115.74","0.03","90","","1401.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Chlorophenyl)-1-phenylpyrazolidin-3-one","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","HK6067","Shi, Hong; Zhu, Hong-Jun; Wang, Jin-Tang","5-(4-Chlorophenyl)-1-phenylpyrazolidin-3-one","Acta Crystallographica Section E","2006","62","1","o233","o235","10.1107/S1600536805041346","","","0.71073","MoKα","","0.1266","0.0622","","","0.13","0.1784","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207800","15.1984","0.0007","9.834","0.0004","18.9902","0.0008","90","","100.778","0.001","90","","2788.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-5-sulfonatosalicylato)bis[bis(1,10-phenanthroline)cadmium(II)] monohydrate","","- C62 H42 Cd2 N8 O13 S2 -","- C62 H42 Cd2 N8 O13 S2 -","- C124 H84 Cd4 N16 O26 S4 -","2","0.5","IS6151","Fan, Sai-Rong; Xiao, Hong-Ping; Zhu, Long-Guan","Bis(μ-5-sulfonatosalicylato)bis[bis(1,10-phenanthroline)cadmium(II)] monohydrate","Acta Crystallographica Section E","2006","62","1","m18","m20","10.1107/S1600536805039437","","","0.71073","MoKα","","0.034","0.031","","","0.07","0.072","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207801","7.4546","0.0007","12.3272","0.0011","10.5333","0.0009","90","","90.142","0.011","90","","967.95","0.15","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","Triaqua(2,2'-bipyridine)(2-sulfonatobenzoato)cobalt(II)","","- C17 H18 Co N2 O8 S -","- C17 H18 Co N2 O8 S -","- C34 H36 Co2 N4 O16 S2 -","2","1","IS6152","Hong-Ping Xiao","Triaqua(2,2'-bipyridine)(2-sulfonatobenzoato)cobalt(II)","Acta Crystallographica Section E","2006","62","1","m95","m97","10.1107/S1600536805041188","","","0.71073","MoKα","","0.0235","0.0231","","","0.0572","0.0574","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207802","10.92","0.004","4.9902","0.0017","27.926","0.01","90","","94.085","0.008","90","","1517.9","0.9","123.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-Phenylethylammonium N-tetradecanoyl-L-phenylalaninate monohydrate","","- C31 H50 N2 O4 -","- C31 H50 N2 O4 -","- C62 H100 N4 O8 -","2","1","IS6153","Ogawa, Toshikazu; Ohta, Akio; Hata, Yoshitoki; Miyagishi, Shigeyoshi; Kunimoto, Ko-Ki","(<i>R</i>)-1-Phenylethylammonium <i>N</i>-tetradecanoyl-<small>L</small>-phenylalaninate monohydrate","Acta Crystallographica Section E","2006","62","1","o153","o155","10.1107/S1600536805040511","","","0.7107","MoKα","","","0.0679","","","","0.1513","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207803","7.261","0.005","15.1156","0.0017","12.3823","0.0015","90","","101.01","0.02","90","","1334","0.9","293","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pentafluorophenyl 3-phenylprop-2-enoate","","- C15 H7 F5 O2 -","- C15 H7 F5 O2 -","- C60 H28 F20 O8 -","4","1","IS6158","Andrade, L.C.R.; Paixão, J. A.; de Almeida, M.J.M.; Tavares da Silva, E. J.; Fernandes Roleira, F. M.","Pentafluorophenyl 3-phenylprop-2-enoate","Acta Crystallographica Section E","2006","62","1","o193","o194","10.1107/S1600536805040389","","","0.71073","MoKα","","0.1717","0.0452","","","0.1029","0.1339","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207804","24.7387","0.001","6.634","0.0003","12.7631","0.0005","90","","107.914","0.002","90","","1993.09","0.15","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8-11-dione ethylene acetal","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","IS6160","Kruger, Hendrik G.; Rademeyer, Melanie; Ramdhani, Reshika","Pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione ethylene acetal","Acta Crystallographica Section E","2006","62","1","o268","o270","10.1107/S1600536805041802","","","0.71073","MoKα","","0.0715","0.0622","","","0.1645","0.172","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207805","7.985","0.002","10.583","0.004","19.79","0.005","90","","90","","90","","1672.4","0.9","296","1","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Nitro-1,2,3,4-tetrahydroquinoline","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C72 H80 N16 O16 -","8","1","IS6161","Jian-Ming Gu; Xiu-Rong Hu; Wei-Ming Xu","7-Nitro-1,2,3,4-tetrahydroquinoline","Acta Crystallographica Section E","2006","62","1","o62","o63","10.1107/S1600536805040067","","","0.71075","MoKα","","","0.0348","","","","0.0713","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207806","20.7083","0.0011","20.7083","0.0011","18.2954","0.001","90","","90","","120","","6794.6","0.6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","2-Amino-4-(3-methyl-3-p-xylylcyclobutyl)-1,3-thiazole","","- C16 H20 N2 S -","- C16 H20 N2 S -","- C288 H360 N36 S18 -","18","1","IS6162","Nezihe Çalıs̨kan; Cemile Daĝ; Mustafa Serkan Soylu; Alaaddin Cukurovali; Nurettin Aykut Koksal","2-Amino-4-(3-methyl-3-<i>p</i>-xylylcyclobutyl)-1,3-thiazole","Acta Crystallographica Section E","2006","62","1","o174","o176","10.1107/S160053680504050X","","","0.71073","MoKα","","0.0514","0.0387","","","0.0951","0.1003","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207807","6.5559","0.0004","13.7147","0.0007","14.52","0.0008","90","","90","","90","","1305.53","0.13","100","2","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Methoxy-N-[2-(methylsulfanyl)phenyl]salicylaldimine","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","1","IS6164","Hamaker, Christopher G.; Corgliano, Danielle M.","3-Methoxy-<i>N</i>-[2-(methylsulfanyl)phenyl]salicylaldimine","Acta Crystallographica Section E","2006","62","1","o68","o69","10.1107/S1600536805040031","","","0.71073","MoKα","","","0.0296","","","","0.0785","","","","","","1.131","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207808","8.048","0.0013","8.5248","0.0014","23.821","0.004","90","","91.676","0.002","90","","1633.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-Ethoxyphenyl)-2-(quinolin-8-yloxy)acetamide","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","IS6167","Yong-Hong Wen; Li-Li Xu; Shu-Sheng Zhang; Xue-Mei Li","<i>N</i>-(4-Ethoxyphenyl)-2-(quinolin-8-yloxy)acetamide","Acta Crystallographica Section E","2006","62","1","o253","o254","10.1107/S1600536805041498","","","0.71073","MoKα","","0.0502","0.0428","","","0.1079","0.1147","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207809","7.6217","0.0006","8.6107","0.0008","25.5989","0.0019","90","","107.322","0.002","90","","1603.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1H-Benzotriazol-1-yl)-1-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-1- yl)ethanone","","- C16 H10 Cl2 N6 O -","- C16 H10 Cl2 N6 O -","- C64 H40 Cl8 N24 O4 -","4","1","IS6173","Jun Wan; Shu-Sheng Zhang; Xue-Mei Li; Chun-Li Li; Ping-Kai Ouyang","2-(1<i>H</i>-Benzotriazol-1-yl)-1-(2,5-dichlorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone","Acta Crystallographica Section E","2006","62","1","o356","o357","10.1107/S160053680504239X","","","0.71073","MoKα","","0.0978","0.0597","","","0.1085","0.1237","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207810","10.799","0.003","10.385","0.003","14.656","0.004","90","","91.292","0.004","90","","1643.2","0.8","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Methyl-1-phenyl-1H-pyrazol-5-yl 2,4-dichlorobenzoate","","- C17 H12 Cl2 N2 O2 -","- C17 H12 Cl2 N2 O2 -","- C68 H48 Cl8 N8 O8 -","4","1","JH6027","Li, Jiang-Sheng; Huang, Peng-Mian; Fan, Mei-Lian; Duan, Xue-Min; Zeng, Tao","3-Methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl 2,4-dichlorobenzoate","Acta Crystallographica Section E","2006","62","1","o33","o34","10.1107/S1600536805039310","","","0.71073","MoKα","","0.1151","0.0578","","","0.1439","0.1776","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207811","7.226","0.001","15.23","0.003","18.222","0.004","90","","92.19","0.03","90","","2003.9","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)]- μ-1,3,4-thiadiazol-2,5-diyldithiodiacetato]","","- C18 H14 Cu N4 O5 S3 -","- C18 H14 Cu N4 O5 S3 -","- C72 H56 Cu4 N16 O20 S12 -","4","1","JH6028","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Gao, Jin-Sheng","<i>catena</i>-Poly[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-1,3,4-thiadiazol-2,5-diyldithiodiacetato]","Acta Crystallographica Section E","2006","62","1","m39","m41","10.1107/S1600536805039784","","","0.71073","MoKα","","0.0551","0.0478","","","0.1562","0.171","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207812","12.284","0.0006","13.2343","0.0007","18","0.0009","90","","100.056","0.001","90","","2881.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(4-nitrobenzoato)bis(trimethylsilylmethyl)tin(IV)","","- C22 H30 N2 O8 Si2 Sn -","- C22 H30 N2 O8 Si2 Sn -","- C88 H120 N8 O32 Si8 Sn4 -","4","1","JH6029","Lin, Sen; Wang, Guo-Yong; Fang, Xiao-Niu; Deng, Rui-Hong; Lu, Zhi-Qiang","Bis(4-nitrobenzoato)bis(trimethylsilylmethyl)tin(IV)","Acta Crystallographica Section E","2006","62","1","m128","m129","10.1107/S1600536805041449","","","0.71073","MoKα","","0.0319","0.0248","","","0.0657","0.0688","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207813","7.0451","0.0008","8.0502","0.001","8.5061","0.001","65.756","0.009","86.505","0.009","85.326","0.009","438.21","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-amino-3-methylprydinium acetate","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C16 H24 N4 O4 -","2","1","JH6030","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","2-Amino-3-methylpyridinium acetate","Acta Crystallographica Section E","2006","62","1","o236","o238","10.1107/S1600536805041255","","","0.71073","MoKα","","0.0544","0.0431","","","0.1126","0.1205","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207814","9.429","0.004","11.209","0.004","15.89","0.007","93.802","0.015","104.333","0.016","112.476","0.014","1479","1.1","296","1","","","","","","","","","","4","P -1","-P 1","2","","4-(3,4-Dimethoxyphenyl)-2-oxo-N,3-bis(3,4,5-trimethoxyphenyl)- 2,3-dihydro-1H-imidazoline-1-carboxamide","","- C30 H33 N3 O10 -","- C30 H33 N3 O10 -","- C60 H66 N6 O20 -","2","1","JH6031","Na Xue; Yong-Zhou Hu","4-(3,4-Dimethoxyphenyl)-2-oxo-<i>N</i>,3-bis(3,4,5-trimethoxyphenyl)-2,3-dihydro-1<i>H</i>-imidazoline-1-carboxamide","Acta Crystallographica Section E","2006","62","1","o327","o328","10.1107/S1600536805042005","","","0.71075","MoKα","","","0.0571","","","","0.1305","","","","","","1.013","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207815","6.824","0.0014","11.916","0.002","16.396","0.003","90","","108.76","0.03","90","","1262.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-(2-Aminoethyl)morpholine-k^2^N,N']aqua(oxalato-k^2^O,O')copper(II) monohydrate","","- C8 H18 Cu N2 O7 -","- C8 H18 Cu N2 O7 -","- C32 H72 Cu4 N8 O28 -","4","1","KP6071","Koćwin-Giełzak, Krystyna; Marciniak, Bernard","[4-(2-Aminoethyl)morpholine-κ^2^<i>N</i>,<i>N</i>']aqua(oxalato-κ^2^<i>O</i>,<i>O</i>')copper(II) monohydrate","Acta Crystallographica Section E","2006","62","1","m155","m157","10.1107/S1600536805042091","","","1.5418","CuKα","","0.0538","0.0458","","","0.1253","0.1308","","","","","","1.064","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207816","4.4215","0.0009","17.836","0.004","18.337","0.004","90","","91.55","0.03","90","","1445.6","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methyl-N'-(2,3,4- trifluorophenyl)urea","","- C13 H12 F3 N5 O2 -","- C13 H12 F3 N5 O2 -","- C52 H48 F12 N20 O8 -","4","1","KP6072","Sheng-Chun Chen; Ming-Yang He; Hong-jun Zhu; Qun Chen","<i>N</i>-(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)-<i>N</i>-methyl-N'-(2,3,4-trifluorophenyl)urea","Acta Crystallographica Section E","2006","62","1","o221","o222","10.1107/S1600536805040997","","","0.71073","MoKα","","0.0845","0.061","","","0.1251","0.1305","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207817","14.216","0.003","8.004","0.002","18.501","0.001","90","","121.19","0.03","90","","1800.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(N,N-Diethylamino)-2,3-diphenylcyclopropenylium tetrafluoroborate","","- C19 H20 B F4 N -","- C19 H20 B F4 N -","- C76 H80 B4 F16 N4 -","4","1","KP6073","Rozycka-Sokolowska, Ewa; Girek, Tomasz; Marciniak, Bernard; Pavlyuk, Volodymyr","1-(<i>N</i>,<i>N</i>-Diethylamino)-2,3-diphenylcyclopropenylium tetrafluoroborate","Acta Crystallographica Section E","2006","62","1","o274","o275","10.1107/S1600536805041814","","","0.71069","MoKα","","0.0671","0.0378","","","0.1048","0.1209","","","","","","0.805","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207818","9.736","0.002","14.75","0.002","7.913","0.002","90","","112.57","0.03","90","","1049.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Allyl-3-(pyrazin-2-yl)-Δ^2^-1H-1,2,4-triazole-5(4H)-thione","","- C9 H9 N5 S -","- C9 H9 N5 S -","- C36 H36 N20 S4 -","4","1","KP6075","Wawrzycka-Gorczyca, Irena; Siwek, Agata; Dobosz, Maria","4-Allyl-3-(pyrazin-2-yl)-Δ^2^-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2006","62","1","o128","o129","10.1107/S1600536805040584","","","1.54178","CuKα","","0.1079","0.0425","","","0.1064","0.1309","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207819","13.7419","0.0003","9.2278","0.0002","29.3016","0.0007","90","","101.719","0.0013","90","","3638.22","0.14","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(dimethylformamide)(tetraphenylporphyrinato)zinc(II)","","- C47 H35 N5 O Zn -","- C47 H35 N5 O Zn -","- C188 H140 N20 O4 Zn4 -","4","1","KP6076","Sophia Lipstman; Israel Goldberg","Unsolvated (dimethylformamide)(tetraphenylporphyrinato)zinc(II)","Acta Crystallographica Section E","2006","62","1","m158","m160","10.1107/S1600536805042224","","","0.71073","MoKα","","0.0963","0.0518","","","0.1139","0.1316","","","","","","1.034","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207820","6.6145","0.0002","11.1194","0.0004","15.0252","0.0008","90","","91.6306","0.0013","90","","1104.65","0.08","250","","250","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-C-Azidomethyl-2-deoxy-3,4-O-isopropylidene-D-ribono-1,5-lactone","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","2","LH2002","Punzo, Francesco; Watkin, David J.; Jenkinson, Sarah F.; da Cruz, Filipa P.; Fleet, George W. J.","2-<i>C</i>-Azidomethyl-2-deoxy-3,4-<i>O</i>-isopropylidene-<small>D</small>-ribono-1,5-lactone","Acta Crystallographica Section E","2006","62","1","o321","o323","10.1107/S1600536805041632","","","0.71073","MoKα","","0.0941","0.0469","","0.1288","0.0871","0.1288","","","","","","1.0765","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207821","7.963","0.001","13.526","0.002","12.159","0.002","90","","96.24","0.01","90","","1301.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-2,3,3a,4,5,6-Hexahydro-7-methyl-1,12-dioxo-2,3a-propanophenalene","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","LH6531","Zewge, Daniel; Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J.","(±)-2,3,3a,4,5,6-Hexahydro-7-methyl-1,12-dioxo-2,3a-propanophenalene: a new four-ring carbocyclic system","Acta Crystallographica Section E","2006","62","1","o11","o12","10.1107/S1600536805038833","","","0.71073","MoKα","","0.103","0.051","","","0.111","0.132","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207822","4.8654","0.0006","9.1161","0.0011","10.0916","0.0012","76.927","0.002","86.987","0.002","86.618","0.002","434.88","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diammine(pyridine-2,6-dicarboxylate)copper(II)","","- C7 H9 Cu N3 O4 -","- C7 H9 Cu N3 O4 -","- C14 H18 Cu2 N6 O8 -","2","1","LH6539","Xiang, Jing; Yin, Ye-Gao; Huang, Xiao-Chun","Diammine(pyridine-2,6-dicarboxylato)copper(II)","Acta Crystallographica Section E","2006","62","1","m4","m6","10.1107/S1600536805037256","","","0.71073","MoKα","","0.0392","0.0369","","","0.1024","0.104","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207823","19.743","0.003","7.863","0.001","14.771","0.002","90","","111.66","0.02","90","","2131.1","0.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Formylquinolin-8-yl acetate","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C96 H72 N8 O24 -","8","1","LH6544","Wang, Wen-Hua; You, Zhong-Lu; Li, Xiao-Feng; Liu, Wei-Sheng","2-Formylquinolin-8-yl acetate","Acta Crystallographica Section E","2006","62","1","o58","o59","10.1107/S1600536805039322","","","0.71073","MoKα","","0.0963","0.0439","","","0.1051","0.1336","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207824","6.7341","0.0009","8.9533","0.0012","24.003","0.003","90","","90","","90","","1447.2","0.3","100","0.1","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Formylpyridine N-(4)-phenylethylthiosemicarbazone","N-Benzyl-2-(2-pyridylethylene)-1-hydrazinecarbothioamide","","- C15 H16 N4 S -","- C15 H16 N4 S -","- C60 H64 N16 S4 -","4","1","LH6546","Hoong-Kun Fun; Suchada Chantrapromma; P. F. Raphel; V. Suni; Maliyeckal R. Prathapachandra Kurup","Pyridine-2-carbaldehyde <i>N</i>^4^-phenethylthiosemicarbazone","Acta Crystallographica Section E","2006","62","1","o125","o127","10.1107/S1600536805039966","","","0.71073","MoKα","","0.036","0.0318","","","0.074","0.0769","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207825","11.102","0.003","14.93","0.004","13.552","0.003","90","","94.676","0.018","90","","2238.8","1","164","2","164","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(18-bromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16- benzohexaoxacyclooctadecine)potassium chlorotrioxochromate","","- C16 H23 Br Cl Cr K O9 -","- C16 H23 Br Cl Cr K O9 -","- C64 H92 Br4 Cl4 Cr4 K4 O36 -","4","1","LH6551","Kotlyar, Sergei A.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Pluzhnik-Gladyr, Sergei M.; Kiriyak, Andrey V.; Chuprin, Gennady N.; Kamalov, Gerbert L.","(4-Bromobenzo-18-crown-6)potassium chlorochromate","Acta Crystallographica Section E","2006","62","1","m120","m122","10.1107/S1600536805039796","","","0.71073","MoKα","","0.1236","0.0793","","","0.1901","0.2132","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207826","7.473","0.0015","8.1841","0.0017","11.956","0.003","74.517","0.003","86.831","0.004","84.019","0.003","700.6","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","5-Formyl-2-methoxyphenyl 2-iodobenzoate","","- C15 H11 I O4 -","- C15 H11 I O4 -","- C30 H22 I2 O8 -","2","1","LH6552","Hu, Qing-Ping; Li, Yan; Zhou, Hong-Yu; Zheng, Xiu-Fang; Ma, Ming-Liang","5-Formyl-2-methoxyphenyl 2-iodobenzoate","Acta Crystallographica Section E","2006","62","1","o109","o110","10.1107/S1600536805039978","","","0.71073","MoKα","","0.0494","0.0359","","","0.0821","0.0891","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207827","15.5204","0.0007","9.8367","0.0004","23.0445","0.001","90","","124.626","0.001","90","","2895","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4aSR,7RS,9aRS)-7-tert-Butyl-9a-methyl-5,5-dioxo-1,2,4a,9a-tetrahydro-8-oxa- 5λ^6^-thiabenzocycloheptan-9-one","","- C14 H22 O4 S -","- C14 H22 O4 S -","- C112 H176 O32 S8 -","8","2","LH6553","Zeller, Matthias; Hunter, Allen D.; Sampson, Paul; Chumachenko, Nataliya","(4a<i>SR</i>,7<i>RS</i>,9a<i>RS</i>)-7-<i>tert</i>-Butyl-9a-methyl-5,5-dioxo-1,2,4a,9a-tetrahydro-8-oxa-5λ^6^-thiabenzocycloheptan-9-one","Acta Crystallographica Section E","2006","62","1","o366","o367","10.1107/S1600536805038584","","","0.71073","MoKα","","0.0404","0.0383","","","0.0983","0.1","","","","","","1.082","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207828","12.4853","0.0013","12.4689","0.0013","9.6914","0.0008","90","","92.952","0.007","90","","1506.7","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium cis-[(R)-aspartato(2-)][(S)-aspartato(2-)]cobaltate(III) 3.5-hydrate","","- C8 H17 Co K N2 O11.5 -","- C8 H16 Co K N2 O11 -","- C32 H64 Co4 K4 N8 O44 -","4","1","LH6554","Versiane, Otavio; Felcman, Judith; Miranda, Jussara Lopes de; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","Potassium <i>cis</i>-[(<i>R</i>)-aspartato(2‒)][(<i>S</i>)-aspartato(2‒)]cobaltate(III) 3.5-hydrate at 120K","Acta Crystallographica Section E","2006","62","1","m52","m55","10.1107/S160053680503998X","","","0.71073","MoKα","","0.0903","0.065","","","0.1627","0.175","","","","","","1.087","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2207829","18.945","0.002","11.7925","0.0019","21.876","0.004","90","","96.587","0.012","90","","4855","1.3","295","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3,4,4,5,5-Hexafluoro-1-[5-(3-fluorophenyl)-2-methyl-3-thienyl]- 2-(2-methyl-5-phenyl-3-thienyl)cyclopent-1-ene","","- C27 H17 F7 S2 -","- C27 H17 F7 S2 -","- C216 H136 F56 S16 -","8","2","LH6558","Pu, Shou-Zhi; Li, Gui-Zhen; Wang, Ru-Ji; Zhao, Ji-Quan","3,3,4,4,5,5-Hexafluoro-1-[5-(3-fluorophenyl)-2-methyl-3-thienyl]-2-(2-methyl-5-phenyl-3-thienyl)cyclopent-1-ene","Acta Crystallographica Section E","2006","62","1","o150","o152","10.1107/S160053680504033X","","","0.71073","MoKα","","0.1011","0.0684","","","0.1289","0.143","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207830","11.7759","0.0011","9.2747","0.0009","18.6871","0.0018","90","","107.76","0.002","90","","1943.7","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Benzyl-2-butylamino-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-one","","- C21 H25 N3 O S -","- C21 H25 N3 O S -","- C84 H100 N12 O4 S4 -","4","1","LH6560","Zeng, Xiao-Hua; Wang, Hong-Mei; Cui, Ze-Ping; Ding, Ming-Wu; He, Hong-Wu","3-Benzyl-2-butylamino-5,6,7,8-tetrahydrobenzothieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","1","o228","o229","10.1107/S1600536805041292","","","0.71073","MoKα","","0.0901","0.0576","","","0.1355","0.1489","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207831","15.492","0.005","15.925","0.005","10.885","0.005","90","","90","","90","","2685.4","1.7","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Aquachlorotriphenyltin(IV) pyridine disolvate","","- C28 H27 Cl N2 O Sn -","- C28 H27 Cl N2 O Sn -","- C112 H108 Cl4 N8 O4 Sn4 -","4","1","LH6561","Shun-Li Li; Jian-Fang Ma; Ying-Ying Liu","Aquachlorotriphenyltin(IV) pyridine disolvate","Acta Crystallographica Section E","2006","62","1","m172","m174","10.1107/S1600536805042315","","","0.71069","MoKα","","0.0223","0.0189","","","0.0476","0.0489","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207832","14.1598","0.0016","14.0629","0.0016","10.8624","0.0012","90","","90","","90","","2163","0.4","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","9-(4-Bromophenyl)-3,3,6,6-tetramethyl-3,4,5,6,9,10-hexahydroacridine- 1,8(2H,7H)-dione","","- C23 H26 Br N O2 -","- C23 H26 Br N O2 -","- C92 H104 Br4 N4 O8 -","4","1","LH6563","Jia-Ning Xu; Jin-Peng Zhang; Qian Wang; Xiao-Tong Zhu; Shu-Jiang Tu","9-(4-Bromophenyl)-3,3,6,6-tetramethyl-3,4,5,6,9,10-hexahydroacridine-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","1","o226","o227","10.1107/S1600536805041127","","","0.71073","MoKα","","0.08","0.0369","","","0.0749","0.0906","","","","","","0.998","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207833","11.9825","0.0016","9.2708","0.0012","22.935","0.003","90","","92.934","0.002","90","","2544.4","0.6","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3,4,4,5,5-Hexafluoro-1,2-bis[2-methyl-5-(3-methylphenyl)-3- thienyl]cyclopent-1-ene","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C116 H88 F24 S8 -","4","1","LH6564","Pu, Shou-Zhi; Yang, Tian-She; Chen, Bing; Xu, Jing-kun","3,3,4,4,5,5-Hexafluoro-1,2-bis[2-methyl-5-(3-methylphenyl)-3-thienyl]cyclopent-1-ene, a new photochromic diarylethene compound","Acta Crystallographica Section E","2006","62","1","o279","o281","10.1107/S1600536805041966","","","0.71073","MoKα","","0.0795","0.0412","","","0.0949","0.1115","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207834","8.841","0.0017","20.584","0.004","22.344","0.002","90","","90","","90","","4066.2","1.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 2-benzyl-1-benzyloxy-6a-methyl-1,2,3,3a,4,6a-hexahydro- 1-azapentalene-3a-carboxylate","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C192 H216 N8 O24 -","8","1","LH6566","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Loaiza, Alix Elena; Jaramillo-Gómez, Luz Marina","Methyl 2-benzyl-1-benzyloxy-6a-methyl-1,2,3,3a,4,6a-hexahydrocyclopenta[<i>b</i>]pyrrole-3a-carboxylate: hydrogen-bonded <i>R</i>~<b>4~</b>^<b>4^</b>(24) sheets","Acta Crystallographica Section E","2006","62","1","o165","o167","10.1107/S1600536805040742","","","0.71073","MoKα","","0.0942","0.0547","","","0.0926","0.1085","","","","","","1.106","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207835","11.684","0.002","9.575","0.0019","7.2052","0.0014","90","","116.53","0.03","90","","721.2","0.3","298","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Nitro-1-deazapurine","","- C6 H4 N4 O2 -","- C6 H4 N4 O2 -","- C24 H16 N16 O8 -","4","1","LH6567","Müller, Jens; Gil Bardají, Elisa; Polonius, Fabian-Alexander","6-Nitro-1-deazapurine","Acta Crystallographica Section E","2006","62","1","o223","o225","10.1107/S1600536805041115","","","0.71073","MoKα","","","0.0531","","","","0.0994","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207836","12.7117","0.0011","14.3888","0.0011","20.4384","0.0011","90","","96.026","0.005","90","","3717.7","0.5","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Decacarbonyl-1κ^3^C,2κ^3^C,3κ^4^C-[μ-1-diphenylarsino-2- (diphenylphosphino)ethane-1:2κ^2^As:P]-triangulo-triruthenium(0)","","- C36 H24 As O10 P Ru3 -","- C36 H24 As O10 P Ru3 -","- C144 H96 As4 O40 P4 Ru12 -","4","1","LH6571","Shawkataly, Omar bin; Chong, Mei-Lin; Fun, Hoong-Kun; Didierjean, Claude; Aubry, Andre","Decacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-[μ-1-diphenylarsino-2-(diphenylphosphino)ethane-1:2κ^2^<i>As</i>:<i>P</i>]-<i>triangulo</i>-triruthenium(0)","Acta Crystallographica Section E","2006","62","1","m168","m169","10.1107/S1600536805042327","","","0.71073","MoKα","","","0.0385","","","","0.0752","","","","","","0.797","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207837","20.5552","0.0015","11.9349","0.0009","21.2725","0.0015","90","","103.87","0.001","90","","5066.5","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(4,7-Diphenyl-1,10-phenanthroline)bis(triphenylphosphine)copper(I) tetrafluoroborate","","- C60 H46 B Cu F4 N2 P2 -","- C60 H46 B Cu F4 N2 P2 -","- C240 H184 B4 Cu4 F16 N8 P8 -","4","1","NG6240","Che, Guang-Bo; Li, Wen-Lian; Li, Tian-Le; Su, Zi-Sheng","(4,7-Diphenyl-1,10-phenanthroline)bis(triphenylphosphine)copper(I) tetrafluoroborate","Acta Crystallographica Section E","2006","62","1","m85","m86","10.1107/S1600536805039851","","","0.71073","MoKα","","0.0588","0.0449","","","0.1282","0.1358","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207838","9.2751","0.0019","11.035","0.002","13.167","0.003","106.5","0.03","101.19","0.03","103.07","0.03","1209.6","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","1,1'-(Butane-1,4-diyl)bi-1H-benzimidazol-3-ium bis[bis(pyridine-2,6-dicarboxylato-κ^3^O,N,O')ferrate(III)] methanol disolvate","","- C48 H40 Fe2 N8 O18 -","- C48 H40 Fe2 N8 O18 -","- C48 H40 Fe2 N8 O18 -","1","0.5","NG6243","Hou, Zhen-Yu; Zhu, Dong-Mei","1,1'-(Butane-1,4-diyl)bis(1<i>H</i>-benzimidazol-3-ium) bis[bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')ferrate(III)] methanol disolvate","Acta Crystallographica Section E","2006","62","1","m1","m3","10.1107/S1600536805039152","","","0.71073","MoKα","","0.0668","0.0563","","","0.1261","0.1307","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207839","17.16","0.005","5.1577","0.0016","10.568","0.003","90","","99.942","0.005","90","","921.3","0.5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis[(pyrimidin-2-ylsulfanyl)acetato]copper(II) dihydrate","","- C12 H18 Cu N4 O8 S2 -","- C12 H18 Cu N4 O8 S2 -","- C24 H36 Cu2 N8 O16 S4 -","2","0.5","NG6263","Hong-Qing Hao; Hui Zhang","Diaquabis[(pyrimidin-2-ylsulfanyl)acetato]copper(II) dihydrate","Acta Crystallographica Section E","2006","62","1","m30","m31","10.1107/S160053680504002X","","","0.71073","MoKα","","0.0585","0.0535","","","0.1216","0.1249","","","","","","1.158","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207840","11.9851","0.0015","28.541","0.004","13.4467","0.0017","90","","111.046","0.002","90","","4292.8","1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-[4-Ferrocenyl-5-(1H-1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-nitrobenzamide","","- C22 H16 Fe N6 O3 S -","- C22 H16 Fe N6 O3 S -","- C176 H128 Fe8 N48 O24 S8 -","8","2","OB6592","Shao, Ling; Zhou, Xin; Hu, Yan; Fang, Jian-Xin","<i>N</i>-[4-Ferrocenyl-5-(1<i>H</i>-1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-nitrobenzamide","Acta Crystallographica Section E","2006","62","1","m49","m51","10.1107/S1600536805040109","","","0.71073","MoKα","","0.1226","0.0487","","","0.0927","0.1154","","","","","","0.986","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207841","9.5139","0.0018","13.681","0.003","12.439","0.003","90","","98.828","0.003","90","","1599.9","0.6","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Chlorophenyl)-N-phenyl-5-(1H-1,2,4-triazol-1-yl)thiazol-2-amine","","- C17 H12 Cl N5 S -","- C17 H12 Cl N5 S -","- C68 H48 Cl4 N20 S4 -","4","1","OB6593","Shao, Ling; Zhou, Xin; Fang, Jian-Xin","4-(4-Chlorophenyl)-<i>N</i>-phenyl-5-(1<i>H</i>-1,2,4-triazol-1-yl)thiazol-2-amine","Acta Crystallographica Section E","2006","62","1","o91","o93","10.1107/S1600536805040146","","","0.71073","MoKα","","0.0592","0.0386","","","0.092","0.1041","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207842","7.742","0.002","12.348","0.003","19.405","0.003","90","","90","","90","","1855.1","0.7","100","2","94","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R)-N-{3-[Bis(methylsulfanyl)methylene]aminopropionoyl}bornane-10,2-sultam","","- C16 H26 N2 O3 S3 -","- C16 H26 N2 O3 S3 -","- C64 H104 N8 O12 S12 -","4","1","OB6594","Dagmara Woźniak; Aneta Szymańska; Artur Sikorski; Antoni Konitz; Tadeusz Lis","(2<i>R</i>)-<i>N</i>-{3-[Bis(methylsulfanyl)methyleneamino]propionoyl}bornane-10,2-sultam","Acta Crystallographica Section E","2006","62","1","o295","o297","10.1107/S1600536805041541","","","0.71073","MoKα","","0.0259","0.0248","","","0.0617","0.0623","","","","","","1.083","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207843","14.356","0.004","9.006","0.002","20.155","0.005","90","","106.305","0.004","90","","2501","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-amino-5-nitrobenzoato-κ^2^O,O')di-n-butyltin(IV)","","- C22 H28 N4 O8 Sn -","- C22 H28 N4 O8 Sn -","- C88 H112 N16 O32 Sn4 -","4","0.5","OB6595","Win, Yip Foo; Guan, Teoh Siang; Yamin, Bohari M.","Bis(2-amino-5-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')di-<i>n</i>-butyltin(IV)","Acta Crystallographica Section E","2006","62","1","m34","m36","10.1107/S1600536805039875","","","0.71073","MoKα","","0.023","0.022","","","0.059","0.06","","","","","","1.14","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207844","7.7654","0.0007","7.9246","0.0007","9.3977","0.0008","113.735","0.002","105.458","0.002","92.253","0.002","503.15","0.08","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","trans-Dichlorobis[N-(3,5-difluorophenyl)isopropylideneamine]palladium(II)","","- C18 H18 Cl2 F4 N2 Pd -","- C18 H18 Cl2 F4 N2 Pd -","- C18 H18 Cl2 F4 N2 Pd -","1","0.5","OB6596","Baldovino-Pantaleón, Oscar; Morales-Morales, David; Hernández-Ortega, Simón","<i>trans</i>-Dichlorobis[<i>N</i>-(3,5-difluorophenyl)isopropylideneamine]palladium(II)","Acta Crystallographica Section E","2006","62","1","m61","m63","10.1107/S1600536805040055","","","0.71073","MoKα","","0.0278","0.0268","","","0.0584","0.0587","","","","","","1.011","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207845","3.6616","0.0005","15.0089","0.0019","10.9791","0.0013","90","","98.823","0.009","90","","596.23","0.13","100.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-Di-3-pyridylpyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C32 H20 N8 O4 -","2","0.5","OB6597","Hirota, Tsuyoshi; Imoda, Tomohiko; Takahashi, Hiroo; Mizuguchi, Jin","3,6-Di-3-pyridylpyrrolo[3,4-<i>c</i>]pyrrole-1,4(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","1","o111","o113","10.1107/S160053680503984X","","","1.5419","CuKα","","","0.068","","","","0.2134","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207846","7.474","0.0004","7.3532","0.0004","28.8604","0.0016","90","","90","","90","","1586.1","0.15","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Co(Sbcmle)(en)]H2O","[N,N-Bis(carboxymethyl)-L-leucinato](1,2-ethanediamine)cobalt(III) monohydrate","","- C12 H24 Co N3 O7 -","- C12 H24 Co N3 O7 -","- C48 H96 Co4 N12 O28 -","4","1","OB6598","Kato, Takashi; Fujii, Tatsuya; Ozawa, Tomohiro; Funahashi, Yasuhiro; Masuda, Hideki","[<i>N</i>,<i>N</i>-Bis(carboxymethyl)-<small>L</small>-leucinato](1,2-ethanediamine)cobalt(III) monohydrate","Acta Crystallographica Section E","2006","62","1","m92","m94","10.1107/S1600536805040407","","","0.7107","MoKα","","","0.0248","","","","0.0517","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207847","3.7635","0.0013","5.853","0.002","16.746","0.006","85.2","0.02","83.79","0.02","89.32","0.02","365.4","0.2","93.1","","","","","","","","","","","5","P -1","-P 1","2","","3,10-Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione","","- C20 H10 Cl2 N2 O2 -","- C20 H10 Cl2 N2 O2 -","- C20 H10 Cl2 N2 O2 -","1","0.5","OB6599","Senju, Takatoshi; Hoki, Tomonori; Mizuguchi, Jin","3,10-Dichloro-5,12-dihydroquino[2,3-<i>b</i>]acridine-7,14-dione","Acta Crystallographica Section E","2006","62","1","o261","o263","10.1107/S1600536805039863","","","1.5418","CuKα","","","0.0568","","","","0.1724","","","","","","1.129","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207848","9.2278","0.0013","9.6269","0.0014","13.172","0.0019","90","","99.736","0.002","90","","1153.3","0.3","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-[(3RS)-3-(4-Chlorophenyl)heptoyl]bornane-10,2-sultam","","- C23 H32 Cl N O3 S -","- C23 H32 Cl N O3 S -","- C46 H64 Cl2 N2 O6 S2 -","2","1","OB6600","Cao, Xiu-Fang; Yin, Jun; Yu, Guang-Ao; Liu, Sheng-Hua","<i>N</i>-[(3<i>RS</i>)-3-(4-Chlorophenyl)heptanoyl]bornane-10,2-sultam","Acta Crystallographica Section E","2006","62","1","o241","o242","10.1107/S1600536805041176","","","0.71073","MoKα","","0.0628","0.0514","","","0.114","0.1197","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207849","8.503","0.0017","11.543","0.002","14.717","0.003","90","","102.74","0.03","90","","1408.9","0.5","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[2-(Hydroxymethyl)anilino]-1-phenylbut-2-en-1-one","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","OB6602","Yao-Cheng Shi; Hong-Jian Cheng","3-[2-(Hydroxymethyl)anilino]-1-phenylbut-2-en-1-one","Acta Crystallographica Section E","2006","62","1","o96","o97","10.1107/S1600536805040390","","","0.71073","MoKα","","0.0867","0.0527","","","0.1506","0.1896","","","","","","1.078","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207850","7.029","0.001","8.829","0.002","11.72","0.002","80.62","0.03","72.66","0.03","76.52","0.03","671.7","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[(μ-3-carboxylatophenoxyacetato-κ^3^O,O':O"")triaquacadmium(II) sesquihydrate]","","- C9 H15 Cd O9.5 -","- C9 H12 Cd O9.5 -","- C18 H24 Cd2 O19 -","2","1","OM6273","Gao, Shan; Ng, Seik Weng","<i>catena</i>-Poly[[[triaquacadmium(II)]-μ-3-carboxylatophenoxyacetato-κ^3^<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>''] sesquihydrate]","Acta Crystallographica Section E","2006","62","1","m179","m180","10.1107/S160053680503850X","","","0.71073","MoKα","","0.033","0.028","","","0.065","0.067","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2207851","8.4321","0.0005","11.6068","0.0007","16.2351","0.001","90","","94.863","0.001","90","","1583.2","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","catena-poly[[iodocopper(I)]-μ-2,4,6,8,9,10-hexamethyl-2,4,6,8,9,10-hexaaza- 1,3,5,7-tetraphosphaadamantane-κ^2^P^1^:P^3^]","","- C6 H18 Cu I N6 P4 -","- C6 H18 Cu I N6 P4 -","- C24 H72 Cu4 I4 N24 P16 -","4","1","OM6275","Sommer, Roger D.; Rheingold, Arnold L.","A copper(I) coordination polymer containing an adamantane P‒N cage ligand","Acta Crystallographica Section E","2006","62","1","m74","m76","10.1107/S1600536805040791","","","0.71073","MoKα","","","0.0269","","","","0.0691","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207852","17.01","0.002","16.56","0.002","22.142","0.003","90","","102.642","0.002","90","","6085.9","1.3","173","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[bis(diphenylphosphino)ethane]rhodium(I) tetraphenylborate","","- C76 H68 B P4 Rh -","- C76 H68 B P4 Rh -","- C304 H272 B4 P16 Rh4 -","4","0.5","OM6278","Bowen, Richard J.; Coyanis, E. Mabel; Layh, Marcus; Meijboom, Reinout; Poole, Craig B.","Bis[bis(diphenylphosphino)ethane]rhodium(I) tetraphenylborate","Acta Crystallographica Section E","2006","62","1","m101","m102","10.1107/S1600536805040717","","","0.71073","MoKα","","","0.0306","","","","0.0743","","","","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207853","13.182","0.0013","5.1106","0.0005","14.2202","0.0014","90","","99.809","0.002","90","","943.98","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(5-fluorouracil-1-acetato)manganese(II)","","- C12 H16 F2 Mn N4 O12 -","- C12 H16 F2 Mn N4 O12 -","- C24 H32 F4 Mn2 N8 O24 -","2","0.5","RN6071","Mao-Lin Hu","Tetraaquabis(5-fluorouracil-1-acetato)manganese(II)","Acta Crystallographica Section E","2006","62","1","m32","m33","10.1107/S1600536805039620","","","0.71073","MoKα","","0.0413","0.0394","","","0.0922","0.0933","","","","","","1.159","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207854","7.7486","0.0015","10.577","0.002","10.947","0.002","103.71","0.03","101.57","0.03","108.43","0.03","789.1","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[aquadiimidazolecadmium(II)]-μ-thiophene-2,5-dicarboxylato]","","- C12 H12 Cd N4 O5 S -","- C12 H12 Cd N4 O5 S -","- C24 H24 Cd2 N8 O10 S2 -","2","1","RN6072","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","<i>catena</i>-Poly[[aquadiimidazolecadmium(II)]-μ-thiophene-2,5-dicarboxylato]","Acta Crystallographica Section E","2006","62","1","m87","m89","10.1107/S1600536805040341","","","0.71073","MoKα","","0.0805","0.0414","","","0.0985","0.1683","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207855","8.226","0.003","17.288","0.006","13.996","0.005","90","","103.82","0.006","90","","1932.8","1.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(2-Chlorophenyl)(4-chlorophenylimino)methyl]ferrocene","","- C23 H17 Cl2 Fe N -","- C23 H17 Cl2 Fe N -","- C92 H68 Cl8 Fe4 N4 -","4","1","RN6073","Yan Zhang; Wen-Yuan Gao; Hai-Xia Chen","1-[(2-Chlorophenyl)(4-chlorophenylimino)methyl]ferrocene","Acta Crystallographica Section E","2006","62","1","m12","m13","10.1107/S1600536805038730","","","0.71073","MoKα","","0.0778","0.0416","","","0.0939","0.1066","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207856","8.6763","0.0012","10.6439","0.0015","15.7934","0.0018","90","","110.803","0.006","90","","1363.4","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Allyl-3,6-dibromo-9H-carbazole","","- C15 H11 Br2 N -","- C15 H11 Br2 N -","- C60 H44 Br8 N4 -","4","1","RN6075","Cui Jian-Lan; Huang, Peng-Mian; Guo, Wen-Long","9-Allyl-3,6-dibromo-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","1","o198","o199","10.1107/S1600536805041036","","","0.71073","MoKα","","0.0568","0.0354","","","0.0802","0.0876","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207857","7.2891","0.0009","13.6044","0.0016","9.4539","0.0012","90","","96.946","0.002","90","","930.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromomethyl-5-chloro-2-benzothiophene","","- C9 H6 Br Cl S -","- C9 H6 Br Cl S -","- C36 H24 Br4 Cl4 S4 -","4","1","RZ6119","Yuan, Yan-Qin; Guo, Sheng-Rong; Zen-Nian Shu; Yong-Bing Gu; Jian-Jun Mo","3-Bromomethyl-5-chloro-2-benzothiophene","Acta Crystallographica Section E","2006","62","1","o77","o78","10.1107/S1600536805039826","","","0.71073","MoKα","","0.0345","0.0283","","","0.0726","0.0749","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207858","7.1872","0.0008","7.562","0.001","10.9203","0.0013","107.887","0.01","97.596","0.01","106.276","0.009","526.49","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-(Methoxycarbonyl)-4-methylthiophen-3-aminium chloride monohydrate","","- C7 H12 Cl N O3 S -","- C7 H12 Cl N O3 S -","- C14 H24 Cl2 N2 O6 S2 -","2","1","RZ6130","Sopková-de Oliveira Santos, Jana; Lancelot, Jean-Charles; Rault, Sylvain","2-(Methoxycarbonyl)-4-methylthiophen-3-aminium chloride monohydrate: the first crystal structure of a 3-aminothiophene-2-carboxylic acid ester","Acta Crystallographica Section E","2006","62","1","o182","o184","10.1107/S1600536805039991","","","0.71073","MoKα","","0.0528","0.0398","","","0.1062","0.1142","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207859","6.112","0.004","10.796","0.002","11.806","0.002","76.18","0.03","87.12","0.03","74.16","0.03","727.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2':6',2''-Terpyridinium perrhenate","","- C15 H12 N3 O4 Re -","- C15 H12 N3 O4 Re -","- C30 H24 N6 O8 Re2 -","2","1","RZ6139","Andrzej Kochel","2,2':6',2''-Terpyridinium perrhenate","Acta Crystallographica Section E","2006","62","1","m37","m38","10.1107/S1600536805039802","","","0.71073","MoKα","","0.073","0.061","","","0.1491","0.1565","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207860","7.949","0.002","8.33","0.002","8.368","0.002","71.267","0.004","80.761","0.005","74.291","0.005","503.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-ethyl-5-methyl-3-methylthio-1H-pyrazole-4-carboxylic acid","","- C8 H12 N2 O2 S -","- C8 H12 N2 O2 S -","- C16 H24 N4 O4 S2 -","2","1","RZ6140","Li-Rong Wen; Ming Li; En-Tao Sun; Jian-Xia Zhou","1-Ethyl-5-methyl-3-methylsulfanyl-1<i>H</i>-pyrazole-4-carboxylic acid","Acta Crystallographica Section E","2006","62","1","o251","o252","10.1107/S1600536805038298","","","0.71073","MoKα","","0.0814","0.0543","","","0.1314","0.1519","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2207861","11.718","0.004","12.103","0.004","14.528","0.005","91.409","0.005","103.988","0.005","113.291","0.005","1819.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[N,N,N',N'-Tetrakis(benzimidazol-2-ylmethyl)ethane-1,2-diamine]nickel(II) dinitrate methanol solvate","","- C35 H36 N12 Ni O7 -","- C35 H36 N12 Ni O7 -","- C70 H72 N24 Ni2 O14 -","2","1","RZ6141","Bing Li; Yu-Hu Wang; Wen Gu; Xin Liu","[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(benzimidazol-2-ylmethyl)ethane-1,2-diamine]nickel(II) dinitrate methanol solvate","Acta Crystallographica Section E","2006","62","1","m83","m84","10.1107/S1600536805039681","","","0.71073","MoKα","","0.0777","0.0441","","","0.1","0.1194","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207862","11.689","0.003","12.283","0.003","13.223","0.003","90","","95.771","0.004","90","","1888.9","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-Methylpyrimidin-2-yl)di-1,2,3-benzothiadiazole-7-carboximide","","- C19 H11 N7 O2 S2 -","- C19 H11 N7 O2 S2 -","- C76 H44 N28 O8 S8 -","4","2","RZ6144","Ying-Wei Ai; Yong-Gang Zhang; Feng-Li Liu; Hai-Bin Song; Zhi-Jin Fan","<i>N</i>-(4-Methylpyrimidin-2-yl)bis(1,2,3-benzothiadiazole-7-carbonyl)amine","Acta Crystallographica Section E","2006","62","1","o101","o103","10.1107/S1600536805040183","","","0.71073","MoKα","","0.0701","0.0409","","","0.0924","0.1073","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207863","12.685","0.006","5.277","0.002","21.389","0.009","90","","100.577","0.006","90","","1407.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(4,5-Dihydro-4-phenylthiazol-2-yl)methyl]-3H-imidazo[4,5-b]pyridine","","- C16 H12 N4 S -","- C16 H12 N4 S -","- C64 H48 N16 S4 -","4","1","RZ6146","Ya-Wei Sun; Gui-Yun Duan; Jun-Zhi Liu; Li-Juan Meng; Jian-Wu Wang","2-[(4,5-Dihydro-4-phenylthiazol-2-yl)methyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2006","62","1","o1","o2","10.1107/S160053680503895X","","","0.71073","MoKα","","0.0729","0.0642","","","0.141","0.1457","","","","","","1.184","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207864","9.6551","0.0011","9.1665","0.001","17.673","0.002","90","","90","","90","","1564.1","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2-(hydroxyimino)-N-phenylacetamide","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C64 H64 N16 O16 -","8","1","RZ6147","Liu, Shaojie; Ma, Mingliang; Zhou, Hongyu; Li, Yan; Han, Ling","(<i>E</i>)-2-(Hydroxyimino)-<i>N</i>-phenylacetamide","Acta Crystallographica Section E","2006","62","1","o316","o317","10.1107/S1600536805042030","","","0.71073","MoKα","","0.0591","0.0479","","","0.1314","0.1394","","","","","","0.988","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207865","13.585","0.002","8.719","0.001","13.106","0.002","90","","118.15","0.02","90","","1368.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Chlorophenoxy)-1,5-dihydroxy-2,4,3-benzodioxaphosphepine 3-oxide","","- C14 H12 Cl O4 P -","- C14 H12 Cl O4 P -","- C56 H48 Cl4 O16 P4 -","4","1","RZ6149","J. Radha Krishna; Krishnaiah, M.; Stephen Babu,M.F.; Suresh Reddy, C.; Vedavati G. Puranik.","3-(2-Chlorophenoxy)-1,5-dihydroxy-2,4,3-benzodioxaphosphepine 3-oxide","Acta Crystallographica Section E","2006","62","1","o249","o250","10.1107/S1600536805041371","","","0.71073","MoKα","","0.0569","0.0512","","","0.1118","0.1145","","","","","","1.314","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207866","4.9124","0.0013","9.9691","0.0002","11.887","0.003","110.97","0.014","99.044","0.012","98.254","0.012","524.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","bis(α-benzylacetylacetonato)copper(II)","bis(3-benzylpentane-2,4-dionato)copper(II)","","- C24 H26 Cu O4 -","- C24 H26 Cu O4 -","- C24 H26 Cu O4 -","1","0.5","RZ6151","Nenad Judas̆; Branko Kaitner","One-dimensional self-assembly of bis(3-benzylpentane-2,4-dionato)copper(II) in the solid state mediated by weak C—H...O hydrogen bonding","Acta Crystallographica, Section E","2006","62","1","m163","m165","10.1107/S1600536805042042","","","0.71073","MoKα","","0.0333","0.0297","","","0.086","0.0879","","","","","","1.112","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207867","14.407","0.003","11.854","0.003","8.942","0.002","90","","111.142","0.003","90","","1424.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(2-azidoethyl) pyridine-2,6-dicarboxylate","","- C11 H11 N7 O4 -","- C11 H11 N7 O4 -","- C44 H44 N28 O16 -","4","0.5","RZ6152","Ping Du; Xiao-Ru Zhang; Min-Hua Xu; Shu-Sheng Zhang","Bis(2-azidoethyl) pyridine-2,6-dicarboxylate","Acta Crystallographica Section E","2006","62","1","o300","o302","10.1107/S1600536805041735","","","0.71073","MoKα","","0.0541","0.0482","","","0.1314","0.1374","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207868","8.4663","0.0015","11.236","0.003","13.955","0.003","90","","103.914","0.014","90","","1288.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-2-Acetyl-4-[(3-chlorophenyl)diazenyl]phenol","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","RZ6153","Özdemir, Gonca; Işık, Şamil; Albayrak, Çiğdem; Ağar, Erbil","(<i>E</i>)-2-Acetyl-4-[(3-chlorophenyl)diazenyl]phenol","Acta Crystallographica Section E","2006","62","1","o342","o343","10.1107/S1600536805042157","","","0.71073","MoKα","","0.0775","0.0435","","","0.1207","0.1339","","","","","","0.97","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207869","6.2983","0.0011","12.869","0.002","21.619","0.004","90","","90.96","0.004","90","","1752","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4a-Hydroxy-9-(3-nitro-phenyl)-3,4,4a,5,6,7,9,9a-octahydro-2H-xanthene-1,8-dione","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C76 H76 N4 O24 -","4","1","RZ6157","Hua, Guoping; Xu, Jianing; Jiang, Bo; Zhang, Yan; Tu, Shujiang","4a-Hydroxy-9-(3-nitrophenyl)-3,4,4a,5,6,7,9,9a-octahydro-2<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2006","62","1","o332","o333","10.1107/S1600536805042194","","","0.71073","MoKα","","0.1675","0.0583","","","0.1058","0.1383","","","","","","0.944","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207870","10.283","0.004","21.06","0.008","11.984","0.005","90","","112.38","0.005","90","","2399.8","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2-Oxido-1-naphthaldehyde oxido(4-pyridyl)methylhydrazone]diphenyltin(IV)","","- C29 H21 N3 O2 Sn -","- C29 H21 N3 O2 Sn -","- C116 H84 N12 O8 Sn4 -","4","1","SG6041","Shao-Wen Chen; Han-Dong Yin; Da-Qi Wang","[2-Oxido-1-naphthaldehyde oxido(4-pyridyl)methylhydrazone]diphenyltin(IV)","Acta Crystallographica Section E","2006","62","1","m28","m29","10.1107/S1600536805038523","","","0.71073","MoKα","","0.0555","0.0326","","","0.0701","0.0828","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207871","12.483","0.003","16.535","0.003","12.504","0.003","90","","117.451","0.003","90","","2290.3","0.9","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Methoxyphenyl)-4-[2-(2-methoxyphenylsulfanyl)benzoyl]piperazine","","- C25 H26 N2 O3 S -","- C25 H26 N2 O3 S -","- C100 H104 N8 O12 S4 -","4","1","SG6042","Li, Ai-Jun; Tao, Min-Li; Ma, Jing; Zhou, Xue-Qin; Liu, Dong-Zhi","1-(2-Methoxyphenyl)-4-[2-(2-methoxyphenylsulfanyl)benzoyl]piperazine","Acta Crystallographica Section E","2006","62","1","o158","o159","10.1107/S1600536805040845","","","0.71073","MoKα","","0.1358","0.0505","","","0.0952","0.1166","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207872","13.121","0.002","9.0063","0.0016","14.124","0.002","90","","92.365","0.006","90","","1667.6","0.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,2'-Diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')bis(glycinato-κ^2^N,O)zinc(II) dihydrate","","- C10 H18 N6 O6 S2 Zn -","- C10 H18 N6 O6 S2 Zn -","- C40 H72 N24 O24 S8 Zn4 -","4","0.5","SG6043","Bing-Xin Liu; Jian-Yong Yu; Duan-Jun Xu","(2,2'-Diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')bis(glycinato-κ^2^<i>N</i>,<i>O</i>)zinc(II) dihydrate","Acta Crystallographica Section E","2006","62","1","m67","m68","10.1107/S1600536805040857","","","0.71073","MoKα","","0.023","0.021","","","0.053","0.054","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207873","7.939","0.005","10.183","0.007","12.764","0.009","105.302","0.01","105.729","0.009","90.698","0.011","954.1","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","N'-(4-Chloro-6-methoxypyrimidin-2-yl)- N-[2-(2,4-dichlorophenoxy)propionyl]thiourea","","- C15 H13 Cl3 N4 O3 S -","- C15 H13 Cl3 N4 O3 S -","- C30 H26 Cl6 N8 O6 S2 -","2","1","SG6044","Liu, Guo-Hua; Xue, Yun-Ning; Xue, Si-Jia","<i>N</i>'-(4-Chloro-6-methoxypyrimidin-2-yl)-<i>N</i>-[2-(2,4-dichlorophenoxy)propionyl]thiourea","Acta Crystallographica Section E","2006","62","1","o133","o135","10.1107/S1600536805040869","","","0.71073","MoKα","","0.0818","0.0517","","","0.1254","0.1385","","","","","","0.924","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207874","9.1381","0.0008","17.0819","0.0014","16.0332","0.0014","90","","106.203","0.002","90","","2403.3","0.4","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Methyl-2-(2-nitrophenyloxy)-3-p-tolyl-8,9,10,11- tetrahydrobenzo[4',5']thieno[3',4':5,6]pyrido[4,3-d]pyrimidin-4(3H)-one","","- C27 H22 N4 O4 S -","- C27 H22 N4 O4 S -","- C108 H88 N16 O16 S4 -","4","1","SG6045","Chen, He-Lian; He, Hong-Wu","5-Methyl-2-(2-nitrophenyloxy)-3-<i>p</i>-tolyl-8,9,10,11-tetrahydrobenzo[4',5']thieno[3',4':5,6]pyrido[4,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","1","o195","o197","10.1107/S1600536805040870","","","0.71073","MoKα","","0.0812","0.0516","","","0.1373","0.1718","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2207875","6.318","0.003","6.318","0.003","4.583","0.005","90","","90","","120","","158.4","0.2","120","2","120","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","samarium aluminium germanium","","- Al2.65 Ge0.35 Sm -","- Al2.643 Ge0.357 Sm -","- Al5.286 Ge0.714 Sm2 -","2","0.0833333","SG6046","Xia, Sheng-Qing; Lins, Daniel; Bobev, Svilen","SmAl~2.64(4)~Ge~0.36(4)~, with the hexagonal Ni~3~Sn structure type","Acta Crystallographica Section E","2006","62","1","i10","i12","10.1107/S1600536805040882","","","0.71073","MoKα","","0.0215","0.0198","","","0.051","0.0516","","","","","","1.14","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207876","7.529","0.001","10.398","0.002","21.553","0.003","90","","90","","90","","1687.3","0.5","298","2","298","2","","","","","","","","5","A 21 a m","A -2 2a","36","","{6,6'-Dimethyl-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}cobalt(II)","","- C19 H20 Co N2 O2 -","- C19 H20 Co N2 O2 -","- C76 H80 Co4 N8 O8 -","4","0.5","SG6048","Chen, Yue","{6,6'-Dimethyl-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}cobalt(II)","Acta Crystallographica Section E","2006","62","1","m144","m145","10.1107/S1600536805041838","","","0.71073","MoKα","","0.038","0.0341","","","0.0808","0.0833","","","","","","1.069","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207877","10.84","0.002","9.74","0.001","23.596","0.003","90","","90","","90","","2491.3","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-(4-Chlorophenyl)benzenesulfonamide","","- C12 H10 Cl N O2 S -","- C12 H10 Cl N O2 S -","- C96 H80 Cl8 N8 O16 S8 -","8","1","SG6049","Perlovich, German L.; Tkachev, Valery V.; Schaper, Klaus-Jürgen; Raevsky, Oleg A.","<i>N</i>-(4-Chlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2006","62","1","o376","o378","10.1107/S1600536805041929","","","0.7107","MoKα","","0.049","0.0381","","","0.1015","0.127","","","","","","1.15","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207878","4.65","0.001","6.457","0.001","22.386","0.004","90","","90","","90","","672.1","0.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylpyrroledicarbaldehyde","1-Methylpyrrole-2,5-dicarbaldehyde","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","SG6051","Dieltiens, Pieter E.M.; Vande Velde, Christophe M.L.; Geise, Herman J.; Blockhuys, Frank","1-Methylpyrrole-2,5-dicarbaldehyde","Acta Crystallographica Section E","2006","62","1","o347","o349","10.1107/S1600536805042431","","","0.71073","MoKα","","0.0481","0.0375","","","0.0996","0.1071","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207879","10.1668","0.0003","13.8325","0.0004","17.8608","0.0004","90","","90.162","0.002","90","","2511.79","0.12","233","2","233","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro(4-methyl piperidine-1-dithiocarbamato-κ^2^S:S')(triphenylphosphine-κP)palladium(II)","","- C25 H27 Cl N P Pd S2 -","- C25 H27 Cl N P Pd S2 -","- C100 H108 Cl4 N4 P4 Pd4 S8 -","4","1","SJ6163","Shaheen, Farkhanda; Najam-Ul-Haq, Muhammad; Wurst, Klaus; Badshah, Amin; Ali, Saqib","Chloro(4-methylpiperidine-1-dithiocarbamato-κ^2^<i>S</i>:<i>S</i>')(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section E","2006","62","1","m136","m137","10.1107/S1600536805041784","","","0.71073","MoKα","","0.0331","0.0261","","","0.0581","0.0609","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207880","16.134","0.0002","9.702","0.0001","29.048","0.0004","90","","102.617","0.001","90","","4437.14","0.1","233","2","233","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chloro(pyrimidine-2-thiolato-κ^2^N,S)(triphenylphosphine-κP)palladium(II) methanol solvate","","- C22.5 H20 Cl N2 O0.5 P Pd S -","- C22.5 H18 Cl N2 O0.5 P Pd S -","- C180 H144 Cl8 N16 O4 P8 Pd8 S8 -","8","2","SJ6164","Shaheen, Farkhanda; Najam-Ul-Haq, Muhammad; Badshah, Amin; Wurst, Klaus; Ali, Saqib","Chloro(pyrimidine-2-thiolato-κ^2^<i>N</i>,<i>S</i>)(triphenylphosphine-κ<i>P</i>)palladium(II) methanol hemisolvate","Acta Crystallographica Section E","2006","62","1","m138","m140","10.1107/S1600536805041681","","","0.71073","MoKα","","0.0431","0.0326","","","0.0699","0.0736","","","","","","1.025","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207881","8.1806","0.001","11.4347","0.0011","11.9679","0.0012","108.808","0.009","107.28","0.01","101.583","0.009","955.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-4-methylpiperidine-1-dithiocarboxylato-κ^2^S:S')[bis(4- methylpiperidine-1-dithiocarboxylato-S:S')zinc(II)]","","- C28 H48 N4 S8 Zn2 -","- C28 H48 N4 S8 Zn2 -","- C28 H48 N4 S8 Zn2 -","1","0.5","SJ6165","Shaheen, Farkhanda; Gieck, Christine; Badshah, Amin","Bis(μ-4-methylpiperidine-1-dithiocarboxylato-κ^2^<i>S</i>:<i>S</i>')[bis(4-methylpiperidine-1-dithiocarboxylato-<i>S</i>:<i>S</i>')zinc(II)]","Acta Crystallographica Section E","2006","62","1","m16","m17","10.1107/S1600536805039334","","","0.71073","MoKα","","0.0701","0.0432","","","0.1097","0.1238","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207882","5.6074","0.0014","13.943","0.003","20.124","0.005","90","","90","","90","","1573.4","0.6","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-(4-Ethylbenzyl)-9H-carbazole","","- C21 H19 N -","- C21 H19 N -","- C84 H76 N4 -","4","1","SJ6166","Wang, Lei; Li, Jiang-Sheng; Zhao, Guang-Le; Huang, Peng-Mian; Zeng, Tao","9-(4-Ethylbenzyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","1","o138","o139","10.1107/S1600536805040195","","","0.71073","MoKα","","0.1107","0.0446","","","0.1023","0.129","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207883","10.5","0.011","17.763","0.018","14.757","0.015","90","","103.794","0.014","90","","2673","5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Dichlorobenzaldehyde picolinoylhydrazone","","- C13 H9 Cl2 N3 O -","- C13 H9 Cl2 N3 O -","- C104 H72 Cl16 N24 O8 -","8","2","SJ6167","Xie, Yue-Hua; Sheng, Liang-Quan; Zhu, Wei; Shao, Si-Chang","2,4-Dichlorobenzaldehyde picolinoylhydrazone","Acta Crystallographica Section E","2006","62","1","o26","o27","10.1107/S1600536805039498","","","0.71073","MoKα","","0.084","0.0422","","","0.0878","0.098","","","","","","0.856","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207884","9.766","0.002","15.935","0.004","17.428","0.004","90","","95.404","0.004","90","","2700.1","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methoxybenzaldehyde isonicotinoylhydrazone","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","2","SJ6168","Yang, Song; Zhang, Shu-Ping; Wu, Ying-Ying; Shao, Si-Chang","2-Methoxybenzaldehyde isonicotinoylhydrazone","Acta Crystallographica Section E","2006","62","1","o28","o30","10.1107/S1600536805039504","","","0.71073","MoKα","","0.2226","0.1443","","","0.2408","0.2779","","","","","","1.24","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207885","7.9137","0.0015","5.3466","0.001","29.65","0.006","90","0.003","95.415","0.003","90","0.003","1248.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-Aminophenyl)ethanone isonicotinoylhydrazone","","- C14 H14 N4 O -","- C14 H14 N4 O -","- C56 H56 N16 O4 -","4","1","SJ6169","Chen, Shui-Sheng; Zhang, Shu-Ping; Huang, Cong-Bao; Shao, Si-Chang","1-(4-Aminophenyl)ethanone isonicotinoylhydrazone","Acta Crystallographica Section E","2006","62","1","o31","o32","10.1107/S1600536805039516","","","0.71073","MoKα","","0.1131","0.1003","","","0.1779","0.1833","","","","","","1.328","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207886","8.076","0.003","10.896","0.004","11.594","0.005","107.61","0.03","97.39","0.03","111.3","0.03","872.7","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Thiaminium chloride perchlorate","Thiaminium chloride perchlorate","","- C12 H18 Cl2 N4 O5 S -","- C12 H18 Cl2 N4 O5 S -","- C24 H36 Cl4 N8 O10 S2 -","2","1","SJ6170","S. Athimoolam; R. K. Rajaram","Thiaminium chloride perchlorate","Acta Crystallographica Section E","2006","62","1","o202","o204","10.1107/S1600536805039358","","","0.71073","MoKα","","0.0426","0.0289","","","0.0758","0.0819","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207887","6.0049","0.0004","14.6876","0.0005","11.8412","0.0007","90","","99.19","0.002","90","","1030.96","0.1","150","1","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","7-Acetyl-12-methoxy horminone","7-acetyl-12-methoxyabiet-8,12-diene-11,14-dione","","- C23 H32 O5 -","- C23 H32 O5 -","- C46 H64 O10 -","2","1","SJ6171","Bakir, Mohammed; Biggs, Duanne A. C.; Alan Lough; Mulder, Willem H.; William Reynolds; Porter, Roy B.","7-Acetyl-12-methoxyhorminone from Jamaican <i>Hyptis verticillata</i> (Labiatae)","Acta Crystallographica Section E","2006","62","1","o306","o308","10.1107/S1600536805039693","","","0.71073","MoKα","","0.0565","0.0401","","","0.0893","0.0986","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207888","20.9933","0.0003","24.7385","0.0005","17.6893","0.0003","90","","120.469","0.001","90","","7918.1","0.3","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(μ~2~-2,6-diformyl-4-methylphenolato)tetra-μ~3~-hydroxo- tetrakis[diaquaneodymium(III)] tetrakis(perchlorate) ethanol disolvate","","- C40 H60 Cl4 Nd4 O42 -","- C36 H48 Cl4 Nd4 O40 -","- C144 H192 Cl16 Nd16 O160 -","4","0.5","SJ6172","Singh-Wilmot, Marvadeen A.; Kahwa, Ishenkumba A.; Lough, Alan J.","Tetrakis(μ~2~-2,6-diformyl-4-methylphenolato)tetra-μ~3~-hydroxo-tetrakis[diaquaneodymium(III)] tetrakis(perchlorate) ethanol disolvate","Acta Crystallographica Section E","2006","62","1","m113","m115","10.1107/S1600536805041139","","","0.71073","MoKα","","0.0507","0.0431","","","0.1177","0.1223","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207889","14.244","0.001","5.1664","0.0006","11.3736","0.0008","90","","117.684","0.009","90","","741.17","0.13","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Br2 O4 -","- C4 H4 Br2 O4 -","- C16 H16 Br8 O16 -","4","0.5","SJ6173","Margareta Eriksson; Andreas Fischer; Johan Lind; Åsa Zazzi","(<i>R</i><i>S</i>)-2,3-Dibromosuccinic acid","Acta Crystallographica Section E","2006","62","1","o200","o201","10.1107/S1600536805040493","","","0.71073","MoKα","","0.0597","0.0445","","","0.0935","0.1016","","","","","","1.076","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207890","8.623","0.002","8.249","0.002","13.075","0.003","90","","90","","90","","930","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-mercapto-1,3,4-thiadiazole","1,3,4-Thiadiazolium-2-thiolate","","- C2 H2 N2 S2 -","- C2 H2 N2 S2 -","- C16 H16 N16 S16 -","8","1","SJ6174","Pu-Zhou Hu; Jian-Ge Wang; Lu-Fang Ma; Bang-Tun Zhao; Li-Ya Wang","1,3,4-Thiadiazolium-2-thiolate","Acta Crystallographica Section E","2006","62","1","o350","o351","10.1107/S1600536805042388","","","0.71073","MoKα","","0.0225","0.0211","","","0.0541","0.0556","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207891","16.164","0.002","7.0063","0.0009","17.627","0.002","90","","113.685","0.002","90","","1828.1","0.4","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Diethylamino-3-(3-methylphenyl)-1-benzofuro[3,2-d]pyrimidin-4(3H)-one","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","1","SJ6175","Ming-Guo Liu; Ju-Zhen Yuan; Yang-Gen Hu; Sheng-Zhen Xu","2-Diethylamino-3-(3-methylphenyl)-1-benzofuro[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","1","o147","o149","10.1107/S1600536805040377","","","0.71073","MoKα","","0.1148","0.0595","","","0.1265","0.1448","","","","","","0.944","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207892","7.5445","0.0011","8.6792","0.0013","31.229","0.005","90","","90","","90","","2044.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl)thiosemicarbazide","","- C15 H23 N3 O9 S -","- C15 H23 N3 O9 S -","- C60 H92 N12 O36 S4 -","4","1","SJ6177","Bo Yang; Hui-Xiang Li; Shu-Sheng Zhang; Xue-Mei Li","4-(2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosyl)thiosemicarbazide","Acta Crystallographica Section E","2006","62","1","o121","o122","10.1107/S1600536805040365","","","0.71073","MoKα","","0.0563","0.0465","","","0.12","0.127","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207894","5.6949","0.0005","11.1309","0.001","12.3085","0.0011","112.539","0.002","90.278","0.002","100.16","0.002","707.08","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(4aSR,7SR,9aSR)-7-tert-Butyl-9a-methyl-5,5-dioxo-1,2,4a,9a-tetrahydro-8-oxa- 5λ^6^-thiabenzocycloheptan-9-one","","- C14 H22 O4 S -","- C14 H22 O4 S -","- C28 H44 O8 S2 -","2","1","SJ6181","Zeller, Matthias; Hunter, Allen D.; Sampson, Paul; Chumachenko, Nataliya","(4a<i>SR</i>,7<i>SR</i>,9a<i>SR</i>)-7-<i>tert</i>-Butyl-9a-methyl-5,5-dioxo-1,2,4a,9a-tetrahydro-8-oxa-5λ^6^-thiabenzocycloheptan-9-one","Acta Crystallographica Section E","2006","62","1","o368","o369","10.1107/S1600536805041140","","","0.71073","MoKα","","0.0509","0.0485","","","0.1176","0.1192","","","","","","1.157","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207895","11.8554","0.0008","5.6653","0.0004","20.2326","0.0014","90","","92.681","0.001","90","","1357.42","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4aSR,7SR,9aSR)-7-tert-Butyl-5,5-dioxo-1,2,4a,9a-tetrahydro-8-oxa- 5λ^6^-thiabenzocycloheptan-9-one","","- C13 H20 O4 S -","- C13 H20 O4 S -","- C52 H80 O16 S4 -","4","1","SJ6182","Zeller, Matthias; Hunter, Allen D.; Sampson, Paul; Chumachenko, Nataliya","(4a<i>SR</i>,7<i>SR</i>,9a<i>SR</i>)-7-<i>tert</i>-Butyl-5,5-dioxo-1,2,4a,9a-tetrahydro-8-oxa-5λ^6^-thiabenzocycloheptan-9-one","Acta Crystallographica Section E","2006","62","1","o370","o371","10.1107/S1600536805041152","","","0.71073","MoKα","","0.039","0.0383","","","0.1013","0.1019","","","","","","1.148","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207896","36.813","0.003","10.2263","0.0008","11.9059","0.0009","90","","99.469","0.001","90","","4421","0.6","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(η^5^-Cyclopentadienyl)[η^5^-1- (diphenylphosphino)cyclopentadienyl]cobalt(III) hexafluorophosphate","","- C22 H19 Co F6 P2 -","- C22 H19 Co F6 P2 -","- C176 H152 Co8 F48 P16 -","8","1","SJ6183","Ren Yong; Yu Guang-Ao; Liu Sheng-Hua","(η^5^-Cyclopentadienyl)[η^5^-1-(diphenylphosphino)cyclopentadienyl]cobalt(III) hexafluorophosphate","Acta Crystallographica Section E","2006","62","1","m151","m152","10.1107/S160053680504167X","","","0.71073","MoKα","","0.0599","0.0463","","","0.1227","0.1292","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207897","7.8154","0.0015","12.963","0.003","11.669","0.002","90","","99.66","0.003","90","","1165.4","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethyl (2-hydroxy-4-nitrobenzyl)phosphonate","","- C9 H12 N O6 P -","- C9 H12 N O6 P -","- C36 H48 N4 O24 P4 -","4","1","SJ6184","Xiang Li; Ming Lu; Chunbao Li","Dimethyl (2-hydroxy-4-nitrobenzyl)phosphonate","Acta Crystallographica Section E","2006","62","1","o354","o355","10.1107/S1600536805042340","","","0.71073","MoKα","","0.0663","0.0401","","","0.1167","0.1519","","","","","","0.706","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207898","8.559","0.002","5.178","0.001","16.387","0.003","90","","97.891","0.002","90","","719.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(pyridinium-4-olate) succinic acid","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","0.5","SJ6188","Yang, De-Suo","Bis(pyridinium-4-olate) succinic acid","Acta Crystallographica Section E","2006","62","1","o352","o353","10.1107/S1600536805042352","","","0.71073","MoKα","","0.0803","0.0657","","","0.1825","0.1975","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207899","6.7311","0.0013","7.791","0.0015","18.107","0.004","98.2","0.003","92.649","0.004","109.9","0.003","879.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-(2-Fluoro-5-methylphenyl)-2-oxo-1-(1H-1,2,4-triazol-1-yl)ethyl morpholine-4-carbodithioate","","- C16 H17 F N4 O2 S2 -","- C16 H17 F N4 O2 S2 -","- C32 H34 F2 N8 O4 S4 -","2","1","SJ6189","Shu-Sheng Zhang; Jun Wan; Chun-Li Li; Xue-Mei Li; Ping-Kai Ouyang","2-(2-Fluoro-5-methylphenyl)-2-oxo-1-(1<i>H</i>-1,2,4-triazol-1-yl)ethyl morpholine-4-carbodithioate","Acta Crystallographica Section E","2006","62","1","o358","o359","10.1107/S1600536805042029","","","0.71073","MoKα","","0.0756","0.0545","","","0.1244","0.1383","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207900","16.296","0.002","7.5708","0.0007","18.537","0.003","90","","115.42","0.02","90","","2065.6","0.6","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(1-methyl-5-[3-(1-methyl-1H-tetrazolo[5,1-a]isoindol-5-yl)allylidene]-5H- tetrazolo[5,1-a]isoindol-1-ium) tetracyanonickel(II)","","- C46 H34 N20 Ni -","- C46 H34 N20 Ni -","- C92 H68 N40 Ni2 -","2","0.5","SU6242","Zoya V. Voitenko; Tatyana V. Yegorova; Igor V. Zatovsky; J. Jaud; J. G. Wolf","Bis{1-methyl-5-[3-(1-methyl-1<i>H</i>-tetrazolo[5,1-<i>a</i>]isoindol-5-yl)allylidene]-5<i>H</i>-tetrazolo[5,1-<i>a</i>]isoindol-1-ium} tetracyanonickelate(II)","Acta Crystallographica Section E","2006","62","1","m103","m105","10.1107/S1600536805039656","","","0.71073","MoKα","","","0.0974","","","","0.1764","","","","","","1.327","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207901","9.329","0.0019","11.997","0.002","13.169","0.003","65.2","0.03","82.81","0.03","80.64","0.03","1317.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(1,4-Diazacycloheptane-κ^2^N,N')(2-thioxo-1,3-dithiole-4,5-dithiolato- κ^2^S^4^,S^5^)nickel(II)","","- C8 H12 N2 Ni S5 -","- C8 H12 N2 Ni S5 -","- C32 H48 N8 Ni4 S20 -","4","2","SU6245","Yi-Hang Wen; Qi-Wei Zhang","(1,4-Diazacycloheptane-κ^2^<i>N</i>,<i>N</i>')(2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickel(II)","Acta Crystallographica Section E","2006","62","1","m42","m44","10.1107/S1600536805039632","","","0.71073","MoKα","","","0.0265","","","0.0585","0.0743","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207902","4.593","0.002","15.95","0.009","18.795","0.01","90","","90.656","0.009","90","","1376.8","1.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C52 H68 N4 O16 -","4","1","SU6246","Cui, Jian-Zhong; Zhang, Hong; Zhang, Dan; Wang, Hai-Tao; Gao, Hong-Ling","Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","1","o24","o25","10.1107/S1600536805039590","","","0.71073","MoKα","","0.1259","0.0485","","","0.1154","0.1551","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207903","11.318","0.005","12.461","0.005","14.71","0.006","104.177","0.007","103.851","0.007","105.822","0.007","1828","1.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","Bis[μ-bis(diphenylphosphino)methane-κ^2^P:P']bis[(1,10-phenanthroline- κ^2^N,N')copper(I)] bis(tetrafluoroborate) dichloromethane disolvate","","- C76 H64 B2 Cl4 Cu2 F8 N4 P4 -","- C76 H64 B2 Cl4 Cu2 F8 N4 P4 -","- C76 H64 B2 Cl4 Cu2 F8 N4 P4 -","1","0.5","SU6247","Huan-Yu Liu; Fen-Ying Wang; Guo-Yong Wang; Chang-Gan Huang; Da-Yong Peng","Bis[μ-bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I)] bis(tetrafluoroborate) dichloromethane disolvate","Acta Crystallographica Section E","2006","62","1","m111","m112","10.1107/S1600536805038778","","","0.71073","MoKα","","0.1459","0.077","","","0.1627","0.1965","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207904","23.314","0.0006","23.314","0.0006","7.7925","0.0004","90","","90","","90","","4235.6","0.3","292","2","292","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","5-Benzylamino-6-phenyl-2-propylsulfanylthiazolo[5,4-d]pyrimidin-7(6H)-one","","- C21 H20 N4 O S2 -","- C21 H20 N4 O S2 -","- C168 H160 N32 O8 S16 -","8","1","SU6249","Nian-Yu Huang; Ju-Zhen Yuan; Rui-Jun Xu; Ming-Wu Ding; Hongwu He","5-Benzylamino-6-phenyl-2-propylsulfanylthiazolo[5,4-<i>d</i>]pyrimidin-7(6<i>H</i>)-one","Acta Crystallographica Section E","2006","62","1","o88","o90","10.1107/S1600536805039929","","","0.71073","MoKα","","0.1213","0.0659","","","0.1543","0.1825","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207905","5.1724","0.0006","8.8183","0.0012","12.481","0.003","96.193","0.017","99.853","0.013","102.106","0.013","542.27","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","L-Histidinium trifluoroacetate","L-Histidinium trifluoroacetate","","- C8 H10 F3 N3 O4 -","- C8 H10 F3 N3 O4 -","- C16 H20 F6 N6 O8 -","2","2","SU6250","Srinivasan Gokul Raj; Gubendiran Ramesh Kumar; Rajagopal Mohan; Ramasamy Jayavel","<small>L</small>-Histidinium trifluoroacetate","Acta Crystallographica Section E","2006","62","1","o5","o7","10.1107/S1600536805038791","","","1.5418","CuKα","","0.0386","0.0384","","","0.1074","0.1076","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207906","7.052","0.001","16.688","0.002","13.775","0.002","90","","94.79","0.01","90","","1615.4","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{4-Bromo-2-[(2-diethylaminoethylimino)methyl]phenolato}thiocyanatocopper(II)","","- C14 H18 Br Cu N3 O S -","- C14 H18 Br Cu N3 O S -","- C56 H72 Br4 Cu4 N12 O4 S4 -","4","1","SU6253","You, Zhong-Lu","{4-Bromo-2-[(2-diethylaminoethylimino)methyl]phenolato}thiocyanatocopper(II)","Acta Crystallographica Section E","2006","62","1","m45","m46","10.1107/S1600536805040249","","","0.71073","MoKα","","0.051","0.036","","","0.0848","0.0913","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207907","19.172","0.002","6.764","0.001","11.334","0.001","90","","90","","90","","1469.8","0.3","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","{4-Chloro-2-[(2-dimethylaminoethylimino)methyl]phenolato}thiocyanatocopper(II)","","- C12 H14 Cl Cu N3 O S -","- C12 H14 Cl Cu N3 O S -","- C48 H56 Cl4 Cu4 N12 O4 S4 -","4","0.5","SU6254","You, Zhong-Lu","{4-Chloro-2-[(2-dimethylaminoethylimino)methyl]phenolato}thiocyanatocopper(II)","Acta Crystallographica Section E","2006","62","1","m47","m48","10.1107/S1600536805040250","","","0.71073","MoKα","","0.0414","0.0349","","","0.0949","0.0996","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207908","14.166","0.002","12.9093","0.0014","27.669","0.005","90","","90","","90","","5059.9","1.3","161","2","161","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-[2-(Hydroxymethyl)phenyl]-N,N-dimethylpent-4-ynamide","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C224 H272 N16 O32 -","16","4","SU6255","Bats, Jan W.; Schäfer, Sascha; Hashmi, A. Stephen K.","5-[2-(Hydroxymethyl)phenyl]-<i>N</i>,<i>N</i>-dimethylpent-4-ynamide","Acta Crystallographica Section E","2006","62","1","o179","o181","10.1107/S1600536805040833","","","0.71073","MoKα","","0.0726","0.0426","","","0.0815","0.0884","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207909","7.3068","0.0006","9.2879","0.0007","9.7233","0.0008","94.621","0.001","110.496","0.001","109.477","0.001","568","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(imidazolium) di-μ-pyrazole-3,5-dicarboxylato(3-)-bis[diaquazinc(II)]","","- C16 H20 N8 O12 Zn2 -","- C16 H20 N8 O12 Zn2 -","- C16 H20 N8 O12 Zn2 -","1","0.5","SU6256","Jing-Feng Zhang; Xin-Hua Li","Bis(imidazolium) di-μ-pyrazole-3,5-dicarboxylato(3‒)-bis[diaquazinc(II)]","Acta Crystallographica Section E","2006","62","1","m125","m127","10.1107/S1600536805041437","","","0.71073","MoKα","","0.028","0.0273","","","0.0708","0.0713","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207910","7.3668","0.0002","11.5842","0.0003","14.57","0.0004","111.692","0.002","99.52","0.002","93.076","0.002","1130.44","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-({6-amino-2-(benzylsulfanyl)-5-[2-(ethoxycarbonyl)prop-2-enyl]pyrimidin- 4-yloxy}methyl)acrylate","","- C23 H27 N3 O5 S -","- C23 H27 N3 O5 S -","- C46 H54 N6 O10 S2 -","2","1","SU6257","Gibson, Colin L.; Huggan, Judith K.; Kennedy, Alan R.; Suckling, Colin J.","Ethyl 2-({6-amino-2-(benzylsulfanyl)-5-[2-(ethoxycarbonyl)prop-2-enyl]pyrimidin-4-yloxy}methyl)acrylate","Acta Crystallographica Section E","2006","62","1","o324","o326","10.1107/S1600536805041899","","","0.71073","MoKα","","0.0684","0.0402","","","0.0811","0.0911","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207911","10.765","0.001","11.135","0.001","12.41","0.001","113.698","0.001","104.064","0.001","95.105","0.001","1291.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Co N4 O6 -","- C26 H30 Co N4 O6 -","- C52 H60 Co2 N8 O12 -","2","1","SU6260","Chen, Yue","Bis[2-(cyclohexyliminomethyl)-4-nitrophenolato]cobalt(II)","Acta Crystallographica Section E","2006","62","1","m153","m154","10.1107/S1600536805042182","","","0.71073","MoKα","","0.0454","0.0381","","","0.0994","0.1039","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207912","5.1476","0.0006","15.3139","0.0018","21.653","0.003","90","","91.365","0.01","90","","1706.4","0.4","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C88 H68 N4 O12 -","4","1","SU6261","Daran, Jean-Claude; Fihi, Rachid; Roussel, Christophe; Laghrib, Naoual; Azrour, Mohamed; Ciamala, Kabula; Vebreld, Jöel","2,3-Diphenyl-2,3-dihydrospiro[1,3-oxazole-5(4<i>H</i>),1'(3'<i>H</i>)-2-benzofuran]-3'-one","Acta Crystallographica Section E","2006","62","1","o329","o331","10.1107/S1600536805042169","","","0.71073","MoKα","","0.0718","0.0479","","","0.1144","0.1273","","","","","","0.932","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207913","10.8449","0.0011","15.2308","0.0016","26.77","0.002","90","","97.9","0.008","90","","4379.8","0.7","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trans-bis(α-benzyldibenzoylmethanato)di(pyridine)nickel(II)","trans-bis(2-benzyl-1,3-diphenylpropane-1,3-dionato)dipyridinenickel(II)","","- C54 H44 N2 Ni O4 -","- C54 H44 N2 Ni O4 -","- C216 H176 N8 Ni4 O16 -","4","1","TK6292","Nenad Judas̆; Branko Kaitner","Weak intermolecular hydrogen bonding in the pyridine adduct of a nickel(II) complex with a sterically demanding β-diketonate ligand","Acta Crystallographica Section E","2006","62","1","m58","m60","10.1107/S1600536805040043","","","0.71073","MoKα","","","0.07","","","","0.159","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207914","7.1407","0.001","24.864","0.003","9.4733","0.0013","90","","96.7","0.002","90","","1670.5","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(4-Methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C76 H76 N12 O8 -","4","1","TK6294","Jing, Zuo-Liang; Guo, Min-Jie; Chen, Xin; Yu Ming","4-[(4-Methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","1","o313","o315","10.1107/S1600536805041863","","","0.71073","MoKα","","0.07","0.042","","","0.108","0.12","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207915","6.3179","0.0017","8.0901","0.0016","10.88","0.002","73.8","0.2","100.311","0.019","109.285","0.016","501.7","0.5","295","2","295","2","","","","","","","","3","P 1","P 1","1","","Ethyl 3β-hydroxypregna-5,17(20)-dien-21-oate","","- C23 H34 O3 -","- C23 H34 O3 -","- C23 H34 O3 -","1","1","TK6295","Sabina Quader; Sue E. Boyd; Todd A Houston; Ian D. Jenkins; Peter C. Healy","Ethyl 3β-hydroxypregna-5,17(20)-dien-21-oate","Acta Crystallographica Section E","2006","62","1","o162","o164","10.1107/S1600536805040912","","","0.7107","MoKα","","0.053","0.041","","","0.103","0.111","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207916","9.006","0.003","15.324","0.006","25.424","0.011","90","","90","","90","","3509","2","88","2","88","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1D-1,2-diazido-1,2-dideoxy-3,4,5,6-tetra-O-benzyl-myo-inositol diethyl ether 0.6-solvate","","- C39.412 H34 N6 O4 -","- C39.412 H34 N6 O4 -","- C157.648 H136 N24 O16 -","4","1","TK6297","Gainsford, Graeme J.; Lensink, Cornelis; Falshaw, Andrew; Mee, Simon P.H.","Non-classical hydrogen bonding involving bound diazides in an inositol derivative","Acta Crystallographica Section E","2006","62","1","o303","o305","10.1107/S1600536805041486","","","0.71073","MoKα","","0.33","0.053","","","0.08","0.127","","","","","","0.77","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207917","18.3264","0.0005","13.3022","0.0005","15.7673","0.0006","90","","119.132","0.0016","90","","3357.5","0.2","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2-(4-methoxybenzylidene)-5-hydroxy-6,7-dimethoxytetral-1-one","5-Hydroxy-6,7-dimethoxy-2-[(E)-1-(4-methoxyphenyl)methylidene]-3,4-dihydro- 2H-napthalen-1-one 2-(4-methoxybenzylidene)-5-hydroxy-6,7-dimethoxytetral-1-one","","- C20 H20 O5 -","- C20 H20 O5 -","- C160 H160 O40 -","8","1","WK6071","Turner, Alan B.; Harrison, William T. A.","5-Hydroxy-6,7-dimethoxy-2-[(<i>E</i>)-1-(4-methoxyphenyl)methylidene]-3,4-dihydro-2<i>H</i>-napthalen-1-one","Acta Crystallographica Section E","2006","62","1","o386","o387","10.1107/S1600536805041097","","","0.71073","MoKα","","0.0553","0.0447","","","0.1083","0.1139","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207918","8.7728","0.0018","10.923","0.002","11.114","0.002","65.18","0.03","73.12","0.03","70.64","0.03","897.6","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- H40 N2 Ni2 O44 V10 -","- H40 N2 Ni2 O44 V10 -","- H40 N2 Ni2 O44 V10 -","1","0.5","WM6112","Ai-Li Xie; Chun-An Ma; Lian-Bang Wang","Diammonium bis[hexaaquanickel(II)] decavanadate tetrahydrate, (NH~4~)~2~[Ni(H~2~O)~6~]~2~V~10~O~28~·4H~2~O","Acta Crystallographica Section E","2006","62","1","i1","i3","10.1107/S160053680503922X","","","0.71073","MoKα","","0.0293","0.0239","","","0.0536","0.0598","","","","","","1.085","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207919","10.644","0.005","14.685","0.006","7.384","0.003","90","","90","","90","","1154.2","0.9","293","","293","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Trigadolinium ruthenium heptaoxide","","- Gd3 O7 Ru -","- Gd3 O7 Ru -","- Gd24 O56 Ru8 -","8","2","WM6116","Nobuo Ishizawa; Keishi Hiraga; Douglas du Boulay; Hisashi Hibino; Takashi Ida; Shuji Oishi","A non-centrosymmetric polymorph of Gd~3~RuO~7~","Acta Crystallographica Section E","2006","62","1","i13","i16","10.1107/S1600536805040973","","","0.71073","MoKα","","0.082","0.047","","0.038","","0.035","","","2.384","","","2.706","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207920","5.5117","0.0013","5.5117","0.0013","8.989","0.004","90","","90","","120","","236.49","0.13","120","2","120","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ytterbium hexamanganese hexastannide","","- Mn6 Sn6 Yb -","- Mn6 Sn6 Yb -","- Mn6 Sn6 Yb -","1","0.0416667","WM6118","Xia, Sheng-Qing; Bobev, Svilen","YbMn~6~Sn~6~","Acta Crystallographica Section E","2006","62","1","i7","i9","10.1107/S1600536805040006","","","0.71073","MoKα","","0.0551","0.0413","","","0.0868","0.0914","","","","","","1.507","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207922","5.7404","0.0008","7.6452","0.001","11.4655","0.0015","106.428","0.002","98.399","0.002","101.504","0.002","461.84","0.11","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","Hexaaquacopper(II) dinitrate","","- Cu H12 N2 O12 -","- Cu H12 N2 O12 -","- Cu2 H24 N4 O24 -","2","1","WM6123","Zibaseresht, Ramin; Hartshorn, Richard M.","Hexaaquacopper(II) dinitrate: absence of Jahn‒Teller distortion","Acta Crystallographica Section E","2006","62","1","i19","i22","10.1107/S1600536805041851","","","0.71073","MoKα","","0.035","0.0343","","","0.0952","0.0957","","","","","","0.907","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207923","3.9423","0.0009","16.502","0.003","3.9319","0.0009","90","","90","","90","","255.79","0.09","295","2","295","2","","","","","","","","3","C m c m","-C 2c 2","63","Erbium nickel disilicide","Erbium nickel disilicide","","- Er Ni Si2 -","- Er Ni Si2 -","- Er4 Ni4 Si8 -","4","0.25","WM6126","Kończyk, J.; Demchenko, P.; Matvijishyn, R.; Pavlyuk, V.; Marciniak, B.","Erbium nickel disilicide, ErNiSi~2~","Acta Crystallographica Section E","2006","62","1","i4","i6","10.1107/S1600536805040262","","","0.71073","MoKα","","0.0254","0.0252","","","0.0573","0.0574","","","","","","1.329","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207924","7.589","0.002","23.491","0.007","8.929","0.002","90","","96.287","0.005","90","","1582.2","0.7","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-1-(4-Ethoxy-3-methoxybenzylidene)-2-(4-nitrophenyl)hydrazine","","- C16 H17 N3 O4 -","- C16 H17 N3 O4 -","- C64 H68 N12 O16 -","4","2","WN2002","Shi, Jun","(<i>E</i>)-1-(4-Ethoxy-3-methoxybenzylidene)-2-(4-nitrophenyl)hydrazine","Acta Crystallographica Section E","2006","62","1","o171","o173","10.1107/S1600536805039097","","","0.71073","MoKα","","0.097","0.0512","","","0.1234","0.1456","","","","","","1.138","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207925","10.282","0.002","12.775","0.003","15.601","0.003","66.313","0.004","82.711","0.004","68.295","0.004","1743","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","4,6,12,14-Tetra-tert-butyl-17-N-(6-methylpyridin-2-yl)-8,16-dioxa-17- azatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadeca-2,4,6,10,12,14-hexaene methanol solvate","","- C37 H52 N2 O3 -","- C37 H52 N2 O3 -","- C74 H104 N4 O6 -","2","1","WN6397","Xu, Li; Kim, Youngmee; Qi, Xin; Kim, Sung-Jin","4,6,12,14-Tetra-<i>tert</i>-butyl-17-<i>N</i>-(6-methylpyridin-2-yl)-8,16-dioxa-17-azatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadeca-2,4,6,10,12,14-hexaene methanol solvate","Acta Crystallographica Section E","2006","62","1","o243","o245","10.1107/S1600536805041383","","","0.71073","MoKα","","0.1365","0.0444","","","0.0724","0.0818","","","","","","0.616","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207926","7.886","0.0003","12.427","0.003","14.752","0.003","90.62","0.03","94.24","0.03","101.25","0.03","1413.6","0.5","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","dibenzyl 2,2'-(propane-1,3-diyldiimino)bis(cyclopent-1-ene-1-carbodithioate)","","- C29 H34 N2 S4 -","- C29 H34 N2 S4 -","- C58 H68 N4 S8 -","2","1","WN6402","Ricardo R. Contreras; Bernardo Fontal; Isolda Romero; Reinaldo Atencio; Alexander Briceño","Intramolecular hydrogen bonding in dibenzyl 2,2'-(propane-1,3-diyldiimino)bis(cyclopent-1-ene-1-carbodithioate)","Acta Crystallographica Section E","2006","62","1","o205","o208","10.1107/S1600536805040353","","","0.71073","MoKα","","0.0789","0.0413","","","0.0867","0.1027","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207927","14.022","0.0008","16.1568","0.0008","8.4157","0.0004","90","","104.423","0.004","90","","1846.49","0.17","100","0.1","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","macluraxanthone","12-(1,1-Dimethyl-2-propenyl)-5,9,10-trihydroxy-2,2-dimethyl-2H,6H- pyrano[3,2-b]xanthen-6-one","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","WN6404","Hoong-Kun Fun; Shea-Lin Ng; Ibrahim Abdul Razak; Nawong Boonnak; Suchada Chantrapromma","12-(1,1-Dimethyl-2-propenyl)-5,9,10-trihydroxy-2,2-dimethyl-2<i>H</i>,6<i>H</i>-pyrano[3,2-<i>b</i>]xanthen-6-one","Acta Crystallographica Section E","2006","62","1","o130","o132","10.1107/S1600536805040328","","","0.71073","MoKα","","0.0965","0.0552","","","0.1245","0.1453","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207928","13.426","0.003","5.9078","0.0011","23.142","0.004","90","","100.051","0.003","90","","1807.4","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-ethoxycarbonyl-1-phenyl-1H-pyrazol-5-yl 4-chlorobenzoate","","- C19 H15 Cl N2 O4 -","- C19 H15 Cl N2 O4 -","- C76 H60 Cl4 N8 O16 -","4","1","WN6407","Duan, Xue-Min; Fan, Mei-Lian; Zheng, Peng-Wu; Li, Jiang-Sheng; Huang, Peng-Mian","3-Ethoxycarbonyl-1-phenyl-1<i>H</i>-pyrazol-5-yl 4-chlorobenzoate","Acta Crystallographica Section E","2006","62","1","o311","o312","10.1107/S1600536805041954","","","0.71073","MoKα","","0.1406","0.0458","","","0.0968","0.1313","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207929","9.705","0.001","10.0821","0.0009","10.746","0.001","115.284","0.008","102.13","0.01","91.61","0.01","921.21","0.17","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","5-Hydroxy-4-(4-methylbenzoyl)-1,3-diphenyl-1H-pyrazole","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C46 H36 N4 O4 -","2","1","WW6392","Liu, Guang-Fei; Peng, Bang-Hua; Liu, Lang; Jia, Dian-Zeng; Yu, Kai-Bei","5-Hydroxy-4-(4-methylbenzoyl)-1,3-diphenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2006","62","1","o37","o38","10.1107/S1600536805039401","","","0.71073","MoKα","","0.0567","0.0365","","","0.0911","0.0957","","","","","","0.971","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207930","31.766","0.014","9.8281","0.0013","14.2746","0.0016","90","","103.018","0.016","90","","4342","2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[diaquacalcium(II)]bis[μ-2-(pyridinium-1-yl)butanedioato- κO^1^:O^4^]] 2.5-hydrate]","","- C18 H25 Ca N2 O12.5 -","- C18 H25 Ca N2 O12.5 -","- C144 H200 Ca8 N16 O100 -","8","1","WW6432","Tian, Dong-Kui; Li, Song-Lin; Hou, Jian-Feng","<i>catena</i>-Poly[[[diaquacalcium(II)]bis[μ-2-(pyridinium-1-yl)butanedioato-κ<i>O</i>^1^:<i>O</i>^4^]] 2.5-hydrate]","Acta Crystallographica Section E","2006","62","1","m130","m132","10.1107/S160053680504122X","","","0.71073","MoKα","","0.08","0.0561","","","0.133","0.1444","","","","","","1.129","","","","has coordinates,has Fobs","194583","2020-10-21","18:00:00",""
"2207931","13.811","0.007","5.855","0.002","38.55","0.015","90","","90","","90","","3117","2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-di-4-pyridyl-1,3,4-oxadiazole‒hydroquinone (1/1)","","- C18 H14 N4 O3 -","- C18 H14 N4 O3 -","- C144 H112 N32 O24 -","8","1","WW6442","Wang, Yong-Tao; Tang, Gui-Mei; Qin, Da-Wei; Duan, Hong-Dong","1:1 Cocrystal of 2,5-di-4-pyridyl-1,3,4-oxadiazole and hydroquinone","Acta Crystallographica Section E","2006","62","1","o45","o46","10.1107/S1600536805040018","","","0.71073","MoKα","","0.0817","0.0636","","","0.1237","0.1333","","","","","","1.202","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207932","5.4807","0.0005","38.653","0.005","8.953","0.001","90","","103.47","0.009","90","","1844.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4'-[4-(Imidazol-1-yl)phenyl]-2,2':6',2''-terpyridine","","- C24 H17 N5 -","- C24 H17 N5 -","- C96 H68 N20 -","4","1","WW6443","Wang, Cai Xia; Li, Lin; Yu, Wen Tao; Yang, Jia Xiang; Wu, Jie Ying","4'-[4-(Imidazol-1-yl)phenyl]-2,2':6',2''-terpyridine (IPTP)","Acta Crystallographica Section E","2006","62","1","o246","o248","10.1107/S1600536805041000","","","0.71073","MoKα","","0.1285","0.0511","","","0.1122","0.1561","","","","","","0.934","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207933","7.763","0.004","11.207","0.005","13.631","0.007","82.499","0.008","82.269","0.008","75.662","0.008","1132.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Cyano-3-fluorophenyl (2E)-3-(4-heptyloxy-3-methoxyphenyl)acrylate","","- C24 H26 F N O4 -","- C24 H26 F N O4 -","- C48 H52 F2 N2 O8 -","2","1","WW6445","Ren, Rui; Zhang, Shu-Sheng; Li, Qiang; Li, Xue-Mei; Song, Xiu-Yan","4-Cyano-3-fluorophenyl (2<i>E</i>)-3-(4-heptyloxy-3-methoxyphenyl)acrylate","Acta Crystallographica Section E","2006","62","1","o160","o161","10.1107/S1600536805040961","","","0.71073","MoKα","","0.0753","0.0573","","","0.1481","0.1598","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207934","20.373","0.003","20.373","0.003","8.618","0.002","90","","90","","90","","3577","1.1","292","2","292","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","7-(Hydroxymethyl)-1a,7b-dihydro-1H-cyclopropa[a]naphthalene","","- C12 H12 O -","- C12 H12 O -","- C192 H192 O16 -","16","1","WW6448","Gu, Shao-Jin; Jing, Lin-Hai; Zhang, Huan-Xia; Lei, Gang; Qin, Da-Bin","7-(Hydroxymethyl)-1a,7b-dihydro-1<i>H</i>-cyclopropa[<i>a</i>]naphthalene","Acta Crystallographica Section E","2006","62","1","o286","o287","10.1107/S1600536805039450","","","0.71073","MoKα","","0.1822","0.0582","","","0.1342","0.1678","","","","","","0.922","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207935","6.434","0.002","9.212","0.003","13.715","0.004","73.202","0.005","85.533","0.005","89.33","0.005","775.8","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2,2-Bis(hydroxymethyl)propane-1,3-diyl bis(1H-pyrrole-2-carboxylate)","","- C15 H18 N2 O6 -","- C15 H18 N2 O6 -","- C30 H36 N4 O12 -","2","1","WW6449","Wang, Jian-Ying; Yin, Zhen-Ming","2,2-Bis(hydroxymethyl)propane-1,3-diyl bis(1<i>H</i>-pyrrole-2-carboxylate)","Acta Crystallographica Section E","2006","62","1","o230","o232","10.1107/S1600536805039486","","","0.71073","MoKα","","0.0783","0.0406","","","0.0844","0.0993","","","","","","1.017","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207936","4.7307","0.0015","17.067","0.005","9.634","0.003","90","","92.871","0.005","90","","776.9","0.4","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(4-Fluorophenyl)acetamide","","- C8 H8 F N O -","- C8 H8 F N O -","- C32 H32 F4 N4 O4 -","4","1","WW6450","Li, Da-Chang; Zhou, Wei-Yi; Li, Chun-Bao","<i>N</i>-(4-Fluorophenyl)acetamide","Acta Crystallographica Section E","2006","62","1","o66","o67","10.1107/S1600536805039413","","","0.71073","MoKα","","0.0358","0.0274","","","0.0718","0.0775","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207937","10.332","0.002","15.163","0.003","16.01","0.003","90","","90.96","0.03","90","","2507.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Benzotriazol-1-yl 5-tert-butyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C25 H25 N5 O6 -","- C25 H25 N5 O6 -","- C100 H100 N20 O24 -","4","1","WW6455","Liu, Bao-Shu; Sun, Feng-Xia; Zhou, Li-Na; Sun, Hua; Wang, Jing-Kang","3-Benzotriazol-1-yl 5-<i>tert</i>-butyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","1","o72","o73","10.1107/S1600536805040079","","","0.71073","MoKα","","0.0752","0.0482","","","0.1391","0.1552","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207938","5.6128","0.001","13.627","0.003","19.442","0.004","90","","90","","90","","1487","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-(4-Methylbenzyl)-9H-carbazole","","- C20 H17 N -","- C20 H17 N -","- C80 H68 N4 -","4","1","WW6463","Cui Jian-Lan; Huang, Peng-Mian; Guo, Wen-Long","9-(4-Methylbenzyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","1","o94","o95","10.1107/S1600536805040201","","","0.71073","MoKα","","0.0617","0.037","","","0.0806","0.0912","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207939","8.968","0.002","16.69","0.003","22.019","0.004","90","","90","","90","","3295.7","1.1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,6-Dibromo-9-(4-chlorobenzyl)-9H-carbazole","","- C19 H12 Br2 Cl N -","- C19 H12 Br2 Cl N -","- C152 H96 Br16 Cl8 N8 -","8","1","WW6464","Cui, Jian-Lan; Huang, Peng-Mian; Guo, Wen-Long","3,6-Dibromo-9-(4-chlorobenzyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","1","o143","o144","10.1107/S1600536805040821","","","0.71073","MoKα","","0.0641","0.0348","","","0.0834","0.0985","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207940","9.654","0.002","10.579","0.002","17.972","0.004","90","","94.483","0.004","90","","1829.9","0.7","145","2","145","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Dihydronium bis(2,6-diaminopyridinium) tris(pyridine-2,6-dicarboxylato-κ^3^O,O',N)dysprosate(III) dihydrate","","- C31 H34 Dy N9 O16 -","- C31 H34 Dy N9 O16 -","- C62 H68 Dy2 N18 O32 -","2","0.5","XU6059","Rafizadeh, M.; Amani, V.","Dihydronium bis(2,6-diaminopyridinium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>O</i>',<i>N</i>)dysprosate(III) dihydrate","Acta Crystallographica Section E","2006","62","1","m90","m91","10.1107/S160053680504064X","","","0.71073","MoKα","","0.05","0.041","","","0.097","0.101","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207941","7.292","0.002","20.226","0.005","13.956","0.004","90","","93.669","0.005","90","","2054.1","1","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2,5-Dimethoxyphenyl)-3-ferrocenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one","","- C23 H21 Fe N3 O3 -","- C23 H21 Fe N3 O3 -","- C92 H84 Fe4 N12 O12 -","4","1","XU6063","Liu, Jian-Bing; Dai, Hong; Li, Li-Chun; Tao, Wei-Feng; Fang, Jian-Xin","1-(2,5-Dimethoxyphenyl)-3-ferrocenyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","1","m24","m25","10.1107/S1600536805038699","","","0.71073","MoKα","","0.1","0.049","","","0.11","0.129","","","","","","0.993","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207942","10.856","0.005","8.245","0.004","38.898","0.017","90","","90","","90","","3482","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H- pyrazolo[3,4-b]pyridine-5-carbonitrile","","- C20 H15 F N4 O -","- C20 H15 F N4 O -","- C160 H120 F8 N32 O8 -","8","1","XU6071","Jing Wang; Song-Lei Zhu","4-(4-Fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitrile","Acta Crystallographica Section E","2006","62","1","o47","o48","10.1107/S1600536805039462","","","0.71073","MoKα","","0.114","0.057","","","0.134","0.165","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207943","10.896","0.002","12.017","0.002","16.162","0.003","99.59","0.03","106.29","0.03","105.69","0.03","1887.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","5-Ethoxycarbonyl-2,6-dimethyl-4- (m-nitrophenyl)-1,4-dihydro-pyridine-3-carboxylic acid anhydride ethyl acetate solvate","5-Ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-pyridine- 3-carboxylic anhydride ethyl acetate solvate","","- C38 H42 N4 O13 -","- C38 H42 N4 O13 -","- C76 H84 N8 O26 -","2","1","XU6072","Sun, Feng-Xia; Yu, Yi-Feng; Guo, Xing-Na; Guo, Jun-Yong","5-Ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic anhydride ethyl acetate solvate","Acta Crystallographica Section E","2006","62","1","o83","o84","10.1107/S1600536805039772","","","0.71073","MoKα","","0.102","0.065","","","0.187","0.206","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207944","8.123","0.002","14.134","0.003","15.655","0.003","110.51","0.03","90.95","0.03","104.7","0.03","1617.2","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Aqua(3-carboxylatophenoxyacetato-κO)bis(1,10-phenanthroline- κ^2^N,N')manganese(II) tetrahydrate","","- C33 H32 Mn N4 O10 -","- C33 H32 Mn N4 O10 -","- C66 H64 Mn2 N8 O20 -","2","1","XU6085","Gao, Shan; Ng, Seik Weng","Aqua(3-carboxylatophenoxyacetato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) tetrahydrate","Acta Crystallographica Section E","2006","62","1","m181","m182","10.1107/S1600536805038559","","","0.71073","MoKα","","0.107","0.066","","","0.164","0.184","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207945","9.8647","0.0011","11.3846","0.0009","12.9516","0.0014","90","","107.446","0.005","90","","1387.6","0.2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","catena-Poly[[[bis(2-aminoethanesulfonato-κ^2^N,O)copper(II)]-μ-4,4'- bipyridine-κ^2^N:N'] 4,4'-bipyridine monohydrate]]","","- C24 H30 Cu N6 O7 S2 -","- C24 H30 Cu N6 O7 S2 -","- C48 H60 Cu2 N12 O14 S4 -","2","0.5","XU6086","Jin-Hua Cai; Yi-Min Jiang; Xiu-Ju Yin; Xu-Hui Liu; Xiu-Jian Wang","<i>catena</i>-Poly[[[bis(2-aminoethanesulfonato-κ^2^<i>N</i>,<i>O</i>)copper(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4,4'-bipyridine monohydrate]","Acta Crystallographica Section E","2006","62","1","m72","m73","10.1107/S1600536805040900","","","0.71073","MoKα","","0.06","0.047","","","0.093","0.099","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207946","6.291","0.0001","8.4579","0.0002","20.478","0.0005","98.789","0.0013","92.7051","0.0014","91.2243","0.0015","1075.16","0.04","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","Bis[2-(phenylsulfanyl)benzenethiolato]palladium(II)","","- C24 H18 Pd S4 -","- C24 H18 Pd S4 -","- C48 H36 Pd2 S8 -","2","1","XU6091","Daisuke Shimizu; Nobuhiro Takeda; Takahiro Sasamori; Norihiro Tokitoh","Bis[2-(phenylsulfanyl)benzenethiolato]palladium(II)","Acta Crystallographica Section E","2006","62","1","m166","m167","10.1107/S1600536805041711","","","0.71069","MoKα","","0.028","0.023","","","0.055","0.057","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207947","12.766","0.003","7.7327","0.0015","13.55","0.003","90","","101.66","0.03","90","","1310","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methyl-N-(3-nitrophenyl)benzenesulfonamide","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","YA6269","Jun-De Xing; Guo-Yi Bai; Tao Zeng; Jiang-Sheng Li","4-Methyl-<i>N</i>-(3-nitrophenyl)benzenesulfonamide","Acta Crystallographica Section E","2006","62","1","o79","o80","10.1107/S1600536805039395","","","0.71073","MoKα","","0.05","0.043","","","0.139","0.147","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207948","19.214","0.003","14.821","0.002","19.639","0.003","90","","90","","90","","5592.6","1.4","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-{(2,4-Dichlorophenyl)[5-hydroxy-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4- yl)methyl}-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-ol monohydrate","","- C27 H18 Cl2 F6 N4 O3 -","- C27 H18 Cl2 F6 N4 O3 -","- C216 H144 Cl16 F48 N32 O24 -","8","1","AC2002","Chang-Sheng Yao; Chen-Xia Yu; Shu-Jiang Tu; Xiang-Shan Wang","4-{(2,4-Dichlorophenyl)[5-hydroxy-1-phenyl-3-(trifluoromethyl)-1<i>H</i>-pyrazol-4yl]methyl}-1-phenyl-3-(trifluoromethyl)-1<i>H</i>-pyrazol-5-ol monohydrate","Acta Crystallographica Section E","2006","62","2","o771","o773","10.1107/S1600536806002339","","","0.71073","MoKα","","0.1559","0.0571","","","0.1016","0.1373","","","","","","1.001","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2207949","10.615","0.003","9.8137","0.0018","12.768","0.003","90","","90","","90","","1330.1","0.5","298","2","296","1","","","","","","","","3","P b c n","-P 2n 2ab","60","2,6,2',6'-Tetrabromobiphenyl","2,6,2',6'-Tetrabromobiphenyl","","- C12 H6 Br4 -","- C12 H6 Br4 -","- C48 H24 Br16 -","4","0.5","AC6215","Estrada, Jesús; Aguirre, Gerardo; Somanathan, Ratnasamy; Bernès, Sylvain","2,2',6,6'-Tetrabromobiphenyl","Acta Crystallographica Section E","2006","62","2","o388","o389","10.1107/S1600536805042145","","","0.71073","MoKα","","0.0911","0.0481","","","0.107","0.1274","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207950","21.0316","0.0011","21.7686","0.0011","15.2669","0.0008","90","","131.391","0.001","90","","5243.7","0.5","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","Octakis(μ~3~-tert-butylthiolato)bis(tert-butylthiolato)hexakis(1- methylpyrrolidin-2-one)-μ~6~-sulfido-hexabarium(II)","","- C70 H144 Ba6 N6 O6 S11 -","- C70 H142 Ba6 N6 O6 S11 -","- C140 H284 Ba12 N12 O12 S22 -","2","0.5","AC6221","Butcher, Ray J.; Purdy, Andrew P.","Octakis(μ~3~-<i>tert</i>-butylthiolato)bis(<i>tert</i>-butylthiolato)hexakis(1-methylpyrrolidin-2-one)-μ~6~-sulfido-hexabarium(II)","Acta Crystallographica Section E","2006","62","2","m342","m344","10.1107/S1600536805042017","","","0.71073","MoKα","","0.0454","0.0357","","","0.0767","0.0818","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207951","12.693","0.0014","14.5268","0.0016","7.2715","0.0008","90","","100.667","0.002","90","","1317.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(2,4-Difluorophenyl)-3-propyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","","- C13 H12 F2 N4 S -","- C13 H12 F2 N4 S -","- C52 H48 F8 N16 S4 -","4","1","AC6224","Li-Xue Zhang; Jian-Yu Jin; San-Nu Zhou; Hong-Ping Xiao; An-Jiang Zhang","6-(2,4-Difluorophenyl)-3-propyl-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2006","62","2","o400","o401","10.1107/S1600536805042339","","","0.71073","MoKα","","0.0797","0.0636","","","0.1247","0.1324","","","","","","1.155","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207952","10.305","0.0003","20.9052","0.0006","5.7182","0.0013","90","","90","","90","","1231.9","0.3","90","0.2","90","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","(Z)-2-(2-Methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","AC6225","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(2-Methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section E","2006","62","2","o393","o395","10.1107/S1600536805042625","","","0.71073","MoKα","","0.1041","0.0454","","","0.0804","0.098","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207953","5.8425","0.0002","9.9252","0.0003","21.3739","0.0007","90","","90","","90","","1239.43","0.07","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-2-(4-Methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","AC6226","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(4-Methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section E","2006","62","2","o396","o397","10.1107/S1600536805042637","","","0.71073","MoKα","","0.0543","0.0344","","","0.0695","0.0766","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207954","9.16","0.002","10.558","0.002","11.06","0.002","80.35","0.03","87.87","0.03","80.03","0.03","1038.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","10-Methyl-9-(2-methylphenoxycarbonyl)acridinium trifluoromethanesulfonate","","- C23 H18 F3 N O5 S -","- C23 H18 F3 N O5 S -","- C46 H36 F6 N2 O10 S2 -","2","1","AC6227","Artur Sikorski; Karol Krzymiński; Agata Białońska; Tadeusz Lis; Jerzy Błażejowski","10-Methyl-9-(2-methylphenoxycarbonyl)acridinium trifluoromethanesulfonate","Acta Crystallographica Section E","2006","62","2","o822","o824","10.1107/S1600536806002340","","","0.71073","MoKα","","0.062","0.034","","","0.063","0.067","","","","","","1.003","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207955","12.1073","0.0002","16.381","0.0005","7.5813","0.0004","90","","107.422","0.0014","90","","1434.62","0.09","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NO2-PCB 136","2,2',3,3',6,6'-Hexachloro-5-nitro-1,1'-biphenyl","","- C12 H3 Cl6 N O2 -","- C12 H3 Cl6 N O2 -","- C48 H12 Cl24 N4 O8 -","4","1","AC6228","Shaikh, Nadim S.; Parkin, Sean; Lehmler, Hans-Joachim","2,2',3,3',6,6'-Hexachloro-5-nitro-1,1'-biphenyl (5-Nitro PCB 136)","Acta Crystallographica Section E","2006","62","2","o662","o663","10.1107/S1600536806001334","","","0.71073","MoKα","","0.0627","0.0417","","","0.092","0.1004","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207956","7.603","0.002","8.079","0.002","11.202","0.004","82.97","0.03","74.84","0.03","84.95","0.03","658","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","6-[3-Phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3(2H)-one","","- C14 H9 F3 N4 O -","- C14 H9 F3 N4 O -","- C28 H18 F6 N8 O2 -","2","1","AT2001","Dilek, Nefise; Güneş, Bilal; Şahin, Ertan; Ide, Semra; Ünlü, Serdar","6-[3-Phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","2","o446","o448","10.1107/S160053680504256X","","","1.54184","CuKα","","0.0601","0.047","","","0.1326","0.1406","","","","","","1.067","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207957","18.485","0.008","9.818","0.004","9.632","0.004","90","","118.286","0.005","90","","1539.3","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,6-Bis(1-methyl-1H-tetrazol-5-ylsulfanyl)hexane","","- C10 H18 N8 S2 -","- C10 H18 N8 S2 -","- C40 H72 N32 S8 -","4","0.5","AT6064","Jiang-Bo She; Guo-Fang Zhang; Yin-Li Dou; Xue-Zhong Fan; Ji-Zhen Li","1,6-Bis(1-methyl-1<i>H</i>-tetrazol-5-ylsulfanyl)hexane","Acta Crystallographica Section E","2006","62","2","o402","o404","10.1107/S1600536805042418","","","0.71073","MoKα","","0.053","0.0411","","","0.1054","0.1185","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207958","4.3287","0.0006","14.224","0.002","14.515","0.002","90","","90","","90","","893.7","0.2","161","2","161","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,3,5-triiodobenzene","","- C6 H3 I3 -","- C6 H3 I3 -","- C24 H12 I12 -","4","1","AT6069","Margraf, Dominik; Bats, Jan W.","1,3,5-Triiodobenzene","Acta Crystallographica Section E","2006","62","2","o502","o504","10.1107/S1600536805042406","","","0.71073","MoKα","","0.0237","0.0217","","","0.0483","0.0488","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207959","19.2192","0.0019","4.7354","0.0005","23.421","0.002","90","","92.091","0.002","90","","2130.1","0.4","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(1,3-Dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)-N-[7-fluoro-3-oxo- 4-(prop-2-ynyl)-3,4-dihydro-2H-benzoxazin-6-yl]acetamide monohydrate","","- C21 H20 F N3 O6 -","- C21 H20 F N3 O6 -","- C84 H80 F4 N12 O24 -","4","1","AT6070","Zhong-Cheng Min; Ming-Zhi Huang; Wei-Min Chen; Quan Zhang; Guang-Fu Yang","2-(1,3-Dioxo-4,5,6,7-tetrahydro-1<i>H</i>-isoindol-2-yl)-<i>N</i>-[7-fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2<i>H</i>-benzoxazin-6-yl]acetamide monohydrate","Acta Crystallographica Section E","2006","62","2","o735","o736","10.1107/S1600536806002194","","","0.71073","MoKα","","0.1012","0.0618","","","0.1504","0.1668","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2207960","6.2089","0.0004","14.6385","0.0013","18.5957","0.0012","90","","90","","90","","1690.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tert-Butyl N-(2-bromocyclohex-2-enyl)-N-(2-furylmethyl)carbamate","","- C16 H22 Br N O3 -","- C16 H22 Br N O3 -","- C64 H88 Br4 N4 O12 -","4","1","AT6071","Koşar, Başak; Demircan, Aydın; Karaarslan, Muhsin; Büyükgüngör, Orhan","<i>tert</i>-Butyl <i>N</i>-(2-bromocyclohex-2-enyl)-<i>N</i>-(2-furylmethyl)carbamate","Acta Crystallographica Section E","2006","62","2","o765","o767","10.1107/S1600536806002224","","","0.71073","MoKα","","0.0836","0.0706","","","0.172","0.1795","","","","","","1.129","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207961","12.376","0.005","17.725","0.006","7.1","0.003","90","","97.42","0.03","90","","1544.4","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methylphenyl acridine-9-carboxylate","","- C21 H15 N O2 -","- C21 H15 N O2 -","- C84 H60 N4 O8 -","4","1","AT6072","Artur Sikorski; Karol Krzymiński; Agata Białońska; Tadeusz Lis; Jerzy Błażejowski","2-Methylphenyl acridine-9-carboxylate","Acta Crystallographica Section E","2006","62","2","o555","o558","10.1107/S1600536806000377","","","0.71073","MoKα","","0.165","0.067","","","0.17","0.192","","","","","","1.001","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207962","9.4931","0.0006","5.007","0.0004","9.5942","0.0008","90","","114.844","0.003","90","","413.83","0.06","293","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-Bi-1,3-thiazolidine","","- C6 H12 N2 S2 -","- C6 H12 N2 S2 -","- C12 H24 N4 S4 -","2","0.5","AT6073","Yliana López; M. Eugenia Ochoa; Rosa Santillan; Norberto Farfán; Efrén V. García-Báez; Itzia I. Padilla-Martínez","2,2'-Bi-1,3-thiazolidine","Acta Crystallographica Section E","2006","62","2","o525","o527","10.1107/S1600536806000389","","","0.71073","MoKα","","0.0407","0.0359","","","0.0871","0.0907","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207963","7.13","0.04","8.05","0.04","10.57","0.07","91.84","0.08","100.53","0.09","109.15","0.1","561","6","130.15","","130.15","","","","","","","","","4","P -1","-P 1","2","","3-(N-Phthalimidomethyl)pyridine","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C28 H20 N4 O4 -","2","1","AT6074","Qi-Wei Zhang; Yi-Hang Wen","3-(<i>N</i>-Phthalimidomethyl)pyridine","Acta Crystallographica Section E","2006","62","2","o508","o509","10.1107/S1600536806000390","","","0.71073","MoKα","","","0.0624","","","0.1466","0.16","","","","","","1.078","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207964","10.027","0.003","18.431","0.004","13.394","0.004","90","","100.613","0.011","90","","2433","1.2","298","1","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Risperidone chloride 2.5-hydrate","4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-[2-(2-methyl-4-oxo-3,4,6,7,8,9- hexahydro-2H-pyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidinium chloride 2.5-hydrate","","- C23 H33 Cl F N4 O4.5 -","- C23 H33 Cl F N4 O4.5 -","- C92 H132 Cl4 F4 N16 O18 -","4","1","AT6075","Dan-Hua Wang; Yuan-Jiang Pan","Risperidone chloride 2.5-hydrate: a new crystalline form","Acta Crystallographica Section E","2006","62","2","o768","o770","10.1107/S1600536806002157","","","0.71075","MoKα","","","0.0411","","","","0.1015","","","","","","1.036","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207965","12.6981","0.0017","9.063","0.0013","9.5362","0.0013","90","","104.592","0.002","90","","1062.1","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Carbamoylmethyl)-5-oxopyrrolidin-3-yl propionat","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C36 H56 N8 O16 -","4","1","AT6077","Xin, Chen; Jie, Lin; Ming, Yu; Jing, Zuo-Liang","1-(Carbamoylmethyl)-5-oxopyrrolidin-3-yl propionate","Acta Crystallographica Section E","2006","62","2","o678","o679","10.1107/S1600536806002005","","","0.71073","MoKα","","0.0899","0.0488","","","0.137","0.1515","","","","","","0.972","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207966","9.069","0.009","7.884","0.008","10.78","0.011","90","","111.279","0.017","90","","718.2","1.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,7,8,9-Tetrahydro-2H-1,2,4-triazolo[4,3-a]azepin-3(5H)-one","","- C7 H11 N3 O -","- C7 H11 N3 O -","- C28 H44 N12 O4 -","4","1","AT6078","Gui-Sheng Yu; Hai-Zhen Xu; Xin Zhang","6,7,8,9-Tetrahydro-2<i>H</i>-1,2,4-triazolo[4,3-<i>a</i>]azepin-3(5<i>H</i>)-one","Acta Crystallographica Section E","2006","62","2","o711","o712","10.1107/S1600536806002169","","","0.71073","MoKα","","0.0951","0.0581","","","0.1328","0.1545","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207967","6.3656","0.0004","13.51","0.001","13.9374","0.001","114.454","0.001","93.965","0.001","100.785","0.001","1057.31","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","μ-Furan-2,5-diylbis(methoxycarbene)-bis[pentacarbonylchromium(0)]","","- C18 H8 Cr2 O13 -","- C18 H8 Cr2 O13 -","- C36 H16 Cr4 O26 -","2","1","BD6018","Liles, David C; Lotz, Simon","μ-Furan-2,5-diylbis(methoxycarbene)-bis[pentacarbonylchromium(0)]","Acta Crystallographica Section E","2006","62","2","m331","m334","10.1107/S1600536806001413","","","0.71073","MoKα","","0.042","0.0356","","","0.0954","0.1028","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207968","6.787","0.0014","10.711","0.002","10.311","0.002","90","","102.06","0.03","90","","733","0.3","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","senecio lactone","(3aRS,7aRS)-3a-Hydroxy-3,3a,7,7a-tetrahydrobenzofuran-2,6-dione","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","BH6047","Tian, Xiaoyan; Wu, Yunshan; Gong, Ningbo; Lu, Yang; Fang, Weishuo","(3a<i>RS</i>,7a<i>RS</i>)-3a-Hydroxy-3,3a,7,7a-tetrahydrobenzofuran-2,6-dione","Acta Crystallographica Section E","2006","62","2","o458","o459","10.1107/S1600536805042868","","","0.71073","MoKα","","0.0553","0.0553","","","0.1466","0.1466","","","","","","1.267","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207969","8.06","0.003","19.531","0.006","21.868","0.007","90","","90.512","0.006","90","","3442","2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(3,5-Dichlorophenyl)-3-trifluoromethyl-1H-pyrazol-5-yl 2-chlorobenzoate","","- C17 H8 Cl3 F3 N2 O2 -","- C17 H8 Cl3 F3 N2 O2 -","- C136 H64 Cl24 F24 N16 O16 -","8","2","BH6056","Fan, Mei-Lian; Tao, Li; Sun, Cheng-Gao; Huang, Cai-Juan; Chao, Zi-Sheng","1-(3,5-Dichlorophenyl)-3-trifluoromethyl-1<i>H</i>-pyrazol-5-yl 2-chlorobenzoate","Acta Crystallographica Section E","2006","62","2","o505","o507","10.1107/S1600536806000237","","","0.71073","MoKα","","0.1024","0.0444","","","0.0984","0.1245","","","","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207970","5.5571","0.001","13.675","0.003","19.357","0.004","90","","90","","90","","1471","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(4-Chloro-benzyl)-9H-carbazole","9-(4-Chloro-benzyl)-9H-carbazole","","- C19 H14 Cl N -","- C19 H14 Cl N -","- C76 H56 Cl4 N4 -","4","1","BH6058","Cui, Jian-Lan; Huang, Peng-Mian; Guo, Wen-Long","9-(4-Chlorobenzyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","2","o500","o501","10.1107/S1600536806000249","","","0.71073","MoKα","","0.0794","0.0384","","","0.0713","0.083","","","","","","0.987","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207971","7.0091","0.0018","11.116","0.003","19.336","0.005","90","","99.442","0.004","90","","1486.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetato-κO)[2-acetylpyridine 4-methylthiosemicarbazonato-κ^3^N,N',S]copper(II) monohydrate","","- C11 H15 Cu N4 O3 S -","- C11 H15 Cu N4 O3 S -","- C44 H60 Cu4 N16 O12 S4 -","4","1","BR6223","Emmanuel Ngwang Nfor; Xiao-Zeng You; Liu Wei; Grace Iniama","(Acetato-κ<i>O</i>)(2-acetylpyridine 4-methylthiosemicarbazonato-κ^3^<i>N</i>,<i>N</i>',<i>S</i>)copper(II) monohydrate","Acta Crystallographica Section E","2006","62","2","m379","m381","10.1107/S1600536806002364","","","0.71073","MoKα","","0.0529","0.0403","","","0.0979","0.1022","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207972","6.286","0.004","7.6675","0.0016","17.358","0.005","90","","97.33","0.04","90","","829.8","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Acetyl-N-methylaniline","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","BT2001","Tsonko Kolev; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge","4-Acetyl-<i>N</i>-methylaniline","Acta Crystallographica Section E","2006","62","2","o774","o776","10.1107/S1600536806001401","","","0.71073","MoKα","","0.1466","0.0625","","","0.1203","0.1414","","","","","","0.991","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207973","7.355","0.001","11.6182","0.0015","13.6335","0.0017","90","","90","","90","","1165","0.3","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(E)-(3,5-dimethylisoxazol-4-yl)diazenyl]benzoic acid","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","BT6785","Alvarez-Thon, Luis; Bustos, Carlos; Schott, Eduardo; Sanchez, Christian; Ibañez, Andres","Double π‒π stacking in 2-[(<i>E</i>)-(3,5-dimethylisoxazol-4-yl)diazenyl]benzoic acid","Acta Crystallographica Section E","2006","62","2","o595","o597","10.1107/S1600536806000985","","","0.71073","MoKα","","0.0872","0.0434","","","0.0671","0.0738","","","","","","0.908","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207974","9.376","0.0006","9.9065","0.0006","16.014","0.001","96.954","0.001","102.005","0.001","110.693","0.001","1329.92","0.14","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2,3,3a,4,5,9b-hexahydro-4-phenylfuro[3,2-c]quinoline","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","2","BT6796","K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy","2,3,3a,4,5,9b-Hexahydro-4-phenylfuro[3,2-<i>c</i>]quinoline","Acta Crystallographica Section E","2006","62","2","o542","o544","10.1107/S1600536806000560","","","0.71073","MoKα","","0.0482","0.0422","","","0.1124","0.1174","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207975","15.4921","0.0019","5.5915","0.0008","17.1846","0.0019","90","","97.815","0.005","90","","1474.8","0.3","110","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Benzyl 2,3,4,6-tetramethylbenzoate","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","BT6797","A. G. Pinkus; Klausmeyer, Kevin K.; Feazell, Rodney P.; Ellen C. H. Y. Lin","Benzyl 2,3,4,6-tetramethylbenzoate","Acta Crystallographica Section E","2006","62","2","o523","o524","10.1107/S1600536806000535","","","0.71073","MoKα","","0.0544","0.0442","","","0.1127","0.1226","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207976","8.0465","0.0004","14.5972","0.0007","23.7454","0.0014","90","","90","","90","","2789","0.3","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Triamcinolonacetate","16α,21-diacetoxy-9α-fluoro-11β,17α-dihydroxy-1,4-pregnadiene-3,20-dione chloroform solvate","","- C26 H32 Cl3 F O8 -","- C26 H32 Cl3 F O8 -","- C104 H128 Cl12 F4 O32 -","4","1","BT6799","Suitchmezian, Viktor; Jeß, Inke; Näther, Christian","Triamcinolone diacetate chloroform solvate","Acta Crystallographica Section E","2006","62","2","o788","o790","10.1107/S1600536806001711","","","0.71073","MoKα","","0.0729","0.0469","","","0.1052","0.1216","","","","","","1.032","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207977","6.7007","0.0002","11.7108","0.0005","13.1888","0.0005","78.912","0.002","80.801","0.002","73.492","0.002","967.64","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","1,4-Bis{N-[4-(ethoxycarbonyl)benzyl]-N-(4-tolylsulfonyl)aminomethyl}benzene","","- C42 H44 N2 O8 S2 -","- C42 H44 N2 O8 S2 -","- C42 H44 N2 O8 S2 -","1","0.5","BT6800","Nieger, Martin; Schwierz, Holger; Vögtle, Fritz","1,4-Bis{<i>N</i>-[4-(ethoxycarbonyl)benzyl]-<i>N</i>-(4-tolylsulfonyl)aminomethyl}benzene","Acta Crystallographica Section E","2006","62","2","o576","o578","10.1107/S1600536806000742","","","0.71073","MoKα","","0.0388","0.0334","","","0.0893","0.0927","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207978","8.4437","0.0008","9.7548","0.0008","12.187","0.0008","95.254","0.006","94.757","0.007","103.426","0.008","966.62","0.14","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","N-(6-Methoxy-2-methyl-8-quinolyl)-4-n-propylbenzenesulfonamide","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C40 H44 N4 O6 S2 -","2","1","BT6801","da Silva, Luiz Everson; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","<i>N</i>-(6-Methoxy-2-methyl-8-quinolyl)-4-<i>n</i>-propylbenzenesulfonamide","Acta Crystallographica Section E","2006","62","2","o626","o627","10.1107/S1600536806001176","","","1.5418","CuKα","","0.0666","0.046","","","0.118","0.1307","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207979","8.8976","0.0012","9.2438","0.0012","9.2535","0.0012","82.467","0.002","87.605","0.002","79.982","0.002","742.87","0.17","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2,13-dibenzyl-5,16-dimethyl-2,6,13,17- tetraazatricyclo[16.4.0^1,18^.0^7,12^]docosane","","- C34 H52 N4 -","- C34 H52 N4 -","- C34 H52 N4 -","1","0.5","BT6802","Choi, Jong-Ha; Clegg, William; Harrington, Ross W.; Yoon, Hyang-Mi; Hong, Yong Pyo","A tetraazamacrocycle with benzyl substituents","Acta Crystallographica Section E","2006","62","2","o644","o646","10.1107/S1600536806001425","","","0.71073","MoKα","","0.0707","0.0637","","","0.1282","0.1309","","","","","","1.271","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207980","8.4813","0.0013","20.409","0.005","10.939","0.002","90","","90.719","0.013","90","","1893.3","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Chloro-2-phenylethylaminium chloride","","- C8 H11 Cl2 N -","- C8 H11 Cl2 N -","- C64 H88 Cl16 N8 -","8","2","BT6803","Lejon, Tore; Ingebrigtsen, Truls; Hansen, Lars Kr.","2-Chloro-2-phenylethylammonium chloride","Acta Crystallographica Section E","2006","62","2","o701","o702","10.1107/S1600536806001966","","","0.71069","MoKα","","0.1521","0.0394","","","0.0774","0.0978","","","","","","0.872","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207981","14.2768","0.0001","5.9066","0.0001","14.6413","0.0002","90","","90.778","0.001","90","","1234.55","0.03","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Amino-1-[2-(diethylamino)ethyl]-1H-imidazole-4-carboxamide","","- C10 H19 N5 O -","- C10 H19 N5 O -","- C40 H76 N20 O4 -","4","1","BT6804","Raja Dey; Tapati Banerjee; Vratislav Langer; Sibdas Ray; Priyobroto Roychowdhury","5-Amino-1-[2-(diethylamino)ethyl]-1<i>H</i>-imidazole-4-carboxamide","Acta Crystallographica Section E","2006","62","2","o814","o816","10.1107/S160053680600239X","","","0.71073","MoKα","","0.0565","0.0464","","","0.114","0.1211","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207982","15.2574","0.0012","11.0441","0.0008","19.155","0.002","90","","90.246","0.001","90","","3227.7","0.5","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Tris(ethylenediamine) cadmium nitrate","Tris(ethylenediamine-κ^2^N,N')cadmium(II) dinitrate","","- C6 H24 Cd N8 O6 -","- C6 H24 Cd N8.003 O6.009 -","- C48 H192 Cd8 N64.024 O48.072 -","8","1","BT6805","Timothy J. Prior","Tris(ethylenediamine-κ^2^<i>N,N</i>')cadmium(II) dinitrate","Acta Crystallographica Section E","2006","62","2","m352","m354","10.1107/S1600536806002170","","","0.6711","synchrotron","","0.0631","0.0495","","","0.1084","0.1181","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207983","12.1488","0.0013","12.2273","0.0013","7.3404","0.0008","90","","99.329","0.002","90","","1076","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(Diformylmethylidene)-3,3-dimethyl-2,3-dihydro-1H-indole","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","BT6806","Madeleine Helliwell; Arash Afgan; Mehdi M. Baradarani; John A. Joule","Formylation of an indolenine: 2-(diformylmethylidene)-3,3-dimethyl-2,3-dihydro-1<i>H</i>-indole","Acta Crystallographica Section E","2006","62","2","o737","o738","10.1107/S1600536806002261","","","0.71073","MoKα","","0.0472","0.0359","","","0.0911","0.0953","","","","","","0.988","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207984","9.919","0.001","9.687","0.001","19.656","0.002","90","","90","","90","","1888.7","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(tetramethylammonium) di-μ-fluoro-bis[aquatetrafluorohafnate(IV)]","","- C8 H28 F10 Hf2 N2 O2 -","- C8 H28 F10 Hf2 N2 O2 -","- C32 H112 F40 Hf8 N8 O8 -","4","0.5","BV6041","Gerasimenko, Andrey V.; Davidovich, Ruven L.; Tkachev, Valery V.; Ng, Seik Weng","Bis(tetramethylammonium) di-μ-fluoro-bis[aquatetrafluorohafnate(IV)]","Acta Crystallographica Section E","2006","62","2","m196","m197","10.1107/S1600536805042479","","","0.71073","MoKα","","0.025","0.021","","","0.053","0.055","","","","","","1.09","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207985","10.6621","0.0012","15.5874","0.0017","13.218","0.0015","90","","92.069","0.002","90","","2195.3","0.4","87","2","87","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ethyl 3-(10-chloroanthracenyl)-5-(1-phenyl-2-hydroxyethenyl)isoxazole-4-carboxylate","Ethyl 3-(10-chloroanthracenyl)-5-(1-phenyl-2-hydroxyethenyl)isoxazole-4-carboxylate","","- C28 H20 Cl N O4 -","- C28 H20 Cl N O4 -","- C112 H80 Cl4 N4 O16 -","4","1","BV6042","Li, Chun; Twamley, Brendan; Natale, Nicholas R.","Ethyl 3-(10-chloroanthracenyl)-5-(1-phenyl-2-hydroxyethenyl)isoxazole-4-carboxylate: an enol produced by Dess‒Martin oxidation","Acta Crystallographica Section E","2006","62","2","o854","o856","10.1107/S1600536806002698","","","0.71073","MoKα","","0.0364","0.0346","","","0.0935","0.0953","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207986","10.0561","0.0002","23.3986","0.0005","15.3811","0.0003","90","","96.317","0.001","90","","3597.18","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[aqua(2,2'-bipyridine)cobalt(II)]-μ-5-nitrobenzene-1,3- dicarboxylato-κ^3^O:O',O''] 0.25-hydrate]","","- C18 H13.5 Co N3 O7.25 -","- C18 H13.5 Co N3 O7.25 -","- C144 H108 Co8 N24 O58 -","8","2","BV6044","Xie, Gang; Zeng, Ming-Hua; Chen, San-Ping; Gao, Sheng-Li","<i>catena</i>-Poly[[[aqua(2,2'-bipyridine)cobalt(II)]-μ-5-nitrobenzene-1,3-dicarboxylato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>''] 0.25-hydrate]","Acta Crystallographica Section E","2006","62","2","m397","m399","10.1107/S1600536806002704","","","0.71073","MoKα","","0.0667","0.0384","","","0.0981","0.1115","","","","","","0.946","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207987","18.381","0.005","4.8068","0.0013","27.575","0.007","90","","103.655","0.004","90","","2367.5","1.1","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Butyl 3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]-2-propenoate","","- C24 H26 O6 -","- C24 H26 O6 -","- C96 H104 O24 -","4","1","BV6045","Xue-Fei Yang; Xiao-Bing Wang; Ling-Yi Kong","Butyl 3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]-2-propenoate","Acta Crystallographica Section E","2006","62","2","o817","o819","10.1107/S1600536806002686","","","0.71073","MoKα","","0.1787","0.0752","","","0.1834","0.2592","","","","","","0.996","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207988","18.7019","0.0005","18.7019","0.0005","16.2506","0.0008","90","","90","","90","","5683.8","0.4","193","2","193","2","","","","","","","","3","I -4","I -4","82","","2,7-dibromo-9,9-di-n-octyl-9H-fluorene","","- C29 H40 Br2 -","- C29 H40 Br2 -","- C232 H320 Br16 -","8","1","BV6048","McFarlane, Shaune; McDonald, Robert; Veinot, Jonathan G. C.","2,7-Dibromo-9,9-di-<i>n</i>-octyl-9<i>H</i>-fluorene","Acta Crystallographica Section E","2006","62","2","o859","o861","10.1107/S1600536806002881","","","0.71073","MoKα","","0.058","0.0448","","","0.1141","0.1233","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207989","10.391","0.004","7.771","0.003","33.314","0.013","90","","90","","90","","2690.1","1.8","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Potassium 2-benzoylbenzoate dihydrate","","- C14 H13 K O5 -","- C14 H13 K O5 -","- C112 H104 K8 O40 -","8","1","CF6482","Wang, Dan-Dan; Zhu, Hong-Jun; Shan, Ning; Song, Guang-Liang; Wang, Jin-Tang","Potassium 2-benzoylbenzoate dihydrate","Acta Crystallographica, Section E","2006","62","2","o427","o428","10.1107/S160053680504290X","","","0.71073","MoKα","","0.1193","0.105","","","0.2351","0.2427","","","","","","1.368","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2207990","9.251","0.001","13.493","0.002","14.785","0.002","92.881","0.002","95.48","0.002","90.096","0.002","1834.7","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","5,7-bis(benzyloxy)-4H-benzopyran-4-one","","- C23 H18 O4 -","- C23 H18 O4 -","- C92 H72 O16 -","4","2","CF6483","Zhi-Fang Hao; Qiang Xu; Zhi-Feng Lu; Jian-Xin Li","5,7-Bis(benzyloxy)-4<i>H</i>-benzopyran-4-one","Acta Crystallographica Section E","2006","62","2","o552","o554","10.1107/S1600536806000614","","","0.71073","MoKα","","0.0812","0.0588","","","0.1349","0.1414","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207991","7.289","0.006","7.396","0.007","32.66","0.03","90","","90","","90","","1761","3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(1S-cis)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthy]methylammonium chloride","","- C17 H18 Cl3 N -","- C17 H18 Cl3 N -","- C68 H72 Cl12 N4 -","4","1","CF6484","K. Ravikumar; B. Sridhar; M. N. Bhanu","Sertraline hydrochloride form II","Acta Crystallographica Section E","2006","62","2","o565","o567","10.1107/S1600536806000730","","","0.71073","MoKα","","0.0516","0.045","","","0.1065","0.1185","","","","","","1.137","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207992","6.6504","0.0004","10.7872","0.0003","10.857","0.004","70.481","0.004","87.411","0.008","83.68","0.007","729.6","0.3","293.5","","","","","","","","","","","6","P -1","-P 1","2","","1,3,4,4-Tetrachloro-4-(4-chlorophenylsulfanyl)-2-nitrobuta-1,3-diene","","- C10 H4 Cl5 N O2 S -","- C10 H4 Cl5 N O2 S -","- C20 H8 Cl10 N2 O4 S2 -","2","1","CF6485","Ibis, Cemil; Sayil, M. Cigdem; Deniz, N. Gulsah","1,3,4,4-Tetrachloro-4-(4-chlorophenylsulfanyl)-2-nitrobuta-1,3-diene","Acta Crystallographica Section E","2006","62","2","o800","o801","10.1107/S1600536806001838","","","0.7107","MoKα","","","0.079","","","","0.085","","","","","","1.095","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207993","7.3545","0.0006","15.0337","0.0012","8.7923","0.0007","90","","104.467","0.001","90","","941.3","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2,1,3-benzothiadiazole-5-carboxylate","","- C9 H8 N2 O2 S -","- C9 H8 N2 O2 S -","- C36 H32 N8 O8 S4 -","4","1","CF6486","Xue-Mei Li; Li-Ping Du; Jun Yang; Shu-Sheng Zhang","Ethyl 2,1,3-benzothiadiazole-5-carboxylate","Acta Crystallographica Section E","2006","62","2","o568","o569","10.1107/S1600536806000717","","","0.71073","MoKα","","0.0416","0.038","","","0.1006","0.1046","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207994","7.755","0.001","17.229","0.002","9.7792","0.0012","90","","105.598","0.002","90","","1258.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Methyl-2-nitrophenyl)benzimidazole","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","CF6487","Xue-Mei Li; Li-Ping Du; Jun Yang; Shu-Sheng Zhang","2-(3-Methyl-2-nitrophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2006","62","2","o582","o583","10.1107/S1600536806000729","","","0.71073","MoKα","","0.0869","0.0577","","","0.1395","0.1576","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207995","6.463","0.0013","10.911","0.002","11.371","0.002","97.91","0.03","94.37","0.03","99.12","0.03","780.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-[5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylthiazolidin-4-one","","- C17 H12 F N3 O S2 -","- C17 H12 F N3 O S2 -","- C34 H24 F2 N6 O2 S4 -","2","1","CF6488","Wan, Rong; Wu, Feng; Yin, Jun; Wang, Jin-Tang","3-[5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylthiazolidin-4-one","Acta Crystallographica Section E","2006","62","2","o746","o747","10.1107/S1600536806002431","","","0.71073","MoKα","","0.0639","0.0467","","","0.1263","0.1429","","","","","","0.991","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207996","11.542","0.002","8.793","0.002","14.095","0.002","90","","102.14","0.01","90","","1398.5","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","13(R)-9β-methyl-1(10),14-diene-friedlabda-13-O-α-L-2'- acetylrhamonopyanoside","3-methyl-5-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydronaphthyl)pent- 1-en-3-yl 2-O-acetylrhamnopyanoside","","- C28 H46 O6 -","- C28 H46 O6 -","- C56 H92 O12 -","2","1","CF6490","Ying Zhu; Cai-Xia Yang; Zhong-Jian Jia","A rearranged labdane diterpene glycoside","Acta Crystallographica Section E","2006","62","2","o762","o764","10.1107/S1600536806002418","","","0.71073","MoKα","","0.076","0.0376","","","0.0734","0.0822","","","","","","0.813","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207997","7.18471","0.00011","11.04142","0.00015","32.6727","0.0005","90","","90","","90","","2591.91","0.07","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Pentafluorophenyl (3R,4R,5R)-5-{[(3R,4R,5R)-5-azidomethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran- 3-carbonylamino]methyl}-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-3-carboxylate","","- C22 H25 F5 N4 O9 -","- C22 H25 F5 N4 O9 -","- C88 H100 F20 N16 O36 -","4","1","CI2001","Punzo, Francesco; Cowley, Andrew R.; Watkin, David J.; Iezzi Simone, Michela; Edwards, Alison A.; Tranter, George E.; Fleet, George W. J.","Pentafluorophenyl (3<i>R</i>,4<i>R</i>,5<i>R</i>)-5-{[(3<i>R</i>,4<i>R</i>,5<i>R</i>)-5-azidomethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-3-carbonylamino]methyl}-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-3-carboxylate","Acta Crystallographica Section E","2006","62","2","o473","o475","10.1107/S1600536805043205","","","1.54248","CuKα","","0.0454","0.0357","","0.0808","0.0783","0.0808","","","","","","0.9185","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207998","15.4115","0.0017","7.4744","0.0008","14.7332","0.0016","90","","116.703","0.002","90","","1516.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(5-chloro-2-formylphenolato-κ^2^O,O')cobalt(II)","","- C14 H12 Cl2 Co O6 -","- C14 H12 Cl2 Co O6 -","- C56 H48 Cl8 Co4 O24 -","4","1","CI6708","Nie, Fei","Diaquabis(5-chloro-2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)","Acta Crystallographica Section E","2006","62","2","m188","m189","10.1107/S1600536805042534","","","0.71073","MoKα","","0.064","0.0391","","","0.0891","0.099","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207999","13.5069","0.0016","11.8393","0.0014","19.57","0.002","90","","91.595","0.002","90","","3128.3","0.6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[[[di-μ-acetato-1κ^2^O:2κ^2^O'-bis[(acetato- κ^2^O,O')cadmium(II)]]-di-μ-4,4'-bipyridine-1κN:1'κN';2κN:2'κN'] monohydrate]","","- C28 H30 Cd2 N4 O9 -","- C28 H30 Cd2 N4 O9 -","- C112 H120 Cd8 N16 O36 -","4","0.5","CI6730","Jian Fang; Jinyu Han; Heying Chang; Yang Dong","<i>catena</i>-Poly[[[di-μ-acetato-1κ^2^<i>O</i>:2κ^2^<i>O</i>'-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]]-di-μ-4,4'-bipyridine-1κ<i>N</i>:1'κ<i>N</i>';2κ<i>N</i>:2'κ<i>N</i>'] monohydrate]","Acta Crystallographica Section E","2006","62","2","m210","m212","10.1107/S160053680504314X","","","0.71073","MoKα","","0.0369","0.0263","","","0.0615","0.0663","","","","","","1.129","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208000","12.5457","0.0015","12.903","0.002","13.1415","0.0017","67.63","0.01","89.012","0.01","64.41","0.01","1746.4","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","tris(piperidinium) bis(3,5-dinitrosalicylate) picrate monohydrate","tris(piperidinium) bis(3,5-dinitrosalicylate) picrate monohydrate","","- C28.79 H42.79 N7.21 O15 -","- C28.79 H42.79 N7.21 O15 -","- C57.58 H85.58 N14.42 O30 -","2","1","CI6731","Graham Smith; Urs D. Wermuth; Peter C. Healy","Mixed 3,5-dinitrosalicylate(2‒) and partial 3,5-dinitrosalicylate(1‒) and picrate(1‒) species in tris(piperidinium) bis(3,5-dinitrosalicylate) picrate monohydrate","Acta Crystallographica Section E","2006","62","2","o610","o613","10.1107/S1600536806000973","","","0.71069","MoKα","","0.219","0.0553","","","0.1417","0.211","","","","","","0.889","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208001","8.304","0.0017","10.783","0.002","11.699","0.002","90","","90","","90","","1047.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-n-butylpyridinium bromide","N-n-butylpyridinium bromide","","- C9 H14 Br N -","- C9 H14 Br N -","- C36 H56 Br4 N4 -","4","1","CI6733","Ji, Jin-Xiu; Xu, Bin; Liu, Shan; Wang, Jin-Tang","<i>N</i>-<i>n</i>-Butylpyridinium bromide","Acta Crystallographica Section E","2006","62","2","o516","o517","10.1107/S1600536806000353","","","0.71073","MoKα","","0.1158","0.0465","","","0.1077","0.1384","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208002","8.8632","0.0007","22.4711","0.0016","11.5569","0.0008","90","","97.017","0.001","90","","2284.5","0.3","292","2","292","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dimethyl {[5-chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole- 4-carbonyloxy](4-methoxyphenyl)methyl}phosphonate","","- C21 H19 Cl F3 N2 O6 P -","- C21 H19 Cl F3 N2 O6 P -","- C84 H76 Cl4 F12 N8 O24 P4 -","4","1","CI6735","Liang, Ying; He, Hong-Wu","Dimethyl [(5-chloro-1-phenyl-3-trifluoromethyl-1<i>H</i>-pyrazole-4-carbonyloxy)(4-methoxyphenyl)methyl]phosphonate","Acta Crystallographica Section E","2006","62","2","o485","o486","10.1107/S1600536806000109","","","0.71073","MoKα","","0.0636","0.0534","","","0.1405","0.1471","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208003","17.6945","0.0019","16.1753","0.0017","12.1585","0.0013","90","","106.128","0.002","90","","3343","0.6","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chloro(2-{[N-(4-methoxybenzyl)methylamino]methyl}ferrocene-κ^2^N,C^1^) (triphenylphosphine-κP)palladium(II)","","- C38 H37 Cl Fe N O P Pd -","- C38 H37 Cl Fe N O P Pd -","- C152 H148 Cl4 Fe4 N4 O4 P4 Pd4 -","4","1","CI6736","Hong-Xing Wang; Hong-Fei Wu; Ren-Qing Gao; Feng-Ying Geng; Ying-Jie Li","Chloro(2-{[<i>N</i>-(4-methoxybenzyl)methylamino]methyl}ferrocene-κ^2^<i>N</i>,<i>C</i>^1^)(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section E","2006","62","2","m190","m191","10.1107/S1600536805042844","","","0.71073","MoKα","","0.0548","0.0316","","","0.0671","0.0762","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208004","12.3198","0.0012","9.7102","0.0009","18.3096","0.0018","90","","90.842","0.001","90","","2190.1","0.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","{2-[(Benzylmethylamino)methyl]ferrocene-κ^2^N,C^1^} chloro(dimethyl sulfoxide-κS)platinum(II)","","- C21 H26 Cl Fe N O Pt S -","- C21 H26 Cl Fe N O Pt S -","- C84 H104 Cl4 Fe4 N4 O4 Pt4 S4 -","4","1","CI6737","Hong-Xing Wang; Hong-Fei Wu; Feng-Ying Geng; Ren-Qing Gao; Hui-Chao Zhou","{2-[(Benzylmethylamino)methyl]ferrocene-κ^2^<i>N</i>,<i>C</i>^1^}chloro(dimethyl sulfoxide-κ<i>S</i>)platinum(II)","Acta Crystallographica Section E","2006","62","2","m192","m193","10.1107/S1600536805042856","","","0.71073","MoKα","","0.0215","0.0191","","","0.0465","0.0473","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208005","6.1094","0.001","8.5797","0.0015","15.339","0.003","90","","95.197","0.003","90","","800.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(piperidine-1-dithiocarbamato-κS,S')palladium(II)","","- C12 H20 N2 Pd S4 -","- C12 H20 N2 Pd S4 -","- C24 H40 N4 Pd2 S8 -","2","0.5","CI6738","Farkhanda Shaheen; Amin Badshah; Shazia Anjum; Ali Saqib","Bis(piperidine-1-dithiocarbamato-κ^2^<i>S</i>,<i>S</i>')palladium(II)","Acta Crystallographica Section E","2006","62","2","m329","m330","10.1107/S1600536806000468","","","0.71073","MoKα","","0.0257","0.021","","","0.0527","0.0546","","","","","","1.183","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208006","12.3775","0.0018","22.5695","0.0019","10.0534","0.0012","90","","93.018","0.008","90","","2804.6","0.6","298","1","298","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(3-benzylpentane-2,4-dionato)(nicotinamide)copper(II)","","- C30 H32 Cu N2 O5 -","- C30 H32 Cu N2 O5 -","- C120 H128 Cu4 N8 O20 -","4","1","CI6739","Nenad Judaš; Branko Kaitner","Hydrogen-bond-driven self-assembly of bis(3-benzylpentane-2,4-dionato)(nicotinamide)copper(II) in the solid state","Acta Crystallographica Section E","2006","62","2","m241","m243","10.1107/S1600536806000286","","","0.71073","MoKα","","","0.0516","","","","0.1513","","","","","","0.968","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208007","7.3677","0.0009","13.0995","0.0019","7.4839","0.001","90","","95.43","0.007","90","","719.05","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[AgBOD]2","bis[μ-2H-1,3-benzoxazine-2,4(3H)-dionato]disilver(I)","","- C16 H8 Ag2 N2 O6 -","- C16 H8 Ag2 N2 O6 -","- C32 H16 Ag4 N4 O12 -","2","0.5","CI6740","Whitcomb, David R.; Rajeswaran, Manju","A new silver‒silver-bonded dimer complex: solid-state structure of bis[μ-2<i>H</i>-1,3-benzoxazine-2,4(3<i>H</i>)-dionato]disilver(I)","Acta Crystallographica Section E","2006","62","2","m272","m274","10.1107/S1600536806000316","","","0.71073","MoKα","","0.0599","0.0393","","","0.091","0.102","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208008","7.875","0.001","7.87","0.001","15.139","0.003","90","","93.335","0.015","90","","936.7","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","8-Oxotetrahydropalmatine","2,3,9,10-tetramethoxy-5,6,13,13a-tetrahydroisoquino[3,2-a]isoquinolin-8-one","","- C21 H23 N O5 -","- C21 H23 N O5 -","- C42 H46 N2 O10 -","2","1","CI6741","Xiao-Ling Wang","8-Oxotetrahydropalmatine","Acta Crystallographica Section E","2006","62","2","o498","o499","10.1107/S1600536806000080","","","0.71073","MoKα","","0.067","0.0413","","","0.0945","0.1028","","","","","","0.917","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208009","10.5344","0.0003","9.7241","0.0004","15.1999","0.0006","90","","99.594","0.002","90","","1535.26","0.1","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Methoxy-N-[2-(3-thienyl)-1,2,3,4-tetrahydro-1-naphthyl)acetamide","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","2","CI6742","Dockendorff, Chris; Lautens, Mark; Lough, Alan J.","2-Methoxy-<i>N</i>-[2-(3-thienyl)-1,2,3,4-tetrahydro-1-naphthyl]acetamide","Acta Crystallographica Section E","2006","62","2","o639","o641","10.1107/S1600536806001036","","","0.71073","MoKα","","0.1169","0.0594","","","0.1303","0.1577","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208010","6.6224","0.0007","7.358","0.0008","10.7995","0.0012","103.598","0.002","93.378","0.002","97.272","0.002","505.22","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Cyclohexane-1,3-dicarboximide, acetic acid (1/1)","3-azabicyclo[3.3.1]nonane-2,4-dione‒acetic acid (1/1)","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C20 H30 N2 O8 -","2","1","CI6743","Hulme, Ashley T.; Johnston, Andrea; Florence, Alastair J.; Tocher, Derek A.","3-Azabicyclo[3.3.1]nonane-2,4-dione‒acetic acid (1/1)","Acta Crystallographica Section E","2006","62","2","o545","o547","10.1107/S1600536806000602","","","0.71073","MoKα","","0.0388","0.0358","","","0.0953","0.0978","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208011","9.7018","0.0018","11.09","0.002","15.757","0.003","90","","96.839","0.003","90","","1683.3","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","10-(4-Methoxyphenyl)-3,7-dimethyl-1H,9H,10H-dipyrano[3,4-e:4',3'-b]pyran- 1,9-dione","","- C20 H16 O6 -","- C20 H16 O6 -","- C80 H64 O24 -","4","1","CI6744","Yuan Gao; Yan Zhang; Shujiang Tu","10-(4-Methoxyphenyl)-3,7-dimethyl-1<i>H</i>,9<i>H</i>,10<i>H</i>-dipyrano[3,4-<i>e</i>:4',3'-<i>b</i>]pyran-1,9-dione","Acta Crystallographica Section E","2006","62","2","o601","o602","10.1107/S1600536806000961","","","0.71073","MoKα","","0.0773","0.0423","","","0.0954","0.116","","","","","","1.022","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208012","9.1528","0.0002","10.344","0.0002","22.0663","0.0004","90","","90","","90","","2089.16","0.07","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","14-Deoxy-11,12-didehydro-3,19-isopropyledineandrographolide","(E)-3-[2-(3,3,6a,10b-tetramethyl-8-methyleneperhydronaphtho[2,1-d][1,3]dioxin- 7-yl)vinyl]furan-2(5H)-one","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","1","CI6746","Jeannie Bee-Jan Teh; Sreenivasa Rao Sagineedu; Hoong-Kun Fun; Ibrahim Abdul Razak; Nordin Hj Lajis; Johnson Stanslas","14-Deoxy-11,12-didehydro-3,19-isopropylideneandrographolide","Acta Crystallographica Section E","2006","62","2","o589","o591","10.1107/S1600536806000699","","","0.71073","MoKα","","0.0816","0.0431","","","0.0912","0.1066","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208013","7.0358","0.0001","14.398","0.0003","14.6002","0.0002","90","","90.175","0.001","90","","1479.01","0.04","100","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dinitrobenzoic acid‒quinoline (1/1)","","- C16 H11 N3 O6 -","- C16 H11 N3 O6 -","- C64 H44 N12 O24 -","4","1","CI6747","Mohd Mustaqim Rosli; Hoong-Kun Fun; Abdul Razak Ibrahim; Tanin Panawarangkul; Suchada Chantrapromma","The 1:1 adduct of 3,5-dinitrobenzoic acid and quinoline","Acta Crystallographica Section E","2006","62","2","o726","o728","10.1107/S1600536806002145","","","0.71073","MoKα","","0.0434","0.0384","","","0.107","0.1109","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208014","7.6735","0.0001","11.7744","0.0002","26.4742","0.0005","90","","90","","90","","2391.97","0.07","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-3-{2-[3-(2-bromophenyl)-6a,10b-dimethyl-8- methyleneperhydronaphtho[2,1-d][1,3]dioxin-7-yl]ethylidene}-4-hydroxy- 4,5-dihydrofuran-2(3H)-one","","- C27 H33 Br O5 -","- C27 H33 Br O5 -","- C108 H132 Br4 O20 -","4","1","CI6748","Shea-Lin Ng; Sreenivasa Rao Sagineedu; Ibrahim Abdul Razak; Hoong-Kun Fun; Srinivasa Rao Jada; Johnson Stanslas","3,19-(2-Bromobenzylidene)andrographolide","Acta Crystallographica Section E","2006","62","2","o592","o594","10.1107/S1600536806000705","","","0.71073","MoKα","","0.1673","0.0485","","","0.0833","0.1087","","","","","","0.926","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208015","10.3234","0.0017","5.2159","0.0009","15.448","0.003","90","","98.341","0.002","90","","823","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-[1-Hydroxy-3-(methylsulfanylmethylsulfinyl)propan-2-yl]-2-oxo- 2H-chromene-3-carboxamide","","- C15 H17 N O5 S2 -","- C15 H17 N O5 S2 -","- C30 H34 N2 O10 S4 -","2","1","CI6749","Xiao-Feng Cheng; Li-Qiang Cao; Wen-Bin Chen; Hai-Bin Song","<i>N</i>-[1-Hydroxy-3-(methylsulfanylmethylsulfinyl)propan-2-yl]-2-oxo-2<i>H</i>-chromene-3-carboxamide","Acta Crystallographica Section E","2006","62","2","o721","o723","10.1107/S160053680600208X","","","0.71073","MoKα","","0.0337","0.0293","","","0.0694","0.0724","","","","","","1.086","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208016","15.554","0.003","9.5377","0.0019","21.441","0.004","90","","100.86","0.03","90","","3123.8","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[N-(2-Ammonioethyl)ethylenediamine-κ^2^N,N'][hydrogen N-(phosphonatomethyl)iminodiacetato]copper(II) sesquihydrate","","- C9 H24 Cu N4 O8.5 P -","- C9 H24 Cu N4 O8.5 P -","- C72 H192 Cu8 N32 O68 P8 -","8","1","CV2001","Shi, Fa-Nian; Almeida Paz, Filipe A.; Trindade, Tito; Rocha, João","[<i>N</i>-(2-Ammonioethyl)ethylenediamine-κ^2^<i>N</i>,<i>N</i>'][hydrogen <i>N</i>-(phosphonatomethyl)iminodiacetato]copper(II) sesquihydrate","Acta Crystallographica Section E","2006","62","2","m335","m338","10.1107/S1600536806001139","","","0.71073","MoKα","","0.0671","0.0389","","","0.0844","0.095","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208017","7.2657","0.0015","7.4743","0.0015","13.317","0.003","97.5","0.03","102.82","0.03","111.25","0.03","639.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-(4-Chlorobenzyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C14 H10 Cl N O3 S -","- C14 H10 Cl N O3 S -","- C28 H20 Cl2 N2 O6 S2 -","2","1","CV2002","Zhi-Qiang Hu; Guo-Dong Si; Kai Zhou; Guan-Ping Yu; Liang-Zhong Xu","2-(4-Chlorobenzyl)-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide","Acta Crystallographica Section E","2006","62","2","o427","o428","10.1107/S1600536806001140","","","0.71073","MoKα","","0.0532","0.05","","","0.1448","0.1516","","","","","","1.114","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208018","12.2406","0.001","17.2407","0.0006","17.4069","0.0006","118.615","0.002","92.644","0.002","97.961","0.002","3166.9","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexahydroxycalix[6]arene dichloromethane disolvate","","- C68 H88 Cl4 O6 -","- C68 H88 Cl4 O6 -","- C136 H176 Cl8 O12 -","2","1","CV6606","Felsmann, Marika; Schwarzer, Anke; Weber, Edwin","5,11,17,23,29,35-Hexa-<i>tert</i>-butyl-37,38,39,40,41,42-hexahydroxycalix[6]arene dichloromethane disolvate","Acta Crystallographica Section E","2006","62","2","o607","o609","10.1107/S1600536805041279","","","0.71073","MoKα","","0.1306","0.0545","","","0.1157","0.133","","","","","","0.963","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208019","7.3392","0.0015","7.4413","0.0016","14.592","0.003","97.745","0.003","94.787","0.003","118.655","0.003","682.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Dioxo(pyridine-2-carboxylato)(pyridinium-2-carboxylato)vanadium(V) monohydrate","","- C12 H11 N2 O7 V -","- C12 H11 N2 O7 V -","- C24 H22 N4 O14 V2 -","2","1","CV6608","Khoon, Lim Eng; Guan, Teoh Siang; Yamin, Bohari M.","Dioxo(pyridine-2-carboxylato)(pyridinium-2-carboxylato)vanadium(V) monohydrate","Acta Crystallographica Section E","2006","62","2","m207","m209","10.1107/S1600536805042686","","","0.71073","MoKα","","0.042","0.035","","","0.088","0.092","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208020","14.582","0.006","6.909","0.003","22.653","0.007","90","","125.482","0.018","90","","1858.4","1.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 3,3-bis(benzylsulfanyl)acrylate","","- C19 H20 O2 S2 -","- C19 H20 O2 S2 -","- C76 H80 O8 S8 -","4","1","CV6609","Li-Rong Wen; Wen-Ying Qi; Xiao Wang; Ming Li","Ethyl 3,3-bis(benzylsulfanyl)acrylate","Acta Crystallographica Section E","2006","62","2","o453","o454","10.1107/S1600536805042698","","","0.71073","MoKα","","0.062","0.0368","","","0.0958","0.1133","","","","","","1.059","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208021","7.6392","0.0014","10.5533","0.0019","11.766","0.002","105.235","0.003","103.187","0.003","98.154","0.003","870.3","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","[2-(N,N-Dimethylamino)ethanolato-κ^2^N,O]bis(2,4-pentanedionate- κ^2^O,O')manganese(II)","","- C14 H25 Mn N O5 -","- C14 H25 Mn N O5 -","- C28 H50 Mn2 N2 O10 -","2","1","CV6611","Muhammad, Sultan; Mazhar, Muhammad; Zeller, Matthias; Hunter, Allen D.","[2-(<i>N</i>,<i>N</i>-Dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>]bis(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')manganese(II)","Acta Crystallographica Section E","2006","62","2","m224","m226","10.1107/S1600536806000043","","","0.71073","MoKα","","0.0434","0.0366","","","0.0931","0.0963","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208022","7.9887","0.0011","8.0574","0.0007","11.842","0.0011","90","","94.223","0.01","90","","760.18","0.14","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(-)-[1-(1-Naphthyl)ethyl]salicylaldimine","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","CV6617","Iglesias, Ana L.; Aguirre, Gerardo; Somanathan, Ratnasamy; Parra-Hake, Miguel","(<i>R</i>)-(‒)-[1-(1-Naphthyl)ethyl]salicylaldimine","Acta Crystallographica Section E","2006","62","2","o390","o392","10.1107/S1600536805042443","","","0.71073","MoKα","","0.0865","0.0499","","","0.1105","0.1299","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208023","7.5217","0.001","22.186","0.003","10.9869","0.0018","90","","98.356","0.012","90","","1814","0.5","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","bis(melaminium) L-tartrate 2.5-hydrate","","- C10 H23 N12 O8.5 -","- C10 H22 N12 O8.5 -","- C40 H88 N48 O34 -","4","1","CV6618","Udayalakshmi, K.; Thamotharan, S.; Ramamurthi, K.; Varghese, B.","Supramolecular architecture of bis(melaminium) <small>L</small>-tartrate 2.5-hydrate","Acta Crystallographica Section E","2006","62","2","o455","o457","10.1107/S1600536805042674","","","1.5418","CuKα","","0.0397","0.0378","","","0.1105","0.1124","","","","","","1.094","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208024","8.048","0.002","9.568","0.003","9.931","0.003","79.433","0.004","82.145","0.004","69.839","0.004","703.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-Chloro-1-phenylsulfonyl-1H-indole-2-carbaldehyde","","- C15 H10 Cl N O3 S -","- C15 H10 Cl N O3 S -","- C30 H20 Cl2 N2 O6 S2 -","2","1","CV6621","K. Palani; M. N. Ponnuswamy; P. Jaisankar; P. C. Srinivasan; M. Nethaji","3-Chloro-1-phenylsulfonyl-1<i>H</i>-indole-2-carbaldehyde","Acta Crystallographica Section E","2006","62","2","o437","o439","10.1107/S160053680504300X","","","0.71073","MoKα","","0.0706","0.0554","","","0.1344","0.1444","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208025","8.2689","0.0014","8.9841","0.0015","11.805","0.002","77.722","0.003","86.703","0.003","64.795","0.003","774.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-Bromomethyl-1-phenylsulfonyl-1H-indole-2-carbonitrile","","- C16 H11 Br N2 O2 S -","- C16 H11 Br N2 O2 S -","- C32 H22 Br2 N4 O4 S2 -","2","1","CV6622","K. Palani; M. N. Ponnuswamy; P. Jaisankar; P. C. Srinivasan; M. Nethaji","3-Bromomethyl-1-phenylsulfonyl-1<i>H</i>-indole-2-carbonitrile","Acta Crystallographica Section E","2006","62","2","o440","o442","10.1107/S1600536805043011","","","0.71073","MoKα","","0.0565","0.0436","","","0.1122","0.1198","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208026","8.35","0.006","17.604","0.009","8.197","0.005","90","","97.549","0.018","90","","1194.5","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[4-(Acetamido)phenoxy]-N,N-dimethylacetamide:","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C48 H64 N8 O12 -","4","1","CV6623","Sundar, T. V.; Parthasarathi, V.; Lang, H.; Malik, R.; Piplani, P.","2-[4-(Acetamido)phenoxy]-<i>N</i>,<i>N</i>-dimethylacetamide: a potential anti-amnesic agent","Acta Crystallographica Section E","2006","62","2","o443","o445","10.1107/S1600536805043023","","","0.71073","MoKα","","0.0986","0.0496","","","0.1099","0.1269","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208027","7.644","0.0005","14.1397","0.001","23.7588","0.0016","90","","90","","90","","2567.9","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Amino-1-(4-nitrobenzyl)pyridinium bromide","","- C12 H12 Br N3 O2 -","- C12 H12 Br N3 O2 -","- C96 H96 Br8 N24 O16 -","8","1","CV6624","Sundar, T. V.; Parthasarathi, V.; Sridhar, B.; Venkatesan, P.; Nallu, M.","3-Amino-1-(4-nitrobenzyl)pyridinium bromide","Acta Crystallographica Section E","2006","62","2","o482","o484","10.1107/S1600536806000079","","","0.71073","MoKα","","0.0386","0.0284","","","0.0697","0.0758","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2208028","11.1834","0.0008","13.7038","0.001","15.8307","0.0009","90","","133.27","0.003","90","","1766.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Ethoxyphenyl)-6-(4-methoxyphenyl)-7H-1,2,4- triazolo[3,4-b][1,3,4]thiadiazine","","- C19 H18 N4 O2 S -","- C19 H18 N4 O2 S -","- C76 H72 N16 O8 S4 -","4","1","CV6625","San-Nu Zhou; Li-Xue Zhang; Jian-Yu Jin; Mao-lin Hu; An-Jiang Zhang","3-(4-Ethoxyphenyl)-6-(4-methoxyphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2006","62","2","o563","o564","10.1107/S1600536806000572","","","0.71073","MoKα","","0.0586","0.0524","","","0.132","0.1363","","","","","","1.121","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208029","21.602","0.003","7.3765","0.0012","18.248","0.003","90","","122.139","0.002","90","","2462.2","0.7","298","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(4,6-Dimethoxy-1,3,5-triazin-2-yloxy)benzotriazole","","- C11 H10 N6 O3 -","- C11 H10 N6 O3 -","- C88 H80 N48 O24 -","8","1","CV6626","Da-Tong Zhang; Fang-Gang Sun; Ya-Wei Sun; Gui-Yun Duan; Jian-Wu Wang","1-(4,6-Dimethoxy-1,3,5-triazin-2-yloxy)-1<i>H</i>-benzotriazole","Acta Crystallographica Section E","2006","62","2","o494","o495","10.1107/S1600536806000055","","","0.71073","MoKα","","0.0466","0.0385","","","0.1038","0.1085","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208030","9.4636","0.001","10.0256","0.0011","11.6641","0.0013","102.699","0.002","102.171","0.002","102.984","0.002","1011.81","0.19","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(4-methylphenylsulfonamido)- 1H-pyrazole-3-carbonitrile","","- C18 H11 Cl2 F3 N4 O2 S -","- C18 H11 Cl2 F3 N4 O2 S -","- C36 H22 Cl4 F6 N8 O4 S2 -","2","1","CV6627","Zhong, Ping; Zhang, Xiao-Hong; Xiao, Hong-Ping; Hu, Mao-Lin","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(4-methylphenylsulfonamido)-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2006","62","2","o513","o515","10.1107/S1600536806000250","","","0.71073","MoKα","","0.0746","0.0671","","","0.1921","0.1994","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208031","8.187","0.0009","11.2783","0.0012","13.0752","0.0014","69.19","0.002","80.777","0.002","89.274","0.002","1112.7","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","1-(2-Methoxy-2-oxoethyl)pyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","","- C14 H10 N Ni O2 S10 -","- C14 H10 N Ni O2 S10 -","- C28 H20 N2 Ni2 O4 S20 -","2","1","CV6628","Koori, Takahiro; Tomono, Kazuaki; Miyamura, Kazuo","1-(2-Methoxy-2-oxoethyl)pyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","Acta Crystallographica Section E","2006","62","2","m256","m258","10.1107/S160053680600016X","","","0.71073","MoKα","","0.0697","0.0431","","","0.0798","0.0882","","","","","","0.887","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208032","13.0342","0.0012","8.9631","0.0011","14.0836","0.0012","90","","92.811","0.008","90","","1643.4","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,2'-Diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')bis(glycinato-κ^2^N,O)nickel(II) dihydrate","","- C10 H18 N6 Ni O6 S2 -","- C10 H18 N6 Ni O6 S2 -","- C40 H72 N24 Ni4 O24 S8 -","4","0.5","CV6629","Bing-Xin Liu; Jian-Yong Yu; Duan-Jun Xu","(2,2'-Diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')bis(glycinato-κ^2^<i>N</i>,<i>O</i>)nickel(II) dihydrate","Acta Crystallographica Section E","2006","62","2","m222","m223","10.1107/S1600536806000067","","","0.71073","MoKα","","0.027","0.025","","","0.062","0.063","","","","","","1.053","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208033","14.5715","0.0007","7.708","0.0004","18.3799","0.0009","90","","112.291","0.001","90","","1910.11","0.16","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[cis-diaqua(2,2'-bipyridine)manganese(II)]-μ-5- sulfonatosalicylato]","","- C17 H16 Mn N2 O8 S -","- C17 H16 Mn N2 O8 S -","- C68 H64 Mn4 N8 O32 S4 -","4","1","CV6630","Fan, Sai-Rong; Zhu, Long-Guan","<i>catena</i>-Poly[[<i>cis</i>-diaqua(2,2'-bipyridine)manganese(II)]-μ-5-sulfonatosalicylato]","Acta Crystallographica Section E","2006","62","2","m292","m294","10.1107/S1600536806001127","","","0.71073","MoKα","","0.036","0.034","","","0.089","0.091","","","","","","1.072","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208034","6.1654","0.0013","29.374","0.006","7.2827","0.0016","90","","111.188","0.004","90","","1229.8","0.5","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl phenyl terephthalate","","- C15 H12 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","CV6631","Xian-Shu Fu; Fa Cheng; Yong-Mei Xie","Methyl phenyl terephthalate","Acta Crystallographica Section E","2006","62","2","o680","o681","10.1107/S1600536806001760","","","0.71073","MoKα","","0.0761","0.0427","","","0.0998","0.1168","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208035","15.465","0.003","12.284","0.002","8.1513","0.0015","90","","96.094","0.003","90","","1539.8","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-(1,2,3-benzothiadiazole-7-carbonyl)piperidine-4-carboxylate","","- C15 H17 N3 O3 S -","- C15 H17 N3 O3 S -","- C60 H68 N12 O12 S4 -","4","1","CV6633","Jian-Zhuang Zhao; Li-Li Bao; Zhi-Jin Fan; Hai-Bin Song; Xiu-Feng Liu","Ethyl 1-(1,2,3-benzothiadiazol-7-ylcarbonyl)piperidine-4-carboxylate","Acta Crystallographica Section E","2006","62","2","o628","o629","10.1107/S1600536806001206","","","0.71073","MoKα","","0.0932","0.0477","","","0.1303","0.1618","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208036","35.775","0.006","5.7948","0.001","20.174","0.003","90","","99.893","0.003","90","","4120.1","1.2","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","c-5-Hydroxy-r-2,c-4-bis(isopropoxycarbonyl)-t-5-methyl-t-3-phenylcyclohexanone","","- C21 H28 O6 -","- C21 H28 O6 -","- C168 H224 O48 -","8","1","CV6634","Hema, R.; Parthasarathi, V.; Ravikumar, K.; Pandiarajan, K.; Murugavel, K.","<i>c</i>-5-Hydroxy-<i>r</i>-2,<i>c</i>-4-bis(isopropoxycarbonyl)-<i>t</i>-5-methyl-<i>t</i>-3-phenylcyclohexanone","Acta Crystallographica Section E","2006","62","2","o703","o705","10.1107/S1600536806001772","","","0.71073","MoKα","","0.0421","0.0374","","","0.0998","0.1043","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208037","9.3871","0.0004","14.7295","0.0006","21.6478","0.0009","90","","90","","90","","2993.2","0.2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,t-6-Dihydroxy-t-5-methoxycarbonyl-c-6-methyl-r-4-phenyl-4,5,6,7-tetrahydro- 1H-indazole","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","1","CV6635","Hema, R.; Parthasarathi, V.; Ravikumar, K.; Sridhar, B.; Pandiarajan, K","3,<i>t</i>-6-Dihydroxy-<i>t</i>-5-methoxycarbonyl-<i>c</i>-6-methyl-<i>r</i>-4-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazole","Acta Crystallographica Section E","2006","62","2","o656","o658","10.1107/S1600536806001486","","","0.71073","MoKα","","0.046","0.0416","","","0.1091","0.1129","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208038","3.9231","0.0019","14.16","0.007","12.895","0.006","90","","93.544","0.007","90","","715","0.6","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-Chlorobenzaldehyde oxime","","- C7 H6 Cl N O -","- C7 H6 Cl N O -","- C28 H24 Cl4 N4 O4 -","4","1","CV6636","Da-Tong Zhang; Fang-Gang Sun; Duan, Gui-Yun; Jian-Wu Wang","(<i>E</i>)-2-Chlorobenzaldehyde oxime","Acta Crystallographica Section E","2006","62","2","o715","o716","10.1107/S1600536806001978","","","0.71073","MoKα","","0.0513","0.0459","","","0.1014","0.1045","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208039","8.1399","0.001","8.4654","0.0011","13.3901","0.0017","103.201","0.002","101.383","0.002","92.577","0.002","876.7","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Bis(4-methoxyphenyl)-3-oxapentanediamide","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C36 H40 N4 O10 -","2","1","CV6637","Yong-Hong Wen; Hui-Ling Wen; Shu-Sheng Zhang; Xue-Mei Li; Kun Zhang","<i>N</i>,<i>N</i>'-Bis(4-methoxyphenyl)-3-oxapentanediamide","Acta Crystallographica Section E","2006","62","2","o682","o684","10.1107/S160053680600198X","","","0.71073","MoKα","","0.0712","0.0581","","","0.1511","0.1634","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208040","8.7412","0.0019","10.53","0.002","13.881","0.003","81.964","0.003","89.058","0.003","76.467","0.003","1229.8","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-(4,6-Dimethoxy-1,3,5-triazin-2-yloxy)-1H-pyridino[2,3-d]triazole","","- C10 H9 N7 O3 -","- C10 H9 N7 O3 -","- C40 H36 N28 O12 -","4","2","CV6640","Da-Tong Zhang; Fang-Qang Sun; Gui-Yun Duan; Jian-Wu Wang","1-(4,6-Dimethoxy-1,3,5-triazin-2-yloxy)-1<i>H</i>-pyridino[2,3-<i>d</i>]triazole","Acta Crystallographica Section E","2006","62","2","o857","o858","10.1107/S1600536806002996","","","0.71073","MoKα","","0.0687","0.0548","","","0.129","0.1392","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208041","10.4017","0.0008","18.1543","0.0014","20.9916","0.0014","90","","90","","90","","3964","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[(diethyl ether-κO)lithium(I)]-μ-1,1,3,3- tetraisopropyltriphosphane-κP^2^:κ^2^P^1^,P^3^-lithium(I)-μ-1,1,3,3- tetraisopropyltriphosphane-κ^2^P^1^,P^3^:κP^2^]","","- C28 H66 Li2 O P6 -","- C28 H66 Li2 O P6 -","- C112 H264 Li8 O4 P24 -","4","1","DN3002","Wioleta Domanska; Jaroslaw Chojnacki; Jerzy Pikies","<i>catena</i>-Poly[[(diethyl ether-κ<i>O</i>)lithium(I)]-μ-1,1,3,3-tetraisopropyltriphosphane-κ<i>P</i>^2^:κ^2^<i>P</i>^1^,<i>P</i>^3^-lithium(I)-μ-1,1,3,3-tetraisopropyltriphosphane-κ^2^<i>P</i>^1^,<i>P</i>^3^:κ<i>P</i>^2^]","Acta Crystallographica Section E","2006","62","2","m233","m234","10.1107/S1600536805043163","","","0.71073","MoKα","","0.069","0.0587","","","0.1188","0.1239","","","","","","1.073","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208042","6.289","0.003","6.66","0.003","9.628","0.004","75.043","0.006","80.778","0.006","81.575","0.006","382.2","0.3","295","2","","","","","","","","","","4","P -1","-P 1","2","","Poly[[tetraaquatri-μ-oxolato-dithulium] dihydrate]","","- C6 H12 O18 Tm2 -","- C6 H12 O18 Tm2 -","- C6 H12 O18 Tm2 -","1","0.5","DN6275","Shu-Feng Si; Ru-Ji Wang","Poly[[tetraaquatri-μ-oxolato-dithulium] dihydrate]","Acta Crystallographica Section E","2006","62","2","m289","m291","10.1107/S1600536805042376","","","0.71073","MoKα","","0.0201","0.0188","","","0.0456","0.046","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208043","15.7144","0.001","9.1003","0.0006","21.2585","0.0013","90","","105.547","0.001","90","","2928.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis[N-(2-pyridylmethyl)benzamide-k^2^N,O]cadmium(II) dinitrate","","- C26 H26 Cd N6 O10 -","- C26 H26 Cd N6 O10 -","- C104 H104 Cd4 N24 O40 -","4","0.5","DN6283","Xiao-Ru Zhang; Ji-Long Jia; Xue-Mei Li; Shu-Sheng Zhang","Diaquabis[<i>N</i>-(2-pyridylmethyl)benzamide-κ^2^<i>N</i>,<i>O</i>]cadmium(II) dinitrate","Acta Crystallographica Section E","2006","62","2","m185","m187","10.1107/S1600536805042704","","","0.71073","MoKα","","0.04","0.0338","","","0.0797","0.0828","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208044","14.839","0.003","7.0388","0.0012","7.9745","0.0014","90","","90","","90","","832.9","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","6-Chloro-2-(dibromomethyl)pyridine","","- C6 H4 Br2 Cl N -","- C6 H4 Br2 Cl N -","- C24 H16 Br8 Cl4 N4 -","4","0.5","DN6286","Ming-Xiang Qiu; Min-Zhang","6-Chloro-2-(dibromomethyl)pyridine","Acta Crystallographica Section E","2006","62","2","o449","o450","10.1107/S160053680504287X","","","0.71073","MoKα","","0.0252","0.0222","","","0.0533","0.0545","","","","","","1.126","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208045","12.1766","0.0002","12.5948","0.0002","15.4676","0.0003","90","","90","","90","","2372.14","0.07","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10-methyl-8,9,10,11,11a,12-hexahydro5H,7H-isoquinolino[3,2-g][1,3,5]triazepine- 7,11-dione","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C104 H120 N24 O16 -","8","2","DN6287","Lena, Gersande; Wenger, Emmanuel; Guichard, Gilles; Didierjean, Claude","10-Methyl-8,9,10,11,11a,12-hexahydro-5<i>H</i>,7<i>H</i>-isoquinolino[3,2-<i>g</i>][1,3,5]triazepine-7,11-dione","Acta Crystallographica Section E","2006","62","2","o518","o520","10.1107/S1600536805043096","","","0.71073","MoKα","","","0.0449","","","","0.1174","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208046","11.6442","0.0011","11.3675","0.001","12.8149","0.0012","90","","99.058","0.002","90","","1675.1","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzylidene-1-phenyl-2-propylamino-1H-imidazol-5(4H)-one","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","DN6292","Ju-Zhen Yuan; Ming-Wu Ding","4-Benzylidene-1-phenyl-2-propylamino-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","2","o647","o648","10.1107/S1600536806000924","","","0.71073","MoKα","","0.0785","0.0542","","","0.1318","0.1429","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208047","4.0626","0.0005","25.53","0.003","10.5576","0.0012","90","","96.909","0.002","90","","1087.1","0.2","273","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-(4-Fluorophenyl)-3-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","","- C11 H9 F N4 S -","- C11 H9 F N4 S -","- C44 H36 F4 N16 S4 -","4","1","DN6293","Li-Xue Zhang; Jian-Yu Jin; San-Nu Zhou; Hong-Ping Xiao; An-Jiang Zhang","6-(4-Fluorophenyl)-3-methyl-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2006","62","2","o398","o399","10.1107/S1600536805042467","","","0.71073","MoKα","","0.0955","0.077","","","0.1599","0.1692","","","","","","1.254","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208048","23.0524","0.0016","8.1639","0.0008","15.3994","0.0011","90","","120.621","0.005","90","","2494","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(2-formylphenoxy)phtalonitrile","","- C15 H8 N2 O2 -","- C15 H8 N2 O2 -","- C120 H64 N16 O16 -","8","1","DN6295","Kartal, Aslı; Ocak Ískeleli, Nazan; Albayrak, Çiğdem; Ağar, Erbil; Erdönmez, Ahmet","4-(2-Formylphenoxy)phthalonitrile","Acta Crystallographica Section E","2006","62","2","o548","o549","10.1107/S1600536806000158","","","0.71073","MoKα","","0.0589","0.0373","","","0.1029","0.1102","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208049","8.4862","0.0015","8.642","0.0014","14.727","0.003","91.261","0.014","98.442","0.014","118.186","0.012","936.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Heptyloxyphenoxy)phthalonitrile","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C42 H44 N4 O4 -","2","1","DN6296","Şamil Işık; Yavuz Köysal","4-(4-Heptyloxyphenoxy)phthalonitrile","Acta Crystallographica Section E","2006","62","2","o671","o672","10.1107/S1600536806001656","","","0.71073","MoKα","","0.0974","0.0457","","","0.0996","0.1183","","","","","","0.967","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208050","9.68","0.003","8.579","0.003","18.007","0.006","90","","100.217","0.006","90","","1471.7","0.8","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diisopropyl (hydroxyphenylmethyl)phosphonate","","- C13 H21 O4 P -","- C13 H21 O4 P -","- C52 H84 O16 P4 -","4","1","DN6297","Fang, Hua; Fang, Mei-Juan; Luo, Shu-Na; Huang, Rong-Bin; Zhao, Yu-Fen","Diisopropyl (hydroxyphenylmethyl)phosphonate","Acta Crystallographica Section E","2006","62","2","o637","o638","10.1107/S1600536806001024","","","0.71073","MoKα","","0.0747","0.0613","","","0.1486","0.1581","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208051","6.3241","0.0009","7.415","0.004","19.243","0.006","90","","90","","90","","902.4","0.6","268","2","268","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(pyridine N-oxide-κO)cadmium(II)]-di-μ-chloro]","","- C5 H7 Cd Cl2 N O2 -","- C5 H7 Cd Cl2 N O2 -","- C20 H28 Cd4 Cl8 N4 O8 -","4","1","DN6298","Englert, Ulli; Schiffers, Stefanie","<i>catena</i>-Poly[[aqua(pyridine <i>N</i>-oxide-κ<i>O</i>)cadmium(II)]-di-μ-chloro]","Acta Crystallographica Section E","2006","62","2","m295","m296","10.1107/S1600536806001097","","","0.71073","MoKα","","0.058","0.0487","","","0.1494","0.1674","","","","","","1.119","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208052","12.0838","0.0005","11.6346","0.0006","11.542","0.0006","90","","116.522","0.004","90","","1451.92","0.13","150","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3,5,5[^2^H~4~]-4-Methacrylamido-2,2,6,6-tetra([^2^H~3~]methyl)piperidin- 1-yloxyl","","- C13 H7 D16 N2 O2 -","- C13 H23 N2 O2 -","- C52 H92 N8 O8 -","4","1","DN6300","Duskova, Jarmila; Jiri Labsky; Michal Dusek; Jindrich Hasek","The 3,3,5,5[^2^H~4~]-4-methacrylamido-2,2,6,6-tetra([^2^H~3~]methyl)piperidin-1-yloxyl radical","Acta Crystallographica Section E","2006","62","2","o811","o813","10.1107/S160053680600273X","","","0.7107","MoKα","","0.0515","0.0387","","","0.103","0.109","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208053","7.303","0.002","11.005","0.002","21.447","0.004","90","","90","","90","","1723.7","0.7","296","2","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","DL-Phenylglycinium chloride","","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C64 H80 Cl8 N8 O16 -","8","1","DN6303","Bouacida, Sofiane; Hocine, Merazig; Patricia, Benard-Rocherulle","<small>DL</small>-Phenylglycinium chloride","Acta Crystallographica Section E","2006","62","2","o838","o840","10.1107/S1600536806003023","","","0.71073","MoKα","","0.0427","0.0298","","","0.0941","0.1159","","","","","","1.006","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208054","12.877","0.003","14.3165","0.0018","7.596","0.0015","90","","102.934","0.008","90","","1364.8","0.5","161","2","161","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-Dimethyl-5-[2-(Hydroxymethyl)-4-nitrophenyl]pent-4-ynamide","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","1","ER2001","Bats, Jan W.; Schäfer, Sascha; Hashmi, A. Stephen K.","<i>N</i>,<i>N</i>-Dimethyl-5-[2-(hydroxymethyl)-4-nitrophenyl]pent-4-ynamide","Acta Crystallographica Section E","2006","62","2","o666","o667","10.1107/S1600536806001437","","","0.71073","MoKα","","0.1097","0.0542","","","0.122","0.1486","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208055","8.3112","0.0014","9.462","0.0016","10.766","0.0018","75.293","0.002","79.256","0.002","75.352","0.002","785.5","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","bis(μ-2,5-di-3-pyridyl-1,3,4-oxadiazole-κ^2^N^2^:N^5^)disilver(I) bis(trifluoromethanesulfonate)","","- C26 H16 Ag2 F6 N8 O8 S2 -","- C26 H16 Ag2 F6 N8 O8 S2 -","- C26 H16 Ag2 F6 N8 O8 S2 -","1","0.5","ER6034","Li, Jie; Ma, Jian-Ping; Xia, Ji-Bao; Huang, Ru-Qi; Dong, Yu-Bin","Bis(μ-2,5-di-3-pyridyl-1,3,4-oxadiazole-κ^2^<i>N</i>^2^:<i>N</i>^5^)disilver(I) bis(trifluoromethanesulfonate)","Acta Crystallographica Section E","2006","62","2","m247","m248","10.1107/S1600536805038869","","","0.71073","MoKα","","0.0423","0.0402","","","0.1105","0.1131","","","","","","1","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208056","5.0742","0.0005","9.9436","0.0011","14.7249","0.0016","97.982","0.002","96.684","0.002","95.524","0.002","725.97","0.13","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","2,6-Difluorobenzohydroxamic acid","","- C7 H5 F2 N O2 -","- C7 H5 F2 N O2 -","- C28 H20 F8 N4 O8 -","4","2","ER6037","Xiang-Gao Meng; Xian-Mei Shang","2,6-Difluorobenzohydroxamic acid","Acta Crystallographica Section E","2006","62","2","o651","o652","10.1107/S1600536806001474","","","0.71073","MoKα","","0.0489","0.0415","","","0.1104","0.1153","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208057","7.366","0.005","11.372","0.005","23.02","0.005","90","","90","","90","","1928.3","1.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3aR,5S,7S,7aS)-5-{[tert-Butyl(dimethyl)silyloxy]methyl}-7-ethoxy-3-methyl- 7,7a-dihydro-3aH-pyrano[4,3-d]isoxazol-4(5H)-one","","- C16 H29 N O5 Si -","- C16 H29 N O5 Si -","- C64 H116 N4 O20 Si4 -","4","1","FL6197","Cottier, Louis; Srivastava, Rajendra M.; Sinou, Denis; Freitas Filho, Joao R.; Jeanneau, Erwann","(3a<i>R</i>,5<i>R</i>,7<i>S</i>,7a<i>S</i>)-5-[(<i>tert</i>-Butyldimethylsilyloxy)methyl]-7-ethoxy-3-methyl-7,7a-dihydro-3a<i>H</i>-pyrano[4,3-<i>d</i>]isoxazol-4(5<i>H</i>)-one","Acta Crystallographica Section E","2006","62","2","o540","o541","10.1107/S1600536805034392","","","0.71069","MoKα","","0.0749","0.0463","","","0.0475","0.0475","","","","","","1.0566","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208058","6.0843","0.0002","5.4818","0.0002","11.7629","0.0005","90","","103.892","0.0018","90","","380.85","0.02","150","","150","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Trans-1,4 dimethyl cyclohexane","","- C8 H16 -","- C8 H16 -","- C16 H32 -","2","0.5","FL6205","Bream, Richard; Watkin, David","<i>trans</i>-1,4-Dimethylcyclohexane","Acta Crystallographica Section E","2006","62","2","o414","o415","10.1107/S1600536805042273","","","0.71073","MoKα","","0.0444","0.0444","","0.0914","0.0914","0.0914","","","","","","0.9942","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208059","12.3839","0.0017","12.7864","0.0018","22.274","0.003","89.374","0.002","82.468","0.002","70.221","0.002","3288.2","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1,4,10,19,25,32,41,49,54,60,66,69-dodecakis(trifluoromethyl)- 1,4,10,19,25,32,41,49,54,60,66,69-dodecahydro(C~70~-D~5h(6)~)[5,6]fullerene benzene 2.5-solvate","","- C97 H15 F36 -","- C97 H15 F36 -","- C194 H30 F72 -","2","1","FL6206","Kareev, Ivan E.; Lebedkin, Sergey F.; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.; Boltalina, Olga V.","1,4,10,19,25,32,41,49,54,60,66,69-Dodecakis(trifluoromethyl)-1,4,10,19,25,32,41,49,54,60,66,69-dodecahydro(C~70~-<i>D</i>~5<i>h~(6)</i>)[5,6]fullerene benzene 2.5-solvate","Acta Crystallographica Section E","2006","62","2","o617","o619","10.1107/S1600536806000651","","","0.71073","MoKα","","0.0773","0.0465","","","0.1136","0.1303","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208060","19.092","0.004","12.556","0.003","27.39","0.006","90","","101.249","0.004","90","","6440","2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4,10,14,19,25,35,41,49,60,66,69-Dodecakis(trifluoromethyl)- 1,4,10,14,19,25,35,41,49,60,66,69-dodecahydro(C~70~-D~5h(6)~)[5,6]fullerene benzene disolvate","","- C94 H12 F36 -","- C94 H12 F36 -","- C376 H48 F144 -","4","1","FL6207","Kareev, Ivan E.; Lebedkin, Sergey F.; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.; Boltalina, Olga V.","1,4,10,14,19,25,35,41,49,60,66,69-Dodecakis(trifluoromethyl)- 1,4,10,14,19,25,35,41,49,60,66,69-dodecahydro(<i>C</i>~70~-<i>D</i>~5<i>h~(6)</i>)[5,6]fullerene benzene disolvate","Acta Crystallographica Section E","2006","62","2","o620","o622","10.1107/S1600536806000663","","","0.71073","MoKα","","0.1481","0.054","","","0.112","0.1485","","","","","","0.991","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208061","5.349","0.003","8.023","0.004","6.79","0.003","90","","105.7","0.04","90","","280.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Trimethylammonium bromide","","- C3 H10 Br N -","- C3 H10 Br N -","- C6 H20 Br2 N2 -","2","0.5","FL6208","Hartung, Jens; Kopf, Thomas; Svoboda, Ingrid; Fuess, Hartmut","Trimethylammonium bromide at 100 K","Acta Crystallographica Section E","2006","62","2","o570","o572","10.1107/S1600536805043102","","","0.71073","MoKα","","0.0905","0.048","","","0.0437","0.0503","","","","","","0.889","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208062","13.129","0.001","17.3638","0.0013","9.2648","0.0007","90","","101.189","0.001","90","","2071.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(Biphenyl-4-yl)-3-(4-ethoxyphenyl)-7H-1,2,4- triazolo[3,4-b][1,3,4]thiadiazine","","- C24 H20 N4 O S -","- C24 H20 N4 O S -","- C96 H80 N16 O4 S4 -","4","1","FL6209","San-Nu Zhou; Li-Xue Zhang; Jian-Yu Jin; Hong-Ping Xiao; An-Jiang Zhang","6-(Biphenyl-4-yl)-3-(4-ethoxyphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2006","62","2","o605","o606","10.1107/S1600536806000894","","","0.71073","MoKα","","0.084","0.0691","","","0.1536","0.1618","","","","","","1.191","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208063","6.1695","0.0015","6.6209","0.0016","27.417","0.006","90","","93.212","0.005","90","","1118.2","0.5","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E,E)-N^1^,N^6^-Bis[4-(dimethylamino)benzylidene]hexane-1,6-diamine","","- C24 H34 N4 -","- C24 H34 N4 -","- C48 H68 N8 -","2","0.5","FL6212","Lin, Zhi-Dong; Lin, Zhi-Dong; Liu, Li-Ming; Huang, Ya-Min","(<i>E</i>,<i>E</i>)-<i>N</i>^1^,<i>N</i>^6^-Bis[4-(dimethylamino)benzylidene]hexane-1,6-diamine","Acta Crystallographica Section E","2006","62","2","o833","o835","10.1107/S1600536806002911","","","0.71073","MoKα","","0.1122","0.0619","","","0.1484","0.167","","","","","","0.993","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208064","7.905","0.0001","10.6596","0.0002","12.2642","0.0002","93.2146","0.0007","101.131","0.0008","107.35","0.0007","960.7","0.03","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","(Z)-2-[1-(4-Methylbenzenesulfonyl)-1H-indol-3-ylmethylene]-1- azabicyclo[2.2.2]octan-3-one","","- C23 H22 N2 O3 S -","- C23 H22 N2 O3 S -","- C46 H44 N4 O6 S2 -","2","1","FL6213","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-[1-(4-Methylphenylsulfonyl)-1<i>H</i>-indol-3-ylmethylene]-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section E","2006","62","2","o623","o625","10.1107/S1600536806001103","","","0.71073","MoKα","","0.0455","0.0358","","","0.0894","0.0951","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208065","5.3403","0.0004","19.441","0.0015","7.4446","0.0007","90","","92.378","0.004","90","","772.24","0.11","150","","150","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","trans-1,2-dimethyl-cyclohexane","","- C8 H16 -","- C8 H16 -","- C32 H64 -","4","1","FL6215","Bream, Richard; Watkin, David; Cowley, Andrew","<i>trans</i>-1,2-Dimethylcyclohexane","Acta Crystallographica Section E","2006","62","2","o785","o787","10.1107/S1600536806002741","","","0.71073","MoKα","","0.0828","0.0828","","0.1487","0.1487","0.1487","","","","","","1.0063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208066","7.2392","0.0018","8.6741","0.0015","11.066","0.003","75.286","0.011","88.505","0.015","84.737","0.015","669.2","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxy-4-nitrophenyldiazenyl)phenol monohydrate","","- C13 H13 N3 O5 -","- C13 H13 N3 O5 -","- C26 H26 N6 O10 -","2","1","GH6026","Xiu-Li You; Yan Zhang; De-Chun Zhang","4-(2-Methoxy-4-nitrophenyldiazenyl)phenol monohydrate","Acta Crystallographica Section E","2006","62","2","o668","o670","10.1107/S1600536806001553","","","0.7107","MoKα","","0.0685","0.0552","","","0.1236","0.1307","","","","","","1.136","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208067","16.838","0.009","26.184","0.014","8.419","0.005","90","","90","","90","","3712","4","294","2","294","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-(Carbamoylmethyl)-5-oxopyrrolidin-3-yl acetate","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C128 H192 N32 O64 -","16","1","GH6031","Xin Chen; Zhi Fan; Ming Yu; Zuo-Liang Jing; Chun-Hua Diao; Qi-Liang Deng","1-(Carbamoylmethyl)-5-oxopyrrolidin-3-yl acetate","Acta Crystallographica Section E","2006","62","2","o478","o479","10.1107/S1600536806000122","","","0.71073","MoKα","","0.04","0.0309","","","0.0786","0.0821","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208068","9.4984","0.001","9.4984","0.001","9.4984","0.001","90","","90","","90","","856.94","0.16","298","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","trisodium titanium nitride tris(phosphate)","","- N Na3 O9 P3 Ti -","- N Na3 O9 P3 Ti -","- N4 Na12 O36 P12 Ti4 -","4","0.333333","HB2002","Igor V. Zatovsky; Tatyana V. Vorobjova; Konstantin V. Domasevitch; Ivan V. Ogorodnyk; Nikolay S. Slobodyanik","The mixed-metal nitridophosphate Na~3~TiN(PO~3~)~3~","Acta Crystallographica Section E","2006","62","2","i32","i34","10.1107/S1600536806002376","","","0.71073","MoKα","","","0.0318","","","","0.0785","","","","","","1.064","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208069","14.4849","0.0003","15.8909","0.0001","8.4871","0.0002","90","","90.522","0.002","90","","1953.46","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[1,3-dimethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one]diiodocadmium(II)","","- C12 H24 Cd I2 N4 O2 -","- C12 H24 Cd I2 N4 O2 -","- C48 H96 Cd4 I8 N16 O8 -","4","1","HB2003","Lundberg, Daniel; Eriksson, Lars","Bis[1,3-dimethyl-3,4,5,6-tetrahydropyrimidin-2(1<i>H</i>)-one-κ<i>O</i>]diiodocadmium(II)","Acta Crystallographica Section E","2006","62","2","m400","m401","10.1107/S1600536806003084","","","0.71073","MoKα","","0.05","0.0435","","","0.1046","0.1066","","","","","","1.196","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208070","15.7532","0.0013","9.7237","0.0005","19.1342","0.0015","90","","104.457","0.012","90","","2838.2","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[11,23-Dimethyl-15,19-diaza-3,7-diazoniatricyclo[19.3.1.1^9,13^]trtracosa- 1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-doiolato- κ^4^N^15^,N^19^,O,O']tris(nitrato-κ^2^O,O')samarium(III)","","- C24 H28 N7 O11 Sm -","- C24 H28 N7 O11 Sm -","- C96 H112 N28 O44 Sm4 -","4","1","HB6266","Amaury du Moulinet d'Hardemare; Christian Philouze; Olivier Jarjayes","[11,23-Dimethyl-15,19-diaza-3,7-diazoniatricyclo[19.3.1.1^9,13^]tetracosa-1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-diolato-κ^4^<i>N</i>^15^,<i>N</i>^19^,<i>O</i>,<i>O</i>']tris(nitrato-κ^2^<i>O</i>,<i>O</i>')samarium(III)","Acta Crystallographica Section E","2006","62","2","m227","m228","10.1107/S1600536805041504","","","0.5608","AgKα","","0.0702","0.0702","","0.0793","","0.0793","","","1.608","","","1.608","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208071","8.9269","0.0004","9.659","0.0005","14.439","0.0008","90","","91.073","0.004","90","","1244.78","0.11","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[bis(1,1'-butane-1,4-diyldiimidazole-κN^3^)nickel(II)]-μ- 1,1'-butane-1,4-diyldiimidazole-κ^2^N^3^:N^3'^]","","- C22 H28 N10 Ni S2 -","- C22 H28 N10 Ni S2 -","- C44 H56 N20 Ni2 S4 -","2","0.5","HB6307","Guang-Bo Che; Hong Liu; Chun-Bo Liu; Bo Liu","<i>catena</i>-Poly[[bis(1,1'-butane-1,4-diyldiimidazole-κ<i>N</i>^3^)nickel(II)]-μ-1,1'-butane-1,4-diyldiimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^], a one-dimensional coordination polymer","Acta Crystallographica Section E","2006","62","2","m286","m288","10.1107/S1600536806000900","","","0.71073","MoKα","","0.0477","0.033","","","0.0731","0.083","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208072","8.8936","0.0018","12.23","0.002","16.51","0.003","90","","97.32","0.03","90","","1781.1","0.6","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2-Amino-3,5-dimethylbenzenesulfonato-κN)(2,2'-bipyridine)silver(I)","","- C18 H18 Ag N3 O3 S -","- C18 H18 Ag N3 O3 S -","- C72 H72 Ag4 N12 O12 S4 -","4","1","HB6313","Hai-Yan Liu; Hua Wu; Jian-Fang Ma","(2-Amino-3,5-dimethylbenzenesulfonato-κ<i>N</i>)(2,2'-bipyridine)silver(I)","Acta Crystallographica Section E","2006","62","2","m325","m326","10.1107/S1600536806001589","","","0.71073","MoKα","","0.0553","0.0286","","","0.0562","0.0603","","","","","","0.895","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208073","10.351","0.002","11.125","0.002","18.536","0.004","92.62","0.03","103.14","0.03","100.17","0.03","2037.7","0.8","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","Bis(trimethylenediammonium) hexaaquacopper(II) decavanadate hepatahydrate","","- C6 H50 Cu N4 O41 V10 -","- C6 H50 Cu N4 O41 V10 -","- C12 H100 Cu2 N8 O82 V20 -","2","1","HB6314","Zhao, Qi-Hua; Du, Lin; Fang, Rui-Bing","Bis(trimethylenediammonium) hexaaquacopper(II) decavanadate heptahydrate","Acta Crystallographica Section E","2006","62","2","m360","m362","10.1107/S1600536806002236","","","0.71073","MoKα","","0.0321","0.0276","","","0.0758","0.0785","","","","","","1.006","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2208074","12.5812","0.0003","11.0509","0.0003","12.6024","0.0003","90","","90","","90","","1752.16","0.08","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Caesium sodium bis(formate)","","- C2 H2 Cs Na O4 -","- C2 H2 Cs Na O4 -","- C24 H24 Cs12 Na12 O48 -","12","1.5","HB6315","Alcock, Nathaniel W.; Wilson, Michael P.; Rodger, P. Mark","Caesium sodium bis(formate)","Acta Crystallographica Section E","2006","62","2","m388","m390","10.1107/S1600536806003047","","","0.71073","MoKα","","0.0457","0.034","","","0.085","0.0903","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208075","7.146","0.001","19.213","0.003","11.229","0.002","90","","91.026","0.002","90","","1541.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2,4-Dibromo-6-[(2-dimethylaminoethylimino)methyl]phenolato}(thiocyanato) copper(II)","","- C12 H13 Br2 Cu N3 O S -","- C12 H13 Br2 Cu N3 O S -","- C48 H52 Br8 Cu4 N12 O4 S4 -","4","1","HB6316","Nong Wang; Xiang-En Han; Xiao-Guang Wen","{2,4-Dibromo-6-[(2-dimethylaminoethylimino)methyl]phenolato}(thiocyanato)copper(II)","Acta Crystallographica Section E","2006","62","2","m369","m370","10.1107/S1600536806002613","","","0.71073","MoKα","","0.0844","0.0442","","","0.0898","0.1051","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208076","11.0314","0.0008","4.8234","0.0003","17.8657","0.0015","90","","102.498","0.006","90","","928.09","0.12","297","1","297","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-bis(1-ethylbenzimidazol-2-yl)ethene dihydrate","","- C20 H24 N4 O2 -","- C20 H24 N4 O2 -","- C40 H48 N8 O4 -","2","0.5","HG2001","Robert T. Stibrany; Joseph A. Potenza","The hydrogen-bonding network in (<i>E</i>)-1,2-bis(1-ethylbenzimidazol-2-yl)ethene dihydrate","Acta Crystallographica Section E","2006","62","2","o828","o830","10.1107/S1600536806002662","","","0.71073","MoKα","","0.0955","0.0562","","","0.1205","0.1375","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208077","5.72","0.0011","15.02","0.003","8.434","0.0017","90","","91.46","0.03","90","","724.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1-methyl-1H-imidazole-κN^3^)dithiocyanatocopper(II)","","- C10 H12 Cu N6 S2 -","- C10 H12 Cu N6 S2 -","- C20 H24 Cu2 N12 S4 -","2","0.5","HG6291","Guang-Xue Li; Xue-Su Liu; Xin-Hua Peng; Chun-Xu Lü","Bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)dithiocyanatocopper(II)","Acta Crystallographica Section E","2006","62","2","m259","m261","10.1107/S1600536806000134","","","0.71073","MoKα","","0.0572","0.0341","","","0.1005","0.1139","","","","","","0.971","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208078","11.5961","0.0004","19.9913","0.0005","23.2143","0.0006","90","","90","","90","","5381.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(C)-(2,4-Di-tert-butyl-6-{[(2S)-3,3-dimethyl-1-oxido-2- butyl]iminomethyl}phenolato)ethanol-cis-dioxomolybdenum(VI)","","- C23 H38 Mo N O5 -","- C23 H38 Mo N O5 -","- C184 H304 Mo8 N8 O40 -","8","2","HG6292","Hartung, Jens; Greb, Marco; Svoboda, Ingrid; Fuess, Hartmut","(<i>C</i>)-(2,4-Di-<i>tert</i>-butyl-6-{[(2<i>S</i>)-3,3-dimethyl-1-oxido-2-butyl]iminomethyl}phenolato)ethanol-<i>cis</i>-dioxomolybdenum(VI) at 100 K","Acta Crystallographica Section E","2006","62","2","m275","m277","10.1107/S1600536806000146","","","0.71073","MoKα","","0.0357","0.0331","","","0.08","0.081","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208079","6.8812","0.0013","11.542","0.002","12.747","0.002","107.797","0.003","98.907","0.003","100.972","0.003","921.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Thiadianin","S-[4-(2,2,4-Trimethylchroman-4-yl)phenyl] N,N-dimethylthiocarbamate","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C42 H50 N2 O4 S2 -","2","1","HG6294","Gareth O. Lloyd; Jo Alen; Tia Jacobs; Martin W. Bredenkamp; Elise J. C. de Vries","<i>S</i>-[4-(2,2,4-Trimethylchroman-4-yl)phenyl] <i>N</i>,<i>N</i>-dimethylthiocarbamate","Acta Crystallographica Section E","2006","62","2","o691","o693","10.1107/S160053680600167X","","","0.71073","MoKα","","0.0949","0.0757","","","0.1732","0.1837","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208080","11.973","0.001","5.5395","0.0004","11.9869","0.001","90","","90.158","0.008","90","","795.02","0.11","105","2","105","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-Phenyl-3-amino-1H-pyrazole","","- C9 H9 N3 -","- C9 H9 N3 -","- C36 H36 N12 -","4","2","HG6296","Jaromír Marek; Zdeněk Trávníček; Petr Cankař","3-Amino-1-phenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2006","62","2","o848","o850","10.1107/S1600536806002893","","","0.71073","MoKα","","0.0602","0.0508","","","0.0943","0.0973","","","","","","1.208","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208081","14.386","0.003","14.056","0.003","10.462","0.002","90","","128.97","0.03","90","","1644.8","0.9","105","2","105","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1-Phenyl-5-amino-1H-pyrazole","","- C9 H9 N3 -","- C9 H9 N3 -","- C72 H72 N24 -","8","1","HG6297","Zdeněk Trávníček; Jaromír Marek; Petr Cankař","5-Amino-1-phenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2006","62","2","o851","o853","10.1107/S160053680600290X","","","0.71073","MoKα","","0.061","0.0524","","","0.1424","0.1497","","","","","","1.238","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208082","9.796","0.0007","17.1416","0.0016","11.2536","0.0014","90","","106.699","0.008","90","","1810","0.3","297","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[2-(Benzylsulfanyl)benzylidene]-2-(methylsulfanyl)aniline","","- C21 H19 N S2 -","- C21 H19 N S2 -","- C84 H76 N4 S8 -","4","1","HK2003","Hamaker, Christopher G.; Maryashina, Oksana; Halbach, Dominic P.","<i>N</i>-[2-(Benzylsulfanyl)benzylidene]-2-(methylsulfanyl)aniline","Acta Crystallographica Section E","2006","62","2","o802","o803","10.1107/S1600536806002819","","","0.71073","MoKα","","","0.0428","","","","0.1486","","","","","","1.102","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208083","10.2449","0.0011","9.2512","0.0007","13.7955","0.0014","90","","107.257","0.008","90","","1248.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(3-Methoxyphenyldiazenyl)-2-methylphenol","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","HK6069","Yazıcı, Serap; Albayrak, Çiğdem; Ağar, Erbil; Şenel, İsmet; Büyükgüngör, Orhan","4-(3-Methoxyphenyldiazenyl)-2-methylphenol","Acta Crystallographica Section E","2006","62","2","o521","o522","10.1107/S1600536806000444","","","0.71073","MoKα","","0.0734","0.0479","","","0.1292","0.1384","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208084","6.3486","0.0005","8.9324","0.0005","26.1484","0.0019","90","","90","","90","","1482.83","0.18","193","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1aS,1bS,4aR,4bR,7aS,10R)-Methyl 1a,1b,4a,4b,7a,10,11-octahydro-8-oxo-bis(2- methyl-1,3-oxazino)[6,5,4-cd][4,5,6-de]thiazolo[3,2-a]azepine-3-carboxylate","","- C14 H17 N3 O5 S -","- C14 H17 N3 O5 S -","- C56 H68 N12 O20 S4 -","4","1","HK6070","Hörger, Rolf; Marsch, Michael; Geyer, Armin; Harms, Klaus","(1a<i>S</i>,1b<i>S</i>,4a<i>R</i>,4b<i>R</i>,7a<i>S</i>,10<i>R</i>)-Methyl 1a,1b,4a,4b,7a,8,10,11-octahydro-8-oxo-bis(2-methyl-1,3-oxazino)[6,5,4-<i>cd</i>][4,5,6-<i>de</i>]thiazolo[3,2-<i>a</i>]azepine-10-carboxylate","Acta Crystallographica Section E","2006","62","2","o846","o847","10.1107/S1600536806002534","","","0.71073","MoKα","","","0.0219","","","","0.0517","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208085","8.1918","0.0005","18.4683","0.0012","7.0314","0.0004","90","","98.709","0.001","90","","1051.51","0.11","85","2","85","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","3,3,6,6-Tetraphenyl-<i>trans</i>-tricyclo[3.1.0.0^2,4^]hexane","","- C30 H24 -","- C30 H24 -","- C60 H48 -","2","0.5","HK6071","Clark, George R.; Tonei, Deborah M.; Roper, Warren R.; Wright, L. James","3,3,6,6-Tetraphenyl-<i>trans</i>-tricyclo[3.1.0.0^2,4^]hexane","Acta Crystallographica Section E","2006","62","2","o534","o535","10.1107/S1600536806000092","","","0.71073","MoKα","","0.0636","0.0477","","","0.1106","0.1197","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208086","24.339","0.004","5.9939","0.0009","17.033","0.003","90","","132.189","0.001","90","","1841.1","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(μ-methyl mercaptoacetato-κ^2^S:S)bis[tricarbonyliron(II)]","","- C12 H10 Fe2 O10 S2 -","- C12 H10 Fe2 O10 S2 -","- C48 H40 Fe8 O40 S8 -","4","0.5","HK6073","Jin-Ting Liu; Yu-Chang Du; Lei Zhang; Yan-Jun Mao; Yun-Long Wu","Bis(μ-methyl mercaptoacetato-κ^2^<i>S</i>:<i>S</i>)bis[tricarbonyliron(I)]","Acta Crystallographica Section E","2006","62","2","m237","m238","10.1107/S1600536806000298","","","0.71073","MoKα","","0.0299","0.0273","","","0.0725","0.074","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208087","12.4833","0.0019","11.3559","0.0017","17.112","0.003","90","","111.075","0.002","90","","2263.5","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorobis(1,10-phenanthroline-κ^2^N,N')copper(II) bicarbonate","","- C25 H17 Cl Cu N4 O3 -","- C25 H17 Cl Cu N4 O3 -","- C100 H68 Cl4 Cu4 N16 O12 -","4","1","HK6076","Xiu-Qing Du; Miao-Li Zhu; Fei Gao","Chlorobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) bicarbonate","Acta Crystallographica Section E","2006","62","2","m363","m365","10.1107/S1600536806002546","","","0.71073","MoKα","","0.0736","0.0654","","","0.1775","0.1847","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208088","6.2331","0.0009","16","0.002","27.741","0.004","90","","90","","90","","2766.6","0.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Hydroxy-4-nitrophenyl 4-toluenesulfonate","","- C13 H11 N O6 S -","- C13 H11 N O6 S -","- C104 H88 N8 O48 S8 -","8","1","HK6079","Xiu-Jie Ji; Chun-Bao Li; Chao Liu","3-Hydroxy-4-nitrophenyl 4-toluenesulfonate","Acta Crystallographica Section E","2006","62","2","o753","o754","10.1107/S1600536806002406","","","0.71073","MoKα","","0.0782","0.0415","","","0.1119","0.1358","","","","","","0.998","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208089","30.79","0.03","5.749","0.009","21.293","0.014","90","","97.93","0.07","90","","3733","7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(benzylammonium) tetranitratocuprate(II) dinitrate","","- C28 H40 Cu N10 O18 -","- C28 H40 Cu N10 O18 -","- C112 H160 Cu4 N40 O72 -","4","0.5","IS2001","Rademeyer, Melanie","Tetrakis(benzylammonium) tetranitratocuprate(II) dinitrate","Acta Crystallographica Section E","2006","62","2","m269","m271","10.1107/S1600536806000201","","","0.71073","MoKα","","0.055","0.0433","","","0.1195","0.1268","","","","","","1.083","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208090","6.189","0.002","8.581","0.003","26.669","0.011","90","","96.392","0.005","90","","1407.5","0.9","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 O5 -","- C14 H12 N4 O5 -","- C56 H48 N16 O20 -","4","1","IS2002","Jing, Zuo-Liang; Liu, Yu; Chen, Xin; Ming, Yu","<i>N</i>-(2,4-Dinitrophenyl)-<i>N</i>'-(4-methoxybenzylidene)hydrazine","Acta Crystallographica Section E","2006","62","2","o862","o863","10.1107/S160053680600287X","","","0.71073","MoKα","","0.0455","0.0335","","","0.0884","0.0962","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208091","7.1044","0.0005","15.5318","0.0008","24.6393","0.0002","90","","90","","90","","2718.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(Quinolin-4-yloxy)phthalonitrile","","- C17 H9 N3 O -","- C17 H9 N3 O -","- C136 H72 N24 O8 -","8","1","IS6165","Yu, Hai-Yan; Xue, Jin-Ping; Chen, Nai-Sheng; Huang, Jin-Ling","4-(Quinolin-4-yloxy)phthalonitrile","Acta Crystallographica Section E","2006","62","2","o480","o481","10.1107/S1600536805042893","","","0.71073","MoKα","","0.0746","0.0414","","","0.1125","0.1247","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208092","8.3002","0.0015","16.453","0.003","13.053","0.002","90","","107.391","0.002","90","","1701.1","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-tert-butylchloro(N,N-dimethylcarbamodithioato-κ^2^S,S')tin(IV)","","- C11 H24 Cl N S2 Sn -","- C11 H24 Cl N S2 Sn -","- C44 H96 Cl4 N4 S8 Sn4 -","4","1","IS6166","Li, Feng; Yin, Han-Dong; Zhai, Jun; Wang, Da-Qi","Di-<i>tert</i>-butylchloro(<i>N</i>,<i>N</i>-dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')tin(IV)","Acta Crystallographica Section E","2006","62","2","m300","m301","10.1107/S1600536806001073","","","0.71073","MoKα","","0.0447","0.0325","","","0.0814","0.0922","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208093","12.8542","0.0009","13.3382","0.0011","10.3438","0.0011","90","","99.488","0.002","90","","1749.2","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-(4-Chlorophenyl)-3-(2-ethoxyphenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","","- C18 H15 Cl N4 O S -","- C18 H15 Cl N4 O S -","- C72 H60 Cl4 N16 O4 S4 -","4","1","IS6169","Jian-Yu Jin; Li-Xue Zhang; San-Nu Zhou; Hong-Ping Xiao; An-Jiang Zhang","6-(4-Chlorophenyl)-3-(2-ethoxyphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2006","62","2","o713","o714","10.1107/S1600536805042832","","","0.71073","MoKα","","0.0829","0.0632","","","0.1442","0.1567","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208094","20.279","0.006","8.137","0.002","13.222","0.004","90","","128.673","0.004","90","","1703.4","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Fluorouracil-1-propionic acid","","- C7 H7 F N2 O4 -","- C7 H7 F N2 O4 -","- C56 H56 F8 N16 O32 -","8","1","IS6171","Qu, Jian-Qiang; Jia, Xiao-Fei; Cui, Jian-Zhong; Zhang, Hong; Wang, Liu-Fang","5-Fluorouracil-1-propionic acid","Acta Crystallographica Section E","2006","62","2","o586","o588","10.1107/S1600536806000584","","","0.71073","MoKα","","0.0723","0.0466","","","0.1247","0.1446","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208095","14.7385","0.0017","4.9176","0.0006","12.776","0.0014","90","","103.749","0.002","90","","899.45","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,6-Bis[3-(hydroxymethyl)phenoxy]hexane","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","0.5","IS6174","Xue-Mei Li; Shan-Shan Gu; Shu-Sheng Zhang","1,6-Bis[3-(hydroxymethyl)phenoxy]hexane","Acta Crystallographica Section E","2006","62","2","o487","o488","10.1107/S1600536806000419","","","0.71073","MoKα","","0.0779","0.0597","","","0.1633","0.1777","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208096","14.0151","0.0003","19.8832","0.0004","12.0345","0.0003","90","","98.32","0.0011","90","","3318.3","0.13","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-anilinobenzoato-κO)diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole- κ^2^N^1^,N^1'^)magnesium(II)","","- C32 H30 Mg N6 O6 S2 -","- C32 H30 Mg N6 O6 S2 -","- C128 H120 Mg4 N24 O24 S8 -","4","1","IS6175","Bing-Xin Liu; Jian-Yong Yu; Duan-Jun Xu","Bis(2-anilinobenzoato-κ<i>O</i>)diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>^1^,<i>N</i>^1'^)magnesium(II)","Acta Crystallographica Section E","2006","62","2","m231","m232","10.1107/S1600536806000420","","","0.71073","MoKα","","0.123","0.056","","","0.112","0.137","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208097","9.848","0.002","7.0388","0.0015","16.473","0.003","90","","90.604","0.003","90","","1141.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-3-(4-hydroxybenzylideneamino)butenedinitrile monohydrate","","- C11 H10 N4 O2 -","- C11 H10 N4 O2 -","- C44 H40 N16 O8 -","4","1","IS6177","Shi, Jing-Min; Zhang, Xia; Xu, Hai-Yan; Liu, Lian-Dong","2-Amino-3-(4-hydroxybenzylideneamino)butenedinitrile monohydrate","Acta Crystallographica Section E","2006","62","2","o831","o832","10.1107/S1600536806002923","","","0.71073","MoKα","","0.059","0.0502","","","0.1305","0.1374","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208098","10.261","0.005","8.573","0.004","17.898","0.007","90","","104.415","0.016","90","","1524.9","1.2","298","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Ethylsulfonyl-2-phenylquinoxaline 1,4-dioxide","","- C16 H14 N2 O4 S -","- C16 H14 N2 O4 S -","- C64 H56 N8 O16 S4 -","4","1","IS6179","Fa-Qin Jiang; Yong-Zhou Hu","3-Ethylsulfonyl-2-phenylquinoxaline 1,4-dioxide","Acta Crystallographica Section E","2006","62","2","o649","o650","10.1107/S1600536806001498","","","0.71075","MoKα","","","0.041","","","","0.1099","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208099","13.92","0.003","4.8454","0.0009","12.846","0.002","90","","112.347","0.003","90","","801.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(3-hydroxymethylphenoxy)butane","","- C18 H22 O4 -","- C18 H22 O4 -","- C36 H44 O8 -","2","0.5","IS6181","Xue-Mei Li; Shan-Shan Gu; Shu-Sheng Zhang","1,4-Bis(3-hydroxymethylphenoxy)butane","Acta Crystallographica Section E","2006","62","2","o664","o665","10.1107/S1600536806001504","","","0.71073","MoKα","","0.0664","0.0525","","","0.1449","0.156","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208100","14.048","0.006","5.209","0.002","14.489","0.006","90","","97.369","0.004","90","","1051.5","0.7","205","","205","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cyclobutylamine hemihydrate","","- C8 H20 N2 O -","- C4 H10 N O0.5 -","- C32 H80 N8 O4 -","8","2","JH2001","Allan, D. R.","Cyclobutylamine hemihydrate","Acta Crystallographica Section E","2006","62","2","o751","o752","10.1107/S1600536806002327","","","0.6813","synchrotron","","0.0994","0.0626","","0.0878","0.0715","0.0715","","","","","","1.137","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208101","6.82","0.0012","6.9277","0.0012","27.431","0.005","90","","90","","90","","1296","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-Deacetylhexahydromycoepoxydiene","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","JH6022","Chen, Hai-Yan; Lin, Yong-Cheng; L. L. P. Vrijmoed; E. B. Gareth Jones","(+)-Deacetylhexahydromycoepoxydiene","Acta Crystallographica Section E","2006","62","2","o836","o837","10.1107/S1600536806001723","","","0.71073","MoKα","","0.048","0.0363","","","0.0897","0.0974","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208102","7.0146","0.0006","8.0466","0.0007","30.51","0.003","90","","90.921","0.002","90","","1721.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-{[(1E)-(3,5-Dichloro-2-hydroxyphenyl)methylene]amino}-1,5-dimethyl- 2-phenyl-3H-pyrazol-3(2H)-one","","- C18 H15 Cl2 N3 O2 -","- C18 H15 Cl2 N3 O2 -","- C72 H60 Cl8 N12 O8 -","4","1","JH6032","Ding-Ben Chen; Ling Huang","4-{[(1<i>E</i>)-(3,5-Dichloro-2-hydroxyphenyl)methylene]amino}-1,5-dimethyl-2-phenyl-3<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","2","o757","o758","10.1107/S1600536806001000","","","0.71073","MoKα","","0.0621","0.0472","","","0.1179","0.1355","","","","","","1.138","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208103","8.996","0.002","21.63","0.006","6.16","0.0016","90","","90","","90","","1198.6","0.5","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(1-Cyano-1-methylethyl)-1,2,3-benzothiadiazole-7-carboxamide","","- C11 H10 N4 O S -","- C11 H10 N4 O S -","- C44 H40 N16 O4 S4 -","4","1","JH6033","Zhao, Jian-Zhuang; Liu, Feng-Li; Song, Hai-Bin; Liu, Xiu-Feng; Fan, Zhi-Jin","<i>N</i>-(1-Cyano-1-methylethyl)-1,2,3-benzothiadiazole-7-carboxamide","Acta Crystallographica Section E","2006","62","2","o630","o631","10.1107/S1600536806001012","","","0.71073","MoKα","","0.0396","0.0312","","","0.0736","0.0784","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208104","7.4504","0.0011","12.746","0.002","28.639","0.006","90","","90","","90","","2719.6","0.8","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","inotodiol","(10S,13R,14R)-17-(2-Hydroxy-1,5-dimethylhex-4-enyl)-4,4,10,13,14- pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H- cyclopenta[a]phenanthren-3-ol","","- C30 H50 O2 -","- C30 H50 O2 -","- C120 H200 O8 -","4","1","JH6035","Weifa Zheng; Tong Liu; Changsheng Yao","(10<i>S</i>,13<i>R</i>,14<i>R</i>)-17-(2-Hydroxy-1,5-dimethylhex-4-enyl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-ol","Acta Crystallographica Section E","2006","62","2","o733","o734","10.1107/S1600536806001929","","","0.71073","MoKα","","0.1265","0.0512","","","0.1031","0.1394","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208105","10.1525","0.0014","13.1586","0.0018","14.922","0.002","90","","90","","90","","1993.5","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-(1H-pyrrol-2-ylcarboxamido)propionate","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C72 H96 N16 O24 -","8","1","JH6038","Xiang Chao Zeng; Ying Zhou Cen","Methyl 3-(1<i>H</i>-pyrrol-2-ylcarboxamido)propionate","Acta Crystallographica Section E","2006","62","2","o673","o674","10.1107/S1600536806001954","","","0.71073","MoKα","","0.0993","0.0454","","","0.1026","0.1284","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208106","8.338","0.003","12.741","0.003","8.517","0.002","90","","109.797","0.007","90","","851.3","0.4","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-iodo-benzenesulfonyl chloride","2-iodobenzenesulfonyl chloride","","- C6 H4 Cl I O2 S -","- C6 H4 Cl I O2 S -","- C24 H16 Cl4 I4 O8 S4 -","4","1","JH6039","Stuart D. Robertson; Alexandra M. Z. Slawin; J. Derek Woollins","2-Iodobenzenesulfonyl chloride","Acta Crystallographica Section E","2006","62","2","o744","o745","10.1107/S1600536806002558","","","0.71073","MoKα","","0.0164","0.0158","","","0.0331","0.0334","","","","","","1.129","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208107","7.873","0.004","11.279","0.006","14.048","0.007","81.016","0.011","80.419","0.01","74.95","0.01","1179.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Cyano-3-fluorophenyl (2E)-3-(3-methoxy-4-octyloxyphenyl)acrylate","","- C25 H28 F N O4 -","- C25 H28 F N O4 -","- C50 H56 F2 N2 O8 -","2","1","KP2001","Yong-Ji Xu; Rui Ren; Tong-De Li; Qiang Li; Shu-Sheng Zhang","4-Cyano-3-fluorophenyl (2<i>E</i>)-3-(3-methoxy-4-octyloxyphenyl)acrylate","Acta Crystallographica Section E","2006","62","2","o530","o531","10.1107/S1600536806000481","","","0.71073","MoKα","","0.124","0.0639","","","0.1583","0.1979","","","","","","1.022","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208108","12.7911","0.0009","12.7911","0.0009","26.403","0.004","90","","90","","120","","3741.1","0.7","292","2","292","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","1,3,5-Tris(4-chlorophenyl)-1,3,5-triazinane-2,4,6-trione acetone solvate","","- C25 H21 Cl3 N3 O4 -","- C25 H21 Cl3 N3 O4 -","- C150 H126 Cl18 N18 O24 -","6","0.333333","KP6070","Yan-Ping Luo; Hong-Bin Zhou","1,3,5-Tris(4-chlorophenyl)-1,3,5-triazinane-2,4,6-trione acetone solvate","Acta Crystallographica Section E","2006","62","2","o538","o539","10.1107/S1600536806000365","","","0.71073","MoKα","","0.0608","0.0491","","","0.1076","0.1124","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208109","8.118","0.002","8.2266","0.0017","9.596","0.003","83.5","0.01","77.178","0.013","72.395","0.01","594.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethylenediammonium bis(trihydrogen 1,2,4,5-benzenetetracarboxylate) dihydrate","","- C22 H24 N2 O18 -","- C22 H24 N2 O18 -","- C22 H24 N2 O18 -","1","0.5","KP6074","Li, Xin-Fa; Liu, Dong-Sheng; Luo, Qiu-Yan; Huang, Chang-Cang","Ethylenediammonium bis(trihydrogen 1,2,4,5-benzenetetracarboxylate) dihydrate","Acta Crystallographica Section E","2006","62","2","o460","o462","10.1107/S1600536805042741","","","0.71069","MoKα","","0.078","0.0554","","","0.1519","0.1999","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208110","9.1402","0.0008","11.7266","0.0009","11.8755","0.0009","83.329","0.006","89.061","0.007","78.543","0.007","1239.02","0.18","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","2,4,6-Triisopropyl-N-(6-methoxy-2-methyl-8-quinolyl)benzenesulfonamide","","- C26 H34 N2 O3 S -","- C26 H34 N2 O3 S -","- C52 H68 N4 O6 S2 -","2","1","KP6077","da Silva, Luiz Everson; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","2,4,6-Triisopropyl-<i>N</i>-(6-methoxy-2-methyl-8-quinolyl)benzenesulfonamide","Acta Crystallographica Section E","2006","62","2","o420","o422","10.1107/S1600536805042261","","","0.71073","MoKα","","0.0748","0.051","","","0.139","0.1515","","","","","","0.982","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208111","25.904","0.004","5.9781","0.0011","6.5805","0.0009","90","","100.724","0.017","90","","1001.2","0.3","294","2","294","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Prolinamidium hydrogensquarate","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","1","KP6078","Tsonko Kolev; Denitsa Yancheva; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge","<small>L</small>-Prolinamidium hydrogensquarate","Acta Crystallographica Section E","2006","62","2","o463","o465","10.1107/S1600536805043047","","","0.71073","MoKα","","0.0319","0.031","","","0.0825","0.0831","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208112","13.164","0.0006","15.2531","0.0009","20.5554","0.0011","90","","97.3083","0.0017","90","","4093.8","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,3,5-Tris(4-methylphenyl)benzene","","- C27 H24 -","- C27 H24 -","- C216 H192 -","8","2","KP6079","Li, Zhong-Shui; Chen, Jian-Xin; Huang, Yuan-Biao; Chen, Gu-Rong; Lan, Ting-Yan","1,3,5-Tris(4-methylphenyl)benzene","Acta Crystallographica Section E","2006","62","2","o777","o779","10.1107/S160053680600256X","","","0.71073","MoKα","","0.1593","0.0543","","","0.0877","0.1023","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208113","7.5618","0.0009","17.683","0.002","14.9324","0.0017","90","","100.568","0.002","90","","1962.8","0.4","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Benzylidenehydrazino-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinane 2-oxide","","- C18 H21 N2 O3 P -","- C18 H21 N2 O3 P -","- C72 H84 N8 O12 P4 -","4","1","LH6543","Chang Liu; Yan Yu; Xingyu Yang","2-Benzylidenehydrazino-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinane 2-oxide","Acta Crystallographica Section E","2006","62","2","o536","o537","10.1107/S160053680504184X","","","0.71073","MoKα","","0.0676","0.0531","","","0.1325","0.1405","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208114","8.1701","0.0016","8.6157","0.0017","11.698","0.002","103.58","0.03","104.18","0.03","105.03","0.03","730.9","0.3","288","2","288","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-phosphonomethylcarboxylato-bis[(1,10-phenanthroline)copper(II)] dihydrate","","- C28 H26 Cu2 N4 O12 P2 -","- C28 H26 Cu2 N4 O12 P2 -","- C28 H26 Cu2 N4 O12 P2 -","1","0.5","LH6568","Zhao, Qi-Hua; Du, Lin; Fang, Rui-Bing","Di-μ-phosphonomethylcarboxylato-bis[(1,10-phenanthroline)copper(II)] dihydrate","Acta Crystallographica Section E","2006","62","2","m219","m221","10.1107/S1600536805043126","","","0.71073","MoKα","","0.0268","0.0248","","","0.0768","0.0776","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208115","6.487","0.002","8.314","0.002","39.165","0.006","90","","90","","90","","2112.3","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","strychnidinium succinate","strychnidinium hydrogen 1,2-ethanedicarboxylate","","- C25 H30 N2 O5 -","- C25 H30 N2 O5 -","- C100 H120 N8 O20 -","4","1","LH6569","Maurin, Jan K.; Lis, Tadeusz; Zawadzka, Anna; Czarnocki, Zbigniew","The crystal structure of strychnidine succinate shows similar self-assembly to strychnine salts","Acta Crystallographica Section E","2006","62","2","o694","o696","10.1107/S1600536806001875","","","1.5418","CuKα","","0.0388","0.0333","","","0.0742","0.0769","","","","","","0.996","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208116","16.315","0.006","10.387","0.004","17.768","0.006","90","","111.845","0.005","90","","2794.8","1.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Diphenylphosphino-1,2-dicarba-closo-dodecaborane","","- C26 H30 B10 P2 -","- C26 H30 B10 P2 -","- C104 H120 B40 P8 -","4","1","LH6572","Dao-Peng Zhang; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang","1,2-Bis(diphenylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane","Acta Crystallographica Section E","2006","62","2","o418","o419","10.1107/S1600536805042510","","","0.71073","MoKα","","0.0887","0.0491","","","0.1192","0.1454","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208117","7.171","0.008","10.487","0.012","16.849","0.019","90","","97.284","0.016","90","","1257","2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Hydroxy-1-phosphono-2-(trimethylarsonium-1-yl)ethanephosphonate monohydrate","","- C5 H17 As O8 P2 -","- C5 H17 As O8 P2 -","- C20 H68 As4 O32 P8 -","4","1","LH6574","Michael P. Hudock; Rong Cao; Yonghui Zhang; Scott R. Wilson; Eric Oldfield","1-Hydroxy-1-phosphono-2-(trimethylarsonium-1-yl)ethanephosphonate monohydrate","Acta Crystallographica Section E","2006","62","2","o843","o845","10.1107/S160053680600184X","","","0.71073","MoKα","","0.0545","0.0328","","","0.0817","0.0919","","","","","","0.866","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208118","6.7391","0.0009","10.6986","0.0014","14.5075","0.0019","100.108","0.002","98.961","0.002","106.181","0.002","965.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tris(2-azidoethyl) benzene-1,3,5-tricarboxylate","","- C15 H15 N9 O6 -","- C15 H15 N9 O6 -","- C30 H30 N18 O12 -","2","1","LH6575","Shu-Sheng Zhang; Xiao-Ru Zhang; Min-Hua Xu; Xue-Mei Li","Tris(2-azidoethyl) benzene-1,3,5-tricarboxylate","Acta Crystallographica Section E","2006","62","2","o632","o633","10.1107/S1600536806001152","","","0.71073","MoKα","","0.0865","0.0649","","","0.1699","0.1905","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208119","7.8071","0.0008","12.0975","0.0012","18.312","0.0019","90","","90","","90","","1729.5","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-allyl-16,17a-dioxo-17-aza-D-homoestra-1,3,5(10)-trien-3-ol","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","LH6576","Hema, R.; Parthasarathi, V.; Ranju Bansal; Ravikumar, K.; Sridhar, B.","17-Allyl-16,17a-dioxo-17-aza-<small>D</small>-homoestra-1,3,5(10)-trien-3-ol","Acta Crystallographica Section E","2006","62","2","o653","o655","10.1107/S1600536806001462","","","0.71073","MoKα","","0.0453","0.042","","","0.1066","0.109","","","","","","1.17","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208120","28.878","0.003","8.0015","0.0008","18.7634","0.0018","90","","109.547","0.002","90","","4085.7","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl 7-(N,N-dimethylamino)-3-(2-methoxybenzoyl)indolizine-1,2-dicarbxylate","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C176 H176 N16 O48 -","8","1","LH6577","Hema, R.; Parthasarathi, V.; Ravikumar, K.; Sarkunam, K.; Nallu, M.","Dimethyl 7-(<i>N</i>,<i>N</i>-dimethylamino)-3-(2-methoxybenzoyl)indolizine-1,2-dicarboxylate","Acta Crystallographica Section E","2006","62","2","o706","o707","10.1107/S1600536806001851","","","0.71073","MoKα","","0.0844","0.0602","","","0.1345","0.1465","","","","","","1.117","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208121","10.8099","0.0008","7.2746","0.0005","18.5285","0.0013","90","","94.326","0.001","90","","1452.89","0.18","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ethyl (E)-2-benzoyl-3-phenylpropenoate","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","LH6578","Hema, R.; Parthasarathi, V.; Ravikumar, K.; Sridhar, B.; Pandiarajan, K.","Ethyl (<i>E</i>)-2-benzoyl-3-phenylpropenoate","Acta Crystallographica Section E","2006","62","2","o708","o710","10.1107/S1600536806001863","","","0.71073","MoKα","","0.0379","0.0347","","","0.0984","0.1019","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208122","10.594","0.002","12.512","0.002","15.195","0.002","85.15","0.01","71.34","0.01","70.91","0.01","1802.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Carbonatobis(triphenylphosphine)platinum(II) benzene solvate","","- C43 H36 O3 P2 Pt -","- C43 H36 O3 P2 Pt -","- C86 H72 O6 P4 Pt2 -","2","1","LH6579","Scholz, Stefan; Lerner, Hans-Wolfram; Bolte, Michael","Carbonatobis(triphenylphosphine)platinum(II) benzene solvate: a redetermination","Acta Crystallographica Section E","2006","62","2","m312","m313","10.1107/S1600536806001322","","","0.71073","MoKα","","0.0947","0.0574","","","0.119","0.1264","","","","","","0.948","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208123","19.618","0.002","10.472","0.0008","12.0157","0.0012","90","","91.525","0.004","90","","2467.6","0.4","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4-Benzylidene-3,4-dihydro-1λ^4^-cyclopenta[2,1-b:3,4-b']dithiophene","","- C16 H10 S2 -","- C16 H10 S2 -","- C128 H80 S16 -","8","1","LH6580","Howie, R. Alan; Wardell, James L.","4-Benzylidene-3,4-dihydro-1λ^4^-cyclopenta[2,1-<i>b</i>:3,4-<i>b</i>']dithiophene at 120 K","Acta Crystallographica Section E","2006","62","2","o659","o661","10.1107/S1600536806001346","","","0.71073","MoKα","","0.0958","0.0482","","","0.0966","0.114","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208124","10.2466","0.0014","12.2908","0.0012","20.225","0.003","89.861","0.008","83.883","0.006","75.461","0.007","2450.7","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Hexakis(μ-acetato-κ^2^O,O')hexaisopropoxyhexa-μ~3~-oxo-hexatitanium","","- C30 H60 O24 Ti6 -","- C30 H60 O24 Ti6 -","- C60 H120 O48 Ti12 -","2","1","LH6581","Sui, Ruohong; Charpentier, P. A.; Rizkalla, A. S.; Jennings, M. C.","Hexakis(μ-acetato-κ^2^<i>O</i>,<i>O</i>')hexaisopropoxyhexa-μ~3~-oxo-hexatitanium","Acta Crystallographica Section E","2006","62","2","m373","m375","10.1107/S1600536806002492","","","0.71073","MoKα","","0.235","0.0762","","","0.1418","0.1949","","","","","","0.962","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208125","5.7873","0.0011","21.262","0.003","7.914","0.002","90","","96.38","0.015","90","","967.8","0.3","162","2","162","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","cis,cis-1,2,3,4-tetraphenylbuta-1,3-diene","","- C28 H22 -","- C28 H22 -","- C56 H44 -","2","0.5","LH6582","Bats, Jan W.; Urschel, Birgit","Redetermination of <i>cis</i>,<i>cis</i>-1,2,3,4-tetraphenylbuta-1,3-diene","Acta Crystallographica Section E","2006","62","2","o748","o750","10.1107/S1600536806002078","","","0.71073","MoKα","","0.0596","0.0455","","","0.1139","0.1226","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208126","5.8022","0.0002","7.6865","0.0003","28.3221","0.0012","90","","90","","90","","1263.13","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","benzoic acid β-D-Glucopyranoside","(2S,3S,4R,5R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl benzoate","","- C13 H16 O7 -","- C13 H16 O7 -","- C52 H64 O28 -","4","1","LH6594","He, Xiang-Jiu; Lobkovsky, Emil; Liu, Rui-Hai","(2<i>S</i>*,3<i>S</i>*,4<i>R</i>*,5<i>R</i>*)-3,4,5-Trihydroxy-6-(hydroxymethyl)-3,4,5,6-tetrahydro-2<i>H</i>-pyran-2-yl benzoate","Acta Crystallographica Section E","2006","62","2","o471","o472","10.1107/S1600536805043114","","","0.71073","MoKα","","0.0357","0.0324","","","0.0902","0.0922","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208127","8.014","0.007","11.97","0.012","17.239","0.018","90","","90","","90","","1654","3","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,10-dehydrosalviarin","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","NC2001","Mattia, Carlo Andrea; De Feo, Vincenzo; Quaranta, Emilia; Bisio, Angela; Romussi, Giovanni; Puliti, Raffaella","1,10-Dehydrosalviarin","Acta Crystallographica Section E","2006","62","2","o559","o562","10.1107/S160053680600050X","","","0.71073","MoKα","","0.0658","0.0354","","","0.0658","0.0733","","","","","","1.003","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208128","6.0403","0.0007","17.926","0.002","12.9002","0.0014","90","","92.134","0.002","90","","1395.8","0.3","292","2","292","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(η^5^-Cyclopentadienyl)[η^4^-(exo-5-phenylethynyl)-1,3- cyclopentadienyl]cobalt(II)","","- C18 H15 Co -","- C18 H15 Co -","- C72 H60 Co4 -","4","1","NC6051","Li, Li-Yan; Gan, Quan; Meng, Xiang-Gao; Yu, Guang-Ao; Liu, Sheng-Hua","(η^5^-Cyclopentadienyl)[η^4^-(<i>exo</i>-5-phenylethynyl)-1,3-cyclopentadienyl]cobalt(II)","Acta Crystallographica Section E","2006","62","2","m262","m263","10.1107/S160053680600047X","","","0.71073","MoKα","","0.1095","0.0621","","","0.1408","0.1657","","","","","","1.043","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208129","7.51","0.002","15.531","0.004","6.6809","0.0018","90","","98.057","0.005","90","","771.6","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","catena-Poly[cadmium(II)-di-μ-chloro-μ-4-1H-pyridone-κO:κO]","","- C5 H5 Cd Cl2 N O -","- C5 H5 Cd Cl2 N O -","- C20 H20 Cd4 Cl8 N4 O4 -","4","0.5","NC6058","Englert, Ulli; Schiffers, Stefanie","<i>catena</i>-Poly[cadmium(II)-di-μ-chloro-μ-4-1<i>H</i>-pyridone-κ<i>O</i>:κ<i>O</i>]","Acta Crystallographica Section E","2006","62","2","m194","m195","10.1107/S1600536805042595","","","0.71073","MoKα","","0.0224","0.0211","","","0.0632","0.0644","","","","","","1.398","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208130","10.723","0.002","11.506","0.002","13.192","0.003","90","","99.32","0.03","90","","1606.1","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Azido{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}copper(II)","","- C13 H17 Cl2 Cu N5 O -","- C13 H17 Cl2 Cu N5 O -","- C52 H68 Cl8 Cu4 N20 O4 -","4","1","NC6060","Wei, Yi-Jun; Wang, Feng-Wu","Azido{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}copper(II)","Acta Crystallographica Section E","2006","62","2","m309","m311","10.1107/S1600536806001565","","","0.71073","MoKα","","0.0401","0.0333","","","0.0867","0.0908","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208131","14.5222","0.0019","7.8998","0.001","7.6175","0.001","90","","101.751","0.002","90","","855.58","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorobis[4-(methylsulfanyl)aniline-κN]palladium(II)","","- C14 H18 Cl2 N2 Pd S2 -","- C14 H18 Cl2 N2 Pd S2 -","- C28 H36 Cl4 N4 Pd2 S4 -","2","0.5","NG6268","Pan, Yue-Li; Zhao, Feng; Yang, Song","Dichlorobis[4-(methylsulfanyl)aniline-κ<i>N</i>]palladium(II)","Acta Crystallographica Section E","2006","62","2","m239","m240","10.1107/S1600536806000171","","","0.71073","MoKα","","0.0269","0.0231","","","0.0632","0.0814","","","","","","1.3","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208132","14.0586","0.0003","6.9445","0.0001","21.9664","0.0005","90","","90","","90","","2144.58","0.07","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-dineodymium(III)]","","- C20 H12 Nd2 O12 -","- C20 H12 Nd2 O12 -","- C80 H48 Nd8 O48 -","4","0.5","NG6269","Zhi-Feng Li; Chun-Xiang Wang; Yong Li; Ding-Jian Cai; You-Jun Xiao","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-dineodymium(III)]","Acta Crystallographica Section E","2006","62","2","m251","m252","10.1107/S1600536806000183","","","0.71073","MoKα","","0.0251","0.0239","","","0.0802","0.0813","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208133","14.891","0.002","14.891","","13.296","0.003","90","","90","","120","","2553.3","0.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Tris(ethyldithiocarbamato-κ^2^S,S')cobalt(III)","","- C9 H18 Co N3 S6 -","- C9 H18 Co N3 S6 -","- C54 H108 Co6 N18 S36 -","6","0.333333","NG6274","Gui-Ling Zhang; Yan-Tuan Li; Zhi-Yong Wu","Tris(ethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cobalt(III)","Acta Crystallographica Section E","2006","62","2","m350","m351","10.1107/S1600536806002108","","","0.71073","MoKα","","0.0687","0.0529","","","0.1509","0.1885","","","","","","1.204","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208134","9.615","0.004","9.804","0.004","11.729","0.004","82.58","0.02","80.87","0.02","69.097","0.014","1016.6","0.7","110","","110","","","","","","","","","5","P -1","-P 1","2","","Poly[bis(μ~2~-trans-di-4-pyridylethylene-κ^2^N:N')bis(nitrato-κ^2^O,O') bis(μ~4~-succinato-κ^4^O:O':O'':O''')(μ~4~-succinato- κ^4^O:O:O':O')tetrazinc(II)","","- C36 H32 N6 O18 Zn4 -","- C36 H32 N6 O18 Zn4 -","- C36 H32 N6 O18 Zn4 -","1","0.5","NG6284","Xu, Ji-Yang; Zapata, Fatima; Courtney, Brandy H.; Fronczek, Frank R.; Chen, Banglin","Poly[bis(μ~2~-<i>trans</i>-di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>')bis(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(μ~4~-succinato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')(μ~4~-succinato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')tetrazinc(II)]","Acta Crystallographica Section E","2006","62","2","m382","m384","10.1107/S1600536806002935","","","0.71073","MoKα","","0.095","0.0497","","","0.0752","0.0857","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208135","9.712","0.003","20.379","0.005","10.009","0.003","90","","90.392","0.004","90","","1980.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1-benzoylethyl 4-chlorobenzoate","","- C22 H16 Cl N3 O3 -","- C22 H16 Cl N3 O3 -","- C88 H64 Cl4 N12 O12 -","4","1","OB6605","Jun Wan; Zheng-Zhong Peng; Xue-Mei Li; Shu-Sheng Zhang","2-(1<i>H</i>-1,2,3-Benzotriazol-1-ylmethyl)-1-benzoylethyl 4-chlorobenzoate","Acta Crystallographica Section E","2006","62","2","o634","o636","10.1107/S1600536806001231","","","0.71073","MoKα","","0.0707","0.0463","","","0.1025","0.1159","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208136","26.902","0.005","14.492","0.003","6.057","0.001","90","","101.28","0.03","90","","2315.8","0.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[diaquacalcium(II)]-di-μ-3-carboxyphenoxyacetato] dihydrate]","","- C18 H22 Ca O14 -","- C18 H22 Ca O14 -","- C72 H88 Ca4 O56 -","4","0.5","OM6274","Gao, Shan; Ng, Seik Weng","<i>catena</i>-Poly[[[diaquacalcium(II)]-di-μ-3-carboxyphenoxyacetato] dihydrate]","Acta Crystallographica Section E","2006","62","2","m267","m268","10.1107/S1600536806000493","","","0.71073","MoKα","","0.051","0.045","","","0.127","0.131","","","","","","1.04","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2208137","6.475","0.0002","24.7258","0.0007","7.3573","0.0002","90","","93.2126","0.0002","90","","1176.05","0.06","123","2","","","","","","","","","","6","P 1 c 1","P -2yc","7","","Hexaaqua(4-chloro-3-formylbenzenesulfonato)calcium(II) 4-chloro-3-formylbenzenesulfonate monohydrate","","- C14 H22 Ca Cl2 O15 S2 -","- C14 H22 Ca Cl2 O15 S2 -","- C28 H44 Ca2 Cl4 O30 S4 -","2","1","OM6276","Wallace, Dawn; Reglinski, John; Taylor, Michelle K.; Kennedy, Alan R.","Hexaaqua(4-chloro-3-formylbenzenesulfonato)calcium(II) 4-chloro-3-formylbenzenesulfonate monohydrate","Acta Crystallographica Section E","2006","62","2","m339","m341","10.1107/S160053680600136X","","","0.71073","MoKα","","0.0506","0.0349","","","0.0613","0.0673","","","","","","1.046","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2208138","13.3357","0.0003","9.1867","0.0002","22.798","0.0005","90","","90","","90","","2793.01","0.11","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","[Cu~2~(TCT)~2~(NCMe)~2~](BF~4~)~2~","Bis(μ-thiophene-2-carboxaldehyde thiosemicarbazonato)bis[acetonitrilecopper(I)] bis(tetrafluoroborate)","","- C16 H20 B2 Cu2 F8 N8 S4 -","- C16 H20 B2 Cu2 F8 N8 S4 -","- C64 H80 B8 Cu8 F32 N32 S16 -","4","1","OM6281","Pike, Robert D.; Wiles, Austin B.; Tronic, Tristan A.","Bis(μ-thiophene-2-carbaldehyde thiosemicarbazonato)bis[acetonitrilecopper(I)] bis(tetrafluoroborate)","Acta Crystallographica Section E","2006","62","2","m347","m349","10.1107/S1600536806001887","","","1.54178","CuKα","","0.0574","0.0447","","","0.1051","0.1108","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208139","8.4139","0.0012","9.368","0.0013","15.031","0.002","100.384","0.002","99.487","0.002","102.035","0.002","1114.2","0.3","292","2","292","2","","","","","","","","7","P -1","-P 1","2","","Chloro[(di-tert-butylphosphino)cobaltocenium-κP]gold(I) hexafluorophosphate","","- C18 H27 Au Cl Co F6 P2 -","- C18 H27 Au Cl Co F6 P2 -","- C36 H54 Au2 Cl2 Co2 F12 P4 -","2","1","OM6282","Li, Li-Yan; Ren, Yong; Yu, Guang-Ao; Liu, Sheng-Hua","Chloro[(di-<i>tert</i>-butylphosphino)cobaltocenium-κ<i>P</i>]gold(I) hexafluorophosphate","Acta Crystallographica Section E","2006","62","2","m249","m250","10.1107/S1600536806000341","","","0.71073","MoKα","","0.0484","0.0428","","","0.1093","0.1113","","","","","","1.122","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208140","9.037","0.004","5.59","0.003","17.484","0.008","90","","90.248","0.008","90","","883.2","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Aquabis(1-formyl-2-naphtholato-κ^2^O,O')copper(II)","","- C22 H16 Cu O5 -","- C22 H16 Cu O5 -","- C44 H32 Cu2 O10 -","2","1","OM6286","Yu, Qing; Li, Chun-Ying; Yang, Xiao-E; Bian He-Dong; Liang, Hong","Aquabis(1-formyl-2-naphtholato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2006","62","2","m391","m393","10.1107/S1600536806002674","","","0.71073","MoKα","","0.0768","0.0494","","","0.0925","0.1019","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208141","20.314","0.004","9.2221","0.0018","13.182","0.003","90","","96.34","0.03","90","","2454.4","0.9","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Aquasilver(I),8-hydroxylquinoline-5-sulfonate monohydrate","Aqua(8-hydroxyquinoline-5-sulfonato-κ^2^N,O^8^)silver(I) monohydrate","","- C9 H10 Ag N O6 S -","- C9 H10 Ag N O6 S -","- C72 H80 Ag8 N8 O48 S8 -","8","1","OM6289","Hua Wu; Xian-Wu Dong; Jian-Fang Ma","Aqua(8-hydroxyquinoline-5-sulfonato-κ^2^<i>N</i>,<i>O</i>^8^)silver(I) monohydrate","Acta Crystallographica Section E","2006","62","2","m385","m387","10.1107/S1600536806002947","","","0.71073","MoKα","","0.099","0.0789","","","0.1627","0.1687","","","","","","1.24","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208142","7.645","0.011","7.839","0.011","28.24","0.04","90","","96.349","0.019","90","","1682","4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-Dimethyl-4-(3-nitrobenzylideneamino)-2-phenylpyrazolidin-3-one","","- C18 H16 N4 O3 -","- C18 H16 N4 O3 -","- C72 H64 N16 O12 -","4","1","RN6070","Zheng, Chun-Sheng; Li, Mei; Yang, Nan; Jing, Zuo-Liang","1,5-Dimethyl-4-(3-nitrobenzylideneamino)-2-phenylpyrazolidin-3-one","Acta Crystallographica Section E","2006","62","2","o755","o756","10.1107/S1600536806002352","","","0.71073","MoKα","","0.0972","0.0618","","","0.1807","0.2246","","","","","","0.998","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208143","6.0842","0.0013","8.3402","0.0018","14.593","0.003","90","","96.849","0.004","90","","735.2","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[3-(4-chlorophenyl)oxiran-2-yl](5-naphthyl)methanone","","- C19 H13 Cl O2 -","- C19 H13 Cl O2 -","- C38 H26 Cl2 O4 -","2","1","RN6076","Li-Ping Zhang; Jian Lv; Yong-Mei Wang; Yang Wu","An asymmetric epoxidate: [3-(4-chlorophenyl)oxiran-2-yl](5-naphthyl)methanone","Acta Crystallographica Section E","2006","62","2","o729","o730","10.1107/S160053680600170X","","","0.71073","MoKα","","0.0704","0.0411","","","0.0803","0.0948","","","","","","1.079","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208144","8.802","0.001","9.606","0.002","10.648","0.002","105.46","0.01","105.34","0.01","112.33","0.01","732","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","2,6-Bis(imidazol-1-ylmethyl)-4-methylphenol monohydrate","","- C15 H18 N4 O2 -","- C15 H18 N4 O2 -","- C30 H36 N8 O4 -","2","1","RN6077","Zhou, Yun-Shu; Shen, Hong; Xu, Gang; Huang, Wei; Gou, Shao-Hua","2,6-Bis(imidazol-1-ylmethyl)-4-methylphenol monohydrate","Acta Crystallographica Section E","2006","62","2","o573","o575","10.1107/S1600536806000791","","","0.71073","MoKα","","0.074","0.0521","","","0.1393","0.1505","","","","","","0.995","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208145","24.379","0.006","9.601","0.002","7.991","0.003","90","","90","","90","","1870.4","0.9","173","1","173","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-Methyl-4-phenylbuta-2,3-dien-1-ol","","- C11 H12 O -","- C11 H12 O -","- C88 H96 O8 -","8","2","RZ2001","Lee, Ja-Young; Schürmann, Markus; Preut, Hans; Krause, Norbert","2-Methyl-4-phenylbuta-2,3-dien-1-ol","Acta Crystallographica Section E","2006","62","2","o550","o551","10.1107/S1600536805042960","","","0.71073","MoKα","","0.1766","0.0392","","","0.063","0.0841","","","","","","1.002","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208146","9.823","0.001","10.658","0.001","12.547","0.001","90","","109.1","0.01","90","","1241.3","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline","","- C12 H18 B N O2 -","- C12 H18 B N O2 -","- C48 H72 B4 N4 O8 -","4","1","RZ2002","Batsanov, Andrei S.; Giles, Richard F.; Probert, Michael R.; Smith, Gillian E.; Whiting, Andrew","3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline","Acta Crystallographica Section E","2006","62","2","o466","o468","10.1107/S1600536805043151","","","0.71073","MoKα","","0.0628","0.0427","","","0.1122","0.122","","","","","","1.041","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208147","7.9996","0.0016","8.2377","0.0016","24.153","0.005","90","","90","","90","","1591.6","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[[diaquacalcium(II)]bis[μ-2-oxo-1,2-dihydropyridine-1-acetato]]","","- C14 H16 Ca N2 O8 -","- C14 H16 Ca N2 O8 -","- C56 H64 Ca4 N8 O32 -","4","1","RZ6076","Jing-Gui Zhao; Shan Gao; Zhu-Yan Zhang; Li-Hua Huo; Hui Zhao","<i>catena</i>-Poly[[diaquacalcium(II)]bis[μ-2-oxo-1,2-dihydropyridine-1-acetato]]","Acta Crystallographica Section E","2006","62","2","m278","m280","10.1107/S160053680501473X","","","0.71073","MoKα","","0.0378","0.0303","","","0.07","0.0734","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208148","7.686","0.003","10.801","0.007","12.881","0.009","68.83","0.04","82.67","0.06","83.23","0.05","986","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Thiaminium bis(bisulfate) monohydrate","Thiaminium bis(bisulfate) monohydrate","","- C12 H22 N4 O10 S3 -","- C12 H22 N4 O10 S3 -","- C24 H44 N8 O20 S6 -","2","1","RZ6148","S. Athimoolam; R. K. Rajaram","Thiaminium bis(bisulfate) monohydrate","Acta Crystallographica Section E","2006","62","2","o410","o413","10.1107/S1600536805041620","","","0.71073","MoKα","","0.0483","0.0372","","","0.0992","0.1058","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208149","17.227","0.005","9.618","0.003","7.362","0.002","90","","108.728","0.004","90","","1155.2","0.6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[(2-2'-bipyridine)cadmium(II)]-di-μ-bromo]","","- C10 H8 Br2 Cd N2 -","- C10 H8 Br2 Cd N2 -","- C40 H32 Br8 Cd4 N8 -","4","0.5","RZ6150","Jinyu Han; Jian Fang; Yang Dong; Heying Chang","<i>catena</i>-Poly[[(2,2'-bipyridine)cadmium(II)]-di-μ-bromo]","Acta Crystallographica Section E","2006","62","2","m183","m184","10.1107/S1600536805042911","","","0.71073","MoKα","","0.0437","0.0255","","","0.0558","0.0629","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208150","12.3211","0.0007","12.6398","0.0009","7.5043","0.0005","90","","103.597","0.003","90","","1135.94","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(2,4-dicarboxybenzoato)zinc(II) dihydrate","","- C18 H22 O18 Zn -","- C18 H22 O18 Zn -","- C36 H44 O36 Zn2 -","2","0.5","RZ6159","Li, Xin-Fa; Liu, Dong-Sheng; Xu, Ya-Ping; Huang, Chang-Cang; Xu, Jian-Fu","Tetraaquabis(2,4-dicarboxybenzoato)zinc(II) dihydrate","Acta Crystallographica Section E","2006","62","2","m216","m218","10.1107/S160053680504273X","","","0.71073","MoKα","","0.058","0.0333","","","0.0787","0.102","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208151","17.856","0.007","17.856","0.007","9.955","0.002","90","","90","","90","","3174","1.9","293","2","295","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","2-(Hydroxymethyl)-1,2-benzothiazol-3(2H)-one","","- C8 H7 N O2 S -","- C8 H7 N O2 S -","- C128 H112 N16 O32 S16 -","16","1","RZ6161","Feng-Ling Xu; Qiang Lin","2-(Hydroxymethyl)-1,2-benzothiazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","2","o496","o497","10.1107/S1600536805042753","","","0.71073","MoKα","","0.0715","0.058","","","0.0976","0.1054","","","","","","1.123","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208152","12.4411","0.0015","5.803","0.0007","13.287","0.0016","90","","113.994","0.002","90","","876.37","0.18","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Isopropyl-2-phenoxy-5,6,7,8-tetrahydro-1- benzothieno[2,3-d]pyrimidin-4(3H)-one","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C38 H40 N4 O4 S2 -","2","1","RZ6162","Zeng, Xiao-Hua; Ding, Ming-Wu; He, Hong-Wu","3-Isopropyl-2-phenoxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","2","o532","o533","10.1107/S1600536805042881","","","0.71073","MoKα","","0.0799","0.0601","","","0.153","0.1692","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208153","8.351","0.001","11","0.001","11.097","0.001","69.092","0.002","70.963","0.002","84.048","0.002","900.09","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis{2-[2-(diethylamminio)ethyliminomethyl]-4- nitrophenolato}dimethanolnickel(II) dinitrate","","- C28 H46 N8 Ni O14 -","- C28 H46 N8 Ni O14 -","- C28 H46 N8 Ni O14 -","1","0.5","RZ6163","Chen, Yue","Bis{2-[2-(diethylammonio)ethyliminomethyl]-4-nitrophenolato}dimethanolnickel(II) dinitrate","Acta Crystallographica Section E","2006","62","2","m204","m206","10.1107/S1600536805042807","","","0.71073","MoKα","","0.0868","0.0644","","","0.164","0.1796","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208154","15.9378","0.0013","12.946","0.001","14.5886","0.0012","90","","120.865","0.001","90","","2583.8","0.4","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-[(E)-2-(4-Hydroxyphenyl)ethyliminomethyl]phenol","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C120 H120 N8 O16 -","8","1","RZ6166","Li, Yu-Guang; Zhu, Hai-Liang; Huang, Wei-Qian; Ai, Li","2-[(<i>E</i>)-2-(4-Hydroxyphenyl)ethyliminomethyl]phenol","Acta Crystallographica Section E","2006","62","2","o689","o690","10.1107/S1600536806001905","","","0.71073","MoKα","","0.0753","0.0614","","","0.1867","0.1972","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208155","20.168","0.004","14.737","0.003","16.357","0.003","90","","116.54","0.03","90","","4349.3","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2',2'-Dibenzylideneisophthalohydrazide methanol solvate","","- C23 H22 N4 O3 -","- C23 H22 N4 O3 -","- C184 H176 N32 O24 -","8","1","SG2001","Xue, Min; Liu, Shi-Xiong","2',2'-Dibenzylideneisophthalohydrazide methanol solvate","Acta Crystallographica Section E","2006","62","2","o759","o761","10.1107/S1600536806002297","","","0.71073","MoKα","","0.0739","0.0469","","","0.1377","0.1549","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208156","14.821","0.003","9.656","0.002","8.365","0.002","90","","92.46","0.03","90","","1196","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","N-(2-Chlorophenyl)benzenesulfonamide","","- C12 H10 Cl N O2 S -","- C12 H10 Cl N O2 S -","- C48 H40 Cl4 N4 O8 S4 -","4","1","SG2002","Perlovich, German L.; Tkachev, Valery V.; Schaper, Klaus-Jürgen; Raevsky, Oleg A.","<i>N</i>-(2-Chlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2006","62","2","o780","o782","10.1107/S1600536806002303","","","0.71073","MoKα","","0.0506","0.0347","","","0.0959","0.1003","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208157","10.855","0.002","11.643","0.002","18.002","0.004","90","","90","","90","","2275.2","0.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S)-4-[(1S)-1-(Dibenzylamino)-2-phenylethyl]-1,3,2-dioxathiane","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C100 H108 N4 O12 S4 -","4","1","SG6039","Tan, Bin; Zheng, Jian-Feng; Kong, Xiang-Jiang; Jin, Li-Ren","(3<i>S</i>)-4-[(1<i>S</i>)-1-(Dibenzylamino)-2-phenylethyl]-1,3,2-dioxathiane","Acta Crystallographica Section E","2006","62","2","o425","o426","10.1107/S160053680504242X","","","0.71073","MoKα","","0.0805","0.0716","","","0.2043","0.2154","","","","","","1.046","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208158","14.4859","0.0009","12.5078","0.0007","8.3069","0.0005","90","","90","","90","","1505.1","0.16","295","2","295","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","Poly[bis(μ~2~-pyridyl-2,6-dicarboxylato)nickel(II)disodium(I)]","","- C14 H6 N2 Na2 Ni O8 -","- C14 H6 N2 Na2 Ni O8 -","- C56 H24 N8 Na8 Ni4 O32 -","4","0.5","SG6047","Xiang, Jing; Yin, Ye-Gao; Huang, Xiao-Chun","Poly[bis(μ~2~-pyridine-2,6-dicarboxylato)nickel(II)disodium(I)]","Acta Crystallographica Section E","2006","62","2","m213","m215","10.1107/S1600536805041826","","","0.71073","MoKα","","0.0296","0.0276","","","0.0735","0.0748","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208159","8.346","0.001","9.951","0.001","15.934","0.002","90","","90","","90","","1323.3","0.3","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3α-hydroxy-11αH-guaia-4(15),10(14)-diene-12,6α-olide","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","SG6050","Ying Zhu; Ming, Yang; Zhong, Jian-Jia","A guaianolide-type sesquiterpene lactone","Acta Crystallographica Section E","2006","62","2","o510","o512","10.1107/S1600536805042984","","","0.71073","MoKα","","0.0612","0.0403","","","0.0793","0.0848","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208160","10.172","0.006","9.824","0.005","11.433","0.005","90","","116.99","0.02","90","","1018.1","0.9","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Imidazolium 2,4-dihydroxybenzoate","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C40 H40 N8 O16 -","4","1","SG6052","Dong-Dong Lin; Jia-Geng Liu; Duan-Jun Xu","Imidazolium 2,4-dihydroxybenzoate","Acta Crystallographica Section E","2006","62","2","o451","o452","10.1107/S1600536805043035","","","0.71073","MoKα","","0.045","0.038","","","0.106","0.11","","","","","","1.118","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208161","39.826","0.003","8.1857","0.0006","15.1786","0.001","90","","93.928","0.01","90","","4936.7","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Nitrobenzyl 3-oxo-2-(triphenylphosphoranylidene)butanoate","","- C29 H24 N O5 P -","- C29 H24 N O5 P -","- C232 H192 N8 O40 P8 -","8","1","SG6053","Shi-Jun Li; Jian-Hua Zhong","4-Nitrobenzyl 3-oxo-2-(triphenylphosphoranylidene)butanoate","Acta Crystallographica Section E","2006","62","2","o642","o643","10.1107/S1600536806001280","","","0.71073","MoKα","","0.1009","0.0535","","","0.0857","0.1065","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208162","9.0089","0.0011","8.7859","0.0011","12.7866","0.0016","90","","93.402","0.002","90","","1010.3","0.2","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis[2-(4-pyridyl)ethanesulfonato-κN]copper(II)","","- C14 H24 Cu N2 O10 S2 -","- C14 H24 Cu N2 O10 S2 -","- C28 H48 Cu2 N4 O20 S4 -","2","0.5","SG6054","Qi-Wei Zhang; Yi-Hang Wen","Tetraaquabis[2-(4-pyridyl)ethanesulfonato-κ<i>N</i>]copper(II)","Acta Crystallographica Section E","2006","62","2","m306","m308","10.1107/S1600536806001309","","","0.71073","MoKα","","","0.055","","","0.1393","0.1409","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208163","22.1995","0.0019","7.5606","0.001","11.932","0.0012","90","","91.188","0.007","90","","2002.3","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,6-Dioxaoctane-1,8-diammonium bis(trichloroacetate)","","- C10 H18 Cl6 N2 O6 -","- C10 H18 Cl6 N2 O6 -","- C40 H72 Cl24 N8 O24 -","4","0.5","SG6056","Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","3,6-Dioxaoctane-1,8-diammonium bis(trichloroacetate)","Acta Crystallographica Section E","2006","62","2","o739","o741","10.1107/S1600536806002388","","","0.71073","MoKα","","0.0963","0.0689","","","0.1855","0.2039","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208164","15.371","0.004","23.889","0.006","8.94","0.003","90","","90","","90","","3282.7","1.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N-[tert-Butoxycarbonylglycyl-(Z)-α,β-dehydrophenylalanylglycyl- (E)-α,β-dehydrophenylalanyl]glycine methyl ester dihydrate","","- C30 H39 N5 O10 -","- C30 H39 N5 O10 -","- C120 H156 N20 O40 -","4","1","SG6057","Makowski, Maciej; Lisowski, Marek; Maciąg, Anna; Lis, Tadeusz","<i>N</i>-[<i>tert</i>-Butoxycarbonylglycyl-(<i>Z</i>)-α,β-dehydrophenylalanylglycyl-(<i>E</i>)-α,β-dehydrophenylalanyl]glycine methyl ester dihydrate","Acta Crystallographica Section E","2006","62","2","o807","o810","10.1107/S1600536806002273","","","1.5418","CuKα","","0.1433","0.0721","","","0.0952","0.1142","","","","","","1.177","","","","has coordinates,has Fobs","204125","2020-10-21","18:00:00",""
"2208165","12.462","0.003","21.277","0.005","14.201","0.003","90","","113.045","0.003","90","","3465","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorooctakis(di-2,4-chlorobenzyl)di-μ~2~-methanolato-di-μ~3~-oxo- tetratin(IV)","","- C58 H46 Cl18 O4 Sn4 -","- C58 H46 Cl18 O4 Sn4 -","- C116 H92 Cl36 O8 Sn8 -","2","0.5","SG6058","Gang Li; Handong Yin; Daqi Wang","Dichlorooctakis(di-2,4-chlorobenzyl)di-μ~2~-methanolato-di-μ~3~-oxo-tetratin(IV)","Acta Crystallographica Section E","2006","62","2","m366","m368","10.1107/S160053680600225X","","","0.71073","MoKα","","0.0924","0.0451","","","0.0982","0.1286","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208166","16.982","0.003","6.559","0.003","11.237","0.002","90","","90","","90","","1251.6","0.7","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1-(Adamant-1-yloxy)pyridin-2(1H)-one","","- C15 H18 N O2 -","- C15 H18 N O2 -","- C60 H72 N4 O8 -","4","0.5","SJ2001","Hartung, Jens; Svoboda, Ingrid; Fuess, Hartmut","1-(1-Adamantyloxy)pyridin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","2","o579","o581","10.1107/S1600536805042789","","","0.71073","MoKα","","0.2734","0.082","","","0.2354","0.303","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208167","9.023","0.005","9.023","0.005","14.203","0.005","90","0.005","90","0.005","120","0.005","1001.4","0.9","150","2","150","2","","","","","","","","6","P 3 c 1","P 3 -2 "" c","","","Tris(ethylenediamine)nickel(II) tetraiodocadmate(II)","","- C6 H24 Cd I4 N6 Ni -","- C6 H24 Cd I4 N6 Ni -","- C12 H48 Cd2 I8 N12 Ni2 -","2","0.333333","SJ6176","Sohail, Manzar; Molloy, Kieran C.; Mazhar, Muhammad; G. Kociok-Köhn; Khosa, M. Kaleem","Tris(ethylenediamine)nickel(II) tetraiodocadmate(II)","Acta Crystallographica Section E","2006","62","2","m394","m396","10.1107/S1600536806002522","","","0.71073","MoKα","","","0.0176","","","","0.0391","","","","","","1.17","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208168","14.797","0.004","7.2616","0.0019","15.191","0.004","90","","90","","90","","1632.3","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","bis-pyridino-18-crown-6","3,6,14,17-Tetraoxa-23,24-diazatricyclo[17.3.1.1^8.12^]tetracosa- 1(23),8,10,12(24),19,21-hexaene","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","0.5","SJ6178","Cheng-Juan Li; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang","3,6,14,17-Tetraoxa-23,24-diazatricyclo[17.3.1.1^8.12^]tetracosa-1(23),8,10,12(24),19,21-hexaene (bis-pyridino-18-crown-6)","Acta Crystallographica Section E","2006","62","2","o416","o417","10.1107/S1600536805042522","","","0.71073","MoKα","","0.0429","0.0344","","","0.0846","0.0922","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208169","6.153","0.002","8.455","0.003","13.769","0.004","69.441","0.011","79.673","0.013","87.265","0.014","659.7","0.4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","Poly[[tetra-μ~2~-aqua-diaqua-μ~2~-2,5-dibenzoylterephthalato dipotassium(I)] dihydrate]","","- C22 H28 K2 O14 -","- C22 H28 K2 O14 -","- C22 H28 K2 O14 -","1","0.5","SJ6185","Wang, Dan-Dan; Zhu, Hong-Jun; Shan, Ning; Song, Guang-Liang; Wang, Jin-Tang","Poly[[tetra-μ~2~-aqua-diaqua-μ~2~-2,5-dibenzoylterephthalatodipotassium(I)] dihydrate]","Acta Crystallographica Section E","2006","62","2","m201","m203","10.1107/S1600536805042819","","","0.71073","MoKα","","0.0465","0.0446","","","0.1171","0.1194","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208170","16.164","0.001","30.672","0.002","18.29","0.001","90","","90.03","0.001","90","","9067.9","1","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(trimethylsilylmethyl)(1,4,7-trimethyl-1,4,7-triazacyclononane)yttrium(III)","","- C21 H54 N3 Si3 Y -","- C21 H54 N3 Si3 Y -","- C252 H648 N36 Si36 Y12 -","12","3","SJ6186","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","An octahedrally coordinated trialkylyttrium(III): tris(trimethylsilylmethyl)(1,4,7-trimethyl-1,4,7-triazacyclononane)yttrium(III)","Acta Crystallographica Section E","2006","62","2","m314","m316","10.1107/S1600536806001450","","","0.71073","MoKα","","0.1389","0.0677","","","0.1173","0.1423","","","","","","0.931","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208171","8.5235","0.0008","8.0933","0.0007","12.3116","0.0011","90","","94.681","0.002","90","","846.46","0.13","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","6-(4-Chlorophenyl)-3-(D-gluco-pentitol-1-yl)-7H-1,2,4- triazolo[3,4-b][1,3,4]thiadiazine","","- C15 H17 Cl N4 O5 S -","- C15 H17 Cl N4 O5 S -","- C30 H34 Cl2 N8 O10 S2 -","2","1","SJ6187","Li-Xue Zhang; San-Nu Zhou; Jian-Yu Jin; Mao-Lin Hu; An-Jiang Zhang","6-(4-Chlorophenyl)-3-(<small>D</small>-<i>gluco</i>-pentitol-1-yl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2006","62","2","o434","o436","10.1107/S1600536805042923","","","0.71073","MoKα","","0.0314","0.0299","","","0.0688","0.0697","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208172","5.62","0.0011","14.447","0.003","10.149","0.002","90","","96.04","0.03","90","","819.4","0.3","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","loureirin B","1-(4-Hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one","","- C18 H20 O5 -","- C18 H20 O5 -","- C36 H40 O10 -","2","1","SJ6190","Yong-Bin Lu; Qi-Tai Zheng; Yang Lu","1-(4-Hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one","Acta Crystallographica Section E","2006","62","2","o469","o470","10.1107/S1600536805043138","","","0.71073","MoKα","","0.0771","0.0762","","","0.1835","0.1842","","","","","","1.186","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208173","6.3906","0.0009","13.613","0.002","15.466","0.003","63.894","0.003","81.922","0.004","80.455","0.003","1188","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[bis(4-cyanobenzoato-κO)copper(II)]-di-μ-3-aminopyridine- κ^2^N^1^:N^3^;κ^2^N^3^:N^1^]","","- C26 H20 Cu N6 O4 -","- C26 H20 Cu N6 O4 -","- C52 H40 Cu2 N12 O8 -","2","1","SJ6192","He, Hong-Yin; Zhu, Long-Guan","<i>catena</i>-Poly[[bis(4-cyanobenzoato-κ<i>O</i>)copper(II)]-di-μ-3-aminopyridine-κ^2^<i>N</i>^1^:<i>N</i>^3^;κ^2^<i>N</i>^3^:<i>N</i>^1^]","Acta Crystallographica Section E","2006","62","2","m198","m200","10.1107/S1600536805042820","","","0.71073","MoKα","","0.085","0.057","","","0.124","0.132","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208174","15.52275","0.00016","18.9256","0.0003","6.67375","0.00008","90","","90","","90","","1960.6","0.04","290","","25","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ampicillin trihydrate","6-[D(-)-α-Aminophenylacetamido]penicillanic acid trihydrate","","- C16 H25 N3 O7 S -","- C16 H25 N3 O7 S -","- C64 H100 N12 O28 S4 -","4","1","SU2001","Burley, Jonathan C.; Van de Streek, Jacco; Stephens, Peter W.","Ampicillin trihydrate from synchrotron powder diffraction data","Acta Crystallographica Section E","2006","62","2","o797","o799","10.1107/S1600536806001371","","","0.7003","synchrotron","","","","","","","","","","2.37","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2208175","19.345","0.002","8.1767","0.0009","22.104","0.002","90","","90","","90","","3496.4","0.6","295","1","295","1","","","","","","","","6","C m c a","-C 2ac 2","64","bis(dibenzoylmethanato)di(thiomorpholine)cobalt(II)","bis(1,3-diphenylpropane-1,3-dionato)bis(thiomorpholine)cobalt(II)","","- C38 H40 Co N2 O4 S2 -","- C38 H40 Co N2 O4 S2 -","- C152 H160 Co4 N8 O16 S8 -","4","","SU6258","Nenad Judaš; Ivan Halasz; Dejan-Krešimir Bučar","Self-assembly of bis(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')bis(thiomorpholine-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2006","62","2","m283","m285","10.1107/S1600536806000596","","","0.71073","MoKα","","0.1024","0.0587","","","0.1605","0.1089","","","","","","1.332","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208176","13.9658","0.0014","10.7595","0.0011","9.621","0.003","90","","110.128","0.013","90","","1357.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Phenyl-5-(2-thienyl)-2-pyrazoline-1-thioamide","","- C14 H13 N3 S2 -","- C14 H13 N3 S2 -","- C56 H52 N12 S8 -","4","1","SU6262","Şamil Işık; Yavuz Köysal; Zuhal Özdemir; A. Altan Bilgin","3-Phenyl-5-(2-thienyl)-2-pyrazoline-1-thioamide","Acta Crystallographica Section E","2006","62","2","o491","o493","10.1107/S1600536806000262","","","0.71073","MoKα","","0.0496","0.0323","","","0.0712","0.0759","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208177","10.1398","0.001","11.2092","0.001","13.8008","0.0012","90","","90","","90","","1568.6","0.2","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","trans-Dichlorobis(piperidine-1-carbonitrile)platinum(II)","","- C12 H20 Cl2 N4 Pt -","- C12 H20 Cl2 N4 Pt -","- C48 H80 Cl8 N16 Pt4 -","4","0.5","SU6263","Gushchin, Pavel V.; Bokach, Nadezhda A.; Haukka, Matti; Dmitrieva, Elena S.; Kukushkin, Vadim Yu.","<i>trans</i>-Dichlorobis(piperidine-1-carbonitrile)platinum(II)","Acta Crystallographica Section E","2006","62","2","m244","m246","10.1107/S1600536806000213","","","0.71073","MoKα","","0.058","0.0205","","","0.024","0.0289","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208178","11.927","0.002","11.927","0.001","11.228","0.002","90","","90","","90","","1597.2","0.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[[{2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}iron(III)]-μ-azido]","","- C17 H16 Fe N5 O2 -","- C17 H16 Fe N5 O2 -","- C68 H64 Fe4 N20 O8 -","4","1","SU6264","Sanjun Peng; Tao Yang; Congshan Zhou","<i>catena</i>-Poly[[{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}iron(III)]-μ-azido]","Acta Crystallographica Section E","2006","62","2","m235","m236","10.1107/S1600536806000274","","","0.71073","MoKα","","0.0521","0.0464","","","0.1124","0.116","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208179","7.5213","0.0014","10.507","0.002","14.295","0.003","74.252","0.003","82.692","0.003","70.764","0.003","1025.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Cyano-3-fluorophenyl (2E)-3-(4-heptyloxyphenyl)acrylate","","- C23 H24 F N O3 -","- C23 H24 F N O3 -","- C46 H48 F2 N2 O6 -","2","1","SU6266","Rui Ren; Xue-Mei Li; Qiang Li; Shu-Sheng Zhang","4-Cyano-3-fluorophenyl (2<i>E</i>)-3-(4-heptyloxyphenyl)acrylate","Acta Crystallographica Section E","2006","62","2","o489","o490","10.1107/S1600536806000304","","","0.71073","MoKα","","0.0662","0.0491","","","0.1234","0.1369","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208180","7.5208","0.0015","13.158","0.003","9.5684","0.0019","90","","104.31","0.03","90","","917.5","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Aqua[N,N'-bis(methoxycarbonylmethyl)-3,6-diazaoctanedioato]copper(II) dihydrate","","- C12 H24 Cu N2 O11 -","- C12 H24 Cu N2 O11 -","- C24 H48 Cu2 N4 O22 -","2","1","TK2001","Esterhuysen, Catharine; Bredenkamp, Martin W.; van Kralingen, Leon; Adendorff, Hanelie J.; Jacobs, Edmund P.; Swart, Pieter","Aqua[3,6-bis(methoxycarbonylmethyl)-3,6-diazaoctanedioato]copper(II) dihydrate","Acta Crystallographica Section E","2006","62","2","m355","m357","10.1107/S1600536806001279","","","0.71073","MoKα","","0.038","0.033","","","0.07","0.072","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208181","7.194","0.001","9.859","0.001","25.995","0.006","90","","90","","90","","1843.7","0.5","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Vallesiachotamine","(2S,12βS)-methyl 2-[(1E)-1-formyl-1-propenyl]-1,2,6,7,12,12b-hexahydroindolo[2,3-α]quinolizine- 3-carboxylic acid","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","TK6293","Vencato, Ivo; Silva, Francielly M. da; Oliveira, Cecilia M. A. de; Kato, Lucilia; Tanaka, Clara M. A.; Silva, Cleuza C. da; Sabino, Jose R.","Vallesiachotamine","Acta Crystallographica Section E","2006","62","2","o429","o431","10.1107/S1600536805041553","","","1.5418","CuKα","","0.089","0.046","","","0.126","0.18","","","","","","1.23","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208182","13.021","0.002","13.021","0.002","7.236","0.002","90","","90","","90","","1226.8","0.4","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","Tetraphenyloarsonium aqua-tetrachlorooxorhenate(V)","Tetraphenyloarsonium aqua-tetrachlorooxorhenate(V)","","- C24 H22 As Cl4 O2 Re -","- C24 H22 As Cl4 O2 Re -","- C48 H44 As2 Cl8 O4 Re2 -","2","0.25","TK6296","Siczek, Miłosz; Lis, Tadeusz","Redetermination of tetraphenylarsonium <i>trans</i>-aquatetrachlorooxorhenate(V) at 100 K","Acta Crystallographica Section E","2006","62","2","m358","m359","10.1107/S1600536806001747","","","0.71073","MoKα","","0.021","0.018","","","0.038","0.039","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208183","13.126","0.003","8.531","0.002","8.393","0.002","90","","97.125","0.004","90","","932.6","0.4","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(3,4-dimethoxybenzylidene)ethylenediamine","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C40 H48 N4 O8 -","2","0.5","TK6299","Li, Yu-Guang; Zhu, Hai-Liang; Chen, Xin-Zhi; Xin, Yun-Chuan; Zhu, Yan-Hu","<i>N</i>,<i>N</i>'-Bis(3,4-dimethoxybenzylidene)ethylenediamine","Acta Crystallographica Section E","2006","62","2","o687","o688","10.1107/S1600536806001759","","","0.71073","MoKα","","0.08","0.056","","","0.14","0.152","","","","","","0.94","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208184","11.58","0.002","9.7036","0.0019","17.489","0.004","90","","90.7","0.03","90","","1965.1","0.7","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9-(1-naphthyl)-9H-xanthen-9-ol acetone solvate","","- C26 H22 O3 -","- C26 H22 O3 -","- C104 H88 O12 -","4","2","TK6300","Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion of acetone by 9-(1-naphthyl)-9<i>H</i>-xanthen-9-ol","Acta Crystallographica Section E","2006","62","2","o825","o827","10.1107/S1600536806002820","","","0.71073","MoKα","","0.081","0.049","","","0.11","0.124","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208185","6.9124","0.0014","15.398","0.003","19.778","0.004","90","","90","","90","","2105.1","0.7","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)hydrazono]- 2-(4-nitrophenylsulfanyl)acetate","","- C20 H25 N3 O4 S -","- C20 H25 N3 O4 S -","- C80 H100 N12 O16 S4 -","4","1","TK6303","A. Feddouli; My. Youssef Ait Itto; A. Hasnaoui; A. Riahi; Jean-Claude Daran","Ethyl 2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)hydrazono]-2-(4-nitrophenylsulfanyl)acetate","Acta Crystallographica Section E","2006","62","2","o699","o700","10.1107/S1600536806001796","","","0.71073","MoKα","","0.105","0.089","","","0.232","0.255","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208186","9.3133","0.0007","15.2753","0.0011","12.8037","0.0009","90","","94.263","0.001","90","","1816.5","0.2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Tris(1,10-phenanthroline)manganese(II) bis(hexafluorophosphate)","","- C36 H24 F12 Mn N6 P2 -","- C36 H24 F12 Mn N6 P2 -","- C72 H48 F24 Mn2 N12 P4 -","2","0.5","TK6305","Hwang, In-Chul; Ha, Kwang","Tris(1,10-phenanthroline)manganese(II) bis(hexafluorophosphate)","Acta Crystallographica Section E","2006","62","2","m376","m378","10.1107/S1600536806002753","","","0.71073","MoKα","","0.131","0.077","","","0.159","0.185","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208187","6.433","0.001","19.532","0.002","11.218","0.002","90","","102.52","0.01","90","","1376","0.4","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-[(6-Fluoro-1,3-benzothiazol-2-ylamino)methylene]-2,2-dimethyl-1,3-dioxane- 4,6-dione","","- C14 H11 F N2 O4 S -","- C14 H11 F N2 O4 S -","- C56 H44 F4 N8 O16 S4 -","4","1","TK6307","da Silva, Luiz Everson; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","5-[(6-Fluoro-1,3-benzothiazol-2-ylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2006","62","2","o742","o743","10.1107/S1600536806002248","","","1.5418","CuKα","","0.053","0.035","","","0.086","0.094","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208188","9.3547","0.0007","10.0777","0.0005","28.193","0.002","90","","106.838","0.005","90","","2543.9","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-Benzyl-1-(2,4-dimethoxyphenyl)-3-phenoxyspiro[azetidine-2,3'(3H)- indole]-2',4(1H)-dione","","- C31 H26 N2 O5 -","- C31 H26 N2 O5 -","- C124 H104 N8 O20 -","4","1","TK6308","Şerife Pınar; Mehmet Akkurt; Ali Asghar Jarrahpour; Dariush Khalili; Orhan Büyükgüngör","1'-Benzyl-1-(2,4-dimethoxyphenyl)-3-phenoxyspiro[azetidine-2,3'(3<i>H</i>)-indole]-2',4(1<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","2","o804","o806","10.1107/S1600536806002595","","","0.71073","MoKα","","0.049","0.038","","","0.096","0.102","","","","","","1.05","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208189","9.0723","0.0005","15.1897","0.0008","16.6524","0.0009","90","","91.886","0.001","90","","2293.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[aquatripyridinenickel(II)]-μ-isophthalato]","","- C23 H21 N3 Ni O5 -","- C23 H21 N3 Ni O5 -","- C92 H84 N12 Ni4 O20 -","4","1","WK6070","Yong Wang; Zhong-Min Su; Xiang-Rong Hao; Kui-Zhan Shao; Ya-Hui Zhao","A one-dimensional nickel(II) coordination polymer with pyridine and isophthalate","Acta Crystallographica Section E","2006","62","2","m322","m324","10.1107/S160053680600153X","","","0.71073","MoKα","","0.0893","0.0375","","","0.0663","0.0714","","","","","","1.005","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2208190","13.9304","0.0007","12.0102","0.0006","14.132","0.0007","90","","101.015","0.001","90","","2320.8","0.2","146","2","146","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-pyridinyl-1-oxide)-1κO^1^:2κC^2^;1κC^2^:2κO^1^-bis[(η^4^- cycloocta-1,5-diene)rhodium(I)]","","- C26 H32 N2 O2 Rh2 -","- C26 H32 N2 O2 Rh2 -","- C104 H128 N8 O8 Rh8 -","4","1","WK6072","Rosa Fandos; Marc D. Walter","Bis(μ-pyridinyl-1-oxide)-1κ<i>O</i>^1^:2κ<i>C</i>^2^;1κ<i>C</i>^2^:2κ<i>O</i>^1^-bis[(η^4^-cycloocta-1,5-diene)rhodium(I)]","Acta Crystallographica Section E","2006","62","2","m264","m266","10.1107/S1600536806000523","","","0.71073","MoKα","","0.0368","0.0321","","","0.0803","0.0822","","","","","","1","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2208191","17.889","0.005","12.323","0.003","26.217","0.009","90","","104.848","0.012","90","","5586","3","303","2","303","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorotris(triphenylphosphine)platinum(II) perchlorate dichloromethane disolvate","","- C56 H49 Cl6 O4 P3 Pt -","- C55 H47 Cl4 O4 P3 Pt -","- C220 H188 Cl16 O16 P12 Pt4 -","4","1","WK6073","Ling Zhang; Si-Ling Wu; Qian-Yong Cao; Jing-Hua Liu","Chlorotris(triphenylphosphine)platinum(II) perchlorate dichloromethane disolvate","Acta Crystallographica Section E","2006","62","2","m345","m346","10.1107/S1600536806001826","","","0.71073","MoKα","","0.1173","0.0646","","","0.1494","0.1801","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208192","4.716","0.0009","16.551","0.003","18.466","0.004","90","","90","","90","","1441.4","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Wogonin","5,7-Dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one monohydrate","","- C16 H14 O6 -","- C16 H14 O6 -","- C64 H56 O24 -","4","1","WK6074","Jia-Liang Zhong; Yang Lu; Qi-Tai Zheng","5,7-Dihydroxy-8-methoxy-2-phenyl-4<i>H</i>-chromen-4-one monohydrate","Acta Crystallographica Section E","2006","62","2","o697","o698","10.1107/S1600536806002029","","","0.71073","MoKα","","0.0544","0.0535","","","0.134","0.1349","","","","","","1.227","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2208193","7.974","0.004","9.147","0.005","13.626","0.007","73.11","0.04","89.26","0.04","85.76","0.06","948.3","0.9","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","tetrathallium diniobium undecaselenide","","- Nb2 Se11 Tl4 -","- Nb2 Se11 Tl4 -","- Nb4 Se22 Tl8 -","2","1","WM6114","Christoph L. Teske; Wolfgang Bensch","Tl~4~Nb~2~Se~11~","Acta Crystallographica Section E","2006","62","2","i26","i28","10.1107/S1600536805039723","","","0.71073","MoKα","","0.0781","0.0547","","","0.1518","0.1609","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208194","5.68","0.0003","9.4389","0.0005","4.4656","0.0002","90","","90","","90","","239.41","0.02","173","2","173","2","","","","","","","","4","P m n 21","P 2ac -2","31","","Lead(II) perrhenate(VII) chloride","","- Cl O4 Pb Re -","- Cl O4 Pb Re -","- Cl2 O8 Pb2 Re2 -","2","0.5","WM6124","Charkin, Dmitri O.; Plachinda, Pavel A.; Pervukhina, Natalie V.; Borisov, Stanislav V.; Magarill, Svetlana A.","PbCl(ReO~4~), a derivative of the matlockite (PbFCl) structure","Acta Crystallographica Section E","2006","62","2","i23","i25","10.1107/S1600536805042613","","","0.71073","MoKα","","0.0349","0.0348","","","0.0886","0.0886","","","","","","1.271","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208195","43.176","0.008","16.073","0.002","16.037","0.002","90","","90","","90","","11129","3","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","caesium lantanum chloride oxo-selenate(IV)","Tricaesium undecalanthanum dodecaselenate(IV) dodecachloride","","- Cl12 Cs3 La11 O36 Se12 -","- Cl12 Cs3 La11 O36 Se12 -","- Cl96 Cs24 La88 O288 Se96 -","8","","WM6125","Petr S. Berdonosov; Olga S. Oleneva; Valery A. Dolgikh","Tricaesium undecalanthanum dodecaselenate(IV) dodecachloride","Acta Crystallographica Section E","2006","62","2","i29","i31","10.1107/S1600536806002042","","","0.71073","MoKα","","0.0786","0.044","","","0.083","0.0946","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2208196","9.8888","0.0002","9.8888","0.0002","11.6398","0.0003","90","","90","","120","","985.74","0.04","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","Sodium caesium nonamolybdenum undecasulfide","","- Cs1.14 Mo9 Na2.54 S11 -","- Cs1.138 Mo9 Na2.535 S11 -","- Cs2.276 Mo18 Na5.07 S22 -","2","0.166667","WM6131","Salloum, D.; Gougeon, P.; Potel, M.","Na~2.54~Cs~1.14~Mo~9~S~11~, a quaternary reduced molybdenum sulfide containing Mo~9~ clusters.","Acta Crystallographica, Section E","2006","62","2","35","i37","10.1107/S1600536806002984","","","0.71069","MoKα","","0.0498","0.0288","","","0.0611","0.0665","","","","","","1.155","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2208197","13.2129","0.0012","5.735","0.0005","13.212","0.0012","90","","115.13","","90","","906.39","0.14","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-(4-Chlorophenoxy)-3-isopropyl-5,6,7,8-tetrahydro-2- benzothieno[2,3-d]pyrimidin-4(3H)-one","","- C19 H19 Cl N2 O2 S -","- C19 H19 Cl N2 O2 S -","- C38 H38 Cl2 N4 O4 S2 -","2","1","WN6406","Zeng, Xiao-Hua; Ding, Ming-Wu; He, Hong-Wu","2-(4-Chlorophenoxy)-3-isopropyl-5,6,7,8-tetrahydro-2-benzothieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","2","o731","o732","10.1107/S1600536806001218","","","0.71073","MoKα","","0.0605","0.0517","","","0.1248","0.1303","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208198","7.651","0.003","4.0197","0.0014","26.701","0.009","90","","100.337","0.009","90","","807.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Erythrocentaurin","5-Formyl-2,3-dihydroisocoumarin","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","1","WN6408","Zamarrud; Viqar Uddin Ahmad; Shazia Anjum; M. Qaiser","5-Formyl-2,3-dihydroisocoumarin","Acta Crystallographica Section E","2006","62","2","o405","o407","10.1107/S1600536805042558","","","0.71073","MoKα","","0.0899","0.0686","","","0.1332","0.1426","","","","","","1.169","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208199","7.6985","0.0007","11.7486","0.001","12.0533","0.0008","72.813","0.007","72.868","0.007","80.952","0.008","992.34","0.15","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","5-(4-Chlorophenyl)-7-phenylpyrido[2,3-d]pyrimidine-1,8-dione dimethylformamide solvate","","- C22 H19 Cl N4 O3 -","- C22 H19 Cl N4 O3 -","- C44 H38 Cl2 N8 O6 -","2","1","WN6411","Xiang-Shan Wang; Zhao-Sen Zeng; Mei-Mei Zhang; Yu-Ling Li; Shu-Jiang Tu","5-(4-Chlorophenyl)-7-phenylpyrido[2,3-<i>d</i>]pyrimidine-1,8-dione dimethylformamide solvate","Acta Crystallographica Section E","2006","62","2","o476","o477","10.1107/S1600536806000110","","","0.7107","MoKα","","0.043","0.0377","","","0.0904","0.0941","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208200","15.897","0.003","7.0394","0.0014","21.195","0.003","90","","111.164","0.013","90","","2211.9","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Ethyl-6,6-ethylenedithio-2-(2-methoxyethyl)-7-methoxymethylene- 2,3,4,5,6,7-hexahydro-1,5-methano-1H-azocino[4,3-b]indol-3-one","","- C23 H30 N2 O3 S2 -","- C23 H30 N2 O3 S2 -","- C92 H120 N8 O12 S8 -","4","1","WN6414","Hökelek, Tuncer; Uludağ, Nesimi; Patır, Süleyman","4-Ethyl-6,6-ethylenedithio-2-(2-methoxyethyl)-7-methoxymethylene-2,3,4,5,6,7-hexahydro-1,5-methano-1<i>H</i>-azocino[4,3-<i>b</i>]indol-3-one","Acta Crystallographica Section E","2006","62","2","o791","o793","10.1107/S1600536806002601","","","1.54184","CuKα","","0.1379","0.0631","","","0.148","0.1813","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208201","16.023","0.0014","11.0368","0.001","7.8738","0.0007","90","","101.174","0.002","90","","1366","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-(2,4-Difluorophenyl)-3-(3-hydroxypropyl)-7H-1,2,4- triazolo[3,4-b][1,3,4]thiadiazine","","- C13 H12 F2 N4 O S -","- C13 H12 F2 N4 O S -","- C52 H48 F8 N16 O4 S4 -","4","1","WN6415","Jian-Yu Jin; Li-Xue Zhang; San-Nu Zhou; Hong-Ping Xiao; An-Jiang Zhang","6-(2,4-Difluorophenyl)-3-(3-hydroxypropyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2006","62","2","o794","o796","10.1107/S1600536806002716","","","0.71073","MoKα","","0.0698","0.0624","","","0.1535","0.1655","","","","","","1.265","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208202","6.748","0.004","7.87","0.004","11.474","0.007","99.23","0.04","103","0.05","102.69","0.03","564.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(1RS,4RS)-1-Methoxyspiro[bicyclo[2.2.2]oct-5-ene-2,2'-[1',3']dithiolane]","","- C11 H16 O S2 -","- C11 H16 O S2 -","- C22 H32 O2 S4 -","2","1","WN9163","Gültekin, Zeynep; Adams, Harry; Hökelek, Tuncer","(1<i>RS</i>,4<i>RS</i>)-1-Methoxyspiro[bicyclo[2.2.2]oct-5-ene-2,2'-[1',3']dithiolane]. Corrigendum","Acta Crystallographica Section E","2006","62","2","e6","e7","10.1107/S1600536806003072","","","0.71073","MoKα","","0.0787","0.0584","","","0.1302","0.144","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208203","7.4482","0.0009","9.376","0.0011","13.1365","0.0016","90","","98.82","0.002","90","","906.53","0.19","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(2-hydroxybenzylidene)amino]- 1H-pyrazole-3-carbonitrile","","- C18 H9 Cl2 F3 N4 O -","- C18 H9 Cl2 F3 N4 O -","- C36 H18 Cl4 F6 N8 O2 -","2","1","WW6368","Yang, Zhi-Ping; Zhong, Ping; Shi, Qian","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(2-hydroxybenzylidene)amino]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2006","62","2","o783","o784","10.1107/S1600536806002583","","","0.71073","MoKα","","0.0537","0.0497","","","0.1172","0.1203","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208204","10.351","0.003","12.615","0.003","19.64","0.005","90","","90","","90","","2564.5","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4S)-tert-Butyl 4-dibenzylamino-3-hydroxy-5-phenylpentanoate","","- C29 H35 N O3 -","- C29 H35 N O3 -","- C116 H140 N4 O12 -","4","1","WW6444","Tan, Bin; Zheng, Jian-Feng; Huang, Rong-Bin; Wei, Zan-Bin; Jin, Li-Ren","(3<i>S</i>,4<i>S</i>)-<i>tert</i>-Butyl 4-dibenzylamino-3-hydroxy-5-phenylpentanoate","Acta Crystallographica Section E","2006","62","2","o423","o424","10.1107/S1600536805042728","","","0.71073","MoKα","","0.0709","0.0625","","","0.1693","0.1776","","","","","","1.117","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208205","6.0758","0.0008","18.834","0.0002","13.8603","0.0018","90","","98.53","0.002","90","","1568.5","0.3","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-tert-Butylamino-1-(4-chlorophenyl)-4,4-dimethyl-1H-imidazolin-5(4H)-one","","- C15 H20 Cl N3 O -","- C15 H20 Cl N3 O -","- C60 H80 Cl4 N12 O4 -","4","1","WW6453","Yuan, Ju-Zhen; Chen, Xin-Miao; Huang, Nian-Yu","2-<i>tert</i>-Butylamino-1-(4-chlorophenyl)-4,4-dimethyl-1<i>H</i>-imidazolin-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","2","o717","o718","10.1107/S160053680600211X","","","0.71073","MoKα","","0.0778","0.0487","","","0.1144","0.1227","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208206","13.4851","0.0013","12.7578","0.0012","13.6537","0.0013","90","","104.796","0.002","90","","2271.1","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(19R)-5,19-Bis(acetyloxy)-10,13-dideoxy-10-oxo-5β-enmein","","- C24 H28 O9 -","- C24 H28 O9 -","- C96 H112 O36 -","4","2","WW6454","Shi, Hao; Hu, Wei-Xiao","(19<i>R</i>)-5,19-Bis(acetyloxy)-10,13-dideoxy-10-oxo-5β-enmein","Acta Crystallographica Section E","2006","62","2","o614","o616","10.1107/S1600536806000328","","","0.71073","MoKα","","0.0547","0.0435","","","0.0986","0.1028","","","","","","0.932","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208207","10.867","0.005","5.154","0.002","18.454","0.008","90","","91.528","0.007","90","","1033.2","0.8","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-[6-(5-Formyl-2-methoxyphenoxy)hexyloxy]-4-methoxybenzaldehyde","","- C22 H26 O6 -","- C22 H26 O6 -","- C44 H52 O12 -","2","0.5","WW6460","Han, Jian-Rong; Zhen, Xiao-Li","3-[6-(5-Formyl-2-methoxyphenoxy)hexyloxy]-4-methoxybenzaldehyde","Acta Crystallographica Section E","2006","62","2","o432","o433","10.1107/S1600536805042716","","","0.71073","MoKα","","0.1438","0.0679","","","0.1168","0.1409","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208208","11.622","0.003","7.8368","0.0016","24.017","0.005","90","","90","","90","","2187.5","0.9","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Fluorophenyl)phthalimide","","- C14 H8 F N O2 -","- C14 H8 F N O2 -","- C112 H64 F8 N8 O16 -","8","1","WW6462","Dan Xu; Yu-Quan Shi; Bin Chen; Yu-Hong Cheng; Xu Gao","<i>N</i>-(2-Fluorophenyl)phthalimide","Acta Crystallographica Section E","2006","62","2","o408","o409","10.1107/S1600536805041206","","","0.71073","MoKα","","0.1002","0.0366","","","0.0796","0.1038","","","","","","0.985","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208209","12.019","0.003","5.6824","0.0013","19.049","0.004","90","","99.439","0.004","90","","1283.4","0.5","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-benzyloxy-2-hydroxy-1-phenylethanone","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","WW6465","Shao, Qi-Yun; Shi, Wen-Bo; Zhang, Dan; Li, Chun-Bao","2-Benzyloxy-2-hydroxy-1-phenylethanone","Acta Crystallographica Section E","2006","62","2","o584","o585","10.1107/S1600536805042935","","","0.71073","MoKα","","0.0899","0.0435","","","0.1039","0.1259","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208210","24.218","0.016","6.534","0.004","12.433","0.008","90","","114.872","0.01","90","","1785","2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N,N'-Bis-(4-dimethylaminobenzylidene)ethane-1,2-diamine","","- C20 H26 N4 -","- C20 H26 N4 -","- C80 H104 N16 -","4","0.5","WW6466","Xiao, Li-Jun; Wang, Da-Qi","<i>N</i>,<i>N</i>'-Bis(4-dimethylaminobenzylidene)ethane-1,2-diamine","Acta Crystallographica Section E","2006","62","2","o724","o725","10.1107/S1600536806002091","","","0.71073","MoKα","","0.0796","0.0413","","","0.1006","0.1216","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208211","16.322","0.003","5.4697","0.0009","8.4504","0.0014","90","","101.447","0.003","90","","739.4","0.2","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Hydroxymethyl-4-methylphenol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","WW6471","Chu, Zhao-Lian; Huang, Wei","2-Hydroxymethyl-4-methylphenol","Acta Crystallographica Section E","2006","62","2","o675","o677","10.1107/S1600536806001644","","","0.71073","MoKα","","0.0722","0.0446","","","0.1165","0.126","","","","","","0.92","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208212","13.374","0.005","13.04","0.005","15.742","0.006","90","","90","","90","","2745.4","1.8","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C104 H96 N32 O32 -","8","1","WW6473","Guo, Min-Jie; Sun, Jia-Cui; Jing, Zuo-Liang; Yu, Ming; Chen, Xin","3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate","Acta Crystallographica Section E","2006","62","2","o820","o821","10.1107/S1600536806002509","","","0.71073","MoKα","","0.0565","0.0416","","","0.1138","0.1267","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208213","6.1372","0.0011","7.7339","0.0013","13.152","0.002","87.833","0.002","89.884","0.002","87.135","0.002","623.03","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Hydroxy-3-nitrophenyl benzenesulfonate","","- C12 H9 N O6 S -","- C12 H9 N O6 S -","- C24 H18 N2 O12 S2 -","2","1","WW6474","Ji, Xiu-Jie; Li, Chunbao; Liu, Chao","4-Hydroxy-3-nitrophenyl benzenesulfonate","Acta Crystallographica Section E","2006","62","2","o719","o720","10.1107/S1600536806002121","","","0.71073","MoKα","","0.0407","0.0354","","","0.0928","0.0956","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208214","7.5264","0.0004","10.0492","0.0006","10.4543","0.0005","87.806","0.004","82.513","0.003","86.215","0.003","781.9","0.07","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[[[μ-benzene-1,4-dicarboxylato-bis[tetraaqualutetium(III)]- di-μ-benzene-1,4-dicarboxylato] dihydrate]","","- C24 H32 Lu2 O22 -","- C24 H32 Lu2 O22 -","- C24 H32 Lu2 O22 -","1","0.5","WW6475","Wang, Ping; Li, Zhi-Feng; Song, Le-Ping; Wang, Chun-Xiang; Chen, Ying","<i>catena</i>-Poly[[[μ-benzene-1,4-dicarboxylato-bis[tetraaqualutetium(III)]]-di-μ-benzene-1,4-dicarboxylato] dihydrate]","Acta Crystallographica Section E","2006","62","2","m253","m255","10.1107/S1600536806000225","","","0.71073","MoKα","","0.0303","0.0267","","","0.0642","0.0647","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208215","10.6243","0.0017","10.875","0.0018","14.157","0.002","104.983","0.002","107.084","0.002","91.115","0.002","1502.3","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","Di-μ~2~-chloro-dichlorooctakis(2-fluorobenzyl)di-μ~3~-oxo-tetratin(IV) dihydrate","","- C56 H52 Cl4 F8 O4 Sn4 -","- C56 H52 Cl4 F8 O4 Sn4 -","- C56 H52 Cl4 F8 O4 Sn4 -","1","0.5","XU6073","Gang Li; Handong Yin; Min Hong; Daqi Wang","Di-μ~2~-chloro-dichlorooctakis(2-fluorobenzyl)di-μ~3~-oxo-tetratin(IV) dihydrate","Acta Crystallographica Section E","2006","62","2","m371","m372","10.1107/S1600536806000407","","","0.71073","MoKα","","0.037","0.027","","","0.064","0.071","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208216","9.271","0.003","25.548","0.008","7.793","0.002","90","","97.273","0.005","90","","1831","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[hexaaquabis(μ~3~-pyridine-2,5-dicarboxylato-κ^4^O:O',N:O'')bis(μ~2~- pyridine-2,5-dicarboxylato-κ^3^O:O',N)dieuropium(III)copper(II)] dihydrate]","","- C28 H28 Cu Eu2 N4 O24 -","- C28 H28 Cu Eu2 N4 O24 -","- C56 H56 Cu2 Eu4 N8 O48 -","2","0.5","XU6074","Zhang, Bao-Feng; Xie, Cheng-Zhi; Wang, Xiao-Qing; Shen, Guang-Qiu; Shen, De-Zhong","Poly[[hexaaquabis(μ~3~-pyridine-2,5-dicarboxylato-κ^4^<i>O</i>:<i>O</i>',<i>N</i>:<i>O</i>'')bis(μ~2~-pyridine-2,5-dicarboxylato-κ^3^<i>O</i>:<i>O</i>',<i>N</i>)dieuropium(III)copper(II)] dihydrate]","Acta Crystallographica Section E","2006","62","2","m297","m299","10.1107/S1600536806000948","","","0.71073","MoKα","","0.036","0.027","","","0.058","0.061","","","","","","1.063","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208217","7.554","0.003","7.71","0.003","20.046","0.008","83.486","0.007","84.933","0.006","83.057","0.007","1148.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2,2'-Dithiodisalicylic acid dimethylformamide disolvate","2,2'-Dithiodisalicylic acid dimethylformamide disolvate","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C40 H48 N4 O12 S4 -","2","1","XU6078","Yue-Peng Cai; Feng Sun; Li-Cai Zhu; Qiong-Yan Yu; Mao-Sheng Liu","2,2'-Dithiodisalicylic acid dimethylformamide disolvate","Acta Crystallographica Section E","2006","62","2","o841","o842","10.1107/S160053680600300X","","","0.71073","MoKα","","0.065","0.045","","","0.12","0.133","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208218","7.2084","0.0007","8.9384","0.0008","13.4894","0.0012","95.718","0.002","94.078","0.002","99.206","0.002","850.32","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Dichlorobis(2-methoxymethyl-1-methyl-1H-imidazole-κN)zinc(II)","","- C12 H20 Cl2 N4 O2 Zn -","- C12 H20 Cl2 N4 O2 Zn -","- C24 H40 Cl4 N8 O4 Zn2 -","2","1","XU6089","Chen, Hong-Mei; Sun, Jing-Jia; Chen, Jia-Min; Yang, Shi-Ping","Dichlorobis(2-methoxymethyl-1-methyl-1<i>H</i>-imidazole-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2006","62","2","m229","m230","10.1107/S1600536806000432","","","0.71073","MoKα","","0.055","0.051","","","0.13","0.133","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208219","24.76","0.005","10.963","0.005","16.881","0.005","90","","126.328","0.005","90","","3692","2","291","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-chloro-bis[bis(3-methylisoquinoline-κN)silver(I)]","","- C40 H36 Ag2 Cl2 N4 -","- C40 H36 Ag2 Cl2 N4 -","- C160 H144 Ag8 Cl8 N16 -","4","0.5","XU6093","Xian-Wu Dong; Wei Li; Hai-Yan Liu; Jian-Fang Ma","Di-μ-chloro-bis[bis(3-methylisoquinoline-κ<i>N</i>)silver(I)]","Acta Crystallographica Section E","2006","62","2","m302","m303","10.1107/S1600536806001048","","","0.71069","MoKα","","0.06","0.031","","","0.073","0.096","","","","","","0.876","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208220","11.434","0.002","14.817","0.003","8.7828","0.0018","90","","90","","90","","1488","0.5","291","2","292","2","","","","","","","","5","P b c n","-P 2n 2ab","60","silver(I),bis(8-hydroxyquinoline)","(Quinolin-8-ol-κ^2^N,O)(quinolin-8-olato-κ^2^N,O)silver(I)","","- C18 H13 Ag N2 O2 -","- C18 H13 Ag N2 O2 -","- C72 H52 Ag4 N8 O8 -","4","0.5","XU6094","Hua Wu; Xian-Wu Dong; Hai-Yan Liu; Jian-Fang Ma","(Quinolin-8-ol-κ^2^<i>N</i>,<i>O</i>)(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)silver(I)","Acta Crystallographica Section E","2006","62","2","m281","m282","10.1107/S160053680600095X","","","0.71073","MoKα","","0.049","0.025","","","0.045","0.047","","","","","","0.89","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208221","12.9665","0.0002","6.3132","0.0001","17.6643","0.0003","90","","110.122","0.001","90","","1357.74","0.04","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[ammonium [bis(thiocyanato)gold(I)](Au—Au)]","","- C2 H4 Au N3 S2 -","- C2 H4 Au N3 S2 -","- C16 H32 Au8 N24 S16 -","8","1","XU6095","Coker, Nathan L.; Bedel, Charles E.; Krause, Jeanette A.; Elder, R. C.","<i>catena</i>-Poly[ammonium [bis(thiocyanato)aurate(I)](<i>Au{—</i>Au})]","Acta Crystallographica Section E","2006","62","2","m319","m321","10.1107/S1600536806001577","","","1.54184","CuKα","","0.024","0.022","","","0.058","0.059","","","","","","1.156","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208222","6.0159","0.0014","11.014","0.003","22.347","0.005","90","","90","","90","","1480.7","0.6","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-1-(4-bromobenzylidene)ferrocene","","- C18 H15 Br Fe -","- C18 H15 Br Fe -","- C72 H60 Br4 Fe4 -","4","1","XU6103","Zhao, Zu-Zhi; Li, Lin; Wu, Jie-Ying","(<i>E</i>)-1-(4-Bromobenzylidene)ferrocene","Acta Crystallographica Section E","2006","62","2","m317","m318","10.1107/S1600536806001164","","","0.71073","MoKα","","0.046","0.035","","","0.085","0.089","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208223","18.302","0.003","18.302","0.003","31.099","0.006","90","","90","","120","","9021","3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Hexakis[μ-9-methyl-3-(1H-tetrazol-5-io)-4H-pyrido[1,2-a]pyrimidin-4- onato(2-)]tricadmium(II)","","- C60 H42 Cd3 N36 O6 -","- C60 H42 Cd3 N36 O6 -","- C360 H252 Cd18 N216 O36 -","6","0.166667","XU6104","Jia-Ming, Li; Guo-Ping Yong; Zhao-Peng Yu; Zhi-Yong Wang","Hexakis[μ-9-methyl-3-(1<i>H</i>-tetrazol-5-io)-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-onato(2‒)]tricadmium(II)","Acta Crystallographica Section E","2006","62","2","m327","m328","10.1107/S1600536806001358","","","0.71073","MoKα","","0.048","0.032","","","0.074","0.079","","","","","","0.985","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208224","7.953","0.0012","7.7145","0.0012","12.7627","0.0012","90","","95.76","0.01","90","","779.08","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-(-)-2,3-Dimethoxy-8-oxoberbine","(S)-(-)-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-dibenzo[a,g]quinolizin-8-one","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","YA6273","Gzella, Andrzej; Chrzanowska, Maria; Dreas, Agnieszka; Froelich, Anna","(<i>S</i>)-(‒)-2,3-Dimethoxy-8-oxoberbine","Acta Crystallographica Section E","2006","62","2","o598","o600","10.1107/S1600536806000912","","","1.54178","CuKα","","0.039","0.038","","","0.092","0.093","","","","","","1.1","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208225","8.9346","0.001","10.1613","0.0012","14.8002","0.0016","71.628","0.002","89.328","0.002","79.94","0.002","1254.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Z)-Ethyl 3-(1,3-benzodioxol-5-yl)-2-[(triphenylphosphoranylidene)amino]prop-2-enoate","","- C30 H26 N O4 P -","- C30 H26 N O4 P -","- C60 H52 N2 O8 P2 -","2","1","YA6275","Lai Jiang; Ping Wang; Dong-Jun Jiang; Wei-Ke Su","(<i>Z</i>)-Ethyl 3-(1,3-benzodioxol-5-yl)-2-[(triphenylphosphoranylidene)amino]prop-2-enoate","Acta Crystallographica Section E","2006","62","2","o528","o529","10.1107/S1600536806000195","","","0.71073","MoKα","","0.097","0.072","","","0.146","0.159","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208226","10.016","0.0019","11.323","0.002","15.379","0.003","68.488","0.003","71.162","0.003","84.523","0.003","1535.2","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(1-phenyl-1H-tetrazole-5-ylsulfanylmethyl)benzene","","- C30 H24 N12 S3 -","- C30 H24 N12 S3 -","- C60 H48 N24 S6 -","2","1","YA6277","Wei Wang; Ning-Ning Pan; Bing Zhao","1,3,5-Tris(1-phenyl-1<i>H</i>-tetrazol-5-ylsulfanylmethyl)benzene","Acta Crystallographica Section E","2006","62","2","o603","o604","10.1107/S1600536806000936","","","0.71073","MoKα","","0.087","0.044","","","0.079","0.094","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208227","12.875","0.003","15.037","0.003","13.591","0.003","90","","95.107","0.004","90","","2620.8","1","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(N,N-Di-p-tolylamino)benzaldehyde N',N'-diphenylhydrazone","","- C33 H29 N3 -","- C33 H29 N3 -","- C132 H116 N12 -","4","1","YA6278","He, Li-Li; Li, Xiang-Gao; Xu, De-Shun; Wang, Shi-Rong","4-(<i>N</i>,<i>N</i>-Di-<i>p</i>-tolylamino)benzaldehyde <i>N</i>',<i>N</i>'-diphenylhydrazone","Acta Crystallographica Section E","2006","62","2","o685","o686","10.1107/S1600536806001930","","","0.71073","MoKα","","0.135","0.048","","","","0.126","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208228","9.507","0.0003","15.6817","0.0007","15.3422","0.0006","90","","103.149","0.003","90","","2227.34","0.15","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","fac-Tris(tert-butyl isocyanide)tricarbonylmolybdenum(0)","","- C18 H27 Mo N3 O3 -","- C18 H27 Mo N3 O3 -","- C72 H108 Mo4 N12 O12 -","4","1","AC2003","Imhof, Wolfgang; Halbauer, Kathi; Dönnecke, Daniel; Görls, Helmar","<i>fac</i>-Tris(<i>tert</i>-butyl isocyanide)tricarbonylmolybdenum(0)","Acta Crystallographica Section E","2006","62","3","m462","m464","10.1107/S1600536806004181","","","0.71073","MoKα","","0.0773","0.0515","","","0.1073","0.1171","","","","","","1.095","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208229","7.0637","0.001","11.6334","0.0017","31.08","0.004","90","","90","","90","","2554","0.6","294","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(17S)-2α,3α,18β,23,24-pentahydroxy-19(18\ρightarrow17)-abeo-28- norolean-12-en-21-one","","- C29 H46 O6 -","- C29 H46 O6 -","- C116 H184 O24 -","4","1","AC6229","Pu Liu; Wei Qiao; Wei Jia; Jie Teng; Hong-Quan Duan","(17<i>S</i>)-2α,3α,18β,23,24-Pentahydroxy-19(18\ρightarrow 17)-<i>abeo</i>-28-norolean-12-en-21-one from the rhizome of <i>Phlomis umbrosa</i>","Acta Crystallographica Section E","2006","62","3","o919","o921","10.1107/S1600536806003151","","","0.71073","MoKα","","0.0816","0.0452","","","0.102","0.1185","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208230","6.0985","0.0009","9.502","0.0016","15.318","0.002","74.815","0.012","87.578","0.012","73.355","0.012","820.2","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","3-Phenoxy-1,4-diphenylazetidin-2-one","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C42 H34 N2 O4 -","2","1","AC6230","Mehmet Akkurt; Selvi Karaca; Ali Asghar Jarrahpour; Dariush Khalili; Orhan Büyükgüngör","3-Phenoxy-1,4-diphenylazetidin-2-one","Acta Crystallographica Section E","2006","62","3","o866","o868","10.1107/S160053680600314X","","","0.71073","MoKα","","0.1096","0.0497","","","0.094","0.1141","","","","","","0.929","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208231","6.442","0.003","6.665","0.003","7.757","0.004","72.037","0.007","77.661","0.008","68.409","0.007","292.7","0.2","301","2","301","2","","","","","","","","3","P -1","-P 1","2","","(E,E)-1,8-Dioxacyclotetradeca-3,10-diene-2,9-dione","","- C12 H16 O4 -","- C12 H16 O4 -","- C12 H16 O4 -","1","0.5","AC6231","Samas, Brian; Pflum, Derek A.; Coscia, Rockford W.","(<i>E</i>,<i>E</i>)-1,8-Dioxacyclotetradeca-3,10-diene-2,9-dione","Acta Crystallographica Section E","2006","62","3","o1121","o1122","10.1107/S1600536806005745","","","0.71073","MoKα","","0.046","0.0419","","","0.1193","0.1232","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208232","5.9858","0.0001","13.2104","0.0002","20.4727","0.0003","90","","97.066","0.001","90","","1606.58","0.04","85","2","85","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8'-Methoxy-3H-spiro[1-naphthofuran-2,2'-chromane]","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","AC6233","George R. Clark; Kit Yee Tsang; Margaret A. Brimble","8'-Methoxy-3<i>H</i>-spiro[1-naphthofuran-2,2'-chroman]","Acta Crystallographica Section E","2006","62","3","o1075","o1076","10.1107/S1600536806005125","","","0.71073","MoKα","","0.0793","0.0473","","","0.1073","0.1239","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208233","7.8132","0.0001","7.3784","0.0001","15.8984","0.0001","90","","90.628","0.001","90","","916.47","0.018","84","2","84","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2''S,5''R,7''S)-2-[2'-(2''-Methyl-1'',6''-dioxaspiro[4.5]dec-7''- yl)ethylsulfonyl]-1,3-benzothiazole","","- C18 H23 N O4 S2 -","- C18 H23 N O4 S2 -","- C36 H46 N2 O8 S4 -","2","1","AC6234","George R. Clark; James E. Robinson; Margaret A. Brimble","(2''<i>S</i>,5''<i>R</i>,7''<i>S</i>)-2-[2'-(2''-Methyl-1'',6''-dioxaspiro[4.5]dec-7''-yl)ethylsulfonyl]-1,3-benzothiazole","Acta Crystallographica Section E","2006","62","3","o1187","o1188","10.1107/S1600536806006544","","","0.71073","MoKα","","0.0233","0.0224","","","0.0576","0.0581","","","","","","1.054","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208234","8.9844","0.0016","11.359","0.002","14.785","0.003","90","","103.814","0.002","90","","1465.2","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-6-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","2","AT2002","Jing, Zuo-Liang; Zhang, Qiao-Zhen; Jia, Jia; Yu, Ming","2-Methyl-6-nitroaniline","Acta Crystallographica Section E","2006","62","3","o1155","o1156","10.1107/S1600536806006179","","","0.71073","MoKα","","0.0513","0.0371","","","0.0986","0.1074","","","","","","1.037","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208235","14.44","0.003","10.753","0.002","23.222","0.005","90","","90","","90","","3605.8","1.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis{2-[1-(adamantan-1-yl)ethyliminomethyl]phenolato-κO}dichloromanganese(II)","","- C38 H50 Cl2 Mn N2 O2 -","- C38 H50 Cl2 Mn N2 O2 -","- C152 H200 Cl8 Mn4 N8 O8 -","4","0.5","AT2004","Juan-Lan Huang; Yi-Hang Wen","Bis{2-[1-(adamantan-1-yl)ethyliminomethyl]phenolato-κ<i>O</i>}dichloromanganese(II)","Acta Crystallographica Section E","2006","62","3","m611","m612","10.1107/S1600536806006283","","","0.71073","MoKα","","","0.0424","","","0.1195","0.1296","","","","","","1.061","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208236","12.358","0.005","7.191","0.005","14","0.005","90","","104.382","0.005","90","","1205.1","1.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aminopyridinium 5-formylsalicylate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","AT2005","Shun-Li Li; Jian-Fang Ma; Guang-Ju Ping","2-Aminopyridinium 5-formylsalicylate","Acta Crystallographica Section E","2006","62","3","o1173","o1175","10.1107/S1600536806006313","","","0.71069","MoKα","","0.0719","0.0355","","","0.0668","0.0692","","","","","","0.961","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208237","9.602","0.004","9.962","0.005","10.899","0.005","100.775","0.019","109.714","0.014","93.722","0.018","954.9","0.8","298","1","","","","","","","","","","4","P -1","-P 1","2","","(E)-1-Ethoxycarbonyl-3-[(2-hydroxynaphthalen-1-ylmethyl)phenyliminio]butan-2-ide","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C46 H46 N2 O6 -","2","1","AT6079","Jing-Hua Li; Chui-Pan Lin","(<i>E</i>)-1-Ethoxycarbonyl-2-[(2-hydroxy-1-naphthyl)(phenyl)methyliminio]propan-1-ide","Acta Crystallographica Section E","2006","62","3","o942","o944","10.1107/S1600536806003771","","","0.71075","MoKα","","","0.0495","","","","0.1655","","","","","","1.004","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208238","7.8197","0.0008","10.387","0.001","12.94","0.001","87.547","0.002","74.645","0.002","83.177","0.002","1006.26","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1,5-Bis[(1E)-(2-methoxyphenyl)methylene]thiocarbonohydrazide ethanol solvate","","- C19 H24 N4 O3 S -","- C19 H24 N4 O3 S -","- C38 H48 N8 O6 S2 -","2","1","AT6080","Fang, Xiao-Niu; Xu, Ya-Ping; Guo, Xue-Feng; Zeng, Xi-Rui","1,5-Bis[(1<i>E</i>)-(2-methoxyphenyl)methylene]thiocarbonohydrazide ethanol solvate","Acta Crystallographica Section E","2006","62","3","o1052","o1054","10.1107/S1600536806004983","","","0.71073","MoKα","","0.0833","0.0514","","","0.1396","0.1622","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208239","17.322","0.004","14.451","0.003","17.978","0.004","90","","114.003","0.003","90","","4111.1","1.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,3-Dioxan-2-ylmethyl)triphenylphosphonium bromide monohydrate","","- C22 H24 Br O3 P -","- C22 H24 Br O3 P -","- C176 H192 Br8 O24 P8 -","8","1","AT6081","Wu, Yong-Zhong; Li, Hong-Yun; Yu, Wen-Tao","(1,3-Dioxan-2-ylmethyl)triphenylphosphonium bromide monohydrate","Acta Crystallographica Section E","2006","62","3","o933","o934","10.1107/S1600536806003783","","","0.71073","MoKα","","0.0611","0.044","","","0.1104","0.1188","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208240","12.413","0.003","8.093","0.003","12.77","0.003","90","","101.696","0.017","90","","1256.2","0.6","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Mesylmethoxy-1-(4-nitrophenyl)tetrazole","","- C9 H9 N5 O5 S -","- C9 H9 N5 O5 S -","- C36 H36 N20 O20 S4 -","4","1","AT6082","Lyakhov, Alexander S.; Egorova, Natalia G.; Artamonova, Tatiana V.; Gaponik, Pavel N.; Koldobskii, Grigorii I.","5-Mesylmethoxy-1-(4-nitrophenyl)tetrazole","Acta Crystallographica Section E","2006","62","3","o903","o905","10.1107/S1600536806003837","","","0.71073","MoKα","","0.0503","0.0394","","","0.1104","0.1193","","","","","","1.072","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208241","4.009","0.01","14.59","0.03","11.59","0.03","90","","105.25","0.1","90","","654","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dimethylpyrazin-2(1H)-one","","- C6 H8 N2 O -","- C6 H8 N2 O -","- C24 H32 N8 O4 -","4","1","AT6083","Madeleine Helliwell; You Yun; John A. Joule","Surprising orientation in ring synthesis of 3,5-dimethylpyrazin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","3","o955","o956","10.1107/S160053680600393X","","","0.71069","MoKα","","0.0503","0.0408","","","0.104","0.1102","","","","","","1.099","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208242","7.2814","0.0015","23.65","0.003","9.752","0.005","90","","110.46","0.03","90","","1573.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Benzoyl-5-(4-chlorophenyl)-2-(methylsulfanyl)-1H-imidazole","","- C17 H13 Cl N2 O S -","- C17 H13 Cl N2 O S -","- C68 H52 Cl4 N8 O4 S4 -","4","1","AT6084","Dmitry V. Albov; Victor B. Rybakov; Eugene V. Babaev; Alexander A. Tsisevich","4-Benzoyl-5-(4-chlorophenyl)-2-(methylsulfanyl)-1<i>H</i>-imidazole","Acta Crystallographica Section E","2006","62","3","o963","o965","10.1107/S1600536806004120","","","1.5418","CuKα","","0.1195","0.0483","","","0.0473","0.059","","","","","","0.864","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208243","10.901","0.002","14.493","0.003","21.355","0.003","90","","90","","90","","3373.8","1","286","2","286","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Verticillin A","Verticillin chloroform solvate","","- C31 H29 Cl3 N6 O6 S4 -","- C31 H29 Cl3 N6 O6 S4 -","- C124 H116 Cl12 N24 O24 S16 -","4","1","AV3001","Feiyan Liu; Shihua Wu; Yunlong Chen; Ping Wu","Verticillin chloroform solvate","Acta Crystallographica Section E","2006","62","3","o974","o976","10.1107/S1600536806004284","","","0.71073","MoKα","","0.107","0.0541","","","0.1051","0.1194","","","","","","0.857","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208244","11.266","0.004","9.729","0.004","14.367","0.005","90","","98.341","0.006","90","","1558.1","1","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,6-Dibromo-9-(4-pyridylmethyl)-9H-carbazole","","- C18 H12 Br2 N2 -","- C18 H12 Br2 N2 -","- C72 H48 Br8 N8 -","4","1","BD6024","Duan, Xue-Min; Huang, Peng-Mian; Li, Jiang-Sheng; Zheng, Peng-Wu","3,6-Dibromo-9-(4-pyridylmethyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","3","o1153","o1154","10.1107/S160053680600612X","","","0.71073","MoKα","","0.0619","0.0375","","","0.0984","0.114","","","","","","0.996","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208245","11.995","0.003","10.138","0.003","14.933","0.004","90","","105.081","0.004","90","","1753.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cr(5-SSA)(en)~2~].2H~2~O","Bis(ethylenediamine-κ^2^N,N')(2-oxido-5-sulfonatobenzoato- κ^2^O^1^,O^2^)chromium(III) dihydrate","","- C11 H23 Cr N4 O8 S -","- C11 H23 Cr N4 O8 S -","- C44 H92 Cr4 N16 O32 S4 -","4","1","BD6025","Liu, Bin; Wang, Zhi-Jun; Huang, Shu-Ping; Yang, Bin-Sheng","Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')(2-oxido-5-sulfonatobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)chromium(III) dihydrate","Acta Crystallographica Section E","2006","62","3","m608","m610","10.1107/S1600536806006131","","","0.71073","MoKα","","0.097","0.0866","","","0.1484","0.1519","","","","","","1.314","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208246","7.646","0.002","8.041","0.002","14.086","0.004","96.915","0.004","97.004","0.004","103.057","0.004","827.5","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Poly[diaquadi-μ~5~-succinato-μ~6~-succinato-didysprosium(III)]","","- C12 H16 Dy2 O14 -","- C12 H16 Dy2 O14 -","- C24 H32 Dy4 O28 -","2","1","BH2001","Wang, Chun-Xiang; Li, Yong; Zhang, Qing-Hua; Cai, Ding-Jian; Xie, Xiao-Bing","Poly[diaquadi-μ~5~-succinato-μ~6~-succinato-didysprosium(III)]","Acta Crystallographica Section E","2006","62","3","m545","m547","10.1107/S1600536806002868","","","0.71073","MoKα","","0.0296","0.024","","","0.0594","0.0612","","","","","","0.961","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208247","9.7867","0.0008","10.1883","0.0009","10.9221","0.0009","79.096","0.007","82.11","0.007","89.374","0.007","1059.13","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","μ-Oxalato-bis[chlorotripyridinemanganese(II)] pyridine disolvate","","- C42 H40 Cl2 Mn2 N8 O4 -","- C42 H40 Cl2 Mn2 N8 O4 -","- C42 H40 Cl2 Mn2 N8 O4 -","1","0.5","BH2002","Bolte, Michael","μ-Oxalato-bis[chlorotripyridinemanganese(II)] pyridine disolvate","Acta Crystallographica Section E","2006","62","3","m634","m635","10.1107/S1600536806006568","","","0.71073","MoKα","","0.03","0.0275","","","0.0775","0.0789","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208248","6.1843","0.0017","10.963","0.003","15.572","0.004","86.327","0.005","83.046","0.005","80.221","0.005","1031.7","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","6,6-(3,6-diprop-2-enylpentacyclo[6.2.1.0^2,7^.0^4,10^.0^5,9^]undecane- 3,6-diyldioxy)pentacyclo[6.2.1.0^2,7^.0^4,10^.0^5,9^]undecan-3-one","","- C28 H30 O3 -","- C28 H30 O3 -","- C56 H60 O6 -","2","1","BH6054","Kruger, Hendrik G.; Rademeyer, Melanie; Ramdhani, Reshika","A pentacycloundecane dimer","Acta Crystallographica Section E","2006","62","3","o966","o968","10.1107/S160053680600403X","","","0.71073","MoKα","","0.0566","0.0418","","","0.1175","0.132","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208249","10.15","0.003","17.715","0.004","7.066","0.002","90","","133.075","0.003","90","","928.1","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium 3,5-dinitrobenzoate","","- C7 H3 K N2 O6 -","- C7 H3 K N2 O6 -","- C28 H12 K4 N8 O24 -","4","0.5","BH6060","Yan-Ping Du; Man-Cheng Hu","Potassium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2006","62","3","m496","m497","10.1107/S1600536806004417","","","0.71073","MoKα","","0.044","0.0359","","","0.1215","0.1291","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208250","6.0987","0.0009","7.463","0.001","14.932","0.001","84.18","0.01","89.65","0.01","79.9","0.01","665.6","0.14","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","3-(1,3-Benzodioxol-5-yl)-1-(4-methoxyphenyl)prop-2-enone","","- C17 H14 O4 -","- C17 H14 O4 -","- C34 H28 O8 -","2","1","BH6062","Vencato, Ivo; Andrade, Carlos K. Z.; Silva, Wender A.; Lariucci, Carlito","3-(1,3-Benzodioxol-5-yl)-1-(4-methoxyphenyl)prop-2-enone","Acta Crystallographica Section E","2006","62","3","o1033","o1035","10.1107/S1600536806004600","","","1.5418","CuKα","","0.064","0.0608","","","0.146","0.1651","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208251","7.616","0.001","9.733","0.002","9.902","0.002","73.55","0.02","77.89","0.01","76.57","0.02","676.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(5,1',5'-trimethyl-3,3'-bi-1H-pyrazol-1-yl])acetate","","- C13 H18 N4 O2 -","- C13 H18 N4 O2 -","- C26 H36 N8 O4 -","2","1","BH6063","Attayibat, Ahmed; Radi, Smaail; Ramdani, Abdelkrim; Eddike, Driss; Tillard, Monique; Belin, Claude","Ethyl 2-(5,1',5'-trimethyl-3,3'-bi-1<i>H</i>-pyrazol-1-yl)acetate","Acta Crystallographica Section E","2006","62","3","o1092","o1093","10.1107/S1600536806005290","","","0.71073","MoKα","","0.0687","0.049","","","0.1267","0.1391","","","","","","1.096","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208252","26.099","0.003","7.0229","0.0006","15.8664","0.0019","90","","111.644","0.009","90","","2703.1","0.5","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Z)-6-[(2-Methoxyphenylamino)methylene]-4-methylcyclohexa-2,4-dien-1(2H)-one monohydrate","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C112 H112 N16 O40 -","8","1","BH6064","Odabaşoğlu, Mustafa; Albayrak, Çigdem; Büyükgüngör, Orhan","(<i>Z</i>)-6-[(2-Methoxyphenylamino)methylene]-4-methylcyclohexa-2,4-dien-1(2<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2006","62","3","o1094","o1096","10.1107/S1600536806005435","","","0.71073","MoKα","","0.1027","0.0419","","","0.0883","0.0901","","","","","","0.831","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208253","10.0019","0.0012","10.9043","0.0013","33.233","0.004","90","","96.101","0.002","90","","3604","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(2-methyl-2-phenylpropyl)(2-phthalimidoacetato-κO)tin(IV)","","- C40 H45 N O4 Sn -","- C40 H45 N O4 Sn -","- C160 H180 N4 O16 Sn4 -","4","1","BH6067","Tian, Lai-Jin; Yu, Feng-Yang; Sun, Yu-Xi; Liu, Xi-Cheng","Tris(2-methyl-2-phenylpropyl)(2-phthalimidoacetato-κ<i>O</i>)tin(IV)","Acta Crystallographica Section E","2006","62","3","m488","m489","10.1107/S160053680600448X","","","0.71073","MoKα","","0.0447","0.0374","","","0.0874","0.091","","","","","","1.095","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208254","13.308","0.005","6.08","0.002","26.143","0.01","90","","92.603","0.007","90","","2113.1","1.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-4,4'-Diazastilbene‒4,4'-oxydibenzoic acid (1/1)","","- C26 H20 N2 O5 -","- C26 H20 N2 O5 -","- C104 H80 N8 O20 -","4","0.5","BH6068","Ma, Zhi-Cheng; Ma, Ai-Qing; Wang, Guo-Ping","(<i>E</i>)-4,4'-Diazastilbene‒4,4'-oxydibenzoic acid (1/1)","Acta Crystallographica Section E","2006","62","3","o1165","o1166","10.1107/S1600536806006234","","","0.71073","MoKα","","0.1265","0.0924","","","0.1643","0.178","","","","","","1.227","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208255","15.1535","0.0009","15.1535","0.0009","23.3816","0.0018","90","","90","","90","","5369.1","0.6","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Bis(tetra-n-butylammonium) tetrabromocadmate(II) toluene disolvate","","- C46 H88 Br4 Cd N2 -","- C46 H88 Br4 Cd N2 -","- C184 H352 Br16 Cd4 N8 -","4","0.25","BR6225","Kropidłowska, Anna; Chojnacki, Jarosław; Becker, Barbara","Bis(tetra-<i>n</i>-butylammonium) tetrabromocadmate(II) toluene disolvate","Acta Crystallographica Section E","2006","62","3","m457","m459","10.1107/S1600536806003916","","","0.71073","MoKα","","0.0427","0.0407","","","0.0934","0.0952","","","","","","1.086","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208256","9.4904","0.0004","12.2689","0.0005","16.5644","0.001","90","","97.4327","0.0015","90","","1912.5","0.16","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(1-Phenylsulfonyl-1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol","","- C24 H19 N O3 S -","- C24 H19 N O3 S -","- C96 H76 N4 O12 S4 -","4","1","BT2002","Dockendorff, Chris; Lautens, Mark; Lough, Alan J.","2-(1-Phenylsulfonyl-1<i>H</i>-indol-3-yl)-1,2-dihydronaphthalen-1-ol","Acta Crystallographica Section E","2006","62","3","o1030","o1032","10.1107/S1600536806004776","","","0.71073","MoKα","","0.1171","0.0576","","","0.1297","0.1546","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208257","9.9732","0.0006","14.3281","0.0008","17.0425","0.0008","71.723","0.005","79.277","0.004","69.875","0.005","2162.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[2,4,6-triisopropyl-N-(quinolin-8-yl)benzenesulfonamidato-κ^2^N,N']zinc(II)","","- C48 H58 N4 O4 S2 Zn -","- C48 H58 N4 O4 S2 Zn -","- C96 H116 N8 O8 S4 Zn2 -","2","1","BT2003","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","Bis[2,4,6-triisopropyl-<i>N</i>-(quinolin-8-yl)benzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']zinc(II)","Acta Crystallographica Section E","2006","62","3","m516","m517","10.1107/S1600536806004855","","","0.71073","MoKα","","0.0448","0.0391","","","0.0982","0.1021","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208258","14.101","0.002","16.823","0.002","13.172","0.002","90","","102.35","0.01","90","","3052.4","0.7","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[4-nitro-N-(quinolin-8-yl)benzenesulfonamidato-κ^2^N,N']copper(II)","","- C30 H20 Cu N6 O8 S2 -","- C30 H20 Cu N6 O8 S2 -","- C120 H80 Cu4 N24 O32 S8 -","4","0.5","BT2004","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","Bis[4-nitro-<i>N</i>-(quinolin-8-yl)benzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']copper(II)","Acta Crystallographica Section E","2006","62","3","m518","m519","10.1107/S1600536806004867","","","1.5418","CuKα","","0.0949","0.0707","","","0.1766","0.2023","","","","","","1.055","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208259","5.408","0.005","18.013","0.005","13.114","0.005","90","","100.717","0.005","90","","1255.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(5-Bromothiazol-2-ylaminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione ?","","- C10 H9 Br N2 O4 S -","- C10 H9 Br N2 O4 S -","- C40 H36 Br4 N8 O16 S4 -","4","1","BT2008","Silva, Luiz Everson da; Joussef, Antonio Carlos; Andrighetti-Fröhner, Carla Regina; Nunes, Ricardo José; Bortoluzzi, Adailton José","5-(5-Bromothiazol-2-ylaminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2006","62","3","o1062","o1063","10.1107/S1600536806005307","","","0.71069","MoKα","","0.1226","0.0408","","","0.0862","0.1032","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208260","5.282","0.005","10.49","0.005","11.558","0.007","83.95","0.06","84.31","0.07","81.14","0.06","627","0.8","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","Butyl 3-(3,4-dihydroxyphenyl)prop-2-enoate","","- C13 H16 O4 -","- C13 H16 O4 -","- C26 H32 O8 -","2","1","BT2009","Chun-Nian Xia; Wei-Xiao Hu; Wei Zhou","Butyl 3-(3,4-dihydroxyphenyl)prop-2-enoate","Acta Crystallographica Section E","2006","62","3","o1112","o1113","10.1107/S1600536806005484","","","0.71073","MoKα","","0.1118","0.0677","","","0.1773","0.2133","","","","","","1.023","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208261","10.653","0.001","11.427","0.001","17.337","0.002","91.124","0.002","100.81","0.002","100.191","0.002","2037.3","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","2-Phenyl-1,11a,3,4-dicyclohexanotetrahydropyrido[1,2b]-benzoxazine","11-Phenyl-7,8,9,10,10a,11,12,13,14,15-decaydro-5H-3,1-benzoxazino[2,1-e]acridine","","- C26 H29 N O -","- C26 H29 N O -","- C104 H116 N4 O4 -","4","2","BT2011","Kaminskiia, Vladimir A.; Slabkoa, Oleg Yu.; Kachanova, Andrey V.; Gerasimenko, Andrey V.; Ng, Seik Weng","11-Phenyl-7,8,9,10,10a,11,12,13,14,15-decahydro-5<i>H</i>-3,1-benzoxazino[2,1-<i>e</i>]acridine","Acta Crystallographica Section E","2006","62","3","o1110","o1111","10.1107/S1600536806005472","","","0.71073","MoKα","","0.068","0.046","","","0.112","0.133","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208262","12.1117","0.0019","12.1117","0.0019","24.475","0.006","90","","90","","90","","3590.3","1.2","223","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Hexaimidazolium tetrachloromanganese(II) hexachloromanganese(II)","","- C18 H30 Cl10 Mn2 N12 -","- C18 H30 Cl10 Mn2 N12 -","- C72 H120 Cl40 Mn8 N48 -","4","0.25","BT2012","Zhang, Hui; Chen, Pu; Fang, Liang","Hexaimidazolium tetrachloromanganate(II) hexachloromanganate(II)","Acta Crystallographica Section E","2006","62","3","m658","m660","10.1107/S1600536806006751","","","0.71073","MoKα","","0.0556","0.0359","","","0.0879","0.095","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208263","19.481","0.002","8.62","0.001","10.814","0.001","90","","99.4","0.01","90","","1791.6","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 9-dicyanomethylene-2,5,7-trinitrofluorene-4-carboxylate","","- C19 H9 N5 O8 -","- C19 H9 N5 O8 -","- C76 H36 N20 O32 -","4","1","BT6807","Batsanov, Andrei S.; Perepichka, Igor F.","Ethyl 9-dicyanomethylene-2,5,7-trinitrofluorene-4-carboxylate","Acta Crystallographica Section E","2006","62","3","o885","o887","10.1107/S1600536806003175","","","0.71073","MoKα","","0.1653","0.0665","","","0.131","0.1723","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208264","12.182","0.002","8.0602","0.0008","26.061","0.003","90","","91.53","0.01","90","","2558","0.6","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(1,3-Benzothiazol-2-yl)quinolin-8-ol","","- C16 H10 N2 O S -","- C16 H10 N2 O S -","- C128 H80 N16 O8 S8 -","8","1","BT6808","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","2-(1,3-Benzothiazol-2-yl)quinolin-8-ol","Acta Crystallographica Section E","2006","62","3","o880","o881","10.1107/S1600536806003187","","","1.5418","CuKα","","0.0431","0.0333","","","0.0888","0.0934","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208265","10.143","0.003","11.378","0.012","21.483","0.002","90","","99.66","0.03","90","","2444","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-bromo-2κ^2^Br:2'κ^2^Br-bis[bis(μ-acetylacetonato-1κO:2κO')bromo- 2κBr-bis(tetrahydrofuran-1κO)cadmium(II)nickel(II)]","","- C36 H60 Br4 Cd2 Ni2 O12 -","- C36 H60 Br4 Cd2 Ni2 O12 -","- C72 H120 Br8 Cd4 Ni4 O24 -","2","0.5","BT6810","Döring, Manfred; Hahn, Gabriela; Imhof, Wolfgang","Di-μ-bromo-2κ^2^<i>Br</i>:2'κ^2^<i>Br</i>-bis[bis(μ-acetylacetonato-1κ<i>O</i>:2κ<i>O</i>')bromo-2κ<i>Br</i>-bis(tetrahydrofuran-1κ<i>O</i>)cadmium(II)nickel(II)]","Acta Crystallographica Section E","2006","62","3","m429","m431","10.1107/S1600536806003643","","","0.71073","MoKα","","0.0916","0.0667","","","0.1697","0.195","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2208266","15.9489","0.0015","7.4448","0.0007","11.1716","0.0011","90","","90","","90","","1326.5","0.2","130","2","130","2","","","","","","","","5","P c a 21","P 2c -2ac","29","metanilic acid: polymorph 2","3-ammoniobenzenesulfonate","","- C6 H7 N O3 S -","- C6 H7 N O3 S -","- C48 H56 N8 O24 S8 -","8","2","BT6811","Graham Smith; Urs D. Wermuth; David J. Young; Jonathan M. White","The second orthorhombic polymorph of zwitterionic metanilic acid at 130 K","Acta Crystallographica Section E","2006","62","3","o948","o950","10.1107/S1600536806003953","","","0.71073","MoKα","","0.0426","0.0406","","","0.0646","0.0657","","","","","","0.935","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208267","7.5777","0.0007","8.261","0.0007","8.58","0.0007","99.09","0.01","101.45","0.01","114.2","0.01","462.62","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,6-dimethylpyridyl)iodinium dibromoiodate","","- C14 H18 Br2 I2 N2 -","- C14 H18 Br2 I2 N2 -","- C14 H18 Br2 I2 N2 -","1","0.5","BT6812","Batsanov, Andrei S.; Lightfoot, Andrew P.; Twiddle, Steven J. R.; Whiting, Andrew","Bis(2,6-dimethylpyridyl)iodonium dibromoiodate","Acta Crystallographica Section E","2006","62","3","o901","o902","10.1107/S1600536806003680","","","0.71073","MoKα","","0.0388","0.031","","","0.0721","0.0759","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208268","14.693","0.004","16.324","0.003","24.794","0.004","90.08","0.01","105.32","0.02","114.7","0.02","5168","2","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-hydroxo-κ^4^O:O-bis[aquatris(triphenylsilanolato-κO)zirconium(IV)] toluene solvate","","- C115 H104 O10 Si6 Zr2 -","- C115 H104 O10 Si6 Zr2 -","- C230 H208 O20 Si12 Zr4 -","2","1","BT6813","Schweder, Bernd; Walther, Dirk; Imhof, Wolfgang","Di-μ-hydroxo-κ^4^<i>O</i>:<i>O</i>-bis[aquatris(triphenylsilanolato-κ<i>O</i>)zirconium(IV)] toluene solvate","Acta Crystallographica Section E","2006","62","3","m465","m468","10.1107/S1600536806004156","","","0.71073","MoKα","","0.0474","0.0388","","","0.0979","0.106","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208269","17.7405","0.001","4.9935","0.0004","12.3989","0.0016","90","","100.8","0.01","90","","1078.93","0.18","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(p-tolyl)-1,3,2-benzodioxaborole","","- C13 H11 B O2 -","- C13 H11 B O2 -","- C52 H44 B4 O8 -","4","1","BT6814","Bramham, George; Batsanov, Andrei S.; Marder, Todd B.; Norman, Nicholas C.","2-(<i>p</i>-Tolyl)-1,3,2-benzodioxaborole","Acta Crystallographica Section E","2006","62","3","o972","o973","10.1107/S1600536806004089","","","0.71073","MoKα","","0.0651","0.0402","","","0.101","0.1278","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208270","17.857","0.0009","17.857","0.0009","18.0528","0.0011","90","","90","","120","","4985.3","0.5","170","2","170","2","","","","","","","","4","R 3 :H","R 3","146","","9α-Fluoro-11β,21-dihydroxy-16α,17α-isopropylidene-dioxy-pregna-1,4-diene-3 ,20-dione methanol solvate","","- C24.67 H33.67 F O6.67 -","- C24.6667 H31.33 F O6.66 -","- C222 H281.97 F9 O59.94 -","9","1","BT6815","Jeß, Inke; Näther, Christian","Triamcinolone acetonide methanol 0.67-solvate at 170 K","Acta Crystallographica Section E","2006","62","3","o960","o962","10.1107/S1600536806004260","","","0.71073","MoKα","","0.0441","0.0369","","","0.0916","0.0953","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208271","8.9947","0.0017","13.82","0.003","18.714","0.003","100.763","0.014","90.447","0.014","107.227","0.016","2177.9","0.8","295","","295","","","","","","","","","4","P -1","-P 1","2","N,N,N'-tris(benzyloxy)dicarbonimidic diamide","N,N',N''-tribenzyloxyiminodicarbonic diamide","","- C23 H23 N3 O5 -","- C23 H23 N3 O5 -","- C92 H92 N12 O20 -","4","2","BV2002","Đilović, Ivica; Matković-Čalogović, Dubravka; Kos, Ivan; Biruš, Mladen; Jadrijević Mladar-Takač, Milena","<i>N</i>,<i>N</i>',<i>N</i>''-Tribenzyloxydicarbonimidic diamide","Acta Crystallographica Section E","2006","62","3","o1016","o1018","10.1107/S1600536806004582","","","0.71073","MoKα","","0.0743","0.0475","","","0.1279","0.1494","","","","","","1.036","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208272","25.975","0.005","11.545","0.002","23.286","0.005","90","","108.81","0.03","90","","6610","3","283","2","283","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ-hexatriacontaoxophosphatododecamolybdenum-[bis(1,10- phenanthroline)copper(II)]","","- C48 H32 Cu2 Mo12 N8 O40 P -","- C48 H32 Cu2 Mo12 N8 O40 P -","- C192 H128 Cu8 Mo48 N32 O160 P4 -","4","1","BV6038","Yun-Peng Bai; Enbo Wang","μ-Hexatriacontaoxophosphatododecamolybdato-bis[bis(1,10-phenanthroline)copper(II)]","Acta Crystallographica Section E","2006","62","3","m526","m528","10.1107/S1600536806002832","","","0.71073","MoKα","","0.0885","0.0525","","","0.1116","0.1268","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208273","22.0328","0.0013","11.6648","0.0007","8.0759","0.0004","90","","103.313","0.004","90","","2019.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[μ-1,2-Bis(phenylsulfanyl)ethane-κ^2^S:S']bis[dibromomercury(II)]","","- C14 H14 Br4 Hg2 S2 -","- C14 H14 Br4 Hg2 S2 -","- C56 H56 Br16 Hg8 S8 -","4","0.5","BV6047","Gong, Jun-Bo; Zhou, Li-Na; Chen, Wei","[μ-1,2-Bis(phenylsulfanyl)ethane-κ^2^<i>S</i>:<i>S</i>']bis[dibromomercury(II)]","Acta Crystallographica Section E","2006","62","3","m440","m441","10.1107/S1600536806002728","","","0.71073","MoKα","","0.0416","0.0371","","","0.0953","0.0979","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208274","10.373","0.003","12.125","0.001","12.863","0.001","107.99","0.01","107.99","0.01","98.18","0.01","1412.1","0.5","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bis{[μ-N,N'-bis(2-hydroxybenzyl)-2-hydroxy-1,3 propandiaminato](acetato) (N,N'-dimethylformamide)nickel(II)}nickel(II)","","- C50 H74 N8 Ni3 O14 -","- C50 H74 N8 Ni3 O14 -","- C50 H74 N8 Ni3 O14 -","1","0.5","CF2005","Sarı, Musa; Atakol, Orhan; Svaboda, Ingrid; Fuess, Hartmut","Di-μ-acetato-bis[μ-2-hydroxy-<i>N</i>,<i>N</i>'-bis(2-oxidobenzyl)propane-1,3-diamine]bis(<i>N</i>,<i>N</i>'-dimethylformamide)trinickel(II) <i>N</i>,<i>N</i>'-dimethylformamide disolvate","Acta Crystallographica Section E","2006","62","3","m563","m565","10.1107/S1600536806005976","","","0.71073","MoKα","","0.0544","0.0335","","","0.0887","0.0956","","","","","","1.018","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208275","8.113","0.003","17.934","0.005","14.723","0.004","90","","98.008","0.006","90","","2121.3","1.1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Benzotriazol-1-yl 5-methyl-2,6-dimethyl -4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C22 H19 N5 O6 -","- C22 H19 N5 O6 -","- C88 H76 N20 O24 -","4","1","CF2006","Jiang, Li-qin; Sun, Feng-xia","3-Benzotriazol-1-yl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","3","o1129","o1130","10.1107/S1600536806005988","","","0.71073","MoKα","","0.1111","0.0518","","","0.1192","0.1456","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2208276","7.337","0.003","10.767","0.005","10.967","0.005","93.602","0.007","104.926","0.007","104.64","0.007","802.3","0.6","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[aqua(4,4'-dimethyl-2,2'-bipyridine)copper(II)]-μ-fumarato]","","- C16 H16 Cu N2 O5 -","- C16 H16 Cu N2 O5 -","- C32 H32 Cu2 N4 O10 -","2","1","CF2009","Dong, Gui-Ying; Cui, Guang-Hua; Lin, Jin","<i>catena</i>-Poly[[aqua(4,4'-dimethyl-2,2'-bipyridine)copper(II)]-μ-fumarato-κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>'''-[aqua(4,4'-dimethyl-2,2'-bipyridine)copper(II)]-μ-fumarato-κ<i>O</i>:κ<i>O</i>']","Acta Crystallographica Section E","2006","62","3","m628","m630","10.1107/S1600536806006477","","","0.71073","MoKα","","0.0438","0.0389","","","0.1002","0.1031","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208277","8.8524","0.0001","10.0821","0.0002","13.1198","0.0002","90","","90","","90","","1170.95","0.03","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,5-Di-O-acetyl-3-C-methyl-D-lyxono-1,4-lactone","","- C10 H14 O7 -","- C10 H14 O7 -","- C40 H56 O28 -","4","1","CF6489","Bream, Richard; Watkin, David; Soengas, Raquel; Eastwick-Field, Vanessa; Fleet, George W. J.","2,5-Di-<i>O</i>-acetyl-3-<i>C</i>-methyl-<small>D</small>-lyxono-1,4-lactone","Acta Crystallographica Section E","2006","62","3","o977","o979","10.1107/S1600536806004211","","","0.71073","MoKα","","0.0337","0.0337","","0.0734","0.0734","0.0734","","","","","","0.9068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208278","8.0425","0.0016","11.687","0.002","13.079","0.003","86.51","0.03","79.83","0.03","78.75","0.03","1186.3","0.4","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","poly[[tris(μ~2~-4,4'-bipyridine N,N'-dioxide)bis[trinitratothallium(III)]] dichloromethane disolvate]","","- C32 H28 Cl4 N12 O24 Tl2 -","- C32 H28 Cl4 N12 O24 Tl2 -","- C32 H28 Cl4 N12 O24 Tl2 -","1","0.5","CF6492","Moitsheki, Lesego J.; Bourne, Susan A.; Nassimbeni, Luigi R.","A coordination polymer of thallium(III) nitrate with 4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide","Acta Crystallographica Section E","2006","62","3","m542","m544","10.1107/S1600536806005095","","","0.71073","MoKα","","0.0422","0.0358","","","0.1029","0.1071","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208279","10.6434","0.0012","26.413","0.003","13.7552","0.0015","90","","103.272","0.002","90","","3763.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis[triphenyltin(IV)], m-phthalato","μ-isophthalato-bis[triphenyltin(IV)]","","- C44 H34 O4 Sn2 -","- C44 H34 O4 Sn2 -","- C176 H136 O16 Sn8 -","4","1","CF6493","Wen-Li Zhang; Jian-Fang Ma; Hui Jiang","μ-Isophthalato-bis[triphenyltin(IV)]","Acta Crystallographica Section E","2006","62","3","m460","m461","10.1107/S1600536806004053","","","0.71073","MoKα","","0.0868","0.042","","","0.076","0.081","","","","","","0.96","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208280","6.3216","0.0003","10.129","0.0005","24.1541","0.0012","90","","96.318","0.001","90","","1537.23","0.13","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sumatriptan","{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide","","- C14 H21 N3 O2 S -","- C14 H21 N3 O2 S -","- C56 H84 N12 O8 S4 -","4","1","CF6494","K. Ravikumar; B. Sridhar; Harihara Krishnan","Sumatriptan, an antimigraine drug","Acta Crystallographica Section E","2006","62","3","o1086","o1088","10.1107/S1600536806005101","","","0.71073","MoKα","","0.0486","0.0455","","","0.1248","0.1274","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208281","13.5136","0.0004","7.8414","0.0003","14.9854","0.0005","90","","109.823","0.002","90","","1493.84","0.09","120","0.1","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-phenyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","CI2002","Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","1-Phenyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","3","o890","o892","10.1107/S1600536806003461","","","0.71073","MoKα","","0.0403","0.0367","","","0.0879","0.0907","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208282","35.376","0.007","5.1136","0.001","14.868","0.003","90","","99.15","0.03","90","","2655.4","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-1,1'-Methylenedi-1H-imidazole-κ^2^N^3^:N^3'^-bis[aqua(pyridine-2,6- dicarboxylato)copper(II)] tetrahydrate","","- C21 H26 Cu2 N6 O14 -","- C21 H26 Cu2 N6 O14 -","- C84 H104 Cu8 N24 O56 -","4","0.5","CI2004","Dong, Gui-Ying; Cui, Guang-Hua; Wang, Sheng-chun","μ-1,1'-Methylenedi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^-bis[aqua(pyridine-2,6-dicarboxylato)copper(II)] tetrahydrate","Acta Crystallographica Section E","2006","62","3","m606","m607","10.1107/S1600536806006350","","","0.71073","MoKα","","0.0394","0.0315","","","0.0785","0.0821","","","","","","1.099","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208283","7.0968","0.0003","7.4959","0.0003","14.9563","0.0006","76.681","0.001","85.757","0.001","81.381","0.001","764.84","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Salvesigenine","5-Hydroxy-4',6,7-trimethoxyflavone","","- C18 H16 O6 -","- C18 H16 O6 -","- C36 H32 O12 -","2","1","CI2005","M. Shaiq Ali; Shamsher Ali; Shazia Anjum; Waqar Ahmad","5-Hydroxy-4',6,7-trimethoxyflavone","Acta Crystallographica Section E","2006","62","3","o1107","o1109","10.1107/S1600536806005617","","","0.71073","MoKα","","0.0431","0.0398","","","0.1142","0.1212","","","","","","0.998","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208284","10.0027","0.001","8.3325","0.0012","12.0951","0.0012","90","","112.34","0.007","90","","932.43","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(3-ammoniopropyl)ethylenediaminium bis(squarate)","","- C16 H26 N4 O8 -","- C16 H26 N4 O8 -","- C32 H52 N8 O16 -","2","0.5","CI2006","Hümeyra Paşaog̃lu; Ozan Oktay Yilan","Bis(3-ammoniopropyl)ethylenediaminium bis(squarate)","Acta Crystallographica Section E","2006","62","3","o1160","o1162","10.1107/S1600536806006295","","","0.71073","MoKα","","0.0466","0.034","","","0.081","0.091","","","","","","1.087","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208285","7.767","0.003","11.091","0.005","15.094","0.007","90","","96.074","0.008","90","","1293","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-Poly[[bis(tetrafluoroborato)copper(II)]bis[μ-1,3- bis(ethylsulfinyl)propane-κ^2^O:O']]","","- C14 H32 B2 Cu F8 O4 S4 -","- C14 H32 B2 Cu F8 O4 S4 -","- C28 H64 B4 Cu2 F16 O8 S8 -","2","0.5","CI2008","Tao, Ying; Yu, Qun; Li, Jian-Rong","<i>catena</i>-Poly[[bis(tetrafluoroborato)copper(II)]bis[μ-1,3-bis(ethylsulfinyl)propane-κ^2^<i>O</i>:<i>O</i>']]","Acta Crystallographica Section E","2006","62","3","m595","m596","10.1107/S1600536806006271","","","0.71073","MoKα","","0.0465","0.0422","","","0.1144","0.1167","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208286","25.644","0.005","9.701","0.002","14.051","0.003","90","","120.594","0.002","90","","3008.9","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dimethyl[2-oxido-1-benzaldehyde (2-thienylcarbonyl)hydrazonato]tin(IV)","","- C14 H14 N2 O2 S Sn -","- C14 H14 N2 O2 S Sn -","- C112 H112 N16 O16 S8 Sn8 -","8","1","CI2009","Shao-Wen Chen; Han-Dong Yin","Dimethyl[2-oxido-1-benzaldehyde (2-thienylcarbonyl)hydrazonato]tin(IV)","Acta Crystallographica Section E","2006","62","3","m656","m657","10.1107/S1600536806006702","","","0.71073","MoKα","","0.0399","0.0293","","","0.0738","0.0827","","","","","","1.002","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208287","8.9","0.0011","12.2172","0.0014","13.1342","0.0016","101.696","0.002","103.519","0.002","110.744","0.002","1232.9","0.3","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","[3,5-Dibromosalicylaldehyde (2-hydroxybenzoyl)hydrazonato-κ^3^O,N,O']bis(pyridine-κN)zinc(II)","","- C24 H18 Br2 N4 O3 Zn -","- C24 H18 Br2 N4 O3 Zn -","- C48 H36 Br4 N8 O6 Zn2 -","2","1","CI2012","Yu Wu; Shao-Min Shi; Bing Jia; Zong-Qiu Hu","[3,5-Dibromosalicylaldehyde (2-hydroxybenzoyl)hydrazonato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']bis(pyridine-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2006","62","3","m648","m649","10.1107/S160053680600657X","","","0.71073","MoKα","","0.097","0.0524","","","0.1239","0.1567","","","","","","1.009","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208288","11.68","0.002","12.234","0.002","18.396","0.004","90","","93.85","0.03","90","","2622.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Acetyl-3,3-bis[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-indolin-2(3H)-one","","- C30 H25 N5 O4 -","- C30 H25 N5 O4 -","- C120 H100 N20 O16 -","4","1","CI6750","Yan, Xiao-Chen; Wang, Hai-Bo; Liu, Zhi-Qian","1-Acetyl-3,3-bis[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1<i>H</i>-indolin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","3","o917","o918","10.1107/S1600536806003588","","","0.71073","MoKα","","0.1291","0.0668","","","0.1444","0.1719","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208289","10.6767","0.0002","11.9258","0.0002","13.0623","0.0002","89.606","0.001","86.66","0.001","63.538","0.001","1486.08","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Pentacarbonyl[N,N-dimethyl-N'-(5-{2-[5-(4-pyridylethynyl)thiophen-2- yl]vinyl}thiophen-2-ylmethylene)benzene-1,4-diamine]tungsten","","- C31 H21 N3 O5 S2 W -","- C31 H21 N3 O5 S2 W -","- C62 H42 N6 O10 S4 W2 -","2","1","CI6751","Huang, Ping-Hsin; Huang, Tai-Hsiang; Shen, Jiun-Yi; Wen, Yuh-Sheng","Pentacarbonyl[<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-(5-{2-[5-(4-pyridylethynyl)thiophen-2-yl]vinyl}thiophen-2-ylmethylene)benzene-1,4-diamine]tungsten(0)","Acta Crystallographica Section E","2006","62","3","m432","m433","10.1107/S1600536806003576","","","0.71073","MoKα","","0.0262","0.022","","","0.0397","0.0401","","","","","","0.88","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208290","22.413","0.002","10.862","0.002","22.416","0.003","90","","118.8","0.01","90","","4782.2","1.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[hexakis(N,N-dimethylacetamide)aluminium(III)] bis(N,N-dimethylacetamide)ium heptakis(perchlorate)","","- C56 H127 Al2 Cl7 N14 O42 -","- C56 H127 Al2 Cl7 N14 O42 -","- C112 H254 Al4 Cl14 N28 O84 -","2","0.5","CI6753","Suzuki, Honoh; Ishiguro, Shin-ichi","<i>N</i>,<i>N</i>-Dimethylacetamide complex of aluminium(III) perchlorate","Acta Crystallographica Section E","2006","62","3","m576","m578","10.1107/S1600536806005575","","","1.54184","CuKα","","0.1207","0.0781","","","0.197","0.2443","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208291","6.4881","0.0007","18.0686","0.0019","12.7422","0.0018","90","","90","","90","","1493.8","0.3","296","2","296","2","","","","","","","","4","C m c a","-C 2ac 2","64","","Diaminopyrimidinium squarate 1.394-hydrate","","- C12 H14.79 N6 O5.39 -","- C12 H14.788 N6 O5.394 -","- C48 H59.152 N24 O21.576 -","4","","CI6754","Körog̃lu, Ahmet","Diaminopyrimidinium squarate 1.394-hydrate","Acta Crystallographica Section E","2006","62","3","o1036","o1037","10.1107/S160053680600482X","","","0.71073","MoKα","","0.0626","0.0403","","","0.0952","0.104","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2208292","6.8104","0.0001","16.8958","0.0002","17.4608","0.0002","90","","108.828","0.001","90","","1901.66","0.04","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(4-Hydroxystyryl)-1-methylpyridinium <i>p</i>-toluenesulfonate","2-(4-Hydroxystyryl)-1-methylpyridinium <i>p</i>-toluenesulfonate","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C84 H84 N4 O16 S4 -","4","1","CI6755","Suchada Chantrapromma; Pumsak Ruanwas; Boonwasana Jindawong; Abdul Razak Ibrahim; Hoong-Kun Fun","2-(4-Hydroxystyryl)-1-methylpyridinium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2006","62","3","o875","o877","10.1107/S1600536806003540","","","0.71073","MoKα","","0.0595","0.0458","","","0.1251","0.1448","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208293","14.3238","0.0002","7.4913","0.0001","11.2786","0.0002","90","","100.325","0.001","90","","1190.64","0.03","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-bromophenyl)-1-phenylprop-2-en-1-one","","- C15 H11 Br O -","- C15 H11 Br O -","- C60 H44 Br4 O4 -","4","1","CI6756","Ng, Shea-Lin; P. S. Patil; Ibrahim Abdul Razak; Hoong-Kun Fun; S. M. Dharmaprakash","3-(3-Bromophenyl)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2006","62","3","o893","o895","10.1107/S1600536806003552","","","0.71073","MoKα","","0.05","0.0298","","","0.0755","0.0903","","","","","","1.098","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208294","3.8765","0.0001","12.9341","0.0002","25.906","0.0005","90","","90","","90","","1298.9","0.05","100","0.1","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(4-Methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","CI6757","P. S. Patil; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","3-(4-Methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","3","o896","o898","10.1107/S1600536806003564","","","0.71073","MoKα","","0.0365","0.0349","","","0.0935","0.0963","","","","","","1.055","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208295","11.281","0.003","11.281","0.003","4.6207","0.0012","90","","90","","90","","588","0.3","213","2","297","2","","","","","","","","5","I -4","I -4","82","Cobalt mercury tetraselenocyanate","Cobalt mercury tetraselenocyanate","","- C4 Co Hg N4 Se4 -","- C4 Co Hg N4 Se4 -","- C8 Co2 Hg2 N8 Se8 -","2","0.25","CI6759","Sheng-Li Li; Hoong-Kun Fun; Suchada Chantrapromma; Jie-Ying Wu; Yu-Peng Tian","Cobalt mercury tetraselenocyanate, CoHg(SeCN)~4~","Acta Crystallographica Section E","2006","62","3","i47","i49","10.1107/S1600536806004259","","","0.71073","MoKα","","0.0512","0.0415","","","0.1007","0.1031","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208296","5.599","0.002","20.3","0.02","15.557","0.006","90","","90.585","0.012","90","","1768","2","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N-Dibenzyl-3-nitrobenzenesulfenamide","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C80 H72 N8 O8 S4 -","4","1","CV2003","Brito, Iván; López-Rodríguez, Matías; Vargas, Danitza; León Yasna","<i>N</i>,<i>N</i>-Dibenzyl-3-nitrobenzenesulfenamide","Acta Crystallographica Section E","2006","62","3","o914","o916","10.1107/S1600536806003849","","","0.71073","MoKα","","","0.0594","","","","0.1735","","","","","","1.189","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208297","17.6699","0.0004","27.7962","0.0006","12.2289","0.0002","90","","94.523","0.001","90","","5987.6","0.2","293","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Tricyclohexylphosphine)bis(tropolonato)palladium(II)","","- C32 H43 O4 P Pd -","- C32 H43 O4 P Pd -","- C256 H344 O32 P8 Pd8 -","8","1","CV2004","Steyl, Gideon","(Tricyclohexylphosphine)bis(tropolonato)palladium(II)","Acta Crystallographica Section E","2006","62","3","m650","m652","10.1107/S1600536806006453","","","0.71073","MoKα","","0.0319","0.024","","","0.0651","0.078","","","","","","1.121","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208298","9.5335","0.0019","10.518","0.002","21.205","0.004","90","","91.78","0.03","90","","2125.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Oxalato-bis[chlorotripyridinecobalt(II)] pyridine disolvate","","- C42 H40 Cl2 Co2 N8 O4 -","- C42 H40 Cl2 Co2 N8 O4 -","- C84 H80 Cl4 Co4 N16 O8 -","2","0.5","CV2005","Bolte, Michael","μ-Oxalato-bis[chlorotripyridinecobalt(II)] pyridine disolvate","Acta Crystallographica Section E","2006","62","3","m597","m598","10.1107/S1600536806006301","","","0.71073","MoKα","","0.089","0.0628","","","0.1732","0.1897","","","","","","0.935","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208299","19.541","0.002","9.0199","0.0008","14.8424","0.0016","90","","124.628","0.002","90","","2152.7","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Amino-4-(2-chlorophenyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","","- C25 H24 Cl N3 O -","- C25 H24 Cl N3 O -","- C100 H96 Cl4 N12 O4 -","4","1","CV2008","Hong Jiang; Xiang-Shan Wang; Mei-Mei Zhang; Yu-Ling Li; Da-Qing Shi","2-Amino-4-(2-chlorophenyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","Acta Crystallographica Section E","2006","62","3","o1184","o1186","10.1107/S1600536806006465","","","0.7107","MoKα","","0.0289","0.0285","","","0.0754","0.0757","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208300","19.7348","0.0007","4.78768","0.00012","19.2544","0.0004","90","","108.962","0.0017","90","","1720.51","0.08","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Pamoic Acid","4,4'-methylenebis(3-hydroxy-2-naphthoic acid)","","- C23 H16 O6 -","- C23 H16 O6 -","- C92 H64 O24 -","4","0.5","CV6632","Haynes, Delia A.; Van de Streek, Jacco; Burley, Jonathan C.; Jones, William; Motherwell, W. D. Sam","Pamoic acid determined from powder diffraction data","Acta Crystallographica Section E","2006","62","3","o1170","o1172","10.1107/S1600536806005812","","","1.78892","CoKα~1~","","","","","","","","","","1.2","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208301","6.7257","0.0004","14.3806","0.0008","26.0364","0.0015","90","","90","","90","","2518.2","0.3","273","2","273","2","","","","","","","","5","C m c a","-C 2ac 2","64","","4-Amino-1-(4-nitrobenzyl)pyridinium bromide","","- C12 H12 Br N3 O2 -","- C12 H12 Br N3 O2 -","- C96 H96 Br8 N24 O16 -","8","","CV6638","Sundar, T. V.; Parthasarathi, V.; Ravikumar, K.; Venkatesan, P.; Nallu, M.","4-Amino-1-(4-nitrobenzyl)pyridinium bromide","Acta Crystallographica Section E","2006","62","3","o1118","o1120","10.1107/S1600536806005605","","","0.71073","MoKα","","0.0264","0.0244","","","0.0655","0.0677","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2208302","12.9341","0.0009","9.4562","0.0007","18.1878","0.0009","90","","120.441","0.003","90","","1917.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1H-1,2,3-Benzotriazol-1-yl)-1-benzoylethyl 2-chlorobenzoate","","- C22 H16 Cl N3 O3 -","- C22 H16 Cl N3 O3 -","- C88 H64 Cl4 N12 O12 -","4","1","CV6639","Jun Wan; Zheng-Zhong Peng; Xue-Mei Li; Shu-Sheng Zhang","2-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-1-benzoylethyl 2-chlorobenzoate","Acta Crystallographica Section E","2006","62","3","o1038","o1039","10.1107/S1600536806004879","","","0.71073","MoKα","","0.0615","0.046","","","0.1071","0.1158","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208303","9.566","0.0016","16.241","0.003","18.211","0.003","90","","100.464","0.003","90","","2782.2","0.8","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris(tert-butyl 3-oxobutanoato-κ^2^O^1^,O^3^)aluminium(III)","","- C24 H39 Al O9 -","- C24 H39 Al O9 -","- C96 H156 Al4 O36 -","4","1","CV6641","Dharmaprakash, M. S.; Thamotharan, S.; Neelgund, Gururaj M.; Shivashankar, S. A.","Tris(<i>tert</i>-butyl 3-oxobutanoato-κ^2^<i>O</i>^1^,<i>O</i>^3^)aluminium(III) at 153 K","Acta Crystallographica Section E","2006","62","3","m434","m436","10.1107/S1600536806003242","","","0.71073","MoKα","","0.0849","0.0579","","","0.1411","0.1575","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208304","8.423","0.002","10.577","0.004","17.97","0.03","90","","89.46","0.08","90","","1601","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","imidazoacethydrazone","4-Methylacetophenone [(2-methyl-4-nitro-1H-imidazol-1-yl)acetyl]hydrazone","","- C15 H17 N5 O3 -","- C15 H17 N5 O3 -","- C60 H68 N20 O12 -","4","1","CV6644","S. Balamurugan; A. Thiruvalluvar; Balakrishna Kalluraya","4-Methylacetophenone [(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetyl]hydrazone","Acta Crystallographica Section E","2006","62","3","o1126","o1128","10.1107/S1600536806005794","","","1.5418","CuKα","","0.069","0.0653","","","0.2543","0.256","","","","","","1.142","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208305","10.469","0.002","10.981","0.002","11.811","0.002","65.77","0.03","72.77","0.03","83.2","0.03","1182.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","trans-Bis(acetylacetonato-κ^2^O,O')mesityl(tetrahydrofuran-κO)vanadium(III)","","- C23 H33 O5 V -","- C23 H33 O5 V -","- C46 H66 O10 V2 -","2","1","DN2003","Imhof, Wolfgang; Seidel, Wolfgang","<i>trans</i>-Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')mesityl(tetrahydrofuran-κ<i>O</i>)vanadium(III)","Acta Crystallographica Section E","2006","62","3","m571","m573","10.1107/S1600536806005496","","","0.71073","MoKα","","0.0673","0.0461","","","0.1179","0.1321","","","","","","0.859","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208306","7.7346","0.001","11.9127","0.0017","13.0732","0.0018","105.682","0.002","92.228","0.003","106.699","0.002","1101.9","0.3","170","2","170","2","","","","","","","","4","P -1","-P 1","2","4,5-Dimethyl-1,2-bis(quinoline-2-carboxamido)benzene","N,N'-(4,5-dimethyl-o-phenylene)bis(quinoline-2-carboxamide)","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C56 H44 N8 O4 -","2","1","DN2004","Nam, Sang Ho; Park, Byeong Kwon; Kim, Cheal; Kim, Youngmee","4,5-Dimethyl-1,2-bis(quinoline-2-carboxamido)benzene","Acta Crystallographica Section E","2006","62","3","o1189","o1191","10.1107/S1600536806006611","","","0.71073","MoKα","","0.0918","0.0347","","","0.066","0.0761","","","","","","0.963","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208307","5.2833","0.0008","5.7039","0.0008","12.0883","0.0018","88.052","0.002","85.975","0.002","81.389","0.002","359.19","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(2-azidoethyl) terephthalate","","- C12 H12 N6 O4 -","- C12 H12 N6 O4 -","- C12 H12 N6 O4 -","1","0.5","DN6301","Xiao-Ru Zhang; Shu-Sheng Zhang; Min-Hua Xu; Xue-Mei Li","Bis(2-azidoethyl) terephthalate","Acta Crystallographica Section E","2006","62","3","o1079","o1080","10.1107/S1600536806005216","","","0.71073","MoKα","","0.054","0.0448","","","0.1129","0.1231","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208308","7.165","0.003","7.768","0.003","11.907","0.004","103.505","0.006","100.886","0.006","101.474","0.006","612","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(2-methoxyphenylsulfanyl)benzoic acid","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C28 H24 O6 S2 -","2","1","DN6302","Li, Ai-Jun; Tao, Min-Li; Ma,Jing; Zhou, Xue-Qin; Liu, Dong-Zhi","2-(2-Methoxyphenylsulfanyl)benzoic acid","Acta Crystallographica Section E","2006","62","3","o1176","o1177","10.1107/S1600536806006428","","","0.71073","MoKα","","0.0767","0.0555","","","0.1439","0.1622","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208309","5.422","0.002","7.436","0.003","24.043","0.009","90","","90","","90","","969.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4S)-4-(Cyclopropylcarbonyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","DN6304","Wang, Li-Juan; Zhang, Zheng-Dong; Zheng, Jian-Feng; Fang, Hua; Jin, Li-Ren","(3<i>S</i>,4<i>S</i>)-4-(Cyclopropylcarbonyl)-3-[(1<i>R</i>)-1-hydroxyethyl]azetidin-2-one","Acta Crystallographica Section E","2006","62","3","o888","o889","10.1107/S160053680600359X","","","0.71073","MoKα","","0.0581","0.0527","","","0.1329","0.1366","","","","","","1.086","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208310","8.163","0.0007","29.3272","0.0009","11.436","0.003","90","","90","","90","","2737.8","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2-Naphthoxy)phthalonitrile","","- C18 H10 N2 O -","- C18 H10 N2 O -","- C144 H80 N16 O8 -","8","1","DN6305","Ustabaş, Reşat; Çoruh, Ufuk; Akdemir, Nesuhi; Ag̃ar, Erbil; Kalkan, Hüseyin","4-(2-Naphthoxy)phthalonitrile","Acta Crystallographica Section E","2006","62","3","o999","o1000","10.1107/S1600536806004168","","","0.71073","MoKα","","0.1274","0.0442","","","0.0995","0.1117","","","","","","0.632","","","","has coordinates,has Fobs","192348","2020-10-21","18:00:00",""
"2208311","7.6259","0.001","7.0348","0.0007","18.755","0.003","90","","111.502","0.01","90","","936.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(1-Hydroxy-2-naphthyl)ethanone","","- C12 H10 O2 -","- C12 H10 O2 -","- C48 H40 O8 -","4","1","DN6306","Büyükgüngör, Orhan; Odabaşoğlu, Mustafa","1-(1-Hydroxy-2-naphthyl)ethanone","Acta Crystallographica Section E","2006","62","3","o953","o954","10.1107/S160053680600417X","","","0.71073","MoKα","","0.0985","0.0595","","","0.15","0.1715","","","","","","0.993","","","","has coordinates,has Fobs","192348","2020-10-21","18:00:00",""
"2208312","8.3175","0.0007","18.0065","0.0014","19.0503","0.0015","90","","90","","90","","2853.1","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chloro[(4R,9R,14R,19R)-24-chloro-2,21-dimethyl-3,10,13,20,26- pentaazatetracyclo[20.3.1.0^4,9^.0^14,19^]hexacosa-1(26),2(3),20(21),22(23),24- pentaene](methoxo)manganese(II) chloride monohydrate","","- C24 H39 Cl3 Mn N5 O2 -","- C24 H39 Cl3 Mn N5 O2 -","- C96 H156 Cl12 Mn4 N20 O8 -","4","1","ER6033","Tu, Hai-Yang; Wang, Cheng-Jing; Meng, Xiang-Gao; Zhang, Ai-Dong","Chloro[(4<i>R</i>,9<i>R</i>,14<i>R</i>,19<i>R</i>)-24-chloro-2,21-dimethyl-3,10,13,20,26-pentaazatetracyclo[20.3.1.0^4,9^.0^14,19^]hexacosa-1(26),2(3),20(21),22(23),24-pentaene](methoxo)manganese(II) chloride monohydrate","Acta Crystallographica Section E","2006","62","3","m500","m501","10.1107/S1600536806004466","","","0.71073","MoKα","","0.0582","0.0445","","","0.0901","0.0962","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208313","16.8253","0.0015","7.4853","0.0007","14.8743","0.0013","90","","97.171","0.001","90","","1858.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorobenzoyl)-2-(1H-1,2,4-triazol-1-yl)ethyl morpholine-4-carbodithioate)","","- C16 H17 Cl N4 O2 S2 -","- C16 H17 Cl N4 O2 S2 -","- C64 H68 Cl4 N16 O8 S8 -","4","1","ER6039","Zhi-Yi Wang; Jun Wan; Xue-Mei Li; Chun-Li Li; Shu-Sheng Zhang","1-(4-Chlorobenzoyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethyl morpholine-4-carbodithioate","Acta Crystallographica Section E","2006","62","3","o1081","o1083","10.1107/S1600536806005162","","","0.71073","MoKα","","0.0534","0.0429","","","0.1008","0.1076","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208314","12.255","0.004","7.819","0.003","14.148","0.005","90","","114.912","0.006","90","","1229.5","0.8","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-Difluorophenyl 4-vinylphenyl sulfone","","- C14 H10 F2 O2 S -","- C14 H10 F2 O2 S -","- C56 H40 F8 O8 S4 -","4","1","FL2002","Purdy, Andrew P.; Jarchow-Choy, Sarah K.; Gilardi, Richard D.; Butcher, Ray J.","1,2-Difluorophenyl 4-vinylphenyl sulfone","Acta Crystallographica Section E","2006","62","3","o992","o994","10.1107/S1600536806004351","","","0.71073","MoKα","","0.0579","0.0461","","","0.1119","0.1187","","","","","","1.041","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208315","8.1322","0.0007","11.1027","0.0009","16.0757","0.0014","90","","100.68","0.002","90","","1426.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N-Dimethyl-1-phenylsulfonyl-1H-pyrrole-3-sulfonamide","","- C12 H14 N2 O4 S2 -","- C12 H14 N2 O4 S2 -","- C48 H56 N8 O16 S8 -","4","1","FL2003","Grossie, David A.; Malwitz, David J.; Ketcha, Daniel M.","<i>N</i>,<i>N</i>-Dimethyl-1-phenylsulfonyl-1<i>H</i>-pyrrole-3-sulfonamide","Acta Crystallographica Section E","2006","62","3","o980","o982","10.1107/S1600536806004132","","","0.71073","MoKα","","0.0497","0.0469","","","0.1069","0.1086","","","","","","1.198","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208316","13.8485","0.0018","5.8921","0.0008","19.613","0.002","90","","90","","90","","1600.4","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 4-bromobenzoate","","- C8 H7 Br O2 -","- C8 H7 Br O2 -","- C64 H56 Br8 O16 -","8","1","FL2004","Bolte, Michael; Wissler, Jörg","Methyl 4-bromobenzoate","Acta Crystallographica Section E","2006","62","3","o1192","o1193","10.1107/S1600536806006866","","","0.71073","MoKα","","0.056","0.0405","","","0.089","0.0928","","","","","","0.935","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208317","35.31","0.003","6.7996","0.0007","9.7193","0.0007","90","","102.893","0.004","90","","2274.7","0.3","296","1","296","1","","","","","","","","5","C 1 2 1","C 2y","5","","trans-Dichlorobis[(S)-(-)-1-(1-naphthyl)ethylamine]palladium(II)","","- C24 H26 Cl2 N2 Pd -","- C24 H26 Cl2 N2 Pd -","- C96 H104 Cl8 N8 Pd4 -","4","1","FL6203","Vázquez, Jaime; Bernès, Sylvain; Hernández, Guadalupe; Aguilar, Hilda; Gutiérrez, René","<i>trans</i>-Dichlorobis[(<i>S</i>)-(‒)-1-(1-naphthyl)ethylamine]palladium(II)","Acta Crystallographica Section E","2006","62","3","m502","m504","10.1107/S1600536805041164","","","0.71073","MoKα","","0.0286","0.0279","","","0.0739","0.0747","","","","","","1.078","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208318","8.6967","0.0016","14.557","0.003","27.408","0.005","90","","90","","90","","3469.8","1.1","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-(Hydroxydiphenylmethyl)-2-(methoxymethoxy)benzaldehyde","","- C22 H20 O4 -","- C22 H20 O4 -","- C176 H160 O32 -","8","1","FL6210","Chen, Wei-Zhu; Zeng, Qing-Le; Fang, Hua; Gao, Yu-Xing; Zhao, Yu-Fen","3-(Hydroxydiphenylmethyl)-2-(methoxymethoxy)benzaldehyde","Acta Crystallographica Section E","2006","62","3","o869","o870","10.1107/S1600536806003035","","","0.71073","MoKα","","0.0596","0.0501","","","0.1368","0.1438","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208319","17.034","0.003","7.6898","0.0014","17.229","0.003","90","","99.344","0.003","90","","2226.8","0.7","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[4-(2,3-Dichlorophenyl)piperazin-1-yl][2-(2- methoxyphenylsulfanyl)phenyl]methanone","","- C24 H22 Cl2 N2 O2 S -","- C24 H22 Cl2 N2 O2 S -","- C96 H88 Cl8 N8 O8 S4 -","4","1","FL6211","Chu, Ji-Cheng; Shang, Zhen-Hua; Zhou, Xue-Qin; Liu, Dong-Zhi","[4-(2,3-Dichlorophenyl)piperazin-1-yl][2-(2-methoxyphenylsulfanyl)phenyl]methanone","Acta Crystallographica Section E","2006","62","3","o1042","o1043","10.1107/S1600536806004739","","","0.71073","MoKα","","0.1097","0.0453","","","0.0952","0.1074","","","","","","0.985","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208320","7.165","0.002","10.545","0.004","16.613","0.006","90","","98.475","0.005","90","","1241.5","0.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[1-Hydroxy-1-phosphono-2-(trimethylphosphonium-1-yl)ethyl]phosphonate monohydrate","","- C5 H17 O8 P3 -","- C5 H17 O8 P3 -","- C20 H68 O32 P12 -","4","1","FL6214","Rong Cao; Michael P. Hudock; Yonghui Zhang; Wilson, Scott R.; Eric Oldfield","[1-Hydroxy-1-phosphono-2-(trimethylphosphonium-1-yl)ethyl]phosphonate monohydrate","Acta Crystallographica Section E","2006","62","3","o1055","o1057","10.1107/S1600536806005010","","","0.71073","MoKα","","0.0516","0.035","","","0.0851","0.0918","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208321","11.607","0.002","14.302","0.003","17.477","0.004","78.18","0.03","72.68","0.03","80.31","0.03","2693","1.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","(diethyl ether)(μ~4~-2-{6-[1,3-dimethyl-3-(2-pyridyl)-1,4-bis(2,4,6- trimethylanilinio)butyl]-2-pyridyl}-2-methyl-1,3-bis(2,4,6- trimethylanilinio)propane)tetralithium(I) diethyl ether solvate","","- C59 H74 Li4 N6 O -","- C59 H74 Li4 N6 O -","- C118 H148 Li8 N12 O2 -","2","1","FL6217","Ward, Benjamin D.; Gade, Lutz H.; Mountford, Philip","Lithiation of the diaminopyridine protio-ligand MeC(2-C~5~H~4~N){CH~2~N(H)Mes}~2~ (Mes = 2,4,6-C~6~H~2~Me~3~)","Acta Crystallographica Section E","2006","62","3","m472","m474","10.1107/S1600536806004041","","","0.71073","MoKα","","0.1479","0.0511","","0.1378","0.0537","0.0537","","","","","","1.0869","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2208322","14.23","0.003","6.945","0.002","21.808","0.009","90","","90","","90","","2155.2","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-methyl-7-hydroxycoumarin sulfate potassium salt","Potassium (4-methyl-2-oxo-2H-chromen-7-yloxy)sulfate","","- C10 H7 K O6 S -","- C10 H7 K O6 S -","- C80 H56 K8 O48 S8 -","8","1","FL6218","Sierosławski, Krzysztof; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium (4-methyl-2-oxo-2<i>H</i>-chromen-7-yloxy)sulfate","Acta Crystallographica Section E","2006","62","3","m560","m562","10.1107/S1600536806005137","","","0.71073","MoKα","","0.0672","0.056","","","0.1021","0.1045","","","","","","1.244","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208323","13.1335","0.0005","24.5909","0.0008","10.0806","0.0003","90","","104.328","0.002","90","","3154.41","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-Chloroacetophenone 2,4,6-trinitrophenylhydrazone","[(1E)-1-aza-2-(3-chlorophenyl)prop-1-enyl](2,4,6-trinitrophenyl)amine","","- C14 H10 Cl N5 O6 -","- C14 H10 Cl N5 O6 -","- C112 H80 Cl8 N40 O48 -","8","2","GH6033","Shang Shan; Zheng Fan; Duan-Jun Xu","3-Chloroacetophenone 2,4,6-trinitrophenylhydrazone","Acta Crystallographica Section E","2006","62","3","o1123","o1125","10.1107/S1600536806005952","","","0.71069","MoKα","","0.085","0.048","","","0.126","0.147","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208324","15.0676","0.0005","12.5534","0.0003","14.5533","0.0005","90","","111.486","0.0013","90","","2561.45","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridyl)bis(pentane-2,4-dionato)vanadium(III) perchlorate dichloromethane solvate","","- C21 H24 Cl3 N2 O8 V -","- C21 H24 Cl3 N2 O8 V -","- C84 H96 Cl12 N8 O32 V4 -","4","1","HB2004","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","(2,2'-Bipyridyl)bis(pentane-2,4-dionato)vanadium(III) perchlorate dichloromethane solvate","Acta Crystallographica Section E","2006","62","3","m529","m531","10.1107/S1600536806004594","","","0.71073","MoKα","","0.071","0.0425","","","0.0954","0.1047","","","","","","1.067","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208325","10.3428","0.0004","19.8783","0.0004","25.8749","0.0008","90","","90","","90","","5319.8","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H26 Co N6 O6 S -","- C25 H26 Co N6 O6 S -","- C200 H208 Co8 N48 O48 S8 -","8","1","HB2005","Lei Cao; Jia-Geng Liu; Duan-Jun Xu","Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(thiodiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cobalt(II) dihydrate","Acta Crystallographica Section E","2006","62","3","m579","m581","10.1107/S1600536806005897","","","0.71073","MoKα","","0.105","0.054","","","0.093","0.104","","","","","","1.054","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208326","9.9605","0.0007","10.916","0.0007","11.8547","0.0008","116.101","0.001","98.348","0.001","91.999","0.001","1138.14","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Aquadibenzoato(2,2'-bipyridine)cadmium(II) monohydrate","","- C24 H22 Cd N2 O6 -","- C24 H22 Cd N2 O6 -","- C48 H44 Cd2 N4 O12 -","2","1","HB2006","Zhu, Long-Guan; Hu, Mao-Lin","Aquadibenzoato(2,2'-bipyridine)cadmium(II) monohydrate","Acta Crystallographica Section E","2006","62","3","m653","m655","10.1107/S1600536806005502","","","0.71073","MoKα","","0.036","0.034","","","0.084","0.085","","","","","","1.071","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208327","15.5206","0.0019","7.3856","0.0009","4.8852","0.0006","90","","90","","90","","559.99","0.12","100","2","100","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Mn4.6 Si5 Ta1.4 -","- Mn4.608 Si5 Ta1.392 -","- Mn18.432 Si20 Ta5.568 -","4","0.25","HB2007","Bobev, Svilen; Bauer, Eric D.; Sarrao, John L.","Ta~1.40(1)~Mn~4.60(1)~Si~5~: distribution of the Ta and Mn atoms","Acta Crystallographica Section E","2006","62","3","i69","i71","10.1107/S1600536806005873","","","0.71073","MoKα","","0.0208","0.0192","","","0.0472","0.0477","","","","","","1.124","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2208328","9.4545","0.0007","11.5713","0.0008","12.6818","0.0009","90","","109.148","0.006","90","","1310.64","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 Br2 Mn2 O8 -","- C8 Br2 Mn2 O8 -","- C32 Br8 Mn8 O32 -","4","1","HB2008","Haghiri, Alireza; Lerner, Hans-Wolfram; Bolte, Michael","Redetermination of di-μ-bromo-bis[tetracarbonylmanganese(I)] at low temperature","Acta Crystallographica Section E","2006","62","3","i72","i73","10.1107/S1600536806005885","","","0.71073","MoKα","","0.0413","0.0355","","","0.0877","0.0911","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208329","7.6155","0.0015","9.4568","0.0019","16.227","0.003","103.52","0.03","97.15","0.03","102.04","0.03","1092.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[dibromomercury(II)]-μ-1,5-bis(benzylsulfanyl)pentane-κ^2^S:S']","","- C19 H24 Br2 Hg S2 -","- C19 H24 Br2 Hg S2 -","- C38 H48 Br4 Hg2 S4 -","2","1","HB2009","Yu, Qun; Tao, Ying; Li, Jian-Rong","<i>catena</i>-Poly[[dibromomercury(II)]-μ-1,5-bis(benzylsulfanyl)pentane-κ^2^<i>S</i>:<i>S</i>']","Acta Crystallographica Section E","2006","62","3","m613","m614","10.1107/S1600536806006088","","","0.71073","MoKα","","0.041","0.029","","","0.052","0.055","","","","","","1.06","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208330","18.4346","0.0012","11.6009","0.0007","8.3914","0.0005","90","","95.364","0.005","90","","1786.71","0.19","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquabarium(II)]-di-μ-2-formylbenzoato]","","- C16 H14 Ba O8 -","- C16 H14 Ba O8 -","- C64 H56 Ba4 O32 -","4","0.5","HB6311","Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","<i>catena</i>-Poly[[diaquabarium(II)]-di-μ-2-formylbenzoato]","Acta Crystallographica Section E","2006","62","3","m402","m404","10.1107/S1600536806003163","","","0.71073","MoKα","","0.0248","0.0238","","","0.0605","0.061","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208331","19.116","0.004","8.0147","0.0013","10.0475","0.0017","90","","90","","90","","1539.4","0.5","500","2","500","2","","","","","","","","5","C m c 21","C 2c -2","36","","dirubidium tricadmium tris(sulfate) dihydroxide dihydrate","","- Cd3 H6 O16 Rb2 S3 -","- Cd3 H6 O16 Rb2 S3 -","- Cd12 H24 O64 Rb8 S12 -","4","0.5","HB6312","Swain, Diptikanta; Guru Row, T. N.","Rb~2~Cd~3~(SO~4~)~3~(OH)~2~·2H~2~O: structural stability at 500K","Acta Crystallographica Section E","2006","62","3","i74","i76","10.1107/S1600536806006489","","","0.71073","MoKα","","0.0583","0.058","","","0.1371","0.1376","","","","","","1.177","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208332","14.464","0.002","15.579","0.002","17.467","0.003","90","","104.906","0.002","90","","3803.5","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-iodo-1:2κ^4^I:I-diiodo-2κ^2^I-tris(1,10'-phenanthroline)- 1κ^2^N,N';2κ^2^N,N'-bismuth(III)sodium(I)","","- C36 H24 Bi I4 N6 Na -","- C36 H24 Bi I4 N6 Na -","- C144 H96 Bi4 I16 N24 Na4 -","4","1","HB6317","Feng Li; Handong Yin; Daqi Wang","Di-μ-iodo-1:2κ^4^<i>I</i>:<i>I</i>-diiodo-2κ^2^<i>I</i>-tris(1,10-phenanthroline)-1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-bismuth(III)sodium(I)","Acta Crystallographica Section E","2006","62","3","m437","m439","10.1107/S1600536806003229","","","0.71073","MoKα","","0.0638","0.0316","","","0.063","0.0767","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208333","9.7378","0.0019","10.0428","0.0019","10.435","0.002","61.52","0.003","72.495","0.003","84.2","0.003","854.4","0.3","273","2","100","2","","","","","","","","5","P -1","-P 1","2","GB377","Tetrakis(μ~2~-2,2-dimethylpropanoato-κ^2^O,O')bis[(pyridine-κN)copper(II)]","","- C30 H46 Cu2 N2 O8 -","- C30 H46 Cu2 N2 O8 -","- C30 H46 Cu2 N2 O8 -","1","0.5","HB6318","Blewett, Gavin; Esterhuysen, Catharine; Bredenkamp, Martin W.; Koch, Klaus R.","Tetrakis(μ~2~-2,2-dimethylpropanoato-κ^2^<i>O</i>,<i>O</i>')bis[(pyridine-κ<i>N</i>)copper(II)]","Acta Crystallographica Section E","2006","62","3","m420","m422","10.1107/S1600536806003217","","","0.71073","MoKα","","0.0624","0.0455","","","0.0991","0.1032","","","","","","0.978","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208334","16.2055","0.0002","11.0902","0.0002","21.4881","0.0004","90","","99.6311","0.0006","90","","3807.46","0.11","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-Acetylpyridine)(tetraphenylporphyrinato)zinc(II)","","- C51 H35 N5 O Zn -","- C51 H35 N5 O Zn -","- C204 H140 N20 O4 Zn4 -","4","1","HB6319","Sophia Lipstman; Sumod George; Israel Goldberg","(4-Acetylpyridine)(tetraphenylporphyrinato)zinc(II)","Acta Crystallographica Section E","2006","62","3","m417","m419","10.1107/S1600536806003527","","","0.71073","MoKα","","0.1","0.0529","","","0.1242","0.1472","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208335","5.066","0.0011","5.9587","0.0012","6.9337","0.0014","70.473","0.004","72.124","0.004","89.791","0.004","186.6","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Ammonium hydrogenselenite","Ammonium hydrogenselenate(IV)","","- H5 N O3 Se -","- H5 N O3 Se -","- H10 N2 O6 Se2 -","2","1","HB6321","Weil, Matthias","Ammonium hydrogenselenate(IV)","Acta Crystallographica Section E","2006","62","3","i38","i40","10.1107/S1600536806003850","","","0.71073","MoKα","","0.0262","0.0241","","","0.0572","0.0581","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208336","13.603","0.003","9.401","0.0019","16.749","0.003","90","","90","","90","","2141.9","0.7","292","3","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","dicyanatobis(1,10-phenanthroline)manganese(II)","","- C26 H16 Mn N6 O2 -","- C26 H16 Mn N6 O2 -","- C104 H64 Mn4 N24 O8 -","4","0.5","HG2002","Li, Zhan-Xian; Yu, Ming-Ming; Ni, Zhong-Hai; Kou, Hui-Zhong; Fu, Wen-Fu","Dicyanatobis(1,10-phenanthroline)manganese(II)","Acta Crystallographica Section E","2006","62","3","m486","m487","10.1107/S1600536806004338","","","0.71073","MoKα","","0.036","0.0318","","","0.0644","0.0665","","","","","","1.053","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208337","27.322","0.006","13.494","0.004","29.838","0.005","90","","111.26","0.02","90","","10252","4","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-oxo-bis{[4,15-bis(ethoxycarbonyl)-5,14-dimethyl-2,7,13,17- tetraazatricyclo[16.4.0.0^7,12^]docosa-3,5,7,9,11,13,15,18(1),19,21-decaene- 2,17-diido]iron(III)} sesquihydrate","","- C52 H55 Fe2 N8 O10.5 -","- C52 H52 Fe2 N8 O10.5 -","- C416 H416 Fe16 N64 O84 -","8","1","HG2003","Jäger, Ernst-Gottfried; Knaudt, Jutta; Imhof, Wolfgang","μ-Oxo-bis[(diethyl 6,17-dimethyldibenzo[<i>a</i>,<i>h</i>]-5,9,14,18-tetraaza[14]annulene-7,16-dicarboxylato)iron(III)] sesquihydrate","Acta Crystallographica Section E","2006","62","3","m492","m495","10.1107/S1600536806004636","","","0.71073","MoKα","","0.0757","0.047","","","0.1099","0.1314","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208338","6.0831","0.0011","7.6736","0.0014","20.614","0.004","90","","95.796","0.003","90","","957.3","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","16-Cyano-13α-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-nor- androst-4-en-3-one","","- C21 H27 N3 O2 -","- C21 H27 N3 O2 -","- C42 H54 N6 O4 -","2","1","HG2004","Sundar, T. V.; Parthasarathi, V.; Bansal, Ranju; Ravikumar, K.; Sridhar, B.","16-Cyano-13α-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-norandrost-4-en-3-one","Acta Crystallographica Section E","2006","62","3","o1019","o1021","10.1107/S1600536806004727","","","0.71073","MoKα","","0.0662","0.0591","","","0.1478","0.1603","","","","","","1.228","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208339","11.9856","0.0007","28.2762","0.0016","15.1591","0.0009","90","","103.034","0.001","90","","5005.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro(4,4'-di-tert-butyl-2,2'-bipyridine-κ^2^N,N)bis(triphenylphosphine- κP)ruthenium(II) dichloromethane solvate","","- C55 H56 Cl4 N2 P2 Ru -","- C55 H56 Cl4 N2 P2 Ru -","- C220 H224 Cl16 N8 P8 Ru4 -","4","1","HG2005","Yan-Wei Song; Zhan Yu; Qian-Feng Zhang","Dichloro(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>)bis(triphenylphosphine-κ<i>P</i>)ruthenium(II) dichloromethane solvate","Acta Crystallographica Section E","2006","62","3","m520","m522","10.1107/S1600536806004831","","","0.71073","MoKα","","0.079","0.0472","","","0.0956","0.1064","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208340","5.6384","0.0006","18.562","0.004","11.92","0.002","90","","103.14","0.01","90","","1214.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[(4-Methylthiazol-2-ylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C11 H12 N2 O4 S -","- C11 H12 N2 O4 S -","- C44 H48 N8 O16 S4 -","4","1","HG2006","Silva, Luiz Everson da; Joussef, Antonio Carlos; Andrighetti-Fröhner, Carla Regina; Simões, Cláudia Maria Oliviera; Bortoluzzi, Adailton José","2,2-Dimethyl-5-[(4-methylthiazol-2-ylamino)methylene]-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2006","62","3","o1163","o1164","10.1107/S1600536806006064","","","0.71073","MoKα","","0.071","0.0423","","","0.1122","0.1252","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208341","7.6162","0.0001","12.7248","0.0002","14.6448","0.0002","86.626","0.001","84.153","0.001","75.61","0.001","1366.79","0.03","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-hydroxo-bis[(2,2'-bipyridine)palladium(II)] trifluoromethanesulfonate","","- C22 H18 F6 N4 O8 Pd2 S2 -","- C22 H18 F6 N4 O8 Pd2 S2 -","- C44 H36 F12 N8 O16 Pd4 S4 -","2","1","HG2008","Adrian, Rafael A.; Benson, Ronald E.; Daniels, Lee M.; Tiekink, Edward R. T.; Walmsley, Judith A.","Di-μ-hydroxo-bis[(2,2'-bipyridine)palladium(II)] trifluoromethanesulfonate","Acta Crystallographica Section E","2006","62","3","m601","m603","10.1107/S1600536806005782","","","0.71069","MoKα","","0.03","0.027","","","0.056","0.057","","","","","","1.18","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208342","9.2758","0.0018","14.886","0.003","13.785","0.003","90","","90","","90","","1903.4","0.7","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","12-Methoxy-15-(4-pyrrolidin-1-yl)podocarpa-8,11,13-trien-15-one","3-Methoxy-4b,8-dimethyl-8-(4-pyrrolidin-1-ylcarbonyl)- 4b,5,6,7,8,8a,9,10-octahydrophenanthrene","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C88 H124 N4 O8 -","4","1","HG6293","Butcher, Ray J.; Bakare, Oladapo; John, Nicole J.","12-Methoxy-15-(1-pyrrolidino)podocarpa-8,11,13-triene-15-one","Acta Crystallographica Section E","2006","62","3","o945","o947","10.1107/S1600536806001668","","","0.71073","MoKα","","0.0426","0.0351","","","0.0878","0.0914","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208343","6.3202","0.0002","10.1321","0.0004","12.4362","0.0005","104.109","0.003","103.953","0.002","102.546","0.002","716.61","0.05","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","5-Nitro-1-(2-piperidinoethyl)-1H-benzimidazole","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C28 H36 N8 O4 -","2","1","HG6295","Mehmet Akkurt; Sema Öztürk Yıldırım; Hasan Küçükbay; Nihat Şireci; Hoong-Kun Fun","5-Nitro-1-(2-piperidinoethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2006","62","3","o922","o924","10.1107/S1600536806003758","","","0.71073","MoKα","","0.1031","0.0723","","","0.1949","0.2185","","","","","","1.061","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208344","13.9279","0.001","12.4525","0.0016","21.2361","0.0013","90","","92.162","0.018","90","","3680.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium dichlorotris(2,6-dimethylphenylsulfanyl-κS)ruthenium dichloromethane solvate","","- C33 H49 Cl4 N Ru S3 -","- C33 H49 Cl4 N Ru S3 -","- C132 H196 Cl16 N4 Ru4 S12 -","4","1","HG6298","Yan-Wei Song; Zhan Yu; Qian-Feng Zhang","Tetraethylammonium dichlorotris(2,6-dimethylphenylsulfanyl-κ<i>S</i>)ruthenium dichloromethane solvate","Acta Crystallographica Section E","2006","62","3","m454","m456","10.1107/S1600536806003928","","","0.71073","MoKα","","0.0623","0.0487","","","0.0666","0.0843","","","","","","0.973","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208345","10.896","0.002","11.047","0.002","11.753","0.002","82.251","0.01","84.3","0.01","84","0.01","1388.9","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","Bis[(4-bromobenzyl)triphenylphosphonium] bis(1,2-dicyanoethane-1,2-dithiolato-κ^2^S,S')nickel(II) monohydrate","","- C58 H44 Br2 N4 Ni O P2 S4 -","- C58 H44 Br2 N4 Ni O P2 S4 -","- C58 H44 Br2 N4 Ni O P2 S4 -","1","0.5","HG6299","Shui-Bin Yang; Chun-Lin Ni","Bis[(4-bromobenzyl)triphenylphosphonium] bis(1,2-dicyanoethane-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickel(II) monohydrate","Acta Crystallographica Section E","2006","62","3","m483","m485","10.1107/S1600536806004478","","","0.71073","MoKα","","0.056","0.0525","","","0.1474","0.1487","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208346","11.6861","0.0002","11.6142","0.0002","15.5189","0.0002","90","","107.829","0.001","90","","2005.14","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tert-Butyl isocyanide-1κC-di-μ-carbonyl-2:3κ^4^C-nonacarbonyl- 1κ^3^C,2κ^3^C,3κ^3^C-triangulo-diironosmium","","- C16 H9 Fe2 N O11 Os -","- C16 H9 Fe2 N O11 Os -","- C64 H36 Fe8 N4 O44 Os4 -","4","1","HG6300","Tegel, Marcus; Evans, Cameron; Farrugia, Louis J.","<i>tert</i>-Butyl isocyanide-1κ<i>C</i>-di-μ-carbonyl-2:3κ^4^<i>C</i>-nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-diironosmium","Acta Crystallographica Section E","2006","62","3","m475","m477","10.1107/S1600536806004235","","","0.71073","MoKα","","0.0234","0.022","","","0.0534","0.0538","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208347","11.6903","0.0002","12.4357","0.0002","17.6041","0.0003","90","","91.753","0.001","90","","2558.03","0.07","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis(tert-butyl isocyanide)-1κ^2^C-di-μ-carbonyl-2:3κ^4^C-octacarbonyl- 1κ^2^C,2κ^3^C,3κ^3^C-triangulo-diironosmium","","- C20 H18 Fe2 N2 O10 Os -","- C20 H18 Fe2 N2 O10 Os -","- C80 H72 Fe8 N8 O40 Os4 -","4","1","HG6301","Tegel, Marcus; Evans, Cameron; Farrugia, Louis J.","Bis(<i>tert</i>-butyl isocyanide)-1κ^2^<i>C</i>-di-μ-carbonyl-2:3κ^4^<i>C</i>-octacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-diironosmium","Acta Crystallographica Section E","2006","62","3","m478","m479","10.1107/S1600536806004247","","","0.71073","MoKα","","0.0262","0.0206","","","0.0411","0.0421","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208348","5.0259","0.0008","9.089","0.002","10.218","0.002","90","","93.482","0.015","90","","465.9","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","L-Histidinium tetrafluoroborate","L-Histidinium tetrafluoroborate ?","","- C6 H10 B F4 N3 O2 -","- C6 H10 B F4 N3 O2 -","- C12 H20 B2 F8 N6 O4 -","2","1","HG6303","S. Gokul Raj; G. Ramesh Kumar; Thenneti Raghavalu; R. Mohan; R. Jayavel","<small>L</small>-Histidinium tetrafluoroborate","Acta Crystallographica Section E","2006","62","3","o1178","o1180","10.1107/S1600536806006192","","","1.5418","CuKα","","0.0253","0.0253","","","0.0665","0.0665","","","","","","1.085","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208349","7.0424","0.0011","7.4653","0.0012","9.0724","0.0014","111.236","0.004","93.207","0.005","109.601","0.004","410.18","0.11","100","","100","","","","","","","","","3","P -1","-P 1","2","","4-ethoxycarbonyl-3-furoic acid","","- C8 H8 O5 -","- C8 H8 O5 -","- C16 H16 O10 -","2","1","HG6304","Parkin, Andrew; Adam, Martin; Harte, Suzanne M.; Kennedy, Jennifer L.; Wilson, Chick C.","4-Ethoxycarbonyl-3-furoic acid","Acta Crystallographica Section E","2006","62","3","o987","o989","10.1107/S1600536806004429","","","0.71073","MoKα","","0.066","0.0408","","0.0978","0.0903","0.0978","","","","","","0.9282","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208350","10.4846","0.0008","11.2367","0.0009","16.7452","0.0013","80.339","0.001","79.669","0.001","65.918","0.001","1762","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Pentacarbonyl-1κ^2^C'2κ^3^C-(μ-ethyl 3-mercaptopropionato- 1κS:2κS)(μ-4-methylbenzoyl-1κO:2κC)(triphenylphosphine- 1κP)diiron(Fe—Fe)","","- C36 H31 Fe2 O8 P S -","- C36 H31 Fe2 O8 P S -","- C72 H62 Fe4 O16 P2 S2 -","2","1","HK2004","Jin-Ting Liu; Yu-Chang Du; Yan-Jun Mao; Lei Zhang; Yun-Long Wu","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-(μ-ethyl 3-mercaptopropionato-1κ<i>S</i>:2κ<i>S</i>)(μ-4-methylbenzoyl-1κ<i>O</i>:2κ<i>C</i>)(triphenylphosphine-1κ<i>P</i>)diiron(<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2006","62","3","m642","m644","10.1107/S1600536806006647","","","0.71073","MoKα","","0.0473","0.0413","","","0.1184","0.1224","","","","","","1.104","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208351","8.2889","0.0006","8.5229","0.0008","31.158","0.003","90","","90","","90","","2201.2","0.3","295","2","","","","","","","","","","3","P n a 21","P 2c -2n","33","Bis(9-ethylcarbazol-3-yl)methane","Bis(9-ethyl-9H-carbazol-3-yl)methane","","- C29 H26 N2 -","- C29 H26 N2 -","- C116 H104 N8 -","4","1","HK2005","Asker, Erol; Masnovi, John","Bis(9-ethylcarbazol-3-yl)methane","Acta Crystallographica Section E","2006","62","3","o1013","o1015","10.1107/S1600536806004685","","","0.71073","MoKα","","0.0619","0.0415","","","0.0919","0.0994","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208352","8.825","0.002","10.823","0.003","22.592","0.006","90","","90","","90","","2157.8","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tri-n-butyl(5-chloro-6-hydroxypyridine-3-carboxylato)tin(IV)","","- C18 H30 Cl N O3 Sn -","- C18 H30 Cl N O3 Sn -","- C72 H120 Cl4 N4 O12 Sn4 -","4","1","HK6074","Fa-Hui Li; Han-Dong Yin; Gang Li; Da-Qi Wang","Tri-<i>n</i>-butyl(5-chloro-6-hydroxypyridine-3-carboxylato)tin(IV)","Acta Crystallographica Section E","2006","62","3","m645","m647","10.1107/S1600536806006659","","","0.71073","MoKα","","0.0632","0.0416","","","0.1021","0.1174","","","","","","0.997","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208353","21.246","0.002","8.3301","0.0018","16.459","0.002","90","","123.109","0.006","90","","2440","0.7","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","[μ-1κC^1^:2(C^2^,C^3^-η)-Allyl]tetracarbonyl-1κ^2^C,2κ^2^C-(1η^5^- cyclopentadienyl)(2η^5^-pentamethylcyclopentadienyl)rutheniumiron hexafluorophosphate","","- C22 H25 F6 Fe O4 P Ru -","- C22 H25 F6 Fe O4 P Ru -","- C88 H100 F24 Fe4 O16 P4 Ru4 -","4","1","HK6077","Holger B. Friedrich; Evans O. Changamu; Melanie Rademeyer","[μ-1κ<i>C</i>^1^:2(C^2^,<i>C</i>^3^-η)-Allyl]tetracarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>-(1η^5^-cyclopentadienyl)(2η^5^-pentamethylcyclopentadienyl)rutheniumiron hexafluorophosphate","Acta Crystallographica Section E","2006","62","3","m405","m407","10.1107/S1600536806003394","","","0.71073","MoKα","","0.0311","0.0299","","","0.0774","0.078","","","","","","1.052","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208354","8.192","0.002","12.648","0.003","16.975","0.004","90","","93.155","0.004","90","","1756.2","0.7","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2,4-Dichlorophenyl)-5-methyl-4-(2-nitrophenylsulfonyl)-2H-1,2,4- triazol-3(4H)-one","","- C15 H10 Cl2 N4 O5 S -","- C15 H10 Cl2 N4 O5 S -","- C60 H40 Cl8 N16 O20 S4 -","4","1","HK6078","Lei Wang; Bao-Lei Wang; Zheng-Ming Li; Hai-Bin Song","2-(2,4-Dichlorophenyl)-5-methyl-4-(2-nitrophenylsulfonyl)-2<i>H</i>-1,2,4-triazol-3(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","3","o935","o937","10.1107/S1600536806002777","","","0.71073","MoKα","","0.0559","0.037","","","0.0913","0.1035","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208355","12.6228","0.0003","13.082","0.0003","10.7032","0.0002","90","","90","","90","","1767.44","0.07","233","2","233","2","","","","","","","","4","P n a 21","P 2c -2n","33","","{4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenoxy}trimethyltin(IV)","","- C18 H24 O2 Sn -","- C18 H24 O2 Sn -","- C72 H96 O8 Sn4 -","4","1","HK6081","Aziz-ur-Rehman; Ali, Saqib; Najam-ul-Haq, Muhammad; Shahzadi, Saira; Wurst, Klaus","{4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenoxy}trimethyltin(IV)","Acta Crystallographica Section E","2006","62","3","m451","m453","10.1107/S1600536806003941","","","0.71073","MoKα","","0.0191","0.0182","","","0.0448","0.0454","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208356","8.544","0.002","12.558","0.003","18.617","0.005","90","","96.63","0.03","90","","1984.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-diaquabis(N,N-diethylnicotinamide-κN)bis(3-methoxysalicylato- κO)copper(II) dihydrate","","- C36 H50 Cu N4 O14 -","- C36 H50 Cu N4 O14 -","- C72 H100 Cu2 N8 O28 -","2","0.5","HK6082","Moncol, Jan; Púčeková, Zuzana; Lis, Tadeusz; Valigura, Dušan","An enriched hydrogen-bond system in <i>trans</i>-diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>)bis(3-methoxysalicylato-κ<i>O</i>)copper(II) dihydrate","Acta Crystallographica Section E","2006","62","3","m448","m450","10.1107/S1600536806003497","","","0.71069","MoKα","","0.0418","0.0318","","","0.0801","0.0833","","","","","","1.063","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208357","18.247","0.004","14.083","0.003","14.736","0.003","90","","90","","90","","3786.7","1.4","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-(1H-Indol-3-yl)-2-[3-(4-methoxybenzoyl)thioureido]propionic acid","","- C20 H19 N3 O4 S -","- C20 H19 N3 O4 S -","- C160 H152 N24 O32 S8 -","8","1","HK6084","Ngah, Nurziana; Dariman, Najihah; Yamin, Bohari M.","3-(1<i>H</i>-Indol-3-yl)-2-[3-(4-methoxybenzoyl)thioureido]propionic acid","Acta Crystallographica Section E","2006","62","3","o1025","o1027","10.1107/S1600536806004065","","","0.71073","MoKα","","0.087","0.071","","","0.133","0.139","","","","","","1.26","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208358","9.1235","0.0012","9.4228","0.0012","23.307","0.003","90","","90.916","0.002","90","","2003.4","0.4","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1H-1,2,3-Benzotriazol-1-yl)-1-benzoylethyl 2,4-dichlorobenzoate","","- C22 H15 Cl2 N3 O3 -","- C22 H15 Cl2 N3 O3 -","- C88 H60 Cl8 N12 O12 -","4","1","HK6085","Jun Wan; Xue-Mei Li; Zheng-Zhong Peng; Shu-Sheng Zhang","2-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-1-benzoylethyl 2,4-dichlorobenzoate","Acta Crystallographica Section E","2006","62","3","o1099","o1100","10.1107/S1600536806005526","","","0.71073","MoKα","","0.0621","0.0408","","","0.0923","0.1034","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208359","6.8235","0.0005","9.5334","0.0006","16.4932","0.0011","90","","90","","90","","1072.9","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Mn Na2 O10 -","- C6 H8 Mn Na2 O10 -","- C24 H32 Mn4 Na8 O40 -","4","0.5","IS2003","Yong-Tao Wang; Gui-Mei Tang; Xu-Yang Qin","Poly[diaquadi-μ-malonato-manganese(II)disodium(I)]","Acta Crystallographica Section E","2006","62","3","m582","m584","10.1107/S1600536806005915","","","0.71073","MoKα","","0.0236","0.0221","","","0.0624","0.0638","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208360","8.0131","0.0016","29.833","0.006","8.486","0.0017","90","","110.914","0.003","90","","1895","0.7","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","catena-Poly[[[cis-diaqua(2,2'-bipyridine)cadmium(II)]-μ-3-sulfonatobenzoato] monohydrate]","","- C17 H18 Cd N2 O8 S -","- C17 H18 Cd N2 O8 S -","- C68 H72 Cd4 N8 O32 S4 -","4","1","IS2004","Miao, Xiao-He; Zhu, Long-Guan","<i>catena</i>-Poly[[[<i>cis</i>-diaqua(2,2'-bipyridine)cadmium(II)]-μ-3-sulfonatobenzoato] monohydrate]","Acta Crystallographica Section E","2006","62","3","m548","m550","10.1107/S1600536806005265","","","0.71073","MoKα","","0.084","0.063","","","0.131","0.142","","","","","","0.985","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208361","21.3104","0.0002","22.024","0.0002","11.0725","0.0001","90","","108.865","0.001","90","","4917.62","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetra-μ-1,1'-dimethyl-2,2'-bi-1H-imidazole-bis[aquacopper(II)] tetranitrate hexahydrate","","- C32 H56 Cu2 N20 O20 -","- C32 H56 Cu2 N20 O20 -","- C128 H224 Cu8 N80 O80 -","4","0.5","IS2005","Letitia M. Gruia; Fernande D. Rochon; André L. Beauchamp","Tetra-μ-1,1'-dimethyl-2,2'-bi-1<i>H</i>-imidazole-bis[aquacopper(II)] tetranitrate hexahydrate","Acta Crystallographica Section E","2006","62","3","m617","m619","10.1107/S1600536806006490","","","1.54178","CuKα","","0.0699","0.0609","","","0.1586","0.164","","","","","","0.948","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208362","15.744","0.003","11.599","0.002","17.684","0.004","90","","90.85","0.03","90","","3229","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[η^3^-2-tert-butyl-1,3-bis(trimethylsilyl)-1-azaallyl]cobalt(II)","","- C24 H56 Co N2 Si4 -","- C24 H56 Co N2 Si4 -","- C96 H224 Co4 N8 Si16 -","4","0.5","IS6180","Zhang, Yong; Tong, Hong-Bo; Liu, Dian-Sheng; Zhou, Mei-Su; Huang, Su-Ping","Bis[η^3^-2-<i>tert</i>-butyl-1,3-bis(trimethylsilyl)-1-azaallyl]cobalt(II)","Acta Crystallographica Section E","2006","62","3","m490","m491","10.1107/S1600536806004442","","","0.71073","MoKα","","0.0777","0.0639","","","0.1195","0.1266","","","","","","1.194","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208363","12.334","0.006","12.334","0.006","7.03","0.008","90","","90","","120","","926.2","1.2","149","2","149","2","","","","","","","","7","P -3","-P 3","147","","Hexakis(N,N-dimethylacetamide)nickel(II) bis(tetrafluoroborate) 0.17-hydrate","","- C24 H54.34 B2 F8 N6 Ni O6.17 -","- C24 H54.342 B2 F8 N6 Ni O6.17 -","- C24 H54.342 B2 F8 N6 Ni O6.17 -","1","0.166667","IS6285","Suzuki, Honoh; Ishiguro, Shin-ichi","Hexakis(<i>N</i>,<i>N</i>-dimethylacetamide)nickel(II) bis(tetrafluoroborate) 0.17-hydrate","Acta Crystallographica Section E","2006","62","3","m505","m507","10.1107/S1600536806004612","","","0.71069","MoKα","","0.0665","0.0605","","","0.1475","0.1529","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208364","9.602","0.005","7.78","0.004","13.478","0.007","90","","97.466","0.008","90","","998.3","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-4-(4-hydroxy-3-methoxyphenyl) but-3-en-2-one","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","JH6034","Wang, Shi-Fan; Zhou, Li-Jun; Yang, Xian","(<i>E</i>)-4-(4-Hydroxy-3-methoxyphenyl)but-3-en-2-one","Acta Crystallographica Section E","2006","62","3","o871","o872","10.1107/S1600536806001735","","","0.71073","MoKα","","0.0587","0.0461","","","0.1309","0.1401","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208365","9.061","0.002","10.523","0.003","13.035","0.003","93.573","0.004","100.78","0.003","97.351","0.004","1206.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","[2,6-Bis(8-quinolyloxymethyl)pyridine]dinitratocadmium(II)","","- C25 H19 Cd N5 O8 -","- C25 H19 Cd N5 O8 -","- C50 H38 Cd2 N10 O16 -","2","1","JH6040","Cheng-Juan Li; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang","[2,6-Bis(8-quinolyloxymethyl)pyridine]dinitratocadmium(II)","Acta Crystallographica Section E","2006","62","3","m640","m641","10.1107/S1600536806006532","","","0.71073","MoKα","","0.0727","0.0498","","","0.1162","0.1279","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208366","4.78","0.002","5.575","0.002","6.091","0.003","101.871","0.007","103.337","0.007","97.418","0.007","151.88","0.11","150","","150","","","","","","","","","3","P -1","-P 1","2","","disodium peroxodisulfate","","- Na2 O8 S2 -","- Na2 O8 S2 -","- Na2 O8 S2 -","1","0.5","JH6041","Allan, David R.","Sodium peroxodisulfate","Acta Crystallographica Section E","2006","62","3","i44","i46","10.1107/S1600536806004302","","","0.71073","MoKα","","0.045","0.0383","","0.0352","0.0336","0.0336","","","","","","1.0642","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208367","12.969","0.004","4.7125","0.0013","11.005","0.003","90","","102.614","0.017","90","","656.4","0.3","205","","205","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cylopentylamine monohydrate","","- C5 H13 N O -","- C5 H13 N O -","- C20 H52 N4 O4 -","4","1","JH6043","Allan, D. R.","Cylopentylamine monohydrate","Acta Crystallographica Section E","2006","62","3","o1064","o1066","10.1107/S1600536806005198","","","0.6813","synchrotron","","0.1101","0.0558","","0.0628","0.054","0.054","","","","","","1.1305","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208368","7.5047","0.0006","11.3643","0.0009","19.367","0.0015","100.981","0.001","100.913","0.001","104.753","0.001","1518","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aquadichloro(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N)copper(II)","","- C14 H14 Cl2 Cu N2 O -","- C14 H14 Cl2 Cu N2 O -","- C56 H56 Cl8 Cu4 N8 O4 -","4","2","KP6080","Cai-Feng Ding; Xue-Mei Li; Mei Zhu; Hong Xu; Shu-Sheng Zhang","Aquadichloro(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)copper(II)","Acta Crystallographica Section E","2006","62","3","m604","m605","10.1107/S1600536806006349","","","0.71073","MoKα","","0.0532","0.04","","","0.0988","0.1072","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208369","26.915","0.003","8.9166","0.0011","18.505","0.002","90","","119.443","0.002","90","","3867.4","0.8","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis{2-[3-(cyclohexylamino)propyliminomethyl]-4-nitrophenolato}copper(II) diperchlorate","","- C32 H46 Cl2 Cu N6 O14 -","- C32 H46 Cl2 Cu N6 O14 -","- C128 H184 Cl8 Cu4 N24 O56 -","4","1","KP6081","Sun, Yu-Xi; Qin, Mei; Gu, Ke-Qiang; Yang, Guang; Xie, Fei","Bis{2-[3-(cyclohexylamino)propyliminomethyl]-4-nitrophenolato}copper(II) diperchlorate","Acta Crystallographica Section E","2006","62","3","m423","m425","10.1107/S1600536806002790","","","0.71073","MoKα","","0.2072","0.0924","","","0.0951","0.1147","","","","","","0.947","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208370","22.784","0.001","4.3504","0.0002","9.2672","0.0006","90","","90","","90","","918.56","0.08","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","6-Acetyl-2-(N-methylamido)pyridine","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","LH2004","Su, Bi-Yun; Zhao, Jian-She; Ng, Seik Weng","6-Acetyl-2-(<i>N</i>-methylamido)pyridine","Acta Crystallographica Section E","2006","62","3","o1151","o1152","10.1107/S1600536806006015","","","0.71073","MoKα","","0.081","0.046","","","0.131","0.165","","","","","","0.96","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208371","18.74","0.004","6.16","0.0012","25.637","0.005","90","","92.54","0.03","90","","2956.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-[(1,3-Dioxo-2-azaspiro[4.5]decan-2-yl)amino]benzoic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","1","LH6559","Dzierżawska-Majewska, Agnieszka; Karolak-Wojciechowska, Janina; Obniska, Jolanta","4-[(1,3-Dioxo-2-azaspiro[4.5]decan-2-yl)amino]benzoic acid","Acta Crystallographica Section E","2006","62","3","o931","o932","10.1107/S1600536806003515","","","1.54178","CuKα","","0.0763","0.0564","","","0.1391","0.1497","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208372","10.386","0.004","20.924","0.003","16.584","0.006","90","","92.87","0.02","90","","3599","2","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","catena-Poly[tributyltin(IV)-μ-acetato]","","- C14 H30 O2 Sn -","- C14 H30 O2 Sn -","- C112 H240 O16 Sn8 -","8","2","LH6565","Saeed, M. Adeel; Rauf, M. Khawar.; Craig, D. C.; Badshah, Amin; Ali, Saqib","<i>catena</i>-Poly[tributyltin(IV)-μ-acetato]","Acta Crystallographica Section E","2006","62","3","m469","m471","10.1107/S1600536806003904","","","0.71073","MoKα","","","0.053","","","","0.06","","","","","","1.87","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208373","22.0859","0.0016","19.817","0.0016","20.7479","0.0016","90","","106.629","0.002","90","","8701.1","1.2","292","2","292","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[1,1'-Bis(diphenylphosphino)cobaltocenium-κ^2^P,P']chloro(η^5^- pentamethylcyclopentadienyl)ruthenium(II) hexafluorophosphate dichloromethane hemisolvate","","- C44.5 H44 Cl2 Co F6 P3 Ru -","- C44.5 H44 Cl2 Co F6 P3 Ru -","- C356 H352 Cl16 Co8 F48 P24 Ru8 -","8","1","LH6573","Wu, Xiang-Hua; Ren, Yong; Yu, Guang-Ao; Liu, Sheng-Hua","[1,1'-Bis(diphenylphosphino)cobaltocenium-κ^2^<i>P</i>,<i>P</i>']chloro(η^5^-pentamethylcyclopentadienyl)ruthenium(II) hexafluorophosphate dichloromethane hemisolvate","Acta Crystallographica Section E","2006","62","3","m426","m428","10.1107/S1600536806003011","","","0.71073","MoKα","","0.0603","0.0489","","","0.1379","0.1443","","","","","","1.035","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2208374","21.198","0.007","8.36","0.003","16.611","0.007","90","","123.43","0.03","90","","2456.7","1.8","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[μ-1κC^1^:2(C^2^,C^3^-η)-Allyl]tetracarbonyl-1κ^2^C,2κ^2^C-(1η^5^- cyclopentadienyl)(2η^5^-pentamethylcyclopentadienyl)diiron hexafluorophosphate","","- C22 H25 F6 Fe2 O4 P -","- C22 H25 F6 Fe2 O4 P -","- C88 H100 F24 Fe8 O16 P4 -","4","1","LH6583","Evans O. Changamu; Holger B. Friedrich; Melanie Rademeyer","[μ-1κ<i>C</i>^1^:2(C^2^,<i>C</i>^3^-η)-Allyl]tetracarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>-(1η^5^-cyclopentadienyl)(2η^5^-pentamethylcyclopentadienyl)diiron(II) hexafluorophosphate","Acta Crystallographica Section E","2006","62","3","m442","m444","10.1107/S1600536806003503","","","0.71073","MoKα","","0.1006","0.0605","","","0.1196","0.1336","","","","","","0.861","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208375","6.1892","0.001","19.1693","0.0004","9.3312","0.001","90","","93.667","0.01","90","","1104.8","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-Hydroxy-2-[3-fluoropyridinium-1-yl]ethylidene-1,1-bisphosphonate","[2-(3-Fluoropyridinium-1-yl)‒1-hydroxy-1-phosphonoethyl]phosphonate","","- C7 H10 F N O7 P2 -","- C7 H10 F N O7 P2 -","- C28 H40 F4 N4 O28 P8 -","4","1","LH6584","Michael P. Hudock; Rong Cao; Yonghui Zhang; Wilson, Scott R.; Eric Oldfield","[2-(3-Fluoropyridinium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate","Acta Crystallographica Section E","2006","62","3","o1003","o1005","10.1107/S1600536806004387","","","0.71073","MoKα","","0.0423","0.0325","","","0.0814","0.0876","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208376","7.1107","0.0002","10.2149","0.0003","15.1091","0.0004","90","","101.653","0.01","90","","1074.83","0.06","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Hydroxy-2-(dimethylsulfonium-1-yl)ethylidene 1,1-bisphosphonate monohydrate","[2-(Dimethylsulfonio)-1-hydroxy-1-phosphonoethyl]phosphonate monohydrate","","- C4 H14 O8 P2 S -","- C4 H14 O8 P2 S -","- C16 H56 O32 P8 S4 -","4","1","LH6585","Yonghui Zhang; Rong Cao; Michael P. Hudock; Wilson, Scott R.; Eric Oldfield","[2-(Dimethylsulfonio)-1-hydroxy-1-phosphonoethyl]phosphonate monohydrate","Acta Crystallographica Section E","2006","62","3","o1006","o1008","10.1107/S1600536806004405","","","0.71073","MoKα","","0.0289","0.0243","","","0.0684","0.0708","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208377","8.3693","0.0013","13.072","0.002","31.603","0.005","90","","90","","90","","3457.5","0.9","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(Acetoxymethyl)-2-[(2R,3R,4R,5S)-3,4-diacetoxy-2,5-bis(chloromethyl)- 2,3,4,5-tetrahydrofuran-2-yloxy]-5-chloro-3,4,5,6-tetrahydro-2H-pyran-3,4-diyl diacetate toluene solvate","","- C29 H37 Cl3 O13 -","- C29 H37 Cl3 O13 -","- C116 H148 Cl12 O52 -","4","1","LH6586","Hui-Liang Wen; Zhi-Jie Fang; Zi-Sheng Wu; Ming-Yong Xie","6-(Acetoxymethyl)-5-chloro-2-[(2<i>R</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-3,4-diacetoxy-2,5-bis(chloromethyl)-2,3,4,5-tetrahydrofuran-2-yloxy]-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3,4-diyl diacetate toluene solvate","Acta Crystallographica Section E","2006","62","3","o1157","o1159","10.1107/S1600536806006167","","","0.71073","MoKα","","0.138","0.0628","","","0.1216","0.153","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208378","12.902","0.002","8.6229","0.0014","18.972","0.003","90","","101.588","0.003","90","","2067.7","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(2-ethyl-5-hydroxymethyl-3-thienyl)-3,3,4,4,5,5- hexafluorocyclopent-1-ene","","- C19 H18 F6 O2 S2 -","- C19 H18 F6 O2 S2 -","- C76 H72 F24 O8 S8 -","4","1","LH6587","Yang, Tian-She; Pu, Shou-Zhi; Luo, Fu-Sheng; Xu, Jing-Kun","1,2-Bis(2-ethyl-5-hydroxymethyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene, a new photochromic diarylethene compound","Acta Crystallographica Section E","2006","62","3","o1136","o1138","10.1107/S160053680600540X","","","0.71073","MoKα","","0.0921","0.0506","","","0.1315","0.1574","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208379","9.6159","0.0003","20.6781","0.0007","8.3921","0.0002","90","","90","","90","","1668.67","0.09","83","2","83","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","adamantane-1,2-diol","","- C10 H16 O2 -","- C10 H16 O2 -","- C80 H128 O16 -","8","1","LH6588","Mo Aung Myint; Price, Jason R.; Eng Wui Tan","Adamantane-1,2-diol","Acta Crystallographica Section E","2006","62","3","o1139","o1140","10.1107/S1600536806003734","","","0.71073","MoKα","","0.0781","0.0613","","","0.1644","0.1758","","","","","","1.033","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208380","12.7941","0.0009","13.5868","0.0008","9.5283","0.0006","90","","90","","90","","1656.31","0.18","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,6-dichlorobenzamide","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C56 H40 Cl16 N8 O8 -","8","1","LH6591","Rauf, M. Khawar; Badshah, Amin; Bolte, Michael; Saeed, Aamer","2,6-Dichlorobenzamide","Acta Crystallographica Section E","2006","62","3","o1070","o1071","10.1107/S1600536806005289","","","0.71073","MoKα","","0.0314","0.0301","","","0.0769","0.0778","","","","","","1.109","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208381","11.25","0.001","15.38","0.001","18.616","0.002","90","","95.31","0.01","90","","3207.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","25,27-bis(benzyloxy)-26,28-dihydroxycalix[4]arene","","- C42 H36 O4 -","- C42 H36 O4 -","- C168 H144 O16 -","4","1","LH6592","Bolte, Michael","A monoclinic polymorph of 25,27-bis(benzyloxy)-26,28-dihydroxycalix[4]arene","Acta Crystallographica Section E","2006","62","3","o957","o959","10.1107/S1600536806004016","","","0.71073","MoKα","","0.1054","0.0533","","","0.1196","0.1448","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208382","7.5199","0.0003","20.9079","0.0008","11.5755","0.0004","90","","100.135","0.001","90","","1791.56","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(dipicolinato-κ^3^O,N,O')(1,10-phenanthroline-κ^2^N,N)zinc(II) monohydrate","","- C19 H15 N3 O6 Zn -","- C19 H15 N3 O6 Zn -","- C76 H60 N12 O24 Zn4 -","4","1","LH6593","Harrison, William T. A.; Ramadevi, Palani; Kumaresan, Sudalaiandi","Aqua(dipicolinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) monohydrate","Acta Crystallographica Section E","2006","62","3","m513","m515","10.1107/S160053680600420X","","","0.71073","MoKα","","0.0518","0.031","","","0.0744","0.0804","","","","","","0.967","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2208383","8.877","0.003","15.602","0.006","14.17","0.004","90","","90","","90","","1962.5","1.1","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","catena-Poly[[bis(isothiocyanato-κN)copper(II)]bis(μ-1,1'-methylenedi-1H- imidazole-κN^3^:κN^3'^)]","","- C16 H16 Cu N10 S2 -","- C16 H16 Cu N10 S2 -","- C64 H64 Cu4 N40 S8 -","4","","LH6595","Cui, Guang-Hua; Dong, Gui-Ying; Ribas Joan","<i>catena</i>-Poly[[bis(isothiocyanato-κ<i>N</i>)copper(II)]bis(μ-1,1'-methylenedi-1<i>H</i>-imidazole-κ<i>N</i>^3^:κ<i>N</i>^3'^)]","Acta Crystallographica Section E","2006","62","3","m523","m525","10.1107/S1600536806004843","","","0.71073","MoKα","","0.0425","0.0297","","","0.0661","0.0708","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208384","8.849","0.0001","17.8429","0.0002","18.3058","0.0002","90","","103.783","0.0008","90","","2807.11","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-N-Acetylamino-5-[N-acetyl-N-(tetra-O-acetyl-β-D- glucopyranosyl)amino]-1,3-dimethyluracil","","- C24 H32 N4 O13 -","- C24 H32 N4 O13 -","- C96 H128 N16 O52 -","4","2","LH6596","Sánchez Rodrigo, Adolfo; Nogueras Montiel, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","4-<i>N</i>-Acetylamino-5-[<i>N</i>-acetyl-<i>N</i>-(tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)amino]-1,3-dimethyluracil","Acta Crystallographica Section E","2006","62","3","o969","o971","10.1107/S1600536806004223","","","0.71073","MoKα","","0.0419","0.0346","","","0.0829","0.0868","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208385","20.543","0.008","6.179","0.002","12.394","0.005","90","","98.35","0.03","90","","1556.6","1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cyclopent-3-ene-1,1-dicarboxylic acid","","- C7 H8 O4 -","- C7 H8 O4 -","- C56 H64 O32 -","8","1","LH6597","Bolte, Michael","Cyclopent-3-ene-1,1-dicarboxylic acid","Acta Crystallographica Section E","2006","62","3","o985","o986","10.1107/S1600536806004375","","","0.71073","MoKα","","0.112","0.0637","","","0.1767","0.2165","","","","","","0.945","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208386","16.927","0.001","36.212","0.002","8.5413","0.0007","90","","90","","90","","5235.5","0.6","173","2","173","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","ortho-Bis(dimethylsilyl)hexamethyldecasilasesquioxane","","- C10 H30 O11 Si8 -","- C10 H30 O11 Si8 -","- C80 H240 O88 Si64 -","8","1","NC2002","Bolte, Michael","<i>ortho</i>-Bis(dimethylsilyl)hexamethyldecasilasesquioxane","Acta Crystallographica Section E","2006","62","3","o983","o984","10.1107/S1600536806004545","","","0.71073","MoKα","","0.099","0.0704","","","0.1545","0.1632","","","","","","1.252","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208387","11.6508","0.0002","26.039","0.0004","12.0569","0.0002","90","","96.753","0.001","90","","3632.39","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(3-nitrophenyl)isophthalamide tetrabutylammonium chloride","","- C36 H50 Cl N5 O6 -","- C36 H50 Cl N5 O6 -","- C144 H200 Cl4 N20 O24 -","4","1","NC2003","Light, Mark E.; Gale, Philip A.; Navakhun, Korakot","<i>N</i>,<i>N</i>'-Bis(3-nitrophenyl)isophthalamide tetrabutylammonium chloride","Acta Crystallographica Section E","2006","62","3","o1097","o1098","10.1107/S1600536806005447","","","0.71073","MoKα","","0.065","0.0542","","","0.1408","0.1493","","","","","","0.985","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208388","7.4898","0.0009","7.5517","0.0007","9.778","0.0001","103.876","0.009","111.19","0.001","97.711","0.008","485.48","0.08","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","bis(ethylenediammonium) diaquabis[hydrogendiphosphato(3-)]nickel(II)","","- C4 H26 N4 Ni O16 P4 -","- C4 H26 N4 Ni O16 P4 -","- C4 H26 N4 Ni O16 P4 -","1","0.5","NC6053","Essehli, Rachid; El Bali, Brahim; Lachkar, Mohammed; Svoboda, Ingrid; Fuess, Hartmut","Bis(ethylenediammonium) diaquabis[hydrogendiphosphato(3‒)]nickelate(II): structure and vibrational spectroscopy","Acta Crystallographica Section E","2006","62","3","m538","m541","10.1107/S1600536806004399","","","0.71073","MoKα","","0.0399","0.0325","","","0.0858","0.0888","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208389","8.973","0.0003","7.1165","0.0002","15.2972","0.0005","90","","90","","90","","976.82","0.05","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,2-dibromo-4,5-dimethyl-3-nitrobenzene‒ 1,2-dibromo-4,5,6-trimethyl-3-nitrobenzene (1/1)","","- C17 H16 Br4 N2 O4 -","- C17 H16 Br4 N2 O4 -","- C34 H32 Br8 N4 O8 -","2","0.25","NC6061","Janet M. S. Skakle; Björn Gojdka; James L. Wardell","Cocrystallized 1,2-dibromo-4,5-dimethyl-3-nitrobenzene and 1,2-dibromo-4,5,6-trimethyl-3-nitrobenzene","Acta Crystallographica Section E","2006","62","3","o1001","o1002","10.1107/S1600536806003631","","","0.71073","MoKα","","0.0377","0.0298","","","0.07","0.0734","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208390","9.253","0.006","10.897","0.007","14.311","0.009","106.403","0.01","92.296","0.01","102.087","0.009","1346","1.5","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","trans-Dichlorobis(10-dodecyl-9-phospha-10-silatriptycene-κP)palladium(II)","","- C60 H74 Cl2 P2 Pd Si2 -","- C60 H74 Cl2 P2 Pd Si2 -","- C60 H74 Cl2 P2 Pd Si2 -","1","0.5","NG2002","Hayato Tsuji; Tomoyuki Inoue; Shohei Sase; Kohei Tamao","<i>trans</i>-Dichlorobis(10-dodecyl-9-phospha-10-silatriptycene-κ<i>P</i>)palladium(II)","Acta Crystallographica Section E","2006","62","3","m535","m537","10.1107/S1600536806004958","","","0.7107","MoKα","","0.0424","0.0337","","","0.0755","0.0797","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208391","16.0024","0.0016","16.0024","","9.9608","0.0019","90","","90","","120","","2209","0.5","291","2","291","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Tris(ethylenediamine)nickel(II) tetraoxomolybdate(VI)","","- C6 H24 Mo N6 Ni O4 -","- C6 H24 Mo N6 Ni O4 -","- C36 H144 Mo6 N36 Ni6 O24 -","6","0.5","NG2003","Bi-Zhou Lin; Guo-Hua Han; Feng Geng; Cong Ding","Tris(ethylenediamine)nickel(II) tetraoxomolybdate(VI)","Acta Crystallographica Section E","2006","62","3","m532","m534","10.1107/S1600536806004971","","","0.71073","MoKα","","0.0429","0.0401","","","0.1498","0.1527","","","","","","1.019","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208392","24.44","0.002","6.9711","0.0006","23.924","0.002","90","","119.728","0.006","90","","3539.6","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[(3,5-dimethyl-1H-pyrazole-κN^2^)copper(II)]-μ-[(3,5-dimethyl- 1H-pyrazol-1-yl)methylamino]acetato] nitrate monohydrate]","","- C13 H22 Cu N6 O6 -","- C13 H22 Cu N6 O6 -","- C104 H176 Cu8 N48 O48 -","8","1","NG2004","Abdeljalil, El Fatmi; Najib, Ben Larbi; Abdelali, Kerbal; El Bali, Brahim; Bolte, Michael","<i>catena</i>-Poly[[[(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^) copper(II)]-μ-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methylamino]acetato] nitrate monohydrate]","Acta Crystallographica Section E","2006","62","3","m551","m552","10.1107/S1600536806005241","","","0.71073","MoKα","","0.0422","0.0357","","","0.0955","0.0978","","","","","","0.968","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208393","14.5499","0.0006","12.8873","0.0006","23.9692","0.0009","90","","114.167","0.003","90","","4100.5","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(3,5-Dimethylpyridine)bis(tri-tert-butoxysilanethiolato)cadmium(II)","","- C31 H63 Cd N O6 S2 Si2 -","- C31 H63 Cd N O6 S2 Si2 -","- C124 H252 Cd4 N4 O24 S8 Si8 -","4","1","NG2006","Dołȩga, Anna; Chojnacki, Jarosław; Konitz, Antoni; Komuda, Wioletta; Wojnowski, Wiesław","(3,5-Dimethylpyridine)bis(tri-<i>tert</i>-butoxysilanethiolato)cadmium(II)","Acta Crystallographica Section E","2006","62","3","m636","m639","10.1107/S1600536806006258","","","0.71073","MoKα","","0.0421","0.0396","","","0.0968","0.0985","","","","","","1.075","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208394","5.538","0.0011","14.508","0.003","15.908","0.003","90","","90","","90","","1278.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Tyrosine n-butyl ester","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","NG6285","Qian, Shao-Song; Jiao, Qing-Cai; Zhu, Hai-Liang; Tiekink, Edward R. T.","<small>L</small>-Tyrosine <i>n</i>-butyl ester","Acta Crystallographica Section E","2006","62","3","o882","o884","10.1107/S1600536806003606","","","0.71073","MoKα","","0.061","0.05","","","0.125","0.133","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208395","8.0002","0.0008","11.3868","0.0011","21.446","0.002","90","","100.04","0.002","90","","1923.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-chloro-μ-(dimethyl sulfide)-bis[dichloro(dimethyl sulfide)niobium(III)]","","- C6 H18 Cl6 Nb2 S3 -","- C6 H18 Cl6 Nb2 S3 -","- C24 H72 Cl24 Nb8 S12 -","4","1","OB6606","Kakeya, Masaki; Fujihara, Takashi; Nagasawa, Akira","Di-μ-chloro-μ-(dimethyl sulfide)-bis[dichloro(dimethyl sulfide)niobium(III)]","Acta Crystallographica Section E","2006","62","3","m553","m554","10.1107/S1600536806005149","","","0.71073","MoKα","","0.0255","0.0228","","","0.0548","0.0558","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208396","7.945","0.002","8.729","0.003","9.161","0.003","65.04","0.02","86.86","0.03","67.59","0.02","528.2","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","trans-Bis(4-aminopyridine-κN)bis(succinimidato-κN)copper(II) dihydrate","","- C18 H24 Cu N6 O6 -","- C18 H24 Cu N6 O6 -","- C18 H24 Cu N6 O6 -","1","0.5","OB6607","Akitsu, Takashiro; Einaga, Yasuaki","<i>trans</i>-Bis(4-aminopyridine-κ<i>N</i>)bis(succinimidato-κ<i>N</i>)copper(II) dihydrate","Acta Crystallographica Section E","2006","62","3","m625","m627","10.1107/S1600536806006209","","","0.71073","MoKα","","0.0933","0.0519","","","0.1366","0.1576","","","","","","1.062","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208397","22.6201","0.0008","22.6201","0.0008","16.3918","0.0012","90","","90","","90","","8387.2","0.7","295","2","","","","","","","","","","3","I 41/a :2","-I 4ad","88","9,9'-Diethyl-3,3'-dicarbazolyl","9,9'-Diethyl-3,3'-di-9H-carbazolyl","","- C28 H24 N2 -","- C28 H24 N2 -","- C448 H384 N32 -","16","1","OM2002","Asker, Erol; Masnovi, John","9,9'-Diethyl-3,3'-di-9<i>H</i>-carbazolyl","Acta Crystallographica Section E","2006","62","3","o1133","o1135","10.1107/S160053680600571X","","","0.71073","MoKα","","","0.0604","","","","0.1352","","","","","","0.859","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208398","12.205","0.002","20.79","0.004","17.234","0.003","90","","101","0.03","90","","4292.6","1.4","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[N,N'-bis(trimethylsilyl)benzamidinato]diethylhafnium(IV)","","- C30 H56 Hf N4 Si4 -","- C30 H56 Hf N4 Si4 -","- C120 H224 Hf4 N16 Si16 -","4","1","OM2003","Fischer, Reinald; Walther, Dirk; Imhof, Wolfgang","Bis[<i>N</i>,<i>N</i>'-bis(trimethylsilyl)benzamidinato]diethylhafnium(IV)","Acta Crystallographica Section E","2006","62","3","m568","m570","10.1107/S1600536806005721","","","0.71073","MoKα","","0.0768","0.0408","","","0.092","0.1102","","","","","","1.206","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208399","7.4549","0.0003","10.2413","0.0004","12.4397","0.0009","90.141","0.004","92.127","0.003","90.463","0.001","949.06","0.09","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","cis-Diaqua(1,10-phenanthroline-κ^2^N,N')(pyridine-2,5-dicarboxylato- κ^2^N,O)manganese(II) monohydrate","","- C19 H17 Mn N3 O7 -","- C19 H17 Mn N3 O7 -","- C38 H34 Mn2 N6 O14 -","2","1","OM6284","Shu-Min Zhao; Tian-Xing Wu","<i>cis</i>-Diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>)manganese(II) monohydrate","Acta Crystallographica Section E","2006","62","3","m508","m510","10.1107/S1600536806002510","","","0.71069","MoKα","","0.0386","0.0311","","","0.085","0.0925","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208400","8.6005","0.0005","13.7002","0.001","14.8204","0.0013","90","","90","","90","","1746.3","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Dichloro-O-(dimethylformamide)[hydrotris(pyrazol-1-yl)borato]vanadium(III) Chloro-O-(N,N-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]oxovanadium(IV)","dichloro(N,N-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]vanadium(III) chloro(N,N-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]oxovanadium(IV)","","- C24 H34 B2 Cl3.06 N14 O2.94 V2 -","- C24 H34 B2 Cl3.06 N14 O2.94 V2 -","- C48 H68 B4 Cl6.12 N28 O5.88 V4 -","2","0.5","OM6287","McLauchlan, Craig C.; McDonald, Kenneth J.","Cocrystallization of dichloro(<i>N</i>,<i>N</i>-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]vanadium(III) with its partially oxidized analog chloro(<i>N</i>,<i>N</i>-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]oxovanadium(IV)","Acta Crystallographica Section E","2006","62","3","m588","m590","10.1107/S1600536806005423","","","0.71073","MoKα","","0.0583","0.0495","","","0.1278","0.1337","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208401","9.5382","0.0016","13.749","0.002","25.434","0.004","90","","93.214","0.003","90","","3330.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridine)[2-(2-pyridyl)-1H-benzimidazol-1-yl]ruthenium(II) perchlorate acetonitrile solvate monohydrate","","- C34 H29 Cl N8 O5 Ru -","- C34 H29 Cl N8 O5 Ru -","- C136 H116 Cl4 N32 O20 Ru4 -","4","1","OM6290","Yun-Jun Liu; Hui Chao; Hui-Juan Yu; Yi-Xian Yuan; Liang-Nian Ji","Bis(2,2'-bipyridine)[2-(2-pyridyl)-1<i>H</i>-benzimidazol-1-yl]ruthenium(II) perchlorate acetonitrile solvate monohydrate","Acta Crystallographica Section E","2006","62","3","m585","m587","10.1107/S1600536806005459","","","0.71073","MoKα","","0.0403","0.0334","","","0.091","0.0963","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208402","9.942","0.003","14.854","0.004","13.175","0.004","90","","107.502","0.004","90","","1855.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6,6-Dithiobis(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazolium) dichloride methanol solvate dihydrate","","- C11 H22 Cl2 N6 O3 S2 -","- C11 H22 Cl2 N6 O3 S2 -","- C44 H88 Cl8 N24 O12 S8 -","4","1","RN6065","Song, Bing-Zhan; Song, Jian","6,6-Dithiobis(6,7-dihydro-5<i>H</i>-pyrazolo[1,2-<i>a</i>][1,2,4]triazolium) dichloride methanol solvate dihydrate","Acta Crystallographica Section E","2006","62","3","o1044","o1045","10.1107/S1600536806004910","","","0.71073","MoKα","","0.0529","0.0353","","","0.0832","0.0911","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208403","13.5589","0.0015","11.662","0.0012","10.7025","0.0011","90","","101.758","0.002","90","","1656.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2RS,3SR,5RS,6SR)-Bicyclo[2.2.1]heptane-2,3,5,6-tetryl tetraacetate","","- C15 H20 O8 -","- C15 H20 O8 -","- C60 H80 O32 -","4","1","RN6078","Ustabaş, Reşat; Çoruh, Ufuk; Yavuz, Metin; Salamci, Emine; Vázquez-López, Ezequiel M.","(2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,6<i>SR</i>)-Bicyclo[2.2.1]heptane-2,3,5,6-tetryl tetraacetate","Acta Crystallographica Section E","2006","62","3","o1149","o1150","10.1107/S1600536806006143","","","0.71073","MoKα","","0.1895","0.0989","","","0.2517","0.3122","","","","","","0.932","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208404","9.766","0.003","10.355","0.003","13.017","0.004","81.669","0.004","74.176","0.004","81.141","0.004","1244","0.7","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyridine","","- C14 H11 Br N2 O -","- C14 H11 Br N2 O -","- C56 H44 Br4 N8 O4 -","4","2","RN6085","Gui-Yun Duan; Chang-Bing Tu; Ya-Wei Sun; Da-Tong Zhang; Jian-Wu Wang","2-(3-Bromo-4-methoxyphenyl)imidazo[1,2-<i>a</i>]pyridine","Acta Crystallographica Section E","2006","62","3","o1141","o1142","10.1107/S1600536806005836","","","0.71073","MoKα","","0.0726","0.0506","","","0.1208","0.1315","","","","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208405","8.8767","0.0013","9.25","0.0013","9.437","0.0013","71.89","0.002","63.062","0.002","76.166","0.002","652.14","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (3,4,5-tribromo-1H-pyrrole-2-carboxamido)acetate","","- C9 H9 Br3 N2 O3 -","- C9 H9 Br3 N2 O3 -","- C18 H18 Br6 N4 O6 -","2","1","RZ2003","Xiang-Chao Zeng; Jian-Xin Meng","Ethyl (3,4,5-tribromo-1<i>H</i>-pyrrole-2-carboxamido)acetate","Acta Crystallographica Section E","2006","62","3","o990","o991","10.1107/S1600536806004508","","","0.71073","MoKα","","0.0477","0.0356","","","0.0931","0.0993","","","","","","1.042","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208406","19.807","0.003","17.423","0.002","13.4721","0.0018","90","","92.435","0.002","90","","4645","1.1","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(tetraethylammonium) bis[N-(2-mercaptobenzoyl)-1,3-benzothiazole-2-carboxamidato]cobaltate(III) chloride","","- C46 H56 Cl Co N6 O4 S4 -","- C46 H56 Cl Co N6 O4 S4 -","- C184 H224 Cl4 Co4 N24 O16 S16 -","4","1","RZ2004","Frome, Michelle J.; Cooper, Lisa E.; Lewis, Breia J.; Ferguson, Michael J.; Daley, Christopher J. A.","Bis(tetraethylammonium) bis[<i>N</i>-(2-mercaptobenzoyl)-1,3-benzothiazole-2-carboxamidato]cobaltate(III) chloride","Acta Crystallographica Section E","2006","62","3","m555","m557","10.1107/S1600536806005356","","","0.71073","MoKα","","0.0906","0.0483","","","0.1044","0.1281","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208407","17.966","0.004","5.8413","0.0011","31.627","0.006","90","","98.582","0.003","90","","3281.9","1.1","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","10-(4-Bromostyryl)anthracene","","- C22 H15 Br -","- C22 H15 Br -","- C176 H120 Br8 -","8","2","RZ6165","Wu, Jie-Ying; Li, Lin; Tian, Lei","10-(4-Bromostyryl)anthracene","Acta Crystallographica Section E","2006","62","3","o1011","o1012","10.1107/S160053680600451X","","","0.71073","MoKα","","0.0805","0.0431","","","0.0901","0.1013","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208408","7.2886","0.001","7.9631","0.0011","10.2758","0.0014","105.937","0.002","103.444","0.002","93.211","0.002","553.17","0.13","292","2","292","2","","","","","","","","3","P -1","-P 1","2","3,5-dimthoxyhomophthalic acid","2-(Carboxymethyl)-4,6-dimethoxybenzoic acid","","- C11 H12 O6 -","- C11 H12 O6 -","- C22 H24 O12 -","2","1","RZ6167","Ghulam Qadeer; Nasim Hasan Rama; Qing-Shan Li","2-(Carboxymethyl)-4,6-dimethoxybenzoic acid","Acta Crystallographica Section E","2006","62","3","o906","o907","10.1107/S1600536806003345","","","0.71073","MoKα","","0.0493","0.0437","","","0.1208","0.1255","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208409","9.003","0.003","10.892","0.004","13.802","0.005","76.427","0.006","71.484","0.006","84.656","0.007","1247.3","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","(Z)-2-Amino-5-dibenzylamino-6-phenyl-1-(2-pyridyl)hex-2-en-3-one","","- C31 H31 N3 O -","- C31 H31 N3 O -","- C62 H62 N6 O2 -","2","1","RZ6168","Meng, Jie; Zheng,Jian-Feng; Fang, Hua; Jin, Li-Ren","(<i>Z</i>)-5-Amino-2-dibenzylamino-1-phenyl-6-(2-pyridyl)hex-4-en-3-one","Acta Crystallographica Section E","2006","62","3","o938","o939","10.1107/S1600536806003795","","","0.71073","MoKα","","0.0799","0.0636","","","0.1662","0.1782","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208410","10.616","0.003","7.2262","0.0019","21.64","0.005","90","","119.164","0.01","90","","1449.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2-azidoethyl) isophthalate","","- C12 H12 N6 O4 -","- C12 H12 N6 O4 -","- C48 H48 N24 O16 -","4","1","RZ6169","Xiao-Ru Zhang; Shu-Sheng Zhang; Min-Hua Xu; Xue-Mei Li","Bis(2-azidoethyl) isophthalate","Acta Crystallographica Section E","2006","62","3","o1040","o1041","10.1107/S1600536806004909","","","0.71073","MoKα","","0.0874","0.0527","","","0.1215","0.1416","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208411","15.6711","0.0013","5.8068","0.0002","18.7764","0.0013","90","","111.706","0.006","90","","1587.48","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-benzoyl-4-[(4-methylphenyl)diazenyl]phenol","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","RZ6170","Özdemir Gonca; Işık Şamil; Albayrak, Çiğdem; Ağar Erbil","(<i>E</i>)-2-Benzoyl-4-[(4-methylphenyl)diazenyl]phenol","Acta Crystallographica Section E","2006","62","3","o899","o900","10.1107/S1600536806003382","","","0.71073","MoKα","","0.0628","0.0403","","","0.1053","0.1149","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208412","7.3344","0.0009","10.0494","0.0012","13.2454","0.0016","84.741","0.002","86.943","0.002","73.305","0.002","930.8","0.2","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","Ethylenediammonium disaccharinate","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","RZ6171","Wang, Zi-Liang; Wei, Lin-Heng; Li, Ming-Xue; Niu, Jing-Yang","Ethylenediammonium disaccharinate","Acta Crystallographica Section E","2006","62","3","o1058","o1059","10.1107/S1600536806005046","","","0.71073","MoKα","","0.0557","0.0451","","","0.1164","0.1224","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208413","7.697","0.0011","15.892","0.002","12.0775","0.0017","90","","100.999","0.002","90","","1450.2","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzoyl-3-(4-cyano-5-methylsulfanyl-1H-pyrazol-3-yl)thiourea","","- C13 H11 N5 O S2 -","- C13 H11 N5 O S2 -","- C52 H44 N20 O4 S8 -","4","1","RZ6172","Li-Rong Wen; Ming Li; Jian-Xia Zhou; Peng Liu","1-Benzoyl-3-(4-cyano-5-methylsulfanyl-1<i>H</i>-pyrazol-3-yl)thiourea","Acta Crystallographica Section E","2006","62","3","o940","o941","10.1107/S1600536806003990","","","0.71073","MoKα","","0.0527","0.037","","","0.0859","0.0955","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208414","9.6201","0.0008","10.4931","0.0012","11.1713","0.0011","90.172","0.006","110.536","0.006","97.963","0.006","1044.22","0.19","291","1","291","1","","","","","","","","3","P -1","-P 1","2","","2-[2,2,6,6-Tetramethyl-5-(2-pyridyl)hepta-3,4-dien-3-yl]pyridine","","- C23 H30 N2 -","- C23 H30 N2 -","- C46 H60 N4 -","2","1","RZ6173","Averbeck, Jan; Schürmann, Markus; Preut, Hans; Krause, Norbert","6-Methyl-2-[2,2,6,6-tetramethyl-5-(2-pyridyl)hepta-3,4-dien-3-yl]pyridine","Acta Crystallographica Section E","2006","62","3","o951","o952","10.1107/S1600536806003199","","","0.71073","MoKα","","0.1077","0.0433","","","0.1025","0.1097","","","","","","1.122","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208415","7.9451","0.0016","9.0421","0.0018","10.538","0.002","72.22","0.03","84.09","0.03","84.01","0.03","714.9","0.3","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","poly[[aqua(μ~4~-1,4-cyclohexanedicarboxylato)praseodymium(III)] hemihydrate]","","- C12 H18 O7.5 Pr -","- C12 H15 O7.5 Pr -","- C24 H30 O15 Pr2 -","2","1","RZ6174","Guang-Bo Che; Chun-Bo Liu; Hong Liu; Bo Liu","Poly[[aqua(μ~4~-1,4-cyclohexanedicarboxylato)praseodymium(III)] hemihydrate]","Acta Crystallographica Section E","2006","62","3","m480","m482","10.1107/S1600536806004491","","","0.71073","MoKα","","0.048","0.0356","","","0.0811","0.0851","","","","","","1.114","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208416","7.5489","0.0007","19.616","0.002","9.5165","0.0009","90","","96.537","0.002","90","","1400","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C56 H60 N12 O20 -","4","1","RZ6175","Jian-Jun Li; Lai Jiang; Xue-Ping Wu; Wei-Ke Su","Methyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2006","62","3","o1089","o1091","10.1107/S1600536806005344","","","0.71073","MoKα","","0.1008","0.0874","","","0.1611","0.1675","","","","","","1.282","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208417","11.3655","0.0005","6.2177","0.0003","15.9239","0.0008","90","","94.552","0.002","90","","1121.75","0.09","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (E)-2-cyano-3-(1H-indol-3-yl)acrylate","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","RZ6176","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","Methyl (<i>E</i>)-2-cyano-3-(1<i>H</i>-indol-3-yl)acrylate","Acta Crystallographica Section E","2006","62","3","o1077","o1078","10.1107/S1600536806004892","","","0.71073","MoKα","","0.0825","0.0472","","","0.1166","0.1339","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208418","11.2191","0.0009","4.5955","0.0004","25.631","0.002","90","","100.438","0.002","90","","1299.6","0.18","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-Benzoyl-3-(3-chlorophenyl)thiourea","","- C14 H11 Cl N2 O S -","- C14 H11 Cl N2 O S -","- C56 H44 Cl4 N8 O4 S4 -","4","1","RZ6177","Rauf, M. Khawar; Badshah, Amin; Flörke, Ulrich; Saeed, Aamer","1-Benzoyl-3-(3-chlorophenyl)thiourea","Acta Crystallographica Section E","2006","62","3","o1060","o1061","10.1107/S1600536806005058","","","0.71073","MoKα","","0.0511","0.0395","","","0.0866","0.0913","","","","","","0.964","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208419","5.9564","0.0005","26.2779","0.0019","12.446","0.0009","90","","95.553","0.006","90","","1938.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4'-(4-Methoxyphenyl)-3'-phenylspiro[1H-isothiachroman-3,5'-isoxazolidin]- 4(2H)-one","","- C24 H19 N O3 S -","- C24 H19 N O3 S -","- C96 H76 N4 O12 S4 -","4","1","SG2003","Brahim, Bennani; Abdelali, Kerbal; Najib, Ben Larbi; El Bali, Brahim; Bolte, Michael","4'-(4-Methoxyphenyl)-3'-phenylspiro[1<i>H</i>-isothiachroman-3,5'-isoxazolidin]-4(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","3","o1101","o1102","10.1107/S1600536806005629","","","0.71073","MoKα","","0.0398","0.0297","","","0.0728","0.0748","","","","","","1.011","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208420","16.949","0.003","10.3396","0.0015","18.424","0.003","90","","105.07","0.01","90","","3117.7","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","fac-Dichlorotris(trimethylphosphine)(trimethylphosphoniomethyl)rhodium(I) chloride/bromide benzene dichloromethane solvate","","- C20 H46 Br0.125 Cl4.875 P4 Rh -","- C20 H46 Br0.12 Cl4.88 P4 Rh -","- C80 H184 Br0.48 Cl19.52 P16 Rh4 -","4","1","SG2004","Batsanov, Andrei S.; Marder, Todd B.; Seeler, Fabian","<i>fac</i>-Dichlorotris(trimethylphosphine)(trimethylphosphoniomethyl)rhodium(III) chloride/bromide dichloromethane benzene solvate","Acta Crystallographica Section E","2006","62","3","m574","m575","10.1107/S1600536806005630","","","0.71073","MoKα","","0.0464","0.0301","","","0.0682","0.0737","","","","","","1.038","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208421","4.3289","0.0008","4.3289","0.0008","9.176","0.003","90","","90","","90","","171.95","0.07","120","2","120","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Uranium copper diantimonide","","- Cu0.44 Sb2 U -","- Cu0.441 Sb2 U -","- Cu0.882 Sb4 U2 -","2","0.125","SG2005","Bobev, Svilen; Mixson, Daniel J.; Bauer, Eric D.; Sarrao, John L.","Uranium copper diantimonide, UCu~0.44(1)~Sb~2~ with a large Cu deficiency","Acta Crystallographica Section E","2006","62","3","i66","i68","10.1107/S1600536806005642","","","0.71073","MoKα","","0.023","0.023","","","0.051","0.051","","","","","","1.417","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208422","9.6944","0.0009","12.1761","0.0011","13.7141","0.0012","90","","90","","90","","1618.8","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N'-Bis(3,5-dimethyl-1H-pyrazol-1-ylmethyl)piperazine","","- C16 H26 N6 -","- C16 H26 N6 -","- C64 H104 N24 -","4","0.5","SG2006","Abdeljalil, El Fatmi; Najib, Ben Larbi; Abdelali, Kerbal; El Bali, Brahim; Bolte, Michael","<i>N</i>,<i>N</i>'-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-ylmethyl)piperazine","Acta Crystallographica Section E","2006","62","3","o1103","o1104","10.1107/S1600536806005654","","","0.71073","MoKα","","0.0411","0.0345","","","0.0971","0.0997","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208423","6.266","0.002","22.987","0.008","8.503","0.003","90","","101.329","0.005","90","","1200.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2'-Acetyl-2-hydroxynaphthohydrazide","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","SG6059","Ming-Li Liu; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang","2'-Acetyl-2-hydroxynaphthohydrazide","Acta Crystallographica Section E","2006","62","3","o1009","o1010","10.1107/S1600536806002285","","","0.71073","MoKα","","0.137","0.0541","","","0.1356","0.1727","","","","","","0.982","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208424","8.809","0.001","9.236","0.002","16.944","0.003","90","","91.88","0.01","90","","1377.8","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","Cimicidol-3-one","(20R,24R)-11β,24,25-trihydroxy-9,19-cyclolanost-7-ene-3,16,23-trione","","- C30 H44 O6 -","- C30 H44 O6 -","- C60 H88 O12 -","2","1","SG6060","Chun Dan; Kai-bei Yu; Shu-lin Peng; Yan Zhou; Li-sheng Ding","Cimicidol-3-one: a cycloartenol triterpenoid from the rhizomes of <i>Cimicifuga racemosa</i>","Acta Crystallographica Section E","2006","62","3","o1114","o1115","10.1107/S160053680600599X","","","0.71073","MoKα","","0.0629","0.0496","","","0.1312","0.1374","","","","","","0.983","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208425","15.905","0.003","8.9969","0.0018","12.512","0.003","90","","113.12","0.03","90","","1646.6","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine-5,5'-dicarboxylic acid)tetrachloroplatinum(IV) monohydrate","","- C12 H10 Cl4 N2 O5 Pt -","- C12 H10 Cl4 N2 O5 Pt -","- C48 H40 Cl16 N8 O20 Pt4 -","4","1","SG6061","Hafizovic, Jasmina; Oslbye, Unni; Lillerud, Karl Petter","(2,2'-Bipyridine-5,5'-dicarboxylic acid)tetrachloroplatinum(IV) monohydrate","Acta Crystallographica Section E","2006","62","3","m414","m416","10.1107/S1600536806003412","","","0.71073","MoKα","","0.0357","0.0279","","","0.067","0.0697","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208426","7.0852","0.0004","8.3609","0.0002","30.031","0.002","83.958","0.007","89.631","0.009","71.03","0.007","1672.3","0.17","293.5","","","","","","","","","","","7","P -1","-P 1","2","","3,4,4-Trichloro-1-[4-(2-fluorophenyl)piperazinyl]-1-(n-hexadecylsulfanyl)- 2-nitrobuta-1,3-diene","","- C30 H45 Cl3 F N3 O2 S -","- C30 H45 Cl3 F N3 O2 S -","- C60 H90 Cl6 F2 N6 O4 S2 -","2","1","SG6063","Ibis, Cemil; Sayil, M. Cigdem; Ozkok, F.","3,4,4-Trichloro-1-[4-(2-fluorophenyl)piperazinyl]-1-(<i>n</i>-hexadecylsulfanyl)-2-nitrobuta-1,3-diene","Acta Crystallographica Section E","2006","62","3","o1147","o1148","10.1107/S1600536806005769","","","0.7107","MoKα","","","0.057","","","","0.069","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208427","7.651","0.003","8.27","0.003","8.551","0.003","88.297","0.005","70.119","0.005","71.488","0.005","480.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(1-Methyl-1H-pyrrole-2-carboxamido)propanoic acid","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C18 H24 N4 O6 -","2","1","SJ2003","Po-Run Liu; Xiang-Chao Zeng; Shi-Hai Xu","3-(1-Methyl-1<i>H</i>-pyrrole-2-carboxamido)propanoic acid","Acta Crystallographica Section E","2006","62","3","o1181","o1183","10.1107/S1600536806006040","","","0.71073","MoKα","","0.0669","0.042","","","0.1081","0.1228","","","","","","1.033","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208428","11.232","0.0008","5.8762","0.0002","16.7657","0.0009","90","","94.872","0.004","90","","1102.56","0.11","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","(E,E)-2,5-bis(1-naphthyliminomethyl)thiophene","(E)-N-{(5-[(E)-1-naphthyliminomethyl]-2-thienylmethylene}naphthalen-1-amine dichloromethane hemisolvate","","- C26.5 H19 Cl N2 S -","- C26.5 H19 Cl N2 S -","- C53 H38 Cl2 N4 S2 -","2","1","SJ6193","Skene, W. G.; Dufresne, Stephane","A naphthalene‒thiophene‒naphthalene diazomethine triad solvated with dichloromethane","Acta Crystallographica Section E","2006","62","3","o1116","o1117","10.1107/S1600536806005411","","","1.54178","CuKα","","0.1126","0.0653","","","0.1463","0.1655","","","","","","0.867","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2208429","7.8724","0.0016","13.534","0.003","20.986","0.004","106.64","0.03","90.54","0.03","106.54","0.03","2043.6","0.9","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","propane-1,3-diaminium‒pyridine-2,6-dicarboxylate‒pyridine-2,6-dicarboxylic acid—water (2/2/2/5)","","- C17 H25 N4 O10.5 -","- C17 H25 N4 O10.5 -","- C68 H100 N16 O42 -","4","2","SU6259","Aghabozorg, Hossein; Ghadermazi, Mohammad; Ramezanipour, Farshid","A proton transfer compound: propane-1,3-diaminium‒pyridine-2,6-dicarboxylate‒pyridine-2,6-dicarboxylic acid‒water (2/2/2/5)","Acta Crystallographica Section E","2006","62","3","o1143","o1146","10.1107/S1600536806005393","","","0.71073","MoKα","","0.1898","0.0682","","","0.1214","0.1383","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208430","9.6712","0.0018","9.9236","0.0018","14.849","0.004","93.17","0.03","91.38","0.02","118.649","0.007","1246.6","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","Cis-anti-cis dicyclohexyl-18-crown-6 bis(thiacetazone) bis methanol clathrate","2,5,8,15,18,21-tricyclo[20.4.0.0^9,14^]hexacosane‒bis(4- acetylaminobenzaldehyde thiosemicarbazone)‒methanol (1/1/2)","","- C42 H68 N8 O10 S2 -","- C42 H68 N8 O10 S2 -","- C42 H68 N8 O10 S2 -","1","0.5","SU6265","Fonari, Marina S.; Ganin, Eduard V.; Simonov, Yurii A.; Wen-Jwu Wang","<i>cis</i>-<i>anti</i>-<i>cis</i>-Dicyclohexyl-18-crown-6‒thiacetazone‒methanol (1/2/2)","Acta Crystallographica Section E","2006","62","3","o911","o913","10.1107/S1600536806003709","","","0.71073","MoKα","","0.0566","0.0429","","","0.1158","0.123","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208431","7.5142","0.0011","9.4241","0.0016","17.692","0.006","90","","99.16","0.02","90","","1236.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-fluorocytosine monohydrate","","- C4 H6 F N3 O2 -","- C4 H6 F N3 O2 -","- C32 H48 F8 N24 O16 -","8","2","TK2002","Gustavo Portalone; Marcello Colapietro","Redetermination of 5-fluorocytosine monohydrate","Acta Crystallographica Section E","2006","62","3","o1049","o1051","10.1107/S160053680600496X","","","0.710689","MoKα","","0.061","0.055","","","0.159","0.165","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208432","10.7714","0.0012","8.44","0.002","11.42","0.003","90","","112.172","0.012","90","","961.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-diphenylguanidinium phthalate","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C42 H38 N6 O8 -","2","1","TK2003","Pereira Silva, P. S.; Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.","<i>N</i>,<i>N</i>'-Diphenylguanidinium phthalate","Acta Crystallographica Section E","2006","62","3","o1067","o1069","10.1107/S1600536806005083","","","0.71073","MoKα","","0.086","0.038","","","0.096","0.114","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208433","4.264","0.0009","10.144","0.002","21.308","0.004","90","","91.47","0.03","90","","921.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-chloro-3-chloromethylene-7-methyl-1,2,4-triazolo[4,3-b]pyridazine","","- C7 H6 Cl2 N4 -","- C7 H6 Cl2 N4 -","- C28 H24 Cl8 N16 -","4","1","TK2004","Anna Katrusiak; Andrzej Katrusiak","6-Chloro-3-chloromethylene-7-methyl-1,2,4-triazolo[4,3-<i>b</i>]pyridazine","Acta Crystallographica Section E","2006","62","3","o1167","o1169","10.1107/S1600536806006027","","","0.71073","MoKα","","0.135","0.064","","","0.095","0.114","","","","","","1.1","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208434","7.3062","0.0008","7.9701","0.0008","12.7134","0.0013","78.987","0.002","74.273","0.002","70.079","0.002","665.97","0.12","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","3-Methyl-1-(3-methylpyridinium-4-yl)pyridinium dichloride monohydrate","","- C12 H16 Cl2 N2 O -","- C12 H16 Cl2 N2 O -","- C24 H32 Cl4 N4 O2 -","2","1","TK6301","Sciortino, Natasha F.; Kepert, Cameron J.","3-Methyl-1-(3-methylpyridinium-4-yl)pyridinium dichloride monohydrate","Acta Crystallographica Section E","2006","62","3","o997","o998","10.1107/S1600536806004533","","","0.71073","MoKα","","0.052","0.043","","","0.103","0.108","","","","","","1.2","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208435","8.643","0.003","14.638","0.002","17.715","0.003","90","","100.579","0.005","90","","2203.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[4-(4-methoxyphenyl)-3-methyl-5-(2-pyridyl)-4H-1,2,4-triazole-κN^1^]- bis(salicylato-κO)copper(II) methanol disolvate","","- C46 H46 Cu N8 O10 -","- C46 H46 Cu N8 O10 -","- C92 H92 Cu2 N16 O20 -","2","0.5","TK6302","An-Yu Zhou; Zuo-Xiang Wang; Yan Lan; Lu-Tong Yuan; Chun-Yi Liu","Bis[4-(4-methoxyphenyl)-3-methyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]bis(salicylato-κ<i>O</i>)copper(II) methanol disolvate","Acta Crystallographica Section E","2006","62","3","m591","m592","10.1107/S1600536806001784","","","0.71073","MoKα","","0.085","0.058","","","0.123","0.129","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208436","8.2844","0.0009","8.4743","0.001","25.388","0.003","90","","90","","90","","1782.4","0.4","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2-Dimethyl-1,4-dihydro-2H-3,1-benzoxazine","","- C10 H13 N O -","- C10 H13 N O -","- C80 H104 N8 O8 -","8","2","TK6304","Odabaşoğlu, Mustafa; Özdamar, Özgür; Büyükgüngör, Orhan","2,2-Dimethyl-1,4-dihydro-2<i>H</i>-3,1-benzoxazine","Acta Crystallographica Section E","2006","62","3","o908","o910","10.1107/S1600536806003825","","","0.71073","MoKα","","0.057","0.03","","","0.057","0.061","","","","","","0.81","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208437","8.065","0.004","13.238","0.005","15.029","0.007","90","","98.07","0.04","90","","1588.7","1.2","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexakis(1-methyl-1H-imidazole-κN^3^)nickel(II) dichloride dihydrate","","- C24 H40 Cl2 N12 Ni O2 -","- C24 H40 Cl2 N12 Ni O2 -","- C48 H80 Cl4 N24 Ni2 O4 -","2","0.5","TK6306","Wen-Hai Wang; Xiao-Yu Su; Zhi-Hua Mao; Jing-Song You; Ru-Gang Xie","Hexakis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) dichloride dihydrate","Acta Crystallographica Section E","2006","62","3","m445","m447","10.1107/S1600536806003746","","","0.71073","MoKα","","0.081","0.043","","","0.103","0.115","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208438","9.741","0.002","10.882","0.002","10.492","0.001","90","","90.04","0.01","90","","1112.2","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-1-[(S)-1-(tert-Butoxycarbonylamino)ethyl]oxirane","tert-Butyl (S)-N-[(S)-(1-oxiranylethyl)]carbamate","","- C9 H17 N O3 -","- C9 H17 N O3 -","- C36 H68 N4 O12 -","4","2","TK6309","Rubén A. Toscano; Benjamín Ortiz; Rubén Sánchez-Obregón; Fernando Walls; Francisco Yuste","<i>tert</i>-Butyl (<i>S</i>)-<i>N</i>-[(<i>S</i>)-1-(oxiranyl)ethyl]carbamate","Acta Crystallographica Section E","2006","62","3","o925","o927","10.1107/S1600536806003254","","","0.71073","MoKα","","0.116","0.055","","","0.103","0.128","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208439","16.361","0.002","9.735","0.001","10.165","0.001","90","","95.656","0.001","90","","1611.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Azido{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}nickel(II)","","- C13 H17 Cl2 N5 Ni O -","- C13 H17 Cl2 N5 Ni O -","- C52 H68 Cl8 N20 Ni4 O4 -","4","1","TK6310","Feng-Wu Wang; Yi-Jun Wei","Azido{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}nickel(II)","Acta Crystallographica Section E","2006","62","3","m599","m600","10.1107/S1600536806006155","","","0.71073","MoKα","","0.051","0.035","","","0.079","0.086","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208440","9.8357","0.0003","5.9443","0.0002","17.2146","0.0006","90","","97.6513","0.0012","90","","997.51","0.06","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,7,7a-triepi-Casuarine pentaacetate","","- C18 H25 N O10 -","- C18 H25 N O10 -","- C36 H50 N2 O20 -","2","1","TK6311","Punzo, Francesco; Watkin, David J.; Van Ameijde, Jeroen; Horne, Graeme; Fleet, George W. J.; Wormald, Mark R.; Nash, Robert J.","3,7,7a-Tri-<i>epi</i>-casuarine pentaacetate","Acta Crystallographica Section E","2006","62","3","o928","o930","10.1107/S1600536806003539","","","0.71073","MoKα","","0.053","0.039","","0.091","0.085","0.091","","","","","","0.942","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208441","11.341","0.0011","7.618","0.0008","12.3021","0.0013","90","","91.72","0.006","90","","1062.37","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","triaqua(phenylselenonato)lithium(I)","","- C6 H11 Li O6 Se -","- C6 H11 Li O6 Se -","- C24 H44 Li4 O24 Se4 -","4","1","WK2001","Aline Machado; Robert A. Burrow","Layered triaqua(phenylselenonato)lithium(I)","Acta Crystallographica Section E","2006","62","3","m411","m413","10.1107/S1600536806003291","","","0.71073","MoKα","","0.0901","0.042","","","0.0756","0.0883","","","","","","0.986","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208442","6.6235","0.0014","11.329","0.002","14.347","0.0017","90","","94.753","0.015","90","","1072.9","0.3","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-bromo-bis[bis(1,2-diaminoethane-κ^2^N,N)nickel(II)] dibromide","","- C8 H32 Br4 N8 Ni2 -","- C8 H32 Br4 N8 Ni2 -","- C16 H64 Br8 N16 Ni4 -","2","0.5","WK2002","Ming Xie; Richard E. Norman","Di-μ-bromo-bis[bis(1,2-diaminoethane-κ^2^<i>N</i>,<i>N</i>)nickel(II)] dibromide","Acta Crystallographica Section E","2006","62","3","m408","m410","10.1107/S1600536806003424","","","0.71073","MoKα","","0.0909","0.0346","","0.0651","","0.0486","","","1.0436","","","1.0298","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2208443","5.538","0.003","30.783","0.017","7.93","0.005","90","","107.617","0.011","90","","1288.5","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethyl] benzene-2,4-dicarboxylate","","- C28 H24 N6 O4 -","- C28 H24 N6 O4 -","- C56 H48 N12 O8 -","2","0.5","WK6075","Xiao-Ru Zhang; Shu-Sheng Zhang; Min-Hua Xu; Xue-Mei Li","Bis[2-(4-phenyl-1<i>H</i>-1,2,3-triazol-1-yl)ethyl] benzene-2,4-dicarboxylate","Acta Crystallographica Section E","2006","62","3","o878","o879","10.1107/S1600536806003278","","","0.71073","MoKα","","0.1622","0.0711","","","0.1082","0.1372","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208444","7.019","0.003","7.019","0.003","4.291","0.003","90","","90","","90","","211.4","0.2","295","2","295","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","Didysprosium Aluminium Digermanide","Aluminium digermanium didysprosium","","- Al Dy2 Ge2 -","- Al Dy2 Ge2 -","- Al2 Dy4 Ge4 -","2","0.125","WM2001","Demchenko, Grigorii; Kończyk, Joanna; Demchenko, Pavlo; Kuprysyuk, Volodymyr; Gladyshevskii, Roman","Dy~2~AlGe~2~","Acta Crystallographica Section E","2006","62","3","i55","i57","10.1107/S1600536806005320","","","0.71073","MoKα","","0.0436","0.0418","","","0.081","0.0816","","","","","","1.313","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208445","4.3459","0.0007","4.3459","0.0007","9.33","0.003","90","","90","","90","","176.21","0.07","120","2","120","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","uranium palladium diantimonide","","- Pd0.6 Sb2 U -","- Pd0.603 Sb2 U -","- Pd1.206 Sb4 U2 -","2","0.125","WM2002","Bobev, Svilen; Mixson, Daniel J.; Bauer, Eric D.; Sarrao, John L.","Partial Pd occupancy in uranium palladium diantimonide, UPd~0.603(6)~Sb~2~","Acta Crystallographica Section E","2006","62","3","i64","i65","10.1107/S1600536806005666","","","0.71073","MoKα","","0.0203","0.0202","","","0.0466","0.0467","","","","","","1.158","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2208446","11.948","0.001","11.948","0.001","11.948","0.001","90","","90","","90","","1705.6","0.2","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Lithium potassium dichromium(III) arsenate(V)","Lithium potassium dichromium(III) arsenate(V)","","- As3 Cr2 K0.56 Li2.44 O12 -","- As3 Cr2 K0.564 Li2.436 O12 -","- As24 Cr16 K4.512 Li19.488 O96 -","8","0.0833333","WM6132","Kouass, Salah; Bouzemi, Besma; Boughzala, Habib","Garnet-type Li~2.44~K~0.56~Cr~2~(AsO~4~)~3~","Acta Crystallographica Section E","2006","62","3","i50","i51","10.1107/S1600536806004788","","","0.71069","MoKα","","0.0318","0.0283","","","0.0522","0.0533","","","","","","1.152","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208447","7.1572","0.0013","14.862","0.003","10.515","0.004","90","","103.51","0.02","90","","1087.5","0.5","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetracaesium octaselenidotetraarsenat(III)","","- As4 Cs4 Se8 -","- As4 Cs4 Se8 -","- As8 Cs8 Se16 -","2","0.5","WM6134","Tobias van Almsick; William S. Sheldrick","Tetracaesium octaselenidotetraarsenate(III)","Acta Crystallographica Section E","2006","62","3","i41","i43","10.1107/S1600536806003898","","","0.71073","MoKα","","0.0482","0.0367","","","0.0946","0.0993","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208448","5.7605","0.0005","9.2995","0.0007","5.9485","0.0005","90","","118.168","0.002","90","","280.92","0.04","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Trisodium dihydroxotetraoxoosmate(VII)","","- H2 Na3 O6 Os -","- H2 Na3 O6 Os -","- H4 Na6 O12 Os2 -","2","0.5","WM6135","Mogare, Kailash M.; Klein, Wilhelm; Jansen, Martin","Trisodium dihydroxotetraoxoosmate(VII), Na~3~[OsO~4~(OH)~2~]","Acta Crystallographica Section E","2006","62","3","i52","i54","10.1107/S1600536806005034","","","0.71073","MoKα","","0.0258","0.0235","","","0.0519","0.0528","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208449","15.8296","0.001","15.8296","0.001","10.7833","0.0006","90","","90","","120","","2340","0.2","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","Heptapraseodymium iron dodecaiodide","","- Fe I12 Pr7 -","- Fe I12 Pr7 -","- Fe3 I36 Pr21 -","3","0.166667","WM6136","Palasyuk, Andriy; Pantenburg, Ingo; Meyer, Gerd","Praseodymium dodecaiodo-ferro-<i>octahedro</i>-hexapraseodymium, Pr~7~I~12~Fe","Acta Crystallographica Section E","2006","62","3","i61","i63","10.1107/S1600536806005113","","","0.71073","MoKα","","0.0532","0.0463","","","0.0956","0.0994","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208450","9.0766","0.0003","12.2646","0.0004","6.1689","0.0002","90","","104.548","0.0016","90","","664.71","0.04","298","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Dipotassium hexaaquairon(II) bis(sulfate)","","- Fe H12 K2 O14 S2 -","- Fe H12 K2 O14 S2 -","- Fe2 H24 K4 O28 S4 -","2","0.5","WM6137","Ballirano, Paolo; Belardi, Girolamo","Rietveld refinement of the Tutton salt K~2~[Fe(H~2~O)~6~](SO~4~)~2~","Acta Crystallographica Section E","2006","62","3","i58","i60","10.1107/S1600536806005514","","","1.54178","CuKα","","","","","","","","","","1.04","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208451","11.171","0.004","6.619","0.003","12.371","0.005","90","","110.818","0.007","90","","855","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","Glycyl-proline hemihydrate","","- C7 H13 N2 O3.5 -","- C7 H13 N2 O3.5 -","- C28 H52 N8 O14 -","4","2","WN2003","Stephen A. Moggach; Simon Parsons; Lindsay Sawyer","Glycyl-<small>L</small>-proline hemihydrate at 298K","Acta Crystallographica Section E","2006","62","3","o1046","o1048","10.1107/S1600536806004922","","","0.71073","MoKα","","0.0763","0.0578","","0.1434","0.135","0.1434","","","","","","0.9753","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208452","18.5","0.002","11.8612","0.0012","12.823","0.0014","90","","119.052","0.002","90","","2459.7","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,10-phenanthroline-κ^2^N,N')(sulfato-κ^2^O,O')cobalt(II) 1,2-ethenediol solvate","","- C26 H22 Co N4 O6 S -","- C26 H20.6 Co N4 O6 S -","- C104 H82.4 Co4 N16 O24 S4 -","4","0.5","WN6409","Kai-Long Zhong; Yi-Min Zhu; Wen-Jie Lu","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) 1,2-ethanediol solvate","Acta Crystallographica Section E","2006","62","3","m631","m633","10.1107/S1600536806002315","","","0.71073","Mo-Kα","","0.0423","0.0359","","","0.1018","0.1068","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208453","9.157","0.003","11.04","0.007","10.13","0.005","90","","106.1","0.03","90","","983.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-4-Anilinopent-3-en-2-one","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","WN6410","Shaheen, Farkhanda; Marchio, L; Badshah, Amin; Khosa, Muhammad Kaleem","(<i>Z</i>)-4-Anilinopent-3-en-2-one","Acta Crystallographica Section E","2006","62","3","o873","o874","10.1107/S1600536806003205","","","0.71073","MoKα","","0.0879","0.0481","","","0.1183","0.1389","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208454","7.528","0.002","7.239","0.001","19.843","0.004","90","","91.74","0.03","90","","1080.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-N-(4-oxo-2-thioxoimidazolidin-3-yl)-1,2,3-thiadiazole-5-carboxamide","","- C7 H7 N5 O2 S2 -","- C7 H7 N5 O2 S2 -","- C28 H28 N20 O8 S8 -","4","1","WN6416","Wawrzycka-Gorczyca, Irena; Siwek, Agata; Dobosz, Maria","4-Methyl-<i>N</i>-(4-oxo-2-thioxoimidazolidin-3-yl)-1,2,3-thiadiazole-5-carboxamide","Acta Crystallographica Section E","2006","62","3","o864","o865","10.1107/S1600536806003369","","","1.54178","CuKα","","0.0733","0.0545","","","0.1373","0.1514","","","","","","1.058","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2208455","9.4042","0.0014","15.603","0.002","23.143","0.004","90","","90","","90","","3395.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Methoxybenzoyl)-2,2-dimethyl-5-phenylamino-2,3-dihydro-1,3,4-thiadiazole","","- C18 H19 N3 O2 S -","- C18 H19 N3 O2 S -","- C144 H152 N24 O16 S8 -","8","1","WN6417","Yusof, M. Sukeri M.; Tajuddin, Nazrizawati A.; Mardi, A. Sahali; Yamin, Bohari M.","4-(4-Methoxybenzoyl)-2,2-dimethyl-5-phenylamino-2,3-dihydro-1,3,4-thiadiazole","Acta Crystallographica Section E","2006","62","3","o1072","o1074","10.1107/S1600536806005204","","","0.71073","MoKα","","0.085","0.063","","","0.118","0.124","","","","","","1.25","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208456","20.011","0.004","9.643","0.002","18.089","0.004","90","","98.33","0.03","90","","3453.7","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-ylmethoxy]phenylacetate","","- C18 H15 Br N2 O4 -","- C18 H15 Br N2 O4 -","- C144 H120 Br8 N16 O32 -","8","1","WW6447","Liu, Zhi-Qian; Wang, Hai-Bo; Pu, Yue-Qing; Yan, Xiao-Chen","Methyl {2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-ylmethoxy]phenyl}acetate","Acta Crystallographica Section E","2006","62","3","o1131","o1132","10.1107/S1600536806005319","","","0.71073","MoKα","","0.121","0.0459","","","0.1107","0.1419","","","","","","1.017","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208457","8.345","0.002","9.944","0.004","11.779","0.003","84.58","0.007","71.698","0.005","70.013","0.004","872","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-(2,4-Dichlorophenoxy)-N-(4,6-dimethoxypyrimidin-2-yl)propionamide","","- C15 H15 Cl2 N3 O4 -","- C15 H15 Cl2 N3 O4 -","- C30 H30 Cl4 N6 O8 -","2","1","WW6469","Liu, Guo-Hua; Xue, Yun-Ning; Yang, Lian-Zhun; Yao, Mei; Xue, Si-Jia","2-(2,4-Dichlorophenoxy)-<i>N</i>-(4,6-dimethoxypyrimidin-2-yl)propionamide","Acta Crystallographica Section E","2006","62","3","o1028","o1029","10.1107/S1600536806004752","","","0.71073","MoKα","","0.0779","0.0569","","","0.1544","0.1734","","","","","","0.982","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208458","7.398","0.002","11.223","0.003","11.431","0.004","61.384","0.004","80.036","0.005","72.641","0.005","794.7","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(3,6-Dibromo-9H-carbazol-9-yl)(phenyl)methanone","","- C19 H11 Br2 N O -","- C19 H11 Br2 N O -","- C38 H22 Br4 N2 O2 -","2","1","XU2001","Duan, Xue-Min; Huang, Peng-Mian; Li, Jiang-Sheng; Zheng, Peng-Wu","(3,6-Dibromo-9<i>H</i>-carbazol-9-yl)(phenyl)methanone","Acta Crystallographica Section E","2006","62","3","o995","o996","10.1107/S1600536806004144","","","0.71073","MoKα","","0.057","0.042","","","0.107","0.116","","","","","","1.037","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208459","10.8464","0.0007","16.9377","0.0011","22.2437","0.0014","90","","90","","90","","4086.5","0.5","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","9,9-Bis(ethoxycarbonylethyl)-9H-fluorene","diethyl 3,3'-(9H-fluorene-9,9-diyl)dipropionate","","- C23 H26 O4 -","- C23 H26 O4 -","- C184 H208 O32 -","8","1","XU2002","Hu, Wei-Bing; Liu, Hong-Xia; Tian, Da-Ting; Liu, Cheng-Mei; Liu, Zu-Li","9,9-Bis(ethoxycarbonylethyl)-9<i>H</i>-fluorene","Acta Crystallographica Section E","2006","62","3","o1105","o1106","10.1107/S1600536806005733","","","0.71073","MoKα","","0.083","0.06","","","0.158","0.172","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208460","10.0829","0.0005","12.2184","0.0007","17.857","0.001","99.864","0.001","94.422","0.001","105.554","0.001","2070.4","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis{5-methyl-2-phenyl-4-[(3-tolylamino-κN)phenylmethylene]-1H-pyrazol-3(4H)- onato-κO}cobalt(II)","","- C48 H40 Co N6 O2 -","- C48 H40 Co N6 O2 -","- C96 H80 Co2 N12 O4 -","2","1","XU2004","Bao, Feng; Jiao, Yuan-Hong; Ng, Seik Weng","Bis{5-methyl-2-phenyl-4-[(3-tolylamino-κ<i>N</i>)phenylmethylene]-1<i>H</i>-pyrazol-3(4<i>H</i>)-onato-κ<i>O</i>}cobalt(II)","Acta Crystallographica Section E","2006","62","3","m558","m559","10.1107/S1600536806005186","","","0.71073","MoKα","","0.106","0.058","","","0.13","0.155","","","","","","0.88","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208461","8.3379","0.0005","29.3927","0.0019","10.2119","0.0007","90","","95.147","0.001","90","","2492.6","0.3","289","2","289","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(thiocyanato-κN)bis(2,2'-thiodipyridine-κ^2^N,N')nickel(II) monohydrate","","- C22 H18 N6 Ni O S4 -","- C22 H16 N6 Ni O S4 -","- C88 H64 N24 Ni4 O4 S16 -","4","1","XU6087","Zhao, Qi-Hua; Mu, Xiu-Mei; Zhang, Mei-Su; Fang, Rui-Bing","Bis(thiocyanato-κ<i>N</i>)bis(2,2'-thiodipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) monohydrate","Acta Crystallographica Section E","2006","62","3","m615","m616","10.1107/S1600536806006507","","","0.71073","MoKα","","0.056","0.039","","","0.099","0.105","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208462","9.332","0.0019","14.561","0.003","19.901","0.004","90","","90","","90","","2704.2","1","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","Bis(morpholinium) tetraiodo(morpholine-4-carbodithioato-κ^2^S,S')bismuth(III)","","- C13 H28 Bi I4 N3 O3 S2 -","- C13 H28 Bi I4 N3 O3 S2 -","- C52 H112 Bi4 I16 N12 O12 S8 -","4","0.5","XU6102","Feng Li; Handong Yin; Daqi Wang","Bis(morpholinium) tetraiodo(morpholine-4-carbodithioato-κ^2^<i>S</i>,<i>S</i>')bismuth(III)","Acta Crystallographica Section E","2006","62","3","m566","m567","10.1107/S1600536806005757","","","0.71073","MoKα","","0.079","0.049","","","0.106","0.128","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208463","28.355","0.0013","10.7721","0.0005","19.4761","0.0008","90","","101.07","0.003","90","","5838.1","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{Tris[2-(2-pyridylmethyleneimino)ethyl]amine}manganese(II) diperchlorate","","- C24 H27 Cl2 Mn N7 O8 -","- C24 H27 Cl2 Mn N7 O8 -","- C192 H216 Cl16 Mn8 N56 O64 -","8","1","XU6107","Shu-Ni Li; Yan-Wei Ren; Jun Li; Feng-Xing Zhang; Man-Cheng Hu","{Tris[2-(2-pyridylmethyleneimino)ethyl]amine}manganese(II) bis(perchlorate)","Acta Crystallographica Section E","2006","62","3","m498","m499","10.1107/S1600536806004454","","","0.71073","MoKα","","0.091","0.064","","","0.174","0.202","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208464","5.8833","0.0012","10.748","0.002","14.191","0.003","90","","97.82","0.03","90","","889","0.3","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","{1-[N-methyl-N-(1-phenylethyl)amino]ethyl}ferrocene","N-(1-Ferrocenylethyl)-N-(1-phenylethyl)methylamine","","- C21 H25 Fe N -","- C21 H25 Fe N -","- C42 H50 Fe2 N2 -","2","1","XU6108","Yin, Zhi-Gang; Qian, Heng-Yu; Jia, Jia; Zhang, Chun-Xia","<i>N</i>-(1-Ferrocenylethyl)-<i>N</i>-(1-phenylethyl)methylamine","Acta Crystallographica Section E","2006","62","3","m511","m512","10.1107/S1600536806004740","","","0.71073","MoKα","","0.062","0.056","","","0.128","0.13","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208465","10.4696","0.0009","12.6989","0.0011","7.2309","0.0006","90","","90","","90","","961.37","0.14","295","2","295","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Diammine[pyridine-2,6-dicarboxylato-κ^3^N,O,O']zinc(II)","","- C7 H9 N3 O4 Zn -","- C7 H9 N3 O4 Zn -","- C28 H36 N12 O16 Zn4 -","4","0.5","XU6111","Xiang, Jing; Lin, Xiang-Cheng","Diammine[pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^]zinc(II)","Acta Crystallographica Section E","2006","62","3","m593","m594","10.1107/S1600536806004557","","","0.71073","MoKα","","0.031","0.028","","","0.072","0.074","","","","","","1.158","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208466","19.948","0.004","14.733","0.003","10.001","0.002","90","","106.934","0.002","90","","2811.8","1","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis(N-ethylpyridinium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)zincate(II)","","- C20 H20 N2 S10 Zn -","- C20 H20 N2 S10 Zn -","- C80 H80 N8 S40 Zn4 -","4","0.5","XU6112","Wang, Yan-Ling; Yu, Wen-Tao; Chen, Hong-Yu; Xu, Dong; Guo, Wen-Feng","Bis(<i>N</i>-ethylpyridinium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)zincate(II)","Acta Crystallographica Section E","2006","62","3","m623","m624","10.1107/S1600536806006210","","","0.71073","MoKα","","0.044","0.038","","","0.101","0.106","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208467","9.3749","0.0004","11.6692","0.0005","20.0628","0.0009","90","","90","","90","","2194.82","0.17","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis(2,2'-bipyridine-κ^2^N,N')copper(I) trifluoromethanesulfonate","","- C21 H16 Cu F3 N4 O3 S -","- C21 H16 Cu F3 N4 O3 S -","- C84 H64 Cu4 F12 N16 O12 S4 -","4","1","XU6114","Pintauer Tomislav","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2006","62","3","m620","m622","10.1107/S1600536806006222","","","0.71073","MoKα","","0.064","0.036","","","0.104","0.126","","","","","","0.81","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208468","23.307","0.012","9.841","0.004","9.211","0.004","90","","90","","90","","2112.7","1.7","295","2","295","2","","","","","","","","3","C m c 21","C 2c -2","36","","2',7'-Bis(4-methoxyphenyl)-spiro[cyclopropane-1,9'-9H-fluorene]","","- C29 H24 O2 -","- C29 H24 O2 -","- C116 H96 O8 -","4","0.5","XU6115","Wang, Zi-Xing; Lin, Hai-Yao; Lu, Ping","2',7'-Bis(4-methoxyphenyl)spiro[cyclopropane-1,9'-9<i>H</i>-fluorene]","Acta Crystallographica Section E","2006","62","3","o1084","o1085","10.1107/S1600536806005150","","","0.71073","MoKα","","0.05","0.041","","","0.113","0.119","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208469","8.002","0.0007","9.7745","0.0008","25.255","0.002","90","","90","","90","","1975.3","0.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-Methoxyphenoxy)-1,9-diphenyl-1,9-dihydropurin-6-one","","- C24 H18 N4 O3 -","- C24 H18 N4 O3 -","- C96 H72 N16 O12 -","4","1","YA6274","Nian-Yu Huang; Ming-Wu Ding; Zai-Gang Luo; Na Zuo; Xiao-Hua Zeng; Hong-Wu He","2-(4-Methoxyphenoxy)-1,9-diphenyl-1,9-dihydropurin-6-one","Acta Crystallographica Section E","2006","62","3","o1022","o1024","10.1107/S1600536806002765","","","0.71073","MoKα","","0.062","0.044","","","0.089","0.096","","","","","","0.96","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208470","5.4624","0.0003","6.9863","0.0004","7.5977","0.0005","80.852","0.004","84.578","0.004","89.163","0.004","284.97","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","trans-Dichlorodipyridinepalladium(II)","","- C10 H10 Cl2 N2 Pd -","- C10 H10 Cl2 N2 Pd -","- C10 H10 Cl2 N2 Pd -","1","0.5","AC2006","Liao, Chun-Yi; Lee, Hon Man","<i>trans</i>-Dichlorodipyridinepalladium(II)","Acta Crystallographica Section E","2006","62","4","m680","m681","10.1107/S160053680600688X","","","0.71073","MoKα","","0.025","0.0242","","","0.0642","0.0646","","","","","","1.141","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208471","8.9484","0.0012","13.208","0.0017","9.8945","0.0013","90","","93.553","0.002","90","","1167.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Condelphine","14-Acetyl-20-ethyl-1,8-dihydroxy-16-18-dimethoxylycoctonine","","- C25 H39 N O6 -","- C25 H39 N O6 -","- C50 H78 N2 O12 -","2","1","AC2007","Manzoor Ahmad; Shamsher Ali; Farzana Shaheen; Shazia Anjum; M. Iqbal Choudhary","14-Acetyl-20-ethyl-1,8-dihydroxy-16,18-dimethoxylycoctonine","Acta Crystallographica Section E","2006","62","4","o1428","o1430","10.1107/S1600536806008944","","","0.71073","MoKα","","0.0348","0.0341","","","0.0847","0.0854","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208472","8.6314","0.0011","13.3019","0.0018","13.891","0.003","90","","90","","90","","1594.9","0.5","296","2","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","[Bis(3-methyl-2-thioxo-2,3-dihydro-1H-imidazolyl)borate- κ^2^S,S']dibromoindium(III)","","- C8 H12 B Br2 In N4 S2 -","- C8 H12 B Br2 In N4 S2 -","- C32 H48 B4 Br8 In4 N16 S8 -","4","0.5","AC2008","Sarah C. Hill; Daniel S. Jones; Daniel Rabinovich","[Bis(3-methyl-2-thioxo-2,3-dihydro-1<i>H</i>-imidazolyl)borato-κ^2^<i>S</i>,<i>S</i>']dibromoindium(III)","Acta Crystallographica Section E","2006","62","4","m702","m704","10.1107/S1600536806007732","","","1.5418","CuKα","","","0.0301","","","","0.0825","","","","","","1.026","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208473","11.713","0.001","14.951","0.001","21.877","0.002","90","","90","","90","","3831.1","0.5","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-{[(2-Hydroxy-1-naphthyl)methylidene]amino}-1,5-dimethyl-2-phenyl- 1H-pyrazol-3(2H)-one","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C176 H152 N24 O16 -","8","2","AC2010","You, Zhong-Lu; Wang, Jia; Chi, Jing-Yun","4-{[(2-Hydroxy-1-naphthyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","4","o1652","o1653","10.1107/S160053680601110X","","","0.71073","MoKα","","0.1148","0.069","","","0.1541","0.1797","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208474","7.104","0.0008","15.2244","0.0018","7.4511","0.0009","90","","112.797","0.002","90","","742.92","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ethyl 1-methyimidazole-2-carboxylate","ethyl 1-methyimidazole-2-carboxylate","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","AC2012","Frye, Brian C.; Mashuta, Mark S.; Mullins, Christopher S.; Grapperhaus, Craig A.; Buchanan, Robert M.","Ethyl 1-methylimidazole-2-carboxylate","Acta Crystallographica Section E","2006","62","4","o1548","o1549","10.1107/S1600536806010038","","","0.71073","MoKα","","0.0316","0.0301","","","0.0671","0.0681","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208475","9.3887","0.0003","10.6241","0.0004","26.7247","0.001","90","","92.232","0.002","90","","2663.67","0.17","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Oxo-2,3,5,6-tetraphenylpiperidine-1-carbonitrile ethyl acetate hemisolvate","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C128 H112 N8 O8 -","4","1","AC6232","J. Suresh; V. P. Alex Raja; S. Natarajan; S. Perumal; A. Mostad; R. V. Krishnakumar","4-Oxo-2,3,5,6-tetraphenylpiperidine-1-carbonitrile ethyl acetate hemisolvate","Acta Crystallographica Section E","2006","62","4","o1295","o1297","10.1107/S1600536806007781","","","0.71073","MoKα","","0.075","0.0665","","","0.1812","0.1882","","","","","","1.118","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208476","9.0277","0.0015","14.185","0.002","9.7695","0.0017","90","","114.266","0.003","90","","1140.5","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl 4-{5-[1-(hydroxymethyl)ethylaminocarbonyl]-1,3-benzodioxol-4-yl}-7-methoxy- 3-benzodioxole-5-carboxylate","","- C23 H25 N O10 -","- C23 H25 N O10 -","- C46 H50 N2 O20 -","2","1","AT2003","Xiu-Xiang Qi; Ji-Shuan Suo; Li-Min Wang; Xiao-He Guo; Sen-Xiang Cheng","Ethyl 4-{5-[1-(hydroxymethyl)ethylaminocarbonyl]-1,3-benzodioxol-4-yl}-7-methoxy-3-benzodioxole-5-carboxylate","Acta Crystallographica Section E","2006","62","4","o1269","o1270","10.1107/S1600536806006246","","","0.71073","MoKα","","0.0715","0.0559","","","0.1509","0.1656","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208477","10.328","0.003","13.861","0.003","15.628","0.004","90","","94.198","0.003","90","","2231.2","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(2-chloronicotinato)triphenyltin(IV)","","- C24 H20 Cl N O3 Sn -","- C24 H20 Cl N O3 Sn -","- C96 H80 Cl4 N4 O12 Sn4 -","4","1","AT2006","Hao-Long Xu; Han-Dong Yin; Gang Li","Aqua(2-chloronicotinato)triphenyltin(IV)","Acta Crystallographica Section E","2006","62","4","m685","m686","10.1107/S160053680600626X","","","0.71073","MoKα","","0.045","0.0309","","","0.0786","0.0908","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208478","14.9772","0.0019","11.5479","0.0016","23.822","0.003","90","","98.507","0.003","90","","4074.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,4:8,11:15,18:22,25-Tetraethanotetrabenzo[b,g,l,q]porphyrinato)nickel(II) chloroform disolvate","","- C46 H38 Cl6 N4 Ni -","- C46 H38 Cl6 N4 Ni -","- C184 H152 Cl24 N16 Ni4 -","4","1","AT2007","Xu, Hai-Yun; Qin, Xia; Li, Yi-Zhi; Ono, Noboru; Shen, Zhen","(1,4:8,11:15,18:22,25-Tetraethanotetrabenzo[<i>b</i>,<i>g</i>,<i>l</i>,<i>q</i>]porphyrinato)nickel(II) chloroform disolvate","Acta Crystallographica Section E","2006","62","4","m770","m772","10.1107/S1600536806007896","","","0.71073","MoKα","","0.0844","0.0569","","","0.1281","0.1364","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208479","13.155","0.003","6.494","0.0013","20.608","0.004","90","","105.63","0.03","90","","1695.4","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Adamantane-1-ammonium 2-nitrobenzoate","","- C17 H22 N2 O4 -","- C17 H22 N2 O4 -","- C68 H88 N8 O16 -","4","1","AT2008","Yin-Hua He; Yi-Hang Wen","Adamantane-1-ammonium 2-nitrobenzoate","Acta Crystallographica Section E","2006","62","4","o1312","o1313","10.1107/S1600536806007914","","","0.71073","MoKα","","","0.0451","","","0.1139","0.1247","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208480","21.649","0.004","11.271","0.002","11.05","0.002","90","","92.59","0.03","90","","2693.5","0.8","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[dddiaquabis[(4-tolylsulfanyl)acetato-κO]nickel(II)]- μ-4,4'-bipyridine-κ^2^N:N']","","- C28 H30 N2 Ni O6 S2 -","- C28 H30 N2 Ni O6 S2 -","- C112 H120 N8 Ni4 O24 S8 -","4","0.5","AT2009","Hong Lin; Hong Su; Yun-long Feng","<i>catena</i>-Poly[[diaquabis[(4-tolylsulfanyl)acetato-κ<i>O</i>]nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2006","62","4","m747","m749","10.1107/S1600536806007926","","","0.71073","MoKα","","","0.0383","","","0.0911","0.0981","","","","","","1.013","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208481","5.2174","0.0015","10.823","0.003","13.517","0.004","90","","90","","90","","763.3","0.4","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(2-aminoacetato-κ^2^N,O)aquanickel(II)","","- C4 H10 N2 Ni O5 -","- C4 H10 N2 Ni O5 -","- C16 H40 N8 Ni4 O20 -","4","1","AT2011","Ding, Yang-Jun; Sun, Yu-Xi; Zhang, Nian-Wei","Bis(2-aminoacetato-κ^2^<i>N</i>,<i>O</i>)aquanickel(II)","Acta Crystallographica Section E","2006","62","4","m728","m730","10.1107/S1600536806007963","","","0.71073","MoKα","","0.076","0.0506","","","0.0722","0.079","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208482","11.9812","0.0009","5.6631","0.0004","21.787","0.0017","90","","92.099","0.001","90","","1477.27","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3RS,4RS,4aSR,7SR,9aRS)-7-tert-Butyl-9a-methyl-5,5-dioxo-3,4-epoxy- 1,2,3,4,4a,9a-hexahydro-8-oxa-5λ^6^-thiabenzocycloheptan-9-one","","- C14 H22 O5 S -","- C14 H22 O5 S -","- C56 H88 O20 S4 -","4","1","AT2013","Zeller, Matthias; Hunter, Allen D.; Sampson, Paul; Chumachenko, Nataliya","(3<i>RS</i>,4<i>RS</i>,4a<i>SR</i>,7<i>SR</i>,9a<i>RS</i>)-7-<i>tert</i>-Butyl-9a-methyl-5,5-dioxo-3,4-epoxy-1,2,3,4,4a,9a-hexahydro-8-oxa-5λ^6^-thiabenzocycloheptan-9-one","Acta Crystallographica Section E","2006","62","4","o1411","o1413","10.1107/S1600536806008002","","","0.71073","MoKα","","0.0479","0.0452","","","0.1177","0.1196","","","","","","1.155","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208483","8.8062","0.0005","16.888","0.001","10.6858","0.0006","90","","93.102","0.001","90","","1586.85","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(E)-Butadienylsulfonyl]-3,3-dimethylbut-2-yl methacrylate","","- C14 H22 O4 S -","- C14 H22 O4 S -","- C56 H88 O16 S4 -","4","1","AT2014","Zeller, Matthias; Hunter, Allen D.; Sampson, Paul; Chumachenko, Nataliya","1-[(<i>E</i>)-Butadienylsulfonyl]-3,3-dimethylbut-2-yl methacrylate","Acta Crystallographica Section E","2006","62","4","o1369","o1370","10.1107/S1600536806008014","","","0.71073","MoKα","","0.0379","0.035","","","0.0945","0.0967","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208484","8.063","0.003","14.231","0.004","9.027","0.003","90","","116.382","0.005","90","","927.9","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","{2,6-Bis[(4R)-4-ethoxyoxazolin-2-yl]pyridine}dichloromanganese(II)","","- C15 H19 Cl2 Mn N3 O2 -","- C15 H19 Cl2 Mn N3 O2 -","- C30 H38 Cl4 Mn2 N6 O4 -","2","1","AT2015","Li, Jian-Ping; Zhao, Jian-She","{2,6-Bis[(4<i>R</i>)-4-ethoxyoxazolin-2-yl]pyridine}dichloromanganese(II)","Acta Crystallographica Section E","2006","62","4","m810","m812","10.1107/S1600536806009287","","","0.71073","MoKα","","0.039","0.0324","","","0.0827","0.0852","","","","","","0.998","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208485","12.223","0.002","12.74","0.003","15.113","0.003","90","","91.59","0.03","90","","2352.5","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Diphenyl-2-(trimethylsilyloxy)-3-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran- 5-one","","- C27 H26 O4 Si -","- C27 H26 O4 Si -","- C108 H104 O16 Si4 -","4","1","AT2016","Yun Liu; Yong-Miao Shen; Zhe Li; Jian-Hua Xu","2,4-Diphenyl-2-(trimethylsilyloxy)-3-dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one","Acta Crystallographica Section E","2006","62","4","o1397","o1398","10.1107/S1600536806009020","","","0.71073","MoKα","","0.0835","0.0473","","","0.1276","0.1394","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208486","7.3606","0.0015","7.4968","0.0015","17.375","0.004","90","","97.78","0.03","90","","949.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Acetyl-3-methyl-4H-1,4-benzothiazine","","- C11 H11 N O S -","- C11 H11 N O S -","- C44 H44 N4 O4 S4 -","4","1","AT2017","Kara, Hülya; Kara, Derya; Aşkun, Tülin; Yahşi, Yasemin; Büyükgüngör, Orhan","2-Acetyl-3-methyl-4<i>H</i>-1,4-benzothiazine: a redetermination at 100K","Acta Crystallographica Section E","2006","62","4","o1636","o1638","10.1107/S1600536806010622","","","0.71073","MoKα","","0.0566","0.0515","","","0.117","0.12","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208487","7.181","0.002","7.75","0.002","17.994","0.003","90","","90","","90","","1001.4","0.4","296","2","296","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","2-Amino-4-(4'-methoxyphenyl)-1,3-thiazole","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C40 H40 N8 O4 S4 -","4","1","AT2018","Hökelek, Tuncer; Seferoğlu, Zeynel; Ertan, Nermin","2-Amino-4-(4-methoxyphenyl)-1,3-thiazole","Acta Crystallographica Section E","2006","62","4","o1609","o1611","10.1107/S1600536806010610","","","1.54184","CuKα","","0.091","0.0684","","","0.1675","0.187","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208488","12.568","0.003","13.59","0.003","13.829","0.003","70.697","0.004","66.718","0.004","67.601","0.004","1960.4","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","Bis(2,3-dibromo-6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxa- benzocyclopentadecene)hydroxonium tribromide","","- C28 H39 Br7 O11 -","- C28 H39 Br7 O11 -","- C56 H78 Br14 O22 -","2","1","AT2019","Saleh, M. Idiris; Kusrini, Eny.; Ngah, Nurziana; Yamin, Bohari M.","Bis(2,3-dibromo-6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxabenzocyclopentadecene) hydroxonium tribromide","Acta Crystallographica Section E","2006","62","4","o1654","o1656","10.1107/S1600536806010932","","","0.71073","MoKα","","0.102","0.053","","","0.113","0.133","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208489","10.7585","0.0007","13.5889","0.0009","11.6754","0.0007","90","","96.971","0.001","90","","1694.28","0.19","376","2","376","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H16 Br2 O2 S -","- C17 H16 Br2 O2 S -","- C68 H64 Br8 O8 S4 -","4","1","AT2020","Ray J. Butcher; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Mithun, A.","2,3-Dibromo-1-(4-methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]propan-1-one","Acta Crystallographica Section E","2006","62","4","o1629","o1630","10.1107/S1600536806010944","","","0.71073","MoKα","","0.0574","0.0347","","","0.0771","0.0857","","","","","","1.006","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208490","9.71","0.002","10.668","0.002","12.002","0.003","78.409","0.003","88.988","0.003","78.532","0.003","1193.3","0.4","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","4-Dimethylaminobenzoic(4-chloro-2-phenyl-2H-chromen-3-ylmethylene)hydrazide","","- C27 H28 Cl N3 O3 -","- C27 H28 Cl N3 O3 -","- C54 H56 Cl2 N6 O6 -","2","1","AT2021","Nie, Aihua; Ghosh, Sutapa; Huang, Ziwei","<i>N</i>-(4-Chloro-2-phenyl-2<i>H</i>-chromen-3-ylmethylene)-<i>N</i>'-[4-(dimethylamino)benzoyl]hydrazide ethanol solvate","Acta Crystallographica Section E","2006","62","4","o1641","o1642","10.1107/S1600536806010956","","","0.71073","MoKα","","0.0805","0.0611","","","0.1482","0.1588","","","","","","1.063","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208491","11.252","0.002","11.886","0.002","26.932","0.004","90","","97.47","0.008","90","","3571.4","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-n-butylbis[(E)-3-(3-fluorophenyl)-2-(4-chlorophenyl)-2-propenoato-O,O]tin(IV)","","- C38 H36 Cl2 F2 O4 Sn -","- C38 H36 Cl2 F2 O4 Sn -","- C152 H144 Cl8 F8 O16 Sn4 -","4","1","AT2022","Sadiq-ur-Rehman; Ali, Saqib; Shahzadi, Saira; Parvez, Masood","Di-<i>n</i>-butylbis[(<i>E</i>)-2-(4-chlorophenyl)-3-(3-fluorophenyl)prop-2-enoato-κ^2^<i>O</i>,<i>O</i>]tin(IV)","Acta Crystallographica Section E","2006","62","4","m910","m911","10.1107/S1600536806010968","","","0.71073","MoKα","","0.081","0.039","","","0.073","0.085","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208492","9.7331","0.0014","14.943","0.002","16.111","0.002","90","","90","","90","","2343.2","0.5","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra- azacyclotetradecane)nickel(II) tetrachlorocuprate(II)","","- C16 H36 Cl4 Cu N4 Ni -","- C16 H36 Cl4 Cu N4 Ni -","- C64 H144 Cl16 Cu4 N16 Ni4 -","4","0.5","BD6021","Wei, Zai-Shan; Yu, Guang-Ming","(<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) tetrachlorocuprate(II)","Acta Crystallographica Section E","2006","62","4","m693","m695","10.1107/S1600536806006118","","","0.71073","MoKα","","0.0598","0.0394","","","0.0905","0.1024","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208493","10.046","0.003","9.39","0.003","16.06","0.005","90","","101.916","0.004","90","","1482.3","0.8","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2-Methyl-3-(phenethylamino)-1-phenylprop-2-en-1-one","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","BD6023","Huang, Shu-Ping; Li, Hai-Tang; Shi, He-Ping; Gai-Feng Tan","(<i>E</i>)-2-Methyl-3-(phenethylamino)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1541","o1542","10.1107/S1600536806009998","","","0.71073","MoKα","","0.091","0.0684","","","0.1725","0.1894","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208494","7.182","0.002","15.944","0.004","15.384","0.004","90","","94.692","0.01","90","","1755.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1-(4-bromobenzyl)-3-methylpyrazinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ^3^S,S')nickelate(II)","","- C32 H24 Br2 N8 Ni S4 -","- C32 H24 Br2 N8 Ni S4 -","- C64 H48 Br4 N16 Ni2 S8 -","2","0.5","BH2003","Ni, Chun-Lin; Liu, Ming-Guo","Bis[1-(4-bromobenzyl)-3-methylpyrazinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>')nickelate(II)","Acta Crystallographica Section E","2006","62","4","m767","m769","10.1107/S1600536806008373","","","0.71073","MoKα","","0.0658","0.0468","","","0.1122","0.1173","","","","","","0.923","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208495","7.2094","0.0011","12.4483","0.0018","15.628","0.002","90","","90","","90","","1402.5","0.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-Dimethylpyridinium hydrogen (2R,3R)-(+)-tartrate sesquihydrate","","- C11 H18 N O7.5 -","- C11 H18 N O7.5 -","- C44 H72 N4 O30 -","4","1","BH2004","Wang, Zi-Liang; Li, Ming-Xue; Wei, Lin-Heng; Wang, Jing-Ping","2,6-Dimethylpyridinium hydrogen (2<i>R</i>,3<i>R</i>)-(+)-tartrate sesquihydrate","Acta Crystallographica Section E","2006","62","4","o1433","o1434","10.1107/S1600536806008579","","","0.71073","MoKα","","0.0864","0.0472","","","0.0975","0.1073","","","","","","0.902","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208496","9.5029","0.0008","22.984","0.002","7.2776","0.0005","90","","112.226","0.005","90","","1471.4","0.2","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butylfluorodiphenylsilane","","- C16 H19 F Si -","- C16 H19 F Si -","- C64 H76 F4 Si4 -","4","1","BH2007","Bradtmöller, Gerrit; Jurkschat, Klaus; Schürmann, Markus","<i>tert</i>-Butylfluorodiphenylsilane","Acta Crystallographica Section E","2006","62","4","o1393","o1394","10.1107/S1600536806008993","","","0.71073","MoKα","","0.0801","0.0384","","","0.0876","0.0948","","","","","","0.801","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208497","6.077","0.001","14.224","0.002","7.676","0.001","90","","97.791","0.002","90","","657.38","0.17","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-Dibromo-6-(4-methylpyridin-2-yliminomethyl)phenol","","- C13 H10 Br2 N2 O -","- C13 H10 Br2 N2 O -","- C26 H20 Br4 N4 O2 -","2","1","BH2008","Yang, De-Suo","2,4-Dibromo-6-(4-methylpyridin-2-yliminomethyl)phenol","Acta Crystallographica Section E","2006","62","4","o1395","o1396","10.1107/S1600536806008580","","","0.71073","MoKα","","0.049","0.0348","","","0.0693","0.0749","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208498","8.9725","0.0003","10.2472","0.0003","10.4372","0.0003","101.733","0.002","109.29","0.001","115.765","0.001","744.67","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-Isopropyl-6,6,8a-trimethyl-1,3a,5,6,7,8a-hexahydro-3H- 1-benzofuro[2,3-b]pyrrole-2,4-dione","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C32 H46 N2 O6 -","2","1","BH6065","Narasegowda, R. N.; Yathirajan, H. S.; Lynch, D. E.; Narasimhamurthy, T.; Rathore, R. S.","1-Isopropyl-6,6,8a-trimethyl-1,3a,5,6,7,8a-hexahydro-3<i>H</i>-1-benzofuro[2,3-<i>b</i>]pyrrole-2,4-dione","Acta Crystallographica Section E","2006","62","4","o1328","o1329","10.1107/S1600536806006180","","","0.71073","MoKα","","0.0463","0.0392","","","0.0968","0.1012","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208499","10.733","0.002","9.842","0.001","24.65","0.002","90","","90","","90","","2603.9","0.6","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-(5-Ethyl-1,3,4-thiadiazol-2-ylaminomethylene)-2,2-dimethyl-1,3-dioxane- 4,6-dione","","- C11 H13 N3 O4 S -","- C11 H13 N3 O4 S -","- C88 H104 N24 O32 S8 -","8","1","BH6071","Silva, Luiz Everson da; Joussef, Antonio Carlos; Andrighetti-Fröhner, Carla Regina; Simões, Cláudia Maria Olivra; Bortoluzzi, Adailton José","5-(5-Ethyl-1,3,4-thiadiazol-2-ylaminomethylene)-2,2-dimethyl-1,3-dioxane- 4,6-dione","Acta Crystallographica Section E","2006","62","4","o1520","o1521","10.1107/S160053680600969X","","","0.71069","MoKα","","0.0921","0.043","","","0.1009","0.1156","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208500","19.282","0.006","7.187","0.002","14.191","0.004","90","","111.34","0.004","90","","1831.8","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diethyl 5-acetoxy-3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol -5-yl-5-phosphonate","","- C15 H18 Cl2 N O6 P -","- C15 H18 Cl2 N O6 P -","- C60 H72 Cl8 N4 O24 P4 -","4","1","BI2002","Zhi-Qiang Shang; Ru-Yu Chen; You Huang","Diethyl [5-acetoxy-3-(2,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl]phosphonate","Acta Crystallographica Section E","2006","62","4","o1621","o1622","10.1107/S1600536806010658","","","0.71073","MoKα","","0.0538","0.0433","","","0.1222","0.1316","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208501","12.921","0.0004","6.345","0.0009","12.503","0.0009","90","","90","","90","","1025.04","0.17","298","2","298","2","","","","","","","","3","P b c m","-P 2c 2b","57","","lanthanum palladium triantimony","","- La Pd Sb3 -","- La Pd Sb3 -","- La8 Pd8 Sb24 -","8","1","BR2001","Thomas, Evan Lyle; Gautreaux, Dixie P.; Chan, Julia Y.","The layered intermetallic compound LaPdSb~3~","Acta Crystallographica Section E","2006","62","4","i96","i98","10.1107/S1600536806009421","","","0.71073","MoKα","","0.09","0.0454","","","0.0893","0.1009","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208502","11.331","0.0006","11.331","0.0006","4.6314","0.0008","90","","90","","90","","594.63","0.11","291","2","291","2","","","","","","","","5","I -4","I -4","82","zinc cadmium selenocyanate","poly[tetra-μ~2~-selenocyanato-cadmium(II)zinc(II)]","","- C4 Cd N4 Se4 Zn -","- C4 Cd N4 Se4 Zn -","- C8 Cd2 N8 Se8 Zn2 -","2","0.25","BR2002","Hai-Qing Sun; Wen-Tao Yu; Duo-Rong Yuan; Xin-Qiang Wang; Li-Qiang Liu","Zinc cadmium selenocyanate","Acta Crystallographica Section E","2006","62","4","i88","i90","10.1107/S1600536806008610","","","0.71073","MoKα","","0.0375","0.0326","","","0.0719","0.0747","","","","","","1.085","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208503","10.003","0.004","16.001","0.006","11.75","0.005","90","","97.8","0.03","90","","1863.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Indole","3-Phenylsulfanyl-1-phenylsulfonyl-1H-indole-2-carbaldehyde","","- C21 H15 N O3 S2 -","- C21 H15 N O3 S2 -","- C84 H60 N4 O12 S8 -","4","1","BT2006","P. Sakthivel.; K. SethuSankar; P. Jaishankar; P. S. Joseph","3-Phenylsulfanyl-1-phenylsulfonyl-1<i>H</i>-indole-2-carbaldehyde","Acta Crystallographica Section E","2006","62","4","o1199","o1201","10.1107/S1600536806006799","","","0.71073","MoKα","","0.0786","0.0373","","","0.0976","0.1134","","","","","","1.057","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208504","10.2406","0.0007","13.2211","0.0012","14.7809","0.0014","97.837","0.011","109.463","0.01","92.057","0.01","1862.1","0.3","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","Tetra-μ~2~-cyano-κ^8^C:N-μ~2~-2,5-dimethylpyrazine-κ^2^N:N'- hexakis(2,5-dimethylpyrazine-κN)octa-μ~2~-thiocyanato-κ^16^N:S- decacopper(I,II)","","- C54 H56 Cu10 N26 S8 -","- C54 H56 Cu10 N26 S8 -","- C54 H56 Cu10 N26 S8 -","1","0.5","BT2007","Jeß, Inke; Näther, Christian","Tetra-μ~2~-cyano-κ^8^<i>C</i>:<i>N</i>-μ~2~-2,6-dimethylpyrazine-κ^2^<i>N</i>:<i>N</i>'-hexakis(2,6-dimethylpyrazine-κ<i>N</i>)octa-μ~2~-thiocyanato-κ^16^<i>N</i>:<i>S</i>-decacopper(I,II)","Acta Crystallographica Section E","2006","62","4","m721","m723","10.1107/S1600536806005770","","","0.71073","MoKα","","0.1486","0.059","","","0.1003","0.1258","","","","","","0.893","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208505","7.529","0.002","14.307","0.003","8.799","0.003","90","","106.39","0.03","90","","909.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]methanol","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","BT2010","Yan, Xiao-Chen; Wang, Hai-Bo; Liu, Zhi-Qian","[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]methanol","Acta Crystallographica Section E","2006","62","4","o1302","o1303","10.1107/S1600536806008142","","","0.71073","MoKα","","0.082","0.0532","","","0.1321","0.1524","","","","","","0.972","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208506","13.589","0.009","18.546","0.006","16.075","0.008","90","","90","","90","","4051","4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","a triazole derivative","2-[3-(Methylphenoxymethyl)-5-phenyl-4H-1,2,4-triazol-4-yl]benzoic acid","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C184 H152 N24 O24 -","8","1","BT2013","Rajnikant; Dinesh; Madhukar Baburao Deshmukh; Anshu Shawney","2-[3-(Methylphenoxymethyl)-5-phenyl-4<i>H</i>-1,2,4-triazol-4-yl]benzoic acid","Acta Crystallographica Section E","2006","62","4","o1373","o1374","10.1107/S1600536806008464","","","0.71069","MoKα","","0.1393","0.047","","","0.0932","0.115","","","","","","0.904","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208507","12.954","0.002","15.48","0.003","9.0431","0.0016","90","","100.321","0.003","90","","1784.1","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4-(Diethylamino)-2-hydroxybenzoyl]-3,4,5,6-tetrafluorobenzoic acid","","- C18 H15 F4 N O4 -","- C18 H15 F4 N O4 -","- C72 H60 F16 N4 O16 -","4","1","BT2014","Yan, Fan-Yong; Ge, Feng-Yan; Wang Jin-Peng; Yan Xi-Long; Bai Guo-Yi","2-[4-(Diethylamino)-2-hydroxybenzoyl]-3,4,5,6-tetrafluorobenzoic acid","Acta Crystallographica Section E","2006","62","4","o1509","o1510","10.1107/S1600536806009731","","","0.71073","MoKα","","0.0903","0.0448","","","0.1055","0.1307","","","","","","1","","","","has coordinates,has disorder,has Fobs","201973","2020-10-21","18:00:00",""
"2208508","17.48","0.003","10.922","0.002","18.03","0.003","90","","111.415","0.01","90","","3204.6","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Ammoniopropylammonium μ-dodecasulfido-tetrasulfidodecaantimony","","- C3 H12 N2 S16 Sb10 -","- C3 H12 N2 S16 Sb10 -","- C12 H48 N8 S64 Sb40 -","4","1","BT2015","Puls, Angela; Näther, Christian; Bensch, Wolfgang","2-Ammoniopropylammonium dodeca-μ-sulfido-tetrasulfidodecaantimony","Acta Crystallographica Section E","2006","62","4","m674","m676","10.1107/S1600536806006738","","","0.71073","MoKα","","0.0381","0.0241","","","0.0534","0.0558","","","","","","1.032","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208509","6.3442","0.0003","7.1089","0.0003","13.2655","0.0006","95.201","0.002","96.001","0.003","112.042","0.001","546.01","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis[4-(4-pyridyl)benzoato-κN]manganese(II)","","- C24 H24 Mn N2 O8 -","- C24 H24 Mn N2 O8 -","- C24 H24 Mn N2 O8 -","1","0.5","BT2016","Zeng, Ming-Hua; Wu, Mei-Chun; Ng, Seik Weng","Tetraaquabis[4-(4-pyridyl)benzoato-κ<i>N</i>]manganese(II)","Acta Crystallographica Section E","2006","62","4","m661","m662","10.1107/S1600536806006854","","","0.71073","MoKα","","0.044","0.036","","","0.09","0.097","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208510","7.2123","0.0005","9.2723","0.0006","10.9592","0.0007","90","","92.058","0.001","90","","732.42","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-3-Hydroxy-1-(N-p-nitrobenzyloxycarbonylacetimidoyl)pyrrolidine","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C28 H34 N6 O10 -","2","1","BT2017","Ren, Peng; Yang, Xue-Mei; Guo, Jing-Ning; Zhu, Xi-Zong","(<i>S</i>)-3-Hydroxy-1-(<i>N</i>-<i>p</i>-nitrobenzyloxycarbonylacetimidoyl)pyrrolidine","Acta Crystallographica Section E","2006","62","4","o1558","o1559","10.1107/S160053680601018X","","","0.71073","MoKα","","0.0427","0.0391","","","0.1038","0.1083","","","","","","1.051","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208511","28.879","0.0018","10.8803","0.0007","12.8559","0.0008","90","","113.685","0.001","90","","3699.2","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[[aqua(1,10-phenanthroline)cobalt(II)]-μ~3~-4-bromoisophthalato] monohydrate]","","- C20 H15 Br Co N2 O6 -","- C20 H15 Br Co N2 O6 -","- C160 H120 Br8 Co8 N16 O48 -","8","1","BT2018","Xin-Gen Hu; Hong-Ping Xiao","Poly[[[aqua(1,10-phenanthroline)cobalt(II)]-μ~3~-4-bromoisophthalato] monohydrate]","Acta Crystallographica Section E","2006","62","4","m668","m670","10.1107/S1600536806006829","","","0.71073","MoKα","","0.0358","0.029","","","0.0736","0.076","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208512","4.0226","0.0005","15.278","0.002","21.685","0.003","105.084","0.011","90.026","0.01","92.089","0.011","1285.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","3-Bromo-2-(2-fluorobenzyloxy)-phenylboronic acid","3-Bromo-2-(2-fluorobenzyloxy)phenylboronic acid","","- C13 H11 B Br F O3 -","- C13 H11 B Br F O3 -","- C52 H44 B4 Br4 F4 O12 -","4","2","BT2019","Serwatowski Janusz; Klis Tomasz; Kacprzak Kinga","3-Bromo-2-(2-fluorobenzyloxy)phenylboronic acid","Acta Crystallographica Section E","2006","62","4","o1308","o1309","10.1107/S1600536806007720","","","0.71073","MoKα","","0.0809","0.0486","","","0.099","0.1126","","","","","","0.922","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208513","12.1452","0.0002","10.6688","0.0002","23.1573","0.0006","90","","90","","90","","3000.6","0.11","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-Hydroxy-5,6-dihydro-4H-1,3-thiazine","4-Hydroxy-4-methyl-2,6-diphenyl-5,6-dihydro-4H-1,3-thiazine","","- C17 H17 N O S -","- C17 H17 N O S -","- C136 H136 N8 O8 S8 -","8","1","BT2020","Koketsu, Mamoru; Ebihara, Masahiro; Ishihara, Hideharu","4-Hydroxy-4-methyl-2,6-diphenyl-5,6-dihydro-4<i>H</i>-1,3-thiazine","Acta Crystallographica Section E","2006","62","4","o1218","o1220","10.1107/S1600536806007008","","","0.71073","MoKα","","0.0934","0.0464","","","0.0873","0.1017","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208514","9.581","0.0011","7.3961","0.0012","9.9354","0.0013","90","","103.355","0.007","90","","685","0.16","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(2-ethoxy-3,4-dioxocyclobutenylamino)-2-[2-(methylsulfanyl)ethyl]acetamide","","- C11 H16 N2 O4 S -","- C11 H16 N2 O4 S -","- C22 H32 N4 O8 S2 -","2","1","BT2021","Tsonko Kolev; Emiliya Cherneva; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge","<small>L</small>-Methioninamide ester amide of squaric acid diethyl ester","Acta Crystallographica Section E","2006","62","4","o1390","o1392","10.1107/S1600536806008440","","","0.71073","MoKα","","0.0563","0.0473","","","0.1154","0.1223","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208515","11.9243","0.0002","11.9243","0.0002","14.404","0.0003","90","","90","","90","","2048.09","0.06","120","2","120","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","7,10-Diazaflouranthene","Acenaphtho[1,2-b]pyrazine","","- C14 H8 N2 -","- C14 H8 N2 -","- C112 H64 N16 -","8","0.5","BT2022","Thorup, Niels; Eskildsen, Jørgen; Christensen, Jørn B.","Acenaphtho[1,2-<i>b</i>]pyrazine","Acta Crystallographica Section E","2006","62","4","o1291","o1292","10.1107/S1600536806007823","","","0.71073","MoKα","","0.0549","0.0433","","","0.0934","0.0992","","","","","","1.139","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208516","3.953","0.0005","12.2293","0.0014","14.8754","0.0017","65.832","0.002","89.487","0.002","82.995","0.003","650.52","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","1-benzoyl-3-(4-chlorophenyl)thiourea","","- C14 H11 Cl N2 O S -","- C14 H11 Cl N2 O S -","- C28 H22 Cl2 N4 O2 S2 -","2","1","BT2023","Khawar Rauf, M.; Badshah, Amin; Flörke, Ulrich; Saeed, Aamer","1-Benzoyl-3-(4-chlorophenyl)thiourea","Acta Crystallographica Section E","2006","62","4","o1419","o1420","10.1107/S160053680600910X","","","0.71073","MoKα","","0.0536","0.0437","","","0.1046","0.1107","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208517","6.257","0.002","11.719","0.003","13.392","0.005","90.45","0.013","101.719","0.008","100.067","0.015","945.7","0.5","291","1","291","1","","","","","","","","3","P -1","-P 1","2","","Bis[4-(2-methyl-2-propenyl)piperazin-1-yl]methane","","- C17 H32 N4 -","- C17 H32 N4 -","- C34 H64 N8 -","2","1","BT2024","Ricken, Stefan; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","Bis[4-(2-methyl-2-propenyl)piperazin-1-yl]methane","Acta Crystallographica Section E","2006","62","4","o1435","o1436","10.1107/S1600536806008622","","","0.71073","MoKα","","0.1318","0.0381","","","0.07","0.0826","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208518","11.353","0.004","7.827","0.003","8.217","0.003","90","","106.921","0.005","90","","698.6","0.4","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Naphthalene-1,5-diammonium diiodide dihydrate","","- C10 H16 I2 N2 O2 -","- C10 H16 I2 N2 O2 -","- C20 H32 I4 N4 O4 -","2","0.5","BT2025","Lemmerer, Andreas; Billing, David G.","Naphthalene-1,5-diammonium diiodide dihydrate","Acta Crystallographica Section E","2006","62","4","o1362","o1364","10.1107/S1600536806008191","","","0.71073","MoKα","","","0.0158","","","","0.0409","","","","","","1.135","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208519","9.238","0.002","10.124","0.003","9.696","0.002","90","","97.03","0.02","90","","900","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","<i>ent</i>-3β,16-Dihydroxyisopimar-7-ene-2,15-dione","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","BT2026","Li Pan; Kai-Bei Yu; Shu-Lin Peng; Yan Zhou; Li-Sheng Ding","<i>ent</i>-3β,16-Dihydroxyisopimar-7-ene-2,15-dione: a new tricyclic diterpenoid from the roots of <i>Euphorbia wallichii</i>","Acta Crystallographica Section E","2006","62","4","o1643","o1644","10.1107/S1600536806009536","","","0.71073","MoKα","","0.0657","0.0431","","","0.0943","0.1015","","","","","","0.929","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208520","7.5344","0.0008","7.5833","0.0008","12.8025","0.0014","78.355","0.002","81.757","0.002","68.04","0.002","662.58","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Methyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C28 H32 N4 O8 -","2","1","BT2027","Bing-Jian Yang; Jian-Jun Li; Zhen-Hua Li; Ping Li; Wei-Ke Su","Methyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2006","62","4","o1431","o1432","10.1107/S1600536806008609","","","0.71073","MoKα","","0.056","0.0519","","","0.1352","0.1389","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208521","8.398","0.005","8.611","0.005","12.54","0.005","92.821","0.005","103.344","0.005","102.407","0.005","857.1","0.8","293","2","","","","","","","","","","6","P -1","-P 1","2","","p-Phenylenediammonium tetraiodozincate(II) dihydrate","","- C6 H14 I4 N2 O2 Zn -","- C6 H14 I4 N2 O2 Zn -","- C12 H28 I8 N4 O4 Zn2 -","2","1","BT2029","Lemmerer, Andreas; Billing, David G.","<i>p</i>-Phenylenediammonium tetraiodozincate(II) dihydrate","Acta Crystallographica Section E","2006","62","4","m779","m781","10.1107/S1600536806009093","","","0.71069","MoKα","","","0.0275","","","","0.0707","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208522","7.154","0.001","14.36","0.002","15.704","0.002","84.85","0.01","88.61","0.01","83.31","0.01","1595.7","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis(3-pyridinecarboxamide-κN)copper(II) bis(2,4,6-trinitrophenolate)","","- C24 H24 Cu N10 O20 -","- C24 H24 Cu N10 O20 -","- C48 H48 Cu2 N20 O40 -","2","1","BT2031","Zeng, Ming-Hua; Zhu, Li-Hong; Liang, Hong; Ng, Seik Weng","Tetraaquabis(3-pyridinecarboxamide-κ<i>N</i>)copper(II) bis(2,4,6-trinitrophenolate)","Acta Crystallographica Section E","2006","62","4","m822","m823","10.1107/S1600536806009500","","","0.71073","MoKα","","0.0619","0.0475","","","0.1341","0.141","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208523","12.353","0.003","17.289","0.004","11.475","0.003","90","","117.46","0.02","90","","2174.6","1","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(5RS,6RS)-5,6-Di-tert-butyl-2,2,9,9-tetramethyldecane-3,8-dione","","- C22 H42 O2 -","- C22 H42 O2 -","- C88 H168 O8 -","4","1","BT2032","Mlynek, Cornelia; Hopf, Henning; Jones, Peter G.","(5<i>RS</i>,6<i>RS</i>)-5,6-Di-<i>tert</i>-butyl-2,2,9,9-tetramethyldecane-3,8-dione","Acta Crystallographica Section E","2006","62","4","o1483","o1484","10.1107/S1600536806009494","","","0.71073","MoKα","","0.0784","0.0518","","","0.1098","0.1268","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208524","9.7","0.004","11.068","0.004","16.514","0.008","90","","94.135","0.019","90","","1768.3","1.3","298","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2,4-Dichloro-5-isopropyloxyphenyl)-5-<i>tert</i>-butyl-1,3,4-oxadiazol-2-one","","- C15 H18 Cl2 N2 O3 -","- C15 H18 Cl2 N2 O3 -","- C60 H72 Cl8 N8 O12 -","4","1","BT2034","Guo-Lin Zhang","3-(2,4-Dichloro-5-isopropyloxyphenyl)-5-<i>tert</i>-butyl-1,3,4-oxadiazol-2-one","Acta Crystallographica Section E","2006","62","4","o1556","o1557","10.1107/S1600536806010129","","","0.71075","MoKα","","","0.0382","","","","0.0873","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208525","20.625","0.005","30.408","0.005","5.08","0.005","90","","90","","90","","3186","3","293","2","","","","","","","","","","5","F d d 2","F 2 -2d","43","","p-Nitroaniline hydrobromide","","- C6 H7 Br N2 O2 -","- C6 H7 Br N2 O2 -","- C96 H112 Br16 N32 O32 -","16","1","BT2035","Lemmerer, Andreas; Billing, David G.","<i>p</i>-Nitroaniline hydrobromide","Acta Crystallographica Section E","2006","62","4","o1562","o1564","10.1107/S1600536806010166","","","0.71069","MoKα","","","0.0236","","","","0.0563","","","","","","1.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208526","7.61","0.003","11.311","0.002","13.422","0.004","90","","90.16","0.03","90","","1155.3","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Benzyl-indole-2,3-dione(N-benzylisatin)","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","BT2037","Mehmet Akkurt; Sevim Türktekin; Ali Asghar Jarrahpour; Dariush Khalili; Orhan Büyükgüngör","<i>N</i>-Benzylindole-2,3-dione (<i>N</i>-benzylisatin)","Acta Crystallographica Section E","2006","62","4","o1575","o1577","10.1107/S1600536806010282","","","0.71073","MoKα","","0.0472","0.0394","","","0.0948","0.099","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208527","13.6894","0.0004","11.2312","0.0008","10.2511","0.0009","90","","106.086","0.004","90","","1514.38","0.18","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","BT2038","Bardajee, Ghasem Rezanejad; Winnik, Mitchell A.; Lough, Alan J.","4-[<i>N</i>-(2-Hydroxyethyl)-<i>N</i>-methylamino]-<i>N</i>-isopropyl-1,8-naphthalimide","Acta Crystallographica Section E","2006","62","4","o1615","o1617","10.1107/S1600536806010294","","","0.71073","MoKα","","0.0974","0.0543","","","0.1306","0.161","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208528","13.9793","0.0003","8.878","0.0001","11.487","0.0003","90","","96.7094","0.001","90","","1415.87","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Br Cl O2 -","- C16 H12 Br Cl O2 -","- C64 H48 Br4 Cl4 O8 -","4","1","BT2039","Harrison, William T. A.; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Vijaya Raj, K. K.","2-Bromo-1-chlorophenyl-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1578","o1579","10.1107/S1600536806010464","","","0.71073","MoKα","","0.0301","0.0242","","","0.0578","0.0603","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208529","5.136","0.0003","14.6772","0.001","15.0469","0.0009","90","","103.154","0.005","90","","1104.51","0.12","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(9H-fluoren-9-ylidene)benzene-1,4-diamine","","- C32 H20 N2 -","- C32 H20 N2 -","- C64 H40 N4 -","2","0.5","BT2040","Benya, Donna K.; de Freitas, Jorge F.; Crundwell, Guy; Glagovich, Neil M.","<i>N</i>,<i>N</i>'-Bis(9<i>H</i>-fluoren-9-ylidene)benzene-1,4-diamine","Acta Crystallographica Section E","2006","62","4","o1639","o1640","10.1107/S1600536806010786","","","0.7107","MoKα","","0.05","0.0378","","","0.0969","0.1016","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208530","8.7105","0.0013","10.6712","0.0016","15.48","0.002","90.766","0.002","100.366","0.002","91.856","0.002","1414.4","0.4","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 F O3 -","- C17 H15 F O3 -","- C68 H60 F4 O12 -","4","2","BT2041","Butcher, Ray J.; Yathirajan, H. S.; Anilkumar, H. G.; Sarojini, B. K.; Narayana, B.","3-(3,4-Dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1633","o1635","10.1107/S1600536806010609","","","0.71073","MoKα","","0.108","0.0467","","","0.1037","0.1233","","","","","","0.833","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208531","17.567","0.002","5.358","0.0007","16.153","0.002","90","","98.202","0.003","90","","1504.8","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","BT2042","Saeed, Aamer; Flörke, Ulrich","6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman","Acta Crystallographica Section E","2006","62","4","o1598","o1600","10.1107/S1600536806010816","","","0.71073","MoKα","","0.0923","0.0527","","","0.0952","0.1062","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208532","15.546","0.004","7.8944","0.0019","25.522","0.007","90","","90","","90","","3132.2","1.4","293","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1-naphthylammonium) triiodoplumbate(II)","","- C10 H10 I3 N Pb -","- C10 H10 I3 N Pb -","- C80 H80 I24 N8 Pb8 -","8","1","BT2043","Lemmerer, Andreas; Billing, David G.","1-Naphthylammonium triiodoplumbate(II)","Acta Crystallographica Section E","2006","62","4","m904","m906","10.1107/S1600536806011032","","","0.71073","MoKα","","","0.0363","","","","0.0787","","","","","","0.959","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208533","10.45","0.002","10.495","0.002","18.938","0.004","90","","102.73","0.03","90","","2025.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,6-bis(4-chlorophenyl)-3,4-dihydro-8-(4-pyridyl)pyrrolo[1,2-a]pyrazine","","- C24 H17 Cl2 N3 -","- C24 H17 Cl2 N3 -","- C96 H68 Cl8 N12 -","4","1","BV2004","Qiu, Xiao-Yang; Liu, Wei-Sheng; Zhu, Hai-Liang; Ma, Ji-Long","1,6-Bis(4-chlorophenyl)-8-(4-pyridyl)-3,4-dihydropyrrolo[1,2-<i>a</i>]pyrazine","Acta Crystallographica Section E","2006","62","4","o1625","o1626","10.1107/S1600536806009937","","","0.71073","MoKα","","0.0996","0.0765","","","0.1647","0.1742","","","","","","1.129","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208534","9.7681","0.0014","9.7681","0.0014","19.632","0.004","90","","90","","90","","1873.2","0.5","292","2","292","2","","","","","","","","5","P 41","P 4w","76","","dimethylammonium diaquabis(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)indium(III)","","- C16 H18 In N3 O10 -","- C16 H18 In N3 O10 -","- C64 H72 In4 N12 O40 -","4","1","BV2005","Rong-Chang Zhang; Chun-Hui Yu","An indium(III) complex with pyridine-2,6-dicarboxylate","Acta Crystallographica Section E","2006","62","4","m807","m809","10.1107/S1600536806009196","","","0.71073","MoKα","","0.0315","0.0235","","","0.0381","0.039","","","","","","0.911","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208535","10.4825","0.0013","7.0735","0.0017","16.081","0.003","90","","90.556","0.012","90","","1192.3","0.4","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)1-Hydroxy-6,6-dimethyl-1H,6H-naphtho[1,2-c]furan-3,9-trione.","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","BV2007","Luke C. Henderson; Wendy A. Loughlin; Ian D. Jenkins; Peter C. Healy","(±)-1-Hydroxy-6,6-dimethyl-1<i>H</i>,6<i>H</i>-naphtho[1,2-<i>c</i>]furan-3,9-trione","Acta Crystallographica Section E","2006","62","4","o1440","o1442","10.1107/S1600536806009172","","","0.71069","MoKα","","0.0927","0.0596","","","0.1596","0.1794","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208536","12.896","0.003","13.523","0.003","15","0.004","90","","98.259","0.003","90","","2588.8","1.1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","n-Butyldichloro[2-oxido-1-naphthaldehyde oxido(4-pyridyl)methylhydrazone]tin(IV) methanol disolvate","","- C23 H28 Cl2 N3 O4 Sn -","- C23 H28 Cl2 N3 O4 Sn -","- C92 H112 Cl8 N12 O16 Sn4 -","4","1","BV2008","Shao-Wen Chen; Han-Dong Yin","The one-dimensional chain compound <i>n</i>-butyldichloro[2-oxido-1-naphthaldehyde (4-pyridylcarbonyl)hydrazonato]tin(IV) methanol disolvate","Acta Crystallographica Section E","2006","62","4","m925","m927","10.1107/S1600536806010890","","","0.71073","MoKα","","0.0613","0.0366","","","0.0994","0.1202","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208537","5.5808","0.0003","14.8272","0.0006","30.3806","0.0017","90","","90","","90","","2513.9","0.2","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,4-Dimethyl-6-phenyl-8-oxabicyclo[3.2.1]octan-3-one","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","BV2009","Dockendorff, Chris; Lautens, Mark; Lough, Alan J.","2,4-Dimethyl-6-phenyl-8-oxabicyclo[3.2.1]octan-3-one","Acta Crystallographica Section E","2006","62","4","o1601","o1603","10.1107/S1600536806009779","","","0.71073","MoKα","","0.1087","0.0495","","","0.1036","0.1287","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208538","16.281","0.0013","13.8472","0.0008","9.9233","0.0009","90","","90.721","0.007","90","","2237","0.3","295","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","9-Ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole","9-Ethyl-3-(9-ethyl-9H-carbazol-3-yl)-4-nitro-9H-carbazole","","- C28 H23 N3 O2 -","- C28 H23 N3 O2 -","- C112 H92 N12 O8 -","4","1","BV2010","Asker, Erol; Masnovi, John","9-Ethyl-3-(9<i>H</i>-9-ethylcarbazol-3-yl)-4-nitro-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","4","o1606","o1608","10.1107/S1600536806010713","","","0.71073","MoKα","","0.0611","0.0384","","","0.1001","0.1065","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208539","6.3295","0.0016","11.365","0.003","13.908","0.003","90","","90","","90","","1000.5","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","6-Amino-3-(β-D-2-deoxy-erythrofuranosyl)-2-fluuoropyridine","(2R,3R,5R)-5-(6-amino-2-fluoropyridin-3-yl)-2-(hydroxymethyl)-2,3,4,5- tetrahydrofuran-3-ol","","- C10 H13 F N2 O3 -","- C10 H13 F N2 O3 -","- C40 H52 F4 N8 O12 -","4","1","CF2004","Sun, Zhenhua; Lo, Wayne; McLaughlin, Larry W.","6-Amino-3-(β-<small>D</small>-2-deoxy-<i>erythro</i>-furanosyl)-2-fluoropyridine: a nucleoside analogue","Acta Crystallographica Section E","2006","62","4","o1437","o1439","10.1107/S1600536806007707","","","0.71073","MoKα","","0.0348","0.0327","","","0.0805","0.0816","","","","","","1.133","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208540","7.357","0.0002","8.2864","0.0002","11.7886","0.0003","90","","90","","90","","718.67","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Deoxy-2-fluoro-2-C-methyl-D-ribono-1,4-lactone","","- C6 H9 F O4 -","- C6 H9 F O4 -","- C24 H36 F4 O16 -","4","1","CF2007","Parker, Samuel; Watkin, David; Mayes, Benjamin; Storer, Richard; Jenkinson, Sarah; Fleet, George","2-Deoxy-2-fluoro-2-<i>C</i>-methyl-<small>D</small>-ribono-1,4-lactone (fluoromethylrib)","Acta Crystallographica Section E","2006","62","4","o1208","o1210","10.1107/S1600536806006337","","","0.71073","MoKα","","0.0295","0.0295","","0.0978","0.0978","0.0978","","","","","","0.9094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208541","5.3934","0.0002","11.1439","0.0005","9.7047","0.0005","90","","98.0288","0.0017","90","","577.57","0.04","110","","110","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","methylcyclopentane","","- C6 H12 -","- C6 H12 -","- C24 H48 -","4","1","CF2008","Bream, Richard; Watkin, David; Cowley, Andrew","Methylcyclopentane","Acta Crystallographica Section E","2006","62","4","o1211","o1212","10.1107/S1600536806006003","","","0.71073","MoKα","","0.0697","0.0697","","0.0965","0.0965","0.0965","","","","","","0.9363","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208542","7.147","0.001","15.722","0.002","16.077","0.003","90","","101.768","0.002","90","","1768.5","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromo{4-bromo-2-[2-(diethylaminoethyl)iminomethyl]phenolato}zinc(II)","","- C13 H19 Br3 N2 O Zn -","- C13 H19 Br3 N2 O Zn -","- C52 H76 Br12 N8 O4 Zn4 -","4","1","CF2011","You, Zhong-Lu; Wang, Jia; Han, Xiao","Dibromo{4-bromo-2-[2-(diethylaminoethyl)iminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2006","62","4","m714","m716","10.1107/S1600536806007665","","","0.71073","MoKα","","0.12","0.0533","","","0.115","0.1394","","","","","","0.998","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208543","7.195","0.001","13.888","0.002","33.602","0.004","90","","90","","90","","3357.7","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Azido{1-[(2-diethylaminoethylimino)methyl]naphthalato}copper(II)","","- C17 H21 Cu N5 O -","- C17 H21 Cu N5 O -","- C136 H168 Cu8 N40 O8 -","8","1","CF2016","Xiao-Yang Qiu","Azido{1-[(2-diethylaminoethylimino)methyl]naphthalato}copper(II)","Acta Crystallographica Section E","2006","62","4","m849","m850","10.1107/S1600536806010087","","","0.71073","MoKα","","0.0793","0.0548","","","0.1407","0.1559","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208544","14.53","0.003","3.949","0.0008","20.277","0.004","90","","108.163","0.003","90","","1105.5","0.4","200","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Br -","- C16 H9 Br -","- C64 H36 Br4 -","4","1","CF2017","Taylor, Robert E.; Raithby, Paul R.; Teat, Simon J.","1-Bromopyrene","Acta Crystallographica Section E","2006","62","4","o1604","o1605","10.1107/S160053680601052X","","","0.6775","Synchrotron","","","0.0463","","","","0.1256","","","","","","0.954","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208545","8.355","0.004","12.638","0.006","20.402","0.01","90","","98.544","0.007","90","","2130.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 N2 O2 Zn -","- C20 H36 N2 O2 Zn -","- C80 H144 N8 O8 Zn4 -","4","1","CF2018","Matthews, J.S.; Ouattara, T. S.; Butcher, R. J.","Bis[4-(1-ethylpropylimino)pentan-2-onato]zinc(II)","Acta Crystallographica Section E","2006","62","4","m867","m869","10.1107/S1600536806010476","","","0.71073","MoKα","","0.0263","0.0228","","","0.0589","0.0608","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208546","9.085","0.001","5.981","0.001","30.091","0.006","90","","95.66","0.03","90","","1627.1","0.5","293","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O -","- C22 H18 O -","- C88 H72 O4 -","4","1","CF2019","Vega, Daniel R.; Mufato, Jorge D.; Aguirre, Jose M.; Alesso, Elba N.; Lantaño, B.","<i>trans</i>-2-Benzoyl-1-phenylindan","Acta Crystallographica Section E","2006","62","4","o1618","o1620","10.1107/S1600536806010762","","","0.71073","MoKα","","","0.0479","","","","0.1005","","","","","","0.851","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208547","14.075","0.003","11.481","0.003","12.366","0.003","90","","106.38","0.003","90","","1917.2","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(N,N-dimethylethane-1,2-diamine)dithiocyanatocobalt(III) perchlorate","","- C10 H24 Cl Co N6 O4 S2 -","- C10 H24 Cl Co N6 O4 S2 -","- C40 H96 Cl4 Co4 N24 O16 S8 -","4","0.5","CI2007","Sun, Yu-Xi; Gu, Ke-Qiang; Yang, Guang; Xie, Fei; Sun, Yun-Jin","Bis(<i>N</i>,<i>N</i>-dimethylethane-1,2-diamine)dithiocyanatocobalt(III) perchlorate: a redetermination","Acta Crystallographica Section E","2006","62","4","m776","m778","10.1107/S1600536806008750","","","0.71073","MoKα","","0.0823","0.0522","","","0.1225","0.1379","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208548","5.6199","0.0011","16.824","0.003","26.87","0.005","90","","90","","90","","2540.5","0.8","291","1","291","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-Menthyl (S~P~,R~S~)-(2-p-tolylsulfinylethyl)phenylphosphinate","","- C25 H35 O3 P S -","- C25 H35 O3 P S -","- C100 H140 O12 P4 S4 -","4","1","CI2010","Osiński, Piotr W.; Saadi, Jakub; Ricken, Stefan; Schürmann, Markus; Preut, Hans; Pietrusiewicz, Michal; Eilbracht, Peter","({-})-Menthyl (<i>S</i>~P~,<i>R</i>~S~)-(2-<i>p</i>-tolylsulfinylethyl)phenylphosphinate","Acta Crystallographica Section E","2006","62","4","o1248","o1249","10.1107/S1600536806007458","","","0.71073","MoKα","","0.1406","0.0323","","","0.0598","0.0822","","","","","","0.894","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208549","7.105","0.002","6.413","0.002","8.19","0.003","90","","96.82","0.03","90","","370.5","0.2","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","5-Methyl-1,2,4-triazolo[1,5-a]pyrimidine-6-carbonitrile","","- C7 H5 N5 -","- C7 H5 N5 -","- C14 H10 N10 -","2","0.5","CI2013","Jan Lokaj; Viktor Kettmann; Svetozár Katuščák; Petra Černuchová; Viktor Milata; Fridrich Gregáň","5-Methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-6-carbonitrile","Acta Crystallographica Section E","2006","62","4","o1252","o1253","10.1107/S1600536806007240","","","0.71073","MoKα","","0.0951","0.0534","","","0.126","0.1472","","","","","","1.035","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208550","17.701","0.004","7.0661","0.0018","14.695","0.004","90","","104.607","0.004","90","","1778.6","0.8","294","2","294","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","3-[(2,4-Dinitrophenyl)hydrazonomethyl]phenol dimethylformamide solvate","","- C16 H17 N5 O6 -","- C16 H17 N5 O6 -","- C64 H68 N20 O24 -","4","1","CI2015","Jing, Zuo-Liang; Sun, Jia-Cui; Chen, Xin; Yu Ming","3-[(2,4-Dinitrophenyl)hydrazonomethyl]phenol dimethylformamide solvate","Acta Crystallographica Section E","2006","62","4","o1202","o1204","10.1107/S1600536806006908","","","0.71073","MoKα","","0.0793","0.0399","","","0.0938","0.1138","","","","","","1.003","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208551","7.3823","0.0002","7.8262","0.0002","13.9272","0.0003","79.062","0.001","76.801","0.001","78.81","0.001","759.54","0.03","100","0.1","297","2","","","","","","","","4","P -1","-P 1","2","Quinaldinium 2,4-dinitrobenzoate","2-Methylquinolinium 2,4-dinitrobenzoate","","- C17 H13 N3 O6 -","- C17 H13 N3 O6 -","- C34 H26 N6 O12 -","2","1","CI2016","Mohd Mustaqim Rosli; Hoong-Kun Fun; Ibrahim Abdul Razak; Pinanong Rodwatcharapiban; Suchada Chantrapromma","2-Methylquinolinium 2,4-dinitrobenzoate","Acta Crystallographica Section E","2006","62","4","o1221","o1223","10.1107/S160053680600691X","","","0.71073","MoKα","","0.0425","0.0359","","","0.0979","0.108","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208552","7.367","0.001","8.377","0.002","27.676","0.005","90","","90","","90","","1708","0.6","288","2","288","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6,6a,11,12-tetrahydro-8,9-dimethoxy-14H- dioxolo[4',5':7,8]isoquinolino[3,2-a]iosquinoline","Tetrahydroepiberberine","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","CI2018","Xiao-Ling Wang","Tetrahydroepiberberine","Acta Crystallographica Section E","2006","62","4","o1271","o1272","10.1107/S1600536806007471","","","0.71073","MoKα","","0.0615","0.0383","","","0.0799","0.0857","","","","","","0.952","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208553","7.5576","0.0017","8.4054","0.0018","13.795","0.003","96.672","0.003","98.394","0.003","98.975","0.003","847.6","0.3","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[diaquadi-μ~5~-succinato-μ~6~-succinato-dierbium(III)]","","- C12 H16 Er2 O14 -","- C12 H16 Er2 O14 -","- C24 H32 Er4 O28 -","2","1","CI2019","Dong, Gui-Ying; Cui, Guang-Hua; Lin, Jin","Poly[diaquadi-μ~6~-succinato-μ~5~-succinato-dierbium(III)]","Acta Crystallographica Section E","2006","62","4","m738","m740","10.1107/S1600536806007938","","","0.71073","MoKα","","0.0434","0.0386","","","0.1002","0.1044","","","","","","1.021","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208554","14.155","0.003","14.352","0.003","10.704","0.003","90","","90","","90","","2174.5","0.9","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","9-(3,4-Dichlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione","","- C23 H25 Cl2 N O2 -","- C23 H25 Cl2 N O2 -","- C92 H100 Cl8 N4 O8 -","4","1","CI2020","Liang-Ce Rong; Xiao-Yue Li; Chang-Sheng Yao; Hai-Ying Wang; Da-Qing Shi","9-(3,4-Dichlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2006","62","4","o1326","o1327","10.1107/S1600536806007951","","","0.71073","MoKα","","0.1454","0.0689","","","0.1565","0.1862","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208555","11.757","0.002","14.363","0.002","17.535","0.002","90","","90","","90","","2961.1","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dibromo{2-[3-(methylamino)propyliminomethyl]phenolato}zinc(II)","","- C11 H16 Br2 N2 O Zn -","- C11 H16 Br2 N2 O Zn -","- C88 H128 Br16 N16 O8 Zn8 -","8","1","CI2021","Xiao-Yang Qiu","Dibromo{2-[3-(methylamino)propyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2006","62","4","m717","m718","10.1107/S1600536806007562","","","0.71073","MoKα","","0.0968","0.0459","","","0.0976","0.119","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208556","18.905","0.004","8.4111","0.0016","11.419","0.002","90","","105.276","0.003","90","","1751.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Chlorophenyl)-5-(4-methylphenyl)-3-(2-pyridyl)-4H-1,2,4-triazole","","- C20 H15 Cl N4 -","- C20 H15 Cl N4 -","- C80 H60 Cl4 N16 -","4","1","CI2022","Zhang, Shu-Ping; Liu, Zhao-Di; Shao, Si-Chang","4-(4-Chlorophenyl)-5-(4-methylphenyl)-3-(2-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2006","62","4","o1279","o1280","10.1107/S1600536806007690","","","0.71073","MoKα","","0.0592","0.0402","","","0.108","0.1159","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208557","7.294","0.001","7.294","0.001","33.549","0.003","90","","90","","90","","1784.9","0.4","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C14 H19 Cu N5 S2 -","- C14 H19 Cu N5 S2 -","- C56 H76 Cu4 N20 S8 -","4","1","CI2024","You, Zhong-Lu; Wang, Jia; Han, Xiao","[<i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-(2-pyridylmethylene)ethane-1,2-diamine]dithiocyanatocopper(II)","Acta Crystallographica Section E","2006","62","4","m860","m861","10.1107/S1600536806010506","","","0.71073","MoKα","","0.0687","0.0436","","","0.0989","0.1084","","","","","","0.966","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208558","12.699","0.003","5.4604","0.0011","12.95","0.003","90","","114.07","0.03","90","","819.9","0.4","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,4-Diacetylbenzene","1,4-Diacetylbenzene","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","1","CI2026","Liu, Shan; Wu, Zhen-Yi; Shan, Ning; Wang, Dan-Dan; Zhu, Hong-Jun","1,4-Diacetylbenzene","Acta Crystallographica Section E","2006","62","4","o1582","o1583","10.1107/S1600536806010440","","","0.71073","MoKα","","0.0784","0.0692","","","0.1835","0.1947","","","","","","1.164","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208559","11.561","0.004","19.044","0.007","8.54","0.003","90","","110.104","0.006","90","","1765.7","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)-5-(4-methylphenyl)-3-(2-pyridyl)-4H-1,2,4-triazole","","- C21 H18 N4 O -","- C21 H18 N4 O -","- C84 H72 N16 O4 -","4","1","CI2030","Zhang, Shu-Ping; Liu, Zhao-Di; Chen, Shui-Dheng; Yang, Song; Shao, Si-Chang","4-(4-Methoxyphenyl)-5-(4-methylphenyl)-3-(2-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2006","62","4","o1516","o1517","10.1107/S1600536806009718","","","0.71073","MoKα","","0.1467","0.0456","","","0.0847","0.0961","","","","","","0.919","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208560","7.602","0.001","9.15","0.002","11.901","0.002","97.82","0.03","103.3","0.03","112.25","0.02","722.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Dibromo[N,N-dimethyl-N'-(2-pyridylmethylidene)propane-1,3-diamine]zinc(II)","","- C11 H17 Br2 N3 Zn -","- C11 H17 Br2 N3 Zn -","- C22 H34 Br4 N6 Zn2 -","2","1","CI2032","Yu-Liang Zhang","Dibromo[<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-(2-pyridylmethylidene)propane-1,3-diamine]zinc(II)","Acta Crystallographica Section E","2006","62","4","m902","m903","10.1107/S1600536806009986","","","0.71073","MoKα","","0.0521","0.0377","","","0.0829","0.0902","","","","","","0.997","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208561","9.261","0.001","10.178","0.001","17.274","0.002","100.9","0.01","100.88","0.01","93.66","0.01","1561.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Azido{4-bromo-2-[(2-diethylaminoethylimino)methyl]phenolato}nickel(II)","","- C13 H18 Br N5 Ni O -","- C13 H18 Br N5 Ni O -","- C52 H72 Br4 N20 Ni4 O4 -","4","2","CI2033","You, Zhong-Lu; Han, Xiao; Wang, Jia; Niu, Shu-Yun","Azido{4-bromo-2-[(2-diethylaminoethylimino)methyl]phenolato}nickel(II)","Acta Crystallographica Section E","2006","62","4","m851","m853","10.1107/S1600536806010051","","","0.71073","MoKα","","0.084","0.0561","","","0.1359","0.1542","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208562","6.909","0.001","20.183","0.002","12.554","0.001","90","","102.84","0.01","90","","1706.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{2-[2-(diethylamino)ethyliminomethyl]-4- nitrophenolato}dithiocyanatonickel(II) dihydrate","","- C28 H42 N8 Ni O8 S2 -","- C28 H42 N8 Ni O8 S2 -","- C56 H84 N16 Ni2 O16 S4 -","2","0.5","CI2035","You, Zhong-Lu; Niu, Shu-Yun","Bis{2-[2-(diethylamino)ethyliminomethyl]-4-nitrophenolato}dithiocyanatonickel(II) dihydrate","Acta Crystallographica Section E","2006","62","4","m922","m924","10.1107/S1600536806011214","","","0.71073","MoKα","","0.0451","0.0372","","","0.0913","0.0953","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208563","7.4777","0.0002","16.1092","0.0004","13.7416","0.0003","90","","104.043","0.001","90","","1605.84","0.07","120","0.1","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one‒(E)-3-(3-chloro- 4,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-2-propen-1-one (0.92/0.08)","","- C18.92 H19.77 Cl0.08 O4.92 -","- C18.924 H19.772 Cl0.076 O4.924 -","- C75.696 H79.088 Cl0.304 O19.696 -","4","1","CI6758","Ng Shea-Lin; P. S. Patil; Ibrahim Abdul Razak; Hoong-Kun Fun; S. M. Dharmaprakash","A cocrystal of 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and (<i>E</i>)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-2-propen-1-one (0.92/0.08)","Acta Crystallographica Section E","2006","62","4","o1228","o1230","10.1107/S1600536806007239","","","0.71073","MoKα","","0.0541","0.0427","","","0.1199","0.1279","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208564","9.323","0.002","13.051","0.003","17.241","0.004","90","","104.035","0.003","90","","2035.2","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-[4-(4-Bromostyryl)phenyl]-9H-carbazole","","- C26 H18 Br N -","- C26 H18 Br N -","- C104 H72 Br4 N4 -","4","1","CV2007","Li, Lin; Kong, Lin; Zhu, Chen-Hao","9-[4-(4-Bromostyryl)phenyl]-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","4","o1245","o1247","10.1107/S1600536806006957","","","0.71073","MoKα","","0.0809","0.0411","","","0.0963","0.1126","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208565","7.527","0.006","9.196","0.006","10.978","0.007","106.36","0.02","105.32","0.03","105.28","0.03","654.6","0.8","298","1","","","","","","","","","","5","P -1","-P 1","2","","N-Ethylethanaminium 3,5,6-trichloropyridin-2-olate","","- C9 H13 Cl3 N2 O -","- C9 H13 Cl3 N2 O -","- C18 H26 Cl6 N4 O2 -","2","1","CV2009","Hui Zheng; Yun-Kui Liu; Dan-Qian Xu; Zhen-Yuan Xu","<i>N</i>-Ethylethanaminium 3,5,6-trichloropyridin-2-olate","Acta Crystallographica Section E","2006","62","4","o1532","o1533","10.1107/S1600536806007100","","","0.71075","MoKα","","","0.0387","","","","0.1161","","","","","","1.009","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208566","25.568","0.003","15.73","0.002","16.664","0.002","90","","123.52","0.002","90","","5587.4","1.2","294","2","294","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","{2-[2-(1H-1,3-Benzimidazol-2-yl)ethyliminomethyl]-2,4-dibromophenolato}(1,10- phenanthroline)copper(II) tetrafluoroborate","","- C28 H20 B Br2 Cu F4 N5 O -","- C28 H20 B Br2 Cu F4 N5 O -","- C224 H160 B8 Br16 Cu8 F32 N40 O8 -","8","1","CV2011","Xiao-Hang Qiu; Jun Zhao; Xiao-Lan Tong","{2-[2-(1<i>H</i>-1,3-Benzimidazol-2-yl)ethyliminomethyl]-2,4-dibromophenolato}(1,10-phenanthroline)copper(II) tetrafluoroborate","Acta Crystallographica Section E","2006","62","4","m841","m842","10.1107/S1600536806009883","","","0.71073","MoKα","","0.091","0.047","","","0.099","0.119","","","","","","1.01","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208567","5.867","0.001","10.638","0.002","13.982","0.003","69.44","0.03","78.09","0.03","86.28","0.03","799.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Bromobenzoyl)-N-phenyl-1,3-oxazolidin-2-imine","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C34 H30 Br2 N4 O4 -","2","1","CV2012","Kim, Taek Hyeon; Jang, Jung Hee; Lee, Uk","3-(4-Bromobenzoyl)-<i>N</i>-phenyl-1,3-oxazolidin-2-imine","Acta Crystallographica Section E","2006","62","4","o1306","o1307","10.1107/S1600536806007847","","","0.71069","MoKα","","0.1352","0.0745","","","0.1552","0.1959","","","","","","1.127","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208568","12.81","0.003","25.693","0.005","3.992","0.0008","90","","90","","90","","1313.9","0.5","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C64 H52 Cl4 O8 -","4","1","CV2013","Qiu, Xiao-Yang; Yang, Sen-Lin; Liu, Wei-Sheng; Zhu, Hai-liang","(<i>E</i>)-1-(4-Chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1627","o1628","10.1107/S1600536806009561","","","0.71073","MoKα","","0.1117","0.0992","","","0.1825","0.1876","","","","","","1.337","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208569","9.7834","0.0014","12.4798","0.0017","10.0924","0.0015","90","","92.447","0.003","90","","1231.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-(Isonicotinoylhydrazono)pentanoic acid monohydrate","","- C11 H15 N3 O4 -","- C11 H15 N3 O4 -","- C44 H60 N12 O16 -","4","1","CV2014","Yong-Tao Wang; Gui-Mei Tang","(<i>E</i>)-4-(Isonicotinoylhydrazono)pentanoic acid monohydrate","Acta Crystallographica Section E","2006","62","4","o1469","o1470","10.1107/S1600536806009573","","","0.71073","MoKα","","0.1174","0.0797","","","0.1693","0.1849","","","","","","1.233","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208570","12.968","0.003","9.622","0.002","7.8091","0.0017","90","","97.45","0.003","90","","966.2","0.4","291","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[3-(4-Chlorophenyl)isoxazol-5-yl]methanol","","- C10 H8 Cl N O2 -","- C10 H8 Cl N O2 -","- C40 H32 Cl4 N4 O8 -","4","1","CV2015","Li-Da Tang; Da-Tong Zhang; Fang-Gang Sun; Gui-Yun Duan; Jian-Wu Wang","[3-(4-Chlorophenyl)isoxazol-5-yl]methanol","Acta Crystallographica Section E","2006","62","4","o1298","o1299","10.1107/S1600536806008270","","","0.71073","MoKα","","0.0539","0.0481","","","0.1166","0.1203","","","","","","1.149","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208571","7.2544","0.0006","7.3755","0.0007","11.8649","0.0011","98.108","0.008","101.603","0.007","105.518","0.008","586.28","0.1","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","6-(2-Chloro-4-fluorobenzylamino)purine","","- C12 H9 Cl F N5 -","- C12 H9 Cl F N5 -","- C24 H18 Cl2 F2 N10 -","2","1","CV2016","Trávníc̆ek, Zdenĕk; Marek, Jaromír; Popa, Igor","6-(2-Chloro-4-fluorobenzylamino)purine","Acta Crystallographica, Section E","2006","62","4","o1536","o1538","10.1107/S1600536806009895","","","0.71073","MoKα","","0.0459","0.0425","","","0.1052","0.1076","","","","","","1.043","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208572","10.0858","0.0009","3.8057","0.0004","14.5664","0.0013","90","","100.648","0.002","90","","549.48","0.09","293","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[bis(N-oxopyridine-2-thiolato)cadmium(II)]","","- C10 H8 Cd N2 O2 S2 -","- C10 H8 Cd N2 O2 S2 -","- C20 H16 Cd2 N4 O4 S4 -","2","0.5","CV2018","Wang, Xiu-Jian; Gui, Liu-Chen; Shen, Zhong-Su; Ni, Qing-Ling; Zeng, Jian-Qiang","<i>catena</i>-Poly[cadmium(II)-di-μ-<i>N</i>-oxopyridine-2-thiolato]","Acta Crystallographica Section E","2006","62","4","m931","m933","10.1107/S1600536806010841","","","0.71073","MoKα","","0.0256","0.0228","","","0.0588","0.0598","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208573","8.664","0.004","11.779","0.003","20.803","0.007","90","","95.812","0.016","90","","2112.1","1.3","173","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ-isophthalato-O,O-[(2,2'-diquinolyl-N,N')zinc(II)]]","","- C26 H16 N2 O4 Zn -","- C26 H16 N2 O4 Zn -","- C104 H64 N8 O16 Zn4 -","4","1","CV2020","Ao, Wenjiang; Li, Zhaohui; Wang, Xuxu; Fu, Xianzhi","<i>catena</i>-Poly[[(2,2'-diquinolyl-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-isophthalato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","4","m907","m909","10.1107/S1600536806010518","","","0.71069","MoKα","","0.0522","0.0361","","","0.0879","0.0955","","","","","","1.005","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208574","8.68","0.004","10.118","0.005","11.339","0.005","83.092","0.008","68.493","0.006","64.905","0.007","838.3","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","α-[(4-methoxyphenyl)thio] -1,2,3-Thiadiazole-4-acetylmorpholine","","- C15 H17 N3 O3 S2 -","- C15 H17 N3 O3 S2 -","- C30 H34 N6 O6 S4 -","2","1","CV2022","Dong, Wei-Li; Zhao, Wei-Guang; Li, Zheng-Ming; Song, Hai-Bin","4-{2-[(4-Methoxyphenyl)sulfanyl]-2-(1,2,3-thiadiazol-4-yl)acetyl}morpholine","Acta Crystallographica Section E","2006","62","4","o1645","o1646","10.1107/S1600536806010853","","","0.71073","MoKα","","0.0645","0.0496","","","0.1313","0.1452","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208575","8.5456","0.001","12.5165","0.0015","18.109","0.002","90","","90","","90","","1937","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[2-(dimethylamino)ethanol-κ^2^N,O](2,4-pentanedionate-κ^2^O,O')nickel(II) acetate","","- C15 H32 N2 Ni O6 -","- C15 H32 N2 Ni O6 -","- C60 H128 N8 Ni4 O24 -","4","1","CV6645","Muhammad, Sultan; Mazhar, Muhammad; Zeller, Matthias; Hunter, Allen D.","Bis[2-(dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>](2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')nickel(II) acetate","Acta Crystallographica Section E","2006","62","4","m824","m826","10.1107/S1600536806009482","","","0.71073","MoKα","","0.0247","0.0243","","","0.0623","0.0626","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208576","9.102","0.002","12.322","0.003","18.542","0.004","90","","90","","90","","2079.6","0.8","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthalenyl-3-carbaldehyde","","- C25 H22 O5 -","- C25 H22 O5 -","- C100 H88 O20 -","4","1","DN2005","Chen, Wei-Zhu; Fang, Hua; Zeng, Qing-Le; Xu, Peng-Xiang; Zhao, Yu-Fen","(<i>R</i>)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthalenyl-3-carbaldehyde","Acta Crystallographica Section E","2006","62","4","o1243","o1244","10.1107/S1600536806007574","","","0.71073","MoKα","","0.048","0.0451","","","0.1184","0.1201","","","","","","1.151","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208577","9.8093","0.0009","5.1846","0.0003","17.5233","0.0016","90","","123.78","0.006","90","","740.74","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-diaquabis(picolinato-κ^2^N,O)cobalt(II) dihydrate","","- C12 H16 Co N2 O8 -","- C12 H16 Co N2 O8 -","- C24 H32 Co2 N4 O16 -","2","0.5","DN2006","Heren, Zerrin; Ersanlı, Cem Cüneyt; Keser, Cem; Ocak Ískeleli, Nazan","Redetermination of <i>trans</i>-diaquabis(picolinato-κ^2^<i>N</i>,<i>O</i>)cobalt(II) dihydrate","Acta Crystallographica Section E","2006","62","4","m796","m798","10.1107/S1600536806009081","","","0.71073","MoKα","","0.0328","0.0239","","","0.0604","0.0626","","","","","","1.028","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208578","27.06","0.05","6.79","0.01","14.7","0.03","90","","97.67","0.07","90","","2677","8","123.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{μ-2,2'-[ethane-1,3-diylbis(nitrilomethylidyne)]diphenolato}dizinc(II)","","- C32 H28 N4 O4 Zn2 -","- C32 H28 N4 O4 Zn2 -","- C128 H112 N16 O16 Zn8 -","4","0.5","DN2007","Odoko, Mamiko; Tsuchida, Natsuko; Okabe, Nobuo","Bis{μ-2,2'-[ethane-1,3-diylbis(nitrilomethylidyne)]diphenolato}dizinc(II)","Acta Crystallographica Section E","2006","62","4","m708","m709","10.1107/S1600536806007811","","","0.7107","MoKα","","","0.071","","","","0.2","","","","","","0.887","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2208579","8.731","0.007","24.06","0.02","7.488","0.007","90","","90","","90","","1573","2","296.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Aqua{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}zinc(II)","","- C17 H18 N2 O3 Zn -","- C17 H18 N2 O3 Zn -","- C68 H72 N8 O12 Zn4 -","4","0.5","DN2008","Odoko, Mamiko; Tsuchida, Natsuko; Okabe, Nobuo","Aqua{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}zinc(II)","Acta Crystallographica Section E","2006","62","4","m710","m711","10.1107/S1600536806007677","","","0.7107","MoKα","","","0.018","","","","0.054","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2208580","8.4","0.003","7.737","0.003","16.477","0.006","90","","98.949","0.007","90","","1057.8","0.7","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl [hydroxy(phenyl)methyl]phosphonate","","- C9 H13 O4 P -","- C9 H13 O4 P -","- C36 H52 O16 P4 -","4","1","DN2009","Fang, Hua; Fang, Mei-Juan; Zeng, Zhi-Ping; Wei, Zan-Bin; Zhao, Yu-Fen","Dimethyl [hydroxy(phenyl)methyl]phosphonate","Acta Crystallographica Section E","2006","62","4","o1378","o1379","10.1107/S1600536806008294","","","0.71073","MoKα","","0.0837","0.0671","","","0.1745","0.1864","","","","","","1.093","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208581","11.071","0.003","12.118","0.003","12.998","0.002","90","","90","","90","","1743.8","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1H-7-Aza-13a-methyl-2,3,3a,3b,11,11a,11b,12,13,13a-decahydro- indeno[6,7-<i>a</i>]anthracen-1-ol","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","DN2010","Ji-Zhong Yan; Cheng-Cai Xia; Guo-Wu Rao","13a-Methyl-2,3,3a,3b,11,11a,11b,12,13,13a-decahydro-1<i>H</i>-7-azaindeno[5,4-<i>a</i>]anthracen-1-ol","Acta Crystallographica Section E","2006","62","4","o1586","o1587","10.1107/S1600536806010117","","","0.71073","MoKα","","0.1027","0.0371","","","0.0836","0.1051","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208582","9.0404","0.0012","11.7373","0.0015","18.768","0.002","90","","90","","90","","1991.5","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-[(R)-1-(2-Hydroxy-3,5-dimethylphenyl)ethyl]-N-[(R)-2-methyl-1- phenylpropyl]ammonium chloride","","- C20 H28 Cl N O -","- C20 H28 Cl N O -","- C80 H112 Cl4 N4 O4 -","4","1","DN2012","Guang-You Zhang; Jin-Yan Zhao; Xiang-Bo Wang; Wan-Hui Wang","<i>N</i>-[(<i>R</i>)-1-(2-Hydroxy-3,5-dimethylphenyl)ethyl]-<i>N</i>-[(<i>R</i>)-2-methyl-1-phenylpropyl]ammonium chloride","Acta Crystallographica Section E","2006","62","4","o1543","o1545","10.1107/S1600536806010002","","","0.71073","MoKα","","0.0456","0.0439","","","0.1018","0.1031","","","","","","1.185","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208583","8.1605","0.0005","17.7094","0.0011","12.8041","0.0008","90","","100.058","0.001","90","","1822","0.2","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Furylideneacetophenone 2,4-dinitrophenylhydrazone","","- C19 H14 N4 O5 -","- C19 H14 N4 O5 -","- C76 H56 N16 O20 -","4","1","DN2013","Qian, Heng-Yu; Liu, Cheng; Yin, Zhi-Gang","3-(2-Furyl)-1-phenylprop-2-en-1-one 2,4-dinitrophenylhydrazone","Acta Crystallographica Section E","2006","62","4","o1623","o1624","10.1107/S1600536806009329","","","0.71073","MoKα","","0.0686","0.0439","","","0.1176","0.1348","","","","","","1.047","","","","has coordinates,has Fobs","192349","2020-10-21","18:00:00",""
"2208584","9.672","0.002","11.414","0.003","11.656","0.003","90","","90","","90","","1286.8","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Zederone","5,9,14-Trimethyl-4,12-dioxa-tricyclo[9.3.0.0^3,5^]tetradeca-1(11),8,13-trien- 2-one","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","DN2014","Chan, Kam Seng; Zakaria, Zuriati; Malek, Sri N. A.; Yamin, Bohari M.","5,9,14-Trimethyl-4,12-dioxatricyclo[9.3.0.0^3,5^]tetradeca-1(11),8,13-trien-2-one (zederone)","Acta Crystallographica Section E","2006","62","4","o1546","o1547","10.1107/S1600536806010221","","","0.71073","MoKα","","0.0362","0.034","","","0.0945","0.0966","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208585","4.1831","0.0006","32.562","0.002","13.627","0.001","90","","98.43","0.01","90","","1836.1","0.3","299","2","299","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Malabaricone-A","1-(2,6-dihydroxyphenyl)-9-phenylnonan-1-one","","- C21 H26 O3 -","- C21 H26 O3 -","- C84 H104 O12 -","4","1","DN6290","Bauri, A. K.; Foro, Sabine; Lindner, Hans J.; Nayak, S. K.","Malabaricone A isolated from a methanol extract of <i>Myristica malabarica</i>","Acta Crystallographica Section E","2006","62","4","o1338","o1339","10.1107/S1600536806008257","","","1.5418","CuKα","","0.0769","0.0458","","","0.1251","0.1434","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208586","8.428","0.001","11.112","0.002","12.324","0.002","90","","103.08","0.01","90","","1124.2","0.3","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Seselin","2',2'-dimethyl-3-pyreno[6'5:7,8]coumarin","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","DN6291","Bauri, A. K.; Foro, Sabine; Lindner, Hans-Jörg; Nayak, Sandip K.","Reinvestigation of seselin","Acta Crystallographica Section E","2006","62","4","o1340","o1341","10.1107/S1600536806008221","","","1.5418","CuKα","","0.0482","0.0451","","","0.116","0.1193","","","","","","1.116","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208587","18.3046","0.0017","7.392","0.0007","15.0771","0.0014","90","","90","","90","","2040","0.3","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","catena-Poly[[triaquazinc(II)]-μ-5-hydroxyisophthalato-κ^2^O:O']","","- C8 H10 O8 Zn -","- C8 H10 O8 Zn -","- C64 H80 O64 Zn8 -","8","1","ER6038","Hong-Ping Xiao","<i>catena</i>-Poly[[triaquazinc(II)]-μ-5-hydroxyisophthalato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","4","m731","m733","10.1107/S1600536806008063","","","0.71073","MoKα","","0.0615","0.0567","","","0.1045","0.1062","","","","","","1.311","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208588","18.3236","0.0012","7.3975","0.0005","15.0812","0.001","90","","90","","90","","2044.2","0.2","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","catena-Poly[[triaquazinc(II)]-μ-5-hydroxyisophthalato-κ^2^O:O']","","- C8 H10 O8 Zn -","- C8 H10 O8 Zn -","- C64 H80 O64 Zn8 -","8","1","ER6040","Wang, Zuo-Wei; Li, Yi-Zhi; Cai, Ya; Zheng, He-Gen","<i>catena</i>-Poly[[triaquazinc(II)]-μ-5-hydroxyisophthalato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","4","m734","m735","10.1107/S1600536806008075","","","0.71073","MoKα","","0.0415","0.0307","","","0.0627","0.0661","","","","","","0.954","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208589","8.241","0.002","12.698","0.003","12.194","0.003","90","","95.474","0.004","90","","1270.2","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-Hydroxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","ER6041","Qiu, Xiao-Yang; Liu, Wei-Sheng; Zhu, Hai-Liang","3-(3-Hydroxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1304","o1305","10.1107/S160053680600821X","","","0.71073","MoKα","","0.113","0.0999","","","0.1795","0.1851","","","","","","1.336","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208590","6.9002","0.0004","15.74","0.001","25.533","0.001","90","","91.132","0.001","90","","2772.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-[6-(4-Bromophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-3-yl]propanol","","- C13 H13 Br N4 O S -","- C13 H13 Br N4 O S -","- C104 H104 Br8 N32 O8 S8 -","8","2","FL2001","Li-Xue Zhang; Jian-Yu Jin; San-Nu Zhou; Hong-Ping Xiao; An-Jiang Zhang","3-[6-(4-Bromophenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazin-3-yl]propanol","Acta Crystallographica Section E","2006","62","4","o1224","o1225","10.1107/S1600536806006775","","","0.71073","MoKα","","0.0435","0.0312","","","0.0744","0.08","","","","","","1.012","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208591","7.5119","0.0007","7.7072","0.0005","10.879","0.001","90","","121.494","0.006","90","","537.07","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-dioxaoctane-1,8-diammonium oxalate","","- C8 H18 N2 O6 -","- C8 H18 N2 O6 -","- C16 H36 N4 O12 -","2","0.5","FL2006","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3,6-Dioxaoctane-1,8-diammonium oxalate","Acta Crystallographica Section E","2006","62","4","o1524","o1525","10.1107/S1600536806009822","","","0.71073","MoKα","","0.0346","0.0305","","","0.0741","0.0764","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208592","15.325","0.003","7.8364","0.0016","11.773","0.002","90","","93.293","0.004","90","","1411.5","0.5","294","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-N-(p-tolylsulfonyl)aziridine","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","1","FL2007","Jie Zhu; Ming-Jie Zhang; Qing-Wei Liu; Zhao-Hui Pan","2-Phenyl-<i>N</i>-(<i>p</i>-tolylsulfonyl)aziridine","Acta Crystallographica Section E","2006","62","4","o1507","o1508","10.1107/S1600536806009603","","","0.71073","MoKα","","0.0915","0.0435","","","0.0983","0.1181","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208593","5.5926","0.0003","27.063","0.0002","7.6829","0.0004","90","","92.439","0.004","90","","1161.77","0.09","295","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methyl-5-(4-oxo-4H-chromen-3-ylmethylene)-1,3-thiazolidine-2,4-dione","","- C14 H9 N O4 S -","- C14 H9 N O4 S -","- C56 H36 N4 O16 S4 -","4","1","FL2008","Aslantaş, Mehmet; Ceylan‒Ünlüsoy, Meltem; Ertan, Rahmiye; Kendi, Engin; Büyükgüngör, Orhan","3-Methyl-5-(4-oxo-4<i>H</i>-chromen-3-ylmethylene)-1,3-thiazolidine-2,4-dione","Acta Crystallographica Section E","2006","62","4","o1471","o1473","10.1107/S1600536806008762","","","0.71073","MoKα","","","0.0275","","","","0.0686","","","","","","0.962","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208594","14.608","0.002","6.709","0.0011","14.975","0.003","90","","112.946","0.003","90","","1351.5","0.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N'-[(2-Methoxyphenyl)carbonothioyl]pyridine-2-carbohydrazide","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","1","FL2010","Singh, N. K.; Butcher, Ray J; Tripathi, Pratibha","<i>N</i>'-(2-Methoxythiobenzoyl)pyridine-2-carbohydrazide","Acta Crystallographica Section E","2006","62","4","o1405","o1407","10.1107/S1600536806008816","","","0.71073","MoKα","","0.0441","0.0342","","","0.0894","0.0954","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208595","12.456","0.0009","29.3559","0.0019","8.002","0.0005","90","","90","","90","","2926","0.3","130","2","130","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","brucinium hydrogen isophthalate trihydrate","2,3-dimethoxy-10-oxostrychnidinium 3-carboxybenzoate trihydrate","","- C31 H38 N2 O11 -","- C31 H38 N2 O11 -","- C124 H152 N8 O44 -","4","1","FL2011","Graham Smith; Urs D. Wermuth; David J. Young; Jonathan M. White","2,3-Dimethoxy-10-oxostrychnidinium 3-carboxybenzoate trihydrate: the 1:1 proton-transfer compound of brucine with isophthalic acid","Acta Crystallographica Section E","2006","62","4","o1553","o1555","10.1107/S1600536806010026","","","0.71073","MoKα","","0.0866","0.0536","","","0.0869","0.0948","","","","","","0.854","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208596","15.658","0.004","7.3521","0.0012","11.284","0.002","90","","93.53","0.02","90","","1296.5","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-3,4-bis(bromomethyl)-2,2,5,5-tetramethylhex-3-ene","","- C12 H22 Br2 -","- C12 H22 Br2 -","- C48 H88 Br8 -","4","0.5","FL2012","Hänel, Ralf; Bubenitschek, Peter; Hopf, Henning; Jones, Peter G.","A sterically crowded molecule: (<i>E</i>)-3,4-bis(bromomethyl)-2,2,5,5-tetramethylhex-3-ene","Acta Crystallographica Section E","2006","62","4","o1480","o1482","10.1107/S1600536806009627","","","0.71073","MoKα","","0.0309","0.0268","","","0.0652","0.0683","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208597","6.5419","0.0006","11.5935","0.001","13.4632","0.0012","67.29","0.002","77.302","0.002","82.612","0.002","917.81","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]bis(2-hydroxyethyl)ammonium 4-nitrobenzoate monohydrate","","- C15 H26 N2 O10 -","- C15 H26 N2 O10 -","- C30 H52 N4 O20 -","2","1","FL6216","Xin-Gen Hu; Hui-Min Zhang; Bing Tu; Ying-Ying Fang; Zhi-Min Jin","[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]bis(2-hydroxyethyl)ammonium 4-nitrobenzoate monohydrate","Acta Crystallographica Section E","2006","62","4","o1276","o1278","10.1107/S1600536806007276","","","0.71073","MoKα","","0.0563","0.0502","","","0.136","0.1415","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208598","9.5629","0.0017","10.6579","0.0019","21.353","0.004","90","","101.155","0.003","90","","2135.2","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[triphenyltin(IV)]-μ-6-hydroxypyridine-3-carboxylato]","","- C24 H19 N O3 Sn -","- C24 H19 N O3 Sn -","- C96 H76 N4 O12 Sn4 -","4","1","HB2011","Zhong-Jun Gao; Han-Dong Yin; Gang Li; Da-Qi Wang","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-6-oxo1,6-dihydropyridine-3-carboxylato]","Acta Crystallographica Section E","2006","62","4","m666","m667","10.1107/S1600536806006726","","","0.71073","MoKα","","0.0396","0.0269","","","0.0622","0.071","","","","","","1","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208599","12.1623","0.0008","13.246","0.0008","17.485","0.001","111.712","0.001","100.538","0.001","92.334","0.001","2554.7","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Tris[2,5-bis(1H-benzimidazol-2-yl)pyridinato-κ^2^N^1^,N^2^]cobalt(III) dihydrate","","- C57 H40 Co N15 O2 -","- C57 H40 Co N15 O2 -","- C114 H80 Co2 N30 O4 -","2","1","HB2012","Zhou, Yan-Ling; Zeng, Ming-Hua; Ng, Seik Weng","Tris[2,5-bis(1<i>H</i>-benzimidazol-2-yl)pyridinato-κ^2^<i>N</i>^1^,<i>N</i>^2^]cobalt(III) dihydrate","Acta Crystallographica Section E","2006","62","4","m663","m665","10.1107/S1600536806007082","","","0.71073","MoKα","","0.127","0.058","","","0.13","0.164","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208600","4.2929","0.0008","4.2929","0.0008","16.276","0.006","90","","90","","120","","259.76","0.12","120","2","120","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","uranium diplatinum pentaaluminium","","- Al5 Pt2 U0.67 -","- Al5.047 Pt2 U0.67 -","- Al10.094 Pt4 U1.34 -","2","0.0833333","HB2014","Bobev, Svilen; Bauer, Eric D.; Sarrao, John L.","Uranium and aluminium order‒disorder in U~1{-~<i>x</i>}Pt~2~Al~7{-~6<i>x</i>} [<i>x</i> = 0.33(1)]","Acta Crystallographica Section E","2006","62","4","i77","i79","10.1107/S1600536806007288","","","0.71073","MoKα","","0.025","0.0199","","","0.0383","0.0392","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208601","15.743","0.001","11.697","0.001","6.995","0.001","90","","90","","90","","1288.1","0.2","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Pentaaqua(pyridine-3,5-dicarboxylato-κN)nickel(II) dihydrate","","- C7 H17 N Ni O11 -","- C7 H17 N Ni O11 -","- C28 H68 N4 Ni4 O44 -","4","1","HB2015","Zhang, Xiang-Pei; Yang, Guang; Ng, Seik Weng","Pentaaqua(pyridine-3,5-dicarboxylato-κ<i>N</i>)nickel(II) dihydrate","Acta Crystallographica Section E","2006","62","4","m791","m792","10.1107/S1600536806008865","","","0.71073","MoKα","","0.024","0.022","","","0.064","0.066","","","","","","1.06","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2208602","8.643","0.005","9.102","0.005","14.302","0.009","99.84","0.02","99.27","0.01","106.43","0.01","1036.9","1.1","295","2","295","3","","","","","","","","6","P -1","-P 1","2","","Bis(5-bromo-1H-indole-3-carbaldehyde 2-nitrobenzoylhydrazonato- κ^2^N,O)bis(N,N-dimethylformamide-κO)copper(II)","","- C38 H34 Br2 Cu N10 O8 -","- C38 H34 Br2 Cu N10 O8 -","- C38 H34 Br2 Cu N10 O8 -","1","0.5","HB2016","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng","Bis(5-bromo-1<i>H</i>-indole-3-carbaldehyde 2-nitrobenzoylhydrazonato-κ^2^<i>N</i>,<i>O</i>)bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2006","62","4","m724","m725","10.1107/S1600536806007616","","","0.71073","MoKα","","0.071","0.055","","","0.16","0.18","","","","","","1.1","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2208603","11.2089","0.0002","15.3117","0.0003","17.2043","0.0004","79.6017","0.0012","72.0928","0.0011","80.9992","0.0016","2747.42","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","(pyridine)[5,10,15-tris(4-cyanophenyl)-20-(2-quinolyl)porphyrinato]zinc(II)‒ nitrobenzene‒dimethylforrmamide (1/1/1)","","- C64 H43 N11 O3 Zn -","- C61 H36 N10 O2 Zn -","- C122 H72 N20 O4 Zn2 -","2","1","HB2017","Sankar Muniappan; Sophia Liptsman; Israel Goldberg","A nitrobenzene and dimethylformamide clathrate of (pyridine)[5,10,15-tris(4-cyanophenyl)-20-(2-quinolyl)porphyrinato]zinc(II)","Acta Crystallographica Section E","2006","62","4","m753","m756","10.1107/S1600536806008026","","","0.71073","MoKα","","0.0749","0.0555","","","0.1452","0.1536","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208604","10.705","0.002","13.333","0.003","14.36","0.003","68.892","0.003","78.297","0.003","80.285","0.003","1862","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Octabutyl-1κ^2^C,2κ^2^C,3κ^2^C,4κ^2^C-di-μ~2~-3,5-dinitrobenzoato- 1:2κ^2^O:O';3:4κ^2^O:O'-bis(3,5-dinitrobenzoato)-1κO,4κO-di-μ~3~-oxo- 1:2:3κ^3^O:O:O;2:3:4κ^3^O:O:O-tetratin(IV)","","- C60 H84 N8 O26 Sn4 -","- C60 H84 N8 O26 Sn4 -","- C60 H84 N8 O26 Sn4 -","1","0.5","HB2018","Fa-Hui Li; Han-Dong Yin; Zhong-Jun Gao; Da-Qi Wang","Octabutyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-di-μ~2~-3,5-dinitrobenzoato-1:2κ^2^<i>O</i>:<i>O</i>';3:4κ^2^<i>O</i>:<i>O</i>'-bis(3,5-dinitrobenzoato)-1κ<i>O</i>,4κ<i>O</i>-di-μ~3~-oxo-1:2:3κ^3^<i>O</i>:<i>O</i>:<i>O</i>;2:3:4κ^3^<i>O</i>:<i>O</i>:<i>O</i>-tetratin(IV)","Acta Crystallographica Section E","2006","62","4","m788","m790","10.1107/S1600536806008567","","","0.71073","MoKα","","0.0802","0.0481","","","0.12","0.1486","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208605","16.047","0.002","16.047","0.002","11.3561","0.0013","90","","90","","120","","2532.5","0.5","250","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","hexaaquairon(III) tris(perchlorate) trihydrate","","- Cl3 Fe H18 O21 -","- Cl3 Fe H18 O21 -","- Cl18 Fe6 H108 O126 -","6","0.166667","HB2019","Andreas Fischer","Hexaaquairon(III) perchlorate trihydrate","Acta Crystallographica Section E","2006","62","4","i94","i95","10.1107/S1600536806008555","","","0.71073","MoKα","","0.055","0.046","","","0.107","0.114","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208606","13.064","0.003","27.434","0.006","15.069","0.004","90","","105.138","0.004","90","","5213","2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1H-benzimidazole-κN^3^)bis(4-hydroxybenzoato-κO)zinc(II) 0.25-hydrate","","- C28 H22.5 N4 O6.25 Zn -","- C28 H22.5 N4 O6.25 Zn -","- C224 H180 N32 O50 Zn8 -","8","1","HB2022","Yan Zheng; Qian Yang; Duan-Jun Xu","Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis(4-hydroxybenzoato-κ<i>O</i>)zinc(II) 0.25-hydrate","Acta Crystallographica Section E","2006","62","4","m813","m815","10.1107/S160053680600955X","","","0.71073","MoKα","","0.073","0.038","","","0.08","0.098","","","","","","1.024","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2208607","9.5651","0.0012","11.9457","0.0016","16.4284","0.0018","68.873","0.004","80.939","0.005","73.061","0.005","1672.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","trans-Carbonylchlorobis(benzyldiphenylphosphine)rhodium(I)","","- C39 H34 Cl O P2 Rh -","- C39 H34 Cl O P2 Rh -","- C78 H68 Cl2 O2 P4 Rh2 -","2","1","HG2009","Meijboom, Reinout; Muller, Alfred; Roodt, Andreas","<i>trans</i>-Bis(benzyldiphenylphosphine)carbonylchlororhodium(I)","Acta Crystallographica Section E","2006","62","4","m682","m684","10.1107/S1600536806006076","","","0.71073","MoKα","","","0.0227","","","","0.0574","","","","","","1.03","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208608","8.427","0.005","31.628","0.019","5.292","0.003","90","","90","","90","","1410.5","1.4","290","2","290","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(4-methoxyphenyl)thiourea","1,3-Bis(4-methoxyphenyl)thiourea","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","0.5","HG2010","Shashidhar; Vijay Thiruvenkatam; S. A. Shivashankar; M. B. Halli; T. N. Guru Row","1,3-Bis(4-methoxyphenyl)thiourea","Acta Crystallographica Section E","2006","62","4","o1518","o1519","10.1107/S1600536806009433","","","0.71073","MoKα","","0.0594","0.0536","","","0.124","0.1272","","","","","","1.206","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208609","7.0872","0.0008","12.8239","0.0013","16.527","0.002","90","","90.303","0.009","90","","1502","0.3","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine","","- C7 H8 N4 -","- C7 H8 N4 -","- C56 H64 N32 -","8","2","HG2011","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","5,7-Dimethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2006","62","4","o1310","o1311","10.1107/S1600536806008166","","","0.71073","MoKα","","0.0951","0.0615","","","0.1644","0.1861","","","","","","1.046","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208610","17.1925","0.0016","17.1925","0.0016","13.7715","0.0019","90","","90","","90","","4070.6","0.8","294","2","294","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","N-(3,5-di-tert-butyl-4-hydroxybenzyl)phthalimide","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C184 H216 N8 O24 -","8","1","HG2012","Xin, Chun-Wei; Li, Jiang-Sheng; Guo, Zhi-Xiong; Chen, Li-Gong","<i>N</i>-(3,5-Di-<i>tert</i>-butyl-4-hydroxybenzyl)phthalimide","Acta Crystallographica Section E","2006","62","4","o1273","o1275","10.1107/S1600536806007367","","","0.71073","MoKα","","0.0769","0.0378","","","0.0833","0.1056","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208611","6.9671","0.0005","8.6567","0.0007","8.8036","0.0007","69.342","0.001","79.171","0.001","69.886","0.001","465.18","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(Butane-1,4-diyl)dibenzimidazolium dichloride dihydrate","","- C18 H24 Cl2 N4 O2 -","- C18 H24 Cl2 N4 O2 -","- C18 H24 Cl2 N4 O2 -","1","0.5","HG2013","Liliana Dobrzańska; Gareth O. Lloyd","2,2'-(Butane-1,4-diyl)dibenzimidazolium dichloride dihydrate","Acta Crystallographica Section E","2006","62","4","o1205","o1207","10.1107/S1600536806007045","","","0.71073","MoKα","","0.036","0.0329","","","0.0856","0.0872","","","","","","1.067","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208612","10.196","0.005","10.71","0.006","13.59","0.007","82.447","0.012","84.181","0.012","84.62","0.013","1458.7","1.3","292","3","292","3","","","","","","","","7","P -1","-P 1","2","","catena-Poly[[[μ-pyridine-2-carbaldehyde azine-k^4^N,N':N'',N'''-bis[(triphenylphosphine-κP)copper(I)]]-μ- 1,2-bis(4-pyridyl)ethene-κ^2^N:N'] bis(tetrafluoroborate)]","","- C60 H50 B2 Cu2 F8 N6 P2 -","- C60 H50 B2 Cu2 F8 N6 P2 -","- C60 H50 B2 Cu2 F8 N6 P2 -","1","0.5","HG2014","Juan Mo; Heng-Yu Qian; Xiang-Dang Du; Wen Chen","<i>catena</i>-Poly[[[μ-pyridine-2-carbaldehyde azine-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>'''-bis[(triphenylphosphine-κ<i>P</i>)copper(I)]]-μ-1,2-bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>'] bis(tetrafluoroborate)]","Acta Crystallographica Section E","2006","62","4","m726","m727","10.1107/S160053680600818X","","","0.71073","MoKα","","0.1371","0.0663","","","0.1732","0.216","","","","","","0.958","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208613","26.947","0.002","26.947","0.002","30.741","0.002","90","","90","","120","","19332","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","diphenylbis(triphenylsilyl)silane","","- C48 H40 Si3 -","- C48 H40 Si3 -","- C864 H720 Si54 -","18","1","HG2016","Nordschild, Simon; Auner, Norbert; Bolte, Michael","A trigonal polymorph of diphenylbis(triphenylsilyl)silane","Acta Crystallographica Section E","2006","62","4","o1426","o1427","10.1107/S1600536806008038","","","0.71073","MoKα","","0.2514","0.1054","","","0.2349","0.3101","","","","","","0.895","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208614","21.696","0.004","15.158","0.003","8.9959","0.0018","90","","107.16","0.03","90","","2826.8","1.1","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,1'-(Butane-1,4-diyl)bis(1H-benzimidazol-3-ium) diiodo(pyridine-2,6-dicarboxylato-κ^3^O,N,O')mercury(II)","","- C25 H23 Hg I2 N5 O4 -","- C25 H23 Hg I2 N5 O4 -","- C100 H92 Hg4 I8 N20 O16 -","4","0.5","HG2017","Bao, Tong-Hua; Hou, Zhen-Yu","1,1'-(Butane-1,4-diyl)bis(1<i>H</i>-benzimidazol-3-ium) diiodo(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')mercurate(II)","Acta Crystallographica Section E","2006","62","4","m801","m803","10.1107/S1600536806008828","","","0.71073","MoKα","","0.0699","0.0531","","","0.1253","0.129","","","","","","1.031","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208615","7.9708","0.0009","5.5031","0.0006","16.9923","0.0018","90","","98.291","0.002","90","","737.56","0.14","366","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Bromo-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","","- C17 H15 Br O S -","- C17 H15 Br O S -","- C34 H30 Br2 O2 S2 -","2","1","HG2019","Ray J. Butcher; Yathirajan, H. S.; Anilkumar, H. G.; Sarojini, B. K.; Narayana, B.","2-Bromo-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1659","o1661","10.1107/S1600536806011160","","","0.71073","MoKα","","0.0254","0.0238","","","0.0541","0.0545","","","","","","0.953","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208616","29.215","0.005","7.856","0.005","17.051","0.005","90","","90","","90","","3913","3","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","<i>trans</i>-Dichlorobis[tri(4-fluorophenyl)phosphine]palladium(II) toluene solvate","","- C43 H32 Cl2 F6 P2 Pd -","- C43 H32 Cl2 F6 P2 Pd -","- C172 H128 Cl8 F24 P8 Pd4 -","4","0.5","HG2024","Meijboom, Reinout; Muller, Alfred; Roodt, Andreas; Janse van Rensburg, J. Marthinus","<i>trans</i>-Dichlorobis[tris(4-fluorophenyl)phosphine]palladium(II) toluene solvate","Acta Crystallographica Section E","2006","62","4","m894","m896","10.1107/S1600536806010579","","","0.71073","MoKα","","","0.0521","","","","0.15","","","","","","1.208","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208617","9.206","0.0002","10.2804","0.0002","10.802","0.0004","99.347","0.002","96.505","0.002","113.143","0.001","909.72","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H34 Cl4 P2 Pd2 -","- C38 H34 Cl4 P2 Pd2 -","- C38 H34 Cl4 P2 Pd2 -","1","0.5","HG2025","Meijboom, Reinout; Muller, Alfred; Roodt, Andreas","Di-μ~2~-chloro-bis[(benzyldiphenylphosphine)chloropalladium(II)]","Acta Crystallographica Section E","2006","62","4","m897","m899","10.1107/S1600536806010580","","","0.71073","MoKα","","","0.0254","","","","0.064","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208618","9.7497","0.0005","10.156","0.0005","10.2458","0.0005","90","","96.521","0.001","90","","1007.95","0.09","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[bis(1,3-propylenediamine)zinc(II)]-μ-naphthalene-2,6- dicarboxylato-κ^2^O^2^:O^6^]","","- C18 H26 N4 O4 Zn -","- C18 H26 N4 O4 Zn -","- C36 H52 N8 O8 Zn2 -","2","0.5","HG6302","Rong Yu; Ya-Qi Jiang; Zhao-Xiong Xie","<i>catena</i>-Poly[[bis(1,3-propylenediamine)zinc(II)]-μ-naphthalene-2,6-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^6^]","Acta Crystallographica Section E","2006","62","4","m736","m737","10.1107/S1600536806008117","","","0.71073","MoKα","","0.0433","0.0415","","","0.1035","0.1047","","","","","","1.142","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208619","14.6723","0.0007","10.692","0.0005","12.4224","0.0005","90","","96.82","0.001","90","","1934.99","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-diethyl-5-nitropyridine-2-amine","","- C9 H13 N3 O2 -","- C9 H13 N3 O2 -","- C72 H104 N24 O16 -","8","2","HK2006","Yufit, Dmitry S.; Turner, Michael J.; Howard, Judith A. K.","<i>N</i>,<i>N</i>-Diethyl-5-nitropyridin-2-amine","Acta Crystallographica Section E","2006","62","4","o1237","o1239","10.1107/S160053680600729X","","","0.71073","Mo-Kα","","0.0677","0.0401","","","0.1029","0.1122","","","","","","0.969","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208620","9.116","0.002","12.05","0.003","11.113","0.003","90","","110.71","0.03","90","","1141.9","0.5","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-(2-Acetylpyridine-κN 2-furylhydrazonato-κ^2^N^1^,O)dichlorophenyltin(IV) dichloromethane solvate","","- C19 H17 Cl4 N3 O2 Sn -","- C18.999 H16.998 Cl3.998 N3 O2 Sn -","- C37.998 H33.996 Cl7.996 N6 O4 Sn2 -","2","1","HK2009","Sousa, Gerimário F. de; Hernández-Ortega, Simón; Jancik, Vojtech; Valdés-Martínez, Jesús","<i>trans</i>-(2-Acetylpyridine-κ<i>N</i> 2-furylhydrazonato-κ^2^<i>N</i>^1^,<i>O</i>)dichlorophenyltin(IV) dichloromethane solvate","Acta Crystallographica Section E","2006","62","4","m819","m821","10.1107/S1600536806009457","","","0.71073","MoKα","","0.0401","0.0367","","","0.0772","0.0786","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2208621","7.2884","0.0003","15.258","0.0008","21.5709","0.0009","90","","101.001","0.004","90","","2354.74","0.19","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro(2,5-diphenyl-3,4-di-2-pyridylcyclopenta-2,4-dienone)cobalt(II)","","- C27 H18 Cl2 Co N2 O -","- C27 H18 Cl2 Co N2 O -","- C108 H72 Cl8 Co4 N8 O4 -","4","1","HK2011","Aliakbar Dehno Khalaji; Mehdi Amirnasr; Jean-Claude Daran","Dichloro(2,5-diphenyl-3,4-di-2-pyridylcyclopenta-2,4-dienone)cobalt(II)","Acta Crystallographica Section E","2006","62","4","m687","m689","10.1107/S1600536806007410","","","0.71073","MoKα","","0.0529","0.038","","","0.1001","0.1063","","","","","","1.113","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208622","7.5698","0.0009","16.7052","0.0019","18.017","0.002","90","","101.813","0.002","90","","2230.1","0.4","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Zn(ba)2(phen)","Dibenzoato(1,10-phenanthroline)Zinc(II)","","- C26 H18 N2 O4 Zn -","- C26 H18 N2 O4 Zn -","- C104 H72 N8 O16 Zn4 -","4","1","HK2012","Xu-Cheng Fu; Xiao-Yan Wang; Ming-Tian Li; Cheng-Gang Wang","Dibenzoato(1,10-phenanthroline)zinc(II)","Acta Crystallographica Section E","2006","62","4","m773","m775","10.1107/S160053680600907X","","","0.71073","MoKα","","0.0816","0.054","","","0.1329","0.1455","","","","","","1.121","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208623","9.804","0.002","11.079","0.002","12.251","0.003","102.81","0.03","93.23","0.03","92.81","0.03","1292.9","0.5","293.15","0.02","292","2","","","","","","","","3","P -1","-P 1","2","4,6-dibenzoylisophthalic acid acetone solvate","4,6-dibenzoylisophthalic acid acetone disolvate","","- C28 H26 O8 -","- C28 H26 O8 -","- C56 H52 O16 -","2","1","HK2013","Shan Liu; Jin-Xiu Ji; Dan-Dan Wang; Hong-Jun Zhu","4,6-Dibenzoylisophthalic acid acetone disolvate","Acta Crystallographica Section E","2006","62","4","o1387","o1389","10.1107/S1600536806008671","","","0.71073","MoKα","","0.154","0.0783","","","0.1536","0.1881","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208624","10.754","0.003","10.073","0.002","15.911","0.004","90","","106.308","0.004","90","","1654.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[(2,2'-bipyridine-κ^2^N:N')cadmium(II)]-μ~3~-5-hydroxyisophthalato- κ^4^O,O':O'':O''']","","- C18 H12 Cd N2 O5 -","- C18 H12 Cd N2 O5 -","- C72 H48 Cd4 N8 O20 -","4","1","HK2014","Zhuo, Xin; Wang, Zuo-Wei; Li, Yi-Zhi; Zheng, He-Gen","Poly[[(2,2'-bipyridine-κ^2^<i>N</i>:<i>N</i>')cadmium(II)]-μ~3~-5-hydroxyisophthalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''']","Acta Crystallographica Section E","2006","62","4","m785","m787","10.1107/S1600536806009032","","","0.71073","MoKα","","0.0308","0.0282","","","0.0733","0.075","","","","","","0.996","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208625","7.2687","0.0014","18.938","0.004","10.1216","0.0019","90","","109.756","0.004","90","","1311.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-benzoyl-3-(6-methylpyridin-2-yl)thiourea","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C56 H52 N12 O4 S4 -","4","1","HK2016","Yusof, M. Sukeri M.; Soh, S. Kamilah C.; Ngah, Nurziana; Yamin, Bohari M.","1-Benzoyl-3-(6-methylpyridin-2-yl)thiourea","Acta Crystallographica Section E","2006","62","4","o1446","o1448","10.1107/S1600536806009366","","","0.71073","MoKα","","0.062","0.046","","","0.114","0.123","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208626","12.281","0.003","13.945","0.003","23.527","0.005","90","","90","","90","","4029.2","1.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,6-di-tert-butyl-4-[(4-methoxyphenylimino)methyl]phenol","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C176 H232 N8 O16 -","8","1","HK2017","Xin, Chun-Wei; Zeng, Tao; Li, Jiang-Sheng","2,6-Di-<i>tert</i>-butyl-4-[(4-methoxyphenylimino)methyl]phenol","Acta Crystallographica Section E","2006","62","4","o1560","o1561","10.1107/S1600536806010130","","","0.71073","MoKα","","0.1173","0.0445","","","0.0996","0.1353","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208627","7.626","0.003","7.833","0.003","13.934","0.006","91.501","0.007","92.925","0.007","115.968","0.006","746.2","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","4-Bromobenzaldehyde O-(2-ethoxybenzyl)oxime","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C32 H32 Br2 N2 O4 -","2","1","HK2019","Er-Bing Yang; Lei Wang; Zheng-Ming Li; Hai-Bin Song","4-Bromobenzaldehyde <i>O</i>-(2-ethoxybenzyl)oxime","Acta Crystallographica Section E","2006","62","4","o1657","o1658","10.1107/S1600536806011238","","","0.71073","MoKα","","0.0515","0.0344","","","0.079","0.0875","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208628","8.9793","0.0018","22.487","0.005","7.7187","0.0015","90","","95.62","0.03","90","","1551","0.6","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquamaleato(2,2^'^-bipyridine)copper(II) dihydrate","","- C14 H16 Cu N2 O7 -","- C14 H16 Cu N2 O7 -","- C56 H64 Cu4 N8 O28 -","4","1","HK2020","Li, Ming-Tian; Wang, Cheng-Gang","Aqua(2,2'-bipyridine)maleatocopper(II) dihydrate","Acta Crystallographica Section E","2006","62","4","m916","m918","10.1107/S1600536806011020","","","0.71073","MoKα","","0.0944","0.0524","","","0.1059","0.1228","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208629","7.0405","0.0007","7.4902","0.0007","15.2806","0.0015","90","","90","","90","","805.82","0.14","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Isonipecotate chloride","","- C6 H12 Cl N O2 -","- C6 H12 Cl N O2 -","- C24 H48 Cl4 N4 O8 -","4","1","HK6075","Zhi-Cheng Ma; Xin-Hua Li","Isonipecotate chloride","Acta Crystallographica Section E","2006","62","4","o1250","o1251","10.1107/S1600536806007252","","","0.71073","MoKα","","0.047","0.0459","","","0.122","0.1227","","","","","","1.204","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208630","11.2684","0.0013","7.9014","0.0009","11.1345","0.0012","90","","114.284","0.002","90","","903.65","0.18","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Chloro-4-fluorophenyl methanesulfonate","","- C7 H6 Cl F O3 S -","- C7 H6 Cl F O3 S -","- C28 H24 Cl4 F4 O12 S4 -","4","1","IS2006","Chao-Nan Chen","2-Chloro-4-fluorophenyl methanesulfonate","Acta Crystallographica Section E","2006","62","4","o1231","o1232","10.1107/S1600536806007227","","","0.71073","MoKα","","0.078","0.0484","","","0.1118","0.1218","","","","","","1.038","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208631","5.8562","0.0007","9.1651","0.0012","31.907","0.004","90","","90.332","0.003","90","","1712.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-Bis(salicylideneamino)-1H-1,2,4-triazole methanol solvate","","- C17 H17 N5 O3 -","- C17 H17 N5 O3 -","- C68 H68 N20 O12 -","4","1","IS2007","Cheng, Ru-Mei; Li, Yi-Zhi; Ou, Sheng-Ju; Chen, Xue-Tai","3,5-Bis(salicylideneamino)-1<i>H</i>-1,2,4-triazole methanol solvate","Acta Crystallographica Section E","2006","62","4","o1424","o1425","10.1107/S1600536806008853","","","0.71073","MoKα","","0.1325","0.0655","","","0.1437","0.1585","","","","","","0.964","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208632","29","0.03","7.776","0.007","22.34","0.02","90","","122.753","0.016","90","","4237","7","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 2,6-bis(4,6-dimethoxypyrimidin-2-yloxy)benzoate","","- C20 H20 N4 O8 -","- C20 H20 N4 O8 -","- C160 H160 N32 O64 -","8","1","IS2008","Yuan-Xiang Li; Yan-Ping Luo","Methyl 2,6-bis(4,6-dimethoxypyrimidin-2-yloxy)benzoate","Acta Crystallographica Section E","2006","62","4","o1323","o1325","10.1107/S1600536806008178","","","0.71073","MoKα","","0.0927","0.0499","","","0.1093","0.1287","","","","","","0.99","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208633","9.608","0.0014","10.0047","0.0015","16.791","0.003","90","","90","","90","","1614","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-(1H-Indol-3-ylmethylene)isonicotinohydrazide ethanol solvate","","- C17 H18 N4 O2 -","- C17 H18 N4 O2 -","- C68 H72 N16 O8 -","4","1","IS2009","Jing, Zuo-Liang; Cheng, Wen-Wen; Chen, Xin; Yu Ming","2'-(1<i>H</i>-Indol-3-ylmethylene)isonicotinohydrazide ethanol solvate","Acta Crystallographica Section E","2006","62","4","o1360","o1361","10.1107/S1600536806008361","","","0.71073","MoKα","","0.0368","0.0343","","","0.099","0.1013","","","","","","1.063","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208634","14.4774","0.0012","7.7044","0.0007","16.6859","0.0015","90","","97.754","0.002","90","","1844.1","0.3","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-Methylphenyl)-2-(1-pyridyl)-3H-benzo[4,5]furo[3,2-d]pyrimidin-4-one","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C88 H84 N12 O8 -","4","1","IS2011","Yang-Gen Hu; Ai-Hua Zheng; Gui-Hua Li","3-(4-Methylphenyl)-2-(1-pyridyl)-3<i>H</i>-benzo[4,5]furo[3,2-<i>d</i>]pyrimidin-4-one","Acta Crystallographica Section E","2006","62","4","o1457","o1459","10.1107/S1600536806009238","","","0.71073","MoKα","","0.0582","0.0434","","","0.1099","0.1166","","","","","","0.977","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208635","4.973","0.001","17.093","0.003","8.7485","0.0017","90","","97.424","0.003","90","","737.4","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Fluorouracil-1-acetic acid","","- C6 H5 F N2 O4 -","- C6 H5 F N2 O4 -","- C24 H20 F4 N8 O16 -","4","1","IS2013","Qu, Jian-Qiang; Qu, Ling; Jia, Xiao-Fei","5-Fluorouracil-1-acetic acid","Acta Crystallographica Section E","2006","62","4","o1504","o1506","10.1107/S1600536806009676","","","0.71073","MoKα","","0.0601","0.0407","","","0.1071","0.121","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208636","8.7321","0.0008","18.3099","0.0016","9.2048","0.0008","90","","99.448","0.002","90","","1451.7","0.2","272","2","272","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 F O6 P -","- C12 H16 F O6 P -","- C48 H64 F4 O24 P4 -","4","1","IS2014","Yan-Jun Li; Hong-Wu He","Dimethyl {1-[2-(2-fluorophenoxy)acetoxy]ethyl}phosphonate","Acta Crystallographica Section E","2006","62","4","o1593","o1594","10.1107/S1600536806010737","","","0.71073","MoKα","","0.0445","0.0388","","","0.1059","0.1092","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208637","17.705","0.0007","10.5385","0.0004","15.701","0.0004","90","","115.557","0.0019","90","","2642.92","0.17","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N,N-Diethyldithiocarbamato-κ^2^S,S')bis(1,10-phenanthroline)sodium(I)","","- C29 H26 N5 Na S2 -","- C29 H26 N5 Na S2 -","- C116 H104 N20 Na4 S8 -","4","0.5","IS2015","Mirkovic, Tihana; Nair, Sreekumari P.; Scholes, Gregory D.; Lough, Alan J.","(<i>N</i>,<i>N</i>-Diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')bis(1,10-phenanthroline)sodium(I)","Acta Crystallographica Section E","2006","62","4","m833","m835","10.1107/S1600536806009445","","","0.71073","MoKα","","0.0784","0.0446","","","0.1011","0.1201","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208638","17.1836","0.0015","8.8408","0.0008","11.6536","0.0016","90","","93.342","0.009","90","","1767.4","0.3","295","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,5-Dimethyl-3-thienyl)-3,3,4,4,5,5-hexafluoro-2-(5-formyl-2-methyl- 3-thienyl)cyclopent-1-ene","","- C17 H12 F6 O S2 -","- C17 H12 F6 O S2 -","- C68 H48 F24 O4 S8 -","4","1","IS6183","Pu, Shou-Zhi; Luo, Fu-Sheng; Wang, Ru-Ji; Yang, Tian-She","1-(2,5-Dimethyl-3-thienyl)-3,3,4,4,5,5-hexafluoro-2-(5-formyl-2-methyl-3-thienyl)cyclopent-1-ene: a new photochromic diarylethene compound","Acta Crystallographica Section E","2006","62","4","o1194","o1196","10.1107/S160053680600674X","","","0.71073","MoKα","","0.1365","0.0746","","","0.1337","0.1619","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208639","9.809","0.001","9.2892","0.001","14.1428","0.0015","90","","95.909","0.002","90","","1281.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis(imidazoline) pyridine","2,6-bis[(4S)-isopropyl-1-phenyl-4,5-dihydro-1H-imidazol-2-yl]pyridine","","- C29 H33 N5 -","- C29 H33 N5 -","- C58 H66 N10 -","2","1","IS6184","Ma, Kuoyan; Cheng, Liang; Gau, Han-Mou; You, Jingsong","A new chiral ligand: 2,6-bis[4(<i>S</i>)-isopropyl-1-phenyl-4,5-dihydro-1<i>H</i>-imidazol-2-yl]pyridine","Acta Crystallographica Section E","2006","62","4","o1595","o1597","10.1107/S1600536806009846","","","0.71073","MoKα","","0.0464","0.0348","","","0.087","0.0955","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208640","7.3817","0.0015","7.8831","0.0016","18.073","0.004","89.37","0.03","89.49","0.03","63.12","0.03","938","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diimidazolium Neodymium Pentakis(nitrate(V)) Hydrate","","- C6 H12 N9 Nd O16 -","- C6 H12 N9 Nd O16 -","- C12 H24 N18 Nd2 O32 -","2","1","JH2003","Zhang, Hui; Wu, Yanmei; Fang, Liang","Diimidazolium aquapentakis(nitrato)neodymate(III)","Acta Crystallographica Section E","2006","62","4","m854","m856","10.1107/S1600536806010373","","","0.71073","MoKα","","0.0173","0.0166","","","0.0417","0.042","","","","","","1.046","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208641","12.886","0.003","13.896","0.003","7.68","0.002","90","","95.905","0.004","90","","1367.9","0.6","297","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","intricatinol","2,3-dihydro-6,7-dihydroxy-3-[(4-methoxyphenyl)methylene]-4H-1-benzopyran-4-one","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","JH2004","Suchada Chantrapromma; Sompong Boonsri; Hoong-Kun Fun; Shazia Anjum; Akkharawit Kanjana-opas","2,3-Dihydro-7,8-dihydroxy-3-[(4-methoxyphenyl)methylene]-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section E","2006","62","4","o1254","o1256","10.1107/S1600536806007124","","","0.71073","MoKα","","0.049","0.0419","","","0.104","0.1096","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208642","9.818","0.01","7.89","0.02","14.8","0.03","90","","102.23","0.08","90","","1120","4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 8-methyl-4-methylene-2-oxo-3,8-diazabicyclo[3.2.1]octane-6-exo-carboxylate","","- C11 H16 N2 O3 -","- C11 H16 N2 O3 -","- C44 H64 N8 O12 -","4","1","JH2006","Madeleine Helliwell; You Yun; John A. Joule","The dipolar cycloaddition of methyl acrylate to 1,5,6-trimethyl-3-oxidopyrazinium","Acta Crystallographica Section E","2006","62","4","o1293","o1294","10.1107/S1600536806007501","","","0.71069","MoKα","","0.0384","0.0313","","","0.0847","0.089","","","","","","1.029","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208643","16.2952","0.0014","11.5678","0.001","14.6687","0.0012","90","","102.23","0.001","90","","2702.3","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2,6-dichlorophenyl)-3-hydroxy-1-phenylpropan-1-one","","- C15 H12 Cl2 O2 -","- C15 H12 Cl2 O2 -","- C120 H96 Cl16 O16 -","8","2","JH6037","Xin-Xiang Luo; Zi-Xing Shan","3-(2,6-Dichlorophenyl)-3-hydroxy-1-phenylpropan-1-one","Acta Crystallographica Section E","2006","62","4","o1197","o1198","10.1107/S1600536806006520","","","0.71073","MoKα","","0.0697","0.0486","","","0.1233","0.1396","","","","","","1.048","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208644","17.182","0.003","6.66","0.001","14.73","0.003","90","","90","","90","","1685.6","0.5","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N^2^-benzoyl-N^1^-(4-methylphenyl)-N^3^-pyridinioguanidin-3-ide","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C80 H72 N16 O4 -","4","1","KP2002","Cunha, Silvio; Vencato, Ivo; Rodrigues Jr, Manoel T.; Macedo Jr, Fernando C. de; Sabino, Jose R.","Polyfunctionalized pyridinium <i>N</i>-benzoylguanidine: <i>N</i>^2^-benzoyl-<i>N</i>^1^-(4-methylphenyl)-<i>N</i>^3^-pyridinioguanidin-3-ide","Acta Crystallographica Section E","2006","62","4","o1408","o1410","10.1107/S1600536806009111","","","1.5418","CuKα","","0.0538","0.0463","","","0.1154","0.1542","","","","","","1.197","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208645","7.8597","0.0008","13.5714","0.0014","13.6482","0.0014","110.596","0.008","98.999","0.009","100.074","0.008","1303.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-Hydroxy-2,5-bis(triisopropylsilyl)silole","","- C22 H46 O Si3 -","- C22 H45 O Si3 -","- C44 H90 O2 Si6 -","2","1","KP2004","Bolte, Michael; Urschel, Birgit; Müller, Thomas","1-Hydroxy-2,5-bis(triisopropylsilyl)silole","Acta Crystallographica Section E","2006","62","4","o1235","o1236","10.1107/S1600536806007112","","","0.71073","MoKα","","0.0619","0.0534","","","0.1407","0.1466","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208646","10.794","0.001","7.1516","0.0006","12.417","0.001","90","","106.15","0.01","90","","920.7","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","nosic acid potassium salt monohydrate","Potassium 4-nitrophenylsulfonate monohydrate","","- C6 H6 K N O6 S -","- C6 H6 K N O6 S -","- C24 H24 K4 N4 O24 S4 -","4","1","KP2006","Blatch, Alexandrea J.; Howard, Judith A. K.; Probert, Michael R.; Smethurst, Christian A.; Whiting, Andrew","Potassium 4-nitrophenylsulfonate monohydrate","Acta Crystallographica Section E","2006","62","4","m741","m743","10.1107/S1600536806007835","","","0.71073","MoKα","","0.0662","0.0419","","","0.087","0.0952","","","","","","1.048","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208647","14.7205","0.0004","9.4071","0.0003","13.5925","0.0005","90","","110.721","0.0017","90","","1760.5","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Tetrakis(3-chlorophenyl)porphyrinato]zinc(II)","","- C44 H24 Cl4 N4 Zn -","- C44 H24 Cl4 N4 Zn -","- C88 H48 Cl8 N8 Zn2 -","2","0.5","KP2008","Sophia Lipstman; Sankar Muniappan; Israel Goldberg","[Tetrakis(3-chlorophenyl)porphyrinato]zinc(II)","Acta Crystallographica Section E","2006","62","4","m782","m784","10.1107/S1600536806008543","","","0.71073","MoKα","","0.0928","0.0606","","","0.1537","0.1706","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208648","11.0359","0.0013","7.012","0.0012","16.657","0.002","90","","90","","90","","1289","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1-Chloro-3,4-Dimethyl-1-phenyl-3-phospholenium chloride","","- C12 H15 Cl2 P -","- C12 H15 Cl2 P -","- C48 H60 Cl8 P4 -","4","0.5","KP2009","Scheibitz, Matthias; Lerner, Hans-Wolfram; Bolte, Michael","1-Chloro-3,4-dimethyl-1-phenyl-3-phospholenium chloride","Acta Crystallographica Section E","2006","62","4","o1474","o1475","10.1107/S1600536806009160","","","0.71073","MoKα","","0.055","0.0323","","","0.0612","0.0659","","","","","","0.909","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208649","7.6277","0.0009","11.9718","0.0009","17.501","0.0013","90","","90","","90","","1598.1","0.3","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3,4,6-hydroquinone dihydrate","2,3,5,6-tetrafluoro-1,4-dihydroxybenzene dihydrate","","- C6 H6 F4 O4 -","- C6 H6 F4 O4 -","- C48 H48 F32 O32 -","8","1","KP2013","Rusak, Paweł; Gdaniec, Maria","2,3,5,6-Tetrafluorohydroquinone dihydrate","Acta Crystallographica Section E","2006","62","4","o1650","o1651","10.1107/S1600536806011172","","","0.71073","MoKα","","0.0492","0.0321","","","0.072","0.0802","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208650","10.2462","0.001","9.4543","0.0012","16.112","0.0017","90","","90","","90","","1560.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(2-tert-Butylphenoxy)phthalonitrile","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","KP6082","Ustabaş, Reşat; Çoruh, Ufuk; Akdemir, Nesuhi; Ağar, Erbil; Yavuz, Metin","4-(2-<i>tert</i>-Butylphenoxy)phthalonitrile","Acta Crystallographica Section E","2006","62","4","o1216","o1217","10.1107/S1600536806007094","","","0.71073","MoKα","","0.0767","0.041","","","0.1084","0.1163","","","","","","0.903","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208651","10.4213","0.0016","22.729","0.004","6.3769","0.001","90","","90","","90","","1510.5","0.4","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(1R,2R)-(+)-4,4'-Di-tert-butyl-2,2'-[1,2-diphenylethane-1,2- diylbis(nitrilomethylidyne)]diphenol","","- C36 H40 N2 O2 -","- C36 H40 N2 O2 -","- C72 H80 N4 O4 -","2","0.5","KP6083","Korendovych, Ivan V.; Makhlynets, Olga V.; Buzak, Sara K.; Flook, Margaret; Kryatov, Sergey V.; Haas, Terry E.; Rybak-Akimova, Elena V.","(1<i>R</i>,2<i>R</i>)-(+)-4,4'-Di-<i>tert</i>-butyl-2,2'-[1,2-diphenylethane-1,2-diylbis(nitrilomethylidyne)]diphenol","Acta Crystallographica Section E","2006","62","4","o1240","o1242","10.1107/S1600536806007136","","","0.71073","MoKα","","0.141","0.0476","","","0.101","0.1263","","","","","","0.878","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208652","8.2731","0.0004","12.9178","0.0007","14.1746","0.0007","70.5","0.001","85.118","0.001","77.804","0.001","1395.55","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","1-Benzoyl-3-(2,6-dichlorophenyl)thiourea","","- C14 H10 Cl2 N2 O S -","- C14 H10 Cl2 N2 O S -","- C56 H40 Cl8 N8 O4 S4 -","4","2","LH2005","Rauf, M. Khawar; Badshah, Amin; Flörke, Ulrich; Saeed, Aamer; Saeed, M. Adeel","1-Benzoyl-3-(2,6-dichlorophenyl)thiourea","Acta Crystallographica Section E","2006","62","4","o1264","o1265","10.1107/S1600536806007343","","","0.71073","MoKα","","0.0307","0.0284","","","0.0764","0.078","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208653","12.6411","0.0005","12.6411","0.0005","12.6411","0.0005","90","","90","","90","","2020.02","0.14","298","2","298","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","N,N',N''-Tricyclohexylguanidinium chloride","","- C19 H36 Cl N3 -","- C19 H36 Cl N3 -","- C76 H144 Cl4 N12 -","4","0.333333","LH2007","Xiao-Qing Cai; Mao-Lin Hu","<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexylguanidinium chloride","Acta Crystallographica Section E","2006","62","4","o1260","o1261","10.1107/S1600536806007331","","","0.71073","MoKα","","0.0707","0.0668","","","0.1597","0.162","","","","","","1.292","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208654","26.0927","0.0005","8.1723","0.0001","24.0602","0.0006","90","","106.724","0.0008","90","","4913.52","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[1,2,3,5-tetramethyl-4-nitropyrazolium] dihydronium tris(4-methyl-3,5-dinitrobenzenesulfonate)","","- C35 H44 N12 O27 S3 -","- C35 H44 N12 O27 S3 -","- C140 H176 N48 O108 S12 -","4","1","LH2008","Janet M. S. Skakle; James L. Wardell","Bis(1,2,3,5-tetramethyl-4-nitropyrazolium) dihydronium tris(4-methyl-3,5-dinitrobenzenesulfonate) forms <i>C</i>(8) chains through O—H···O bonding <i>via</i> the dihydronium cation","Acta Crystallographica Section E","2006","62","4","o1402","o1404","10.1107/S1600536806008749","","","0.71073","MoKα","","0.074","0.0499","","","0.1303","0.1454","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208655","20.5099","0.0013","7.3281","0.0003","18.5344","0.0012","90","","100.437","0.005","90","","2739.6","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-(2-Chlorobenzoyl)-3-phenylthiourea","","- C14 H11 Cl N2 O S -","- C14 H11 Cl N2 O S -","- C112 H88 Cl8 N16 O8 S8 -","8","1","LH2009","Rauf, M. Khawar; Badshah, Amin; Saeed, Aamer; Bolte, Michael","1-(2-Chlorobenzoyl)-3-phenylthiourea","Acta Crystallographica Section E","2006","62","4","o1262","o1263","10.1107/S1600536806007355","","","0.71073","MoKα","","0.0396","0.0374","","","0.1041","0.106","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208656","10.969","0.002","7.208","0.002","25.269","0.003","90","","97.557","0.003","90","","1980.5","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl(2-oxido-1-naphthaldehyde isonicotinoylhydrazonato)tin(IV) methanol solvate","","- C20 H21 N3 O3 Sn -","- C20 H21 N3 O3 Sn -","- C80 H84 N12 O12 Sn4 -","4","1","LH2010","Shao-Wen Chen; Han-Dong Yin; Da-Qi Wang","Dimethyl(2-oxido-1-naphthaldehydeisonicotinoylhydrazonato)tin(IV) methanol solvate","Acta Crystallographica Section E","2006","62","4","m836","m837","10.1107/S1600536806009962","","","0.71073","MoKα","","0.0751","0.059","","","0.1526","0.1626","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208657","14.592","0.002","10.9764","0.0017","11.925","0.002","90","","101.209","0.003","90","","1873.6","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-di-tert-butyl-4-(phenyliminomethyl)phenol","","- C21 H27 N O -","- C21 H27 N O -","- C84 H108 N4 O4 -","4","1","LH2011","Yan, Xi-Long; Chen, Li-Gong; Zeng, Tao","2,6-Di-<i>tert</i>-butyl-4-(phenyliminomethyl)phenol","Acta Crystallographica Section E","2006","62","4","o1455","o1456","10.1107/S1600536806009202","","","0.71073","MoKα","","0.0982","0.0506","","","0.1299","0.1543","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208658","11.2395","0.001","10.0101","0.0009","12.9814","0.0012","90","","98.653","0.002","90","","1443.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Guanidinum diphenylphosphinate monohydrate","","- C13 H18 N3 O3 P -","- C13 H18 N3 O3 P -","- C52 H72 N12 O12 P4 -","4","1","LH2012","Najafpour, M. Mahdi; McKee, Vickie","Guanidinum diphenylphosphinate monohydrate","Acta Crystallographica Section E","2006","62","4","o1365","o1368","10.1107/S1600536806007860","","","0.71073","MoKα","","0.0441","0.0356","","","0.0883","0.0943","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208659","18.0846","0.001","16.9821","0.001","10.8354","0.001","90","","103.19","0.01","90","","3239.9","0.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5,6-dihydro-4H-1,3-selenazine","4-Hydroxy-4-methyl-6-phenyl-2-p-tolyl-5,6-dihydro-4H-1,3-selenazine","","- C18 H19 N O Se -","- C18 H19 N O Se -","- C144 H152 N8 O8 Se8 -","8","2","LH2013","Koketsu, Mamoru; Ebihara, Masahiro; Ishihara, Hideharu","4-Hydroxy-4-methyl-6-phenyl-2-<i>p</i>-tolyl-5,6-dihydro-4<i>H</i>-1,3-selenazine","Acta Crystallographica Section E","2006","62","4","o1347","o1349","10.1107/S1600536806007884","","","0.71073","MoKα","","0.0424","0.03","","","0.0632","0.0684","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208660","5.504","0.004","8.605","0.006","7.58","0.008","90","","103.67","0.04","90","","348.8","0.5","93","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Trimethylammonium perchlorate","","- C3 H10 Cl N O4 -","- C3 H10 Cl N O4 -","- C6 H20 Cl2 N2 O8 -","2","0.5","LH2014","Gotoh, Kazuma; Ishikawa, Rie; Ishida, Hiroyuki","Trimethylammonium perchlorate at 97 K","Acta Crystallographica Section E","2006","62","4","o1321","o1322","10.1107/S1600536806007987","","","0.71075","MoKα","","0.0256","0.0241","","","0.0614","0.0623","","","","","","1.132","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2208661","19.007","0.001","11.982","0.001","13.492","0.001","90","","103.708","0.001","90","","2985.2","0.4","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-nitrophenyl phosphate disodium hexahydrate","disodium 4-nitrophenyl phosphate hexahydrate","","- C6 H16 N Na2 O12 P -","- C6 H16 N Na2 O12 P -","- C48 H128 N8 Na16 O96 P8 -","8","2","LH2015","Matthew D. Zimmerman; Maksymilian Chruszcz; Marcin Cymborowski; Heping Zheng; Wladek Minor","Disodium 4-nitrophenylphosphate hexahydrate","Acta Crystallographica Section E","2006","62","4","m884","m886","10.1107/S160053680600941X","","","0.71074","MoKα","","0.0755","0.0479","","","0.1361","0.1464","","","","","","1.103","","","","has coordinates","183154","2020-10-21","18:00:00",""
"2208662","8.3501","0.0006","7.6684","0.0006","13.3162","0.001","90","","97.617","0.001","90","","845.14","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ammonium 4-chloropyridine-3-sulfonate","","- C5 H7 Cl N2 O3 S -","- C5 H7 Cl N2 O3 S -","- C20 H28 Cl4 N8 O12 S4 -","4","1","LH2016","Tie-Han Li; Xin-Biao Mao; Qing-Bao Song; Chun-An Ma","Ammonium 4-chloropyridine-3-sulfonate","Acta Crystallographica Section E","2006","62","4","o1488","o1489","10.1107/S1600536806009597","","","0.71073","MoKα","","0.0334","0.03","","","0.0819","0.0838","","","","","","1.072","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208663","7.1433","0.0007","6.8424","0.0007","13.7397","0.0014","90","","97.783","0.002","90","","665.37","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-chloropyridine-3-sulfonic acid","","- C5 H4 Cl N O3 S -","- C5 H4 Cl N O3 S -","- C20 H16 Cl4 N4 O12 S4 -","4","1","LH2017","Xin-Biao Mao; Tie-Han Li; Chun-An Ma; Qing-Bao Song","4-Chloropyridine-3-sulfonic acid","Acta Crystallographica Section E","2006","62","4","o1490","o1491","10.1107/S1600536806009585","","","0.71073","MoKα","","0.0487","0.0468","","","0.131","0.1328","","","","","","1.104","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208664","25.07","0.002","3.8928","0.0004","28.137","0.003","90","","93.326","0.002","90","","2741.3","0.5","120","1","120","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1-Benzoyl-3-(3,4-dichlorophenyl)thiourea","1-Benzoyl-3-(3,4-dichlorophenyl)thiourea","","- C14 H10 Cl2 N2 O S -","- C14 H10 Cl2 N2 O S -","- C112 H80 Cl16 N16 O8 S8 -","8","1","LH2018","Rauf, M. Khawar; Badshah, Amin; Flörke, Ulrich; Saeed, Aamer","1-Benzoyl-3-(3,4-dichlorophenyl)thiourea","Acta Crystallographica Section E","2006","62","4","o1380","o1381","10.1107/S1600536806008336","","","0.71073","MoKα","","0.0483","0.0395","","","0.0925","0.0967","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208665","7.3872","0.0004","18.8794","0.001","10.3992","0.0004","90","","130.156","0.003","90","","1108.48","0.11","100","0.1","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(2-Furyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","LH2019","Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; Venkataraya Shettigar; S. M. Dharmaprakash","3-(2-Furyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1526","o1528","10.1107/S1600536806009950","","","0.71073","MoKα","","0.0782","0.0651","","","0.1704","0.18","","","","","","1.099","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208666","9.3027","0.0003","12.1333","0.0005","14.5927","0.0006","88.751","0.0017","78.574","0.003","85.653","0.002","1609.79","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-2-[(2RS,3SR,6SR)-3-methyl-4-oxo-2,6-diphenylpiperidin-1-ylcarbonyl]- 2-phenylethenyl phenylacetate","","- C42 H37 N O4 -","- C42 H37 N O4 -","- C84 H74 N2 O8 -","2","1","LH2020","Thanikasalam, Kanagasabapathy; Jeyaraman, Ramasubbu; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","1-Benzyl-2-[(2<i>RS</i>,3<i>SR</i>,6<i>SR</i>)-3-methyl-4-oxo-2,6-diphenylpiperidin-1-ylcarbonyl]-2-phenylethenyl phenylacetate","Acta Crystallographica Section E","2006","62","4","o1443","o1445","10.1107/S1600536806008804","","","0.71073","MoKα","","0.123","0.0624","","","0.1298","0.1529","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208667","19.355","0.006","22.944","0.008","9.959","0.003","90","","97.905","0.006","90","","4381","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2RS,3SR,6SR)-3-ethyl-2,6-diphenyl-1-phenylacetyl-4-piperidone","","- C27 H27 N O2 -","- C27 H27 N O2 -","- C216 H216 N8 O16 -","8","2","LH2021","Thanikasalam, Kanagasabapathy; Jeyaraman, Ramasubbu; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Conformational isomers in (2<i>RS</i>,3<i>SR</i>,6<i>SR</i>)-3-ethyl-2,6-diphenyl-1-phenylacetyl-4-piperidone determined from synchrotron data at 120 K","Acta Crystallographica Section E","2006","62","4","o1452","o1454","10.1107/S1600536806009184","","","0.6712","synchrotron","","0.1975","0.1075","","","0.2757","0.3382","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208668","11.951","0.002","6.8459","0.0014","20.489","0.004","90","","106.12","0.03","90","","1610.4","0.6","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Benzoylacetonato)chloro[3-(dimethylamino)propylamine]copper(II)","","- C15 H23 Cl Cu N2 O2 -","- C15 H23 Cl Cu N2 O2 -","- C60 H92 Cl4 Cu4 N8 O8 -","4","1","LH2022","Juan-Lan Huang; Yun-Long Feng","(Benzoylacetonato)chloro[3-(dimethylamino)propylamine]copper(II)","Acta Crystallographica Section E","2006","62","4","m843","m845","10.1107/S1600536806009949","","","0.71073","MoKα","","","0.0319","","","0.0847","0.087","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208669","7.4704","0.0015","9.2406","0.0018","22.121","0.004","99.099","0.019","94.823","0.014","103.471","0.017","1454.7","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis{4-[(4-pyridyl)ethenyl]pyridinium} 4-sulfonatobenzoate trihydrate","","- C31 H32 N4 O8 S -","- C31 H32 N4 O8 S -","- C62 H64 N8 O16 S2 -","2","1","LH2023","Zhang, Li-Ping; Zhu, Long-Guan","Bis{4-[(4-pyridyl)ethenyl]pyridinium} 4-sulfonatobenzoate trihydrate","Acta Crystallographica Section E","2006","62","4","o1529","o1531","10.1107/S1600536806009767","","","0.71073","MoKα","","0.066","0.049","","","0.146","0.16","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208670","7.2756","0.0009","33.583","0.0006","6.132","0.005","90","","90","","90","","1498.3","1.2","120","2","120","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","","LH2026","Harrison, William T. A.; Sarojini, B. K.; Vijaya Raj, K. K.; Yathirajan, H. S.; Narayana, B.","A redetermination of 1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one at 120(2)K","Acta Crystallographica Section E","2006","62","4","o1522","o1523","10.1107/S1600536806009640","","","0.71073","MoKα","","0.104","0.0519","","","0.1059","0.1267","","","","","","1.102","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208671","13.2667","0.0004","4.107","0.0002","13.8207","0.0004","90","","110.314","0.0015","90","","706.2","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E,E)-1,4-Bis(2-iodophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 I2 N2 -","- C14 H10 I2 N2 -","- C28 H20 I4 N4 -","2","0.5","LH2027","Wardell, James L.; Low, John N.; Glidewell, Christopher","(<i>E</i>,<i>E</i>)-1,4-Bis(2-iodophenyl)-2,3-diaza-1,3-butadiene","Acta Crystallographica Section E","2006","62","4","o1565","o1566","10.1107/S1600536806010385","","","0.71073","MoKα","","0.0267","0.0224","","","0.0729","0.0748","","","","","","1.302","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208672","11.1","0.002","12.877","0.002","13.209","0.002","87.739","0.004","65.731","0.004","80.709","0.003","1697.8","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,4,6-triamino-1,3,5-triazin-1-ium) bis(pyridine2,6-dicarboxylato)zincate(II) decahydrate","","- C20 H40 N14 O18 Zn -","- C20 H40 N14 O18 Zn -","- C40 H80 N28 O36 Zn2 -","2","1","LH6589","Aghajani, Zahra; Sharif, Mahboubeh A.; Aghabozorg, Hossein; Naderpour, Azam","Bis(2,4,6-triamino-1,3,5-triazin-1-ium) bis(pyridine2,6-dicarboxylato)zincate(II) decahydrate","Acta Crystallographica Section E","2006","62","4","m830","m832","10.1107/S1600536806009688","","","0.71073","MoKα","","0.0535","0.0464","","","0.1092","0.1136","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","203560","2020-10-21","18:00:00",""
"2208673","12.89","0.006","8.846","0.003","13.967","0.005","90","","111.23","0.016","90","","1484.5","1","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(2-chloro-4-nitrophenoxy)benzoate","","- C15 H12 Cl N O5 -","- C15 H12 Cl N O5 -","- C60 H48 Cl4 N4 O20 -","4","1","LH6590","Zheng-Bo Chen; Jun Wu; Pei-Zhi Zhang; Pei-Min Zhang","Ethyl 4-(2-chloro-4-nitrophenoxy)benzoate","Acta Crystallographica Section E","2006","62","4","o1336","o1337","10.1107/S160053680600804X","","","0.71075","MoKα","","0.0635","0.044","","","0.1153","0.1264","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208674","9.941","0.002","11.551","0.002","15.24","0.003","68.271","0.003","89.203","0.003","76.337","0.003","1574.4","0.5","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","2,4-dibenzoyl-3,5-bis(4-methoxylphenyl)-1-phenylcyclohexanol","","- C40 H36 O5 -","- C40 H36 O5 -","- C80 H72 O10 -","2","1","NC2006","Xinxiang Luo; Zixing Shan","2,4-Dibenzoyl-3,5-bis(4-methoxylphenyl)-1-phenylcyclohexanol","Acta Crystallographica Section E","2006","62","4","o1631","o1632","10.1107/S1600536806010634","","","0.71073","MoKα","","0.0727","0.0433","","","0.098","0.1097","","","","","","0.942","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208675","13.6436","0.0017","11.5482","0.0009","17.1442","0.0019","90","","90.306","0.01","90","","2701.2","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2,7,7-Tetraphenyl-2,7-dihydrodibenzo[c,e]oxepine","","- C38 H28 O -","- C38 H28 O -","- C152 H112 O4 -","4","1","NC2007","Rueping, Magnus; Ieawsuwan, Winai; Bru Roig, Miriam; Bolte, Michael","2,2,7,7-Tetraphenyl-2,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine","Acta Crystallographica Section E","2006","62","4","o1478","o1479","10.1107/S1600536806009548","","","0.71073","MoKα","","0.152","0.0782","","","0.1673","0.1985","","","","","","0.955","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208676","11.92","0.002","10.312","0.003","14.855","0.004","90","0.02","108.43","0.02","90","0.019","1732.3","0.8","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Cyclopentylsulfanyl)-6-(1-naphthoyl)pyrimidin-4(3H)-one","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C80 H72 N8 O8 S4 -","4","1","NC6062","Lei Ji; Yun-Yan Kuang; Fen-Er Chen; Min-Qin Chen","2-(Cyclopentylsulfanyl)-6-(1-naphthoyl)pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","4","o1485","o1487","10.1107/S1600536806009378","","","0.71073","MoKα","","0.1216","0.0391","","","0.0905","0.1167","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208677","11.745","0.002","8.1666","0.0017","20.38","0.004","90","","105.397","0.003","90","","1884.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2-Oxido-1-naphthaldehyde (2-hydroxybenzoyl)hydrazonato]pyridinecopper(II)","","- C23 H17 Cu N3 O3 -","- C23 H17 Cu N3 O3 -","- C92 H68 Cu4 N12 O12 -","4","1","NG2007","Dong-Yan Xu; Ying Liu; Ming-Li Liu; Jun-Fa Wei; Jian-Min Dou","[2-Oxido-1-naphthaldehyde (2-hydroxybenzoyl)hydrazonato]pyridinecopper(II)","Acta Crystallographica Section E","2006","62","4","m671","m673","10.1107/S1600536806006696","","","0.71073","MoKα","","0.0627","0.0447","","","0.1083","0.1174","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208678","9.4054","0.0004","12.8726","0.0006","31.52","0.001","90","","98.354","0.001","90","","3775.7","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(4'-phenyl-2,2':6',2''-terpyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II) bis(tetrafluoroborate)","","- C42 H30 B2 Cu F8 N6 -","- C42 H30 B2 Cu F8 N6 -","- C168 H120 B8 Cu4 F32 N24 -","4","1","NG2014","Toscano, Rubén A.; Martínez-Vargas, Sergio; Valdés-Martínez, Jesús","Bis(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II) bis(tetrafluoroborate)","Acta Crystallographica Section E","2006","62","4","m846","m848","10.1107/S1600536806009664","","","0.71073","MoKα","","0.073","0.0466","","","0.0945","0.1018","","","","","","0.876","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208679","14.849","0.003","7.1407","0.0006","8.7237","0.0015","90","","113.751","0.013","90","","846.7","0.3","170","2","170","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Copper(II) chlorofumarate trihydrate","catena-poly[[[diaquacopper(II)]-μ-chlorofumarato-κO,O'] hydrate]","","- C4 H7 Cl Cu O7 -","- C4 H6 Cl Cu O7 -","- C16 H24 Cl4 Cu4 O28 -","4","0.5","NG2016","Billetter, Heinrich; Pantenburg, Ingo; Ruschewitz, Uwe","Copper(II) chlorofumarate trihydrate","Acta Crystallographica Section E","2006","62","4","m881","m883","10.1107/S1600536806010750","","","0.71073","MoKα","","0.0337","0.0305","","","0.0776","0.0793","","","","","","1.069","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208680","15.7402","0.0008","11.0625","0.0006","22.8274","0.0012","90","","97.334","0.001","90","","3942.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[aqua(1,10-phenanthroline)copper(II)-μ~2~-2-sulfonatobenzoato] trihydrate","","- C38 H34 Cu2 N4 O15 S2 -","- C38 H34 Cu2 N4 O15 S2 -","- C152 H136 Cu8 N16 O60 S8 -","4","1","NG2019","Wei-Bing Zhang; Shuang-Di Ruan; Shu-Juan Zhu; Hong-Ping Xiao; Sai-Ya Ye","Di-μ-2-sulfonatobenzoato-bis[aqua(1,10-phenanthroline)copper(II)] trihydrate","Acta Crystallographica Section E","2006","62","4","m875","m877","10.1107/S1600536806010749","","","0.71073","MoKα","","0.0475","0.0378","","","0.0969","0.1013","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208681","18.022","0.002","12.1978","0.0014","13.2366","0.0015","90","","121.115","0.002","90","","2491.2","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ^2^<i>O</i>,<i>O</i>')cadmium(II) 1,2-ethanediol solvate","","- C26 H22 Cd N4 O6 S -","- C26 H22 Cd N4 O6 S -","- C104 H88 Cd4 N16 O24 S4 -","4","0.5","NG2021","Wen-Jie Lu; Kai-Long Zhong; Yi-Min Zhu","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')cadmium(II) 1,2-ethanediol solvate","Acta Crystallographica Section E","2006","62","4","m891","m893","10.1107/S1600536806010592","","","0.71073","Mo-Kα","","0.0393","0.0313","","","0.0716","0.0766","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208682","19.525","0.002","12.3297","0.001","18.625","0.001","90","","93.486","0.003","90","","4475.4","0.6","100","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methyldithiobenzoato-S(triphenylphosphine)gold(I)","","- C26 H22 Au P S2 -","- C26 H22 Au P S2 -","- C208 H176 Au8 P8 S16 -","8","2","NG2023","Macalindong, Jennifer S.; Fronczek, Frank R.; Schuerman, Judith A.; Selbin, Joel; Watkins, Steven F.","(2-Methyldithiobenzoato-κ<i>S</i>)(triphenylphosphine-κ<i>O</i>)gold(I)","Acta Crystallographica Section E","2006","62","4","m889","m890","10.1107/S1600536806010725","","","0.71073","MoKα","","","0.0285","","","","0.0632","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208683","8.51","0.001","9.277","0.001","16.464","0.002","90","","100.337","0.002","90","","1278.7","0.3","295","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[bis[pentaaquagadolinium(III)]-μ-benzenehexacarboxylato] tetrahydrate]","","- C6 H14 Gd O13 -","- C6 H14 Gd O13 -","- C24 H56 Gd4 O52 -","4","1","NG2024","Zhi-Feng Li; Chun-Xiang Wang; Ping Wang; Qing-Hua Zhang","Poly[[bis[pentaaquagadolinium(III)]-μ~4~-benzene-1,2,3,4,5,6-hexacarboxylato] tetrahydrate]","Acta Crystallographica Section E","2006","62","4","m914","m915","10.1107/S1600536806010981","","","0.71073","MoKα","","0.0319","0.0292","","","0.0819","0.0833","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208684","13.3595","0.0003","16.9998","0.0004","45.5887","0.0013","90","","90","","90","","10353.6","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(tetraphenylphosphonium) (cis-dioxo)bis(1-carboxybenzene-2,3-diolate-O,O')molybdenum(VI)","","- C62 H48 Mo O10 P2 -","- C62 H48 Mo O10 P2 -","- C496 H384 Mo8 O80 P16 -","8","1","OB2002","Litos, Charalambos; Karaliota, Alexandra; Parsons, Simon","Bis(tetraphenylphosphonium) bis(1-carboxybenzene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')-<i>cis</i>-dioxomolybdate(VI)","Acta Crystallographica Section E","2006","62","4","m928","m930","10.1107/S1600536806010907","","","0.71073","MoKα","","0.0697","0.0452","","","0.0918","0.0996","","","","","","1.06","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2208685","10.2686","0.0006","9.5313","0.0005","17.5095","0.0009","90","","95.708","0.002","90","","1705.21","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1-mercapto-1-(p-tolylsulfanyl)-N-(p-tosylmethyl)methanimine","","- C16 H17 N O2 S3 -","- C16 H17 N O2 S3 -","- C64 H68 N4 O8 S12 -","4","1","OB2003","Kakeya, Masaki; Fujihara, Takashi; Nagasawa, Akira","(<i>E</i>)-1-Mercapto-1-(<i>p</i>-tolylsulfanyl)-<i>N</i>-(<i>p</i>-tosylmethyl) methanimine: a two-dimensional supramolecular network of S—H···O and C—H···π interactions","Acta Crystallographica Section E","2006","62","4","o1384","o1386","10.1107/S160053680600849X","","","0.71073","MoKα","","0.0846","0.0555","","","0.1415","0.1583","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208686","13.22","0.008","18.431","0.011","8.475","0.005","90","","103.223","0.011","90","","2010","2","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-fluorophenyl)-5-benzyl-2-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo [3,2-c]pyridine","","- C26 H23 F N2 -","- C26 H23 F N2 -","- C104 H92 F4 N8 -","4","1","OB2006","Chopra, Deepak; Nagarajan, K.; Guru Row, T. N.","5-Benzyl-1-(4-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrrolo[3,2-<i>c</i>]pyridine","Acta Crystallographica Section E","2006","62","4","o1588","o1590","10.1107/S1600536806010427","","","0.71073","MoKα","","0.1164","0.0821","","","0.1267","0.1373","","","","","","1.234","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208687","10.5383","0.0015","10.9564","0.0016","11.0465","0.0016","90","","107.534","0.002","90","","1216.2","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 3-(2-chloro-5-ethyl-3-pyridinyl)-3-hydroxy-2- methylenepropanoate","","- C12 H14 Cl N O3 -","- C12 H14 Cl N O3 -","- C48 H56 Cl4 N4 O12 -","4","1","OB2007","G. Y. S. K. Swamy; K. Ravikumar; P. Narender; V. Jayathirtha Rao","Methyl 3-(2-chloro-5-ethyl-3-pyridyl)-3-hydroxy-2-methylenepropanoate","Acta Crystallographica Section E","2006","62","4","o1612","o1614","10.1107/S1600536806010646","","","0.71073","MoKα","","0.0405","0.0375","","","0.1065","0.1097","","","","","","1.039","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208688","13.646","0.005","15.289","0.006","6.309","0.002","90","","113.798","0.006","90","","1204.4","0.8","298","","298","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Bis(2,2'-bipyridine)-bis(oxo)dicobalt(III) diperchlorate","","- C20 H16 Cl2 Co2 N4 O10 -","- C20 H16 Cl2 Co2 N4 O10 -","- C40 H32 Cl4 Co4 N8 O20 -","2","0.25","OB2008","Zhang, Hui; Chen, Pu; Fang, Liang","Di-μ-oxo-bis[(2,2'-bipyridine)cobalt(III)] bis(perchlorate)","Acta Crystallographica Section E","2006","62","4","m934","m935","10.1107/S1600536806011019","","","0.71073","MoKα","","0.0894","0.0724","","","0.1532","0.1618","","","","","","1.237","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208689","9.9783","0.0011","11.976","0.003","12.06","0.002","78.131","0.015","82.769","0.011","88.851","0.012","1399.1","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Bis(N-ethylethylenediamine-κ^2^N,N')copper(II)‒hexacyanocobalt(III)‒water (3/2/4)","poly[[tetracyano-octa-μ-cyano-hexakis(N- ethylethylenediamine)tricopper(II)dicobalt(II)] tetrahydrate]","","- C36 H80 Co2 Cu3 N24 O4 -","- C36 H80 Co2 Cu3 N24 O4 -","- C36 H80 Co2 Cu3 N24 O4 -","1","0.5","OB6609","Akitsu, Takashiro; Einaga, Yasuaki","Bis(<i>N</i>-ethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)‒hexacyanocobaltate(III)‒water (3/2/4): a two-dimensional ladder structure of a bimetallic assembly","Acta Crystallographica Section E","2006","62","4","m750","m752","10.1107/S1600536806008105","","","0.71073","MoKα","","0.0606","0.0483","","","0.14","0.15","","","","","","1.157","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208690","6.56","0.004","7.35","0.005","8.068","0.003","107.27","0.04","90.92","0.04","106.54","0.06","353.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[μ-cyano-1:2κ^2^C:N-μ-cyano-1:2'κ^2^C:N-dicyano-1-κ^2^C- bis(ethylenediamine-2κ^2^N,N')platinum(II)copper(II)]","","- C8 H16 Cu N8 Pt -","- C8 H16 Cu N8 Pt -","- C8 H16 Cu N8 Pt -","1","0.5","OB6610","Akitsu, Takashiro; Einaga, Yasuaki","The one-dimensional chain structure of [Cu(en)~2~Pt(CN)~4~] (en is ethylenediamine)","Acta Crystallographica Section E","2006","62","4","m862","m864","10.1107/S1600536806010488","","","0.71073","MoKα","","0.0218","0.0218","","","0.0551","0.0551","","","","","","1.006","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208691","25.2387","0.0009","14.4943","0.0006","14.2058","0.0005","90","","90","","90","","5196.7","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Hexaaqua-1κ^3^O,3κ^3^O-tri-μ-cyano-1:2κ^2^N:C;2:3κ^2^C:N;3:4κ^2^N:C- nonacyano-2κ^4^C,4κ^5^C-pentakis(N,N-dimethylacetamide)-1κ^3^O,3κ^2^O- diiron(III)diytterbium(III) dihydrate","","- C32 H61 Fe2 N17 O13 Yb2 -","- C32 H61 Fe2 N17 O13 Yb2 -","- C128 H244 Fe8 N68 O52 Yb8 -","4","1","OM2005","Svendsen, Helle; Overgaard, Jacob; Chevalier, Marie A.; Iversen, Bo B.","Hexaaqua-1κ^3^<i>O</i>,3κ^3^<i>O</i>-tri-μ-cyano-1:2κ^2^<i>N</i>:<i>C</i>;2:3κ^2^<i>C</i>:<i>N</i>;3:4κ^2^<i>N</i>:<i>C</i>-nonacyano-2κ^4^<i>C</i>,4κ^5^<i>C</i>-pentakis(<i>N</i>,<i>N</i>-dimethylacetamide)-1κ^3^<i>O</i>,3κ^2^<i>O</i>-diiron(III)diytterbium(III) dihydrate","Acta Crystallographica Section E","2006","62","4","m793","m795","10.1107/S160053680600883X","","","0.71073","MoKα","","0.0378","0.0269","","","0.0491","0.0538","","","","","","1.165","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208692","7.5637","0.0005","11.5604","0.0007","21.3353","0.0013","90","","90","","90","","1865.5","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-2,2'-Diethoxy-1,1'-binaphthyl","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","OM2006","Thorup, Niels; Deussen, Heinz-Josef; Bechgaard, Klaus; Bjørnholm, Thomas","(<i>S</i>)-2,2'-Diethoxy-1,1'-binaphthyl","Acta Crystallographica Section E","2006","62","4","o1342","o1343","10.1107/S1600536806007872","","","0.71073","MoKα","","0.0584","0.0393","","","0.0879","0.097","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208693","8.051","0.005","12.24","0.005","18.316","0.005","93.426","0.005","99.218","0.005","100.494","0.005","1744.5","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hexadecyltrimethylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^S^4^,S^5^)nickel(III)","","- C25 H42 N Ni S10 -","- C25 H42 N Ni S10 -","- C50 H84 N2 Ni2 S20 -","2","1","OM6279","Wang, Yan-Ling; Xu, Dong; Yu, Wen-Tao; Wang, Xin-Qiang; Zhang, Guang-Hui","Hexadecyltrimethylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III)","Acta Crystallographica Section E","2006","62","4","m757","m759","10.1107/S1600536806008415","","","0.71069","MoKα","","0.073","0.0523","","","0.1367","0.1552","","","","","","1.021","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208694","9.4511","0.0003","12.3528","0.0005","12.6391","0.0004","101.853","0.002","109.278","0.002","95.797","0.002","1340.19","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(diphenylphosphinato-κO)bis(diphenylphosphinic acid-κO)bis(pyridine-κN)mercury(II)","","- C58 H52 Hg N2 O8 P4 -","- C58 H52 Hg N2 O8 P4 -","- C58 H52 Hg N2 O8 P4 -","1","0.5","OM6291","Márcia R. Siqueira; Javier Ellena; Robert A. Burrow","Bis(diphenylphosphinato-κ<i>O</i>)bis(diphenylphosphinic acid-κ<i>O</i>)bis(pyridine-κ<i>N</i>)mercury(II)","Acta Crystallographica Section E","2006","62","4","m816","m818","10.1107/S1600536806009469","","","0.71073","MoKα","","0.0571","0.0466","","","0.11","0.1152","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208695","12.948","0.004","21.805","0.004","10.47","0.002","90","","90","","90","","2956","1.2","295","2","295","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","Bis(2,2'-bipyridine-κ^2^N,N')bis(4-hydroxybenzoato-κO)manganese(II)","","- C34 H26 Mn N4 O6 -","- C34 H26 Mn N4 O6 -","- C136 H104 Mn4 N16 O24 -","4","","RN6074","Zi-Qiang Hu; Lian-Bin Wu; Guo-Qiao Lai","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(4-hydroxybenzoato-κ<i>O</i>)manganese(II)","Acta Crystallographica Section E","2006","62","4","m712","m713","10.1107/S1600536806007422","","","0.71073","MoKα","","0.038","0.031","","","0.07","0.072","","","","","","1.009","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208696","7.259","0.003","9.109","0.003","18.334","0.007","90","","90","","90","","1212.3","0.8","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-hydroxyquinoline‒5-methyl-1H-imidazole (1/1)","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","RZ2005","Zhi-Xiong Liu; Meng, Xiang-Gao","A 1:1 cocrystal of 8-hydroxyquinoline and 5-methyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2006","62","4","o1286","o1288","10.1107/S1600536806007604","","","0.71073","MoKα","","0.1152","0.0593","","","0.1143","0.1288","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208697","24.7379","0.0015","3.9383","0.0002","32.063","0.002","90","","106.344","0.001","90","","2997.5","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[bis[5-(4-bromophenyl)-2-(4-pyrimidyl)pyridine]dicopper(I)]-di- μ~3~-bromo]","","- C32 H22 Br4 Cu2 N4 -","- C32 H22 Br4 Cu2 N4 -","- C128 H88 Br16 Cu8 N16 -","4","1","RZ2006","Chun-Bo Liu; Bin Li; Guang-Bo Che; Qun Liu","Hydrothermal synthesis of a copper(I) stair-like polymer: <i>catena</i>-poly[[bis[5-(4-bromophenyl)-2-(4-pyrimidyl)pyridine]dicopper(I)]-di-μ~3~-bromo]","Acta Crystallographica Section E","2006","62","4","m765","m766","10.1107/S1600536806008282","","","0.71073","MoKα","","0.1063","0.0792","","","0.1965","0.2125","","","","","","0.949","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208698","12.5196","0.0008","6.9535","0.0004","12.5987","0.0008","90","","112.039","0.001","90","","1016.64","0.11","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-6-tert-butyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one","","- C7 H12 N4 O S -","- C7 H12 N4 O S -","- C28 H48 N16 O4 S4 -","4","1","RZ2007","B. Sridhar; K. Ravikumar; H. S. Yathirajan; H. G. Anilkumar; B. Narayana","4-Amino-6-<i>tert</i>-butyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","4","o1382","o1383","10.1107/S1600536806008452","","","0.71073","MoKα","","0.0405","0.0385","","","0.1126","0.115","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208699","12.795","0.003","12.8","0.003","13.408","0.003","102.56","0.03","102","0.03","111.91","0.03","1884.5","1.1","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","[aqua(3-aminobenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,\ <i>N</i>')manganese(II)] 3-aminobenzoate 4.5-hydrate","","- C38 H39 Mn N6 O9.5 -","- C38 H37 Mn N6 O9.5 -","- C76 H74 Mn2 N12 O19 -","2","1","RZ2010","Wen-Zhi Zhang","A new manganese(II) complex with the <i>m</i>-aminobenzoate anion: [aqua(3-aminobenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)] 3-aminobenzoate 4.5-hydrate","Acta Crystallographica Section E","2006","62","4","m857","m859","10.1107/S1600536806010245","","","0.71073","MoKα","","0.084","0.0499","","","0.1347","0.1432","","","","","","0.937","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208700","9.6135","0.0004","7.9969","0.0003","24.4047","0.0009","90","","93.942","0.001","90","","1871.75","0.13","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2,6-Bis(2-pyridylamino)pyridine]diacetylnickel(II)","","- C19 H19 N5 Ni O4 -","- C19 H19 N5 Ni O4 -","- C76 H76 N20 Ni4 O16 -","4","1","RZ2011","Liu, Yin-Qiu; Zeng, Xi-Rui; Kuang, Han-Mao; Chen, Hua-Long; Luo, Qiu-Yan","Diacetato[2,6-bis(2-pyridylamino)pyridine]nickel(II)","Acta Crystallographica Section E","2006","62","4","m878","m880","10.1107/S1600536806010774","","","0.71073","MoKα","","0.0399","0.03","","","0.0741","0.0786","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208701","18.873","0.002","5.391","0.001","12.851","0.003","90","","99.474","0.004","90","","1289.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl N2 O3 -","- C14 H11 Cl N2 O3 -","- C56 H44 Cl4 N8 O12 -","4","1","RZ2013","De-Suo Yang","5-Chlorosalicylaldehyde salicylhydrazone","Acta Crystallographica Section E","2006","62","4","o1591","o1592","10.1107/S1600536806010798","","","0.71073","MoKα","","0.1524","0.0726","","","0.1252","0.1533","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208702","9.2569","0.0007","12.6338","0.0009","15.3446","0.0011","82.383","0.001","82.779","0.001","82.824","0.001","1753.9","0.2","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","triaquachlorotriperchloratobis[μ~2~-3- (2-pyridylmethylamino)butyrato]tricopper(II) dihydrate","","- C20 H36 Cl4 Cu3 N4 O21 -","- C20 H36 Cl4 Cu3 N4 O21 -","- C40 H72 Cl8 Cu6 N8 O42 -","2","1","SG2007","Choi, Ki-Young; Lee, Kyu-Chul; Lee, Han-Hyoung; Ko, Jaejung; Han, Won-Sik","A trinuclear copper(II) complex: triaquachlorotriperchloratobis[μ~2~-3-(2-pyridylmethylamino)butyrato]tricopper(II) dihydrate","Acta Crystallographica Section E","2006","62","4","m690","m692","10.1107/S160053680600701X","","","0.71073","MoKα","","0.0654","0.0398","","","0.0917","0.1028","","","","","","1.022","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208703","31.3142","0.0014","31.3142","0.0014","12.6792","0.0007","90","","90","","90","","12433","1","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Octabutanol(dodecaoxidododecaphenyl[18.4.0]dodecasiloxane)tetracopper(II) tetrasodium(I)","","- C104 H140 Cu4 Na4 O32 Si12 -","- C104 H140 Cu4 Na4 O32 Si12 -","- C416 H560 Cu16 Na16 O128 Si48 -","4","0.25","SG2008","Bauch, Christian; Zherlitsyna, Larissa; Auner, Norbert; Bolte, Michael","Octabutanol(dodecaoxidododecaphenyl[18.4.0]dodecasiloxane)tetracopper(II)tetrasodium(I)","Acta Crystallographica Section E","2006","62","4","m705","m707","10.1107/S1600536806007021","","","0.71073","MoKα","","0.0602","0.0458","","","0.1267","0.1333","","","","","","1.011","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208704","5.751","0.0012","10.176","0.002","11.775","0.002","90","","100.69","0.03","90","","677.1","0.2","295","1","295","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-5-nitrouracil","","- C5 H5 N3 O4 -","- C5 H5 N3 O4 -","- C20 H20 N12 O16 -","4","1","SG2009","Wagner, Paweł; Kubicki, Maciej","3-Methyl-5-nitrouracil","Acta Crystallographica Section E","2006","62","4","o1257","o1259","10.1107/S1600536806007033","","","0.71073","MoKα","","0.0657","0.045","","","0.1172","0.1277","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208705","15.337","0.003","8.337","0.0017","14.091","0.003","90","","93.4","0.03","90","","1798.6","0.6","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[methanoltrinitratothallium(III)]-μ-4,4'-bipyridine N,N'-dioxide]","","- C11 H11 N5 O12 Tl -","- C11 H11 N5 O12 Tl -","- C44 H44 N20 O48 Tl4 -","4","0.5","SG2010","Moitsheki, Lesego J.; Bourne, Susan A.; Nassimbeni, Luigi R.","<i>catena</i>-Poly[[methanoltrinitratothallium(III)]-μ-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide]","Acta Crystallographica Section E","2006","62","4","m677","m679","10.1107/S1600536806007057","","","0.71073","MoKα","","0.0435","0.0378","","","0.1101","0.1129","","","","","","1.206","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208706","9.5216","0.0009","11.076","0.001","12.5294","0.0011","105.036","0.002","101.193","0.002","114.05","0.002","1095.93","0.18","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","5-Methyl-2-morphino-3-p-tolyl-8,9,10,11,- tetrahydro-2-benzothieno[2',3':6,5]pyrido[4,3-d]pyrimidin-4(3H)-one","","- C25 H26 N4 O2 S -","- C25 H26 N4 O2 S -","- C50 H52 N8 O4 S2 -","2","1","SG2011","Chen, He-Lian; He, Hong-Wu","5-Methyl-2-morpholino-3-<i>p</i>-tolyl-8,9,10,11-tetrahydro-2-benzothieno[2',3':6,5]pyrido[4,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","4","o1226","o1227","10.1107/S1600536806007069","","","0.71073","MoKα","","0.0701","0.0496","","","0.1141","0.1233","","","","","","0.951","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208707","5.9662","0.0007","7.9654","0.0009","22.227","0.002","90","","90","","90","","1056.3","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4-Dimethyl-1-phenylphosphole","","- C12 H13 P -","- C12 H13 P -","- C48 H52 P4 -","4","1","SG2014","Scheibitz, Matthias; Lerner, Hans-Wolfram; Bolte, Michael","3,4-Dimethyl-1-phenylphosphole","Acta Crystallographica Section E","2006","62","4","o1476","o1477","10.1107/S1600536806009391","","","0.71073","MoKα","","0.0645","0.0517","","","0.1112","0.1178","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208708","5.909","0.002","9.411","0.004","10.2423","0.0018","69.929","0.011","80.34","0.02","78.829","0.015","521.7","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Methyl β-N-phenylmethylene dithiocarbazate","","- C9 H10 N2 S2 -","- C9 H10 N2 S2 -","- C18 H20 N4 S4 -","2","1","SG2015","Shang Shan; Yan-Ling Zhang; Duan-Jun Xu","Methyl β-<i>N</i>-phenylmethylenedithiocarbazate","Acta Crystallographica Section E","2006","62","4","o1567","o1569","10.1107/S1600536806010300","","","0.71073","MoKα","","0.047","0.037","","","0.11","0.115","","","","","","1.079","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208709","12.1917","0.0002","7.6348","0.0002","15.3895","0.0002","90","","107.466","0.001","90","","1366.43","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N4 O6 S2 -","- C9 H12 N4 O6 S2 -","- C36 H48 N16 O24 S8 -","4","1","SG2017","Afroza Banu; G. M. Golzar Hossain","Sulfathiazolium nitrate monohydrate","Acta Crystallographica Section E","2006","62","4","o1573","o1574","10.1107/S1600536806010312","","","0.71073","MoKα","","0.0456","0.0377","","","0.1003","0.1055","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208710","11.142","0.0014","10.4997","0.0012","10.7201","0.0013","90","","90","","90","","1254.1","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","tert-Butyl 3-endo-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C48 H84 N4 O12 -","4","1","SJ2002","Chen, Shuang-Wei; Xu, Cai-Hong; Zheng, Guo-Rong; Jin, Xu-Fu","<i>tert</i>-Butyl 3-<i>endo</i>-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate","Acta Crystallographica Section E","2006","62","4","o1233","o1234","10.1107/S1600536806006039","","","0.71073","MoKα","","0.0453","0.0382","","","0.0891","0.093","","","","","","0.935","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208711","9.184","0.001","13.384","0.002","13.638","0.002","90","","105.72","0.002","90","","1613.7","0.4","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","methyl tashinonate","(S)-Methyl 6,7,8,9,10,11-Hexahydro-1,6-dimethyl-10,11-dioxophenanthro[1,2-b]- furan-6-carboxylate","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","2","SJ2005","Qin, Jiang-Ke; Zeng, Ming-Hua; Ng, Seik Weng","(<i>S</i>)-Methyl 6,7,8,9,10,11-hexahydro-1,6-dimethyl-10,11-dioxophenanthro[1,2-<i>b</i>]furan-6-carboxylate (methyl tashinonate)","Acta Crystallographica Section E","2006","62","4","o1371","o1372","10.1107/S1600536806007203","","","0.71073","MoKα","","0.047","0.037","","","0.097","0.107","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208712","9.7076","0.0006","9.7875","0.0013","26.348","0.003","96.918","0.011","91.942","0.007","119.488","0.008","2150.6","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-pyridine-2-thiolato-bis[chloro(triphenylphosphine)copper(I)]","","- C46 H40 Cl2 Cu2 N2 P2 S2 -","- C46 H40 Cl2 Cu2 N2 P2 S2 -","- C92 H80 Cl4 Cu4 N4 P4 S4 -","2","1","SJ2006","Marjani, Katayoun; Davies, Sian C.; Durrant, Marcus C.; Hughes, David L.; Khodamorad, Nejat","Di-μ-pyridine-2-thiolato-bis[chloro(triphenylphosphine)copper(I)]","Acta Crystallographica Section E","2006","62","4","m744","m746","10.1107/S1600536806006672","","","0.71069","MoKα","","0.0449","0.0323","","","0.081","0.0902","","","","","","1.052","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208713","37.707","0.012","14.552","0.003","25.583","0.005","90","","129.777","0.019","90","","10789","5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","cis-Aquabis[bis(diphenylphosphino)ethane-κ~2~P,P']chlororuthenium(II) hexafluorophosphate 1.5-dichloromethane 0.5-water solvate","","- C53.5 H54 Cl4 F6 O1.5 P5 Ru -","- C53.5 H53 Cl4 F6 O1.5 P5 Ru -","- C428 H424 Cl32 F48 O12 P40 Ru8 -","8","1","SJ2007","Luca Russo; João Figueira; João Rodrigues; Kari Rissanen","<i>cis</i>-Aquabis[bis(diphenylphosphino)ethane-κ~2~<i>P</i>,<i>P</i>']chlororuthenium(II) hexafluorophosphate dichloromethane sesquisolvate hemihydrate","Acta Crystallographica Section E","2006","62","4","m699","m701","10.1107/S1600536806006921","","","0.71073","MoKα","","0.1053","0.0665","","","0.1233","0.1402","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2208714","8.354","0.009","16.39","0.07","16.78","0.01","90","","90","","90","","2298","10","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Longipilin acetate","","- C23 H28 O9 -","- C23 H28 O9 -","- C92 H112 O36 -","4","1","SJ2008","Ospina, Olga L.; Rojas, Carlos A.; Vega, Daniel","Longipilin acetate","Acta Crystallographica Section E","2006","62","4","o1330","o1332","10.1107/S1600536806007215","","","0.71073","MoKα","","0.2048","0.043","","","0.099","0.1378","","","","","","0.917","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208715","9.4771","0.0005","7.6956","0.0005","8.3279","0.0005","90","","103.763","0.004","90","","589.93","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-3-Azabicyclo[3.2.0]heptane-2,4-dione","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C24 H28 N4 O8 -","4","1","SJ2009","Butcher, Ray J.; Hijji, Yousef M.; Benjamin, Ellis","<i>cis</i>-3-Azabicyclo[3.2.0]heptane-2,4-dione","Acta Crystallographica Section E","2006","62","4","o1266","o1268","10.1107/S1600536806006933","","","1.54178","CuKα","","0.0513","0.0491","","","0.1321","0.1343","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208716","18.1842","0.0017","11.0507","0.0011","16.2682","0.0016","90","","115.905","0.002","90","","2940.6","0.5","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-n-Butyl-2-methoxy-1-benzothieno[3,2-d]pyrimidin-4(3H)-one","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C120 H128 N16 O16 S8 -","8","2","SJ2010","Min-Hui Cao; Sheng-Zhen Xu; Yang-Gen Hu","3-<i>n</i>-Butyl-2-methoxy-1-benzothieno[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","4","o1319","o1320","10.1107/S1600536806007549","","","0.71073","MoKα","","0.1233","0.0669","","","0.147","0.1751","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208717","6.067","0.0013","7.6467","0.0017","11.678","0.003","96.004","0.004","104.036","0.003","105.835","0.003","497.1","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","3-Hydroxy-N,N-dimethyl-3-(2-thienyl)propanamine","","- C9 H15 N O S -","- C9 H15 N O S -","- C18 H30 N2 O2 S2 -","2","1","SJ2011","Tao, Min-Li; Li, Ai-Jun; Wang, Jian; Ma,Jing; Liu, Dong-Zhi","3-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-3-(2-thienyl)propanamine","Acta Crystallographica Section E","2006","62","4","o1289","o1290","10.1107/S1600536806007550","","","0.71073","MoKα","","0.0421","0.0368","","","0.0935","0.0986","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208718","9.9409","0.0006","20.9722","0.0014","8.4392","0.0006","90","","90","","90","","1759.4","0.2","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N,N,N'-Triacetyl-2,6-diamino-4-t-butylanisole","","- C17 H24 N2 O4 -","- C17 H24 N2 O4 -","- C68 H96 N8 O16 -","4","1","SJ2012","Polson, Matthew I. J.; Steel, Peter J.","<i>N</i>,<i>N</i>,<i>N</i>'-Triacetyl-2,6-diamino-4-<i>tert</i>-butylanisole","Acta Crystallographica Section E","2006","62","4","o1300","o1301","10.1107/S1600536806007768","","","0.71073","MoKα","","0.0353","0.0336","","","0.088","0.0893","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208719","8.7795","0.0012","8.7795","","26.02","0.005","90","","90","","90","","2005.6","0.5","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","fumitremorgine C","1,2,3,5a,6,11,12,14a-Octahydro-9-methoxy-12-(2-methylprop-1-enyl)-5H,14H- pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C88 H100 N12 O12 -","4","1","SJ2013","Wang, Feng-Wu; Jiao, Rui-Hua; Tan, Ren-Xiang; Zhu, Hai-Liang; Tiekink, Edward R. T.","1,2,3,5a,6,11,12,14a-Octahydro-9-methoxy-12-(2-methylprop-1-enyl)-5<i>H</i>,14<i>H</i>-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-<i>b</i>]indole-5,14-dione","Acta Crystallographica Section E","2006","62","4","o1375","o1377","10.1107/S1600536806007513","","","0.71073","MoKα","","0.078","0.044","","","0.124","0.136","","","","","","1.21","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208720","9.4971","0.0016","9.6841","0.0016","16.098","0.003","106.158","0.002","102.418","0.002","90.951","0.002","1384.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(diethylenetriammonium) tris(hexacyanoferrate(II)) octahydrate","","- C34 H80 Fe3 N30 O8 -","- C34 H80 Fe3 N30 O8 -","- C34 H80 Fe3 N30 O8 -","1","0.5","SJ2014","Li, Yu-Guang; Zhu, Hai-Liang; Tiekink, Edward R. T.","Tetrakis(diethylenetriammonium) tris[hexacyanoferrate(II)] octahydrate","Acta Crystallographica Section E","2006","62","4","m760","m762","10.1107/S1600536806007525","","","0.71073","MoKα","","0.028","0.026","","","0.071","0.073","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208721","15.7504","0.0005","13.9442","0.0005","5.8289","0.0002","90","","92.034","0.002","90","","1279.38","0.08","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis(4-bromophenyl)prop-2-en-1-one","","- C15 H10 Br2 O -","- C15 H10 Br2 O -","- C60 H40 Br8 O4 -","4","1","SJ2015","Shea-Lin Ng; P. S. Patil; Ibrahim Abdul Razak; Hoong-Kun Fun; Venkataraya Shettigar; S. M. Dharmaprakash","1,3-Bis(4-bromophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1421","o1423","10.1107/S1600536806008841","","","0.71073","MoKα","","0.0747","0.038","","","0.0883","0.1115","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208722","25.944","0.009","8.45","0.003","22.105","0.012","90","","122.747","0.003","90","","4076","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N4 Ni O6 -","- C22 H18 N4 Ni O6 -","- C176 H144 N32 Ni8 O48 -","8","1","SJ2016","Li, Chang-Qing; Zhu, Li-Na; Li, Xiao-Zeng; Li, Rong","A new polymorph of (dimethyl 5,6,7,8,15,16-hexahydro-6,7-dioxo-5,8,14,17-tetraazadibenzo[<i>a</i>,<i>g</i>]cyclotetradecine-13,18-dicarboxylato-κ^4^<i>N</i>)nickel(II)","Acta Crystallographica Section E","2006","62","4","m870","m872","10.1107/S1600536806010415","","","0.71073","MoKα","","0.0437","0.0298","","","0.0747","0.0795","","","","","","1.067","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208723","34.1239","0.0008","4.6292","0.0001","19.0194","0.0004","90","","103.001","0.002","90","","2927.41","0.11","100","0.1","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-(4-bromophenyl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one","3-(4-bromophenyl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one","","- C17 H15 Br O3 -","- C17 H15 Br O3 -","- C136 H120 Br8 O24 -","8","1","SJ2017","Mohd Mustaqim Rosli; P. S. Patil; Hoong-Kun Fun; S. M. Dharmaprakash; M. S. Karthikeyan","1-(4-Bromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1460","o1462","10.1107/S1600536806009214","","","0.71073","MoKα","","0.073","0.0373","","","0.0919","0.1289","","","","","","1.162","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208724","7.1962","0.0016","10.532","0.002","16.963","0.004","90","","90","","90","","1285.6","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-1-Hydroxybutan-2-ammonium (2R,3R)-tartrate monohydrate","","- C8 H19 N O8 -","- C8 H19 N O8 -","- C32 H76 N4 O32 -","4","1","SJ2018","Zhang, Yue-Cheng; Bai, Guo-Yi; Zeng, Tao; Li, Jiang-Sheng; Yan Xi-Long","(<i>R</i>)-1-Hydroxybutan-2-ammonium (2<i>R</i>,3<i>R</i>)-tartrate monohydrate","Acta Crystallographica Section E","2006","62","4","o1511","o1512","10.1107/S1600536806009615","","","0.71073","MoKα","","0.0555","0.0407","","","0.1042","0.1173","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","201973","2020-10-21","18:00:00",""
"2208725","10.4149","0.0003","15.0106","0.0005","16.311","0.0005","90","","90","","90","","2549.96","0.14","100","0.1","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-[(R)-1-Phenylethyl]thiobenzamide","N-[(R)-1-Phenylethyl]thiobenzamide","","- C15 H15 N S -","- C15 H15 N S -","- C120 H120 N8 S8 -","8","2","SJ2019","Zhong-Lin Lu; Hoong-Kun Fun; Suchada Chantrapromma; R. Stan Brown","<i>N</i>-[(<i>R</i>)-1-Phenylethyl]thiobenzamide","Acta Crystallographica Section E","2006","62","4","o1513","o1515","10.1107/S1600536806009639","","","0.71073","MoKα","","0.0529","0.0467","","","0.1141","0.1173","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208726","30.65","0.001","8.464","0.003","7.769","0.001","90","","90","","90","","2015.4","0.8","273","2","273","2","","","","","","","","5","C m c 21","C 2c -2","36","","[N,N'-Bis(2-oxido-1-naphthylmethylidene)propane-1,3-diamine]manganese(II)","","- C25 H20 Mn N2 O2 -","- C25 H20 Mn N2 O2 -","- C100 H80 Mn4 N8 O8 -","4","0.5","SJ2020","Yu-Liang Zhang","[<i>N</i>,<i>N</i>'-Bis(2-oxido-1-naphthylmethylidene)propane-1,3-diamine]manganese(II)","Acta Crystallographica Section E","2006","62","4","m900","m901","10.1107/S1600536806009809","","","0.71073","MoKα","","0.061","0.0459","","","0.1116","0.1215","","","","","","0.973","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208727","31.3937","0.0005","4.0139","0.0001","25.24","0.0004","90","","112.885","0.001","90","","2930.17","0.1","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H15 Br O3 -","- C17 H15 Br O3 -","- C136 H120 Br8 O24 -","8","2","SJ2021","Shea-Lin Ng; Venkataraya Shettigar; Ibrahim Abdul Razak; Hoong-Kun Fun; P. S. Patil; S. M. Dharmaprakash","1-(4-Bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1570","o1572","10.1107/S1600536806010099","","","0.71073","MoKα","","0.0759","0.0476","","","0.1085","0.1257","","","","","","1.149","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208728","12.02","0.003","12.488","0.003","14.562","0.003","88.964","0.003","84.89","0.003","62.852","0.003","1936.7","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Octabutyl-1κ^2^<i>C</i>, 2κ^2^<i>C</i>, 3κ^2^<i>C</i>, 4-2<i>C</i>-di-2‒2,4-dichlorophenoxyacetato-1:2κ^2^<i>O</i>:<i>O</i>^'^; 3:4κ^2^<i>O</i>:<i>O</i>^'^-bis-(2,4-dichlorophenoxyacetato)-1κ<i>O</i>, 4κ<i>O</i>-di-μ~3~-oxo-1:2:3κ^3^<i>O</i>:<i>O</i>:<i>O</i>;2:3:4κ^3^ <i>O</i>:<i>O</i>:<i>O</i>-tetratin(IV)","","- C64 H92 Cl8 O14 Sn4 -","- C64 H92 Cl8 O14 Sn4 -","- C64 H92 Cl8 O14 Sn4 -","1","0.5","SJ2026","Fa-Hui Li; Han-Dong Yin; Wen-Bo Huang; Yu-Wei Wang","Octabutyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-bis(μ~2~-2,4-dichlorophenoxyacetato)-1:2κ^2^<i>O</i>:<i>O</i>';3:4κ^2^<i>O</i>:<i>O</i>'-bis(2,4-dichlorophenoxyacetato)-1κ<i>O</i>,4κ<i>O</i>-di-μ~3~-oxo-1:2:3κ^3^<i>O</i>:<i>O</i>:<i>O</i>;2:3:4κ^3^<i>O</i>:<i>O</i>:<i>O</i>-tetratin(IV)","Acta Crystallographica Section E","2006","62","4","m919","m921","10.1107/S1600536806010889","","","0.71073","MoKα","","0.0884","0.0489","","","0.1095","0.1343","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208729","6.995","0.0001","26.658","0.005","13.013","0.003","90","","103.7","0.001","90","","2357.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(2-Chlorobenzyl)-2-methylpyridinium) bis(maleonitriledithiolate) nickel(III)","","- C21 H13 Cl N5 Ni S4 -","- C21 H13 Cl N5 Ni S4 -","- C84 H52 Cl4 N20 Ni4 S16 -","4","1","SJ2027","Chun-Lin Ni; Ming-Guo Liu","1-(2-Chlorobenzyl)-2-methylpyridinium bis(maleonitriledithiolato)nickelate(III)","Acta Crystallographica Section E","2006","62","4","m936","m938","10.1107/S1600536806010993","","","0.71073","MoKα","","0.0774","0.0591","","","0.1463","0.1571","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208730","12.8179","0.0004","25.555","0.0006","3.9175","0.0001","90","","90","","90","","1283.22","0.06","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-(4-Chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C64 H52 Cl4 O8 -","4","1","SJ2028","Harrison, William T. A.; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Indira, J.","1-(4-Chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1647","o1649","10.1107/S1600536806010865","","","0.71073","MoKα","","0.0337","0.0286","","","0.0685","0.0711","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208731","5.808","0.004","7.557","0.003","13.716","0.008","90","","92.39","0.06","90","","601.5","0.6","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-2-Ferrocenyl-4-hydroxymethyl-4,5-dihydrooxazole","","- C14 H15 Fe N O2 -","- C14 H15 Fe N O2 -","- C28 H30 Fe2 N2 O4 -","2","1","SJ6194","Matthew H. Todd; Motevalli, Majid; Shaimaa El-Fayyoumy; Chris Richards","(<i>R</i>)-2-Ferrocenyl-4-hydroxymethyl-4,5-dihydro-1,3-oxazole","Acta Crystallographica Section E","2006","62","4","m719","m720","10.1107/S1600536806006982","","","0.71073","MoKα","","0.078","0.0353","","","0.0687","0.0789","","","","","","1.026","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208732","5.3738","0.0014","3.9598","0.001","9.032","0.002","90","","97.258","0.003","90","","190.65","0.08","153","2","153","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","uranium triselenide","uranium trisulfide","","- S3 U -","- S3 U -","- S6 U2 -","2","0.5","SQ3008","Jung-eun Kwak; Danielle L. Gray; Hoseop Yun; James A. Ibers","Uranium trisulfide, US~3~","Acta Crystallographica Section E","2006","62","4","i86","i87","10.1107/S1600536806007409","","","0.71073","MoKα","","0.0314","0.0308","","","0.0842","0.0851","","","","","","1.158","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208733","9.269","0.002","10.333","0.002","12.264","0.003","90","","110.647","0.007","90","","1099.2","0.4","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,4,10,13-Tetraoxa-7,16-diazoniacyclooctadecane bis(hexafluorophosphate)","","- C12 H28 F12 N2 O4 P2 -","- C12 H28 F12 N2 O4 P2 -","- C24 H56 F24 N4 O8 P4 -","2","0.5","SQ3010","Janzen, Daron E.; Botros, Maikel E.; Helton, Gregory P.; VanDerveer, Donald G.; Grant, Gregory J.","1,4,10,13-Tetraoxa-7,16-diazoniacyclooctadecane bis(hexafluorophosphate): PF~6~^{-^} acting as a pseudohalide","Acta Crystallographica Section E","2006","62","4","o1550","o1552","10.1107/S1600536806009342","","","0.71073","MoKα","","0.0551","0.0505","","","0.1262","0.1302","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208734","6.7895","0.0002","14.5013","0.0004","24.8565","0.0008","90","","90","","90","","2447.29","0.13","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","bis(2-amino-3-hydroxy-1-phenylpropanolato-κ^2^N,O^1^)(ethylenediamine- κ^2^N,N')cobalt(III) iodide monohydrate","","- C20 H34 Co I N4 O5 -","- C20 H34 Co I N4 O5 -","- C80 H136 Co4 I4 N16 O20 -","4","1","TK2007","Benson, Ronald E.; Clearfield, Abraham; Daniels, Lee M.; Wardeska, Jeff G.","Redetermination of bis(2-amino-3-hydroxy-1-phenylpropanolato-κ^2^<i>N</i>,<i>O</i>^1^)(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) iodide monohydrate","Acta Crystallographica Section E","2006","62","4","m696","m698","10.1107/S1600536806007197","","","0.71073","MoKα","","0.03","0.027","","","0.061","0.062","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2208735","11.029","0.0015","13.7614","0.0018","16.443","0.002","87.785","0.006","85.082","0.007","88.85","0.006","2484.2","0.6","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","1,6,11,16,18,26,36,44,48,58-Decakis(trifluoromethyl)-1,6,11,16,18,26,36,44, 48,58-decahydro(C~60~-I~h~)[5,6]fullerene benzene hemisolvate","","- C73 H3 F30 -","- C73 H3 F30 -","- C146 H6 F60 -","2","1","TK2008","Kareev, Ivan E.; Lebedkin, Sergey F.; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.; Boltalina, Olga V.","1,6,11,16,18,26,36,44,48,58-Decakis(trifluoromethyl)-1,6,11,16,18,26,36,44,48,58-decahydro(C~60~‒<i>I</i>~h~)[5,6]fullerene benzene hemisolvate","Acta Crystallographica Section E","2006","62","4","o1498","o1500","10.1107/S1600536806008312","","","0.71073","MoKα","","0.062","0.045","","","0.117","0.13","","","","","","1.03","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208736","18.0971","0.0011","16.2516","0.001","15.3735","0.0009","90","","90","","90","","4521.5","0.5","100","1","100","1","","","","","","","","2","P b c n","-P 2n 2ab","60","","1,6,12,15,18,23,25,41,45,57-Decakis(trifluoromethyl)- 1,6,12,15,18,23,25,41,45,57-decahydro(C~60~-I~h~)[5,6]fullerene","","- C70 F30 -","- C70 F30 -","- C280 F120 -","4","0.5","TK2009","Kareev, Ivan E.; Lebedkin, Sergey F.; Popov, Alexey A.; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.; Boltalina, Olga V.","1,6,12,15,18,23,25,41,45,57-Decakis(trifluoromethyl)-1,6,12,15,18,23,25,41,45,57-decahydro(C~60~‒<i>I</i>~h~)[5,6]fullerene","Acta Crystallographica Section E","2006","62","4","o1501","o1503","10.1107/S1600536806008300","","","0.71073","MoKα","","0.077","0.047","","","0.111","0.129","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208737","13.079","0.005","9.611","0.004","18.572","0.007","90","","102.757","0.008","90","","2276.9","1.5","292","2","292","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,3-bis(4-methoxybenzoyl)succinate","","- C24 H26 O8 -","- C24 H26 O8 -","- C96 H104 O32 -","4","1","TK2011","Liu, Hong-Xia; Wang, Zhi-Guo; Wu, An-Xin","Diethyl 2,3-bis(4-methoxybenzoyl)succinate","Acta Crystallographica Section E","2006","62","4","o1284","o1285","10.1107/S1600536806007689","","","0.71073","MoKα","","0.072","0.056","","","0.14","0.151","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208738","9.854","0.0001","7.109","0.0001","23.933","0.0003","90","","91.59","0.002","90","","1675.91","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-(2-Chloroquinolin-3-yl)-2-[(S)-α-methylbenzylamino]acetonitrile","","- C19 H16 Cl N3 -","- C19 H16 Cl N3 -","- C76 H64 Cl4 N12 -","4","2","TK2012","Ali, Belfaitah; Souheila, Ladraa; Abdelmalek, Bouraiou; Nourredine, Benali-Cherif; Abdelmadjid, Debache; Salah, Rhouati","(<i>S</i>)-2-(2-Chloroquinolin-3-yl)-2-[(<i>S</i>)-α-methylbenzylamino]acetonitrile","Acta Crystallographica Section E","2006","62","4","o1355","o1357","10.1107/S1600536806007744","","","0.71073","MoKα","","0.117","0.055","","","0.079","0.093","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208739","8.5042","0.0001","13.1544","0.0002","19.8188","0.0004","90","","101.977","0.0007","90","","2168.82","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Undecacarbonyl(pyridine-κN)-tetrahedro-tetrairidium(4 Ir—Ir)","","- C16 H5 Ir4 N O11 -","- C16 H5 Ir4 N O11 -","- C64 H20 Ir16 N4 O44 -","4","1","TK2014","Alvaro J. Pardey; Manoa A. Moreno; Matthias Lutz; Matti Haukka; Reinaldo Atencio","Undecacarbonyl(pyridine-κ<i>N</i>)-<i>tetrahedro</i>-tetrairidium(4Ir—Ir)","Acta Crystallographica Section E","2006","62","4","m838","m840","10.1107/S1600536806009780","","","0.71073","MoKα","","0.045","0.037","","","0.087","0.09","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208740","8.377","0.0013","9.603","0.0015","11.67","0.0018","90","","105.286","0.002","90","","905.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","tetraaquadipyridylcobalt(II) acetate","","- C14 H24 Co N2 O8 -","- C14 H24 Co N2 O8 -","- C28 H48 Co2 N4 O16 -","2","0.5","TK2017","Clegg, Jack K.; Hayter, Michael J.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Tetraaquabis(pyridine-κ<i>N</i>)cobalt(II) diacetate","Acta Crystallographica Section E","2006","62","4","m873","m874","10.1107/S1600536806010257","","","0.71073","MoKα","","0.026","0.023","","","0.063","0.065","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2208741","7.2542","0.0008","19.542","0.002","11.2855","0.0011","90","","90","","90","","1599.9","0.3","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Ethyl 5-bromo-9-ethoxy-2-oxo-2H-pyrano[2,3-g]quinoline-8-carboxylate","","- C17 H14 Br N O5 -","- C17 H14 Br N O5 -","- C68 H56 Br4 N4 O20 -","4","1","WK2003","César D. de Oliveira; Gilberto A. Romeiro; Janet M. S. Skakle; James L. Wardell; Solange M. S. V. Wardell","Ethyl 5-bromo-9-ethoxy-2-oxo-2<i>H</i>-pyrano[2,3-<i>g</i>]quinoline-8-carboxylate","Acta Crystallographica Section E","2006","62","4","o1492","o1493","10.1107/S1600536806007148","","","0.71073","MoKα","","0.0865","0.0324","","","0.0594","0.0688","","","","","","0.803","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208742","7.148","0.0009","19.653","0.003","11.115","0.0014","90","","90","","90","","1561.4","0.4","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Ethyl 5-chloro-9-ethoxy-2-oxo-2H-pyrano[2,3-g]quinoline-8-carboxylate","","- C17 H14 Cl N O5 -","- C17 H14 Cl N O5 -","- C68 H56 Cl4 N4 O20 -","4","1","WK2004","César D. de Oliveira; Gilberto A. Romeiro; Janet M. S. Skakle; James L. Wardell; Solange M. S. V. Wardell","Ethyl 5-chloro-9-ethoxy-2-oxo-2<i>H</i>-pyrano[2,3-<i>g</i>]quinoline-8-carboxylate","Acta Crystallographica Section E","2006","62","4","o1494","o1495","10.1107/S160053680600715X","","","0.71073","MoKα","","0.2017","0.0518","","","0.0554","0.0756","","","","","","0.791","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208743","9.7969","0.0001","9.7969","0.0001","19.3973","0.0004","90","","90","","120","","1612.31","0.04","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","holmium indium molybdenum selenide","","- Ho0.76 In1.68 Mo15 Se19 -","- Ho0.7659 In1.684 Mo15 Se19 -","- Ho1.5318 In3.368 Mo30 Se38 -","2","0.166667","WM2003","Salloum, D.; Gougeon, P.; Potel, M.","Ho~0.76~In~1.68~Mo~15~Se~19~","Acta Crystallographica Section E","2006","62","4","i83","i85","10.1107/S1600536806007446","","","0.71069","MoKα","","0.0771","0.0402","","","0.0768","0.0877","","","","","","1.067","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208744","9.8155","0.0015","5.8212","0.0008","12.0041","0.0018","90","","90","","90","","685.89","0.17","509","2","509","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dipotassium heptafluorotantalate(V)","","- F7 K2 Ta -","- F7 K2 Ta -","- F28 K8 Ta4 -","4","0.5","WM2004","Vratislav Langer; Łubomír Smrčok; Miroslav Boča","Dipotassium heptafluorotantalate(V), β-K~2~TaF~7~, at 509 K","Acta Crystallographica Section E","2006","62","4","i91","i93","10.1107/S1600536806009147","","","0.71073","MoKα","","0.1218","0.0711","","","0.1871","0.2204","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208745","8.2088","0.0014","18.579","0.004","3.8188","0.0008","90","","90","","90","","582.4","0.2","291","2","291","2","","","","","","","","3","P b a m","-P 2 2ab","55","cerium platinum indide","pentacerium diplatinum tetraindide","","- Ce5 In4 Pt2 -","- Ce5 In4 Pt2 -","- Ce10 In8 Pt4 -","2","0.25","WM2005","Tursina, Anna I.; Kurenbaeva, Zhanaphiya M.; Shtepa, Denis V.; Nesterenko, Sergei N.; Noël, Henri","A new ternary indide, Ce~5~Pt~2~In~4~, with the Lu~5~Ni~2~In~4~ structure type","Acta Crystallographica Section E","2006","62","4","i80","i82","10.1107/S1600536806007264","","","0.71073","MoKα","","0.0588","0.0365","","","0.1014","0.1152","","","","","","0.821","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208746","5.8744","0.0003","5.1087","0.0003","8.2581","0.0005","90","","90","","90","","247.83","0.02","296","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","lanthanum orthoborate","","- B La O3 -","- B La O3 -","- B4 La4 O12 -","4","0.5","WM2006","Nakatsuka, Akihiko; Ohtaka, Osamu; Arima, Hiroshi; Nakayama, Noriaki; Mizota, Tadato","Aragonite-type lanthanum orthoborate, LaBO~3~","Acta Crystallographica Section E","2006","62","4","i103","i105","10.1107/S1600536806010142","","","0.71069","MoKα","","","0.0174","","","","0.0292","","","","","","1.983","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208747","4.9855","0.0003","4.9855","0.0003","20.317","0.002","90","","90","","120","","437.33","0.06","120","2","120","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","uranium pentacopper stannide","","- Cu4.63 Sn U -","- Cu4.6275 Sn U -","- Cu18.51 Sn4 U4 -","4","0.166667","WM2010","Bobev, Svilen; Bauer, Eric D.; Sarrao, John L.","Copper deficiency in UCu~5{-~<i>x</i>}Sn [<i>x</i> = 0.37(1)]","Acta Crystallographica Section E","2006","62","4","i106","i108","10.1107/S1600536806011159","","","0.71073","MoKα","","0.0314","0.0287","","","0.0759","0.0788","","","","","","1.165","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208748","6.6075","0.0013","6.6371","0.0013","6.7887","0.0014","95.82","0.03","115.13","0.03","82.24","0.03","266.75","0.11","292","2","292","2","","","","","","","","3","P -1","-P 1","2","Cadmium diphosphate","Cadmium diphosphate","","- Cd2 O7 P2 -","- Cd2 O7 P2 -","- Cd4 O14 P4 -","2","1","WM6128","Bouchelaghem, Wahiba; Benloucif, Med Rida; Mayoufi, Moussa; Benmoussa, Amar; Schenk, Kurt J.","Reinvestigation of cadmium diphosphate","Acta Crystallographica Section E","2006","62","4","i99","i102","10.1107/S1600536806008397","","","0.71073","MoKα","","0.0236","0.0221","","","0.0547","0.0554","","","","","","1.251","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208749","8.1412","0.0005","17.2919","0.0019","16.434","0.002","90","","90","","90","","2313.5","0.4","295","2","","","","","","","","","","3","P 21 c n","P -2n 2a","33","Bis(9-ethylcarbazol-3-yl)ethane","Bis(9-ethyl-9H-carbazol-3-yl)ethane","","- C30 H28 N2 -","- C30 H28 N2 -","- C120 H112 N8 -","4","1","WN2005","Asker, Erol; Masnovi, John","Bis(9-ethylcarbazol-3-yl)ethane","Acta Crystallographica Section E","2006","62","4","o1213","o1215","10.1107/S1600536806005538","","","0.71073","MoKα","","0.1352","0.0564","","","0.1099","0.1321","","","","","","0.921","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208750","12.609","0.002","13.235","0.003","9.689","0.002","90","","90","","90","","1616.9","0.6","299","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(R)-1-Phenylethanaminium‒(S,S)-2,3-dibromosuccinate‒ (R,R)-2,3-dibromosuccinic acid‒water (2/1/1/2)","","- C12 H17 Br2 N O5 -","- C12 H17 Br2 N O5 -","- C48 H68 Br8 N4 O20 -","4","1","WN2006","Andreas Fischer","(<i>R</i>)-1-Phenylethanaminium‒(<i>S</i>,<i>S</i>)-2,3-dibromosuccinate‒(<i>R</i>,<i>R</i>)-2,3-dibromosuccinic acid‒water (2/1/1/2)","Acta Crystallographica Section E","2006","62","4","o1281","o1283","10.1107/S1600536806007628","","","0.71073","MoKα","","0.104","0.059","","","0.099","0.12","","","","","","1.21","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208751","23.44","0.005","7.5873","0.0015","3.996","0.0008","90","","90","","90","","710.7","0.3","293","","293","","","","","","","","","4","P m n 21","P 2ac -2","31","","Diquino[3,4-b;4',3'-e][1,4]dithiine","","- C18 H10 N2 S2 -","- C18 H10 N2 S2 -","- C36 H20 N4 S4 -","2","0.5","WN2007","Céline Besnard; Christian Kloc; Theo Siegrist; Christer Svensson; Krystian Pluta","Diquino[3,4-<i>b</i>;4',3'-<i>e</i>][1,4]dithiine","Acta Crystallographica Section E","2006","62","4","o1333","o1335","10.1107/S1600536806007793","","","0.902","Synchrotron","","0.034","0.034","","0.0766","0.0766","0.0766","","","","","","0.9641","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208752","17.576","0.003","10.5434","0.0018","20.834","0.004","90","","111.674","0.003","90","","3587.8","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,5-bis(4-pyridyl)-1,3,4-oxadiazole‒pyridine-2,3-dicarboxylic acid (1/1)","","- C19 H13 N5 O5 -","- C19 H13 N5 O5 -","- C152 H104 N40 O40 -","8","1","WN2008","Yong-Tao Wang; Gui-Mei Tang; Xu-Yang Qin","1:1 Cocrystal of 2,5-bis(4-pyridyl)-1,3,4-oxadiazole and pyridine-2,3-dicarboxylic acid","Acta Crystallographica Section E","2006","62","4","o1496","o1497","10.1107/S1600536806008208","","","0.71073","MoKα","","0.0476","0.0433","","","0.123","0.1285","","","","","","1.034","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208753","12.571","0.0013","15.6745","0.0016","15.7618","0.0016","90","","90","","90","","3105.8","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Betulin diacetate","20(29)-Lupene-3β, 28β-diacetate","","- C34 H54 O4 -","- C34 H54 O4 -","- C136 H216 O16 -","4","1","WN2009","Itedal El Tahir; M. Iqbal Choudhary; Shamsher Ali; Shazia Anjum; Atta-ur-Rahman","20(29)-Lupene-3β,28β-diacetate","Acta Crystallographica Section E","2006","62","4","o1352","o1354","10.1107/S1600536806008233","","","0.71073","MoKα","","0.0451","0.042","","","0.1146","0.1184","","","","","","1.039","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208754","13.121","0.004","6.4876","0.0019","8.406","0.002","90","","104.023","0.005","90","","694.2","0.3","294","2","294","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","1,1'-ethylenebis(4-aminopyridinium) dibromide","","- C12 H16 Br2 N4 -","- C12 H16 Br2 N4 -","- C24 H32 Br4 N8 -","2","0.25","WN2010","Liu, Yan-Min; Liu, Chun-Yan; Meng, Ai-Guo","1,1'-Ethylenebis(4-aminopyridinium) dibromide","Acta Crystallographica Section E","2006","62","4","o1350","o1351","10.1107/S1600536806007975","","","0.71073","MoKα","","0.0681","0.0555","","","0.1482","0.1567","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208755","24.9624","0.0007","3.8201","0.0001","13.723","0.0004","90","","95.43","0.001","90","","1302.74","0.06","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one","","- C15 H9 Cl3 O -","- C15 H9 Cl3 O -","- C60 H36 Cl12 O4 -","4","1","WN2012","P. S. Patil; Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; S. M. Dharmaprakash","3-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1463","o1465","10.1107/S1600536806009226","","","0.71073","MoKα","","0.0779","0.0486","","","0.1138","0.1373","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208756","8.2976","0.0012","8.7112","0.0013","8.8015","0.0013","103.661","0.002","103.909","0.002","91.718","0.002","597.52","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-1,2-dinitrobenzene‒1,4-dioxane (1/1)","","- C10 H11 Cl N2 O6 -","- C10 H11 Cl N2 O6 -","- C20 H22 Cl2 N4 O12 -","2","1","WN2016","Barnett, Sarah A.; Pradon, Juliette; Lewis, Thomas C.; Tocher, Derek A.","1-Chloro-3,4-dinitrobenzene‒1,4-dioxane (1/1)","Acta Crystallographica Section E","2006","62","4","o1662","o1663","10.1107/S1600536806011226","","","0.71073","MoKα","","0.0317","0.0307","","","0.0834","0.0843","","","","","","1.072","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2208757","5.9341","0.0001","7.9193","0.0001","27.2996","0.0004","89.938","0.001","85.622","0.001","82.357","0.001","1267.75","0.03","100","0.1","297","2","","","","","","","","5","P -1","-P 1","2","3-(4-bromophenyl)-1-(4-nitrophenyl)propenone","3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C15 H10 Br N O3 -","- C15 H10 Br N O3 -","- C60 H40 Br4 N4 O12 -","4","2","WW2005","Rosli, Mohd Mustaqim; Patil, P. S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Dharmaprakash, S. M.","3-(4-Bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1466","o1468","10.1107/S1600536806009263","","","0.71073","MoKα","","0.0466","0.0325","","","0.0755","0.0848","","","","","","1.108","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208758","10.0889","0.0018","10.8104","0.0019","15.884","0.003","77.896","0.003","72.353","0.003","84.459","0.003","1613.2","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","9-(Tolyl-4-sulfonyl)-9H-carbazole","","- C19 H15 N O2 S -","- C19 H15 N O2 S -","- C76 H60 N4 O8 S4 -","4","2","WW2011","Li, Ning; Huang, Peng-Mian; Xiong, Xiao-Li","9-(<i>p</i>-Tolylsulfonyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","4","o1539","o1540","10.1107/S1600536806009834","","","0.71073","MoKα","","0.0753","0.0432","","","0.1057","0.1251","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208759","7.542","0.002","24.569","0.005","15.493","0.003","90","","90","","90","","2870.8","1.1","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","aquachloro(nitrilotriacetato-κ^2^N,O)copper(II) 18-crown-6-ether trihydrate","","- C18 H40 Cl Cu N O16 -","- C18 H38 Cl Cu N O16 -","- C72 H152 Cl4 Cu4 N4 O64 -","4","0.5","WW6365","Jiang, Yun-Bo; Kou, Hui-Zhong; Wang, Ru-Ji; Cui, Ai-Li","A sandwich strand supramolecular complex: aquachloro(nitrilotriacetato-κ^2^<i>N</i>,<i>O</i>)copper(II) 18-crown-6-ether trihydrate","Acta Crystallographica Section E","2006","62","4","m804","m806","10.1107/S1600536806008427","","","0.71073","MoKα","","0.0434","0.0368","","","0.0744","0.0763","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208760","12.868","0.003","25.435","0.006","9.08","0.002","90","","116.579","0.003","90","","2657.8","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(N,N-dicyclohexylthiocarbamoyl) disulfide","","- C26 H44 N2 O2 S2 -","- C26 H44 N2 O2 S2 -","- C104 H176 N8 O8 S8 -","4","0.5","WW6458","Li, Feng; Yin, Han-Dong; Hong, Min; Zhai, Jun; Wang, Da-Qi","Bis(<i>N</i>,<i>N</i>-dicyclohexylthiocarbamoyl) disulfide","Acta Crystallographica Section E","2006","62","4","m1417","m1418","10.1107/S1600536806008592","","","0.71073","MoKα","","0.0828","0.0468","","","0.1064","0.1273","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208761","10.1147","0.0004","18.8215","0.0008","23.4907","0.0009","90","","90","","90","","4472","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dicatharanthinium (2R,3R)-tartrate trihydrate","bis(methyl 3,4-didehydroibogamin-6-ium-18-carboxylate) (2R,3R)-tartrate trihydrate","","- C46 H60 N4 O13 -","- C46 H60 N4 O13 -","- C184 H240 N16 O52 -","4","1","WW6476","Pei, Sai-Feng; Sun, Cui-Rong; Hu, Mao-Lin; Pan, Yuan-Jiang","Dicatharanthinium (2<i>R</i>,3<i>R</i>)-tartrate trihydrate","Acta Crystallographica Section E","2006","62","4","o1414","o1416","10.1107/S1600536806008713","","","0.71073","MoKα","","0.076","0.0631","","","0.1301","0.1359","","","","","","1.185","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208762","43.971","0.003","11.0785","0.0007","27.6079","0.0016","90","","120.042","0.003","90","","11642","1.3","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N-(2',7'-Di-tert-butyl-9,9'-spirobifluoren-2-yl)aniline","","- C39 H37 N -","- C39 H37 N -","- C624 H592 N16 -","16","2","WW6477","Huang, Ping-Hsin; Shen, Jiun-Yi; Huang, Tai-Hsiang; Wen, Yuh-Sheng; Lu, Kwa-Nan","<i>N</i>-(2',7'-Di-<i>tert</i>-butyl-9,9'-spirobifluoren-2-yl)aniline","Acta Crystallographica Section E","2006","62","4","o1358","o1359","10.1107/S1600536806008439","","","0.71073","MoKα","","0.0867","0.0455","","","0.0907","0.1032","","","","","","0.891","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208763","9.8988","0.0002","19.3898","0.0004","14.4606","0.0003","90","","93.866","0.001","90","","2769.19","0.1","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,8-Bis(diphenylamino)-5H-5λ^6^-dibenzothiophene 5,5-dioxide","","- C36 H26 N2 O2 S -","- C36 H26 N2 O2 S -","- C144 H104 N8 O8 S4 -","4","1","WW6479","Huang, Ping-Hsin; Huang, Tai-Hsiang; Shen, Jiun-Yi; Wen, Yuh-Sheng","2,8-Bis(diphenylamino)-5<i>H</i>-5λ^6^-dibenzo[<i>b</i>,<i>d</i>]thiophene 5,5-dioxide","Acta Crystallographica Section E","2006","62","4","o1317","o1318","10.1107/S1600536806008087","","","0.71073","MoKα","","0.0455","0.0363","","","0.0869","0.0923","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208764","3.8044","0.0002","15.0015","0.0011","11.6159","0.0008","90","","90.658","0.004","90","","662.9","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E,E)-1-(3-Iodophenyl)-4-(3-nitrophenyl)-2,3-diazabuta-1,3-diene","","- C14 H10 I0.82 N3.18 O2.34 -","- C14 H10 I0.826 N3.174 O2.348 -","- C28 H20 I1.652 N6.348 O4.696 -","2","0.5","XU2005","Low, John N.; Skakle, Janet M. S.; Wardell, James L.; Glidewell, Christopher","(<i>E</i>,<i>E</i>)-1-(3-Iodophenyl)-4-(3-nitrophenyl)-2,3-diazabuta-1,3-diene","Acta Crystallographica Section E","2006","62","4","o1399","o1401","10.1107/S1600536806008701","","","0.71073","MoKα","","0.07","0.054","","","0.122","0.126","","","","","","1.323","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208765","6.3243","0.0004","4.8633","0.0003","11.3322","0.0009","90","","92.042","0.014","90","","348.32","0.04","","","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tetraformaltrisazine","1,2,3,4,5,6,7,8-Octahydro-1,2,4,5-tetrazino[1,2-a][1,2,4,5]tetrazine","","- C4 H12 N6 -","- C4 H12 N6 -","- C8 H24 N12 -","2","0.5","XU2006","Dmitry V. Albov; Adnan Jassem; Anatoly I. Kuznetsov","An independent refinement of H-atom coordinates from laboratory X-ray powder data in tetraformaltrisazine","Acta Crystallographica Section E","2006","62","4","o1449","o1451","10.1107/S1600536806008737","","","1.54059","CuKα~1~","","","","","","","","","","2.87","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208766","7.0106","0.0017","7.643","0.002","9.846","0.001","108.522","0.007","100.469","0.008","102.125","0.009","471.19","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[1,2-ethylenediammonium [[nitratouranyl]-μ~3~-phosphito] dihydrate]","","- C2 H16 N4 O18 P2 U2 -","- C2 H16 N4 O18 P2 U2 -","- C2 H16 N4 O18 P2 U2 -","1","0.5","XU2007","Xu, Jian-Fu; Chen, Ping; Zhuang, Rubin; Huang, Chang-Cang; Zhang, Han-Hui","<i>catena</i>-Poly[1,2-ethylenediammonium [[nitratouranyl]-μ~3~-phosphito] dihydrate]","Acta Crystallographica Section E","2006","62","4","m763","m764","10.1107/S1600536806008476","","","0.71073","MoKα","","0.028","0.025","","","0.077","0.078","","","","","","1.173","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208767","5.794","0.003","10.222","0.004","10.227","0.005","75.1","0.007","87.398","0.006","81.956","0.006","579.6","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Bis(3-ethoxy-4-hydroxybenzaldehyde thiosemicarbazonato-κ^2^S,N)nickel(II) monohydrate","","- C20 H26 N6 Ni O5 S2 -","- C20 H24 N6 Ni O5 S2 -","- C20 H24 N6 Ni O5 S2 -","1","0.5","XU2008","Jiang, Li-Fang; Huang, Zun-Xing; Chen, Jia-Hong","Bis(3-ethoxy-4-hydroxybenzaldehyde thiosemicarbazonato-κ^2^<i>S</i>,<i>N</i>)nickel(II) monohydrate","Acta Crystallographica Section E","2006","62","4","m799","m800","10.1107/S1600536806008348","","","0.71073","MoKα","","0.069","0.053","","","0.132","0.142","","","","","","0.969","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208768","9.4941","0.0019","7.6031","0.0015","23.408","0.005","90","","97.73","0.03","90","","1674.3","0.6","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Trisaqua(2,2^'^-bipyridine)maleatonickel(II)] hydrate","","- C14 H18 N2 Ni O8 -","- C14 H18 N2 Ni O8 -","- C56 H72 N8 Ni4 O32 -","4","1","XU2010","Mingtian Li; Xucheng Fu; Chenggang Wang","Triaqua(2,2'-bipyridine)maleatonickel(II) monohydrate","Acta Crystallographica Section E","2006","62","4","m865","m866","10.1107/S1600536806010269","","","0.71073","MoKα","","0.064","0.051","","","0.132","0.141","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208769","8.718","0.002","20.264","0.006","7.882","0.002","90","","90","","90","","1392.4","0.6","294","2","294","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(2S,3S,5R)-3,5-dimethyl-2-(3-chlorophenyl)-2-morpholinolium chloride","","- C12 H17 Cl2 N O2 -","- C12 H17 Cl2 N O2 -","- C48 H68 Cl8 N4 O8 -","4","1","XU2012","Ai-Xi Hu; Gao Cao; Xin-Rong Xiao; Hong-Yan Wu","(2<i>S</i>,3S,5<i>R</i>)-2-(3-Chlorophenyl)-2-hydroxy-3,5-dimethyl-2-morpholinium chloride","Acta Crystallographica Section E","2006","62","4","o1584","o1585","10.1107/S1600536806010361","","","0.71073","MoKα","","0.054","0.035","","","0.073","0.081","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208770","6.056","0.0003","7.8659","0.0004","24.2289","0.0014","90","","92.542","0.003","90","","1153.03","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran","","- C14 H10 Br F O -","- C14 H10 Br F O -","- C56 H40 Br4 F4 O4 -","4","1","XU2018","Harrison, William T. A.; Gaonkar, S. L.; Anilkumar, H. G.; Yathirajan, H. S.","5-Bromo-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran","Acta Crystallographica Section E","2006","62","4","o1534","o1535","10.1107/S1600536806009810","","","0.71073","MoKα","","0.084","0.041","","","0.068","0.079","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208771","9.013","0.003","9.135","0.003","16.696","0.005","75.872","0.005","85.269","0.005","77.666","0.005","1301.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-methylimidazolium) bis(2-methylimidazole-κN)bis(salicylato-κ^2^O,O')manganese(III) bis(methanol-κO)bis(salicylato-κ^2^O,O')manganese(III) methanol disolvate","","- C48 H58 Mn2 N8 O16 -","- C48 H58 Mn2 N8 O16 -","- C48 H58 Mn2 N8 O16 -","1","0.5","XU6083","Lu-Tong Yuan; Zuo-Xiang Wang; An-Yu Zhou; Chun-Yi Liu; Xiao-Yong Chou","Bis(2-methylimidazolium) bis(2-methylimidazole-κ<i>N</i>)bis(salicylato-κ^2^<i>O</i>,<i>O</i>')manganese(III) bis(methanol-κ<i>O</i>)bis(salicylato-κ^2^<i>O</i>,<i>O</i>')manganese(III) methanol disolvate","Acta Crystallographica Section E","2006","62","4","m887","m888","10.1107/S1600536806004430","","","0.71073","MoKα","","0.082","0.056","","","0.122","0.128","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208772","12.8017","0.0006","14.3637","0.0007","17.3859","0.0008","101.584","0.0009","94.1351","0.0009","92.3054","0.0009","3118.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-acetone-κ^2^O:O-bis[(acetone-κO)aqualithium(I)] di-μ-acetone-κ^2^O:O-bis[diaqualithium(I)] tetrakis{[phthalocyaninato(2-)-κ^4^N,N',N'',N''']lithiate(I)}","","- C146 H112 Li8 N32 O12 -","- C146 H112 Li8 N32 O12 -","- C146 H112 Li8 N32 O12 -","1","0.5","XU6105","Grossie, David A.; Feld, William A.; Scanlon, Lawrence; Sandi, Giselle; Wawrzak, Zdzislaw","Di-μ-acetone-κ^2^<i>O</i>:<i>O</i>-bis[(acetone-κ<i>O</i>)aqualithium(I)] di-μ-acetone-κ^2^<i>O</i>:<i>O</i>-bis[diaqualithium(I)] tetrakis{[phthalocyaninato(2{-})-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']lithiate(I)}","Acta Crystallographica Section E","2006","62","4","m827","m829","10.1107/S1600536806008488","","","0.71073","MoKα","","0.058","0.049","","","0.127","0.136","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208773","28.3243","0.0009","11.4545","0.0003","7.668","0.0002","90","","90","","90","","2487.81","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(2-phenethyl)phthalimide","2-phenethylisoindoline-1,3-dione","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","1","YA2002","Warzecha, Klaus-Dieter; Lex, Johann; Neudörfl, Jörg M.; Griesbeck, Axel G.","<i>N</i>-(2-Phenethyl)phthalimide","Acta Crystallographica Section E","2006","62","4","o1580","o1581","10.1107/S1600536806010154","","","0.71073","MoKα","","0.081","0.041","","","0.083","0.095","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208774","24.513","0.002","9.4679","0.0007","19.6","0.001","90","","102.14","0.006","90","","4447.2","0.5","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[N-(quinolin-8-yl)-2,4,6-triisopropylbenzene-sulfonamidato-κ^2^N,\ N'] copper(II)","","- C48 H58 Cu N4 O4 S2 -","- C48 H58 Cu N4 O4 S2 -","- C192 H232 Cu4 N16 O16 S8 -","4","0.5","YA2004","da Silva, Luiz Everson; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","Bis[2,4,6-triisopropyl-<i>N</i>-(quinolin-8-yl)benzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']copper(II)","Acta Crystallographica Section E","2006","62","4","m912","m913","10.1107/S1600536806010920","","","0.71073","MoKα","","0.06","0.043","","","0.118","0.126","","","","","","1.02","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208775","11.4799","0.001","11.5301","0.001","16.9116","0.0015","90","","96.499","0.002","90","","2224.1","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexamethylenediammonium bis(saccharinate)","","- C20 H26 N4 O6 S2 -","- C20 H20 N4 O6 S2 -","- C80 H80 N16 O24 S8 -","4","1","YA6280","Wang, Zi-Liang; Wei, Lin-Heng; Li, Ming-Xue; Niu, Jing-Yang","Hexamethylenediammonium bis(saccharinate): supramolecular assembly <i>via</i> hydrogen bonds","Acta Crystallographica Section E","2006","62","4","o1314","o1316","10.1107/S1600536806008051","","","0.71073","MoKα","","0.063","0.052","","","0.154","0.163","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2208776","5.332","0.0002","8.4865","0.0003","15.7238","0.0008","90","","90","","90","","711.5","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Deoxy-D-galactono-1,4-lactone (3-deoxy-D-xylo-hexono-1,4-lactone)","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","YA6281","Punzo, Francesco; Watkin, David J.; Hotchkiss, David; Fleet, George W. J.","3-Deoxy-<small>D</small>-galactono-1,4-lactone (3-deoxy-<small>D</small>-<i>xylo</i>-hexono-1,4-lactone)","Acta Crystallographica Section E","2006","62","4","o1344","o1346","10.1107/S1600536806008099","","","0.71073","MoKα","","0.026","0.024","","0.059","0.058","0.059","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208777","9.3972","0.0014","22.87","0.003","10.4065","0.0016","90","","105.976","0.002","90","","2150.1","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-[5-amino-1-tert-butyl-3-(methylsulfanyl)-1H-pyrazole-4-carbonyl]-5-methyl- 3-(methylsulfanyl)-1H-pyrazole-4-carboxylate","","- C17 H25 N5 O3 S2 -","- C17 H25 N5 O3 S2 -","- C68 H100 N20 O12 S8 -","4","1","AC2011","Jun-Fei Li; Hai-Bin Song; You-Quan Zhu; Hua-Zheng Yang","Ethyl 1-[5-amino-1-<i>tert</i>-butyl-3-(methylsulfanyl)-1<i>H</i>-pyrazole-4-carbonyl]-5-methyl-3-(methylsulfanyl)-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section E","2006","62","5","o1679","o1681","10.1107/S1600536806011500","","","0.71073","MoKα","","0.0663","0.043","","","0.1043","0.1174","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208778","13.905","0.002","12.108","0.003","19.079","0.003","90","","90.717","0.015","90","","3211.9","1","120","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","Hexakis(dimethylformamide-κO)magnesium tetrachloromagnesium","","- C18 H42 Cl4 Mg2 N6 O6 -","- C18 H42 Cl4 Mg2 N6 O6 -","- C72 H168 Cl16 Mg8 N24 O24 -","4","2","AC2013","Barker, Bobby L.; Aubry, David; Fronczek, Frank R.; Watkins,Steven F.; Stanley, George G.","Hexakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)magnesium tetrachloromagnesate","Acta Crystallographica Section E","2006","62","5","m942","m944","10.1107/S1600536806011123","","","0.71073","MoKα","","","0.0347","","","","0.0679","","","","","","1.02","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208779","9.6242","0.0004","11.3971","0.0005","13.0605","0.0005","72.341","0.002","70.054","0.003","79.686","0.003","1278.62","0.1","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","Diaquabis(1,10-phenanthroline-κ^2^N,N')manganese(II) pentafluorooxoniobate","","- C24 H20 F5 Mn N4 Nb O3 -","- C24 H20 F5 Mn N4 Nb O3 -","- C48 H40 F10 Mn2 N8 Nb2 O6 -","2","1","AC2014","Zhu, Gang; Tang, Zong-Xun","Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) pentafluorooxoniobate(V)","Acta Crystallographica Section E","2006","62","5","m1018","m1020","10.1107/S1600536806012591","","","0.71073","MoKα","","0.0504","0.0333","","","0.0866","0.0922","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208780","14.139","0.004","9.367","0.003","7.124","0.002","90","","98.652","0.004","90","","932.8","0.5","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium 2-methyl-5-nitrobenzenesulfonate","","- C7 H6 K N O5 S -","- C7 H6 K N O5 S -","- C28 H24 K4 N4 O20 S4 -","4","1","AC2015","Yong-Rong Xie; Gui-Rong Lui; Xiao-Yong Yuan","Potassium 2-methyl-5-nitrobenzenesulfonate","Acta Crystallographica Section E","2006","62","5","m1016","m1017","10.1107/S1600536806012475","","","0.71073","MoKα","","0.0332","0.0267","","","0.0854","0.0897","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208781","7.8581","0.0014","8.4416","0.0019","7.602","0.002","108.05","0.03","93.71","0.02","70.139","0.014","450.5","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Poly[\-m-aqua-aqua-μ-3-carboxypyrazine-2-carboxylato-sodium(I)]","","- C6 H7 N2 Na O6 -","- C6 H7 N2 Na O6 -","- C12 H14 N4 Na2 O12 -","2","1","AT2010","Mustafa Tombul; Kutalmış Güven; Nazım Alkış","Poly[μ-aqua-aqua-μ-3-carboxypyrazine-2-carboxylato-sodium(I)]","Acta Crystallographica Section E","2006","62","5","m945","m947","10.1107/S1600536806008130","","","0.71069","MoKα","","0.0367","0.029","","","0.084","0.089","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208782","10.599","0.0014","10.9782","0.0014","31.017","0.004","90","","90","","90","","3609.1","0.8","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 5-amino-1-(5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonyl) -3-methyl-1H-pyrazole-4-carboxylate","","- C18 H20 N6 O3 -","- C18 H20 N6 O3 -","- C144 H160 N48 O24 -","8","1","AT2023","Jun-Fei Li; Hai-Bin Song; You-Quan Zhu; Hua-Zheng Yang","Ethyl 5-amino-1-(5-amino-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-ylcarbonyl)-3-methyl-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section E","2006","62","5","o1756","o1758","10.1107/S160053680601097X","","","0.71073","MoKα","","0.0812","0.0421","","","0.0957","0.1156","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208783","10.6469","0.0007","10.8127","0.0007","21.9501","0.0013","89.5","0.005","89.496","0.005","61.774","0.005","2226.3","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","4,4'-Dibenzyl-5,5'-(pyridine-2,6-diyl)bis(2,4-dihydro-3H-1,2,4-triazole- 3-thione)","","- C23 H19 N7 S2 -","- C23 H19 N7 S2 -","- C92 H76 N28 S8 -","4","2","AT2024","Demir, Sibel; Dinçer, Muharrem; Çetin, Ahmet; Dayan, Osman; Cansız, Ahmet","4,4'-Dibenzyl-5,5'-(pyridine-2,6-diyl)bis(3,4-dihydro-2<i>H</i>-1,2,4-triazole-3-thione)","Acta Crystallographica Section E","2006","62","5","o1822","o1823","10.1107/S1600536806012323","","","0.71073","MoKα","","0.0759","0.0381","","","0.084","0.0931","","","","","","0.904","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208784","12.525","0.003","7.8707","0.0016","15.427","0.003","90","","107.94","0.03","90","","1446.9","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Aqua(8-hydroxy-7-iodoquinoline-5-sulfonato-κ^2^N,O^8^)silver(I) dihydrate","","- C9 H11 Ag I N O7 S -","- C9 H11 Ag I N O7 S -","- C36 H44 Ag4 I4 N4 O28 S4 -","4","1","AT2027","Hai-Yan Liu; Hua Wu; Jian-Fang Ma","Aqua(8-hydroxy-7-iodoquinoline-5-sulfonato-κ^2^<i>N</i>,<i>O</i>^8^)silver(I) dihydrate","Acta Crystallographica Section E","2006","62","5","m1036","m1037","10.1107/S1600536806012943","","","0.71073","MoKα","","0.0369","0.0285","","","0.064","0.0675","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208785","10.3089","0.0009","11.3382","0.001","14.5056","0.0013","82.378","0.001","77.671","0.002","75.565","0.001","1598.4","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(1-naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine","","- C44 H32 N2 -","- C44 H32 N2 -","- C88 H64 N4 -","2","1","AT2028","Li-Qun Huang; Qian-Yong Cao; Chun Yi; Chang-Jian Yang; Xi-Cun Gao","<i>N</i>,<i>N</i>'-Bis(1-naphthyl)-<i>N</i>,<i>N</i>'-diphenyl-1,1'-biphenyl-4,4'-diamine","Acta Crystallographica Section E","2006","62","5","o2075","o2076","10.1107/S1600536806014838","","","0.71073","MoKα","","0.0615","0.0413","","","0.1157","0.124","","","","","","1.064","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208786","28.479","0.006","11.781","0.002","14.483","0.003","90","","117.28","0.01","90","","4318.8","1.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexaaquamanganese(II) bis{[<i>N</i>-(2-oxidobenzylidene)alanylglycinato]copper(II)} dodecahydrate","","- C24 H58 Cu2 Mn N4 O26 -","- C24 H58 Cu2 Mn N4 O26 -","- C96 H232 Cu8 Mn4 N16 O104 -","4","0.5","AT2029","Wen-Long Liu; Yao Lu; Xin-Fang Liu; Yan-Yan Zhang; Xiao-Ya Hu","A Cu‒Mn complex of a Schiff base containing alanylglycine: hexaaquamanganese(II) bis{[<i>N</i>-(2-oxidobenzylidene)alanylglycinato]cuprate(II)} dodecahydrate","Acta Crystallographica Section E","2006","62","5","m1109","m1111","10.1107/S1600536806013997","","","0.71073","MoKα","","0.0501","0.0342","","","0.0763","0.0804","","","","","","0.928","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208787","8.582","0.002","11.314","0.003","24.941","0.007","90","","90","","90","","2421.7","1.1","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Methoxy-3-methylbenzophenone","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","1","BH2010","Rathore, R. S.; Narasimhamurthy, T.; Vijay, T.; Yathirajan, H. S.; Anilkumar, H. G.; Basavaraju, Y. B.","4-Methoxy-3-methylbenzophenone","Acta Crystallographica Section E","2006","62","5","o1749","o1750","10.1107/S1600536806011986","","","0.71073","MoKα","","0.0867","0.0527","","","0.1054","0.1185","","","","","","1.098","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208788","7.08","0.0008","8.7574","0.001","13.0492","0.0015","102.369","0.002","103.511","0.002","92.883","0.002","764.13","0.15","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","3-Benzyl-6-isopropyl-5-methoxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one","","- C15 H17 N5 O2 -","- C15 H17 N5 O2 -","- C30 H34 N10 O4 -","2","1","BH2011","Xiao-Hua Zeng; Hong-Mei Wang; Ming-Wu Ding; Hong-Wu He","3-Benzyl-6-isopropyl-5-methoxy-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1888","o1890","10.1107/S160053680601292X","","","0.71073","MoKα","","0.0744","0.0559","","","0.1341","0.1452","","","","","","0.965","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208789","4.265","0.003","13.548","0.009","25.593","0.017","90","","94.008","0.012","90","","1475.2","1.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(2,6-dichlorobenzylidene)hydrazine","","- C14 H8 Cl4 N2 -","- C14 H8 Cl4 N2 -","- C56 H32 Cl16 N8 -","4","1","BH2015","Zheng, Peng-Wu; Qiu, Qiao-Mei; Lin, Yu-Yan; Liu, Ke-Fan","<i>N</i>,<i>N</i>'-Bis(2,6-dichlorobenzylidene)hydrazine","Acta Crystallographica Section E","2006","62","5","o1913","o1914","10.1107/S1600536806012918","","","0.71073","MoKα","","0.0912","0.0396","","","0.0832","0.1051","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208790","8.2829","0.0007","9.5671","0.0009","9.7824","0.0009","90","","90","","90","","775.19","0.12","298","2","298","2","","","","","","","","5","P n a m","-P 2c 2n","62","","Morpholinium hydrogensulfate","","- C4 H11 N O5 S -","- C4 H11 N O5 S -","- C16 H44 N4 O20 S4 -","4","0.5","BH6070","Yin, Cai-Xia; Huo, Fang-Jun; Yang, Pin","Morpholinium hydrogensulfate","Acta Crystallographica Section E","2006","62","5","o2084","o2085","10.1107/S1600536806014802","","","0.71073","MoKα","","0.0436","0.0433","","","0.1025","0.1026","","","","","","1.153","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208791","8.5958","0.0019","9.069","0.002","11.794","0.003","75.783","0.003","74.661","0.003","87.322","0.003","859.3","0.3","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","[Bis(trimethylsilyl)methyl]chloro(phenyl)phosphine","","- C13 H24 Cl P Si2 -","- C13 H24 Cl P Si2 -","- C26 H48 Cl2 P2 Si4 -","2","1","BI2003","Fang Xi; Xia Chen; Jian-Ping Guo; Dian-Sheng Liu","[Bis(trimethylsilyl)methyl]chloro(phenyl)phosphine","Acta Crystallographica Section E","2006","62","5","o1944","o1945","10.1107/S1600536806013833","","","0.71073","MoKα","","0.0624","0.0505","","","0.1122","0.118","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208792","10.559","0.002","13.296","0.003","17.658","0.004","90","","90.99","0.03","90","","2478.7","0.9","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Carbonyl(cyclohexyldiphenylphosphine)(8-hydroxyquinolinato)rhodium(I)","","- C28 H27 N O2 P Rh -","- C28 H27 N O2 P Rh -","- C112 H108 N4 O8 P4 Rh4 -","4","1","BI2004","Janse van Rensburg, J. Marthinus; Roodt, Andreas; Muller, Alfred","Carbonyl(cyclohexyldiphenylphosphine)(8-hydroxyquinolinato)rhodium(I)","Acta Crystallographica Section E","2006","62","5","m1040","m1042","10.1107/S1600536806012955","","","0.71073","MoKα","","","0.0357","","","","0.0833","","","","","","0.998","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208793","12.395","0.003","10.114","0.002","12.055","0.003","90","","111.16","0.01","90","","1409.4","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-hydroxy-2',4,4'-trimethoxybenzophenone","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","BI2005","Qiu, Lin; Wang, Li; Zhao, Yong-Mei","2-Hydroxy-2',4,4'-trimethoxybenzophenone","Acta Crystallographica Section E","2006","62","5","o1980","o1981","10.1107/S1600536806013821","","","0.71073","MoKα","","0.103","0.0458","","","0.0889","0.0999","","","","","","0.891","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208794","7.804","0.004","14.49","0.005","11.057","0.006","90","","107.74","0.02","90","","1190.9","1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,10-C-meso-2,5,5,7,9,12,12,14-Octamethyl-1,8-diaza-4,11-diazonia- cyclotetradecane bis(thiocyanate)","","- C20 H42 N6 S2 -","- C20 H42 N6 S2 -","- C40 H84 N12 S4 -","2","0.5","BI2006","Benson, Ronald E.; Roy, Tapashi G.; Hazari, Saroj K. S.; Barua, Kanak K.; Tiekink, Edward R. T.","3,10-<i>C</i>-<i>meso</i>-2,5,5,7,9,12,12,14-Octamethyl-1,8-diaza-4,11-diazoniacyclotetradecane bis(thiocyanate)","Acta Crystallographica Section E","2006","62","5","o1968","o1970","10.1107/S1600536806013869","","","0.71069","MoKα","","0.05","0.043","","","0.125","0.131","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208795","19.432","0.003","12.512","0.002","37.267","0.006","90","","90","","90","","9061","2","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dimethylbis(4-methylpiperidine-1-dithiocarboxylato-κ^2^S,S')tin(IV)","","- C16 H30 N2 S4 Sn -","- C16 H30 N2 S4 Sn -","- C256 H480 N32 S64 Sn16 -","16","2","BI2007","Shahzadi, Saira; Ali, Saqib; Fettouhi, Mohammed","Dimethylbis(4-methylpiperidine-1-dithiocarboxylato-κ^2^<i>S</i>,<i>S</i>')tin(IV)","Acta Crystallographica Section E","2006","62","5","m1178","m1180","10.1107/S1600536806014929","","","0.71073","MoKα","","0.1467","0.0577","","","0.0893","0.1103","","","","","","0.995","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208796","10.241","0.001","6.587","0.001","7.095","0.001","90","","90","","90","","478.61","0.11","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Silver molybdyl arsenate","","- Ag As Mo O6 -","- Ag As Mo O6 -","- Ag4 As4 Mo4 O24 -","4","0.5","BR2003","Hajji, Mounir; Zid, Mohamed Faouzi","Ag(MoO~2~)(AsO~4~)","Acta Crystallographica Section E","2006","62","5","i114","i116","10.1107/S1600536806012311","","","0.71073","MoKα","","0.0338","0.032","","","0.0957","0.0969","","","","","","1.235","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208797","9.72879","0.00013","9.72879","","13.5827","0.0003","90","","90","","120","","1113.36","0.03","295","2","295","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Nonalithium trigallium(III) tris[pyrophosphate(V)] diphosphate(V)","","- Ga3 Li9 O29 P8 -","- Ga3 Li9 O29 P8 -","- Ga6 Li18 O58 P16 -","2","0.166667","BR2004","Liu, Xiao-Xuan; Wang, Cheng-Xin; Luo, Shu-Ming; Mi, Jin-Xiao","The layered monodiphosphate Li~9~Ga~3~(P~2~O~7~)~3~(PO~4~)~2~ refined from X-ray powder data","Acta Crystallographica Section E","2006","62","5","i112","i113","10.1107/S1600536806012426","","","1.54056","CuKα~1~","","","","","","","","","","1.24","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208798","15.385","0.002","16.928","0.002","16.17","0.002","90","","115.3","0.01","90","","3807.3","0.9","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[4-n-propyl-N-(8-quinolyl)benzenesulfonamidato-k^2^N,N']zinc(II) dimethylformamide solvate","","- C39 H41 N5 O5 S2 Zn -","- C39 H41 N5 O5 S2 Zn -","- C156 H164 N20 O20 S8 Zn4 -","4","1","BT2028","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","Bis[4-<i>n</i>-propyl-<i>N</i>-(8-quinolyl)benzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']zinc(II) dimethylformamide solvate","Acta Crystallographica Section E","2006","62","5","m999","m1001","10.1107/S1600536806012414","","","1.5418","CuKα","","0.0477","0.0399","","","0.1109","0.1162","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208799","7.6338","0.0015","11.681","0.002","12.42","0.002","85.513","0.003","75.529","0.003","76.129","0.003","1040.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Diaquasulfato(2,4,6-tri-2-pyridyl-1,3,5-triazine)nickel(II) dihydrate","","- C18 H20 N6 Ni O8 S -","- C18 H20 N6 Ni O8 S -","- C36 H40 N12 Ni2 O16 S2 -","2","1","BT2030","Maria Enriqueta Díaz de Vivar; Sergio Baggio; Ricardo Baggio","Diaquasulfato(2,4,6-tri-2-pyridyl-1,3,5-triazine)nickel(II) dihydrate","Acta Crystallographica Section E","2006","62","5","m986","m988","10.1107/S1600536806011640","","","0.71073","MoKα","","0.0775","0.0527","","","0.1092","0.1193","","","","","","0.97","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2208800","8.71","0.003","8.818","0.003","16.354","0.005","95.54","0.03","94.03","0.03","90.99","0.03","1246.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-butyl-4-methylpyridinium) tetrachloropalladate(II)","","- C20 H32 Cl4 N2 Pd -","- C20 H32 Cl4 N2 Pd -","- C40 H64 Cl8 N4 Pd2 -","2","1","BT2036","Zawartka, Wojciech; Gniewek, Andrzej; Trzeciak, Anna M.; Drzewiński, Łukasz; Lis, Tadeusz","Bis(1-butyl-4-methylpyridinium) tetrachloropalladate(II)","Acta Crystallographica Section E","2006","62","5","m1100","m1102","10.1107/S1600536806013912","","","0.71073","MoKα","","0.0517","0.0344","","","0.0961","0.0993","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208801","5.6416","0.001","8.0487","0.0015","9.7998","0.0018","93.525","0.015","106.058","0.014","96.254","0.015","423.12","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Poly[μ~4~-isonicotinato-μ~3~-nitrato-barium(II)]","","- C6 H4 Ba N2 O5 -","- C6 H4 Ba N2 O5 -","- C12 H8 Ba2 N4 O10 -","2","1","BT2044","Schuy, Andrea; Ruschewitz, Uwe","Poly[μ~4~-isonicotinato-μ~3~-nitrato-barium(II)]","Acta Crystallographica Section E","2006","62","5","m992","m993","10.1107/S1600536806012268","","","0.71073","MoKα","","0.0358","0.0309","","","0.07","0.074","","","","","","1.121","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208802","24.686","0.005","5.144","0.002","32.705","0.006","90","","90.111","0.014","90","","4153","2","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(benzylaminium) 5-sulfosalicylate","bis(benzylaminium) 3-carboxylato-4-hydroxybenzenesulfonate","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C168 H192 N16 O48 S8 -","8","1","BT2047","Graham Smith; Urs D. Wermuth; Peter C. Healy","A dianionic 5-sulfonatosalicylate species in the proton-transfer compound bis(benzylaminium) 3-carboxylato-4-hydroxybenzenesulfonate","Acta Crystallographica Section E","2006","62","5","o1863","o1865","10.1107/S160053680601227X","","","0.71069","MoKα","","0.1467","0.0475","","","0.1255","0.1718","","","","","","0.868","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208803","5.4982","0.0005","8.111","0.0007","24.306","0.002","90","","90","","90","","1083.95","0.16","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,4'-Diaminobenzophenone","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","BT2048","Wen, Yi-Hang; He, Yin-Hua; Feng, Yun-Long; Ng, Seik Weng","An orthorhombic modification of 4,4'-diaminobenzophenone","Acta Crystallographica Section E","2006","62","5","o1787","o1788","10.1107/S1600536806012281","","","0.71073","MoKα","","0.034","0.032","","","0.087","0.088","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208804","13.564","0.002","13.564","","6.0108","0.0009","90","","90","","120","","957.7","0.2","295","2","295","2","","","","","","","","7","P -3","-P 3","147","","Hemi{tris(picolinic acid-κ^2^<i>N</i>,<i>O</i>)iron(II)/tris(picolinato- κ^2^<i>N</i>,<i>O</i>)iron(II)} hemi(tetrafluoroborate)","","- C18 H13.5 B0.5 F2 Fe N3 O6 -","- C18 H13.5 B0.5 F2.01 Fe N3 O6 -","- C36 H27 B F4.02 Fe2 N6 O12 -","2","0.333333","BT2049","Onggo, Djulia; Martak, Fatimah; Ismunandar; Yamin, Bohari M.; Ng, Seik Weng","Hemi{tris(picolinic acid-κ^2^<i>N</i>,<i>O</i>)iron(II)/tris(picolinato-κ^2^<i>N</i>,<i>O</i>)iron(II)} hemi(tetrafluoroborate)","Acta Crystallographica Section E","2006","62","5","m1112","m1113","10.1107/S1600536806014000","","","0.71073","MoKα","","0.071","0.065","","","0.151","0.154","","","","","","1.21","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208805","18.5191","0.0011","11.5864","0.0007","11.4957","0.0007","90","","90","","90","","2466.6","0.3","291.2","0.3","291.2","0.3","","","","","","","","6","P n n a","-P 2a 2bc","52","","Tetrabutylammonium bromotrichloroferrate(III)","","- C16 H36 Br Cl3 Fe N -","- C16 H36 Br Cl3 Fe N -","- C64 H144 Br4 Cl12 Fe4 N4 -","4","0.5","BT2051","Kruszynski, Rafal; Wyrzykowski, Dariusz","Tetrabutylammonium bromotrichloroferrate(III)","Acta Crystallographica Section E","2006","62","5","m994","m996","10.1107/S1600536806012402","","","0.71073","MoKα","","0.0806","0.0631","","","0.1528","0.1644","","","","","","1.272","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208806","7.1404","0.0013","25.522","0.004","7.9316","0.0009","90","","97.558","0.011","90","","1432.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[propane-1,2-diammonium μ-disulfido-deca-μ-sulfido- disulfidooctaantimonate(III)]","","- C3 H12 N2 S14 Sb8 -","- C3 H12 N2 S14 Sb8 -","- C6 H24 N4 S28 Sb16 -","2","0.5","BT2052","Puls, Angela; Näther, Christian; Bensch, Wolfgang","Poly[propane-1,2-diammonium μ-disulfido-deca-μ-sulfido-disulfidooctaantimonate(III)]","Acta Crystallographica Section E","2006","62","5","m1045","m1047","10.1107/S1600536806012979","","","0.71073","MoKα","","0.0422","0.0331","","","0.09","0.0935","","","","","","1.101","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208807","9.2115","0.0008","7.9171","0.0006","10.3631","0.0009","90","","94.945","0.001","90","","752.95","0.11","273","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(pyridine-2,3-dicarboxylato)copper(II)","","- C14 H12 Cu N2 O10 -","- C14 H12 Cu N2 O10 -","- C28 H24 Cu2 N4 O20 -","2","0.5","BT2053","Xiang, Jiang-Feng; Li, Ming; Wu, Si-Min; Yuan, Liang-Jie; Sun, Ju-Tang","Diaquabis(pyridine-2,3-dicarboxylato)copper(II)","Acta Crystallographica Section E","2006","62","5","m1122","m1123","10.1107/S1600536806014218","","","0.71073","MoKα","","0.0313","0.03","","","0.0977","0.0991","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208808","15.093","0.003","9.297","0.002","19.142","0.004","90","","105.664","0.004","90","","2586.2","0.9","173","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(propane-1,2-diammonium) hexaiodoplumbate(II) dihydrate","","- C6 H30 I6 N4 O3 Pb -","- C6 H30 I6 N4 O3 Pb -","- C24 H120 I24 N16 O12 Pb4 -","4","0.5","BT2054","Billing, David G.; Lemmerer, Andreas","Bis(propane-1,2-diammonium) hexaiodoplumbate(II) trihydrate","Acta Crystallographica Section E","2006","62","5","m1103","m1105","10.1107/S1600536806013973","","","0.71073","MoKα","","","0.0298","","","","0.0591","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208809","10.8726","0.0011","15.8656","0.0016","22.747","0.002","90","","93.135","0.002","90","","3918","0.7","84","2","84","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Oxo-bis[trans-dichloro(2,4,6-tri-2-pyridyl-1,3,5-triazine)iron(III)] dihydrate","","- C36 H26 Cl4 Fe2 N12 O3 -","- C36 H26 Cl4 Fe2 N12 O3 -","- C144 H104 Cl16 Fe8 N48 O12 -","4","1","BT2055","Zibaseresht, Ramin; Robinson, Ward T.; Hartshorn, Richard M.","μ-Oxo-bis[<i>trans</i>-dichloro(2,4,6-tri-2-pyridyl-1,3,5-triazine)iron(III)] dihydrate","Acta Crystallographica Section E","2006","62","5","m1150","m1153","10.1107/S1600536806014437","","","0.71073","MoKα","","0.0607","0.0418","","","0.1159","0.1252","","","","","","1.05","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208810","6.891","0.001","10.629","0.002","16.378","0.003","104.85","0.01","96.38","0.01","96.66","0.01","1139.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-Amino-1-(4-chlorobenzyl)pyridinium bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(III)","","- C20 H12 Cl N6 Ni S4 -","- C20 H12 Cl N6 Ni S4 -","- C40 H24 Cl2 N12 Ni2 S8 -","2","1","BT2061","Ming-Guo Liu; Chun-Lin Ni","2-Amino-1-(4-chlorobenzyl)pyridinium bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(III)","Acta Crystallographica Section E","2006","62","5","m1114","m1116","10.1107/S1600536806014450","","","0.71073","MoKα","","0.0726","0.0462","","","0.0745","0.0792","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208811","7.4496","0.0015","10.872","0.002","15.594","0.003","80.14","0.03","81.45","0.03","87.03","0.03","1230.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Aquabis(2-nitrobenzoato-κO)bis(pyridine-kN)copper(II)","","- C24 H20 Cu N4 O9 -","- C24 H20 Cu N4 O9 -","- C48 H40 Cu2 N8 O18 -","2","1","BT2064","Chi, Wei-Ping; Zhang, Meng; Wang, Hong","Aquabis(2-nitrobenzoato-κ<i>O</i>)bis(pyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2006","62","5","m1134","m1135","10.1107/S1600536806014553","","","0.71073","MoKα","","","0.0385","","","0.0912","0.0965","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208812","14.3456","0.0007","7.8603","0.0004","18.9621","0.0009","90","","96.254","0.001","90","","2125.46","0.18","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-[4,5-Bis(n-pentylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiolo[4,5-c]pyrrole","","- C18 H25 N S6 -","- C18 H25 N S6 -","- C72 H100 N4 S24 -","4","1","BV2011","Brimert, Thomas; Nielsen, Kent A.; Bond, Andrew D.; Jeppesen, Jan O.","2-[4,5-Bis(<i>n</i>-pentylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiolo[4,5-<i>c</i>]pyrrole","Acta Crystallographica Section E","2006","62","5","o1702","o1703","10.1107/S1600536806011482","","","0.71073","MoKα","","0.0384","0.0363","","","0.0832","0.0844","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208813","8.6268","0.0014","7.682","0.003","21.034","0.004","90","","90","","90","","1393.9","0.6","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Dipropiodurene","1,1'-(2,3,5,6-tetramethyl-p-phenylene)dipropan-1-one or 2,3,5,6-tetramethyl-1,4-dipropiophenone","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","0.5","BX2001","Pinkus, A. G.; Klausmeyer, Kevin K.; Carson, Cody E.; Custard, Herman C.","Dipropiodurene","Acta Crystallographica Section E","2006","62","5","o1854","o1855","10.1107/S160053680601261X","","","0.71073","MoKα","","0.0416","0.0377","","","0.1035","0.1081","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208814","7.8338","0.0006","14.4275","0.0009","14.545","0.001","100.858","0.005","104.46","0.006","101.767","0.005","1507.9","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","1-(3-Chlorobenzoyl)-3-(2,6-dichlorophenyl)thiourea","1-(3-Chlorobenzoyl)-3-(2,6-dichlorophenyl)thiourea","","- C14 H9 Cl3 N2 O S -","- C14 H9 Cl3 N2 O S -","- C56 H36 Cl12 N8 O4 S4 -","4","2","BX2002","Khawar Rauf, M.; Badshah, Amin; Bolte, Michael; Zaeem, M. Akhtar","1-(3-Chlorobenzoyl)-3-(2,6-dichlorophenyl)thiourea","Acta Crystallographica Section E","2006","62","5","o1849","o1850","10.1107/S1600536806012633","","","0.71073","MoKα","","0.0344","0.0309","","","0.0806","0.0828","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208815","8.134","0.002","11.043","0.003","21.385","0.006","90","","90","","90","","1920.9","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-(+)-1-(2-Hydroxybenzylideneamino)-2-(p-tolylsulfonylamino)cyclohexane","","- C20 H24 N2 O3 S -","- C20 H24 N2 O3 S -","- C80 H96 N8 O12 S4 -","4","1","CF2014","Yang, Hong-Wei; Li, Yi-Zhi; Pan, Xu; Sun, Jiang-Tao; Zhu, Cheng-Jian","(1<i>R</i>,2<i>R</i>)-(+)-1-(2-Hydroxybenzylideneamino)-2-(<i>p</i>-tolylsulfonylamino)cyclohexane","Acta Crystallographica Section E","2006","62","5","o1982","o1983","10.1107/S1600536806013808","","","0.71073","MoKα","","0.069","0.0554","","","0.1198","0.1228","","","","","","1.071","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208816","5.1979","0.0003","12.0686","0.0007","7.074","0.0003","90","","90.327","0.003","90","","443.75","0.04","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Diacetonitriledibromopalladium(II)","","- C4 H6 Br2 N2 Pd -","- C4 H6 Br2 N2 Pd -","- C8 H12 Br4 N4 Pd2 -","2","0.5","CF2021","Ademi, Lumni; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","<i>trans</i>-Diacetonitriledibromopalladium(II)","Acta Crystallographica Section E","2006","62","5","m1059","m1061","10.1107/S1600536806013377","","","0.71073","MoKα","","0.0279","0.0205","","0.032","0.0246","0.0246","","","","","","1.0304","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2208817","15.07","0.002","13.353","0.002","19.358","0.004","90","","90.262","0.007","90","","3895.4","1.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzimidazolium 3,5-dihydroxybenzoate benzimidazole","","- C21 H18 N4 O4 -","- C21 H18 N4 O4 -","- C168 H144 N32 O32 -","8","2","CF2022","Xuan Huang; Jia-Geng Liu; Duan-Jun Xu","Benzimidazolium 3,5-dihydroxybenzoate benzimidazole","Acta Crystallographica Section E","2006","62","5","o1833","o1835","10.1107/S1600536806011639","","","0.71075","MoKα","","0.069","0.041","","","0.102","0.112","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208818","11.031","0.002","12.815","0.003","9.341","0.0002","90","","104.16","0.03","90","","1280.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(4-chlorosalicylato-κ<i>O</i>)copper(II)]-di-μ-3-pyridylmethanol- κ^2^N:O;κ^2^O:N]","","- C26 H22 Cl2 Cu N2 O8 -","- C26 H22 Cl2 Cu N2 O8 -","- C52 H44 Cl4 Cu2 N4 O16 -","2","0.5","CI2003","Maroszová, Jaroslava; Martiška, Ladislav; Valigura, Dušan; Koman, Marian; Glowiak Tadeusz","Poly[[bis(4-chlorosalicylato-κ<i>O</i>)copper(II)]-di-μ-3-pyridylmethanol-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>]","Acta Crystallographica Section E","2006","62","5","m1164","m1166","10.1107/S1600536806006817","","","0.71073","MoKα","","0.0407","0.0324","","","0.0832","0.0872","","","","","","1.166","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2208819","13.5382","0.001","15.7796","0.0011","23.0555","0.0016","90","","105.347","0.001","90","","4749.7","0.6","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","diisothiocyanatodihalonickelates(II)","","","- C50 H40 As2 Br2 N2 Ni S2 -","- C50 H40 As2 Br2 N2 Ni S2 -","- C200 H160 As8 Br8 N8 Ni4 S8 -","4","0.5","CI2014","Singh, S. S.; Prasad, R. S.; Upreti, Shailesh; Jha, N. K.; Ramanan, A.","Tetraphenylarsonium diisothiocyanatodibromonickelate(II)","Acta Crystallographica Section E","2006","62","5","m1014","m1015","10.1107/S160053680601021X","","","0.71073","MoKα","","0.0513","0.0424","","","0.1369","0.1412","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208820","10.997","0.007","7.808","0.005","27.066","0.017","90","","97.49","0.01","90","","2304","3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-4-tolylsulfanylacetato-κ^2^O:O')bis[(N,N'- dimethylformamide-κO)copper(II)]","","- C42 H50 Cu2 N2 O10 S4 -","- C42 H36 Cu2 N2 O10 S4 -","- C84 H72 Cu4 N4 O20 S8 -","2","0.5","CI2025","Hong Su; Ya-Shuang Huang; Yi-Hang Wen; Yun-Long Feng","Tetrakis(μ-4-tolylsulfanylacetato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)copper(II)]","Acta Crystallographica Section E","2006","62","5","m1071","m1073","10.1107/S1600536806013602","","","0.71073","MoKα","","0.0866","0.0486","","","0.1259","0.1398","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208821","6.856","0.0014","8.485","0.0017","11.547","0.002","95.2","0.03","102.54","0.03","93.15","0.03","651.1","0.2","288","2","288","2","","","","","","","","3","P -1","-P 1","2","","1-(2-hydroxyphenyl)octan-1-one","","- C14 H20 O2 -","- C14 H20 O2 -","- C28 H40 O4 -","2","1","CI2027","Xu Bin; Ji, Jin-Xiu; Fen, Zhi-Qiang; Wang, Jin-Tang","1-(2-Hydroxyphenyl)octan-1-one","Acta Crystallographica Section E","2006","62","5","o1793","o1794","10.1107/S1600536806009925","","","0.71073","MoKα","","0.132","0.0598","","","0.1358","0.1701","","","","","","1.027","","","","has coordinates,has Fobs","255780","2020-10-21","18:00:00",""
"2208822","7.413","0.001","7.079","0.001","20.632","0.002","90","","99.53","0.007","90","","1067.8","0.2","303","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hexaaquamanganese(II) bis[2-(carboxylatomethylsulfanyl)pyridine N-oxide]","","- C14 H24 Mn N2 O12 S2 -","- C14 H24 Mn N2 O12 S2 -","- C28 H48 Mn2 N4 O24 S4 -","2","0.5","CI2036","Samuel Robinson Jebas; Balasingh Ravindran Durai Nayagam; Thailampillai Balasubramanian","Hexaaquamanganese(II) bis[2-(carboxylatomethylsulfanyl)pyridine <i>N</i>-oxide]","Acta Crystallographica Section E","2006","62","5","m1069","m1070","10.1107/S1600536806013237","","","0.71073","MoKα","","","0.0239","","","","0.0648","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208823","11.284","0.001","13.083","0.001","17.76","0.001","98.922","0.003","94.625","0.002","111.605","0.004","2381","0.3","120","2","","","","","","","","","","6","P -1","-P 1","2","","Bis(2,2'-bipyridine){3,8-bis[2-(4-tolyl)ethynyl]-1,10- phenanthroline}ruthenium(II) bis(hexafluorophosphate)","","- C50 H36 F12 N6 P2 Ru -","- C50 H36 F12 N6 P2 Ru -","- C100 H72 F24 N12 P4 Ru2 -","2","1","CI2037","Michito Shiotsuka; Yasuhiro Inui; Mitsuhiro Ito; Satoru Onaka; Tomoji Ozeki; Hirokazu Chiba","Bis(2,2'-bipyridine){3,8-bis[2-(4-tolyl)ethynyl]-1,10-phenanthroline}ruthenium(II) bis(hexafluorophosphate)","Acta Crystallographica Section E","2006","62","5","m980","m982","10.1107/S1600536806011834","","","0.3282","synchrotron","","0.0884","0.0556","","","0.1131","0.1272","","","","","","1.041","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208824","11.8486","0.0014","9.9295","0.0009","12.6574","0.0015","90","","112.441","0.009","90","","1376.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-hydroxy-3-methoxy-5-[(3-methoxyphenyl)diazenyl]benzaldehyde","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","CI2038","Karadayı, Nevzat; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-2-Hydroxy-3-methoxy-5-[(3-methoxyphenyl)diazenyl]benzaldehyde","Acta Crystallographica Section E","2006","62","5","o1727","o1729","10.1107/S1600536806011263","","","0.71073","MoKα","","0.1122","0.0461","","","0.067","0.0776","","","","","","0.985","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208825","12.51","0.002","14.843","0.003","14.8398","0.0013","90","","90","","90","","2755.5","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2'-[(Ethylenedioxy)bis(ethyleneoxy)]bis[<i>N</i>-(2-pyridiyl)benzamide]","","- C30 H30 N4 O6 -","- C30 H30 N4 O6 -","- C120 H120 N16 O24 -","4","1","CI2039","Wang, Wen-Hua; You, Zhong-Lu; Liu, Wei-Sheng; Da-Qi Wang","2,2'-[(Ethylenedioxy)bis(ethyleneoxy)]bis[<i>N</i>-(2-pyridyl)benzamide]","Acta Crystallographica Section E","2006","62","5","o1768","o1769","10.1107/S160053680601230X","","","0.71073","MoKα","","0.1114","0.0422","","","0.1077","0.1508","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208826","6.9503","0.0001","15.6916","0.0002","20.4365","0.0003","90","","90","","90","","2228.83","0.05","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-chlorobenzenesulfonate","2-[(E)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-chlorobenzenesulfonate","","- C25 H22 Cl N O5 S -","- C25 H22 Cl N O5 S -","- C100 H88 Cl4 N4 O20 S4 -","4","1","CI2040","Suchada Chantrapromma; Boonwasana Jindawong; Hoong-Kun Fun; P. S. Patil; Chatchanok Karalai","2-[(<i>E</i>)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-chlorobenzenesulfonate","Acta Crystallographica Section E","2006","62","5","o1802","o1804","10.1107/S1600536806012347","","","0.71073","MoKα","","0.0612","0.0435","","","0.101","0.1104","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208827","6.908","0.002","6.29","0.004","15.06","0.006","90","","95.57","0.03","90","","651.3","0.5","290","2","290","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","6-Bromopyridine-2-carbaldehyde","","- C6 H4 Br N O -","- C6 H4 Br N O -","- C24 H16 Br4 N4 O4 -","4","1","CI2041","Huan-Xia Zhang; Da-Bin Qin; Lin-Hai Jing; Shao-Jin Gu; Zhi-Hua Mao","6-Bromopyridine-2-carbaldehyde","Acta Crystallographica Section E","2006","62","5","o1715","o1716","10.1107/S1600536806011615","","","0.71073","MoKα","","0.0841","0.0384","","","0.0872","0.0993","","","","","","0.987","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208828","8.0529","0.0005","22.988","0.001","8.3123","0.0005","90","","93.534","0.001","90","","1535.85","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(Acetylamino)benzenesulfonyl azide","","- C8 H8 N4 O3 S -","- C8 H8 N4 O3 S -","- C48 H48 N24 O18 S6 -","6","3","CI2042","Vicarel, Monica L.; Norris, Peter; Zeller, Matthias","4-Acetamidobenzenesulfonyl azide","Acta Crystallographica Section E","2006","62","5","o1751","o1753","10.1107/S1600536806011962","","","0.71073","MoKα","","0.04","0.0389","","","0.0987","0.0994","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208829","11.764","0.003","13.519","0.004","12.068","0.004","90","","107.466","0.005","90","","1830.8","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(3-benzyloxy-5-methylpyrazin-2-yl)-2-chloro-benzenesulfonamide","","- C18 H16 Cl N3 O3 S -","- C18 H16 Cl N3 O3 S -","- C72 H64 Cl4 N12 O12 S4 -","4","1","CI2043","Shu-Rong Ban; Xing Yang; Wen-Bin Chen; Xiao-Feng Cheng; Hai-Bin Song","<i>N</i>-(3-Benzyloxy-5-methylpyrazin-2-yl)-2-chlorobenzenesulfonamide","Acta Crystallographica Section E","2006","62","5","o1713","o1714","10.1107/S1600536806011809","","","0.71073","MoKα","","0.0953","0.045","","","0.0899","0.1062","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208830","8.705","0.003","10.082","0.003","10.981","0.003","104.222","0.002","90.735","0.003","90.916","0.003","933.9","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","3,5-Dimethoxybenzohydrazide","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","2","CI2044","Hui-Yan Liu; Feng Gao; Zai-Sheng Lu; De-Zhong Niu","3,5-Dimethoxybenzohydrazide","Acta Crystallographica Section E","2006","62","5","o1976","o1977","10.1107/S1600536806013511","","","0.71073","MoKα","","0.2148","0.0708","","","0.1295","0.1719","","","","","","0.954","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208831","13.984","0.007","5.7797","0.0017","22.283","0.006","90","","92.15","0.03","90","","1799.7","1.2","292","2","292","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diphenyl naphthalene-1,4-dicarboxylate","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","1","CI2045","Lin-Hai Jing; Da-Bin Qin; Shao-Jin Gu; Huan-Xia Zhang; Zhi-Hua Mao","Diphenyl naphthalene-1,4-dicarboxylate","Acta Crystallographica Section E","2006","62","5","o1717","o1718","10.1107/S1600536806011676","","","0.71073","MoKα","","0.1728","0.0475","","","0.0939","0.1191","","","","","","0.886","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208832","7.6438","0.0018","17.17","0.005","11.597","0.003","90","","104.52","0.007","90","","1473.4","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-[4-(Morpholinocarbonylmethoxy)phenyl]acetamide monohydrate","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C56 H80 N8 O20 -","4","1","CI2046","Sundar, T. V.; Parthasarathi, V.; Lang, H.; Malik, R.; Piplani, P.","<i>N</i>-[4-(Morpholinocarbonylmethoxy)phenyl]acetamide monohydrate: a potential antiamnesic agent","Acta Crystallographica Section E","2006","62","5","o1874","o1876","10.1107/S160053680601289X","","","0.71073","MoKα","","0.0571","0.0419","","","0.1099","0.1195","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208833","10.996","0.002","12.017","0.002","12.109","0.002","89.95","0.004","67.15","0.003","67.821","0.003","1345.3","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","3-Benzoyl-4-hydroxy-2,4,6-triphenylcyclohexane-1,1-dicarbonitrile","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C66 H52 N4 O4 -","2","1","CI2047","Liang-Ce Rong; Xiao-Yue Li; Fang Yang; Hai-Ying Wang; Da-Qing Shi","3-Benzoyl-4-hydroxy-2,4,6-triphenylcyclohexane-1,1-dicarbonitrile","Acta Crystallographica Section E","2006","62","5","o1766","o1767","10.1107/S1600536806012086","","","0.71073","MoKα","","0.1042","0.049","","","0.1095","0.1419","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208834","10.21","0.002","9.672","0.001","29.163","0.004","90","","90.15","0.01","90","","2879.9","0.8","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diethyl naphthalene-1,8-dicarboxylate","","- C16 H16 O4 -","- C16 H16 O4 -","- C128 H128 O32 -","8","2","CI2048","Lin-Hai Jing; Da-Bin Qin; Shao-Jin Gu; Huan-Xia Zhang; Zhi-Hua Mao","Diethyl naphthalene-1,8-dicarboxylate","Acta Crystallographica Section E","2006","62","5","o1934","o1935","10.1107/S1600536806013845","","","0.71073","MoKα","","0.1045","0.0406","","","0.0929","0.1063","","","","","","0.802","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208835","7.7404","0.0006","10.0227","0.0007","20.5622","0.0016","90","","90","","90","","1595.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Acetyl-4-furyl-1-methylspiro[pyrrolidine-2.2'-indol]-2'(3'H)-one","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","CI2049","A. Subbiahpandi; D. Velmurugan; K. Ravikumar; R. R. Durga; R. Raghunathan","3-Acetyl-4-furyl-1-methylspiro[pyrrolidine-2,2'-indol]-2'(3'<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1964","o1965","10.1107/S1600536806013353","","","0.71073","MoKα","","0.0594","0.0489","","","0.1233","0.1301","","","","","","1.089","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208836","7.33","0.018","8.944","0.011","11.734","0.017","90.76","0.11","94.21","0.16","99.01","0.14","757","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-Amino-5-(4-chlorophenoxymethyl)-2-(2-cyanoethyl)-2H-1,2,4-triazole- 3(4H)-thione monohydrate","","- C12 H14 Cl N5 O2 S -","- C12 H14 Cl N5 O2 S -","- C24 H28 Cl2 N10 O4 S2 -","2","1","CI2051","He, Ting; Li, Yi-Zhi; Hu, Hong-Wen","4-Amino-5-(4-chlorophenoxymethyl)-2-(2-cyanoethyl)-2<i>H</i>-1,2,4-triazole-3(4<i>H</i>)-thione monohydrate","Acta Crystallographica Section E","2006","62","5","o1928","o1929","10.1107/S1600536806013365","","","0.71073","MoKα","","0.0715","0.0585","","","0.1288","0.133","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208837","10.5558","0.0005","17.5031","0.0008","6.9415","0.0003","90","","101.863","0.001","90","","1255.11","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,6-Dimethyl-4-(methylsulfanyl)-3-nitro-4H-chromen-2-amine","","- C12 H14 N2 O3 S -","- C12 H14 N2 O3 S -","- C48 H56 N8 O12 S4 -","4","1","CI2052","D. Gayathri; D. Velmurugan; K. Ravikumar; K. Geetha; H. Surya Prakash Rao","<i>N</i>,6-Dimethyl-4-(methylsulfanyl)-3-nitro-4<i>H</i>-chromen-2-amine","Acta Crystallographica Section E","2006","62","5","o1961","o1963","10.1107/S1600536806013675","","","0.71073","MoKα","","0.0422","0.0393","","","0.118","0.121","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208838","21.01","0.007","11.388","0.004","15.123","0.005","90","","121.38","0.005","90","","3089.1","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","11-(4-Fluorophenyl)-7,11-dihydrobenzo[f]furo[3,4-b]quinolin-10(8H)-one","","- C21 H14 F N O2 -","- C21 H14 F N O2 -","- C168 H112 F8 N8 O16 -","8","1","CI2053","Shu-Jiang Tu; Yan Zhang; Run-Hong Jia","11-(4-Fluorophenyl)-7,11-dihydrobenzo[<i>f</i>]furo[3,4-<i>b</i>]quinolin-10(8<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1872","o1873","10.1107/S160053680601302X","","","0.71073","MoKα","","0.1386","0.0489","","","0.098","0.136","","","","","","0.991","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208839","7.4456","0.0004","25.268","0.0015","10.0594","0.0006","90","","104.286","0.001","90","","1834","0.18","273","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Nitrophenyl)-5-tosylperhydropyrrolo[3,4-b]pyrrole","","- C19 H21 N3 O4 S -","- C19 H21 N3 O4 S -","- C76 H84 N12 O16 S4 -","4","1","CI2054","D. Gayathri; D. Sujatha; D. Velmurugan; K. Ravikumar; M. Poornachandran","1-(3-Nitrophenyl)-5-tosylperhydropyrrolo[3,4-<i>b</i>]pyrrole","Acta Crystallographica Section E","2006","62","5","o2045","o2047","10.1107/S1600536806014243","","","0.71073","MoKα","","0.0505","0.0461","","","0.1131","0.1161","","","","","","1.144","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208840","5.727","0.0016","7.102","0.002","10.322","0.003","95.493","0.004","94.159","0.004","108.96","0.004","392.83","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(1H-Benzimidazol-2-yl)ethanone","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C18 H16 N4 O2 -","2","1","CI2055","Xiao-Yan Yang; Ying Li; Yan Li; Xue-Mei Li; Shu-Sheng Zhang","1-(1<i>H</i>-Benzimidazol-2-yl)ethanone","Acta Crystallographica Section E","2006","62","5","o1936","o1937","10.1107/S1600536806013481","","","0.71073","MoKα","","0.0634","0.0495","","","0.1304","0.1421","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208841","7.8746","0.0007","11.9601","0.0009","14.446","0.002","66.121","0.011","83.931","0.017","71.126","0.015","1176.7","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","2,3-bis(4-bromophenyl)quinoxaline‒1,2-bis(4-bromophenyl)ethane-1,2-diol (2/1)","","- C27 H18 Br3 N2 O -","- C27 H18 Br3 N2 O -","- C54 H36 Br6 N4 O2 -","2","1","CI2056","Liang-Ce Rong; Xiao-Yue Li; Chang-Sheng Yao; Hai-Ying Wang; Da-Qing Shi","A 2:1 cocrystal of 2,3-bis(4-bromophenyl)quinoxaline and 1,2-bis(4-bromophenyl)ethane-1,2-diol","Acta Crystallographica Section E","2006","62","5","o1959","o1960","10.1107/S1600536806013729","","","0.7107","MoKα","","0.0507","0.0376","","","0.0887","0.0968","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208842","12.3492","0.0009","9.0553","0.0014","19.813","0.002","90","","90","","90","","2215.6","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Dimethyl 3,6-dioxatetracyclo[6.1.0.0^2,4^.0^5,7^]nonane-2,9-dicarboxylate","","- C11 H12 O6 -","- C11 H12 O6 -","- C88 H96 O48 -","8","1","CI2058","Hökelek, Tuncer; Çelik, Murat; Gültekin, M. Serdar; Balcı, Metin","Dimethyl 3,6-dioxatetracyclo[6.1.0.0^2,4^.0^5,7^]nonane-2,9-dicarboxylate","Acta Crystallographica Section E","2006","62","5","o1991","o1993","10.1107/S1600536806014401","","","0.71073","MoKα","","0.079","0.0397","","","0.1015","0.1167","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208843","4.039","0.001","8.974","0.002","9.224","0.002","90","","93.09","0.03","90","","333.85","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-Bromo-2-(hydroxymethyl)pyridine","5-Bromo-2-(hydroxymethyl)pyridine","","- C6 H6 Br N O -","- C6 H6 Br N O -","- C12 H12 Br2 N2 O2 -","2","1","CI2059","Ya-Ming Wu; Chang-Chuan Dong; Shan Liu; Hong-Jun Zhu; Yi-Zu Wu","5-Bromo-2-(hydroxymethyl)pyridine","Acta Crystallographica Section E","2006","62","5","o2102","o2103","10.1107/S1600536806015066","","","0.71073","MoKα","","0.0707","0.0565","","","0.1318","0.1423","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208844","7.0708","0.0001","10.8464","0.0002","15.4009","0.0001","108.474","0.001","102.774","0.001","91.093","0.001","1087.46","0.03","83","2","83","2","","","","","","","","3","P -1","-P 1","2","","5,15-Bis(p-methylphenyl)-2,8,12,18-tetrabutyl-3,7,13,17- tetramethylporphyrin","","- C54 H66 N4 -","- C54 H66 N4 -","- C54 H66 N4 -","1","0.5","CI2061","Boyd, Peter D.W.; Hosseini, Ali","5,15-Bis(<i>p</i>-methylphenyl)-2,8,12,18-tetrabutyl-3,7,13,17-tetramethylporphyrin","Acta Crystallographica Section E","2006","62","5","o2081","o2083","10.1107/S1600536806014346","","","0.71073","MoKα","","0.099","0.0672","","","0.1353","0.1542","","","","","","1.186","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208845","16.877","0.001","5.3142","0.0003","16.3985","0.0009","90","","96.964","0.001","90","","1459.89","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)-6,7-dimethoxyisochroman","","- C17 H17 Cl O3 -","- C17 H17 Cl O3 -","- C68 H68 Cl4 O12 -","4","1","CS2001","Saeed, Aamer; Flörke, Ulrich","1-(4-Chlorophenyl)-6,7-dimethoxyisochroman","Acta Crystallographica Section E","2006","62","5","o1819","o1821","10.1107/S1600536806011792","","","0.71073","MoKα","","0.0495","0.0424","","","0.1097","0.1147","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208846","12.8348","0.0013","6.2254","0.0005","22.202","0.002","90","","98.493","0.005","90","","1754.5","0.3","100","0.1","273","2","","","","","","","","3","C 1 2 1","C 2y","5","ent-16β-17α-dihydroxykaurane","5,5,9-Trimethyl-14-hydroxy-14- hydroxymethyl-tetracyclo[11.2.1.0^1,10^.0^4,9^] hexadecane hemihydrate","","- C20 H35 O2.5 -","- C20 H35 O2.5 -","- C80 H140 O10 -","4","1","CV2017","Suchada Chantrapromma; Charoen Pakathirathien; Hoong-Kun Fun; Abdul Razak Ibrahim; Chatchanok Karalai","14-Hydroxy-14-hydroxymethyl-5,5,9-trimethyltetracyclo[11.2.1.0^1,10^.0^4,9^]hexadecane hemihydrate","Acta Crystallographica Section E","2006","62","5","o1742","o1744","10.1107/S160053680601107X","","","0.71073","MoKα","","0.1056","0.0856","","","0.2268","0.2514","","","","","","1.19","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208847","8.036","0.004","8.5608","0.0015","22.18","0.007","90","","91.05","0.03","90","","1525.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","piperidine-4-one","1-Acetyl-3-ethyl-r-2,c-6-di-2-furylpiperidin-4-one","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","CV2019","S. Balamurugan; A. Thiruvalluvar; A. Manimekalai; K. Selvaraju; T. Maruthavanan","1-Acetyl-3-ethyl-<i>r</i>-2,<i>c</i>-6-di-2-furylpiperidin-4-one","Acta Crystallographica Section E","2006","62","5","o2005","o2006","10.1107/S1600536806013407","","","0.71073","MoKα","","0.0735","0.0479","","","0.1447","0.1661","","","","","","1.038","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208848","7.564","0.002","20.415","0.005","11.022","0.001","90","","109.6","0.01","90","","1603.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,9-Dimethyl-3,8-dimethylsulfanylnaphtho[2,1-b:3,4-b']difuran","","- C18 H16 O2 S2 -","- C18 H16 O2 S2 -","- C72 H64 O8 S8 -","4","1","CV2021","Choi, Hong Dae; Jang, Ji Bong; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2,9-Dimethyl-3,8-bis(methylsulfanyl)naphtho[2,1-<i>b</i>:3,4-<i>b</i>']difuran","Acta Crystallographica Section E","2006","62","5","o1785","o1786","10.1107/S1600536806012098","","","0.71069","MoKα","","0.1428","0.078","","","0.1574","0.2014","","","","","","1.099","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208849","9.524","0.004","11.064","0.004","12.334","0.007","88.869","0.017","70.14","0.02","83.41","0.019","1214","1","298","1","298","1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Cl N4 O6 -","- C25 H21 Cl N4 O6 -","- C50 H42 Cl2 N8 O12 -","2","1","CV2023","Zheng-Bo Chen; Jun Wu; Pei-Zhi Zhang; Pei-Min Zhang; Jing Lv","4-(2-Chloro-4-nitrophenoxy)-<i>N</i>-[2-(4,6-dimethoxypyrimidin-2-yloxy)benzyl]aniline","Acta Crystallographica Section E","2006","62","5","o1671","o1672","10.1107/S1600536806010671","","","0.71075","MoKα","","0.0795","0.0478","","","0.1241","0.1398","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208850","9.6355","0.0009","11.2251","0.001","10.5563","0.001","90","","112.138","0.001","90","","1057.59","0.17","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethylammonium saccharinate","","- C9 H12 N2 O3 S -","- C9 H12 N2 O3 S -","- C36 H48 N8 O12 S4 -","4","1","CV2024","Wang, Zi-Liang; Wei, Lin-Heng; Li, Ming-Xue; Wang, Jing-Ping","Ethylammonium saccharinate","Acta Crystallographica Section E","2006","62","5","o1800","o1801","10.1107/S1600536806012116","","","0.71073","MoKα","","0.0422","0.0389","","","0.1104","0.1134","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208851","9.8561","0.0003","9.9719","0.0002","13.2792","0.0003","85.851","0.001","72.262","0.001","63.317","0.001","1107.51","0.05","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","Chloro(triphenylphosphine)(tropolonato)palladium(II)","","- C25 H20 Cl O2 P Pd -","- C25 H20 Cl O2 P Pd -","- C50 H40 Cl2 O4 P2 Pd2 -","2","1","CV2025","Steyl, Gideon","Chloro(triphenylphosphine)(tropolonato)palladium(II)","Acta Crystallographica Section E","2006","62","5","m974","m976","10.1107/S1600536806011652","","","0.71073","MoKα","","0.0259","0.024","","","0.0538","0.0565","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208852","8.0357","0.0018","10.545","0.002","4.3613","0.001","90","","90","","90","","369.56","0.14","293","2","298","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Bis(imidazol-1-yl)methane","","- C7 H8 N4 -","- C7 H8 N4 -","- C14 H16 N8 -","2","0.5","CV2026","Li, Jian","Bis(imidazol-1-yl)methane","Acta Crystallographica Section E","2006","62","5","o1798","o1799","10.1107/S1600536806011512","","","0.71073","MoKα","","0.0505","0.0483","","","0.1211","0.1225","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208853","4.7472","0.0006","11.2103","0.0014","25.139","0.003","90","","90","","90","","1337.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S)-Methyl 2-[2-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]propionate","","- C10 H14 F N3 O6 -","- C10 H14 F N3 O6 -","- C40 H56 F4 N12 O24 -","4","1","CV2027","Ping Yin; Mao-Lin Hu; Jing Xiong; Xiao-Qing Cai","Methyl (2<i>S</i>)-2-[2-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]propionate monohydrate","Acta Crystallographica Section E","2006","62","5","o1745","o1746","10.1107/S1600536806011184","","","0.71073","MoKα","","0.0444","0.043","","","0.1056","0.1067","","","","","","1.193","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208854","7.7327","0.0014","7.8617","0.0014","14.368","0.003","102.041","0.003","94.257","0.003","112.213","0.003","779.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","N-(4-Chloro-3-nitrophenyl)-N'-(3-nitrobenzoyl)thiourea","","- C14 H9 Cl N4 O5 S -","- C14 H9 Cl N4 O5 S -","- C28 H18 Cl2 N8 O10 S2 -","2","1","CV2028","Yusof, M. Sukeri M.; Rahim, S. Sarah A.; Yamin, Bohari M.","<i>N</i>-(4-Chloro-3-nitrophenyl)-<i>N</i>'-(3-nitrobenzoyl)thiourea","Acta Crystallographica Section E","2006","62","5","o1740","o1741","10.1107/S1600536806011688","","","0.71073","MoKα","","0.052","0.041","","","0.106","0.113","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208855","10.0562","0.0001","20.8494","0.0003","14.1616","0.0002","90","","106.418","0.0007","90","","2848.13","0.06","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,3-Bis(diphenylphosphino)propane]tetracarbonylchromium(0)","","- C31 H26 Cr O4 P2 -","- C31 H26 Cr O4 P2 -","- C124 H104 Cr4 O16 P8 -","4","1","CV2029","Shawkataly, Omar bin; Islam, Shahinoor Dulal; Fun, Hoong-Kun; Didierjean, Claude","[1,3-Bis(diphenylphosphino)propane]tetracarbonylchromium(0)","Acta Crystallographica Section E","2006","62","5","m1086","m1087","10.1107/S1600536806013638","","","0.71073","MoKα","","","0.0377","","","","0.1061","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208856","8.087","0.0014","9.6175","0.0017","26.795","0.005","90","","94.964","0.003","90","","2076.2","0.6","291","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-Bromo-4,5-dimethoxybenzaldehyde oxime","","- C9 H10 Br N O3 -","- C9 H10 Br N O3 -","- C72 H80 Br8 N8 O24 -","8","2","CV2032","Xiang Li; Da-Min Tian","(<i>E</i>)-2-Bromo-4,5-dimethoxybenzaldehyde oxime","Acta Crystallographica Section E","2006","62","5","o1946","o1947","10.1107/S160053680601364X","","","0.71073","MoKα","","0.0766","0.0438","","","0.0949","0.1073","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208857","24.292","0.004","7.7382","0.0012","9.1824","0.0015","90","","92.509","0.002","90","","1724.4","0.5","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-dihydro-1,5-benzothiazepin-4(5H)-one","","- C9 H9 N O S -","- C9 H9 N O S -","- C72 H72 N8 O8 S8 -","8","2","CV2035","Bing-Yi Qin; Gui-Long Zhao","2,3-Dihydro-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1831","o1832","10.1107/S1600536806012682","","","0.71073","MoKα","","0.0501","0.0431","","","0.104","0.108","","","","","","1.078","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208858","4.8983","0.0008","8.821","0.0014","11.981","0.002","90","","93.711","0.003","90","","516.59","0.15","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Butane-1,4-diammonium diiodide","","- C4 H14 I2 N2 -","- C4 H14 I2 N2 -","- C8 H28 I4 N4 -","2","0.5","CV2037","Lemmerer, Andreas; Billing, David G.","Butane-1,4-diammonium diiodide","Acta Crystallographica Section E","2006","62","5","o1954","o1956","10.1107/S1600536806014012","","","0.71073","MoKα","","","0.0192","","","","0.0484","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208859","9.1519","0.0004","9.5797","0.0005","10.2796","0.0005","73.04","0.002","89.016","0.002","69.567","0.002","804.19","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","trans-Bromocarbonylbis(triphenylphosphine)rhodium","","- C37.43 H30 Br0.57 O1.43 P2 Rh -","- C37.434 H30 Br0.566 O1.434 P2 Rh -","- C37.434 H30 Br0.566 O1.434 P2 Rh -","1","0.5","CV2038","Steyl, Gideon; Kirsten, Leo; Muller, Alfred; Roodt, Andreas","<i>trans</i>-Bromocarbonylbis(triphenylphosphine)rhodium","Acta Crystallographica Section E","2006","62","5","m1127","m1129","10.1107/S1600536806014619","","","0.71073","MoKα","","0.0189","0.0179","","","0.046","0.0465","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2208860","4.604","0.002","11.049","0.004","22.3554","0.0018","90","","96.57","0.02","90","","1129.7","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 3-(4-methylbenzylidene)dithiocarbazate","","- C10 H12 N2 S2 -","- C10 H12 N2 S2 -","- C40 H48 N8 S8 -","4","1","CV2039","Shang Shan; Yan-Ling Zhang","Methyl 3-(4-methylbenzylidene)dithiocarbazate","Acta Crystallographica Section E","2006","62","5","o2051","o2052","10.1107/S1600536806013493","","","0.71073","MoKα","","0.048","0.036","","","0.101","0.105","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208861","10.198","0.003","10.75","0.004","11.222","0.004","75.111","0.005","65.663","0.005","86.438","0.006","1082","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(9-anthracylidene)hydrazine","","- C30 H20 N2 -","- C30 H20 N2 -","- C60 H40 N4 -","2","1","CV2041","Peng-Wu Zheng; Bing Zhao","<i>N</i>,<i>N</i>'-Bis(9-anthracenylidene)hydrazine","Acta Crystallographica Section E","2006","62","5","o2077","o2078","10.1107/S1600536806014693","","","0.71073","MoKα","","0.111","0.0498","","","0.1181","0.1521","","","","","","0.958","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208862","9.394","0.003","5.0879","0.0015","12.87","0.004","90","","102.301","0.004","90","","601","0.3","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-Chlorofuran-2-carbaldehyde oxime","","- C5 H4 Cl N O2 -","- C5 H4 Cl N O2 -","- C20 H16 Cl4 N4 O8 -","4","1","CV2046","Xi-Zhao Wang; Jiong Jia; Jian-Wu Wang","(<i>Z</i>)-5-Chlorofuran-2-carbaldehyde oxime","Acta Crystallographica Section E","2006","62","5","o2086","o2087","10.1107/S160053680601508X","","","0.71073","MoKα","","0.0484","0.0431","","","0.1297","0.1356","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208863","7.2429","0.0006","10.6794","0.0009","12.6156","0.0011","83.864","0.001","74.835","0.001","79.867","0.001","925.24","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","[Tetraamminebis(4-nitrobenzoate-κO)copper(II)]","","- C14 H20 Cu N6 O8 -","- C14 H20 Cu N6 O8 -","- C28 H40 Cu2 N12 O16 -","2","1","DN2011","Qu, Yang; Peng, Jian-Jun","Tetraamminebis(4-nitrobenzoato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2006","62","5","m952","m953","10.1107/S1600536806011081","","","0.71073","MoKα","","0.0516","0.0419","","","0.1017","0.1072","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208864","10.139","0.004","10.652","0.005","12.827","0.007","73.255","0.018","83.517","0.019","89.185","0.015","1317.9","1.1","243","1","","","","","","","","","","6","P -1","-P 1","2","","2-(4-chlorophenyl)-<i>N</i>-{3-cyano-1-[2,6-dichloro-4- (trifluoromethyl)phenyl]-1<i>H</i>-pyrazol-5-yl}-3-methylbutanamide ethanol solvate","","- C24 H22 Cl3 F3 N4 O2 -","- C24 H22 Cl3 F3 N4 O2 -","- C48 H44 Cl6 F6 N8 O4 -","2","1","DN2016","Jing-Li Cheng; Fang-Lin Wei; Wen-Jun Gui; Guo-Nian Zhu","2-(4-Chlorophenyl)-<i>N</i>-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazol-5-yl}-3-methylbutanamide ethanol solvate","Acta Crystallographica Section E","2006","62","5","o1836","o1838","10.1107/S1600536806010208","","","0.71075","MoKα","","","0.0532","","","","0.1884","","","","","","1.008","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2208865","8.1259","0.001","8.2644","0.0011","10.6641","0.0013","87.136","0.011","78.29","0.01","61.155","0.009","613.28","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","3-(o-methoxyanilino)phthalide","3-(2-Methoxyanilino)isobenzofuran-1(3H)-one","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","DN2017","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(2-Methoxyanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1884","o1885","10.1107/S1600536806012815","","","0.71073","MoKα","","0.0593","0.0402","","","0.0915","0.0996","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208866","10.4099","0.0007","8.2868","0.0006","19.1371","0.0014","90","","103.483","0.001","90","","1605.4","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,9a-Diphenyl-1,3,4,6,7,9a-hexahydro-2H-pyrazino[1,2-a]pyrimidine","","- C19 H21 N3 -","- C19 H21 N3 -","- C76 H84 N12 -","4","1","DN2018","Jonathan White; W. David McFadyen; Michael Carland; William A. Denny; Vincent Murray","9,9a-Diphenyl-1,3,4,6,7,9a-hexahydro-2<i>H</i>-pyrazino[1,2-<i>a</i>]pyrimidine at 130 K","Acta Crystallographica Section E","2006","62","5","o1846","o1848","10.1107/S1600536806012463","","","0.71073","MoKα","","0.0476","0.0385","","","0.0974","0.1015","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208867","12.224","0.002","8.088","0.0016","32.711","0.006","90","","103.015","0.006","90","","3151","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(4-Nitrobenzyl)quinolinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)palladium(III) acetone solvate","","- C25 H19 N2 O3 Pd S10 -","- C25 H19 N2 O3 Pd S10 -","- C100 H76 N8 O12 Pd4 S40 -","4","1","DN2021","Shuang-Quan Zang; Yang Su; Ruo-Jie Tao","<i>N</i>-(4-Nitrobenzyl)quinolinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)palladium(III) acetone solvate","Acta Crystallographica Section E","2006","62","5","m1002","m1003","10.1107/S1600536806012049","","","0.71073","MoKα","","0.0752","0.0443","","","0.08","0.0865","","","","","","1.132","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208868","5.5117","0.0004","25.419","0.003","8.197","0.0007","90","","96.634","0.006","90","","1140.73","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3t,4t-dicarboxytetrahydrofuran-2r,5c-dicarboxylate","","- C10 H12 O9 -","- C10 H12 O9 -","- C40 H48 O36 -","4","1","DN2022","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","Dimethyl 3<i>t</i>,4<i>t</i>-dicarboxytetrahydrofuran-2<i>r</i>,5<i>c</i>-dicarboxylate","Acta Crystallographica Section E","2006","62","5","o1724","o1726","10.1107/S1600536806011755","","","0.71073","MoKα","","0.0538","0.0392","","","0.0909","0.1004","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208869","10.0899","0.0011","10.2174","0.0011","10.5201","0.0011","114.223","0.001","94.019","0.001","101.309","0.001","956.01","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1-Chloro-4-octyloxythioxanthone","1-chloro-4-octyloxy-10-thiaanthracen-9-one","","- C21 H23 Cl O2 S -","- C21 H23 Cl O2 S -","- C42 H46 Cl2 O4 S2 -","2","1","DN2023","Xiao-Juan Ji; Xuan-Gan Liu; Guo-Wu Rao","1-Chloro-4-octyloxy-10-thiaanthracen-9-one","Acta Crystallographica Section E","2006","62","5","o1891","o1892","10.1107/S160053680601316X","","","0.71073","MoKα","","0.0564","0.0436","","","0.108","0.1186","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208870","10.7111","0.0012","4.415","0.0006","14.9541","0.0018","90","","95.053","0.014","90","","704.42","0.15","203","2","203","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","2-(Cyclohexa-1,4-dienyl)acetic acid","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","DN2025","Therrien, Bruno; Süss-Fink, Georg","2-(Cyclohexa-1,4-dienyl)acetic acid","Acta Crystallographica Section E","2006","62","5","o1877","o1878","10.1107/S1600536806013158","","","0.71073","MoKα","","0.0599","0.043","","","0.1105","0.122","","","","","","0.977","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208871","22.023","0.007","9.57","0.002","8.339","0.002","90","","108.3","0.02","90","","1668.6","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-Bis(3,4-dicyanophenoxy)-2-butyne","","- C20 H10 N4 O2 -","- C20 H10 N4 O2 -","- C80 H40 N16 O8 -","4","0.5","DN2026","Yavuz Köysal; Ayşen Ağar; Nesuhi Akdemir; Şamil Işık","1,4-Bis(3,4-dicyanophenoxy)-2-butyne","Acta Crystallographica Section E","2006","62","5","o1989","o1990","10.1107/S1600536806013791","","","0.71073","MoKα","","0.0743","0.0382","","","0.0785","0.0907","","","","","","0.992","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208872","12.9256","0.0014","7.2383","0.001","15.6115","0.0016","90","","122.196","0.007","90","","1236","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-(p-chloroanilino)phthalide","3-(4-chloroanilino)isobenzofuran-1(3H)-one","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C56 H40 Cl4 N4 O8 -","4","1","DN2027","Büyükgüngör, Orhan; Odabaşoğlu, Mustafa","3-(4-Chloroanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o2003","o2004","10.1107/S160053680601436X","","","0.71073","MoKα","","0.1035","0.055","","","0.1181","0.1392","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208873","17.269","0.002","7.5203","0.0008","22.0868","0.001","90","","108.524","0.007","90","","2719.8","0.5","297","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Acetyl-7-(diethylamino)coumarin","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C120 H136 N8 O24 -","8","1","DN2031","Hamaker, Christopher G.; McCully, Charles S.","3-Acetyl-7-(diethylamino)coumarin","Acta Crystallographica Section E","2006","62","5","o2072","o2074","10.1107/S1600536806014899","","","0.71073","MoKα","","","0.051","","","","0.1992","","","","","","1.184","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208874","6.3425","0.0007","14.0242","0.0015","15.1156","0.0016","90","","90","","90","","1344.5","0.3","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pterodontic acid","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","ER6042","Mei, Zhi-Nan; Li, Yun-Fang; Yu, Xin; Yang, Guang-Zhong","Pterodontic acid","Acta Crystallographica Section E","2006","62","5","o1841","o1843","10.1107/S1600536806012566","","","0.71073","MoKα","","0.052","0.0467","","","0.123","0.1261","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208875","6.3452","0.0012","14.032","0.003","15.132","0.003","90","","90","","90","","1347.3","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Eudesmane-5,12-dien-13-oic acid","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","ER6043","Ying-Qian Xu; Yue-Dong Lv; Yan-Ling Quan","Eudesma-5,12-dien-13-oic acid from <i>Laggera pterodonta</i>","Acta Crystallographica Section E","2006","62","5","o1844","o1845","10.1107/S1600536806012529","","","0.71073","MoKα","","0.0579","0.0386","","","0.0935","0.1054","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208876","11.3969","0.0017","12.911","0.002","28.337","0.004","90","","90","","90","","4169.7","1.1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(di-2-pyridylaminato N,N'-dioxide)nickel(II) methanol solvate","","- C21 H20 N6 Ni O5 -","- C21 H20 N6 Ni O5 -","- C168 H160 N48 Ni8 O40 -","8","1","EZ2001","Kuang, Han-Mao; Zeng, Xi-Rui; Liu, Yin-Qiu; Luo, Qiu-Yan; Fang, Xiao-Niu","Bis[bis(1-oxo-2-pyridyl)aminato]nickel(II) methanol solvate","Acta Crystallographica Section E","2006","62","5","m1132","m1133","10.1107/S1600536806014383","","","0.71073","MoKα","","0.059","0.036","","","0.087","0.097","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208877","30.539","0.001","10.051","0.001","7.748","0.001","90","","95.74","0.01","90","","2366.3","0.4","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-cis-Bromo-2,2,6,6-tetramethyltetrahydropyran-3-carboxylic acid","","- C10 H17 Br O3 -","- C10 H17 Br O3 -","- C80 H136 Br8 O24 -","8","1","FL2009","Hartung, Jens; Greb, Marco; Svoboda, Ingrid; Fuess, Hartmut","5-<i>cis</i>-Bromo-2,2,6,6-tetramethyltetrahydropyran-3-carboxylic acid","Acta Crystallographica Section E","2006","62","5","o1918","o1919","10.1107/S1600536806012499","","","0.71073","MoKα","","0.0846","0.0429","","","0.1161","0.1346","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208878","8.692","0.009","5.083","0.002","19.068","0.003","90","","98.408","0.0018","90","","833.4","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-(2,5-Dimethyl-1,4-phenylenemethylene)di-1H-imidazole dihydrate","","- C16 H22 N4 O2 -","- C16 H22 N4 O2 -","- C32 H44 N8 O4 -","2","0.5","FL2013","Wang, Wen-Hua; Dou, Wei; You, Zhong-Lu; Liu, Wei-Sheng; Da-Qi Wang","1,1'-(2,5-Dimethyl-1,4-phenylenemethylene)di-1<i>H</i>-imidazole dihydrate","Acta Crystallographica Section E","2006","62","5","o1733","o1734","10.1107/S1600536806011706","","","0.71073","MoKα","","0.1172","0.0603","","","0.1628","0.1991","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208879","29.599","0.006","11.359","0.002","5.1586","0.001","90","","90","","90","","1734.4","0.6","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","dicyclohexylamine‒cyclohexanone oxime (1/1)","","- C18 H34 N2 O -","- C18 H34 N2 O -","- C72 H136 N8 O4 -","4","1","FL2015","Chetina, Olga V.; Yufit, Dmitry S.; Howard, Judith A. K.","A 1:1molecular complex of dicyclohexylamine and cyclohexanone oxime","Acta Crystallographica Section E","2006","62","5","o2053","o2055","10.1107/S1600536806014310","","","0.71073","Mo-Kα","","0.0565","0.0371","","","0.0821","0.094","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208880","7.634","0.0012","8.894","0.0014","11.0219","0.0018","83.129","0.013","70.328","0.012","71.382","0.012","667.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","1-(3-Chlorobenzoyl)-3-phenylthiourea","1-(3-Chlorobenzoyl)-3-phenylthiourea","","- C14 H11 Cl N2 O S -","- C14 H11 Cl N2 O S -","- C28 H22 Cl2 N4 O2 S2 -","2","1","FL2016","Khawar Rauf, M.; Badshah, Amin; Bolte, Michael","1-(3-Chlorobenzoyl)-3-phenylthiourea","Acta Crystallographica Section E","2006","62","5","o1859","o1860","10.1107/S1600536806012773","","","0.71073","MoKα","","0.0414","0.0374","","","0.099","0.1016","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208881","24.509","0.003","4.9846","0.0005","5.8103","0.0006","90","","90","","90","","709.83","0.13","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1,5-Bis(4-chlorophenyl)penta-1,4-dien-3-one","","- C17 H12 Cl2 O -","- C17 H12 Cl2 O -","- C34 H24 Cl4 O2 -","2","0.5","FL2017","Butcher, Ray J.; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Vijaya Raj, K. K.","1,5-Bis(4-chlorophenyl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2006","62","5","o1973","o1975","10.1107/S1600536806014024","","","0.71073","MoKα","","0.0951","0.0794","","","0.2283","0.2446","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208882","3.685","0.0018","7.074","0.004","16.073","0.008","90","","94.978","0.011","90","","417.4","0.4","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","β-2-nitro-trans-cinnamic acid","trans-3-(2-nitrophenyl)prop-2-enoic acid","","- C9 H7 N O4 -","- C9 H7 N O4 -","- C18 H14 N2 O8 -","2","1","FL2018","Graham Smith; Urs D. Wermuth; David J. Young; Jonathan M. White","The β-form of <i>trans</i>-3-(2-nitrophenyl)prop-2-enoic acid at 130K","Acta Crystallographica Section E","2006","62","5","o2024","o2026","10.1107/S1600536806014048","","","0.71073","MoKα","","0.1469","0.0628","","","0.0898","0.1108","","","","","","0.811","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208883","10.4507","0.0014","9.2317","0.0012","11.9817","0.0016","90","","104.691","0.002","90","","1118.2","0.3","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","5-(4-Fluorobenzylamino)-3,6-diphenyl-2-thioxo-2,3-dihydro-1,3- thiazolo[4,5-d]pyrimidin-7(6H)-one","","- C24 H17 F N4 O S2 -","- C24 H17 F N4 O S2 -","- C48 H34 F2 N8 O2 S4 -","2","1","FL2019","Zhang, Qian","5-(4-Fluorobenzylamino)-3,6-diphenyl-2-thioxo-2,3-dihydro-1,3-thiazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o2062","o2063","10.1107/S1600536806014620","","","0.71073","MoKα","","0.065","0.0526","","","0.1482","0.1763","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208884","13.7118","0.0007","8.954","0.0005","12.8244","0.0006","90","","101.558","0.002","90","","1542.59","0.14","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,5-Bis(hydroxymethyl)-1,3-dithiole-2-thione","","- C5 H6 O2 S3 -","- C5 H6 O2 S3 -","- C40 H48 O16 S24 -","8","1","GH2005","Pløger, Jane M.; Petersen, Bo M.; Bond, Andrew D.; Jeppesen, Jan O.","4,5-Bis(hydroxymethyl)-1,3-dithiole-2-thione","Acta Crystallographica Section E","2006","62","5","o2066","o2068","10.1107/S1600536806014140","","","0.71073","MoKα","","0.038","0.0358","","","0.0811","0.0816","","","","","","1.361","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208885","15.384","0.002","17.603","0.002","19.469","0.002","90","","90","","90","","5272.3","1.1","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(η^3^-Allyl)bromo(η^5^-cyclopentadienyl)(phenylaminodiphenylphosphine- κP)ruthenium(IV) hexafluorophosphate","","- C26 H26 Br F6 N P2 Ru -","- C26 H26 Br F6 N P2 Ru -","- C208 H208 Br8 F48 N8 P16 Ru8 -","8","1","GK2003","Pavlik, Sonja; Kirchner, Karl; Mereiter, Kurt","(η^3^-Allyl)bromo(η^5^-cyclopentadienyl)(phenylaminodiphenylphosphine-κ<i>P</i>)ruthenium(IV) hexafluorophosphate","Acta Crystallographica Section E","2006","62","5","m1051","m1053","10.1107/S1600536806012712","","","0.71073","MoKα","","0.0401","0.0234","","","0.0493","0.0558","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208886","7.9786","0.0005","26.4255","0.0015","11.6508","0.0008","90","","107.048","0.003","90","","2348.5","0.3","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Gd~2~(BDC)~3~H~2~O]~n~","Poly[aquabis(μ~4~-benzene-1,2-dicarboxylato)(μ~3~-benzene-1,2- dicarboxylato)digadolinium(III)]","","- C24 H14 Gd2 O13 -","- C24 H14 Gd2 O13 -","- C96 H56 Gd8 O52 -","4","1","HB2010","Ze-Rong Meng; Quan-Zheng Zhang; Xiao-Yuan Wu; Li-Juan Chen; Can-Zhong Lu","Poly[aquabis(μ~4~-benzene-1,2-dicarboxylato)(μ~3~-benzene-1,2-dicarboxylato)digadolinium(III)]","Acta Crystallographica Section E","2006","62","5","m1033","m1035","10.1107/S1600536806011433","","","0.71073","MoKα","","0.0524","0.0428","","","0.1034","0.1113","","","","","","1.055","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2208887","16.123","0.002","11.0953","0.0015","20.309","0.003","90","","113.059","0.002","90","","3342.8","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ~2~-chloro-1:2κ^2^Cl,3:4κ^2^Cl-chloro-4κCl-(6-chloropyridine- 3-carboxylato-1κ^2^O,O')octamethyl-1κ^2^C,2κ^2^C,3κ^2^C,4κ^2^C- di-μ~3~-oxo-1:2:3κ^3^O,2:3:4κ^3^O-tetratin(IV) diethyl ether solvate","","- C18 H37 Cl4 N O5 Sn4 -","- C14 H27 Cl4 N O4 Sn4 -","- C56 H108 Cl16 N4 O16 Sn16 -","4","1","HB2023","Fa-Hui li; Han-Dong Yin; Qiang Zhao; Wen-Li Liu","Di-μ~2~-chloro-1:2κ^2^<i>Cl</i>,3:4κ^2^<i>Cl</i>-chloro-4κ<i>Cl</i>-(6-chloropyridine-3-carboxylato-1κ^2^<i>O</i>,<i>O</i>')octamethyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-di-μ~3~-oxo-1:2:3κ^3^<i>O</i>,2:3:4κ^3^<i>O</i>-tetratin(IV) diethyl ether solvate","Acta Crystallographica Section E","2006","62","5","m1117","m1118","10.1107/S1600536806013754","","","0.71073","MoKα","","0.0604","0.0319","","","0.0777","0.0887","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208888","13.169","0.004","20.089","0.006","9.319","0.003","90","","94.785","0.004","90","","2456.8","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Morpholine-1-dithiocarboxylato-κ^2^S,S')bis(piperidine-1- dithiocarboxylato-κ^2^S,S')bismuth(III)","","- C17 H28 Bi N3 O S6 -","- C17 H28 Bi N3 O S6 -","- C68 H112 Bi4 N12 O4 S24 -","4","1","HB2024","Feng Li; Han-Dong Yin; Jun Zhai; Da-Qi Wang","(Morpholine-1-dithiocarboxylato-κ^2^<i>S</i>,<i>S</i>')bis(piperidine-1-dithiocarboxylato-κ^2^<i>S</i>,<i>S</i>')bismuth(III)","Acta Crystallographica Section E","2006","62","5","m1083","m1085","10.1107/S1600536806013626","","","0.71073","MoKα","","0.0558","0.0361","","","0.0817","0.0912","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208889","5.1736","0.0003","5.1736","0.0003","14.1457","0.0011","90","","90","","120","","327.9","0.04","297","1","297","1","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","tetracobalt diniobium nonaoxide","","- Co4 Nb2 O9 -","- Co4 Nb2 O9 -","- Co8 Nb4 O18 -","2","0.166667","HB2026","Castellanos R., María A.; Bernès, Sylvain; Vega-González, Marina","Redetermination of Co~4~Nb~2~O~9~ by single-crystal X-ray methods","Acta Crystallographica Section E","2006","62","5","i117","i119","10.1107/S1600536806012141","","","0.71073","MoKα","","0.0374","0.0309","","","0.0762","0.0794","","","","","","1.284","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208890","11.14","0.003","7.518","0.002","24.123","0.006","90","","102.207","0.009","90","","1974.6","0.9","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-3-Ferroceneyl-1-(4-tolylphenyl)prop-2-en-1-one","","- C26 H22 Fe O -","- C26 H22 Fe O -","- C104 H88 Fe4 O4 -","4","2","HB2028","Teng, Ming-Yu; Mao, Xin-Biao; Song, Qing-Bao; Tiekink, Edward R. T.","(<i>E</i>)-3-Ferrocenyl-1-(4-tolylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","5","m968","m970","10.1107/S1600536806011767","","","0.71069","MoKα","","0.05","0.041","","","0.098","0.101","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208891","8.685","0.003","8.946","0.003","12.395","0.004","79.66","0.006","71.659","0.005","82.709","0.005","896.7","0.5","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","{2-[2-(1H-1,3-Benzimidazol-2-yl)ethyliminomethyl]-4- chlorophenolato}thiocyanatocopper(II) monohydrate","","- C17 H15 Cl Cu N4 O2 S -","- C17 H15 Cl Cu N4 O2 S -","- C34 H30 Cl2 Cu2 N8 O4 S2 -","2","1","HB2029","Qiu, Xiao-Hang; Zhao, Jun; Tong, Xiao-Lan","{2-[2-(1<i>H</i>-1,3-Benzimidazol-2-yl)ethyliminomethyl]-4-chlorophenolato}thiocyanatocopper(II) monohydrate","Acta Crystallographica Section E","2006","62","5","m977","m979","10.1107/S1600536806011913","","","0.71073","MoKα","","0.086","0.042","","","0.085","0.101","","","","","","1.02","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2208892","25.097","0.005","10.991","0.002","17.499","0.003","90","","101.28","0.03","90","","4733.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-aminopyridine)dibenzoatocobalt(II)","","- C24 H22 Co N4 O4 -","- C24 H22 Co N4 O4 -","- C192 H176 Co8 N32 O32 -","8","1","HB2030","Ju, Wen-Zheng; Jiao, Rui-Hua; Cao, Ping; Fang, Rui-Qin","Bis(2-aminopyridine)dibenzoatocobalt(II)","Acta Crystallographica Section E","2006","62","5","m1012","m1013","10.1107/S1600536806011925","","","0.71073","MoKα","","0.034","0.0305","","","0.0831","0.0862","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208893","17.3368","0.0003","17.3368","0.0003","18.8696","0.0004","90","","90","","90","","5671.53","0.18","120","2","120","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","Di-μ-pyridyl-1:2κ^2^N:C^2^;2:1κ^2^N:C^2^-μ-tetrahydrofuran-κ^2^O:O- bis[bromo(tetrahydrofuran)magnesium(II)] tetrahydrofuran hemisolvate","","- C24 H36 Br2 Mg2 N2 O3.5 -","- C24 H36 Br2 Mg2 N2 O3.5 -","- C192 H288 Br16 Mg16 N16 O28 -","8","0.5","HB2034","Churakov, Andrei V.; Krut'ko, Dmitry P.; Borzov, Maxim V.; Kirsanov, Roman S.; Belov, Sergei A.; Howard, Judith A. K.","Di-μ-pyridyl-1:2κ^2^<i>N</i>:<i>C</i>^2^;2:1κ^2^<i>N</i>:<i>C</i>^2^-μ-tetrahydrofuran-κ^2^<i>O</i>:<i>O</i>-bis[bromo(tetrahydrofuran)magnesium(II)] tetrahydrofuran hemisolvate","Acta Crystallographica Section E","2006","62","5","m1094","m1096","10.1107/S1600536806013742","","","0.71073","MoKα","","0.0799","0.039","","","0.0771","0.0852","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208894","10.7915","0.001","12.2186","0.0011","13.5664","0.0012","69.072","0.001","89.275","0.001","84.607","0.001","1663","0.3","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","[N,N'-Bis(diphenylphosphino)pyridine-2,6-diamine- κ^3^P,N^1^,P']chloropalladium(II) chloride monohydrate 1,2-dichloroethane solvate","","- C31 H31 Cl4 N3 O P2 Pd -","- C31.004 H31 Cl4 N3 O P2 Pd -","- C62.008 H62 Cl8 N6 O2 P4 Pd2 -","2","1","HB2037","Wiedermann, Julia; Benito-Garagorri, David; Kirchner, Karl; Mereiter, Kurt","[<i>N</i>,<i>N</i>'-Bis(diphenylphosphino)pyridine-2,6-diamine-κ^3^<i>P</i>,<i>N</i>^1^,<i>P</i>']chloropalladium(II) chloride monohydrate 1,2-dichloroethane solvate","Acta Crystallographica Section E","2006","62","5","m1106","m1108","10.1107/S1600536806014188","","","0.71073","MoKα","","0.0467","0.035","","","0.0836","0.0896","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208895","13.927","0.009","11.7","0.01","31.83","0.02","90","","90","","90","","5187","6","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[bis[1,3,5-tris(imidazol-1-ylmethyl)-2,4,6- trimethylbenzene]hexabromotrimercury(II)]","","- C42 H48 Br6 Hg3 N12 -","- C42 H48 Br6 Hg3 N12 -","- C168 H192 Br24 Hg12 N48 -","4","0.5","HB2038","Xiao-Feng Wang; Yang Lv; Taka-aki Okamura; Wei-Yin Sun; Norikazu Ueyama","Poly[hexabromobis[μ~3~-1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene]trimercury(II)]","Acta Crystallographica Section E","2006","62","5","m1124","m1126","10.1107/S1600536806014607","","","0.71075","MoKα","","0.0582","0.0291","","","0.0308","0.0316","","","","","","0.957","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208896","22.3226","0.0017","16.5842","0.0013","7.2972","0.0006","90","","90","","90","","2701.4","0.4","298","2","298","2","","","","","","","","6","A m a 2","A 2 -2a","40","[PPh~4~][Fe(CH~3~CN)Br~3~]","Tetraphenylphosphonium acetonitriletribromoferrate(II)","","- C26 H23 Br3 Fe N P -","- C26 H23 Br3 Fe N P -","- C104 H92 Br12 Fe4 N4 P4 -","4","0.5","HB2039","Garagorri-Benito, David; Kirchner, Karl; Mereiter, Kurt","Tetraphenylphosphonium acetonitriletribromoferrate(II)","Acta Crystallographica Section E","2006","62","5","m1136","m1138","10.1107/S1600536806014504","","","0.71073","MoKα","","0.0613","0.0458","","","0.1144","0.124","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208897","6.9135","0.0007","7.3389","0.0008","12.183","0.001","86.09","0.01","82.18","0.01","63.75","0.01","549.21","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(1',5',5-Trimethyl-3,3'-bi-1H-pyrazol-1-yl)ethanol","","- C11 H16 N4 O -","- C11 H16 N4 O -","- C22 H32 N8 O2 -","2","1","HG2018","Attayibat, Ahmed; Radi, Smaail; Ramdani, Abdelkrim; Eddike, Driss; Tillard, Monique; Belin, Claude","2-(1',5',5-Trimethyl-3,3'-bi-1<i>H</i>-pyrazol-1-yl)ethanol","Acta Crystallographica Section E","2006","62","5","o1908","o1909","10.1107/S1600536806012864","","","0.71073","MoKα","","0.0592","0.0492","","","0.118","0.1249","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208898","13.5299","0.0008","12.8959","0.0012","20.6136","0.0013","90","","104.778","0.007","90","","3477.7","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ-Chloro-μ-diphenylphosphido-μ-hydrido- bis[(η^6^-hexamethylbenzene)ruthenium(II)] tetrafluoroborate","","- C36 H47 B Cl F4 P Ru2 -","- C36 H47 B Cl F4 P Ru2 -","- C144 H188 B4 Cl4 F16 P4 Ru8 -","4","1","HG2020","Tschan, Mathieu Jean-Luc; Therrien, Bruno; Süss-Fink, Georg","μ-Chloro-μ-diphenylphosphido-μ-hydrido-bis[(η^6^-hexamethylbenzene)ruthenium(II)] tetrafluoroborate","Acta Crystallographica Section E","2006","62","5","m954","m956","10.1107/S1600536806011573","","","0.71073","MoKα","","0.0542","0.0325","","","0.0779","0.0965","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208899","9.0343","0.0018","9.2051","0.0018","19.152","0.004","90","","90","","90","","1592.7","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(Dibenzoylamino)pyridine","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C76 H56 N8 O8 -","4","1","HG2021","Yan-Bo Weng; Jing-Kang Wang; Yan-Fei Wang","2-(Dibenzoylamino)pyridine","Acta Crystallographica Section E","2006","62","5","o1868","o1869","10.1107/S1600536806012852","","","0.71073","MoKα","","0.0305","0.0279","","","0.0841","0.0858","","","","","","1.164","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208900","12.271","0.002","6.0279","0.0011","17.236","0.003","90","","101.219","0.004","90","","1250.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[4-(dimethylamino)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')cuprate(II)","","- C22 H22 Cu N8 S4 -","- C22 H22 Cu N8 S4 -","- C44 H44 Cu2 N16 S8 -","2","0.5","HG2022","H. Zhou; X.-M. Ren","Bis[4-(dimethylamino)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cuprate(II)","Acta Crystallographica Section E","2006","62","5","m1119","m1121","10.1107/S1600536806014358","","","0.71073","MoKα","","0.0955","0.0613","","","0.1257","0.138","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208901","16.9865","0.0014","7.2085","0.0006","22.1444","0.0018","90","","92.022","0.001","90","","2709.8","0.4","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Benzoylhydrazono-1,4-dihydroquinazoline monohydrate","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C120 H112 N32 O16 -","8","1","HG2023","Xiu-Wen Li; Zhang-Lan Qin; Ting Wan","4-Benzoylhydrazono-1,4-dihydroquinazoline monohydrate","Acta Crystallographica Section E","2006","62","5","o1789","o1790","10.1107/S1600536806011949","","","0.71073","MoKα","","0.0569","0.0514","","","0.1448","0.1495","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208902","16.0883","0.0003","19.262","0.0004","22.2566","0.0004","90","","90","","90","","6897.2","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Triaquatetrakis(dimethylacetamide-κO)gadolinium(III) hexacyanoferrate(III) dihydrate","","- C22 H46 Fe Gd N10 O9 -","- C22 H46 Fe Gd N10 O9 -","- C176 H368 Fe8 Gd8 N80 O72 -","8","1","HG2026","Svendsen, Helle; Overgaard, Jacob; Chevalier, Marie A.; Iversen, Bo B.","Triaquatetrakis(dimethylacetamide-κ<i>O</i>)gadolinium(III) hexacyanoferrate(III) dihydrate","Acta Crystallographica Section E","2006","62","5","m989","m991","10.1107/S1600536806011950","","","0.71073","MoKα","","0.0402","0.0277","","","0.0675","0.0703","","","","","","1.279","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208903","13.115","0.005","13.115","0.005","39.441","0.015","90","","90","","90","","6784","4","168","2","168","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","1D-1,2,5,6-Tetra-O-methyl-3,4-di-O-phosphinoyl-chiro-inositol 2.5-hydrate","","- C34 H43 O10.5 P2 -","- C34 H42 O10.5 P2 -","- C272 H336 O84 P16 -","8","1","HG2027","Gainsford, Graeme J.; Lensink, Cornelis; Falshaw, Andrew","1<small>D</small>-1,2,5,6-Tetra-<i>O</i>-methyl-3,4-di-<i>O</i>-phosphinoyl-<i>chiro</i>-inositol 2.5-hydrate","Acta Crystallographica Section E","2006","62","5","o2099","o2101","10.1107/S1600536806015029","","","0.71073","MoKα","","0.256","0.0662","","","0.1345","0.1857","","","","","","0.85","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208904","7.406","0.001","11.77","0.001","16.123","0.001","90","","100.606","0.001","90","","1381.4","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro{2-[2-(ethylamino)ethyliminomethyl]phenolato}zinc(II)","","- C11 H16 Cl2 N2 O Zn -","- C11 H16 Cl2 N2 O Zn -","- C44 H64 Cl8 N8 O4 Zn4 -","4","1","HG2028","San-Jun Peng; Cong-Shan Zhou; Tao Yang","Dichloro{2-[2-(ethylamino)ethyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2006","62","5","m1147","m1149","10.1107/S1600536806014759","","","0.71073","MoKα","","0.0364","0.0302","","","0.0767","0.0796","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208905","25.777","0.011","9.67","0.004","13.476","0.006","90","","104.318","0.006","90","","3255","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[3-Methoxy-2-oxidobenzaldehyde (2-thienylcarbonyl)hydrazonato]dimethyltin(IV)","","- C15 H16 N2 O3 S Sn -","- C15 H16 N2 O3 S Sn -","- C120 H128 N16 O24 S8 Sn8 -","8","1","HK2015","Shao-Wen Chen; Han-Dong Yin","[3-Methoxy-2-oxidobenzaldehyde (2-thienylcarbonyl)hydrazonato]dimethyltin(IV)","Acta Crystallographica Section E","2006","62","5","m1024","m1026","10.1107/S1600536806011445","","","0.71073","MoKα","","0.0892","0.0665","","","0.2123","0.2362","","","","","","1.001","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208906","14.9595","0.0008","10.6537","0.0005","14.719","0.0008","90","","114.481","0.005","90","","2134.9","0.2","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Chlorobis(1,10-phenanthroline-κ^2^N,N')copper(II) dicyanamide","","- C26 H16 Cl Cu N7 -","- C26 H16 Cl Cu N7 -","- C104 H64 Cl4 Cu4 N28 -","4","0.5","HK2021","Potočňák, Ivan; Burčák, Milan; Dušek, Michal; Fejfarová, Karla","Chlorobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dicyanamide","Acta Crystallographica Section E","2006","62","5","m1009","m1011","10.1107/S1600536806012232","","","0.71069","MoKα","","0.0305","0.0245","","","0.0685","0.0709","","","","","","1.25","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208907","6.1216","0.0016","12.535","0.003","13.321","0.004","90","","90","","90","","1022.2","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Hydroxy-N-(2-pyridyl)benzamide","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","HK2022","Wang, Wen-Hua; You, Zhong-Lu; Liu, Wei-Sheng; Da-Qi Wang","2-Hydroxy-<i>N</i>-(2-pyridyl)benzamide","Acta Crystallographica Section E","2006","62","5","o1772","o1773","10.1107/S1600536806012244","","","0.71073","MoKα","","0.092","0.0461","","","0.111","0.1349","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208908","7.5712","0.0005","7.8467","0.0006","11.3069","0.001","91.882","0.008","92.124","0.007","117.234","0.006","595.92","0.09","297","2","","","","","","","","","","4","P -1","-P 1","2","","2-(Benzylsulfanyl)benzaldehyde azine","","- C28 H24 N2 S2 -","- C28 H24 N2 S2 -","- C28 H24 N2 S2 -","1","0.5","HK2024","Hamaker, Christopher G.; Oberts, Benjamin P.","2-(Benzylsulfanyl)benzaldehyde azine","Acta Crystallographica Section E","2006","62","5","o1780","o1781","10.1107/S1600536806012396","","","0.71073","MoKα","","","0.0335","","","","0.1011","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208909","10.443","0.002","12.324","0.003","18.927","0.004","90","","90","","90","","2435.9","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","16β-Bromo-17-hydroxypregn-4-ene-3,11,20-trione chloroform solvate","17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-1,6,7,8,9,10,12,13,14, 15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene-3,11-dione chloroform solvate","","- C22 H28 Br Cl3 O4 -","- C22 H28 Br Cl3 O4 -","- C88 H112 Br4 Cl12 O16 -","4","1","HK2025","Nie, Qiang; Wang, Jing-Kang; Zhou, Lina","16β-Bromo-17-hydroxypregn-4-ene-3,11,20-trione chloroform solvate","Acta Crystallographica Section E","2006","62","5","o1777","o1779","10.1107/S1600536806012220","","","0.71073","MoKα","","0.0657","0.0416","","","0.0842","0.0912","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208910","10.8379","0.0011","8.3682","0.0011","13.621","0.008","90","","95.92","0.03","90","","1228.8","0.8","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3α,7α,12α-Triformyloxy-24-nor-5β-chol-22-ene","","- C26 H38 O6 -","- C26 H38 O6 -","- C52 H76 O12 -","2","1","HK2027","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Tavares da Silva, E. J.; Fernandes Roleira, F. M.","3α,7α,12α-Triformyloxy-24-nor-5β-chol-22-ene","Acta Crystallographica Section E","2006","62","5","o1856","o1858","10.1107/S1600536806012669","","","1.54178","CuKα","","0.0702","0.0364","","","0.0952","0.1103","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208911","10.582","0.0007","12.5388","0.0009","19.425","0.0013","90","","90","","90","","2577.4","0.3","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1-Naphthyliminomethyl)phenol","","- C17 H13 N O -","- C17 H13 N O -","- C136 H104 N8 O8 -","8","1","HK2028","Cheng, Kui; Zhu, Hai-Liang; Liu, Jing-Jing; Gao, Meng; Zeng, Jun-He","2-(1-Naphthyliminomethyl)phenol","Acta Crystallographica Section E","2006","62","5","o1932","o1933","10.1107/S1600536806013341","","","0.71073","MoKα","","0.0564","0.0459","","","0.1234","0.1303","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208912","8.336","0.002","11.958","0.003","12.464","0.003","92.043","0.004","105.979","0.003","101.316","0.004","1165.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","bis[(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)(isothiocyanato- κ<i>N</i>)lead(II)] tetrakis(thiocyanato-κ<i>S</i>)palladium(II)","","- C30 H48 N6 O12 Pb2 Pd S6 -","- C30 H48 N6 O12 Pb2 Pd S6 -","- C30 H48 N6 O12 Pb2 Pd S6 -","1","0.5","HY2001","Ling-Qian Kong; Jian-Min Dou; Cheng-Juan Li; Da-Cheng Li; Da-Qi Wang","Bis[(18-crown-6)isothiocyanatolead(II)] tetrathiocyanatopalladate(II)","Acta Crystallographica Section E","2006","62","5","m1030","m1032","10.1107/S1600536806012530","","","0.71073","MoKα","","0.0527","0.0369","","","0.0864","0.0942","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208913","12.3199","0.0015","13.0849","0.0017","16.6349","0.0016","90","","90","","90","","2681.6","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(E)-5-[(3-Chlorophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde","","- C14 H11 Cl N2 O3 -","- C14 H11 Cl N2 O3 -","- C112 H88 Cl8 N16 O24 -","8","1","IS2010","Karadayı, Nevzat; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-5-[(3-Chlorophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde","Acta Crystallographica Section E","2006","62","5","o1699","o1701","10.1107/S1600536806009858","","","0.71073","MoKα","","0.076","0.0341","","","0.0564","0.0608","","","","","","0.934","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208914","29.245","0.011","11.54","0.005","14.945","0.006","90","","90","","90","","5044","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","dihippuratobis(imidazole)cobalt(II)","Bis(N-benzoylglycinato)diimidazolecobalt(II)","","- C24 H24 Co N6 O6 -","- C24 H24 Co N6 O6 -","- C192 H192 Co8 N48 O48 -","8","0.5","IS2017","Dobrzyńska, Danuta; Lis, Tadeusz; Woźniak, Joanna","Bis(<i>N</i>-benzoylglycinato)diimidazolecobalt(II)","Acta Crystallographica Section E","2006","62","5","m1006","m1008","10.1107/S1600536806011901","","","0.71073","MoKα","","0.0591","0.0391","","","0.0576","0.0605","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208915","28.745","0.006","12.653","0.002","11.588","0.002","90","","101.966","0.003","90","","4123.1","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3-Dimethylpyrrolidine-2,4-dione","","- C6 H9 N O2 -","- C6 H9 N O2 -","- C144 H216 N24 O48 -","24","3","IS2021","Hamzah, A. Sazali; Shaameri, Zurina; Yamin, Bohari M.","3,3-Dimethylpyrrolidine-2,4-dione","Acta Crystallographica Section E","2006","62","5","o1795","o1797","10.1107/S1600536806012372","","","0.71073","MoKα","","0.061","0.045","","","0.114","0.123","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208916","18.57","0.001","6.9335","0.0004","14.6389","0.0009","90","","90","","90","","1884.83","0.19","291","2","291","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Benzylideneacetophenone 2,4-dinitrophenylhydrazone","","- C21 H16 N4 O4 -","- C21 H16 N4 O4 -","- C84 H64 N16 O16 -","4","0.5","IS2022","Qian, Heng-Yu; Liu, Cheng; Yin, Zhi-Gang; Ng, Seik Weng","Benzylideneacetophenone 2,4-dinitrophenylhydrazone","Acta Crystallographica Section E","2006","62","5","o2017","o2018","10.1107/S160053680601378X","","","0.71073","MoKα","","0.0561","0.0377","","","0.1065","0.1204","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208917","29.059","0.003","6.2798","0.0007","8.9209","0.001","90","","90.299","0.002","90","","1627.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-Bis(4-methylphenyl)-3-oxapentanediamide","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","0.5","IS2023","Yong-Hong Wen; Hui-Ling Wen; Xue-Mei Li; Shu-Sheng Zhang","<i>N</i>,<i>N</i>'-Bis(4-methylphenyl)-3-oxapentanediamide","Acta Crystallographica Section E","2006","62","5","o1861","o1862","10.1107/S1600536806012797","","","0.71073","MoKα","","0.0546","0.0445","","","0.1244","0.1331","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208918","8.8008","0.0009","9.0837","0.0009","15.7827","0.0017","90","","101.47","0.002","90","","1236.5","0.2","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-3-(3-Phenylpropoxy)but-2-enoic acid","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","IS2024","Jing Li","(<i>E</i>)-3-(3-Phenylpropoxy)but-2-enoic acid","Acta Crystallographica Section E","2006","62","5","o1994","o1995","10.1107/S1600536806013778","","","0.71073","MoKα","","0.0846","0.0643","","","0.167","0.1791","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208919","8.6366","0.0005","18.1462","0.0012","14.3885","0.0011","90","","90","","90","","2255","0.3","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-(2-pyridylamino)phthalide","3-(2-pyridylamino)isobenzofuran-1(3H)-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","1","IS2028","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(2-Pyridylamino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o2079","o2080","10.1107/S1600536806014747","","","0.71073","MoKα","","0.1158","0.0622","","","0.1124","0.1316","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208920","7.0685","0.0014","7.1553","0.0014","8.1436","0.0016","90.39","0.03","107.51","0.03","114.06","0.03","354.68","0.17","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C16 H12 O8 -","2","1","JH2005","Li, Jiang-tao; Wang, Yong-li; Zhou, Li-na; Wang, Jing-kang","3,4-Methylenedioxybenzoic acid","Acta Crystallographica Section E","2006","62","5","o1893","o1894","10.1107/S1600536806010695","","","0.71073","MoKα","","0.0556","0.043","","","0.1267","0.1341","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208921","10.598","0.0002","16.293","0.0002","13.286","0.0002","90","","111.376","0.0009","90","","2136.32","0.06","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Antimony trifluoride [1.5]dibenzothia-18-crown-6 clathrate","6,7,9,10,12,13,15,16- octahydrodibenzo[n,q][1,4,7,10,13,16]pentaoxathiacyclooctadecine antimony(III) trifluoride clathrate","","- C20 H24 F3 O5 S Sb -","- C20 H24 F3 O5 S Sb -","- C80 H96 F12 O20 S4 Sb4 -","4","1","JH2007","Fonari, Marina S.; Ganin, Eduard V.; Gelmboldt, Vladimir O.; Lipkowski, Janusz; Kotlyar, Sergei A.; Kamalov, Gerbert L.","The 1:1 adduct of antimony trifluoride with [1.5]dibenzothia-18-crown-6","Acta Crystallographica Section E","2006","62","5","m1021","m1023","10.1107/S1600536806012451","","","0.71073","MoKα","","0.0213","0.0189","","","0.0447","0.0455","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208922","24.274","0.005","12.33","0.002","11.4763","0.0018","90","","90.761","0.006","90","","3434.5","1","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl- N-(3-pyridyl)cyclopropanecarboxamide acetone hemisolvate","","- C15.5 H17 Cl F3 N2 O1.5 -","- C15.5 H17 Cl F3 N2 O1.5 -","- C124 H136 Cl8 F24 N16 O12 -","8","1","JH2008","Liu, Dong-Qing; Feng, Ya-Qing; Liu, Da-Wei; Zhang, Sha-Sha","3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-<i>N</i>-(3-pyridyl)cyclopropanecarboxamide acetone hemisolvate","Acta Crystallographica Section E","2006","62","5","o1747","o1748","10.1107/S1600536806012062","","","0.71073","MoKα","","0.1297","0.0591","","","0.1658","0.2101","","","","","","1.028","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2208923","7.121","0.003","8.492","0.003","26.171","0.007","90","","90","","90","","1582.6","1","296","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Bromo-N-(3,4,5-trimethoxyphenyl)benzamide","","- C16 H16 Br N O4 -","- C16 H16 Br N O4 -","- C64 H64 Br4 N4 O16 -","4","1","JH2009","Na Xue; Xiu-Yang Lu; Yong-Zhou Hu","4-Bromo-<i>N</i>-(3,4,5-trimethoxyphenyl)benzamide","Acta Crystallographica Section E","2006","62","5","o2030","o2031","10.1107/S1600536806014486","","","0.71075","MoKα","","","0.0376","","","","0.0899","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208924","11.4642","0.0004","30.0972","0.001","3.902","0.0001","90","","90","","90","","1346.35","0.07","100","0.1","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Bromophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one","","- C15 H9 Br Cl2 O -","- C15 H9 Br Cl2 O -","- C60 H36 Br4 Cl8 O4 -","4","1","JH2010","P. S. Patil; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","1-(4-Bromophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","5","o1710","o1712","10.1107/S1600536806011287","","","0.71073","MoKα","","0.0524","0.0498","","","0.1243","0.1311","","","","","","1.196","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208925","13.7859","0.0002","6.7632","0.0001","21.6642","0.0003","90","","90","","90","","2019.9","0.05","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-dierbium(III)]","","- C20 H12 Er2 O12 -","- C20 H12 Er2 O12 -","- C80 H48 Er8 O48 -","4","0.5","JH2011","Qin He; Jun-Feng Zi; Fu-Juan Zhang","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-dierbium(III)]","Acta Crystallographica Section E","2006","62","5","m997","m998","10.1107/S160053680601213X","","","0.71073","MoKα","","0.0201","0.0162","","","0.0439","0.0451","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208926","9.4805","0.0009","10.0292","0.0012","13.2442","0.0006","69.979","0.003","69.134","0.006","68.493","0.002","1061.78","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[(2,2'-diquinolyl)zinc(II)]-μ-terephthalato]","","- C26 H16 N2 O4 Zn -","- C26 H16 N2 O4 Zn -","- C52 H32 N4 O8 Zn2 -","2","1","JH2012","Li, Zhao-Hui; Ao, Wen-Jiang; Wang, Xu-Xu; Fu, Xian-Zhi","<i>catena</i>-Poly[[(2,2'-diquinolyl)zinc(II)]-μ-terephthalato]","Acta Crystallographica Section E","2006","62","5","m1048","m1050","10.1107/S1600536806012748","","","0.71069","MoKα","","0.1288","0.074","","","0.1485","0.1773","","","","","","1.09","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208927","11.328","0.004","11.228","0.004","15.986","0.006","90","","92.868","0.006","90","","2030.7","1.3","292","2","292","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(2RS,3SR)-Diethyl 2,3-dibenzoylsuccinate","","- C22 H22 O6 -","- C22 H22 O6 -","- C88 H88 O24 -","4","0.5","JH2014","Hu, Sheng-Li; Liu, Xian-Mei; Guo, Hui-Zhen; Wu, An-Xin","(2<i>R</i>,3<i>S</i>)-Diethyl 2,3-dibenzoylsuccinate","Acta Crystallographica Section E","2006","62","5","o1966","o1967","10.1107/S1600536806013985","","","0.71073","MoKα","","0.1041","0.068","","","0.1937","0.2189","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2208928","7.4815","0.0005","21.5452","0.0014","37.968","0.003","90","","91.261","0.001","90","","6118.6","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(1H-benzimidazol-2-ylmethyl)-1,4,7-triazacyclonone 4.5-hydrate","","- C22 H36 N7 O4.5 -","- C22 H36 N7 O4.5 -","- C176 H288 N56 O36 -","8","2","KP2007","Li, Qing-Xiang; Shen, Yun-Jun; Du, Ying; Wang, Zhi-Hua","1,4-Bis(1<i>H</i>-benzimidazol-2-ylmethyl)-1,4,7-triazacyclononane 4.5-hydrate","Acta Crystallographica Section E","2006","62","5","o1682","o1684","10.1107/S1600536806011305","","","0.71073","MoKα","","0.1097","0.0662","","","0.1331","0.1423","","","","","","0.964","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208929","12.925","0.003","7.4369","0.0017","15.503","0.004","90","","90.978","0.004","90","","1490","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Hydroxy-3-methoxybenzaldehyde (pyridinium-4-ylcarbonyl)hydrazone chloride hemihydrate","","- C14 H15 Cl N3 O3.5 -","- C14 H15 Cl N3 O3.5 -","- C56 H60 Cl4 N12 O14 -","4","1","KP2010","Shao-Wen Chen; Han-Dong Yin; Da-Qi Wang","2-Hydroxy-3-methoxybenzaldehyde (pyridinium-4-ylcarbonyl)hydrazone chloride hemihydrate","Acta Crystallographica Section E","2006","62","5","o2043","o2044","10.1107/S1600536806014644","","","0.71073","MoKα","","0.1208","0.0502","","","0.1085","0.1461","","","","","","0.999","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2208930","9.4897","0.0008","10.4644","0.0008","22.8605","0.0019","96.588","0.006","98.781","0.007","89.957","0.006","2228.4","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","Bis{4-[2-(2-hydroxyphenyl)ethyleneamino]phenyl} ether","","- C28 H24 N2 O3 -","- C28 H24 N2 O3 -","- C112 H96 N8 O12 -","4","2","KP2011","Şerife Pınar; Mehmet Akkurt; Ali Asghar Jarrahpour; Shadab Rezaei; Orhan Büyükgüngör","Bis{4-[2-(2-hydroxyphenyl)ethyleneamino]phenyl} ether","Acta Crystallographica Section E","2006","62","5","o2056","o2058","10.1107/S1600536806014577","","","0.71073","MoKα","","0.1837","0.0684","","","0.1614","0.2144","","","","","","0.89","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208931","5.1626","0.001","13.178","0.003","20.003","0.004","90","","92.11","0.03","90","","1359.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(Tosylamino)benzoic acid","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C56 H52 N4 O16 S4 -","4","1","KP2012","Zhi-Hong Nan; Jun-De Xing","4-(Tosylamino)benzoic acid","Acta Crystallographica Section E","2006","62","5","o1978","o1979","10.1107/S1600536806013055","","","0.71073","MoKα","","0.043","0.0386","","","0.1157","0.1192","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208932","5.0793","0.0003","15.7214","0.0012","13.9016","0.0011","90","","94.186","0.003","90","","1107.13","0.14","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2-Cyanoethylsulfanyl)-4-methylsulfanyl-1,3-dithiole-2-thione","","- C7 H7 N S5 -","- C7 H7 N S5 -","- C28 H28 N4 S20 -","4","1","KP2014","Madsen, Anders; Nielsen, Kent A.; Bond, Andrew D.; Jeppesen, Jan O.","5-(2-Cyanoethylsulfanyl)-4-methylsulfanyl-1,3-dithiole-2-thione","Acta Crystallographica Section E","2006","62","5","o1669","o1670","10.1107/S1600536806011251","","","0.71073","MoKα","","0.0375","0.0256","","","0.0589","0.061","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208933","7.5631","0.0013","11.501","0.002","18.924","0.004","106.692","0.003","93.545","0.004","103.467","0.002","1518.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aquadichloro(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')nickel(II)","","- C28 H28 Cl4 N4 Ni2 O2 -","- C14 H14 Cl2 N2 Ni O -","- C56 H56 Cl8 N8 Ni4 O4 -","4","2","KP2015","Cai-Feng Ding; Yan-Fang Miao; Bing-Qing Tian; Xue-Mei Li; Shu-Sheng Zhang","Aquadichloro(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)","Acta Crystallographica Section E","2006","62","5","m1062","m1063","10.1107/S1600536806013250","","","0.71073","MoKα","","0.0536","0.0453","","","0.1211","0.1278","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208934","9.2638","0.0007","12.5066","0.0009","6.9493","0.0005","90","","98.003","0.001","90","","797.3","0.1","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aquachlorodimethylformamidecopper(II)]-μ-chloro]","","- C3 H9 Cl2 Cu N O2 -","- C3 H9 Cl2 Cu N O2 -","- C12 H36 Cl8 Cu4 N4 O8 -","4","1","LH2028","Zhang, Qi-Wei; Wen, Yi-Hang; Feng, Yun-Long","<i>catena</i>-Poly[[aquachlorodimethylformamidecopper(II)]-μ-chloro]","Acta Crystallographica Section E","2006","62","5","m962","m964","10.1107/S160053680601138X","","","0.71073","MoKα","","","0.0195","","","0.0465","0.0483","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208935","12.6887","0.0014","5.105","0.0006","26.598","0.003","90","","113.496","0.002","90","","1580.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4,4'-Ethylenedipyridinium bis{[(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-4-yl)acetamido]acetate} dihydrate","","- C28 H30 F2 N8 O12 -","- C28 H30 F2 N8 O12 -","- C56 H60 F4 N16 O24 -","2","0.5","LH2029","Xiao-Qing Cai; Mao-Lin Hu; Shilin Chen","(<i>E</i>)-4,4'-Ethylenedipyridinium bis{[(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-4-yl)acetamido]acetate} dihydrate","Acta Crystallographica Section E","2006","62","5","o1696","o1698","10.1107/S1600536806011378","","","0.71073","MoKα","","0.1164","0.0909","","","0.1611","0.1713","","","","","","1.249","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208936","13.777","0.001","13.777","","22.995","0.002","90","","90","","90","","4364.6","0.5","291","2","291","2","","","","","","","","7","I -4","I -4","82","","Tetrakis(benzyldiphenylphosphine-κP)tetra-μ~2~-sulfido- dicopper(I)molybdenum(VI) tetrahydrate","","- C76 H76 Cu2 Mo O4 P4 S4 -","- C76 H76 Cu2 Mo O4 P4 S4 -","- C152 H152 Cu4 Mo2 O8 P8 S8 -","2","0.25","LH2030","Niu, Yun-Yin; Shui, You-Qin; Yang, Rui; Ng, Seik Weng","Tetrakis(benzyldiphenylphosphine-κ<i>P</i>)tetra-μ~2~-sulfido-dicopper(I)molybdenum(VI) tetrahydrate","Acta Crystallographica Section E","2006","62","5","m939","m941","10.1107/S1600536806011111","","","0.71073","MoKα","","0.0614","0.0463","","","0.1355","0.148","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","194389","2020-10-21","18:00:00",""
"2208937","9.955","0.002","9.875","0.003","15.896","0.002","90","","103.62","0.01","90","","1518.7","0.6","303","2","303","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-5-Bromo-2,2,6-trimethyl-trans-6-phenyltetrahydropyran-3-carboxylic acid","","- C15 H19 Br O3 -","- C15 H19 Br O3 -","- C60 H76 Br4 O12 -","4","1","LH2031","Hartung, Jens; Bergsträßer, Uwe; Greb, Marco; Svoboda, Ingrid; Fuess, Hartmut","<i>cis</i>-5-Bromo-2,2,6-trimethyl-<i>trans</i>-6-phenyltetrahydropyran-3-carboxylic acid","Acta Crystallographica Section E","2006","62","5","o1920","o1922","10.1107/S1600536806012621","","","0.71093","MoKα","","0.2521","0.0691","","","0.1659","0.2169","","","","","","0.962","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208938","7.3028","0.0002","9.1492","0.0002","23.6989","0.0006","86.194","0.001","89.841","0.001","72.855","0.001","1509.5","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","hydrochlorothiazide N,N-dimethylformamide solvate","6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide-1,1-dioxide dimethylformamide solvate","","- C10 H15 Cl N4 O5 S2 -","- C10 H15 Cl N4 O5 S2 -","- C40 H60 Cl4 N16 O20 S8 -","4","2","LH2032","Johnston, Andrea; Florence, Alastair J.; Kennedy, Alan R.","Hydrochlorothiazide <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2006","62","5","o1730","o1732","10.1107/S1600536806011391","","","0.8466","synchrotron","","0.0413","0.0398","","","0.1051","0.1067","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208939","8.8748","0.0017","9.3854","0.0018","20.698","0.004","90","","100.074","0.003","90","","1697.4","0.6","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(4-methoxybenzylidene)cyclohexanone","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","LH2033","Ray J. Butcher; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Indira, J.","2,6-Bis(4-methoxybenzylidene)cyclohexanone","Acta Crystallographica Section E","2006","62","5","o1910","o1912","10.1107/S160053680601275X","","","0.71073","MoKα","","0.0552","0.0423","","","0.1088","0.1164","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208940","7.765","0.007","8.699","0.007","15.805","0.013","90","","119.35","0.07","90","","930.6","1.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-acetamidoacetophenone","N-(2-acetylphenyl)acetamide","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","LH2034","Slater, Heather L.; Rozynski, Hanna; Crundwell, Guy; Glagovich, Neil M.","<i>N</i>-(2-Acetylphenyl)acetamide","Acta Crystallographica Section E","2006","62","5","o1957","o1958","10.1107/S1600536806013560","","","0.71073","MoKα","","0.0641","0.0479","","","0.1141","0.1176","","","","","","0.929","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208941","8.3567","0.0011","9.2013","0.0012","11.7229","0.0015","84.321","0.017","86.979","0.017","81.809","0.017","887.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","μ-Oxalato-bis[(N,N'-dimethylformamide)(1,10-phenanthroline)copper(II)] bis(perchlorate)","","- C32 H30 Cl2 Cu2 N6 O14 -","- C32 H30 Cl2 Cu2 N6 O14 -","- C32 H30 Cl2 Cu2 N6 O14 -","1","0.5","LH2035","Wang, Hai-Dong; Zhou, Yi-Li; He, Hong-Yin; Tu, Xiao-Hua; Zhu, Long-Guan","μ-Oxalato-bis[(<i>N</i>,<i>N</i>'-dimethylformamide)(1,10-phenanthroline)copper(II)] bis(perchlorate)","Acta Crystallographica Section E","2006","62","5","m1081","m1082","10.1107/S1600536806013547","","","0.71073","MoKα","","0.056","0.0436","","","0.1092","0.1161","","","","","","1.032","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208942","13.536","0.003","6.515","0.0013","14.754","0.003","90","","106.49","0.03","90","","1247.6","0.5","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","2,2',3,3'-tetramethylbiphenyl","2,3,2',3'-tetramethylbiphenyl","","- C16 H18 -","- C16 H18 -","- C64 H72 -","4","0.5","LH2036","Zheng Wei; Zhu, Hong-Jun; Qian Yi; Wu, Yi-Zu","2,3,2',3'-Tetramethylbiphenyl","Acta Crystallographica Section E","2006","62","5","o2012","o2013","10.1107/S1600536806014267","","","0.71073","MoKα","","0.0527","0.0445","","","0.1274","0.135","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208943","7.4737","0.0004","19.7711","0.0013","6.0262","0.0004","90","","107.08","0.004","90","","851.18","0.09","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Glyoxal 3-nitrophenylhydrazone","","- C8 H7 N3 O3 -","- C8 H7 N3 O3 -","- C32 H28 N12 O12 -","4","1","LH2037","Low, John N.; Wardell, James L.; Glidewell, Christopher","A hydrogen-bonded <i>C</i>(6) chain in glyoxal 3-nitrophenylhydrazone","Acta Crystallographica Section E","2006","62","5","o1816","o1818","10.1107/S160053680601186X","","","0.71073","MoKα","","0.0496","0.041","","","0.094","0.0982","","","","","","1.082","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208944","4.7801","0.0003","10.9874","0.0006","21.778","0.001","90","","93.23","0.001","90","","1141.98","0.11","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Bis(2,6-dichlorobenzylideneamino)biphenyl","","- C26 H16 Cl4 N2 -","- C26 H16 Cl4 N2 -","- C52 H32 Cl8 N4 -","2","0.5","LH2038","Hou, Zhen-Yu; Zhu, Dong-Mei; Ng, Seik Weng","4,4'-Bis(2,6-dichlorobenzylideneamino)biphenyl","Acta Crystallographica Section E","2006","62","5","o1901","o1902","10.1107/S1600536806013092","","","0.71073","MoKα","","0.069","0.052","","","0.151","0.167","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208945","6.5124","0.001","10.7915","0.0016","14.147","0.002","69.514","0.002","76.847","0.003","79.238","0.003","900.6","0.2","298","","298","","","","","","","","","3","P -1","-P 1","2","","1-Ethyl-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2-methylindan-5-ol","","- C20 H24 O4 -","- C20 H24 O4 -","- C40 H48 O8 -","2","1","LH2040","Alvarez-Thon, Luis; Carrasco-Altamirano, Hector; Espinoza-Catalán, Luis; Gallardo-Araya, Claudio; Cardona-Villada, Wilson; Ibañez, Andres","1-Ethyl-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2-methylindan-5-ol","Acta Crystallographica Section E","2006","62","5","o2000","o2002","10.1107/S1600536806013894","","","0.71073","MoKα","","0.1366","0.0571","","","0.0962","0.1178","","","","","","0.88","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208946","5.1239","0.0003","8.7058","0.0007","10.4508","0.0007","114.412","0.003","95.561","0.002","95.07","0.003","418.25","0.05","100","2","","","","","","","","","","5","P -1","-P 1","2","","Bis(piperidinium) chloranilate","","- C16 H24 Cl2 N2 O4 -","- C16 H24 Cl2 N2 O4 -","- C16 H24 Cl2 N2 O4 -","1","0.5","LH2042","Refat, Moamen S.; Ahmed, Hamdy Al-Didamony; El-Zayat, Lamia A.; Fukunaga, Takeo; Ishida, Hiroyuki","Bis(piperidinium) chloranilate","Acta Crystallographica Section E","2006","62","5","o1886","o1887","10.1107/S1600536806013080","","","0.71075","MoKα","","0.0439","0.0331","","","0.076","0.0833","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208947","15.2947","0.0012","11.7932","0.0009","17.9949","0.0014","90","","90","","90","","3245.8","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","O-vanillin copper","Aquabis(2-formyl-6-methoxyphenolato)copper(II)","","- C16 H16 Cu O7 -","- C16 H16 Cu O7 -","- C128 H128 Cu8 O56 -","8","1","LH2043","Lin, Zhi-Dong; Zeng, Wen","Aquabis(2-formyl-6-methoxyphenolato)copper(II)","Acta Crystallographica Section E","2006","62","5","m1074","m1076","10.1107/S1600536806013559","","","0.71073","MoKα","","0.0467","0.0381","","","0.1043","0.1088","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208948","11.8422","0.0006","20.3802","0.0007","8.242","0.0004","90","","95.364","0.004","90","","1980.47","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","diiodobis(triphenylphosphine)palladium(II) dichloromethane disolvate","","- C38 H34 Cl4 I2 P2 Pd -","- C38 H34 Cl4 I2 P2 Pd -","- C76 H68 Cl8 I4 P4 Pd2 -","2","0.5","LH2044","Theissmann, Thomas; Bolte, Michael","The twinned crystal structure of diiodobis(triphenylphosphine)palladium(II) dichloromethane disolvate at 173K","Acta Crystallographica Section E","2006","62","5","m1056","m1058","10.1107/S1600536806013262","","","0.71073","MoKα","","0.049","0.0472","","","0.1478","0.1483","","","","","","1.37","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208949","19.896","0.003","9.12","0.003","13.077","0.003","90","","117.713","0.016","90","","2100.6","1","154","2","154","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Isoguanine dihydrochloride dihydrate","6-amino-2-oxo-1,2-dihydro-9H-purine-3,7-diium dichloride dihydrate","","- C5 H11 Cl2 N5 O3 -","- C5 H11 Cl2 N5 O3 -","- C40 H88 Cl16 N40 O24 -","8","1","LH2045","Bats, Jan W.; Nasiri, Hamid Reza; Schwalbe, Harald","Isoguanine dihydrochloride dihydrate","Acta Crystallographica Section E","2006","62","5","o2040","o2042","10.1107/S1600536806014061","","","0.71073","MoKα","","0.0606","0.0424","","","0.1083","0.1131","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208950","9.3182","0.0003","9.4466","0.0002","9.9733","0.0003","90","","114.799","0.0017","90","","796.95","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Nitrophenylacetic acid","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","1","LH2048","Wardell, James L.; Low, John N.; Glidewell, Christopher","2-Nitrophenylacetic acid: hydrogen-bonded sheets of <i>R</i>~2~^2^(8) and <i>R</i>~4~^4^(18) rings","Acta Crystallographica Section E","2006","62","5","o1915","o1917","10.1107/S1600536806013274","","","0.71073","MoKα","","0.04","0.0365","","","0.1045","0.1075","","","","","","1.163","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208951","4.6055","0.0006","9.4285","0.0009","21.459","0.003","90","","92.136","0.005","90","","931.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Difluoromethyl-1-(4-methylphenyl)-1H-1,2,3-triazole","","- C10 H9 F2 N3 -","- C10 H9 F2 N3 -","- C40 H36 F8 N12 -","4","1","LH2049","Marilia S. Costa; Núbia Boechat; Vitor F. Ferreira; Solange M. S. V. Wardell; Janet M. S. Skakle","4-Difluoromethyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2006","62","5","o1925","o1927","10.1107/S1600536806013286","","","0.71073","MoKα","","0.1184","0.0616","","","0.1359","0.1598","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208952","7.119","0.0002","5.1609","0.0002","28.4022","0.001","90","","96.679","0.002","90","","1036.43","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Octamethylenebis(4-methylbenzamide)","","- C24 H32 N2 O2 -","- C24 H32 N2 O2 -","- C48 H64 N4 O4 -","2","0.5","LH2051","Awaleh, Mohamed Osman; Badia, Antonnella; Brisse, François","<i>N</i>,<i>N</i>'-Octamethylenebis(4-methylbenzamide)","Acta Crystallographica Section E","2006","62","5","o1996","o1997","10.1107/S1600536806014231","","","1.54178","CuKα","","0.0801","0.054","","","0.1411","0.1655","","","","","","1.035","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208953","11.736","0.003","12.201","0.003","19.503","0.004","72.674","0.014","73.357","0.012","73.937","0.013","2497.7","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Tetraethylbis(cyclopentenylacetato)distannoxane dimer","tetra-μ~2~-(cyclopent-2-enyl)acetato- 1:2κ^2^O:O';1:3κ^2^O:O';2:4κ^2^O:O';3:4κ^2^O:O'-octaethyl- 1κ^2^C,2κ^2^C,3κ^2^C,4κ^2^C-di-μ~3~-oxo-1:2:3κ^3^O;2:3:4κ^3^O-tetratin","","- C44 H76 O10 Sn4 -","- C44 H76 O10 Sn4 -","- C88 H152 O20 Sn8 -","2","1","LH2052","Ahmad, Aftab; Khan, Azim; Ali, Saqib; Parvez, Masood","Bis(cyclopentenylacetato)tetraethyldistannoxane dimer","Acta Crystallographica Section E","2006","62","5","m1088","m1090","10.1107/S1600536806014115","","","0.71073","MoKα","","0.059","0.035","","","0.065","0.073","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208954","12.218","0.002","9.648","0.001","14.974","0.002","90","","103.016","0.001","90","","1719.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[1-(3-dimethylaminopropyliminomethyl)naphtholato]nickel(II) bis(perchlorate)","","- C32 H40 Cl2 N4 Ni O10 -","- C32 H40 Cl2 N4 Ni O10 -","- C64 H80 Cl4 N8 Ni2 O20 -","2","0.5","LH2054","Zhong-Lu You","Bis{1-[3-(dimethylamino)propyliminomethyl]naphtholato}nickel(II) bis(perchlorate)","Acta Crystallographica Section E","2006","62","5","m1097","m1099","10.1107/S1600536806014309","","","0.71073","MoKα","","0.0731","0.0561","","","0.1598","0.1735","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208955","21.192","0.004","9.115","0.002","22.426","0.005","90","","116.939","0.004","90","","3861.9","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{1-[3-(cyclohexylamino)propyliminomethyl]naphth-2-olato}cobalt(II) tetrahydrate","","- C40 H58 Co N4 O6 -","- C40 H56 Co N4 O5 -","- C160 H224 Co4 N16 O20 -","4","0.5","LH2055","Zhong-Lu You","Bis{1-[3-(cyclohexylamino)propyliminomethyl]naphth-2-olato}cobalt(II) tetrahydrate","Acta Crystallographica Section E","2006","62","5","m1162","m1163","10.1107/S1600536806014978","","","0.71073","MoKα","","0.1038","0.069","","","0.167","0.1882","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208956","7.572","0.002","11.154","0.003","13.387","0.004","84.584","0.009","76.014","0.009","89.404","0.015","1092.1","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","bis(cyclopentenylacetato)tetramethyldistannoxane dimer","tetra-μ~2~-(cyclopent-2-enyl)acetato- 1:2κ^2^O:O';1:3κ^2^O:O';2:4κ^2^O:O';3:4κ^2^O:O'-octamethyl- 1κ^2^C,2κ^2^C,3κ^2^C,4κ^2^C-di-μ~3~-oxo-1:2:3κ^3^O;2:3:4κ^3^O-tetratin","","- C36 H60 O10 Sn4 -","- C36 H60 O10 Sn4 -","- C36 H60 O10 Sn4 -","1","0.5","LH2056","Ahmad, Aftab; Khan, Azim; Ali, Saqib; Parvez, Masood","Bis(cyclopentenylacetato)tetramethyldistannoxane dimer","Acta Crystallographica Section E","2006","62","5","m1167","m1169","10.1107/S1600536806014966","","","0.71073","MoKα","","0.062","0.036","","","0.074","0.084","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208957","14.0617","0.0013","6.0363","0.0005","28.051","0.004","90","","102.4","0.02","90","","2325.4","0.5","193","2","193","2","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl 12-benzoyldehydroabietate","","- C28 H34 O3 -","- C28 H34 O3 -","- C112 H136 O12 -","4","1","NC2005","Fang-Yao Li; Ying-Ming Pan; Heng-Shan Wang; Zhen-Feng Chen; Yong Zhang","Methyl 12-benzoyldehydroabietate","Acta Crystallographica Section E","2006","62","5","o1895","o1897","10.1107/S1600536806013067","","","0.7107","MoKα","","0.0474","0.0407","","","0.0843","0.0881","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208958","16.338","0.006","14.704","0.002","12.04","0.004","90","","132.34","0.01","90","","2138","1.1","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","Di-μ~2~-methanolato-bis[tetrakis(pyrimidin-2-amine-κN^1^)cobalt(II)] bis(tetrafluoroborate)","","- C18 H26 B2 Co2 F8 N12 O2 -","- C18 H26 B2 Co2 F8 N12 O2 -","- C36 H52 B4 Co4 F16 N24 O4 -","2","0.25","NC2010","Li, Yang; Xi-Quan Zhang; Xi-Chang Zhang; Xiang-Jian Wang; Fang, Rui-Qin","Di-μ~2~-methanolato-bis[tetrakis(pyrimidin-2-amine-κ<i>N</i>^1^)cobalt(II)] bis(tetrafluoroborate)","Acta Crystallographica Section E","2006","62","5","m1159","m1161","10.1107/S1600536806014036","","","0.71073","MoKα","","0.0832","0.064","","","0.1865","0.2073","","","","","","1.106","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208959","8.051","0.001","8.084","0.001","13.205","0.002","83.741","0.002","80.164","0.003","66.162","0.002","773.8","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2-[3-(4-Methoxybenzoyl)thioureido]-3-methylbutyric acid","","- C14 H18 N2 O4 S -","- C14 H18 N2 O4 S -","- C28 H36 N4 O8 S2 -","2","1","NC2011","Ngah, Nurziana; Darman, Najiha; Yamin, Bohari M.; Ng, Seik Weng","2-[3-(4-Methoxybenzoyl)thioureido]-3-methylbutyric acid","Acta Crystallographica Section E","2006","62","5","o1903","o1904","10.1107/S1600536806013146","","","0.71073","MoKα","","0.115","0.062","","","0.139","0.162","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208961","6.87","0.001","8.476","0.001","10.987","0.001","77.574","0.002","74.588","0.002","67.865","0.001","566.55","0.12","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Ethylenediammonium tetraaquabis(pyridine-3,5-dicarboxylato-κN)copper(II) dihydrate","","- C16 H28 Cu N4 O14 -","- C16 H28 Cu N4 O14 -","- C16 H28 Cu N4 O14 -","1","0.5","NG2028","Dorazco-Gonzalez, Alejandro; Toscano, Ruben A.; Gómez-Vidales, Virginia; Valdés-Martínez, Jesús","Ethylenediammonium tetraaquabis(pyridine-3,5-dicarboxylato-κ<i>N</i>)cuprate(II) dihydrate","Acta Crystallographica Section E","2006","62","5","m1027","m1029","10.1107/S1600536806012517","","","0.71073","MoKα","","0.0325","0.0291","","","0.068","0.0695","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208962","11.381","0.002","13.842","0.003","13.268","0.003","90","","91.43","0.03","90","","2089.5","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[N,N'-Bis(3-methoxysalicylidene)-1,2-ethanediyldiamino]nickel(II) chloroform solvate","","- C19 H19 Cl3 N2 Ni O4 -","- C19 H19 Cl3 N2 Ni O4 -","- C76 H76 Cl12 N8 Ni4 O16 -","4","1","OB2004","Yu, Yu-Ye","{6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II) chloroform solvate","Acta Crystallographica Section E","2006","62","5","m948","m949","10.1107/S160053680601049X","","","0.71073","MoKα","","","0.0409","","","0.112","0.1164","","","","","","1.099","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208963","7.709","0.001","15.959","0.002","16.007","0.002","90","","90.49","0.01","90","","1969.2","0.4","170","2","170","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","propafenone hydrochloride","N-{(2RS)-2-Hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl}propanaminium chloride","","- C21 H28 Cl N O3 -","- C21 H28 Cl N O3 -","- C84 H112 Cl4 N4 O12 -","4","1","OB2009","Bambagiotti-Alberti, Massimo; Bruni, Bruno; Costantino, Ferdinando; Di Vaira, Massimo; Giannellini, Valerio","<i>N</i>-{(2<i>RS</i>)-2-Hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl}propanaminium chloride","Acta Crystallographica Section E","2006","62","5","o1694","o1695","10.1107/S1600536806011408","","","1.5418","CuKα","","0.0869","0.0483","","","0.1132","0.123","","","","","","0.924","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208964","13.9877","0.0009","16.2122","0.001","20.5103","0.0013","90","","95.904","0.001","90","","4626.5","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-Bis(O-ethylxanthato)bis(triphenylphosphine)ruthenium(III) hexafluorophosphate monohydrate","","- C42 H42 F6 O3 P3 Ru S4 -","- C42 H42 F6 O3 P3 Ru S4 -","- C168 H168 F24 O12 P12 Ru4 S16 -","4","1","OB2010","Ohuchi, Yuko; Noda, Kyoko; Suzuki, Takayoshi; Kashiwabara, Kazuo; Takagi, Hideo D.","<i>trans</i>-Bis(<i>O</i>-ethylxanthato)bis(triphenylphosphine)ruthenium(III) hexafluorophosphate monohydrate","Acta Crystallographica Section E","2006","62","5","m1077","m1078","10.1107/S1600536806013420","","","0.7107","MoKα","","0.08","0.0583","","","0.1429","0.1555","","","","","","1.115","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208965","18.544","0.002","12.5781","0.0014","10.7292","0.0012","90","","105.562","0.002","90","","2410.8","0.5","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[3,3',3''-(1,4,7-Triazacyclononane-1,4,7-triyl)tripropanamide]nickel(II) bis(perchlorate)","","- C15 H30 Cl2 N6 Ni O11 -","- C15 H30 Cl2 N6 Ni O11 -","- C60 H120 Cl8 N24 Ni4 O44 -","4","1","OB2011","Liu, Rui; Li, Yi-Zhi; Zhang, Zhong; Wang, Zhi-Lin","[3,3',3''-(1,4,7-Triazacyclononane-1,4,7-triyl)tripropanamide]nickel(II) bis(perchlorate)","Acta Crystallographica Section E","2006","62","5","m1064","m1065","10.1107/S1600536806013316","","","0.71073","MoKα","","0.0715","0.0553","","","0.1284","0.1339","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208966","7.296","0.004","9.597","0.005","15.304","0.008","94.038","0.007","93.465","0.008","103.331","0.007","1036.9","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","12-(4-Bromophenyl)-9,9-dimethyl-1,2,3,4,9,10-hexahydrobenzo[a]acridin-11-one","","- C25 H22 Br N O -","- C25 H22 Br N O -","- C50 H44 Br2 N2 O2 -","2","1","OB2012","Run-Hong Jia; Qian-Shang Zhang; Shu-Jiang Tu; Yan Zhang","12-(4-Bromophenyl)-9,9-dimethyl-1,2,3,4,9,10-hexahydrobenz[<i>a</i>]acridin-11-one","Acta Crystallographica Section E","2006","62","5","o2032","o2033","10.1107/S160053680601453X","","","0.71073","MoKα","","0.0831","0.0442","","","0.0999","0.1188","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208967","10.0244","0.0006","19.7901","0.0011","11.7645","0.0005","90","","116.217","0.004","90","","2093.8","0.2","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Gerontoxanthone monohydrate","4-(1,1-Dimethylprop-2-enyl)-1,3,5,6-tetrahydroxy-2-(3-methylbut-2-enyl)-9H- xanthen-9-one monohydrate","","- C23 H26 O7 -","- C23 H26 O7 -","- C92 H104 O28 -","4","1","OB2013","Nawong Boonnak; Suchada Chantrapromma; Hoong-Kun Fun","4-(1,1-Dimethylprop-2-enyl)-1,3,5,6-tetrahydroxy-2-(3-methylbut-2-enyl)-9<i>H</i>-xanthen-9-one monohydrate","Acta Crystallographica Section E","2006","62","5","o2034","o2036","10.1107/S1600536806013948","","","0.71073","MoKα","","0.0674","0.055","","","0.1418","0.1522","","","","","","1.105","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208968","10.5552","0.001","11.214","0.0009","14.1681","0.0013","88.682","0.003","72.512","0.003","76.904","0.004","1556.1","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","3-ethyl-3-pentanol","","- C7 H16 O -","- C7 H16 O -","- C56 H128 O8 -","8","4","OB2014","Bond, Andrew D.","3-Ethylpentan-3-ol","Acta Crystallographica Section E","2006","62","5","o2064","o2065","10.1107/S1600536806013936","","","0.71073","MoKα","","0.0657","0.0439","","","0.1068","0.1174","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208969","8.518","0.004","9.361","0.004","11.056","0.005","82.932","0.007","78.76","0.007","83.165","0.006","854","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","μ-Oxalato-bis[(2,2'-bipyridine)(N,N-dimethylformamide)copper(II)] bis(perchlorate)","","- C28 H30 Cl2 Cu2 N6 O14 -","- C28 H30 Cl2 Cu2 N6 O14 -","- C28 H30 Cl2 Cu2 N6 O14 -","1","0.5","OB3004","Gui-Ling Zhang; Yan-Tuan Li; Zhi-Yong Wu","μ-Oxalato-bis[(2,2'-bipyridine)(<i>N</i>,<i>N</i>-dimethylformamide)copper(II)] bis(perchlorate)","Acta Crystallographica Section E","2006","62","5","m1175","m1177","10.1107/S1600536806015030","","","0.71073","MoKα","","0.0524","0.0371","","","0.0833","0.0932","","","","","","1.051","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208970","17.57","0.004","7.287","0.0015","8.5746","0.0017","90","","118.62","0.03","90","","963.7","0.4","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2,4,5-Tetrafluoro-3,6-bis(nitromethyl)benzene","","- C8 H4 F4 N2 O4 -","- C8 H4 F4 N2 O4 -","- C32 H16 F16 N8 O16 -","4","0.5","OM2009","Perašínová, Lucia; Svoboda, Ingrid; Végh, Daniel; Tomaš Solčan; Kožíšek, Jozef","1,2,4,5-Tetrafluoro-3,6-bis(nitromethyl)benzene","Acta Crystallographica Section E","2006","62","5","o1689","o1690","10.1107/S1600536806011561","","","0.71073","MoKα","","0.044","0.0376","","","0.0991","0.1064","","","","","","1.053","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208971","11.243","0.002","7.0251","0.0008","12.93","0.002","90","","120.687","0.011","90","","878.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Tetraaquabis[3-(4-pyridyl)acrylato-κN]zinc(II)","","- C16 H20 N2 O8 Zn -","- C16 H20 N2 O8 Zn -","- C32 H40 N4 O16 Zn2 -","2","0.5","OM2010","E. Yang; Qi-Yan Chen; Gu-Yong Chen","<i>trans</i>-Tetraaquabis[3-(4-pyridyl)acrylato-κ<i>N</i>]zinc(II)","Acta Crystallographica Section E","2006","62","5","m1043","m1044","10.1107/S1600536806012906","","","0.71073","MoKα","","","0.0432","","","0.0904","0.096","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208972","5.4713","0.0007","14.1328","0.0017","9.7392","0.0013","90","","105.713","0.0005","90","","724.94","0.16","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E,E)-N,N'-Bis(1-phenylethylidene)ethylenediamine","","- C18 H20 N2 -","- C18 H20 N2 -","- C36 H40 N4 -","2","0.5","OM2012","Benson, Ronald E.; Roy, Tapashi G.; Dey, Benu K.; Barua, Kanak K.; Tiekink, Edward R. T.","(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(1-phenylethylidene)ethylenediamine","Acta Crystallographica Section E","2006","62","5","o1971","o1972","10.1107/S1600536806013614","","","0.71069","MoKα","","0.045","0.043","","","0.116","0.117","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208973","16.242","0.004","9.468","0.002","14.111","0.003","90","","106.959","0.003","90","","2075.6","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Phenyltris(pyrimidine-2-thiolato)tin(IV)","","- C18 H14 N6 S3 Sn -","- C18 H14 N6 S3 Sn -","- C72 H56 N24 S12 Sn4 -","4","1","RN2006","Li, Yong-Xin; Zhang, Ru-Fen; Ma, Chun-Lin","Phenyltris(pyrimidine-2-thiolato)tin(IV)","Acta Crystallographica Section E","2006","62","5","m957","m958","10.1107/S1600536806011470","","","0.71073","MoKα","","0.031","0.023","","","0.052","0.058","","","","","","1","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208974","10.809","0.002","11.284","0.002","14.314","0.003","90","","99.18","0.03","90","","1723.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetraethyl 2,4,8,10-tetramethyl-6,12-diphenyl- 3,9-dioxapentacyclo[6.4.0.0^2,7^.0^4,11^.0^5,10^]dodecane-1,5,7,11- tetracarboxylate","","- C38 H44 O10 -","- C38 H44 O10 -","- C76 H88 O20 -","2","0.5","RZ2009","Hong Yan; Hui-Qin Wang; Cheng-Liang Ni; Xiu-Qing Song","A photodimer of a 4-phenyl-4<i>H</i>-pyran","Acta Crystallographica Section E","2006","62","5","o1951","o1953","10.1107/S1600536806012980","","","0.71073","MoKα","","0.0786","0.0467","","","0.1201","0.1292","","","","","","0.965","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208975","7.8516","0.0013","16.14","0.003","19.951","0.003","90","","90","","90","","2528.3","0.7","298","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,3-Di-p-toluoyl-(2R,3R)-tartaric acid ethyl acetate solvate","","- C24 H26 O10 -","- C24 H26 O10 -","- C96 H104 O40 -","4","1","RZ2012","Li-Da Tang; Gui-Yun Duan; Da-Tong Zhang; Jian-Wu Wang","2,3-Di-<i>p</i>-toluoyl-(2<i>R</i>,3<i>R</i>)-tartaric acid ethyl acetate solvate","Acta Crystallographica Section E","2006","62","5","o1685","o1686","10.1107/S1600536806011469","","","0.71073","MoKα","","0.0575","0.046","","","0.1121","0.1197","","","","","","1.056","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208976","8.101","0.003","9.64","0.003","12.419","0.005","90.588","0.007","101.626","0.006","104.636","0.006","917.2","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","N-{[3'-Formyl-2,2'-bis(methoxymethoxy)biphenyl-3-yl]methyl}formamide","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C38 H42 N2 O12 -","2","1","RZ2014","Gao, Yu-Xing; Fang, Hua; Zeng, Qing-Le; Chen, Wei-Zhu; Zhao, Yu-Fen","<i>N</i>-{[3'-Formyl-2,2'-bis(methoxymethoxy)biphenyl-3-yl]methyl}formamide","Acta Crystallographica Section E","2006","62","5","o1687","o1688","10.1107/S1600536806011330","","","0.71073","MoKα","","0.0803","0.0664","","","0.1947","0.2066","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208977","9.4353","0.0002","6.7725","0.0002","18.3013","0.0006","90","","93.606","0.0013","90","","1167.15","0.06","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Hydroxy-5,6-dihydro-4H-1,3-thiazine","(S)-4-Ethyl-4-hydroxy-2-phenyl-5,6-dihydro-4H-1,3-thiazine","","- C12 H15 N O S -","- C12 H15 N O S -","- C48 H60 N4 O4 S4 -","4","1","RZ2015","Koketsu, Mamoru; Ebihara, Masahiro; Ishihara, Hideharu","4-Ethyl-4-hydroxy-2-phenyl-5,6-dihydro-4<i>H</i>-1,3-thiazine","Acta Crystallographica Section E","2006","62","5","o1666","o1668","10.1107/S1600536806011275","","","0.71073","MoKα","","0.057","0.0366","","","0.0829","0.0934","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208978","4.7495","0.0003","14.4685","0.0011","20.2429","0.0016","90","","93.584","0.006","90","","1388.33","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-Ethyl 4-chloro-3-oxo-2-(2-o-tolylhydrazono)butanoate","","- C13 H15 Cl N2 O3 -","- C13 H15 Cl N2 O3 -","- C52 H60 Cl4 N8 O12 -","4","1","RZ2016","Alpaslan, Gökhan; Özdamar, Özgür; Odabaşoğlu, Mustafa; Ersanlı, Cem Cüneyt; Erdönmez, Ahmet","(<i>Z</i>)-Ethyl 4-chloro-3-oxo-2-(2-<i>o</i>-tolylhydrazono)butanoate","Acta Crystallographica Section E","2006","62","5","o1828","o1830","10.1107/S1600536806012670","","","0.71073","MoKα","","0.077","0.055","","","0.145","0.158","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208979","15.9337","0.0011","10.8421","0.0008","28.542","0.002","90","","90","","90","","4930.8","0.6","292","2","292","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","9-[4-(6-Bromo-4-phenylnaphthalen-2-yl)phenyl]-9H-carbazole","","- C34 H22 Br N -","- C34 H22 Br N -","- C272 H176 Br8 N8 -","8","1","RZ2017","Shou-Cai Zhang; Guang-Bo Che; Bo Liu","9-[4-(6-Bromo-4-phenylnaphthalen-2-yl)phenyl]-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","5","o1814","o1815","10.1107/S1600536806012256","","","0.71073","MoKα","","0.1174","0.0429","","","0.0797","0.0964","","","","","","0.783","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208980","14.2781","0.001","16.1865","0.0012","20.1828","0.0015","90","","90","","90","","4664.5","0.6","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl (E,E)-(2-[({[1,3-dimethyl-5-(2-fluorophenoxy)-1H-pyrazol-4- ylmethylene]amino}oxy)methyl]phenyl)-2-(methoxyimino)acetate","","- C23 H23 F N4 O5 -","- C23 H23 F N4 O5 -","- C184 H184 F8 N32 O40 -","8","1","RZ2018","Yan Li; Xiang-Ping Yang; Hong-Quan Zhang; Xiang-Gao Meng; Zhao-Jie Liu","Methyl (<i>E</i>,<i>E</i>)-{2-[({[1,3-dimethyl-5-(2-fluorophenoxy)-1<i>H</i>-pyrazol-4-ylmethylene]amino}oxy)methyl]phenyl}-2-(methoxyimino)acetate","Acta Crystallographica Section E","2006","62","5","o2027","o2029","10.1107/S1600536806014292","","","0.71073","MoKα","","0.1102","0.0586","","","0.1425","0.1723","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208981","10.431","0.002","11.354","0.002","15.337","0.003","68.961","0.006","84.619","0.01","80.182","0.009","1669.5","0.5","291","1","291","1","","","","","","","","5","P -1","-P 1","2","","Methyl 3-[4,6-bis(diphenylphosphino)phenoxazin-10-yl]propionate","","- C40 H33 N O3 P2 -","- C40 H33 N O3 P2 -","- C80 H66 N2 O6 P4 -","2","1","RZ2019","Ricken, Stefan; Osinski, Piotr W.; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","Methyl 3-[4,6-bis(diphenylphosphino)phenoxazin-10-yl]propionate","Acta Crystallographica Section E","2006","62","5","o1807","o1808","10.1107/S1600536806012438","","","0.71073","MoKα","","0.1565","0.0378","","","0.0697","0.0882","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208982","5.9049","0.0004","17.4841","0.0016","11.7553","0.0008","90","","99.113","0.006","90","","1198.32","0.16","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","3-(p-hydrohxyanilino)phthalide","3-(4-Hydroxyanilino)isobenzofuran-1(3H)-one","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","RZ2022","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(4-Hydroxyanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1879","o1881","10.1107/S1600536806013031","","","0.71073","MoKα","","0.0263","0.0253","","","0.0659","0.0666","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208983","7.138","0.001","19.227","0.003","11.229","0.002","90","","90.995","0.002","90","","1540.9","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2,4-Dibromo-6-[2- (dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II)","","- C12 H13 Br2 N3 Ni O S -","- C12 H13 Br2 N3 Ni O S -","- C48 H52 Br8 N12 Ni4 O4 S4 -","4","1","RZ2025","Xin-Zhi Sun; Jin-Sheng Shi","{2,4-Dibromo-6-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II)","Acta Crystallographica Section E","2006","62","5","m1130","m1131","10.1107/S1600536806014632","","","0.71073","MoKα","","0.1131","0.0519","","","0.1032","0.122","","","","","","1.011","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208984","7.427","0.0005","7.484","0.0009","10.94","0.0013","88.155","0.003","86.638","0.007","82.765","0.008","602.02","0.11","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","(2-Hydroxy-5-methylphenyl)(4-methylphenyl)methanone","","- C15 H14 O2 -","- C15 H14 O2 -","- C30 H28 O4 -","2","1","RZ6178","Naveen, S.; Khanum, S. A.; Mahendra, M.; Shashikanth, S.; Sridhar, M. A.; Shashidhara Prasad, J.","(2-Hydroxy-5-methylphenyl)(4-methylphenyl)methanone","Acta Crystallographica Section E","2006","62","5","o1664","o1665","10.1107/S160053680600780X","","","0.71073","MoKα","","0.0552","0.0506","","","0.1389","0.1447","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208985","3.5857","0.0011","9.014","0.003","19.936","0.006","90","","90.284","0.005","90","","644.4","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[diamminesilver(I)] dioxalatoplatinate(II)","","- C4 H12 Ag2 N4 O8 Pt -","- C4 H12 Ag2 N4 O8 Pt -","- C8 H24 Ag4 N8 O16 Pt2 -","2","0.5","SA2001","Wu, Guo-Qiang; Chen, Wan-Zhi","Bis[diamminesilver(I)] dioxalatoplatinate(II)","Acta Crystallographica Section E","2006","62","5","m1144","m1146","10.1107/S160053680601470X","","","0.71073","MoKα","","0.025","0.0238","","","0.0616","0.0624","","","","","","1.088","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208986","7.6963","0.0006","11.1028","0.0008","12.9739","0.0008","90","","123.707","0.003","90","","922.25","0.12","273","2","273","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[[diaqua-μ-1,2-benzene-1,2-dicarboxylato-μ-4,4'-bipyridinecopper(II)] dihydrate]","","- C18 H20 Cu N2 O8 -","- C18 H20 Cu N2 O8 -","- C36 H40 Cu2 N4 O16 -","2","0.5","SA2002","Xu, Han; Sun, Ran; Li, Yi-Zhi; Bai, Jun-Feng","Poly[[diaqua-μ-1,2-benzene-1,2-dicarboxylato-μ-4,4'-bipyridine-copper(II)] dihydrate]: a two-dimensional copper(II) polymer","Acta Crystallographica Section E","2006","62","5","m1156","m1158","10.1107/S1600536806014711","","","0.71073","MoKα","","0.0674","0.0541","","","0.1221","0.1256","","","","","","1.095","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208987","20.366","0.003","7.0174","0.0009","8.0292","0.0011","90","","90","","90","","1147.5","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","Benzyl-N,N'-diethylamonium chloride","Benzyldiethylammonium chloride","","- C11 H18 Cl N -","- C11 H18 Cl N -","- C44 H72 Cl4 N4 -","4","1","SG2016","Daniel Lorono-Gonzalez","Benzyldiethylammonium chloride","Acta Crystallographica Section E","2006","62","5","o1735","o1737","10.1107/S1600536806011299","","","0.71073","MoKα","","0.0459","0.0346","","","0.0678","0.0699","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208988","5.132","0.002","7.203","0.002","22.767","0.008","90","","95.59","0.03","90","","837.6","0.5","286","2","286","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","SG2018","Xiao-Ling Wang","8-Oxocanadine","Acta Crystallographica Section E","2006","62","5","o1764","o1765","10.1107/S1600536806010324","","","0.71073","MoKα","","0.0627","0.0397","","","0.072","0.0764","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208989","7.8014","0.0004","15.2381","0.0011","19.1271","0.001","90","","90","","90","","2273.8","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,4,6-Tetra-O-acetyl-N-(2-hydroxybenzylidene)-β-D-galactopyranosylamine","","- C21 H25 N O10 -","- C21 H25 N O10 -","- C84 H100 N4 O40 -","4","1","SG2019","Mehmet Akkurt; Sema Öztürk Yıldırım; Ali Asghar Jarrahpour; Parvaneh Alvand; Orhan Büyükgüngör","2,3,4,6-Tetra-<i>O</i>-acetyl-<i>N</i>-(2-hydroxybenzylidene)-β-<small>D</small>-galactopyranosylamine","Acta Crystallographica Section E","2006","62","5","o2069","o2071","10.1107/S1600536806011329","","","0.71073","MoKα","","0.064","0.0412","","","0.0919","0.1023","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208990","6.86","0.0014","9.071","0.0018","14.634","0.003","82.66","0.03","80.06","0.03","84.11","0.03","886.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(ethoxycarbonyl)[3-(ethoxycarbonyl)-1,3-thiazolo[3,2-a]pyridin-4-ium-2- yl](2-thioxo-1,2-dihydropyridin-1-yl)methanide","","- C19 H18 N2 O4 S2 -","- C19 H18 N2 O4 S2 -","- C38 H36 N4 O8 S4 -","2","1","SJ2004","Victor B. Rybakov; Alexander A. Bush; Sergei I. Troyanov; Eugene V. Babaev; Erhard Kemnitz","Unexpected formation of a thiazolo[3,2-<i>a</i>]pyridinium methide: a novel subclass of mesoionic compounds","Acta Crystallographica Section E","2006","62","5","o1673","o1675","10.1107/S1600536806011135","","","0.71073","MoKα","","0.0388","0.0324","","","0.0751","0.0773","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208991","7.3582","0.0003","9.0387","0.0005","10.4342","0.0006","92.005","0.002","104.529","0.003","96.222","0.003","666.42","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Cl4 N2 O2 Sn -","- C6 H12 Cl4 N2 O2 Sn -","- C12 H24 Cl8 N4 O4 Sn2 -","2","1","SJ2023","Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.","(2-Amidoethyl-κ^2^<i>C</i>,<i>O</i>)trichloro(3-chloropropionamide-κ<i>O</i>)stannane","Acta Crystallographica Section E","2006","62","5","m971","m973","10.1107/S1600536806010543","","","0.71073","MoKα","","0.047","0.038","","","0.093","0.105","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208992","7.568","0.001","13.306","0.001","30.28","0.002","90","","90","","90","","3049.2","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Cu N5 O -","- C15 H17 Cu N5 O -","- C120 H136 Cu8 N40 O8 -","8","1","SJ2024","Zhu, Qi-Yong; Wei, Yi-Jun; Wang, Feng-Wu","Azido{1-[2-(dimethylamino)ethyliminomethyl]naphthalenolato}copper(II)","Acta Crystallographica Section E","2006","62","5","m983","m985","10.1107/S1600536806010555","","","0.71073","MoKα","","0.0569","0.0485","","","0.132","0.139","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208993","10.5814","0.0008","8.1613","0.0004","15.2896","0.0011","90","","111.656","0.005","90","","1227.18","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(p-methoxyanilino)phthalide","3-(4-Methoxyanilino)isobenzofuran-1(3H)-one","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","SJ2025","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(4-Methoxyanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1882","o1883","10.1107/S1600536806012785","","","0.71073","MoKα","","0.0452","0.0362","","","0.0912","0.0955","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208994","19.6434","0.0009","11.2843","0.0005","9.0441","0.0003","90","","112.635","0.004","90","","1850.32","0.14","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dibenzo[a-4,5;a'-10,11]-3,12-diazatetracyclo[12.3.1.1^3,6^.1^9,12^] eicosa-6(19),7,9(20),14(18),15,17-hexene","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","0.5","SJ2029","G. Senthil Kumar; K. Chinnakali; M. Gayatri Swaroop; P. Rajakumar; Hoong-Kun Fun","1,9-Diazahexacyclo[17.6.1.1^3,7^.1^9,16^.0^10,15^.0^20,25^]hexacosa-3,5,7(26),10(15),11,13,16(27),17,19(28),20(25),21,23-dodecaene","Acta Crystallographica Section E","2006","62","5","o1809","o1811","10.1107/S1600536806010919","","","0.71073","MoKα","","0.1324","0.0514","","","0.1204","0.1543","","","","","","0.969","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208995","18.8275","0.001","8.9784","0.0005","20.9951","0.0011","90","","90","","90","","3549","0.3","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Benzylidene-2-diethylamino-1-phenyl-1H-imidazol-5(4H)-one","","- C20 H21 N3 O -","- C20 H21 N3 O -","- C160 H168 N24 O8 -","8","1","SJ2030","Gui-Hua Li; Yang-Gen Hu","4-Benzylidene-2-diethylamino-1-phenyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1691","o1693","10.1107/S1600536806011548","","","0.71073","MoKα","","0.0829","0.0558","","","0.1551","0.1686","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208996","12.8259","0.0002","3.8806","0.0001","27.7348","0.0004","90","","98.779","0.001","90","","1364.25","0.05","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H12 Cl2 O2 -","- C16 H12 Cl2 O2 -","- C64 H48 Cl8 O8 -","4","1","SJ2031","P. S. Patil; Mohd Mustaqim Rosli; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash; Venkataraya Shettigar","1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","5","o1707","o1709","10.1107/S1600536806011147","","","0.71073","MoKα","","0.0439","0.0367","","","0.0995","0.1131","","","","","","1.115","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208997","13.066","0.002","9.926","0.0015","18.351","0.003","90","","106.539","0.003","90","","2281.5","0.6","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6,9-Dibromo-2a,10b-diphenyl-2a,5,10,10b-tetrahydro-2H,3H-2,3,4a, 10a-tetraaza-benzo[g]cyclopenta[cd]azulene-1,4-dione hydrate","","- C24 H20 Br2 N4 O3 -","- C24 H20 Br2 N4 O3 -","- C96 H80 Br8 N16 O12 -","4","1","SJ2032","Neng-Fang She; Sheng-Li Hu; Hui-Zhen Guo; An-Xin Wu","6,9-Dibromo-2a,10b-diphenyl-2a,5,10,10b-tetrahydro-2<i>H</i>,3<i>H</i>-2,3,4a,10a-tetraazabenzo[<i>g</i>]cyclopenta[<i>cd</i>]azulene-1,4-dione monohydrate","Acta Crystallographica Section E","2006","62","5","o1754","o1755","10.1107/S1600536806011871","","","0.71073","MoKα","","0.0946","0.0526","","","0.124","0.1363","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208998","14.68","0.003","7.279","0.0015","13.198","0.003","90","","116.02","0.03","90","","1267.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Cd~2~(mal)~2~(H2O)~4~(u-mal)]","poly[tetraaquadi-μ~3~-malonatodicadmium(II)]","","- C3 H6 Cd O6 -","- C3 H6 Cd O6 -","- C24 H48 Cd8 O48 -","8","1","SJ2033","Xu-Cheng Fu; Ming-Tian Li; Chenggang Wang; Xiao-Yan Wang; Xiao-Tao Deng","A new polymorph of poly[tetraaquadi-μ~3~-malonato-dicadmium(II)]","Acta Crystallographica Section E","2006","62","5","m959","m961","10.1107/S160053680601155X","","","0.71073","MoKα","","0.0308","0.0304","","","0.0853","0.0857","","","","","","1.238","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208999","14.0097","0.0009","5.8841","0.0003","24.3124","0.0019","90","","94.273","0.003","90","","1998.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diphenylcarbonohydrazide phenylsemicarbazide","","- C20 H23 N7 O2 -","- C20 H23 N7 O2 -","- C80 H92 N28 O8 -","4","1","SJ2034","Wei, Chun-Xia; Chen, Jian-Xin; Li, Zhong-Shui; Lan, Ting-Yan; Huang, Yuan-Biao","Diphenylcarbonohydrazide‒phenylsemicarbazide (1/1)","Acta Crystallographica Section E","2006","62","5","o1719","o1721","10.1107/S160053680601172X","","","0.71073","MoKα","","0.1423","0.0536","","","0.0921","0.105","","","","","","0.968","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209000","9.197","0.002","10.601","0.003","15.714","0.004","98.265","0.005","92.767","0.004","95.821","0.005","1505.3","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","N-(4-Bromobenzyl)-4-cyanopyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III) acetone solvate","","- C22 H16 Br N2 Ni O S10 -","- C22 H16 Br N2 Ni O S10 -","- C44 H32 Br2 N4 Ni2 O2 S20 -","2","1","SJ2035","Shuang-Quan Zang; Yang Su; Ruo-Jie Tao","<i>N</i>-(4-Bromobenzyl)-4-cyanopyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III) acetone solvate","Acta Crystallographica Section E","2006","62","5","m1004","m1005","10.1107/S1600536806012207","","","0.71073","MoKα","","0.1034","0.0551","","","0.0988","0.1051","","","","","","0.987","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209001","11.6424","0.001","18.1817","0.0015","11.9659","0.001","90","","113.573","0.001","90","","2321.6","0.3","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-{1,3-bis[(6-chloro-3-pyridyl)methyl]imidazolidin-2-ylidene}-2- cyanoacetate ethanol solvate","","- C22 H25 Cl2 N5 O3 -","- C22 H25 Cl2 N5 O3 -","- C88 H100 Cl8 N20 O12 -","4","1","SJ2037","Man-Man Tian; Zai-Gang Luo; De-Qing Shi","Ethyl 2-{1,3-bis[(6-chloro-3-pyridyl)methyl]imidazolidin-2-ylidene}-2-cyanoacetate ethanol solvate","Acta Crystallographica Section E","2006","62","5","o1866","o1867","10.1107/S1600536806012840","","","0.71073","MoKα","","0.0708","0.0546","","","0.1576","0.1665","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209002","9.1755","0.0001","15.4193","0.0002","15.5475","0.0002","77.2624","0.0005","82.027","0.0005","78.256","0.0007","2090.45","0.04","150","","150","","","","","","","","","4","P 1","P 1","1","cyclo{[(6-amino-6-deoxy-2,3:4,5-di-O-isopropylidene-D-galactonic acid)-(D-Phe)]~2~-}","9,25-Dibenzyl-4,4,15,15,20,20,31,31-octamethyl-3,5,14,16,19,21,30,32- octaoxa-8,11,24,27- tetraazapentacyclo[27.3.0.0^2,6^.0^13,17^.0^18,22^]dotriacontane- 7,10,23,26-tetrone","","- C42 H56 N4 O12 -","- C42 H56 N4 O12 -","- C84 H112 N8 O24 -","2","2","SJ2038","Bream, Richard; Watkin, David; Soengas, Raquel; Fleet, George W.J.; Edwards, Alison A.; Hunter, Stuart J.; George E. Tranter","<i>cyclo</i>{[(6-Amino-6-deoxy-2,3:4,5-di-<i>O</i>-isopropylidene-<small>D</small>-galactonic acid)-(<small>D</small>-Phe)]~2~}","Acta Crystallographica Section E","2006","62","5","o1851","o1853","10.1107/S1600536806012487","","","0.71073","MoKα","","0.0479","0.0479","","0.0892","0.0892","0.0892","","","","","","0.9968","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209003","7.83","0.004","8.695","0.003","14.046","0.006","78.37","0.03","73.94","0.04","76.38","0.03","883.5","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2,2'-Dimethyl-3,3'-bis(methylsulfanyl)-5,5'-bis(1-benzofuran)","","- C20 H18 O2 S2 -","- C20 H18 O2 S2 -","- C40 H36 O4 S4 -","2","1","SJ2039","Choi, Hong Dae; Kang, Byoung Won; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2,2'-Dimethyl-3,3'-bis(methylsulfanyl)-5,5'-bis(1-benzofuran)","Acta Crystallographica Section E","2006","62","5","o2092","o2094","10.1107/S160053680601498X","","","0.71069","MoKα","","0.2267","0.1033","","","0.1581","0.214","","","","","","1.17","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209004","12.5548","0.001","10.8325","0.0008","9.5073","0.0007","90","","104.577","0.001","90","","1251.37","0.16","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Bis(carboxymethylsulfanyl)-1,3-dithiole-2-thione monohydrate","","- C7 H8 O5 S5 -","- C7 H8 O5 S5 -","- C28 H32 O20 S20 -","4","1","SJ2040","Pu-Zhou Hu; Jian-Ge Wang; Lu Wang; Jun-Qing Chen; Bang-Tun Zhao","4,5-Bis(carboxymethylsulfanyl)-1,3-dithiole-2-thione monohydrate","Acta Crystallographica Section E","2006","62","5","o2059","o2061","10.1107/S1600536806014371","","","0.71073","MoKα","","0.0277","0.0239","","","0.0654","0.0684","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209005","5.8236","0.0005","7.982","0.0007","24.5229","0.0017","90","","90","","90","","1139.92","0.16","296","","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-(3-pyridylamino)phthalide","3-(3-Pyridylamino)isobenzofuran-1(3H)-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","SJ2041","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(3-Pyridylamino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o2088","o2089","10.1107/S1600536806013390","","","0.71073","MoKα","","0.0427","0.0342","","","0.0861","0.0905","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209006","6.1212","0.0004","7.7822","0.0005","19.9815","0.0011","83.225","0.004","83.736","0.003","69.062","0.003","880.48","0.1","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","3-(4-Hexyloxyphenyl)isobenzofuran-1(3H)-one","","- C20 H22 O3 -","- C20 H22 O3 -","- C40 H44 O6 -","2","1","SJ2042","M. Vijayan; K. Chinnakali; P. Amaladass; A. K. Mohanakrishnan; Hoong-Kun Fun","3-(4-Hexyloxyphenyl)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1941","o1943","10.1107/S1600536806013298","","","0.71073","MoKα","","0.1343","0.0577","","","0.1437","0.1867","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209007","13.568","0.002","10.676","0.003","8.168","0.004","90","","99.027","0.003","90","","1168.5","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[2-(4-chlorophenyliminomethyl)phenolato]nickel(II)","","- C26 H18 Cl2 N2 Ni O2 -","- C26 H18 Cl2 N2 Ni O2 -","- C52 H36 Cl4 N4 Ni2 O4 -","2","0.5","SJ2044","San-Jun Peng; Cong-Shan Zhou; Tao Yang","Bis[2-(4-chlorophenyliminomethyl)phenolato]nickel(II)","Acta Crystallographica Section E","2006","62","5","m1066","m1068","10.1107/S1600536806013389","","","0.71073","MoKα","","0.0969","0.0508","","","0.1021","0.1197","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209008","8.6174","0.0001","15.5622","0.0003","9.8634","0.0001","90","","96.945","0.001","90","","1313.03","0.03","100","0.1","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pinnatin","4-Methoxy-7-phenyl-6,7-dihydrofuro[3,2-g]chromen-5-one","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","1","SJ2045","Suchada Chantrapromma; Hoong-Kun Fun; Sorwaporn Koysomboon; Kan Chantrapromma","4-Methoxy-7-phenyl-6,7-dihydrofuro[3,2-<i>g</i>]chromen-5-one","Acta Crystallographica Section E","2006","62","5","o1984","o1986","10.1107/S1600536806013900","","","0.71073","MoKα","","0.0745","0.0536","","","0.1112","0.1217","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209009","17.054","0.003","13.182","0.003","23.592","0.005","90","","103.05","0.03","90","","5166.6","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-[Bis(diphenylphosphino)ethane-κ~2~P,P']dichlororuthenium(II) dichlomethane disolvate","","- C54 H52 Cl6 P4 Ru -","- C54 H52 Cl6 P4 Ru -","- C216 H208 Cl24 P16 Ru4 -","4","1","SJ2046","Luca Russo; João Figueira; João Rodrigues; Kari Rissanen","<i>cis</i>-[Bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']dichlororuthenium(II) dichloromethane disolvate","Acta Crystallographica Section E","2006","62","5","m1154","m1155","10.1107/S1600536806015005","","","0.71073","MoKα","","0.1205","0.071","","","0.1485","0.1817","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209010","8.305","0.001","11.083","0.002","11.126","0.002","69.584","0.001","71.08","0.001","84.204","0.001","907.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis{2-[2-(diethylamino)ethyliminomethyl]-4-nitrophenolato}dimethanolzinc(II) dinitrate","","- C28 H46 N8 O14 Zn -","- C28 H46 N8 O14 Zn -","- C28 H46 N8 O14 Zn -","1","0.5","SJ2047","Xiao-Yang Qiu","Bis{2-[2-(diethylamino)ethyliminomethyl]-4-nitrophenolato}dimethanolzinc(II) dinitrate","Acta Crystallographica Section E","2006","62","5","m1091","m1093","10.1107/S1600536806014322","","","0.71073","MoKα","","0.0632","0.0572","","","0.164","0.1712","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209011","14.732","0.003","17.414","0.004","15.424","0.003","90","","110.629","0.003","90","","3703.2","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,10-Phenanthrolinium tetraiodo(1,10-phenanthroline-κ^2^N,N')bismuthate(III) 1,10-phenanthroline","","- C36 H25 Bi I4 N6 -","- C36 H25 Bi I4 N6 -","- C144 H100 Bi4 I16 N24 -","4","1","SJ2049","Feng Li; Han-Dong Yin; Jun Zhai; Da-Qi Wang","1,10-Phenanthrolinium tetraiodo(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuthate(III) 1,10-phenanthroline","Acta Crystallographica Section E","2006","62","5","m1170","m1172","10.1107/S1600536806014991","","","0.71073","MoKα","","0.0967","0.0421","","","0.081","0.1044","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209012","6.3867","0.0007","11.0716","0.0013","14.1462","0.0016","106.009","0.011","90.107","0.012","103.453","0.012","932.8","0.2","180","","180","","","","","","","","","4","P -1","-P 1","2","","4,5;4',5'-bis(dioxane-1,4-diyl-2,3-dithio)tetrathiafulvalene","","- C14 H12 O4 S8 -","- C14 H12 O4 S8 -","- C28 H24 O8 S16 -","2","1","TK2005","Isabelle Malfant; Laure Vendier; Oleg A. D'Yachenko; Alexander I. Kotov","The π-donor 4,5;4',5'-bis(dioxane-1,4-diyl-2,3-dithio)tetrathiafulvalene","Acta Crystallographica Section E","2006","62","5","o1948","o1950","10.1107/S1600536806007161","","","0.71073","MoKα","","0.037","0.026","","","0.058","0.06","","","","","","0.97","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209013","12.7319","0.0003","16.0019","0.0004","19.3005","0.0005","96.512","0.001","108.754","0.001","103.554","0.001","3542.8","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Bis(tetrabutylammonium) isophthalate 1-phenyl-3-[2,4,5-tris(3-phenylureido)phenyl]urea","","- C74 H106 N10 O8 -","- C74 H106 N10 O8 -","- C148 H212 N20 O16 -","2","1","TK2016","Light, Mark E; Gale, Philip A; Brooks, Simon J","Bis(tetrabutylammonium) isophthalate 1-phenyl-3-[2,4,5-tris(3-phenylureido)phenyl]urea: a synchrotron study","Acta Crystallographica Section E","2006","62","5","o1905","o1907","10.1107/S1600536806009135","","","0.6727","synchrotron","","0.067","0.053","","","0.139","0.149","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209014","11.654","0.005","5.471","0.002","26.609","0.01","90","","102.416","0.006","90","","1656.9","1.1","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2'-[2-(4-Fluorophenyl)chroman-4-ylidene]isonicotinohydrazide","","- C21 H16 F N3 O2 -","- C21 H16 F N3 O2 -","- C84 H64 F4 N12 O8 -","4","1","TK2018","Nie, Aihua; Ghosh, Sutapa; Huang, Ziwei","2'-[2-(4-Fluorophenyl)chroman-4-ylidene]isonicotinohydrazide","Acta Crystallographica Section E","2006","62","5","o1824","o1825","10.1107/S1600536806012153","","","0.71073","MoKα","","0.07","0.051","","","0.119","0.128","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209015","10.165","0.002","10.143","0.002","16.012","0.003","90","","93.05","0.03","90","","1648.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Terephthalato-κ^2^O^1^:O^4^-bis[bis(propane-1,3-diamine- κ^2^N,N')ferrate(II)] bis(perchlorate)","","- C20 H44 Cl2 Fe2 N8 O12 -","- C20 H44 Cl2 Fe2 N8 O12 -","- C40 H88 Cl4 Fe4 N16 O24 -","2","0.5","TK2020","Hu, Ren-Zhi; Wang, Jian-Hua; Cheng, Kui; Li, Zhi-Bin; Yan, Zheng","μ-Terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^-bis[bis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')iron(II)] bis(perchlorate)","Acta Crystallographica Section E","2006","62","5","m1054","m1055","10.1107/S1600536806012165","","","0.71073","MoKα","","0.102","0.061","","","0.159","0.184","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209016","10.209","0.002","15.651","0.003","7.892","0.0017","90","","104.822","0.004","90","","1219","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-allyl-2-methoxy-5-nitrophenylacetate","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","TK2021","Carrasco-Altamirano, Hector; Espinoza-Catalán, Luis; Gallardo-Araya, Claudio; Cardona-Villada, Wilson; Ibañez, Andres; Alvarez-Thon, Luis","4-Allyl-2-methoxy-5-nitrophenyl acetate","Acta Crystallographica Section E","2006","62","5","o1782","o1784","10.1107/S1600536806012177","","","0.71073","MoKα","","0.094","0.045","","","0.101","0.113","","","","","","0.81","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209017","9.0424","0.001","10.4114","0.0011","20.191","0.002","90","","90","","90","","1900.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4R)-(-)-3-Hydroxymethyl-4-phenyl-2-o-toluoyl-1,2,3,4-tetrahydroisoquinoline","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","1","TK2023","Gzella, Andrzej; Chrzanowska, Maria; Dreas, Agnieszka; Kaczmarek, Michał S.; Woźniak, Zenon","(3<i>R</i>,4<i>R</i>)-(‒)-3-Hydroxymethyl-4-phenyl-2-<i>o</i>-toluoyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section E","2006","62","5","o1774","o1776","10.1107/S1600536806012189","","","1.54178","CuKα","","0.031","0.029","","","0.086","0.087","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209018","7.469","0.002","18.64","0.005","9.156","0.003","90","","103.408","0.005","90","","1240","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-(4-Chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide","","- C10 H7 Cl N4 O2 S2 -","- C10 H7 Cl N4 O2 S2 -","- C40 H28 Cl4 N16 O8 S8 -","4","1","TK2024","Anilkumar, G. N.; Kokila, M. K.; Puttaraja; Karki, S. S.; Kulkarni, M. V.","6-(4-Chlorophenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole-2-sulfonamide","Acta Crystallographica Section E","2006","62","5","o2014","o2016","10.1107/S1600536806013687","","","0.71073","MoKα","","0.042","0.037","","","0.099","0.102","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209019","6.246","0.0012","9.0416","0.0018","25.132","0.005","90","","90","","90","","1419.3","0.5","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-Dehydrodeoxyartemisinin","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","TK2026","Li, Shu-Hui; Yue, Zheng-Yu; Gao, Po; Yan, Peng-Fei","9,10-Dehydrodeoxyartemisinin","Acta Crystallographica Section E","2006","62","5","o1898","o1900","10.1107/S1600536806013109","","","0.71073","MoKα","","0.04","0.035","","","0.098","0.101","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209020","4.419","0.001","8.639","0.002","22.26","0.005","90","","90","","90","","849.8","0.3","123","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-Amino-1,2,3,4-tetrahydroquinazoline-2,4-dithione","","- C8 H7 N3 S2 -","- C8 H7 N3 S2 -","- C32 H28 N12 S8 -","4","1","TK2029","Yang, Kai-Bin; Lin, Li-Rong; Huang, Rong-Bin; Zheng, Lan-Sun","7-Amino-1,2,3,4-tetrahydroquinazoline-2,4-dithione","Acta Crystallographica Section E","2006","62","5","o1938","o1940","10.1107/S1600536806013535","","","0.71073","MoKα","","0.04","0.039","","","0.095","0.096","","","","","","1.17","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209021","11.3708","0.0011","27.215","0.003","11.3","0.0011","90","","90","","90","","3496.9","0.6","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","[4-(Dimethylamino)pyridine-κN]bis(pentane-2,4-dionato-κ^2^O,O')copper(II)","","- C17 H24 Cu N2 O4 -","- C17 H24 Cu N2 O4 -","- C136 H192 Cu8 N16 O32 -","8","0.5","TK2030","Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","[4-(Dimethylamino)pyridine-κ<i>N</i>]bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2006","62","5","m1142","m1143","10.1107/S1600536806014528","","","0.71073","MoKα","","0.027","0.026","","","0.063","0.064","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209022","7.205","0.005","13.857","0.003","13.978","0.004","90","","90.74","0.04","90","","1395.4","1.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-methyl-1H-imidazole)silver(I) nitrate methanol solvate","","- C9 H16 Ag N5 O4 -","- C9 H16 Ag N5 O4 -","- C36 H64 Ag4 N20 O16 -","4","1","TK2031","Jin Liu; Xiao-Yu Su; Wen-Hai Wang; Zhi-Hua Mao; Ru-Gang Xie","Bis(2-methyl-1<i>H</i>-imidazole)silver(I) nitrate methanol solvate","Acta Crystallographica Section E","2006","62","5","m1173","m1174","10.1107/S1600536806014905","","","0.71073","MoKα","","0.12","0.042","","","0.087","0.111","","","","","","0.968","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209023","6.35","0.004","8.161","0.004","10.655","0.006","87.47","0.04","88.08","0.04","67.63","0.04","510","0.5","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","3,8-Di-tert-butyl-2,2,9,9-tetramethyldeca-3,7-diene","","- C22 H42 -","- C22 H42 -","- C22 H42 -","1","0.5","TK2036","Hänel, Ralf; Hopf, Henning; Jones, Peter G.","3,8-Di-<i>tert</i>-butyl-2,2,9,9-tetramethyldeca-3,7-diene","Acta Crystallographica Section E","2006","62","5","o2095","o2096","10.1107/S1600536806014917","","","0.71073","MoKα","","0.0952","0.0563","","","0.122","0.1476","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209024","13.1492","0.0017","7.7672","0.001","14.9337","0.0019","90","","94.934","0.002","90","","1519.6","0.3","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-Diisopropyl-2,3,6,7-tetrahydro-2,3a,4a,6,7a,8a-hexaaza-1H,5H- cyclopenta[def]fluorene-4,8-dione","","- C14 H24 N6 O2 -","- C14 H24 N6 O2 -","- C56 H96 N24 O8 -","4","1","WK2005","Qin, Shu-Qi; Li, Yi-Tao","2,6-Diisopropyl-2,3,6,7-tetrahydro-2,3a,4a,6,7a,8a-hexaaza-1<i>H</i>,5<i>H</i>-cyclopenta[<i>def</i>]fluorene-4,8-dione","Acta Crystallographica Section E","2006","62","5","o1812","o1813","10.1107/S1600536806011858","","","0.71073","MoKα","","0.0713","0.0517","","","0.128","0.1358","","","","","","0.992","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209025","21.2976","0.0004","10.9267","0.0003","7.4201","0.0002","90","","98.108","0.002","90","","1709.49","0.07","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,5-Dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b,4',3'-e]pyridine","","- C21 H17 N5 -","- C21 H17 N5 -","- C84 H68 N20 -","4","0.5","WK2006","Portilla, Jaime; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","π-Stacked chains in 3,5-dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-<i>b</i>,4',3'-<i>e</i>]pyridine","Acta Crystallographica Section E","2006","62","5","o1676","o1678","10.1107/S1600536806011068","","","0.71073","MoKα","","0.0489","0.0419","","","0.1111","0.1161","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209026","29.875","0.006","6.027","0.0012","7.256","0.0015","90","","90","","90","","1306.5","0.5","296","1","296","1","","","","","","","","3","C m c 21","C 2c -2","36","","2,7-diacetylxanthene","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","0.5","WK2007","Li, Wu; Ai-Lin, Liu; Yang, Lu; Guan-Hua, Du","2,7-Diacetylxanthene","Acta Crystallographica Section E","2006","62","5","o1770","o1771","10.1107/S1600536806012050","","","0.71073","MoKα","","0.0499","0.0479","","","0.1258","0.1281","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209027","10.349","0.003","7.881","0.002","20.362","0.006","90","","102.075","0.005","90","","1624","0.8","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diphenyl (hydroxyphenylmethyl)phosphonate","","- C19 H17 O4 P -","- C19 H17 O4 P -","- C76 H68 O16 P4 -","4","1","WK2008","Fang, Mei-Juan; Fang, Hua; Zeng, Zhi-Ping; Luo, Shu-Na; Zhao, Yu-Fen","Diphenyl (hydroxyphenylmethyl)phosphonate","Acta Crystallographica Section E","2006","62","5","o1998","o1999","10.1107/S160053680601419X","","","0.71073","MoKα","","0.0579","0.0505","","","0.1373","0.1424","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209028","9.467","0.004","11.766","0.004","13.268","0.007","90","","100.96","0.02","90","","1450.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-(2-Hydroxybenzoyl)-2-oxo-2H-chromene-3-carbohydrazide","","- C17 H12 N2 O5 -","- C17 H12 N2 O5 -","- C68 H48 N8 O20 -","4","1","WK2009","Zhan, Yan; Lin, Shukun","<i>N</i>'-(2-Hydroxybenzoyl)-2-oxo-2<i>H</i>-chromene-3-carbohydrazide","Acta Crystallographica Section E","2006","62","5","o2097","o2098","10.1107/S1600536806014656","","","0.71073","MoKα","","0.0534","0.04","","","0.1138","0.1196","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209029","8.3281","0.0003","8.3281","0.0003","8.3281","0.0003","90","","90","","90","","577.61","0.04","296","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","cobalt digallium tetraoxide","","- Co Ga2 O4 -","- Co1.001 Ga1.999 O4 -","- Co8.008 Ga15.992 O32 -","8","0.0416667","WM2007","Nakatsuka, Akihiko; Ikeda, Yuya; Nakayama, Noriaki; Mizota, Tadato","Inversion parameter of the CoGa~2~O~4~ spinel determined from single-crystal X-ray data","Acta Crystallographica Section E","2006","62","5","i109","i111","10.1107/S1600536806011044","","","0.71069","MoKα","","","0.0174","","","","0.0229","","","","","","1.722","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209030","11.7237","0.0016","11.7237","0.0016","6.6855","0.0009","90","","90","","120","","795.78","0.19","291","2","291","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Nonaaquayttrium(III) tris[bromate(V)]","","- Br3 H18 O18 Y -","- Br3 H18 O18 Y -","- Br6 H36 O36 Y2 -","2","0.0833333","WM2008","Alireza Abbasi; Eriksson, Lars","Nonaaquayttrium(III) tris(bromate)","Acta Crystallographica Section E","2006","62","5","m126","m128","10.1107/S1600536806014176","","","0.71073","MoKα","","0.0335","0.0285","","","0.0726","0.0886","","","","","","1.234","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209031","11.1364","0.0006","11.2806","0.0006","17.147","0.0012","90","","106.235","0.005","90","","2068.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Octaammonium diaquahexa-μ~2~-oxalato-dioxalatotetracopper(II) tetrahydrate","","- C8 H22 Cu2 N4 O19 -","- C8 H22 Cu2 N4 O19 -","- C32 H88 Cu8 N16 O76 -","4","1","WM2009","Kadir, Karim; Mohammad Ahmed, Trifa; Noreús, Dag; Eriksson, Lars","Octaammonium diaquahexa-μ~2~-oxalato-dioxalatotetracopper(II) tetrahydrate","Acta Crystallographica Section E","2006","62","5","m1139","m1141","10.1107/S1600536806014164","","","0.71073","MoKα","","0.1092","0.0325","","","0.0514","0.0613","","","","","","0.835","","","","has coordinates","197922","2020-10-21","18:00:00",""
"2209032","7.412","0.001","8.368","0.002","8.627","0.002","95.12","0.03","114.56","0.03","101.33","0.03","468.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","scandium hydrate hydroxide bromide","Pentaaquahydroxoscandium(III) dibromide","","- Br4 H22 O12 Sc2 -","- Br4 H22 O12 Sc2 -","- Br4 H22 O12 Sc2 -","1","0.5","WM2011","Kolitsch, Uwe","Pentaaquahydroxoscandium(III) dibromide, [Sc(H~2~O)~5~(OH)]Br~2~","Acta Crystallographica Section E","2006","62","5","i122","i123","10.1107/S1600536806013328","","","0.71073","MoKα","","0.0456","0.0301","","","0.0682","0.0734","","","","","","1.035","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2209033","5.3875","0.0002","5.3875","0.0002","11.9811","0.0004","90","","90","","90","","347.75","0.02","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","Europium molybdate","","- Eu0.96 Mo O4 -","- Eu0.96 Mo O4 -","- Eu3.84 Mo4 O16 -","4","0.25","WM2012","Gall, P.; Gougeon, P.","The scheelite-type europium molybdate Eu~0.96~MoO~4~","Acta Crystallographica Section E","2006","62","5","i120","i121","10.1107/S1600536806012803","","","0.71069","MoKα","","0.0335","0.0158","","","0.0265","0.0306","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209034","6.3101","0.0008","8.2299","0.001","10.5401","0.0013","90","","90","","90","","547.36","0.12","153","2","153","2","","","","","","","","4","P m m a","-P 2a 2a","51","cesium zirconium uranium pentatelluride","cesium zirconium uranium pentatelluride","","- Cs Te5 U Zr -","- Cs Te5 U Zr -","- Cs2 Te10 U2 Zr2 -","2","0.25","WM2013","Jong-Young Kim; Danielle L. Gray; James A. Ibers","Caesium zirconium uranium pentatelluride, CsZrUTe~5~","Acta Crystallographica Section E","2006","62","5","i124","i125","10.1107/S1600536806013584","","","0.71073","MoKα","","0.0258","0.0247","","","0.0667","0.0672","","","","","","1.266","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209035","13.6074","0.0015","8.499","0.0011","17.9494","0.0019","90","","91.745","0.009","90","","2074.9","0.4","295","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{4-[2-(2,5-Dimethyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopent-1-enyl]- 5-methyl-2-thienylmethylene}propanedinitrile","","- C20 H12 F6 N2 S2 -","- C20 H12 F6 N2 S2 -","- C80 H48 F24 N8 S8 -","4","1","WM2014","Pu, Shou-Zhi; Yang, Tian-She; Wang, Ru-Ji; Liu, Gang; Xu, Jing-Kun","2-{4-[2-(2,5-Dimethyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopent-1-enyl]-5-methyl-2-thienylmethylene}propanedinitrile: a new photochromic diarylethene compound","Acta Crystallographica Section E","2006","62","5","o2007","o2009","10.1107/S1600536806013766","","","0.71073","MoKα","","0.1133","0.0788","","","0.1398","0.1546","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209036","5.4505","0.0018","25.769","0.008","9.21","0.002","90","","99.98","0.02","90","","1274","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-histidinium trichloroacetate","L-histidinium trichloroacetate","","- C8 H10 Cl3 N3 O4 -","- C8 H10 Cl2.9945 N3 O4 -","- C32 H40 Cl11.978 N12 O16 -","4","2","WN2004","S. Gokul Raj; G. Ramesh Kumar; R. Mohan; R. Jayavel; Babu Varghese","<small>L</small>-Histidinium trichloroacetate","Acta Crystallographica Section E","2006","62","5","o1704","o1706","10.1107/S1600536806011342","","","0.71073","MoKα","","0.0426","0.039","","","0.1048","0.1089","","","","","","1.064","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209037","9.492","0.002","14.909","0.004","16.354","0.004","90","","90","","90","","2314.4","1","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1β,7β-dihydroxy-6β,15β-diacetoxy-16α,17:7α,20-diepoxy-ent-kaurane","","- C24 H36 O9 -","- C24 H36 O9 -","- C96 H144 O36 -","4","1","WN2013","He, Zhi-An; Zhang, Ji-Xia; Bai, Su-Ping","An <i>ent</i>-kaurane diterpenoid from <i>Isodon japonica</i>","Acta Crystallographica Section E","2006","62","5","o2021","o2023","10.1107/S1600536806014474","","","0.71073","MoKα","","0.0555","0.039","","","0.0827","0.0872","","","","","","0.955","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209038","12.918","0.006","12.09","0.006","15.488","0.008","90","","110.993","0.008","90","","2258.3","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 3,3'-(cis-[4a]-cisoid-[4a,4b]-cis-[4b]-9,11-dimethyl-2,4,6,8- tetraoxoperhydrocyclobuta[1,2-d:3,4-d]dipyrimidine-1,5-diyl)dipropionate","","- C20 H28 N4 O8 -","- C20 H28 N4 O8 -","- C80 H112 N16 O32 -","4","1","WN2014","Wen-Jian Tang; Qin-Hua Song","Diethyl 3,3'-(<i>cis</i>-[4a]-<i>cisoid</i>-[4a,4b]-<i>cis</i>-[4b]-9,11-dimethyl-2,4,6,8-tetraoxoperhydrocyclobuta[1,2-<i>d</i>:3,4-<i>d</i>]dipyrimidine-1,5-diyl)dipropionate","Acta Crystallographica Section E","2006","62","5","o1759","o1761","10.1107/S1600536806011494","","","0.71073","MoKα","","0.0864","0.0458","","","0.1","0.1176","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209039","5.6553","0.0011","15.754","0.003","21.191","0.004","90","","90","","90","","1888","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,5-Bis(4-chlorophenyl)-3-(4-pyridyl)pentane-1,5-dione","","- C22 H17 Cl2 N O2 -","- C22 H17 Cl2 N O2 -","- C88 H68 Cl8 N4 O8 -","4","1","WN2015","Qiu, Xiao-Yang; Liu, Wei-Sheng; Zhu, Hai-Liang","1,5-Bis(4-chlorophenyl)-3-(4-pyridyl)pentane-1,5-dione","Acta Crystallographica Section E","2006","62","5","o1826","o1827","10.1107/S1600536806012694","","","0.71073","MoKα","","0.1252","0.0372","","","0.0855","0.102","","","","","","0.757","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209040","7.3124","0.0001","7.9312","0.0001","21.0085","0.0003","90","","93.271","0.001","90","","1216.43","0.03","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[2-(1,3-Benzothiazol-2-ylimino)imidazolidin-1-yl]ethanone","","- C12 H12 N4 O S -","- C12 H12 N4 O S -","- C48 H48 N16 O4 S4 -","4","1","WN2018","Sema Öztürk Yıldırım; Mehmet Akkurt; Süleyman Servi; Memet Şekerci; H.-K. Fun","1-[2-(1,3-Benzothiazol-2-ylimino)imidazolidin-1-yl]ethanone","Acta Crystallographica Section E","2006","62","5","o1870","o1871","10.1107/S1600536806013201","","","0.71073","MoKα","","0.0468","0.0378","","","0.1032","0.1106","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209041","7.97","0.0016","6.155","0.0012","34.738","0.007","90","","90.2","0.03","90","","1704.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-[5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylthiazolidin-4-one","","- C17 H11 Cl2 N3 O S2 -","- C17 H11 Cl2 N3 O S2 -","- C68 H44 Cl8 N12 O4 S8 -","4","1","WN2020","Wu, Feng; Wan, Rong; Fan, Hong-Jing; Wang, Jin-Tang","3-[5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylthiazolidin-4-one","Acta Crystallographica Section E","2006","62","5","o1930","o1931","10.1107/S1600536806013456","","","0.71073","MoKα","","0.1236","0.0885","","","0.2015","0.2161","","","","","","1.19","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209042","6.0285","0.0012","16.4319","0.0011","14.7046","0.0014","90","","99.258","0.003","90","","1437.7","0.3","100","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(Tolyl-4-sulfonyl)-3-oxa-5-azatricyclo[5.2.1.0^4,8^]decane","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","WN2021","Arıcı, Cengiz; Ülkü, Dinçer; Kanıskan, H. Ümit; Doğan, Özdemir","5-(<i>p</i>-Tolylsulfonyl)-3-oxa-5-azatricyclo[5.2.1.0^4,8^]decane","Acta Crystallographica Section E","2006","62","5","o1923","o1924","10.1107/S1600536806013432","","","0.71073","MoKα","","0.1077","0.0455","","","0.1111","0.1323","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209043","13.4574","0.0006","11.4815","0.0005","7.3719","0.0002","90","","105.247","0.003","90","","1098.95","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Difluoromethyl-1-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole","","- C11 H11 F2 N3 O2 -","- C11 H11 F2 N3 O2 -","- C44 H44 F8 N12 O8 -","4","1","WN2023","Marilia S. Costa; Nubia Boechat; Vitor F. Ferreira; Solange M. S. V. Wardell; Janet M. S. Skakle","4-Difluoromethyl-1-(2,5-dimethoxyphenyl)-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2006","62","5","o2048","o2050","10.1107/S1600536806013924","","","0.71073","MoKα","","0.0581","0.042","","","0.1013","0.1103","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209044","9.0194","0.0003","21.443","0.0006","10.0189","0.0003","90","","93.088","0.001","90","","1934.87","0.1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(L-aspartato-κ^2^N,O)(2,2'-bipyridine-κ^2^N,N)copper(II) pentahydrate","","- C14 H25 Cu N3 O10 -","- C14 H25 Cu N3 O10 -","- C56 H100 Cu4 N12 O40 -","4","1","WW2006","Zhao, Hong-Jian; Li, Ming-Xing; Shao, Min; Liu, Hong-Jiang","Aqua(<small>L</small>-aspartato-κ^2^<i>N</i>,<i>O</i>)(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>)copper(II) pentahydrate","Acta Crystallographica Section E","2006","62","5","m965","m967","10.1107/S1600536806011585","","","0.71073","MoKα","","0.0262","0.0232","","","0.0613","0.0629","","","","","","1.055","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209045","8.312","0.004","20.573","0.011","11.374","0.006","90","","106.867","0.009","90","","1861.3","1.7","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,6-Dibromo-9-(4-tolylsulfonyl)-9H-carbazole","","- C19 H13 Br2 N O2 S -","- C19 H13 Br2 N O2 S -","- C76 H52 Br8 N4 O8 S4 -","4","1","WW2012","Li, Ning; Huang, Peng-Mian; Xiong, Xiao-Li; Xu, Xiao-Dong; Shao, Zhong-Jie","3,6-Dibromo-9-(4-tolylsulfonyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","5","o1805","o1806","10.1107/S1600536806011780","","","0.71073","MoKα","","0.0803","0.0433","","","0.097","0.1125","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209046","18.697","0.004","11.899","0.003","8.722","0.002","90","","90","","90","","1940.4","0.8","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","WW6470","Cui, Chun Mei; Zhou, Hong Ping; Zhu, Chen Hao; Wu, Jie Ying","Tris(4-acetylphenyl)amine","Acta Crystallographica Section E","2006","62","5","o1762","o1763","10.1107/S1600536806010270","","","0.71073","MoKα","","0.1021","0.0445","","","0.0989","0.1255","","","","","","1.036","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209047","14.703","0.003","8.479","0.001","21.223","0.004","90","","99.25","0.02","90","","2611.4","0.8","289","2","289","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis[(4-chloroanilino)thiocarbonyl]isophthalamide dimethylformamide solvate","","- C25 H23 Cl2 N5 O3 S2 -","- C25 H23 Cl2 N5 O3 S2 -","- C100 H92 Cl8 N20 O12 S8 -","4","1","XU2013","Zhang, You-Ming; Cao, Cheng; Lin, Qi; Wei, Tai-Bao","<i>N</i>,<i>N</i>'-Bis[(4-chloroanilino)thiocarbonyl]isophthalamide dimethylformamide solvate","Acta Crystallographica Section E","2006","62","5","o1791","o1792","10.1107/S1600536806011664","","","0.71073","MoKα","","0.06","0.036","","","0.083","0.088","","","","","","0.968","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209048","5.885","0.005","7.704","0.007","11.38","0.01","105.98","0.013","94.719","0.014","101.25","0.013","481.4","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one","","- C10 H9 Cl N2 O -","- C10 H9 Cl N2 O -","- C20 H18 Cl2 N4 O2 -","2","1","XU2016","Duan, Xue-Min; Fan, Mei-Lian; Zheng, Peng-Wu; Li, Jiang-Sheng; Huang, Peng-Mian","2-(4-Chlorophenyl)-5-methyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o2019","o2020","10.1107/S1600536806013699","","","0.71073","MoKα","","0.045","0.038","","","0.103","0.111","","","","","","1.07","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209049","30.7601","0.0008","30.7601","0.0008","6.6023","0.0004","90","","90","","90","","6247","0.4","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","N-methyl-N-cis-styrylcinnamamide hydrate","N-Methyl-N-cis-styrylcinnamamide monohydrate","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C288 H304 N16 O32 -","16","1","XU2017","Xue-Song Huang; Shi-Yi Ou; Shu-Ze Tang","<i>N</i>-Methyl-<i>N</i>-<i>cis</i>-styrylcinnamamide monohydrate, a compound of Clausenaminade from <i>Clausena lansium</i> (Lour.) Skeels","Acta Crystallographica Section E","2006","62","5","o1987","o1988","10.1107/S1600536806013663","","","0.71073","MoKα","","0.081","0.042","","","0.095","0.123","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209050","6.886","0.001","13.382","0.001","17.872","0.002","90","","90","","90","","1646.9","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,5-Dimethy-4-[(2-nitrobenzylidene)amino]-2-phenyl-1H-pyrazol-3(4H)-one","","- C18 H16 N4 O3 -","- C18 H16 N4 O3 -","- C72 H64 N16 O12 -","4","1","XU2021","Li, Zong-Xiao; Zhang, Xin-Li","1,5-Dimethy-4-[(2-nitrobenzylidene)amino]-2-phenyl-1<i>H</i>-pyrazol-3(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1738","o1739","10.1107/S1600536806011743","","","0.71073","MoKα","","0.081","0.04","","","0.076","0.087","","","","","","0.844","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209051","7.6403","0.0006","21.103","0.002","9.8015","0.0008","90","","96.066","0.004","90","","1571.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(di-2-pyridylamine-κ^2^N,N')copper(II)]-μ-benzene-1,4- dicarboxylato-κ^4^O,O':O'',O''']","","- C18 H13 Cu N3 O4 -","- C18 H13 Cu N3 O4 -","- C72 H52 Cu4 N12 O16 -","4","1","XU2023","E. Yang; Yi Zheng; Gu-Yong Chen","<i>catena</i>-Poly[[(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-benzene-1,4-dicarboxylato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section E","2006","62","5","m1079","m1080","10.1107/S1600536806013717","","","0.71073","MoKα","","","0.046","","","0.111","0.118","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209052","7.8262","0.0006","9.4869","0.0007","11.8847","0.0007","70.969","0.005","79.213","0.006","77.059","0.006","806.72","0.1","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","5-{[4-(4-Bromophenyl)thiazol-2-yl]aminomethylene}-2,2-dimethyl-1,3- dioxane-4,6-dione","","- C16 H13 Br N2 O4 S -","- C16 H13 Br N2 O4 S -","- C32 H26 Br2 N4 O8 S2 -","2","1","XU2024","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","5-{[4-(4-Bromophenyl)thiazol-2-yl]aminomethylene}-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2006","62","5","o1722","o1723","10.1107/S1600536806011779","","","1.5418","CuKα","","0.035","0.032","","","0.086","0.088","","","","","","1.144","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209053","6.3634","0.0009","8.5293","0.0012","23.588","0.003","90","","95.12","0.003","90","","1275.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(1,3-Benzothiazol-2-yl)-2-naphthol","","- C17 H11 N O S -","- C17 H11 N O S -","- C68 H44 N4 O4 S4 -","4","1","XU2026","Huang, Zhi-Qiang; Du, Zhi-Qiang; Du, Guan-Sheng; Yan, Jun","3-(1,3-Benzothiazol-2-yl)-2-naphthol","Acta Crystallographica Section E","2006","62","5","o2010","o2011","10.1107/S1600536806013730","","","0.71073","MoKα","","0.058","0.043","","","0.106","0.112","","","","","","0.86","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209054","10.915","0.0007","12.9335","0.0008","12.8701","0.0008","90","","103.331","0.001","90","","1767.9","0.19","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-4-Benzylidene-1-(4-chlorophenyl)-2-propylamino-1H-imidazol-5(4H)-one","","- C19 H18 Cl N3 O -","- C19 H18 Cl N3 O -","- C76 H72 Cl4 N12 O4 -","4","1","XU2034","Ma, Rong-Ming; Ng, Seik Weng","(<i>Z</i>)-4-Benzylidene-1-(4-chlorophenyl)-2-propylamino-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o2090","o2091","10.1107/S160053680601467X","","","0.71073","MoKα","","0.083","0.052","","","0.125","0.139","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209055","8.962","0.0018","7.95","0.0016","25.021","0.005","90","","96.51","0.03","90","","1771.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate","","- C19 H18 N2 O5 -","- C19 H18 N2 O5 -","- C76 H72 N8 O20 -","4","1","YA2003","Wang, Hai-Bo; Liu, Zhi-Qian; Yan, Xiao-Chen","Methyl 2-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate","Acta Crystallographica Section E","2006","62","5","o1839","o1840","10.1107/S1600536806010014","","","0.71073","MoKα","","0.128","0.064","","","0.141","0.17","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209056","13.438","0.002","14.49","0.003","13.974","0.003","90","","109.505","0.005","90","","2564.8","0.9","295","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10,10'-Dinitro-10,10'-(propane-1,3-diyl)di-10H-anthracen-9-one","","- C31 H22 N2 O6 -","- C31 H22 N2 O6 -","- C124 H88 N8 O24 -","4","1","YA2006","Arslan, Mustafa; Asker, Erol; Masnovi, John; Baker, Ronald J.","10,10'-Dinitro-10,10'-(propane-1,3-diyl)di-10<i>H</i>-anthracen-9-one","Acta Crystallographica Section E","2006","62","5","o2037","o2039","10.1107/S1600536806013705","","","0.71073","MoKα","","0.202","0.076","","","0.161","0.214","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209057","9.5134","0.0008","14.718","0.001","18.591","0.002","90","","90","","90","","2603.1","0.4","161","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(2,6-Diisopropylphenyl)-<i>N</i>-(1-phenylvinyl)amide-zirconocene chloride","Chloro[<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-(1- phenylvinyl)amide]bis(η^5^-cyclopentadienyl)zirconium","","- C30 H34 Cl N Zr -","- C30 H34 Cl N Zr -","- C120 H136 Cl4 N4 Zr4 -","4","1","YA6282","Rupert, Benjamin L.; Arnold, John; Krajete, Alexander","Chlorobis(η^5^-cyclopentadienyl)[<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-(1-phenylvinyl)amide]zirconium(IV)","Acta Crystallographica Section E","2006","62","5","m950","m951","10.1107/S1600536806011007","","","0.7107","MoKα","","0.065","0.039","","0.045","","0.039","","","","","","1.09","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2209058","26.186","0.002","13.8917","0.0009","12.8986","0.0008","90","","93.197","0.002","90","","4684.8","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tris(1,2-ethanediamine-N,N')nickel(II) dichloride dihydrate","","- C6 H28 Cl2 N6 Ni O2 -","- C6 H28 Cl2 N6 Ni O2 -","- C72 H336 Cl24 N72 Ni12 O24 -","12","3","AC2009","Mei Chao Li; Bing Tu; Ya Qin Li; Ya Ping Lü; Zhi-Min Jin","Tris(1,2-ethanediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) dichloride dihydrate","Acta Crystallographica Section E","2006","62","6","m1405","m1407","10.1107/S1600536806017570","","","0.71073","MoKα","","0.0393","0.0344","","","0.0946","0.0987","","","","","","1.054","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209059","12.237","0.003","6.3181","0.0015","19.362","0.005","90","","101.976","0.004","90","","1464.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Methylbenzoyl)-N-(4-nitrophenyl)thiourea","","- C15 H13 N3 O3 S -","- C15 H13 N3 O3 S -","- C60 H52 N12 O12 S4 -","4","1","AC2017","Yusof, M. Sukeri M.; Hamid, Masrini A.; Ramli, R. N. Hikma R.; Yamin, Bohari M.","<i>N</i>-(4-Methylbenzoyl)-<i>N</i>'-(4-nitrophenyl)thiourea","Acta Crystallographica Section E","2006","62","6","o2131","o2132","10.1107/S1600536806015534","","","0.71073","MoKα","","0.064","0.046","","","0.118","0.128","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209060","13.1832","0.0005","12.2799","0.0005","23.2108","0.001","90","","97.934","0.002","90","","3721.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(pyridine-kN)bis{(Z)-N'-(2,4-dichlorobenzylidene) -2-hydroxybenzohydrazide}cobalt(II)","","- C38 H30 Cl4 Co N6 O4 -","- C38 H30 Cl4 Co N6 O4 -","- C152 H120 Cl16 Co4 N24 O16 -","4","1","AC2018","Qiu, Xiao-Yang; Yang, Sen-Lin; Liu, Wei-Sheng; Zhu, Hai-liang","Bis{(<i>Z</i>)-<i>N</i>'-(2,4-dichlorobenzylidene)-2-hydroxybenzohydrazide-κ^2^<i>N</i>',<i>O</i>}bis(pyridine-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2006","62","6","m1320","m1321","10.1107/S1600536806017569","","","0.71073","MoKα","","0.0688","0.0443","","","0.0908","0.1013","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209061","8.373","0.001","26.177","0.004","16.005","0.002","90","","111.678","0.002","90","","3259.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Butyltriphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)- nickelate(III)","","- C28 H24 Ni P S10 -","- C28 H24 Ni P S10 -","- C112 H96 Ni4 P4 S40 -","4","1","AC2019","Guo, Wen-Feng; Yu, Wen-Tao; Wang, Xin-Qiang; Zhang, Guang-Hui; Xu, Dong","Butyltriphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","Acta Crystallographica Section E","2006","62","6","m1419","m1421","10.1107/S1600536806019210","","","0.71069","MoKα","","0.0737","0.0424","","","0.0926","0.1033","","","","","","0.923","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209062","10.353","0.003","7.592","0.003","23.655","0.01","90","","100.329","0.019","90","","1829.2","1.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-{[1-(5-benzylthio)-1,3,4-oxadiazol-2-yl]ethyl}chlorobenzenesulfonamide","","- C17 H16 Cl N3 O3 S2 -","- C17 H16 Cl N3 O3 S2 -","- C68 H64 Cl4 N12 O12 S8 -","4","1","AC2020","Zareef, Muhammad; Iqbal, Rashid; Zaidi, Javid H.; Arfan, Muhammad; Parvez, Masood","<i>N</i>-{[1-(5-Benzylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}-4-chlorobenzenesulfonamide","Acta Crystallographica Section E","2006","62","6","o2449","o2451","10.1107/S1600536806017557","","","0.71073","MoKα","","0.078","0.048","","","0.104","0.119","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209063","11.935","0.003","5.7061","0.0014","17.873","0.004","90","","108.884","0.003","90","","1151.7","0.5","298","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-β-D-galactopyranoside","","- C21 H26 O11 -","- C21 H26 O11 -","- C42 H52 O22 -","2","1","AC2021","Yan Zhang; Gui-Long Zhao; Jiong Jia; Jian-Wu Wang","4-Methoxyphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranoside","Acta Crystallographica Section E","2006","62","6","o2487","o2489","10.1107/S1600536806018988","","","0.71073","MoKα","","0.0557","0.0431","","","0.0918","0.105","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209064","17.004","0.006","11.429","0.004","21.741","0.01","90","","111.858","0.015","90","","3921","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","9-(2-Chlorophenyl)-1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethylacridine- 1,8-dione","","- C23 H26 Cl N O2 -","- C23 H26 Cl N O2 -","- C184 H208 Cl8 N8 O16 -","8","1","AC2022","Liang-Ce Rong; Xiao-Yue Li; Chang-Sheng Yao; Hai-Ying Wang; Da-Qing Shi","9-(2-Chlorophenyl)-1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethylacridine-1,8-dione","Acta Crystallographica Section E","2006","62","6","o2380","o2381","10.1107/S1600536806017788","","","0.71073","MoKα","","0.1733","0.0779","","","0.1839","0.2689","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209065","7.1159","0.0003","8.4691","0.0003","10.1461","0.0005","99.48","0.002","97.648","0.002","106.745","0.002","566.88","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","N-benzylphthalimide","2-Benzylisoindoline-1,3-dione","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C30 H22 N2 O4 -","2","1","AC2023","Warzecha, Klaus-Dieter; Lex, Johann; Griesbeck, Axel G.","<i>N</i>-Benzylphthalimide","Acta Crystallographica Section E","2006","62","6","o2367","o2368","10.1107/S1600536806017971","","","0.71073","MoKα","","0.0723","0.0429","","","0.0975","0.1076","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209066","7.044","0.001","15.048","0.003","16.179","0.003","90","","92.007","0.003","90","","1713.9","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromo{4-bromo-2-[2-(isopropylamino)ethyliminomethyl]phenolato}zinc(II)","","- C12 H17 Br3 N2 O Zn -","- C12 H17 Br3 N2 O Zn -","- C48 H68 Br12 N8 O4 Zn4 -","4","1","AC2025","Jun-Ying Ma; Shao-Huan Gu; Jin-Wu Guo; Ben-Lian Lv; Wei-Ping Yin","Dibromo{4-bromo-2-[2-(isopropylamino)ethyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2006","62","6","m1437","m1438","10.1107/S1600536806019738","","","0.71073","MoKα","","0.121","0.0718","","","0.1827","0.2154","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209067","9.618","0.002","10.538","0.002","11.482","0.003","90","","104.215","0.01","90","","1128.1","0.4","120","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Phenyl-1-(2-pyridyl)-1H-pyrazol-5-ol","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","AC2029","McFerrin, Cheri A.; Hammer, Robert P.; Fronczek, Frank R.; Watkins, Steven F.","3-Phenyl-1-(2-pyridyl)-1<i>H</i>-pyrazol-5-ol","Acta Crystallographica Section E","2006","62","6","o2518","o2519","10.1107/S1600536806019027","","","0.71073","MoKα","","","0.0524","","","","0.1356","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209068","8.0836","0.001","27.952","0.004","30.483","0.003","90","","90","","90","","6887.7","1.5","296","2","296","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","3-(4-Chlorophenyldiazenyl)-1-methyl-2-phenyl-1H-indole","","- C21 H16 Cl N3 -","- C21 H16 Cl N3 -","- C336 H256 Cl16 N48 -","16","2","AT2026","Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Ertan, Nermin","3-(4-Chlorophenyldiazenyl)-1-methyl-2-phenyl-1<i>H</i>-indole","Acta Crystallographica Section E","2006","62","6","o2108","o2110","10.1107/S1600536806012542","","","0.71073","MoKα","","0.1691","0.1078","","","0.1817","0.2054","","","","","","1.177","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209069","7.9403","0.0012","6.7719","0.0006","11.112","0.0015","90","","99.272","0.006","90","","589.7","0.13","120","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-aminopyridinium p-nitrobenzoate","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","AT2030","Samuel Robinson Jebas; Thailampillai Balasubramanian.","Hydrogen-bonding patterns of 2-aminopyridinium <i>p</i>-nitrobenzoate","Acta Crystallographica Section E","2006","62","6","o2209","o2211","10.1107/S1600536806015042","","","0.71073","MoKα","","","0.053","","","","0.1286","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209070","15.533","0.006","11.414","0.005","24.006","0.01","90","","90","","90","","4256","3","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diethyl 5,10-dihydro-6-iodo-4,11-dioxo-cis-1H,3H,4H,11H-2-oxa-3a,4a,10a,11a- tetraazazbenz[<i>f</i>]indeno[2,1,7-ija]azulene-11b,11c-dicarboxylate","","- C20 H21 I N4 O7 -","- C20 H21 I N4 O7 -","- C160 H168 I8 N32 O56 -","8","1","AT2031","Yun-Feng Chen; Mei Xu; An-Xin Wu","Diethyl 5,10-dihydro-6-iodo-4,11-dioxo-<i>cis</i>-1<i>H</i>,3<i>H</i>,4<i>H</i>,11<i>H</i>-2-oxa-3a,4a,10a,11a-tetraazabenz[<i>f</i>]indeno[2,1,7-<i>ija</i>]azulene-11b,11c-dicarboxylate","Acta Crystallographica Section E","2006","62","6","o2254","o2255","10.1107/S1600536806016011","","","0.71073","MoKα","","0.1024","0.0592","","","0.1319","0.1481","","","","","","0.944","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209071","7.1648","0.0015","8.1522","0.0017","13.866","0.003","73.99","0.003","81.912","0.003","79.552","0.004","762","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N-(3,4-dichlorophenyl)-N'-(3-nitrobenzoyl)thiourea","","- C14 H9 Cl2 N3 O3 S -","- C14 H9 Cl2 N3 O3 S -","- C28 H18 Cl4 N6 O6 S2 -","2","1","AT2032","Yusof, M. Sukeri M.; Rahim, S. Sarah A.; Yamin, Bohari M.","<i>N</i>-(3,4-Dichlorophenyl)-<i>N</i>'-(3-nitrobenzoyl)thiourea","Acta Crystallographica Section E","2006","62","6","o2231","o2232","10.1107/S1600536806015996","","","0.71073","MoKα","","0.057","0.042","","","0.098","0.105","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209072","15.5187","0.0013","10.6596","0.0009","16.2842","0.0013","90","","107.553","0.002","90","","2568.4","0.4","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methylpyridinium saccharinate","","- C13 H12 N2 O3 S -","- C13 H12 N2 O3 S -","- C104 H96 N16 O24 S8 -","8","2","AT2033","Wang, Zi-Liang; Li, Ming-Xue; Wei, Lin-Heng; Wang, Jing-Ping","2-Methylpyridinium saccharinate","Acta Crystallographica Section E","2006","62","6","o2171","o2172","10.1107/S1600536806016023","","","0.71073","MoKα","","0.0542","0.0446","","","0.1208","0.1268","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209073","8.7573","0.0012","11.9212","0.0016","14.758","0.002","90","","102.227","0.002","90","","1505.7","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~2~-3,5-diaminobenzoato)-κ^3^N:O,O';κ^3^O:O,O')lead(II)]","","- C14 H14 N4 O4 Pb -","- C14 H14 N4 O4 Pb -","- C56 H56 N16 O16 Pb4 -","4","1","BD2003","An-Zhi Tan; You-Huan Wei; Fu-Pei Liang; Zi-Lu Chen; Rui-Xiang Hu","Poly[bis(μ~2~-3,5-diaminobenzoato)-κ^3^<i>N</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-lead(II)]","Acta Crystallographica Section E","2006","62","6","m1434","m1436","10.1107/S160053680601885X","","","0.71073","MoKα","","0.0507","0.0364","","","0.0789","0.0855","","","","","","0.988","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209074","10.2191","0.001","10.8421","0.0014","11.3449","0.0015","90","","115.065","0.011","90","","1138.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-Chlorobenzoylmethyl)pyrimidin-2(1H)-one","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C48 H36 Cl4 N8 O8 -","4","1","BD2004","Victor B. Rybakov; Alexander A. Tsisevich; Kirill V.Nikitin; Vadim L.Alifanov; Eugene V. Babaev","1-(4-Chlorobenzoylmethyl)pyrimidin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","6","o2546","o2547","10.1107/S1600536806018927","","","1.5418","CuKα","","0.084","0.0544","","","0.1374","0.1606","","","","","","1.142","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209075","6.0688","0.0007","11.0033","0.0013","20.759","0.002","90","","91.284","0.002","90","","1385.9","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis[(diphenylphosphinoyl)methyl]-1,4-phenylenediamine","","- C32 H30 N2 O2 P2 -","- C32 H30 N2 O2 P2 -","- C64 H60 N4 O4 P4 -","2","0.5","BD2005","Qing-Ling Ni; Yan-Fang Liao; Xiu-Jian Wang; Xian-Shu Bi; Xiang-Gao Meng","<i>N</i>,<i>N</i>'-Bis[(diphenylphosphinoyl)methyl]-1,4-phenylenediamine","Acta Crystallographica Section E","2006","62","6","o2495","o2496","10.1107/S1600536806018861","","","0.71073","MoKα","","0.1167","0.0779","","","0.216","0.2513","","","","","","0.991","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209076","7.1625","0.0011","12.68","0.002","19.573","0.005","90","","90","","90","","1777.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,10-phenanthroline‒(L)-(+)-tartaric acid‒water (1/1/3)","","- C16 H20 N2 O9 -","- C16 H20 N2 O9 -","- C64 H80 N8 O36 -","4","1","BH2009","Wang, Zi-Liang; Li, Ming-Xue; Wei, Lin-Heng; Wang, Jing-Ping","1,10-Phenanthroline (2<i>R</i>,3<i>R</i>)-tartaric acid trihydrate","Acta Crystallographica Section E","2006","62","6","o2508","o2509","10.1107/S1600536806018824","","","0.71073","MoKα","","0.0704","0.0529","","","0.1306","0.1395","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209077","17.326","0.003","8.0669","0.0015","21.673","0.004","90","","92.441","0.002","90","","3026.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-Bis{2-[2-(4-nitrophenoxy)ethoxy]ethyl}ferrocene dicarboxylate","","- C32 H32 Fe N2 O12 -","- C32 H32 Fe N2 O12 -","- C128 H128 Fe4 N8 O48 -","4","0.5","BH2014","Guo, Dian-Shun; Zhang, Li-Li; Ma, Jian-Ping; Liu, Zhi-Peng","Bis{2-[2-(4-nitrophenoxy)ethoxy]ethyl} ferrocene-1,1'-dicarboxylate","Acta Crystallographica Section E","2006","62","6","m1283","m1284","10.1107/S1600536806016758","","","0.71073","MoKα","","0.0349","0.0314","","","0.0801","0.082","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209078","10.123","0.002","18.835","0.004","12.326","0.002","90","","105.255","0.002","90","","2267.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[μ~2~-η^5^,η^5^-1,1'-(propane-1,3-diyldicarbonyl)dicyclopentadienyl]- μ~3~-thio-heptacarbonylirondimolybdenum(2 Fe—Mo, Mo—Mo)","","- C22 H14 Fe Mo2 O9 S -","- C22 H14 Fe Mo2 O9 S -","- C88 H56 Fe4 Mo8 O36 S4 -","4","1","BH2016","Guo, Dian-Shun; Gao, Yong-Hong; Zhang, Xiao-Ling; Ma, Jian-Ping","A novel organometallic macrocycle containing a tetrahedral Mo~2~Fe(μ~3~-S) cluster core","Acta Crystallographica Section E","2006","62","6","m1285","m1286","10.1107/S160053680601676X","","","0.71073","MoKα","","0.0225","0.02","","","0.0497","0.051","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209079","29.879","0.01","4.9185","0.0018","14.04","0.005","90","","103.754","0.006","90","","2004.2","1.2","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-Bis(3,4,5-trimethoxybenzylidene)hydrazine","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","0.5","BH2017","Bing, Zhao; Ya-Qing, Feng; Jun-Wei, Guo; Jing, Wang","<i>N</i>,<i>N</i>'-Bis(3,4,5-trimethoxybenzylidene)hydrazine","Acta Crystallographica Section E","2006","62","6","o2413","o2414","10.1107/S1600536806018307","","","0.71073","MoKα","","0.0783","0.0455","","","0.1207","0.1391","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209080","25.094","0.006","12.755","0.003","19.891","0.005","90","","103.926","0.004","90","","6179","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7,8-Dihydro-7,7-dimethyl-5-p-tolyl-10-(3,4,5-trimethoxyphenyl)-5H- indeno[1,2-b]quinoline-9,11(6H,10H)-dione hemihydrate","","- C34 H34 N O5.5 -","- C34 H34 N O5.5 -","- C272 H272 N8 O44 -","8","1","BH2018","Tu, Shu-Jiang; Jiang, Bo; Yao, Cheng-Sheng","7,8-Dihydro-7,7-dimethyl-5-<i>p</i>-tolyl-10-(3,4,5-trimethoxyphenyl)-5<i>H</i>-indeno[1,2-<i>b</i>]quinoline-9,11(6<i>H</i>,10<i>H</i>)-dione hemihydrate","Acta Crystallographica Section E","2006","62","6","o2406","o2407","10.1107/S1600536806018289","","","0.71073","MoKα","","0.1921","0.0731","","","0.1771","0.2391","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2209081","7.449","0.001","11.329","0.002","14.564","0.002","111.27","0.02","99.16","0.01","98.52","0.02","1102","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis(bipyridine-κ^2^N,N')nitratocopper(II) hexafluorophosphate","","- C20 H16 Cu F6 N5 O3 P -","- C20 H16 Cu F6 N5 O3 P -","- C40 H32 Cu2 F12 N10 O6 P2 -","2","1","BI2008","Beobide, Garikoitz; Castillo, Oscar; García-Couceiro, Urko; García-Terán, Juan P.; Luque, Antonio","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ<i>O</i>)copper(II) hexafluorophosphate","Acta Crystallographica Section E","2006","62","6","m1353","m1355","10.1107/S1600536806018083","","","0.71073","MoKα","","0.0913","0.0397","","","0.0617","0.0705","","","","","","0.736","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209082","17.4375","0.0014","7.4054","0.0005","11.0348","0.0009","90","","104.049","0.002","90","","1382.32","0.18","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N-Ferrocenylmethyl)dimethylammonium nitrate","","- C13 H18 Fe N2 O3 -","- C13 H18 Fe N2 O3 -","- C52 H72 Fe4 N8 O12 -","4","1","BI2009","Guo, Hong-Xu; Yang, Liu-Ming; Zhang, Shi-Dong","(<i>N</i>-Ferrocenylmethyl)dimethylammonium nitrate","Acta Crystallographica Section E","2006","62","6","m1338","m1339","10.1107/S1600536806017867","","","0.71073","MoKα","","0.0926","0.0666","","","0.1434","0.1627","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209083","15.0408","0.0017","6.0375","0.0007","14.3943","0.0017","90","","105.068","0.002","90","","1262.2","0.3","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Chloro-2-[(<i>E</i>)-(4-fluorophenyl)methyliminomethyl]phenol","","- C14 H11 Cl F N O -","- C14 H11 Cl F N O -","- C56 H44 Cl4 F4 N4 O4 -","4","1","BI2010","Li, Yu-Guang; Zhu, Hai-Liang; Ai, Li; Huang, Wei-Na","4-Chloro-2-[(<i>E</i>)-(4-fluorophenyl)methyliminomethyl]phenol","Acta Crystallographica Section E","2006","62","6","o2219","o2220","10.1107/S1600536806016588","","","0.71073","MoKα","","0.0811","0.0577","","","0.1536","0.1709","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209084","14.8505","0.0019","5.4005","0.0007","23.582","0.003","90","","100.824","0.002","90","","1857.6","0.4","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Propane-1,3-diyl bis(p-toluenesulfonate)","","- C17 H20 O6 S2 -","- C17 H20 O6 S2 -","- C68 H80 O24 S8 -","4","0.5","BI2011","Li, Qing-Xiang; Shen, Yun-Jun; Liu, Chang-Lin; Yu, Guo-Ping","Propane-1,3-diyl bis(<i>p</i>-toluenesulfonate)","Acta Crystallographica Section E","2006","62","6","o2464","o2465","10.1107/S1600536806018071","","","0.71073","MoKα","","0.1028","0.0561","","","0.1071","0.1226","","","","","","0.895","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209085","10.9883","0.0014","14.7789","0.0019","10.3156","0.0013","90","","94.418","0.002","90","","1670.2","0.4","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[N,N'-Bis(2-oxidophenylmethyleneimino)propane-1,3-diamine]copper(II) methanol solvate","","- C18 H20 Cu N2 O3 -","- C18 H20 Cu N2 O3 -","- C72 H80 Cu4 N8 O12 -","4","1","BI2014","Huang, Wei-Qian; Zhu, Yan-Hu; Huang, Wei-Na; Chen, Man; Chen, Xin-Zhi","[<i>N</i>,<i>N</i>'-Bis(2-oxidobenzylidene)propane-1,3-diamine]copper(II) methanol solvate","Acta Crystallographica Section E","2006","62","6","m1451","m1452","10.1107/S1600536806019829","","","0.71073","MoKα","","0.0638","0.0474","","","0.1267","0.1339","","","","","","0.978","","","","has coordinates,has disorder,has Fobs","198643","2020-10-21","18:00:00",""
"2209086","6.2993","0.0013","6.7205","0.0013","11.962","0.002","90","","98.71","0.03","90","","500.56","0.17","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Niobium selenide trichloride","","- Cl3 Nb Se -","- Cl3 Nb Se -","- Cl12 Nb4 Se4 -","4","1","BR2006","Meerschaut, Alain","Niobium selenide trichloride, NbSeCl~3~","Acta Crystallographica Section E","2006","62","6","i131","i132","10.1107/S1600536806016242","","","0.71073","MoKα","","0.064","0.0391","","","0.0686","0.0733","","","","","","0.986","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209087","10.214","0.0007","10.214","0.0007","10.214","0.0007","90","","90","","90","","1065.58","0.13","294","2","294","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","dirubidium dimanganese trisulfate","","- Mn2 O12 Rb2 S3 -","- Mn2 O12 Rb2 S3 -","- Mn8 O48 Rb8 S12 -","4","0.333333","BR2007","Swain, Diptikanta; Guru Row, T. N.","Rb~2~Mn~2~(SO~4~)~3~, a new member of the langbeinite family","Acta Crystallographica Section E","2006","62","6","m138","m139","10.1107/S1600536806019490","","","0.71073","MoKα","","0.0137","0.0131","","","0.0377","0.0378","","","","","","1.234","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209088","10.0312","0.0006","20.8599","0.0013","14.1305","0.0008","90","","100.973","0.001","90","","2902.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Benzylidene-3',7'-diphenylcyclohexanespiro-6'-(perhydro-2-thiapyrrolizine)- 5'-spiro-3''-1H-indole-2,2''-dione","","- C37 H32 N2 O2 S -","- C37 H32 N2 O2 S -","- C148 H128 N8 O8 S4 -","4","1","BT2045","A. Subbiahpandi; D. Velmurugan; K. Ravikumar; R. Raghunathan","3-Benzylidene-3',7'-diphenylcyclohexanespiro-6'-(perhydro-2-thiapyrrolizidine)-5'-spiro-3''-1<i>H</i>-indole-2,2''-dione","Acta Crystallographica Section E","2006","62","6","o2259","o2260","10.1107/S160053680601573X","","","0.71073","MoKα","","0.0675","0.0514","","","0.1306","0.1416","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209089","10.0903","0.0002","15.353","0.0004","11.3422","0.0003","90","","105.801","0.002","90","","1690.7","0.07","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-methyl(phenyl)methanaminium benzyl(methyl)carbamodithioate","","- C17 H22 N2 S2 -","- C17 H22 N2 S2 -","- C68 H88 N8 S8 -","4","1","BT2046","Shaheen, Farkhanda; Badshah, Amin; Wurst, Klaus; Najam-Ul-Haq, Muhammad; Ali, Saqib","<i>N</i>-Benzylmethanaminium <i>N</i>-benzyl-<i>N</i>-methyldithiocarbamate","Acta Crystallographica Section E","2006","62","6","o2342","o2343","10.1107/S1600536806017648","","","0.71073","MoKα","","0.0447","0.0368","","","0.0914","0.0957","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209090","5.4549","0.0006","9.176","0.001","40.718","0.003","90","","90","","90","","2038.1","0.3","299","2","299","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","malabaricone-D","1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one monohydrate","","- C21 H28 O6 -","- C21 H28 O6 -","- C84 H112 O24 -","4","1","BT2058","Bauri, A. K.; Nayak, S. K.; Foro, Sabine; Lindner, Hans-Jörg","Malabaricone C monohydrate","Acta Crystallographica Section E","2006","62","6","o2202","o2203","10.1107/S1600536806015273","","","1.5418","CuKα","","0.051","0.0476","","","0.1334","0.1369","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209091","8.954","0.003","10.305","0.003","13.329","0.003","100.471","0.014","106.617","0.016","111.01","0.017","1043.1","0.6","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-(2,5-Dimethyl-3-thienyl)-2-[5-(1,3-dithiolan-2-yl)-2-methyl-3-thienyl]- 3,3,4,4,5,5-hexafluoro-cyclopent-1-ene","","- C19 H16 F6 S4 -","- C19 H16 F6 S4 -","- C38 H32 F12 S8 -","2","1","BT2060","Pu, Shou-Zhi; Yang, Tian-She; Liu, Gang; Wang, Ru-Ji; Xu, Jing-Kun","1-(2,5-Dimethyl-3-thienyl)-2-[5-(1,3-dithiolan-2-yl)-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene: a new photochromic diarylethene compound","Acta Crystallographica Section E","2006","62","6","o2117","o2119","10.1107/S1600536806015054","","","0.71073","MoKα","","0.0608","0.054","","","0.1076","0.1106","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209092","11.821","0.005","15.426","0.006","17.145","0.007","90","","90","","90","","3126","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrabutylammonium bis(2-amidobenzenethiolato-κ^2^S,N)oxorhenate(V)","","- C28 H46 N3 O Re S2 -","- C28 H46 N3.004 O Re S2.004 -","- C112 H184 N12.016 O4 Re4 S8.016 -","4","1","BT2062","Ewa Gniazdowska; Werner Kraus; Franziska Emmerling; Hartmut Spies; Holger Stephan","Tetrabutylammonium bis(2-amidobenzenethiolato-κ^2^<i>S</i>,<i>N</i>)oxorhenate(V)","Acta Crystallographica Section E","2006","62","6","m1197","m1199","10.1107/S160053680601511X","","","0.71073","MoKα","","0.152","0.0526","","","0.1043","0.1249","","","","","","0.841","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209093","8.587","0.007","8.636","0.005","8.746","0.014","80.04","0.09","64.67","0.08","85.18","0.06","577.4","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Hydroxy-6,7-dimethoxy-8-nitro-1,2,3,4-tetrahydroisoquinoline","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C22 H28 N4 O10 -","2","1","BT2065","Roqué-Rosell, Nuria; Cironi, Pablo; Solans, Xavier; Albericio, Fernando; Álvarez, Mercedes","1-Hydroxy-6,7-dimethoxy-8-nitro-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section E","2006","62","6","o2285","o2287","10.1107/S160053680601693X","","","0.71073","MoKα","","0.0699","0.0397","","","0.0903","0.0974","","","","","","1.078","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209094","8.0251","0.0008","14.8898","0.0014","15.5679","0.0016","90","","93.163","0.004","90","","1857.4","0.3","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,5,12,13-Tetraacetyl[2.2]paracyclophane","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","1","BT2066","Narayanan, Swaminathan Vijay; Hopf, Henning; Jones, Peter G.","4,5,12,13-Tetraacetyl[2.2]paracyclophane","Acta Crystallographica Section E","2006","62","6","o2125","o2126","10.1107/S1600536806015261","","","0.71073","MoKα","","0.072","0.047","","","0.1208","0.1323","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209095","6.651","0.003","7.971","0.003","8.048","0.003","80.33","0.03","89.07","0.03","81.43","0.03","415.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-8-thia-1,4-epoxybicyclo[4.3.0]non-2-ene","","- C8 H9 Cl O S -","- C8 H9 Cl O S -","- C16 H18 Cl2 O2 S2 -","2","1","BT2067","Koşar, Başak; Göktürk, Ersen; Kazaz, Cavit; Büyükgüngör, Orhan; Demircan, Aydın","6-Chloro-8-thia-1,4-epoxybicyclo[4.3.0]non-2-ene","Acta Crystallographica Section E","2006","62","6","o2144","o2145","10.1107/S1600536806015698","","","0.71073","MoKα","","0.0575","0.0469","","","0.1184","0.1267","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209096","20.094","0.003","9.4907","0.0014","15.0418","0.0017","90","","106.953","0.012","90","","2743.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1-(4-chlorophenacyl)-2-methyl-4,5-dinitroimidazole","1-(4-Chlorophenacyl)-2-methyl-4,5-dinitro-1H-imidazole","","- C12 H9 Cl N4 O5 -","- C12 H9 Cl N4 O5 -","- C96 H72 Cl8 N32 O40 -","8","1","BT2068","Gzella, Andrzej; Kaczmarek, Michał S.; Woźniak, Zenon","1-(4-Chlorophenacyl)-2-methyl-4,5-dinitro-1<i>H</i>-imidazole","Acta Crystallographica Section E","2006","62","6","o2168","o2170","10.1107/S1600536806016138","","","1.54178","CuKα","","0.043","0.038","","","0.113","0.117","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209097","9.6392","0.0013","9.6392","0.0013","31.162","0.006","90","","90","","90","","2895.4","0.8","294","2","294","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","N-cyclohexyl-2-nitrobenzenesulfonamide","","- C12 H16 N2 O4 S -","- C12 H16 N2 O4 S -","- C96 H128 N16 O32 S8 -","8","1","BT2069","Yu-Ye Yu","<i>N</i>-Cyclohexyl-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2006","62","6","o2263","o2264","10.1107/S1600536806016953","","","0.71073","MoKα","","0.0771","0.0429","","","0.0916","0.1046","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209098","5.9055","0.0019","9.133","0.003","14.584","0.005","101.028","0.004","90.411","0.004","94.264","0.005","769.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3-Dibromo-3-(4-methoxyphenyl)-1-phenylpropan-1-one","","- C16 H14 Br2 O2 -","- C16 H14 Br2 O2 -","- C32 H28 Br4 O4 -","2","1","BT2070","Ray J. Butcher; Yathirajan, H. S.; Anilkumar, H. G.; Sarojini, B. K.; Narayana, B.","2,3-Dibromo-3-(4-methoxyphenyl)-1-phenylpropan-1-one","Acta Crystallographica Section E","2006","62","6","o2525","o2527","10.1107/S1600536806019118","","","0.71073","MoKα","","0.0812","0.0481","","","0.1203","0.1367","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209099","10.5926","0.0006","11.4144","0.0006","16.6896","0.0009","90","","94.102","0.001","90","","2012.74","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(p-Bromophenyl)-5-(benzenesulfonyl)perhydrothiazolidine[3,4-a]pyrrolo[4,5-c] pyrrole","","- C20 H21 Br N2 O2 S2 -","- C20 H21 Br N2 O2 S2 -","- C80 H84 Br4 N8 O8 S8 -","4","1","BT2071","R. Praveen Kumar; D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran","2-(4-Bromophenyl)-5-(phenylsulfonyl)perhydrothiazolo[3,4-<i>a</i>]pyrrolo[4,5-<i>c</i>]pyrrole","Acta Crystallographica Section E","2006","62","6","o2429","o2431","10.1107/S160053680601765X","","","0.71073","MoKα","","0.0467","0.0368","","","0.1005","0.1072","","","","","","0.952","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209100","15.5905","0.0011","8.6684","0.0006","21.2931","0.0011","90","","125.32","0.004","90","","2348","0.3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(N,N-Dimethylamino)methylferrocenyl]methyl(N-methylanilino)phenylsilane","","- C27 H32 Fe N2 Si -","- C27 H32 Fe N2 Si -","- C108 H128 Fe4 N8 Si4 -","4","1","BT2073","Böhme, Uwe; Günther, Betty","[(<i>N</i>,<i>N</i>-Dimethylamino)methylferrocenyl]methyl(<i>N</i>-methylanilino)phenylsilane","Acta Crystallographica Section E","2006","62","6","m1340","m1341","10.1107/S1600536806017958","","","0.71073","MoKα","","0.0404","0.0301","","","0.0811","0.0872","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209101","19.733","0.004","13.083","0.003","9.643","0.0019","90","","90","","90","","2489.5","0.9","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","ZnCl4(paraphenylenediamine)","p-Phenylenediammonium tetrachlorozinc","","- C6 H10 Cl4 N2 Zn -","- C6 H10 Cl4 N2 Zn -","- C48 H80 Cl32 N16 Zn8 -","8","1","BT2074","Bringley, Joseph F.; Rajeswaran, Manju","<i>p</i>-Phenylenediammonium tetrachlorozincate(II)","Acta Crystallographica Section E","2006","62","6","m1304","m1305","10.1107/S1600536806016837","","","0.71073","MoKα","","0.0343","0.0312","","","0.0772","0.0792","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209102","24.731","0.007","7.2792","0.0016","16.151","0.004","90","","95.277","0.019","90","","2895.2","1.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Diethyl naphthalene-1,4-dicarboxylate","","- C16 H16 O4 -","- C16 H16 O4 -","- C128 H128 O32 -","8","1","BT2075","Lin-Hai Jing; Da-Bin Qin; Huan-Xia Zhang; Shao-Jin Gu; Zhi-Hua Mao","Diethyl naphthalene-1,4-dicarboxylate","Acta Crystallographica Section E","2006","62","6","o2300","o2301","10.1107/S1600536806017119","","","0.71073","MoKα","","0.1061","0.0643","","","0.1499","0.1725","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209103","11.28","0.01","14.51","0.01","12.22","0.02","90","","90.11","0.05","90","","2000","4","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[aqua(di-2-pyridylamine-κ^2^N:N')nickel(II)]-μ-4-aminobenzoato- κ^3^O,O':N] chloride trihydrate]","","- C17 H23 Cl N4 Ni O6 -","- C17 H23 Cl N4 Ni O6 -","- C68 H92 Cl4 N16 Ni4 O24 -","4","1","BT2076","Li, Li; Wang, Yue; Okabe, Nobuo; Odoko, Mamiko; Lu, Tao","<i>catena</i>-Poly[[[aqua(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-4-aminobenzoato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>] chloride trihydrate]","Acta Crystallographica Section E","2006","62","6","m1390","m1392","10.1107/S1600536806018587","","","0.7107","MoKα","","","0.035","","","","0.086","","","","","","0.837","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2209104","12.971","0.003","15.608","0.003","16.75","0.003","90","","98.398","0.003","90","","3354.7","1.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(propane-1,3-diammonium) di-μ~5~-phosphato-pentamolybdate(VI) tetrahydrate","","- C9 H44 Mo5 N6 O27 P2 -","- C9 H44 Mo5 N6 O27 P2 -","- C36 H176 Mo20 N24 O108 P8 -","4","1","BT2077","Hui-Yan Liu; Hai-Ying Wang; Feng Gao; Zai-Sheng Lu; De-Zhong Niu","Tris(propane-1,3-diammonium) di-μ~5~-phosphato-pentamolybdate(VI) tetrahydrate","Acta Crystallographica Section E","2006","62","6","m1260","m1262","10.1107/S1600536806016941","","","0.71073","MoKα","","0.037","0.0328","","","0.0896","0.0919","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209105","7.1911","0.0006","12.1574","0.0012","18.7595","0.0012","90","","90","","90","","1640.1","0.2","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","3-methoxyanilinium 5-sulfosalicylate dihydrate","3-methoxyanilinium 3-carboxy-4-hydroxybenzenesulfonate dihydrate","","- C14 H19 N O9 S -","- C14 H19 N O9 S -","- C56 H76 N4 O36 S4 -","4","1","BT2078","Graham Smith; Urs D. Wermuth; Peter C. Healy","3-Methoxyanilinium 3-carboxy-4-hydroxybenzenesulfonate dihydrate","Acta Crystallographica Section E","2006","62","6","o2313","o2315","10.1107/S1600536806017090","","","0.71069","MoKα","","0.069","0.0371","","","0.0969","0.1294","","","","","","0.843","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209106","8.7049","0.0007","11.3913","0.0011","10.5121","0.0011","90","","90","","90","","1042.38","0.17","220","2","220","2","","","","","","","","5","C m c m","-C 2c 2","63","","Diiodobis(acetonitrile-N)zinc(II)","","- C4 H6 I2 N2 Zn -","- C4 H6 I2 N2 Zn -","- C16 H24 I8 N8 Zn4 -","4","0.25","BT2080","Bhosekar, Gaurav; Jeß, Inke; Näther, Christian","A redetermination of (acetonitrile-κ<i>N</i>)diiodozinc(II)","Acta Crystallographica Section E","2006","62","6","m1315","m1316","10.1107/S1600536806017600","","","0.71073","MoKα","","0.0363","0.0324","","","0.0858","0.0877","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209107","7.4164","0.0005","15.9171","0.0011","15.407","0.0012","90","","93.063","0.009","90","","1816.2","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(diethylenetriamine)cobalt(II) tetrathiomolybdate(VI) oxotrithiamolybdate(VI)","","- C16 H52 Co2 Mo2 N12 O S7 -","- C16 H52 Co2 Mo2 N12 O S7 -","- C32 H104 Co4 Mo4 N24 O2 S14 -","2","0.5","BT2081","Poisot, Martha; Näther, Christian; Bensch, Wolfgang","Bis(diethylenetriamine)cobalt(II) tetrathiomolybdate(VI) oxotrithiamolybdate(VI)","Acta Crystallographica Section E","2006","62","6","m1326","m1328","10.1107/S1600536806017934","","","0.71073","MoKα","","0.0628","0.0408","","","0.0905","0.0985","","","","","","1.024","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2209108","8.8721","0.0007","10.7042","0.0008","14.2846","0.0011","109.418","0.001","100.584","0.001","102.447","0.001","1200.38","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Acenapthene-2-spiro-5'-perhydrodipyrrole[1,2-a;2',1'-c]pyrazine-6'- spiro-2''-acenapthene-1,1''-dione","","- C32 H26 N2 O2 -","- C32 H26 N2 O2 -","- C64 H52 N4 O4 -","2","1","BT2082","S. Sugaleshini; D. Gayathri; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu","Acenapthene-2-spiro-5'-perhydrodipyrrolo[1,2-<i>a</i>;2',1'-<i>c</i>]pyrazine-6'-spiro-2''-acenapthene-1,1''-dione","Acta Crystallographica Section E","2006","62","6","o2432","o2434","10.1107/S1600536806017661","","","0.71073","MoKα","","0.0522","0.0453","","","0.122","0.1283","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209109","10.6198","0.0011","12.4497","0.0012","20.141","0.002","90","","90","","90","","2662.9","0.5","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Dimethyl-2-(p-tolylsulfonyl)butyric acid","","- C13 H18 O4 S -","- C13 H18 O4 S -","- C104 H144 O32 S8 -","8","1","BT2083","Jones, Peter G.; Łysiak, Violetta; Jarzembek, Krystyna; Kuś, Piotr","2,3-Dimethyl-2-(<i>p</i>-tolylsulfonyl)butyric acid","Acta Crystallographica Section E","2006","62","6","o2427","o2428","10.1107/S1600536806017879","","","0.71073","MoKα","","0.0485","0.0366","","","0.0958","0.1045","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209110","15.551","0.0016","6.9695","0.0014","25.22","0.002","90","","103.46","0.03","90","","2658.3","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","1-Acetyl-3,3-bis[3-(4-methylphenyl)-1,2,4-oxadiazol-5-ylmethyl]-1H- indol-2(3H)-one","","- C30 H25 N5 O4 -","- C30 H25 N5 O4 -","- C120 H100 N20 O16 -","4","1","BT2086","Yan, Xiao-Chen; Wang, Hai-Bo; Liu, Zhi-Qian","1-Acetyl-3,3-bis[3-(4-methylphenyl)-1,2,4-oxadiazol-5-ylmethyl]-1<i>H</i>-indol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","6","o2462","o2463","10.1107/S160053680601854X","","","0.71073","MoKα","","0.0647","0.0435","","","0.1096","0.1269","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209111","10.8968","0.0006","32.2055","0.0019","7.8404","0.0005","90","","90.819","0.001","90","","2751.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2-Chlorophenyl)-3-(4-methylbenzoyl)thiourea","","- C15 H13 Cl N2 O S -","- C15 H13 Cl N2 O S -","- C120 H104 Cl8 N16 O8 S8 -","8","2","BT2087","Saeed, Aamer; Flörke, Ulrich","1-(2-Chlorophenyl)-3-(4-methylbenzoyl)thiourea","Acta Crystallographica Section E","2006","62","6","o2403","o2405","10.1107/S1600536806018319","","","0.71073","MoKα","","0.0504","0.0422","","","0.099","0.1031","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209112","13.8477","0.0006","9.9505","0.0004","17.033","0.0003","90","","94.432","0.003","90","","2339.99","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetracarbonyl(tricyclohexylphosphine)iron(0)","","- C22 H33 Fe O4 P -","- C22 H33 Fe O4 P -","- C88 H132 Fe4 O16 P4 -","4","1","BT2090","Imhof, Wolfgang; Berger, Daniel","Tetracarbonyl(tricyclohexylphosphine)iron(0)","Acta Crystallographica Section E","2006","62","6","m1376","m1377","10.1107/S1600536806018551","","","0.71073","MoKα","","0.0402","0.0348","","","0.094","0.0988","","","","","","1.028","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209113","9.434","0.005","9.9087","0.0016","16.789","0.009","90","","97.32","0.03","90","","1556.6","1.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-(4-fluorophenyl)-4-(4-pyridyl)quinolin-2(1H)-one","3-(4-Fluorophenyl)-4-(4-pyridyl)quinolin-2(1H)-one","","- C20 H13 F N2 O -","- C20 H13 F N2 O -","- C80 H52 F4 N8 O4 -","4","1","BT2093","Christian Peifer; Schollmeyer, Dieter; Stefanie Laudage; Stefan Laufer","3-(4-Fluorophenyl)-4-(4-pyridyl)quinolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","6","o2475","o2477","10.1107/S1600536806018885","","","1.54178","CuKα","","0.0695","0.0471","","","0.1127","0.1248","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209114","14.4471","0.0008","7.7226","0.0004","17.4659","0.001","90","","92.406","0.001","90","","1946.94","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(3-Bromophenyl)-3-[3-(4-isobutylphenyl)propanoyl]thiourea","","- C20 H23 Br N2 O S -","- C20 H23 Br N2 O S -","- C80 H92 Br4 N8 O4 S4 -","4","1","BT2094","Saeed, Aamer; Flörke, Ulrich","1-(3-Bromophenyl)-3-[3-(4-isobutylphenyl)propanoyl]thiourea","Acta Crystallographica Section E","2006","62","6","o2528","o2530","10.1107/S1600536806019143","","","0.71073","MoKα","","0.0409","0.034","","","0.0841","0.0873","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209115","9.401","0.003","16.562","0.003","16.868","0.005","90","","92.74","0.03","90","","2623.3","1.2","293","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[trimethylammonium [[diaquabis(dichloroacetato- κ^2^O,O')gadolinium(III)]-di-μ-dichloroacetato-κ^4^O:O'] dichloroacetate]","","- C11 H18 Cl8 Gd N O10 -","- C11 H18 Cl8 Gd N O10 -","- C44 H72 Cl32 Gd4 N4 O40 -","4","1","BT2096","Rohde, Alexander; Urland, Werner","<i>catena</i>-Poly[trimethylammonium [[diaquabis(dichloroacetato-κ^2^<i>O</i>,<i>O</i>')gadolinium(III)]-di-μ-dichloroacetato-κ^4^<i>O</i>:<i>O</i>'] dichloroacetate]","Acta Crystallographica Section E","2006","62","6","m1445","m1447","10.1107/S1600536806019453","","","0.71073","MoKα","","0.0475","0.0345","","","0.082","0.0868","","","","","","0.951","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209116","12.1771","0.0006","13.2172","0.0007","11.0141","0.0008","90","","90.785","0.005","90","","1772.52","0.18","298","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Benzyl-7-hydroxy-1-(2-methoxyphenyl)-1H,7H-2,3- dihydroimidazo[1,2-a]pyrimidin-5-one","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","BX2005","Wysocki, Waldemar; Matosiuk, Dariusz; Karczmarzyk, Zbigniew; Rządkowska, Marzena; Urbańczyk-Lipkowska, Zofia","6-Benzyl-7-hydroxy-1-(2-methoxyphenyl)-2,3-dihydro-1<i>H</i>,7<i>H</i>-imidazo[1,2-<i>a</i>]pyrimidin-5-one","Acta Crystallographica Section E","2006","62","6","o2548","o2550","10.1107/S1600536806019015","","","1.54178","CuKα","","","0.0499","","","","0.1565","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209117","25.194","0.007","13.375","0.003","11.419","0.003","90","","111.49","0.03","90","","3580.4","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-iodo(p-iodophenyl)bis(triphenylphosphine)palladium(II)","","- C42 H34 I2 P2 Pd -","- C42 H34 I2 P2 Pd -","- C168 H136 I8 P8 Pd4 -","4","0.5","CF2020","Gniewek, Andrzej; Ziółkowski, Józef J.; Lis, Tadeusz","<i>trans</i>-Iodo(<i>p</i>-iodophenyl)bis(triphenylphosphine)palladium(II)","Acta Crystallographica Section E","2006","62","6","m1428","m1430","10.1107/S1600536806018903","","","0.71073","MoKα","","0.055","0.031","","","0.06","0.064","","","","","","0.891","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209118","18.23","0.003","9.4065","0.0016","19.578","0.003","90","","90","","90","","3357.2","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis[2-(1H-benzimidazol-1-yl)ethyl] ether monohydrate","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C144 H160 N32 O16 -","8","1","CF2024","Cai-Feng Ding; Mei-Ling Zhang; Xue-Mei Li; Shu-Sheng Zhang","Bis[2-(1<i>H</i>-benzimidazol-1-yl)ethyl] ether monohydrate","Acta Crystallographica Section E","2006","62","6","o2531","o2532","10.1107/S1600536806019088","","","0.71073","MoKα","","0.0549","0.0385","","","0.091","0.1006","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209119","29.8317","0.0015","3.8344","0.0002","10.6476","0.0005","90","","90","","90","","1217.94","0.11","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","4'-Chloro-2,2':6',2''-terpyridine","","- C15 H10 Cl N3 -","- C15 H10 Cl N3 -","- C60 H40 Cl4 N12 -","4","1","CF2025","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","4'-Chloro-2,2':6',2''-terpyridine","Acta Crystallographica Section E","2006","62","6","o2497","o2498","10.1107/S1600536806019180","","","0.71073","MoKα","","0.0468","0.03","","0.0368","0.032","0.032","","","","","","0.942","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209120","13.3505","0.0012","10.6953","0.001","8.3412","0.0008","90","","92.879","0.001","90","","1189.52","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9,10-Bis(dichloroethylaminomethyl)anthracene","","- C24 H28 Cl4 N2 -","- C24 H28 Cl4 N2 -","- C48 H56 Cl8 N4 -","2","0.5","CF2026","Li-Na Yin; Qing-Xiang Liu; Xiu-Mei Wu; Feng-Jin Cheng; Jian-Hua Guo","9,10-Bis(dichloroethylaminomethyl)anthracene","Acta Crystallographica Section E","2006","62","6","o2510","o2511","10.1107/S1600536806019167","","","0.71073","MoKα","","0.0427","0.0322","","","0.0844","0.0888","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209121","11.557","0.002","12.611","0.003","11.858","0.002","90","","105.8","0.03","90","","1663","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-tert-butylphenyl 4-methylbenzenesulfonate","","- C17 H20 O3 S -","- C17 H20 O3 S -","- C68 H80 O12 S4 -","4","1","CI2029","Si-Qian wang; Zhen-Feng Zhang; Gui-Rong Qu; Ying-Yan Jiang","4-<i>tert</i>-Butylphenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2006","62","6","o2193","o2194","10.1107/S160053680601600X","","","0.71073","MoKα","","0.0953","0.0596","","","0.1625","0.1816","","","","","","0.999","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209122","7.504","0.001","8.84","0.001","10.71","0.001","76.288","0.003","74.84","0.003","70.054","0.003","635.98","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Phosphorous acid 2-(2-pyridylamino)pyridinium chloride","2-(2-Pyridylamino)pyridinium chloride phosphorous acid","","- C10 H13 Cl N3 O3 P -","- C10 H13 Cl N3 O3 P -","- C20 H26 Cl2 N6 O6 P2 -","2","1","CI2031","Beckmann, Jens; Duthie, Andrew; Fesser, Petra","2-(2-Pyridylamino)pyridinium chloride phosphorous acid: one-dimensional hydrogen-bonded and π‒π stacked supramolecular chains","Acta Crystallographica Section E","2006","62","6","o2151","o2152","10.1107/S1600536806015510","","","0.71073","MoKα","","0.0424","0.0387","","","0.1072","0.11","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209123","6.7349","0.0013","22.903","0.005","11.626","0.002","90","","99.29","0.03","90","","1769.8","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Carbonyliodo{[1-(2-pyridylmethyl)cyclohexylmethyl]-η^5^-cyclopentadienyl- κN}ruthenium(II)","","- C18 H20 I N O Ru -","- C18 H20 I N O Ru -","- C72 H80 I4 N4 O4 Ru4 -","4","1","CI2034","Han, Ruo-Chen; Zhou, Li-Na; Wang, Jing-Kang","Carbonyliodo{[1-(2-pyridylmethyl)cyclohexylmethyl]-η^5^-cyclopentadienyl-κ<i>N</i>}ruthenium(II)","Acta Crystallographica Section E","2006","62","6","m1287","m1288","10.1107/S1600536806014462","","","0.71073","MoKα","","0.0436","0.036","","","0.1134","0.1188","","","","","","1.129","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209124","6.155","0.001","6.828","0.001","21.099","0.003","90","","90","","90","","886.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-valinium chloride monohydrate","","- C5 H14 Cl N O3 -","- C5 H14 Cl N O3 -","- C20 H56 Cl4 N4 O12 -","4","1","CI2050","Mei-Chao Li; Chen-Shui Lin; Ya-Qin Li; Lin He; Zhi-Min Jin","Redetermination of <small>L</small>-valinium chloride monohydrate","Acta Crystallographica Section E","2006","62","6","o2235","o2236","10.1107/S1600536806016497","","","0.71073","MoKα","","0.0433","0.0355","","","0.0809","0.0832","","","","","","0.973","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209125","8.0046","0.0004","17.4763","0.0009","19.6133","0.001","90","","90","","90","","2743.7","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","16-[4-(3-Chloropropoxy)-3-methoxybenzylidene]-4-androstene-3,17-dione","","- C30 H37 Cl O4 -","- C30 H37 Cl O4 -","- C120 H148 Cl4 O16 -","4","1","CI2057","Sundar, T. V.; Parthasarathi, V.; Bansal, Ranju; Ravikumar, K.; Sridhar, B.","16-[4-(3-Chloropropoxy)-3-methoxybenzylidene]-4-androstene-3,17-dione","Acta Crystallographica Section E","2006","62","6","o2190","o2192","10.1107/S1600536806015133","","","0.71073","MoKα","","0.0822","0.0558","","","0.1354","0.1533","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2209126","6.733","0.0006","18.4906","0.0013","12.3576","0.0012","90","","100.162","0.008","90","","1514.4","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-Pyridine-2,6-diylbis[4-ethyl-2,4-dihydro-1,2,4-triazole-3(2H)-thione]","","- C13 H15 N7 S2 -","- C13 H15 N7 S2 -","- C52 H60 N28 S8 -","4","1","CI2060","Demir, Sibel; Dinçer, Muharrem; Çetin, Ahmet; Dayan, Osman; Cansız, Ahmet","5,5'-Pyridine-2,6-diylbis[4-ethyl-2,4-dihydro-1,2,4-triazole-3(2<i>H</i>)-thione]","Acta Crystallographica Section E","2006","62","6","o2198","o2199","10.1107/S1600536806015984","","","0.71073","MoKα","","0.0908","0.0554","","","0.1474","0.1627","","","","","","0.975","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209127","7.166","0.002","19.295","0.004","12.544","0.002","90","","98.186","0.003","90","","1716.8","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methanol[4-nitro-2-(2-pyridylmethyliminomethyl)phenolato]copper(II) perchlorate","","- C14 H14 Cl Cu N3 O8 -","- C14 H14 Cl Cu N3 O8 -","- C56 H56 Cl4 Cu4 N12 O32 -","4","1","CI2062","You, Zhong-Lu","Methanol[4-nitro-2-(2-pyridylmethyliminomethyl)phenolato]copper(II) perchlorate","Acta Crystallographica Section E","2006","62","6","m1207","m1209","10.1107/S1600536806016175","","","0.71073","MoKα","","0.1266","0.087","","","0.1455","0.1602","","","","","","1.138","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209128","19.552","0.002","11.859","0.001","14.658","0.002","90","","106.488","0.001","90","","3259","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aqua[2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitro-phenolato]copper(II) perchlorate","","- C11 H16 Cl Cu N3 O9 -","- C11 H16 Cl Cu N3 O9 -","- C88 H128 Cl8 Cu8 N24 O72 -","8","1","CI2063","You, Zhong-Lu","Aqua{2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolato}copper(II) perchlorate","Acta Crystallographica Section E","2006","62","6","m1216","m1218","10.1107/S1600536806016205","","","0.71073","MoKα","","0.0897","0.078","","","0.1948","0.2023","","","","","","1.155","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209129","7.9967","0.0006","10.6591","0.0008","14.5696","0.001","90","","90","","90","","1241.88","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R,4S,5S)-1,2,4,8,8-pentamethyl-3-thiabicyclo[3.2.1]octane 3,3-dioxide","","- C12 H22 O2 S -","- C12 H22 O2 S -","- C48 H88 O8 S4 -","4","1","CS2003","Xin-Liang Li; Yuan Gui; Kun Huang; Yi-Zhi Li; Zhi-Zhen Huang","(1<i>R</i>,2<i>R</i>,4<i>S</i>,5<i>S</i>)-1,2,4,8,8-Pentamethyl-3-thiabicyclo[3.2.1]octane 3,3-dioxide","Acta Crystallographica Section E","2006","62","6","o2411","o2412","10.1107/S1600536806016655","","","0.71073","MoKα","","0.043","0.0364","","","0.0835","0.0869","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209130","10.8858","0.0013","18.969","0.002","12.1338","0.0012","90","","111.941","0.007","90","","2324.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[tri-μ~3~-acetylacetonato-pytidinetrisodium(I)]","","- C20 H26 N Na3 O6 -","- C20 H26 N Na3 O6 -","- C80 H104 N4 Na12 O24 -","4","1","CS2004","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Poly[μ~4~-acetylacetonato-di-μ~3~-acetylacetonato-pyridinetrisodium(I)]","Acta Crystallographica Section E","2006","62","6","m1250","m1251","10.1107/S1600536806016680","","","0.71073","MoKα","","0.0837","0.0497","","","0.1089","0.1255","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209131","8.419","0.002","9.382","0.002","12.366","0.004","90","","107.46","0.02","90","","931.8","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-1-(2,4-Dinitrophenyl)-2-(2-isopropyl-5-methyl-1-nitrocyclohexyl)diazene","","- C16 H21 N5 O6 -","- C16 H21 N5 O6 -","- C32 H42 N10 O12 -","2","1","CV2033","Li-Fang Zhao","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-(2-isopropyl-5-methyl-1-nitrocyclohexyl)diazene","Acta Crystallographica Section E","2006","62","6","o2160","o2162","10.1107/S1600536806015078","","","0.71073","MoKα","","0.0668","0.0382","","","0.079","0.0872","","","","","","0.879","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209132","7.9822","0.0004","8.883","0.0005","11.1075","0.0006","86.689","0.003","75.078","0.003","73.196","0.003","728.41","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","Chlorothiazide dimethylformamide solvate","6-Chloro-4H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide‒N,N-dimethylformamide (1/1)","","- C10 H13 Cl N4 O5 S2 -","- C10 H13 Cl N4 O5 S2 -","- C20 H26 Cl2 N8 O10 S4 -","2","1","CV2034","Fernandes, Philippe; Florence, Alastair J.; Shankland, Kenneth; Shankland, Norman; Johnston, Andrea","Powder study of chlorothiazide <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2006","62","6","o2216","o2218","10.1107/S1600536806015674","","","1.54056","CuKα~1~","","","","","","","","","","1.41","","","","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209133","6.7953","0.001","7.1236","0.0011","12.2249","0.0019","78.692","0.003","77.817","0.003","64.214","0.002","517.18","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[[tetraaquacopper(II)]-μ-sulfato-κ^2^O:O'- [bis(malonamide-κ^2^O,O')copper(II)]-μ-sulfato-κ^2^O:O'] dihydrate]","","- C6 H24 Cu2 N4 O18 S2 -","- C6 H24 Cu2 N4 O18 S2 -","- C6 H24 Cu2 N4 O18 S2 -","1","0.5","CV2036","Mikhail A. Ershov; Vikenty G. Skvortsov; Yulia Yu. Pilchikova; Kyrill Yu. Suponitsky","<i>catena</i>-Poly[[[tetraaquacopper(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'-[bis(malonamide-κ^2^<i>O</i>,<i>O</i>')copper(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'] dihydrate]","Acta Crystallographica Section E","2006","62","6","m1181","m1182","10.1107/S1600536806014681","","","0.71073","MoKα","","0.0423","0.0393","","","0.0958","0.0975","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209134","6.934","0.0006","8.3979","0.0008","13.8832","0.0013","89.343","0.002","84.071","0.002","70.321","0.002","756.91","0.12","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N3 S2 -","- C13 H19 N3 S2 -","- C26 H38 N6 S4 -","2","1","CV2040","Yu, Jian Hua; Zhao, Xiao Lu; Li, Sheng Li; Fun, Hoong-Kun; Teh, Jeannie Bee-Jan","<i>S</i>-Methyl 3-[4-(diethylamino)benzylidene]dithiocarbazate","Acta Crystallographica Section E","2006","62","6","o2387","o2388","10.1107/S160053680601751X","","","0.71073","MoKα","","0.1003","0.0671","","","0.1424","0.1588","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209135","31.969","0.002","11.264","0.009","7.863","0.006","90","","96.071","0.002","90","","2816","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[(5-Fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]acetic acid‒4,4'-bipyridine (2/1)","","- C26 H24 F2 N8 O10 -","- C26 H24 F2 N8 O10 -","- C104 H96 F8 N32 O40 -","4","0.5","CV2042","Jing Xiong; Mao-Lin Hu; Yun-Jun Lan; Shu-Fen Zhang","[(5-Fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]acetic acid‒4,4'-bipyridine (2/1)","Acta Crystallographica Section E","2006","62","6","o2371","o2373","10.1107/S160053680601614X","","","0.71073","MoKα","","0.0913","0.0831","","","0.2152","0.2262","","","","","","1.309","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2209136","12.402","0.002","13.479","0.003","19.44","0.004","90","","90","","90","","3249.7","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-Methyl 2-(4,5-dibromo-1H-pyrrole-2-carboxamido)-4-methylpentanoate","","- C12 H16 Br2 N2 O3 -","- C12 H16 Br2 N2 O3 -","- C96 H128 Br16 N16 O24 -","8","2","CV2043","Li-Hong Li; Xiang-Chao Zeng; Po-Run Liu","(<i>S</i>)-Methyl 2-(4,5-dibromo-1<i>H</i>-pyrrole-2-carboxamido)-4-methylpentanoate","Acta Crystallographica Section E","2006","62","6","o2106","o2107","10.1107/S1600536806015091","","","0.71073","MoKα","","0.1788","0.0545","","","0.1171","0.1728","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209137","8.806","0.002","10.512","0.003","10.927","0.003","96.627","0.004","113.043","0.004","92.835","0.004","919.6","0.4","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","(2,2'-Bipyridine)(4-bromo-2-formylphenolato)copper(II) perchlorate","","- C17 H12 Br Cl Cu N2 O6 -","- C17 H12 Br Cl Cu N2 O6 -","- C34 H24 Br2 Cl2 Cu2 N4 O12 -","2","1","CV2044","Hong-Yan Wu; Yun-Feng Feng; Shu-Rong Wang; Wei-Ping Huang","(2,2'-Bipyridine)(4-bromo-2-formylphenolato)copper(II) perchlorate","Acta Crystallographica Section E","2006","62","6","m1225","m1226","10.1107/S1600536806016151","","","0.71073","MoKα","","0.1033","0.0586","","","0.1458","0.181","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209138","9.3332","0.001","16.7115","0.0019","12.3865","0.0014","90","","101.839","0.002","90","","1890.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Chloro-1-(4-chlorophenyl)-4-(2-methoxybenzoylhydrazonomethyl)- 3-methyl-1H-pyrazole","","- C19 H16 Cl2 N4 O2 -","- C19 H16 Cl2 N4 O2 -","- C76 H64 Cl8 N16 O8 -","4","1","CV2045","Li-Rong Wen; Li-Na Zhai; Peng Liu; Ming Li","5-Chloro-1-(4-chlorophenyl)-4-(2-methoxybenzoylhydrazonomethyl)-3-methyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2006","62","6","o2361","o2362","10.1107/S1600536806017922","","","0.71073","MoKα","","0.0533","0.0351","","","0.0825","0.0908","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209139","7.2164","0.0014","28.246","0.006","10.378","0.002","90","","90.37","0.03","90","","2115.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(3-Chlorophenyl)-1,5-bis(4-nitrophenyl)pentane-1,5-dione","","- C23 H17 Cl N2 O6 -","- C23 H17 Cl N2 O6 -","- C92 H68 Cl4 N8 O24 -","4","1","CV2047","Qiu, Xiao-Yang; Yang, Song; Liu, Wei-Sheng; Zhu, Hai-Liang","3-(3-Chlorophenyl)-1,5-bis(4-nitrophenyl)pentane-1,5-dione","Acta Crystallographica Section E","2006","62","6","o2533","o2534","10.1107/S1600536806019477","","","0.71073","MoKα","","0.1666","0.042","","","0.1017","0.1233","","","","","","0.702","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209140","9.208","0.005","9.481","0.005","11.599","0.005","110.177","0.005","107.723","0.005","98.921","0.005","866.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","trans-Dichlorobis(triphenylphosphine)palladium(II) dichloroethane solvate","","- C38 H34 Cl4 P2 Pd -","- C38 H34 Cl4 P2 Pd -","- C38 H34 Cl4 P2 Pd -","1","0.5","CV2048","Steyl, Gideon","<i>trans</i>-Dichlorobis(triphenylphosphine)palladium(II) dichloroethane solvate","Acta Crystallographica Section E","2006","62","6","m1324","m1325","10.1107/S1600536806017521","","","0.71073","MoKα","","0.0422","0.039","","","0.0964","0.0985","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209141","5.715","0.003","15.848","0.008","21.386","0.011","90","","90","","90","","1937","1.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,5-Bis(4-methylphenyl)-3-phenylpentane-1,5-dione","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","1","CV2049","Lei Huang; Xian-Qiang Huang; Dong-Yan Xu; Jian-Min Dou; Da-Cheng Li","1,5-Bis(4-methylphenyl)-3-phenylpentane-1,5-dione","Acta Crystallographica Section E","2006","62","6","o2425","o2426","10.1107/S160053680601823X","","","0.71073","MoKα","","0.0995","0.0423","","","0.0981","0.1256","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209142","3.8809","0.0002","10.6603","0.0004","26.55","0.0011","90","","94.867","0.003","90","","1094.45","0.08","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-Furyl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C52 H36 N4 O16 -","4","1","CV2051","P. S. Patil; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","3-(2-Furyl)-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","6","o2397","o2398","10.1107/S1600536806017946","","","0.71073","MoKα","","0.1051","0.07","","","0.175","0.198","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209143","7.1411","0.0002","31.4292","0.0008","5.7876","0.0002","90","","91.275","0.002","90","","1298.64","0.07","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-Bromophenyl)-1-(4-bromophenyl)prop-2-en-1-one","","- C15 H10 Br2 O -","- C15 H10 Br2 O -","- C60 H40 Br8 O4 -","4","1","CV2052","Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","3-(3-Bromophenyl)-1-(4-bromophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","6","o2399","o2400","10.1107/S1600536806017983","","","0.71073","MoKα","","0.0573","0.0469","","","0.1049","0.1089","","","","","","1.201","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209144","4.9431","0.0001","7.522","0.0001","27.2779","0.0005","90","","90","","90","","1014.25","0.03","100","0.1","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Modiolide A","5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","CV2053","Hoong-Kun Fun; Weraphol Bhilabutra; Pittaya Tuntiwachwuttikul; Suchada Chantrapromma","5,8-Dihydroxy-10-methyl-5,8,9,10-tetrahydro-2<i>H</i>-oxecin-2-one","Acta Crystallographica Section E","2006","62","6","o2478","o2480","10.1107/S1600536806018368","","","0.71073","MoKα","","0.0378","0.0344","","","0.0983","0.1118","","","","","","1.249","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209145","17.579","0.004","14.419","0.003","8.732","0.002","90","","100.985","0.004","90","","2172.8","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[2-(Diphenylphosphino)phenyliminomethyl]-N,N-dimethylaniline","","- C27 H25 N2 P -","- C27 H25 N2 P -","- C108 H100 N8 P4 -","4","1","CV2054","Yang, Kai-Bin; Lin, Li-Rong; Huang, Rong-Bin","4-[2-(Diphenylphosphino)phenyliminomethyl]-<i>N</i>,<i>N</i>-dimethylaniline, a new Schiff base containing triphenylphosphine","Acta Crystallographica Section E","2006","62","6","o2440","o2441","10.1107/S160053680601871X","","","0.71073","MoKα","","0.0628","0.0557","","","0.1359","0.1406","","","","","","1.112","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209146","6.7208","0.0014","9.488","0.002","10.139","0.002","85.994","0.004","89.221","0.004","84.457","0.004","641.9","0.2","294","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-Hexylidene-3-methylsuccinic acid","","- C11 H18 O4 -","- C11 H18 O4 -","- C22 H36 O8 -","2","1","CV2055","Xiao-Hong Liu; Fang Xu; Yong-Cheng Lin; Wing-Lai Chan; Zhong-Yuan Zhou","2-Hexylidene-3-methylsuccinic acid","Acta Crystallographica Section E","2006","62","6","o2419","o2420","10.1107/S1600536806018253","","","0.71073","MoKα","","0.1102","0.0656","","","0.185","0.2243","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209147","11.617","0.002","14.385","0.003","14.388","0.003","84.413","0.012","79.423","0.011","80.166","0.011","2323.4","0.8","120","2","","","","","","","","","","7","P -1","-P 1","2","","Bis(2,2'-bipyridine)(3,8-diethynyl-1,10-phenanthroline)ruthenium(II) bis(hexafluorophosphate) diethyl ether disolvate","","- C44 H44 F12 N6 O2 P2 Ru -","- C44 H44 F12 N6 O2 P2 Ru -","- C88 H88 F24 N12 O4 P4 Ru2 -","2","1","CV2056","Michito Shiotsuka; Hayato Ogasawara; Mitsuhiro Ito; Satoru Onaka","Bis(2,2'-bipyridine)(3,8-diethynyl-1,10-phenanthroline)ruthenium(II) bis(hexafluorophosphate) diethyl ether disolvate","Acta Crystallographica Section E","2006","62","6","m1410","m1412","10.1107/S1600536806019179","","","0.71073","MoKα","","0.124","0.0989","","","0.1774","0.1887","","","","","","1.194","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2209148","9.8595","0.0009","14.648","0.0014","18.3738","0.0017","90","","90","","90","","2653.6","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-pent-4-enylglycine-Ni-(R)-BPB","[N-({(R)-2-[(N-Benzylprolyl)amino]phenyl}phenylmethylene)-2(S)- (pent-4-enyl)glycinato]nickel(II)","","- C32 H33 N3 Ni O3 -","- C32 H33 N3 Ni O3 -","- C128 H132 N12 Ni4 O12 -","4","1","DN2019","Carducci, Michael D.; Gu, Xuyuan; Cole, Jenine R.; Hruby, Victor J.","[<i>N</i>-({(<i>R</i>)-2-[(<i>N</i>-Benzylprolyl)amino]phenyl}phenylmethylene)-2(<i>S</i>)-(pent-4-enyl)glycinato]nickel(II)","Acta Crystallographica Section E","2006","62","6","m1219","m1220","10.1107/S160053680601244X","","","0.71073","MoKα","","0.0668","0.0479","","","0.0777","0.0824","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209149","7.5068","0.0004","9.8272","0.0005","10.7311","0.0006","85.639","0.003","73.896","0.003","80.246","0.003","749.23","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","hydrochlrothiazide DMSO solvate","Hydrochlorothiazide dimethyl sulfoxide solvate","","- C9 H14 Cl N3 O5 S3 -","- C9 H14 Cl N3 O5 S3 -","- C18 H28 Cl2 N6 O10 S6 -","2","1","DN2020","Johnston, Andrea; Florence, Alastair J.; Kennedy, Alan R.","Hydrochlorothiazide dimethyl sulfoxide solvate","Acta Crystallographica Section E","2006","62","6","o2288","o2290","10.1107/S1600536806016734","","","0.71073","MoKα","","0.0541","0.0402","","","0.1015","0.1104","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209150","12.175","0.002","16.548","0.003","17.111","0.003","90","","90","","90","","3447.4","1","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-2-Phenyl-3-(2-phenylindolizin-3-yl)acrylonitrile","","- C23 H16 N2 -","- C23 H16 N2 -","- C184 H128 N16 -","8","1","DN2029","Qian, Bao-Hua; Liu, Wei-Wei; Lu, Lu-De; Hu, Hong-Weng","(<i>E</i>)-2-Phenyl-3-(2-phenylindolizin-3-yl)acrylonitrile","Acta Crystallographica Section E","2006","62","6","o2363","o2364","10.1107/S1600536806017466","","","0.71073","MoKα","","0.152","0.0405","","","0.0863","0.1221","","","","","","0.967","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209151","8.375","0.008","10.826","0.011","15.321","0.014","70.8","0.04","75.25","0.05","79.05","0.05","1260","2","118","2","118","2","","","","","","","","3","P 1","P 1","1","Mellein","(R)-(-)-8-Hydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one","","- C10 H10 O3 -","- C10 H10 O3 -","- C60 H60 O18 -","6","6","DN2030","Efdi, Mai; Koketsu, Mamoru; Ebihara, Masahiro; Ishihara, Hideharu","(<i>R</i>)-(‒)-8-Hydroxy-3-methyl-3,4-dihydro-1<i>H</i>-2-benzopyran-1-one","Acta Crystallographica Section E","2006","62","6","o2135","o2137","10.1107/S1600536806015418","","","0.71073","MoKα","","0.1203","0.098","","","0.1932","0.2105","","","","","","1.113","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209152","7.875","0.0001","12.5588","0.0001","22.021","0.0001","90","","93.645","0.001","90","","2173.48","0.03","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1H-Benzimidazol-2-ylsulfanyl)butanoic acid","","- C11 H13 N2 O2 S -","- C11 H12 N2 O2 S -","- C88 H96 N16 O16 S8 -","8","2","DN2032","Langer, Vratislav; Mičová, Ju̇lia; Steiner, Bohumil; Koóš, Miroslav","2-(1<i>H</i>-Benzimidazol-2-ylsulfanyl)butanoic acid","Acta Crystallographica Section E","2006","62","6","o2138","o2140","10.1107/S1600536806015121","","","0.71073","MoKα","","0.0666","0.0433","","","0.1076","0.1223","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209153","7.7704","0.0018","7.8397","0.0009","12.0141","0.0015","90","","100.23","0.014","90","","720.2","0.2","173","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(3,5-Dimethoxybenzylidene)-2-(methylsulfanyl)aniline","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C32 H34 N2 O4 S2 -","2","1","DN2033","Hamaker, Christopher G.; Halbach, Dominic P.","<i>N</i>-(3,5-Dimethoxybenzylidene)-2-(methylsulfanyl)aniline","Acta Crystallographica Section E","2006","62","6","o2149","o2150","10.1107/S1600536806015789","","","0.71073","MoKα","","","0.0317","","","","0.086","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209154","22.8485","0.0011","10.7287","0.0009","17.3888","0.0009","90","","130.093","0.001","90","","3260.9","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3S,4S,5S,10S,13R,14R,17R)-4α,14α-Dimethyl-3β-tosyl-5α-ergost-8- ene-7,11,24-trione","","- C36 H50 O6 S -","- C36 H50 O6 S -","- C144 H200 O24 S4 -","4","1","DN3006","Mazoir, Noureddine; Berraho, Moha; Fraisse, Bernard; Benharref, Ahmed; Bouhmaida, Nouzha","(3<i>S</i>,4<i>S</i>,5<i>S</i>,10<i>S</i>,13<i>R</i>,14<i>R</i>,17<i>R</i>)-4α,14α-Dimethyl-3β-tosyl-5α-ergost-8-ene-7,11,24-trione at 100 K","Acta Crystallographica Section E","2006","62","6","o2153","o2155","10.1107/S1600536806015340","","","0.71073","MoKα","","0.0783","0.0588","","","0.1456","0.1569","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2209155","8.258","0.002","8.483","0.002","10.85","0.005","72.274","0.003","71.128","0.003","69.733","0.002","658.6","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","(1R,3S,4S,6R)-1,2,3,4,5,6-hexabromo-1,2,3,4,5,6-hexahydropentalene‒ (1R,2R,4S,5S)-1,2,3,4,5,6-hexabromo-1,2,4,5-tetrahydropentalene (1/1)","","- C16 H10 Br12 -","- C16 H10 Br12 -","- C16 H10 Br12 -","1","0.5","ER2002","Hökelek, Tuncer; Günbaş, Duygu D.; Algı, Fatih; Balcı, Metin","A 1:1 cocrystal of (1<i>R</i>,3<i>S</i>,4<i>S</i>,6<i>R</i>)-1,2,3,4,5,6-hexabromo-1,2,3,4,5,6-hexahydropentalene and (1<i>R</i>,2<i>R</i>,4<i>S</i>,5<i>S</i>)-1,2,3,4,5,6-hexabromo-1,2,4,5-tetrahydropentalene","Acta Crystallographica Section E","2006","62","6","o2466","o2468","10.1107/S1600536806012645","","","1.54184","CuKα","","0.1307","0.1233","","","0.291","0.299","","","","","","1.361","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209156","9.072","0.0006","10.359","0.002","10.92","0.001","80.94","0.01","73.078","0.007","76.924","0.008","951.7","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(4-methoxyphenyl)platinum(II)","","- C22 H26 O2 Pt -","- C22 H26 O2 Pt -","- C44 H52 O4 Pt2 -","2","1","EZ2003","Roviello, Giuseppina; Ruffo, Francesco; Tuzi, Angela","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(4-methoxyphenyl)platinum(II)","Acta Crystallographica Section E","2006","62","6","m1416","m1418","10.1107/S1600536806019441","","","0.71073","MoKα","","0.033","0.024","","","0.052","0.055","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209157","15.39","0.005","15.935","0.005","18.839","0.005","90","","109.328","0.005","90","","4360","2","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[(2-phenyl-1<i>H</i>-1,3,7,8,- tetraazacyclopenta[<i>l</i>]phenanthrene)manganese(II)]- μ-benzene-1,3-dicarboxylato]","","- C27 H16 Mn N4 O4 -","- C27 H16 Mn N4 O4 -","- C216 H128 Mn8 N32 O32 -","8","1","EZ2004","Guang-Bo Che; Chun-Bo Liu","A new Mn^II^ coordination polymer with a double-chain structure","Acta Crystallographica Section E","2006","62","6","m1453","m1455","10.1107/S1600536806019647","","","0.71073","MoKα","","0.066","0.044","","","0.109","0.118","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209158","6.6012","0.001","7.2585","0.0011","9.8539","0.0016","90","","92.228","0.003","90","","471.79","0.13","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Potassium trans-diaquabis[oxalato(2-)-κ^2^O,O']chromate(III)","","- C4 H4 Cr K O10 -","- C4 H4 Cr K O10 -","- C8 H8 Cr2 K2 O20 -","2","0.25","FI2001","Belombe M., Michel; Nenwa, Justin; Fokwa T., Boniface P.; Dronskowski, Richard","Potassium <i>trans</i>-diaquabis[oxalato(2‒)-κ^2^<i>O</i>,<i>O</i>']chromate(III)","Acta Crystallographica Section E","2006","62","6","m1400","m1402","10.1107/S1600536806018344","","","0.71073","MoKα","","0.044","0.044","","","0.136","0.137","","","","","","1.15","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209159","9.3282","0.0002","9.3282","0.0002","9.3282","0.0002","113.456","0.0002","113.456","0.0002","113.456","0.0002","512.43","0.019","293","2","293","2","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Ge O3 Pb -","- Ge O3 Pb -","- Ge6 O18 Pb6 -","6","1","FI2002","Yan Xu; Liying Cheng; Guangpeng Zhou; Yanli Wang","Lead germanium oxide","Acta Crystallographica Section E","2006","62","6","i135","i137","10.1107/S1600536806017697","","","0.71073","MoKα","","0.057","0.05","","","0.158","0.164","","","","","","1.21","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209160","13.075","0.004","9.682","0.004","11.888","0.004","90","","99.134","0.018","90","","1485.8","0.9","296","1","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 F6 N3 O2 P -","- C10 H16 F6 N3 O2 P -","- C40 H64 F24 N12 O8 P4 -","4","1","FL2020","Wen-Long Yang; Shu-Ping Luo; Dan-Qian Xu","3-Methyl-1-(morpholinocarbonylmethyl)imidazolium hexafluorophosphate","Acta Crystallographica Section E","2006","62","6","o2391","o2392","10.1107/S1600536806017752","","","0.71075","MoKα","","","0.0628","","","","0.1515","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209161","3.9523","0.0004","23.762","0.003","14.897","0.0014","90","","93.887","0.008","90","","1395.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(3-Chlorobenzoyl)-3-(3-chlorophenyl)thiourea","","- C14 H10 Cl2 N2 O S -","- C14 H10 Cl2 N2 O S -","- C56 H40 Cl8 N8 O4 S4 -","4","1","FL2022","Khawar Rauf, M; Badshah, Amin; Bolte, Michael","1-(3-Chlorobenzoyl)-3-(3-chlorophenyl)thiourea","Acta Crystallographica Section E","2006","62","6","o2221","o2222","10.1107/S1600536806016230","","","0.71073","MoKα","","0.0584","0.0402","","","0.0873","0.0932","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209162","14.098","0.005","16.575","0.008","13.695","0.005","90","","114.05","0.02","90","","2922","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Methyl-N-[1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2- yl)propyl]benzenesulfonamide","","- C12 H15 N3 O3 S2 -","- C12 H15 N3 O3 S2 -","- C96 H120 N24 O24 S16 -","8","1","FL2023","Zareef, Muhammad; Iqbal, Rashid; Zaidi, Javid H.; Arfan, Muhammad; Parvez, Masood","4-Methyl-<i>N</i>-[1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide","Acta Crystallographica Section E","2006","62","6","o2481","o2483","10.1107/S1600536806018265","","","0.71073","MoKα","","0.071","0.048","","","0.104","0.117","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209163","8.217","0.002","8.4391","0.0015","30.674","0.005","93.15","0.01","90.342","0.003","118.958","0.003","1857","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-5-(3,5-Dimethylphenoxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde O-(2-chloropyrimidin-4-yl)oxime","","- C18 H18 Cl N5 O2 -","- C18 H18 Cl N5 O2 -","- C72 H72 Cl4 N20 O8 -","4","2","FL2024","Xiao-Mao Zou; Da-yong Lin; Jiang Pei; Chao-Qiang Wang; Hua-Zheng Yang","(<i>E</i>)-5-(3,5-Dimethylphenoxy)-1,3-dimethyl-1<i>H</i>-pyrazole-4-carbaldehyde <i>O</i>-(2-chloropyrimidin-4-yl)oxime","Acta Crystallographica Section E","2006","62","6","o2471","o2472","10.1107/S1600536806018629","","","0.71073","MoKα","","0.0885","0.0501","","","0.1266","0.1461","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209164","9.107","0.0017","14.681","0.003","14.121","0.003","90","0.017","99.32","0.016","90","0.015","1863.1","0.7","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-[4,5-Bis(benzyloxy)-2-methylphenyl]ethanone","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","FL2027","Chun-Nian Xia; Guang-Xiang Zhong; Wei-Xiao Hu; Wei Zhou; Guo-Hong Wang","1-[4,5-Bis(benzyloxy)-2-methylphenyl]ethanone","Acta Crystallographica Section E","2006","62","6","o2393","o2394","10.1107/S1600536806017764","","","0.71073","MoKα","","0.2123","0.0608","","","0.175","0.2426","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209165","6.0306","0.0002","10.9269","0.0005","22.5309","0.0008","90","","95.005","0.003","90","","1479.03","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,3-diphenylquinoxaline","2,3-diphenylquinoxaline","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","FL2028","Rajnikant; Dinesh; Madhukar Baburao Deshmukh; Sunil Jadhav; Pryinka Kanwal","2,3-Diphenylquinoxaline","Acta Crystallographica Section E","2006","62","6","o2356","o2357","10.1107/S1600536806017776","","","0.71073","MoKα","","0.0599","0.0437","","","0.107","0.1117","","","","","","1.125","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209166","10.3592","0.0009","11.9156","0.001","13.4905","0.0011","90","","92.637","0.001","90","","1663.5","0.2","306","2","306","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pentaerythritol trinitrate succinate","","- C10 H15 N3 O13 -","- C10 H15 N3 O13 -","- C40 H60 N12 O52 -","4","1","FL2029","Deschamps, Jeffrey R.; Charles, Paul T.; Kusterbeck, Anne W.","Pentaerythritol trinitrate succinate: a hapten for pentaerythritol tetranitrate","Acta Crystallographica Section E","2006","62","6","o2446","o2448","10.1107/S1600536806018411","","","0.71073","MoKα","","0.0595","0.0425","","","0.1225","0.1316","","","","","","1.253","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209167","10.5026","0.0015","11.4926","0.0017","13.1326","0.0019","97.173","0.003","98.157","0.002","104.125","0.002","1500.5","0.4","446","2","173","2","","","","","","","","5","P -1","-P 1","2","","chalcone‒ 2-bromo-3-hydroxy-1-(4-methylphenyl)-3-[4-(methylthio)phenyl]propan-1-one (1:1) co-crystal","","- C34 H33 Br O3 S2 -","- C34 H33 Br O3 S2 -","- C68 H66 Br2 O6 S4 -","2","1","GH2001","Ray J. Butcher; Yathirajan, H. S.; Mithun, A.; Narayana, B.; Sarojini, B. K.","Chalcone and its hydroxobromo derivative: a 1:1 mixed crystal containing chalcone and 2-bromo-3-hydroxy-1-(4-methylphenyl)-3-[4-(methylsulfanyl)phenyl]propan-1-one","Acta Crystallographica Section E","2006","62","6","o2350","o2352","10.1107/S1600536806017508","","","0.71073","MoKα","","0.0519","0.0395","","","0.1106","0.1148","","","","","","1.058","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209168","11.311","0.001","6.019","0.002","22.003","0.004","90","","98.188","0.01","90","","1482.7","0.6","298","1","298","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1-phenylethyl phenyldithioacetate","phenyl(phenylethylthio)methane-1-thione","","- C16 H16 S2 -","- C16 H16 S2 -","- C64 H64 S8 -","4","1","GH6036","Jing Gao; Yingwu Luo; Bogeng Li","1-Phenylethyl phenyldithioacetate","Acta Crystallographica Section E","2006","62","6","o2395","o2396","10.1107/S1600536806017624","","","0.71069","MoKα","","0.0685","0.0443","","","0.1192","0.1432","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209169","10.4562","0.0003","10.5242","0.0003","10.5842","0.0003","60.96","0.001","70.15","0.001","89.446","0.002","940.59","0.05","93","2","93","2","","","","","","","","3","P -1","-P 1","2","phencyclone","1,3-Diphenyl-2H-cyclopenta[l]phenanthren-2-one","","- C29 H18 O -","- C29 H18 O -","- C58 H36 O2 -","2","1","GK2001","Ruffani, Alexander; Schwarzer, Anke; Weber, Edwin","1,3-Diphenyl-2<i>H</i>-cyclopenta[<i>l</i>]phenanthren-2-one","Acta Crystallographica Section E","2006","62","6","o2281","o2282","10.1107/S1600536806016850","","","0.71073","MoKα","","0.0345","0.0317","","","0.0865","0.0895","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209170","7.4677","0.0007","12.9605","0.0012","14.1895","0.0013","65.176","0.001","74.752","0.002","78.103","0.002","1195.35","0.19","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","Pyridinium saccharinate","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","2","GK2004","Wang, Zi-Liang; Li, Ming-Xue; Wei, Lin-Heng; Wang, Jing-Ping","Pyridinium saccharinate","Acta Crystallographica Section E","2006","62","6","o2274","o2275","10.1107/S1600536806016849","","","0.71073","MoKα","","0.0527","0.045","","","0.1205","0.1259","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209171","26.4265","0.0005","24.8578","0.0005","28.1714","0.0007","90","","90","","90","","18505.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","di-μ~4~-oxo-tetraμ~3~-pivalato-hexa-μ~2~-pivalato-tetrakis(pivalic acid)dimanganese(III)tetramanganese(II)","","- C70 H130 Mn6 O30 -","- C70 H130 Mn6 O30 -","- C560 H1040 Mn48 O240 -","8","1","GK2005","Poyraz, Mehmet; Sarı, Musa; Cevik, Sabri; Büyükgüngör, Orhan","Redetermination of the mixed-valence hexanuclear manganese oxide complex di-μ~4~-oxo-tetra-μ~3~-pivalato-hexa-μ~2~-pivalato-tetrakis(pivalic acid)dimanganese(III)tetramanganese(II) at 100 K","Acta Crystallographica Section E","2006","62","6","m1442","m1444","10.1107/S1600536806019155","","","0.71073","MoKα","","0.1052","0.062","","","0.1803","0.1639","","","","","","0.953","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209172","9.607","0.003","17.454","0.005","10.307","0.003","90","","93.272","0.005","90","","1725.5","0.9","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2-methylphenylamino)phenylborane","","- C20 H21 B N2 -","- C20 H21 B N2 -","- C80 H84 B4 N8 -","4","1","GK2006","Tong, Hong-Bo; Liu, Dian-Sheng; Zhou, Mei-Su","Bis(2-methylphenylamino)phenylborane","Acta Crystallographica Section E","2006","62","6","o2421","o2422","10.1107/S1600536806018174","","","0.71073","MoKα","","0.0581","0.0396","","","0.0927","0.0985","","","","","","0.924","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209173","8.8672","0.0004","8.8672","0.0004","42.287","0.002","90","","90","","90","","3324.9","0.3","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","(-)-8-phenylmenthol chloroacetate","(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl chloroacetate","","- C18 H25 Cl O2 -","- C18 H25 Cl O2 -","- C144 H200 Cl8 O16 -","8","1","GK2007","Florian Sieder; Eichinger, Karl; Mereiter, Kurt","(1<i>R</i>,2<i>S</i>,5<i>R</i>)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl chloroacetate","Acta Crystallographica Section E","2006","62","6","o2291","o2292","10.1107/S1600536806016928","","","0.71073","MoKα","","0.0337","0.033","","","0.0845","0.085","","","","","","1.098","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209174","27.526","0.002","13.5927","0.0012","14.2093","0.0013","90","","101.505","0.002","90","","5209.6","0.8","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Carbonato-κ^2^O,O')bis(1,10-phenanthroline-κ^2^N,N')cobalt(III) chloride pentahydrate","","- C50 H50 Cl2 Co2 N8 O15 -","- C50 H50 Cl2 Co2 N8 O15 -","- C200 H200 Cl8 Co8 N32 O60 -","4","0.5","HB2027","Xu-Cheng Fu; Ming-Tian Li; Cheng-Gang Wang; Xiao-Yan Wang; Xiao-Tao Deng","(Carbonato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(III) chloride pentahydrate","Acta Crystallographica Section E","2006","62","6","m1263","m1265","10.1107/S1600536806015558","","","0.71073","MoKα","","0.0718","0.0508","","","0.1184","0.1302","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2209175","10.4627","0.0016","9.8602","0.0014","13.3477","0.0019","90","","90.61","0.002","90","","1376.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(dimethylamine)copper(II)]-μ-terephthalato]","","- C12 H18 Cu N2 O4 -","- C12 H18 Cu N2 O4 -","- C48 H72 Cu4 N8 O16 -","4","1","HB2031","Jia-Lin Ren; Yun-Long Fu; Zhi-Wei Xu","Poly[[bis(dimethylamine)copper(II)]-μ-terephthalato]","Acta Crystallographica Section E","2006","62","6","m1223","m1224","10.1107/S1600536806015613","","","0.71073","MoKα","","0.0651","0.0454","","","0.1065","0.1168","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209176","8.914","0.005","9.02","0.006","9.505","0.006","109.898","0.008","101.234","0.003","101.797","0.004","673.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis[μ-1-(2-pyridylmethyl)-1H-benzotriazole]bis[nitratosilver(I)]","","- C24 H20 Ag2 N10 O6 -","- C24 H20 Ag2 N10 O6 -","- C24 H20 Ag2 N10 O6 -","1","0.5","HB2033","Wang, Jian; Ren, Qing; Huang, Mei-Hua; Chen, Yun; Liu, Ping","A triclinic polymorph of bis[μ-1-(2-pyridylmethyl)-1<i>H</i>-benzotriazole]bis[nitratosilver(I)]","Acta Crystallographica Section E","2006","62","6","m1348","m1349","10.1107/S1600536806015546","","","0.71073","MoKα","","0.0555","0.04","","","0.0785","0.0871","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209177","14.9148","0.0002","22.1842","0.0004","22.4259","0.0004","90","","90","","90","","7420.1","0.2","298","2","298","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","Bis[(E)-N'-(2-nitrobenzylidene)-2-oxidobenzohydrazide]bis(pyridine- kN)nickel(II)","","- C38 H30 N8 Ni O8 -","- C38 H30 N8 Ni O8 -","- C304 H240 N64 Ni8 O64 -","8","0.5","HB2036","Qiu, Xiao-Yang; Ma, Ji-Long; Liu, Wei-Sheng; Zhu, Hai-Liang","Bis[(<i>E</i>)-<i>N</i>'-(2-nitrobenzylidene)-2-oxidobenzohydrazide]bis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2006","62","6","m1289","m1290","10.1107/S1600536806014541","","","0.71073","MoKα","","0.0537","0.0361","","","0.0988","0.1109","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2209178","8.7109","0.0019","9.624","0.002","11.3166","0.0016","103.343","0.017","97.502","0.015","112.87","0.02","824.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-piperidine-1-dithiocarboxylato-κ^2^S:S')[bis(piperidine-1- dithiocarboxylato-κ^2^S,S')zinc(II)]","","- C24 H40 N4 S8 Zn2 -","- C24 H40 N4 S8 Zn2 -","- C24 H40 N4 S8 Zn2 -","1","0.5","HB2040","Shaheen, Farkhanda; Gieck, Christine; Badshah, Amin; Kaleem Khosa, Muhammad","Bis(μ-piperidine-1-dithiocarboxylato-κ^2^<i>S</i>:<i>S</i>')[bis(piperidine-1-dithiocarboxylato-κ^2^<i>S</i>,<i>S</i>')zinc(II)]","Acta Crystallographica Section E","2006","62","6","m1186","m1187","10.1107/S1600536806015479","","","0.71073","MoKα","","0.0703","0.0345","","","0.0703","0.0791","","","","","","0.93","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209179","6.243","0.001","6.892","0.002","9.127","0.002","90","","90","","90","","392.71","0.16","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Sodium ytterbium carbonate difluoride, NaYb(CO~3~)F~2~","","- C F2 Na O3 Yb -","- C F2 Na O3 Yb -","- C4 F8 Na4 O12 Yb4 -","4","0.5","HB2041","A. Ben Ali; M. Leblanc; V. Maisonneuve","Sodium ytterbium carbonate difluoride, NaYb(CO~3~)F~2~","Acta Crystallographica Section E","2006","62","6","i133","i134","10.1107/S1600536806015716","","","0.71073","MoKα","","0.0389","0.0298","","","0.0722","0.077","","","","","","1.125","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209180","7.145","0.0012","22.663","0.004","6.9532","0.0011","90","","90","","90","","1125.9","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(biguanido-k^2^N,N')palladium(II) dihydrate","","- C4 H16 N10 O2 Pd -","- C4 H16 N10 O2 Pd -","- C16 H64 N40 O8 Pd4 -","4","0.5","HB2042","Su, Ying-Lan; Zhu, Miao-Li","Bis(biguanido-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate","Acta Crystallographica Section E","2006","62","6","m1188","m1189","10.1107/S1600536806015327","","","0.71073","MoKα","","0.0498","0.0384","","","0.0793","0.0836","","","","","","1.114","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209181","9.9002","0.0004","12.123","0.0005","14.4012","0.0006","86.585","0.001","75.938","0.001","79.725","0.001","1649.51","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Tris(2-methyl-2-phenylpropyl)(4-nitrophenolato)tin(IV)","","- C36 H43 N O3 Sn -","- C36 H43 N O3 Sn -","- C72 H86 N2 O6 Sn2 -","2","1","HB2043","Yang, Guo-Ming; Tan, Guo-Xia; Ding, Yang-Jun; Wu, Jun","Tris(2-methyl-2-phenylpropyl)(4-nitrophenolato)tin(IV)","Acta Crystallographica Section E","2006","62","6","m1195","m1196","10.1107/S1600536806015662","","","0.71073","MoKα","","0.0252","0.0237","","","0.0613","0.0623","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209182","12.7646","0.0016","14.1998","0.0016","14.1347","0.0017","90","","100.766","0.003","90","","2516.9","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diazidodipyridinenickel(II)","","- C10 H10 N8 Ni -","- C10 H10 N8 Ni -","- C80 H80 N64 Ni8 -","8","1","HB2044","Liu, Hua-Li; Cheng, Kui; Li, Zhi-Bin","Diazidodipyridinenickel(II)","Acta Crystallographica Section E","2006","62","6","m1205","m1206","10.1107/S1600536806015686","","","0.71073","MoKα","","0.0508","0.0397","","","0.0949","0.1045","","","","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209183","13.092","0.004","13.99","0.005","18.207","0.008","112.456","0.005","104.944","0.008","90.641","0.006","2955.1","1.9","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","(μ~3~-1,3,5-Benzenetricarboxylato)tris[triphenyltin(IV)] trichloromethane solvate","","- C64 H49 Cl3 O6 Sn3 -","- C64 H49 Cl3 O6 Sn3 -","- C128 H98 Cl6 O12 Sn6 -","2","1","HB2045","Tian, Lai-Jin; Yu, Feng-Yang; Sun, Yu-Xi; Ding, Yang-Jun","(μ~3~-1,3,5-Benzenetricarboxylato)tris[triphenyltin(IV)] trichloromethane solvate","Acta Crystallographica Section E","2006","62","6","m1203","m1204","10.1107/S1600536806015728","","","0.71073","MoKα","","0.1266","0.0635","","","0.1151","0.1392","","","","","","0.964","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209184","11.5979","0.0011","13.4762","0.0013","14.5563","0.0015","62.426","0.002","77.652","0.002","79.594","0.002","1961.2","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","Mo(V)(O)(OEPc) 0.5(Mo6O19)","Bis[(2,3,6,7,12,13,16,17-octaethylporphycenato)oxomolybdenum(V)] hexamolybdate","","- C72 H88 Mo8 N8 O21 -","- C72 H88 Mo8 N8 O21 -","- C72 H88 Mo8 N8 O21 -","1","0.5","HB2046","Maeda, Daisuke; Aritome, Isao; Shimakoshi, Hisashi; Hisaeda, Yoshio","Bis[(2,3,6,7,12,13,16,17-octaethylporphycenato)oxomolybdenum(V)] hexamolybdate(VI)","Acta Crystallographica Section E","2006","62","6","m1272","m1274","10.1107/S1600536806016461","","","0.71073","MoKα","","0.0993","0.0636","","","0.1478","0.1679","","","","","","0.981","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209185","9.047","0.004","13.633","0.005","10.754","0.005","90","","101.87","0.01","90","","1298","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua[N^1^-(2-oxidophenylmethylimino)-3-azapentane-1,5-diamine]cobalt(II) chloride","","- C11 H18 Cl Co N3 O2 -","- C11 H18 Cl Co N3 O2 -","- C44 H72 Cl4 Co4 N12 O8 -","4","1","HB2047","Zhang, Hua-Wei; Hu, Sha; Zhang, Li-Na; Fang, Rui-Qin","Aqua[<i>N</i>-(2-oxidophenylmethylimino)-3-azapentane-1,5-diamine]cobalt(II) chloride","Acta Crystallographica Section E","2006","62","6","m1275","m1277","10.1107/S1600536806016874","","","0.71073","MoKα","","0.0582","0.042","","","0.0943","0.1034","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209186","15.254","0.003","16.018","0.003","19.069","0.004","90","","109.56","0.03","90","","4390.4","1.7","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[μ-benzene-1,3-dicarboxylato-[(2-phenyl-1H-1,3,7,8- tetraazacyclopenta[l]phenanthrene)cadmium(II)]]","","- C27 H16 Cd N4 O4 -","- C27 H16 Cd N4 O4 -","- C216 H128 Cd8 N32 O32 -","8","1","HB2048","Guang-Bo Che; Chun-Bo Liu; Liang Wang","Poly[[(2-phenyl-1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene)cadmium(II)]-μ-benzene-1,3-dicarboxylato]","Acta Crystallographica Section E","2006","62","6","m1241","m1243","10.1107/S160053680601645X","","","0.71073","MoKα","","0.0866","0.0444","","","0.0841","0.0957","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209187","9.655","0.0019","10.451","0.002","10.626","0.002","90.48","0.03","114.87","0.03","111.63","0.03","887.1","0.5","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[(2-phenyl-1H-1,3,7,8- tetraazacyclopenta[l]phenanthrene)manganese(II)]-μ-benzene-1,4-dicarboxylato]","","- C46 H28 Mn N8 O4 -","- C46 H28 Mn N8 O4 -","- C46 H28 Mn N8 O4 -","1","0.5","HB2049","Guang-Bo Che","<i>catena</i>-Poly[[(2-phenyl-1<i>H</i>-1,3,7,8-tetraazacyclopenta[l]phenanthrene)manganese(II)]-μ-benzene-1,4-dicarboxylato]","Acta Crystallographica Section E","2006","62","6","m1244","m1246","10.1107/S1600536806016606","","","0.71073","MoKα","","0.0994","0.0537","","","0.121","0.1425","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209188","21.914","0.002","5.6447","0.0006","15.4723","0.0015","90","","90","","90","","1913.9","0.3","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-oxapentane-1,5-diyl bis(p-toluenesulfonate)","","- C18 H22 O7 S2 -","- C18 H22 O7 S2 -","- C72 H88 O28 S8 -","4","0.5","HB2051","Andrey A. Yakovenko; Jose B. Gallegos; Robert D. Long; Tatiana V. Timofeeva; Mikhail Yu. Antipin","An orthorhombic polymorph of 3-oxapentane-1,5-diyl bis(<i>p</i>-toluenesulfonate)","Acta Crystallographica Section E","2006","62","6","o2484","o2486","10.1107/S1600536806018782","","","0.71073","MoKα","","0.0339","0.0317","","","0.0672","0.0683","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209189","16.572","0.002","16.572","0.002","7.7879","0.0016","90","","90","","90","","2138.8","0.6","293","2","293","2","","","","","","","","3","P 42/n :2","-P 4bc","86","1-Diamantanol","1-Hydroxydiamantane","","- C14 H20 O -","- C14 H20 O -","- C112 H160 O8 -","8","1","HB2052","Chu-Yi Yu; Qian Li; Li-Ben Wang; Hong-Wei Ma","1-Hydroxydiamantane","Acta Crystallographica Section E","2006","62","6","o2369","o2370","10.1107/S160053680601796X","","","0.71073","MoKα","","0.0598","0.0485","","","0.143","0.1489","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209190","14.7217","0.0005","13.7581","0.0005","10.596","0.0004","90","","95.647","0.001","90","","2135.73","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ-pentafluorobenzenethiolato)lead(II)]","","- C12 F10 Pb S2 -","- C12 F10 Pb S2 -","- C72 F60 Pb6 S12 -","6","1.5","HB2053","Fleischer, Holger; Heller, Cathrin; Schollmeyer, Dieter","Poly[bis(μ-pentafluorobenzenethiolato)lead(II)]","Acta Crystallographica Section E","2006","62","6","m1365","m1367","10.1107/S1600536806018563","","","0.71069","MoKα","","0.0836","0.0509","","","0.1208","0.1492","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209191","9.014","0.004","10.699","0.004","17.543","0.007","78.611","0.007","80.228","0.006","67.198","0.006","1520.8","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Tris(ethylenediammonium) di-μ~5~-phosphato-penta-μ~2~-oxo- decaoxopentamolybdenum(VI) trihydrate","","- C6 H36 Mo5 N6 O26 P2 -","- C6 H36 Mo5 N6 O26 P2 -","- C12 H72 Mo10 N12 O52 P4 -","2","1","HB2054","Wang, Shu-Xia; Zhu, Miao-Li","Tris(ethylenediammonium) penta-μ~2~-oxo-decaoxodi-μ~5~-phosphato-pentamolybdate(VI) trihydrate","Acta Crystallographica Section E","2006","62","6","m1395","m1396","10.1107/S1600536806018976","","","0.71073","MoKα","","0.0262","0.0255","","","0.0691","0.0695","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209192","8.1707","0.0016","15.052","0.003","17.136","0.003","90","","90.02","0.03","90","","2107.5","0.7","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[(pyrazino[2,3-f][1,10]phenanthroline)zinc(II)]-μ- cyclohexane-1,4-dicarboxylato] dihydrate]","","- C22 H22 N4 O6 Zn -","- C22 H22 N4 O6 Zn -","- C88 H88 N16 O24 Zn4 -","4","1","HB2055","Guang-Bo Che","<i>catena</i>-Poly[[[(pyrazino[2,3-<i>f</i>][1,10]phenanthroline)zinc(II)]-μ-cyclohexane-1,4-dicarboxylato] dihydrate]","Acta Crystallographica Section E","2006","62","6","m1378","m1380","10.1107/S1600536806018599","","","0.71073","MoKα","","0.072","0.0507","","","0.1338","0.1463","","","","","","1.063","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2209193","11.264","0.002","7.512","0.001","9.324","0.001","90","","111.91","0.01","90","","731.97","0.19","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Bis(<i>tert</i>-butylammonium) oxalate","","- C10 H24 N2 O4 -","- C10 H24 N2 O4 -","- C20 H48 N4 O8 -","2","0.25","HB2056","Ejsmont, Krzysztof; Zaleski, Jacek","Bis(<i>tert</i>-butylammonium) oxalate","Acta Crystallographica Section E","2006","62","6","o2512","o2513","10.1107/S160053680601926X","","","0.71073","MoKα","","0.0404","0.0354","","","0.1036","0.1073","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209194","10.046","0.002","22.749","0.004","12.683","0.002","90","","96.78","0.01","90","","2878.3","0.9","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ru(Tp)Cl(PPyrl~3~)(DMF)]","Chloro(dimethylformamide-κO)(hydridotripyrazolylborato)(tripyrrol-1- ylphosphine-κP)ruthenium(II)","","- C24 H29 B Cl N10 O P Ru -","- C24 H29 B Cl N10 O P Ru -","- C96 H116 B4 Cl4 N40 O4 P4 Ru4 -","4","1","HB2057","Slugovc, Christian; Kirchner, Karl; Mereiter, Kurt","Chloro(dimethylformamide-κ<i>O</i>)(hydridotripyrazolylborato)(tripyrrol-1-ylphosphine-κ<i>P</i>)ruthenium(II)","Acta Crystallographica Section E","2006","62","6","m1356","m1358","10.1107/S1600536806018277","","","0.71073","MoKα","","0.0334","0.025","","","0.0551","0.0583","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209195","26.536","0.008","9.547","0.003","18.026","0.004","90","","106.79","0.01","90","","4372","2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(3-hydroxybenzoato-κO)bis(5-nitro-1H-benzimidazole-κN^3^)cobalt(II) bis(5-nitro-1H-benzimidazole) dihydrate","","- C42 H38 Co N12 O18 -","- C42 H38 Co N12 O18 -","- C168 H152 Co4 N48 O72 -","4","0.5","HB2060","Bing-Yu Zhang; Jia-Geng Liu; Duan-Jun Xu","Diaquabis(3-hydroxybenzoato-κ<i>O</i>)bis(5-nitro-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cobalt(II) bis(5-nitro-1<i>H</i>-benzimidazole) dihydrate","Acta Crystallographica Section E","2006","62","6","m1384","m1386","10.1107/S1600536806018575","","","0.71075","MoKα","","0.049","0.037","","","0.095","0.099","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209196","3.7354","0.0007","12.099","0.002","13.129","0.003","90","","91.33","0.03","90","","593.2","0.2","292","2","292","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-Poly[[(pyrazino[2,3-f][1,10]phenanthroline)copper(I)]-μ~2~-chloro]","","- C14 H8 Cl Cu N4 -","- C14 H8 Cl Cu N4 -","- C28 H16 Cl2 Cu2 N8 -","2","0.5","HB2061","Guang-Bo Che; Zhan-Lin Xu; Chun-Bo Liu","<i>catena</i>-Poly[[(pyrazino[2,3-<i>f</i>][1,10]phenanthroline)copper(I)]-μ~2~-chloro]","Acta Crystallographica Section E","2006","62","6","m1370","m1372","10.1107/S1600536806018733","","","0.71073","MoKα","","0.0561","0.0392","","","0.0961","0.1031","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209197","9.386","0.004","13.254","0.005","14.856","0.004","110.541","0.013","91.055","0.013","108.155","0.014","1627.4","1.1","295","3","295","3","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Mn N4 O7 -","- C38 H28 Mn N4 O7 -","- C76 H56 Mn2 N8 O14 -","2","1","HB2064","Tian-Tian Pan; Jian-Rong Su; Duan-Jun Xu","Aqua(3-hydroxybenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 3-hydroxybenzoate","Acta Crystallographica Section E","2006","62","6","m1403","m1404","10.1107/S160053680601912X","","","0.71073","MoKα","","0.057","0.042","","","0.104","0.109","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2209198","8.045","0.003","10.376","0.005","11.538","0.004","65.05","0.04","89.94","0.03","72.91","0.03","826.3","0.7","110","2","110","","","","","","","","","5","P -1","-P 1","2","","poly[bis(4-aminopyridinium) decaoxotrimolybdenum]","","- C10 H14 Mo3 N4 O10 -","- C10 H14 Mo3 N4 O10 -","- C20 H28 Mo6 N8 O20 -","2","1","HB2065","Nelson, James R.; Narducci Sarjeant, Amy; Norquist, Alexander J.","Poly[bis(4-aminopyridinium) decaoxotrimolybdate(VI)]","Acta Crystallographica Section E","2006","62","6","m1448","m1450","10.1107/S1600536806019374","","","0.71073","MoKα","","0.0367","0.0216","","0.0462","0.0462","0.0462","","","","","","0.8565","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2209199","9.1936","0.0018","10.515","0.002","11.056","0.002","61.77","0.03","78.55","0.03","75.9","0.03","908.9","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2- yl)phenol]manganese(II)]-μ-benzene-1,4-dicarboxylato]","","- C46 H28 Mn N8 O6 -","- C46 H28 Mn N8 O6 -","- C46 H28 Mn N8 O6 -","1","0.5","HB2070","Guang-Bo Che; Xian-Feng Lin; Chun-Bo Liu","<i>catena</i>-Poly[[[4-(1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)phenol]manganese(II)]-μ-benzene-1,4-dicarboxylato]","Acta Crystallographica Section E","2006","62","6","m1456","m1458","10.1107/S1600536806019854","","","0.71073","MoKα","","0.0686","0.0481","","","0.1172","0.1261","","","","","","1.097","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209200","9.67","0.002","11.514","0.003","12.219","0.003","90","","93.074","0.004","90","","1358.5","0.6","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate monohydrate","","- C11 H18 N2 O3 S -","- C11 H18 N2 O3 S -","- C44 H72 N8 O12 S4 -","4","1","HG2029","Chandrakumar, K.; Kokila, M. K.; Puttaraja; Mohan, S.; Saravanan, J.; Kulkarni, M. V.","Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridine-3-carboxylate monohydrate","Acta Crystallographica Section E","2006","62","6","o2457","o2459","10.1107/S1600536806017831","","","0.71073","MoKα","","0.0696","0.0563","","","0.1308","0.1372","","","","","","1.189","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209201","9.477","0.005","7.592","0.004","16.017","0.009","90","","98.462","0.008","90","","1139.9","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-Chloro-2,4-dimethyl-1,8-napthyridin-1-ium nitrate","","- C10 H10 Cl N3 O3 -","- C10 H10 Cl N3 O3 -","- C40 H40 Cl4 N12 O12 -","4","1","HG2030","Da-Qi Wang","7-Chloro-2,4-dimethyl-1,8-naphthyridin-1-ium nitrate","Acta Crystallographica Section E","2006","62","6","o2181","o2182","10.1107/S1600536806015200","","","0.71073","MoKα","","0.0645","0.0476","","","0.1288","0.1446","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209202","11.417","0.0005","20.8796","0.0017","27.6747","0.0013","90","","90","","90","","6597.2","0.7","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichloro{P,P'-[3,3'-oxybis(m- phenylenemethylene)]bis(diphenylphosphine)}palladium(II)","","- C38 H32 Cl2 O P2 Pd -","- C38 H32 Cl2 O P2 Pd -","- C304 H256 Cl16 O8 P16 Pd8 -","8","1","HG2034","Chahen, Ludovic; Therrien, Bruno; Süss-Fink, Georg","<i>trans</i>-Dichloro{<i>P</i>,<i>P</i>'-[3,3'-oxybis(<i>m</i>-phenylenemethylene)]bis(diphenylphosphine)}palladium(II)","Acta Crystallographica Section E","2006","62","6","m1270","m1271","10.1107/S1600536806016710","","","0.71073","MoKα","","0.0859","0.0369","","","0.0643","0.0744","","","","","","0.822","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209203","10.599","0.002","7.426","0.001","17.624","0.003","90","","90.99","0.002","90","","1386.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromo{2-[2-(methylamino)ethyliminomethyl]phenolato}zinc(II)","","- C10 H14 Br2 N2 O Zn -","- C10 H14 Br2 N2 O Zn -","- C40 H56 Br8 N8 O4 Zn4 -","4","1","HG2036","Jun-Ying Ma; Ben-Lian Lv; Shao-Hua Gu; Jin-Wu Guo; Wei-Ping Yin","Dibromo{2-[2-(methylamino)ethyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2006","62","6","m1322","m1323","10.1107/S1600536806017016","","","0.71073","MoKα","","0.0758","0.0406","","","0.0769","0.0871","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209204","21.924","0.004","13.52","0.002","23.743","0.004","90","","90","","90","","7038","2","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ~2~-carbonyl-octacarbonyl[μ~2~-η^2^,η^2^-N-cyclohexyl-N-(2- thienylmethylene)amido]tetrairon","","- C32 H28 Fe4 N2 O10 S2 -","- C32 H28 Fe4 N2 O10 S2 -","- C256 H224 Fe32 N16 O80 S16 -","8","1","HG2037","Imhof, Wolfgang","Di-μ~2~-carbonyl-octacarbonyl[μ~2~-η^2^,η^2^-<i>N</i>-cyclohexyl-<i>N</i>-(2-thienylmethylene)amine]tetrairon(0)","Acta Crystallographica Section E","2006","62","6","m1350","m1352","10.1107/S1600536806018058","","","0.71073","MoKα","","0.162","0.0664","","","0.107","0.136","","","","","","0.987","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209205","8.1495","0.0003","11.7163","0.0004","13.573","0.0005","90","","90.234","0.001","90","","1295.97","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Homopiperizinium bis(dihydrogenarsenate)","","- C5 H18 As2 N2 O8 -","- C5 H18 As2 N2 O8 -","- C20 H72 As8 N8 O32 -","4","1","HG2038","Wilkinson, Hazel S.; Harrison, William T. A.","Homopiperazinium bis(dihydrogenarsenate)","Acta Crystallographica Section E","2006","62","6","m1397","m1399","10.1107/S1600536806018897","","","0.71073","MoKα","","0.0338","0.0241","","","0.0551","0.0573","","","","","","0.951","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209206","15.5061","0.0001","18.0353","0.0002","13.547","0.0002","90","","105.337","0.001","90","","3653.59","0.07","203","2","203","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","[1,2-Bis(diphenylphosphino)ethane]bis(N,N-dimethyldithiocarbamato)iron(III) tetrafluoroborate","","- C32 H36 B F4 Fe N2 P2 S4 -","- C32 H36 B F4 Fe N2 P2 S4 -","- C128 H144 B4 F16 Fe4 N8 P8 S16 -","4","0.5","HG2041","Boyd, Peter D. W.; Rickard, Clifton E. F.","[1,2-Bis(diphenylphosphino)ethane]bis(<i>N</i>,<i>N</i>-dimethyldithiocarbamato)iron(III) tetrafluoroborate","Acta Crystallographica Section E","2006","62","6","m1431","m1433","10.1107/S1600536806019349","","","0.71073","MoKα","","0.0484","0.0411","","","0.1242","0.1302","","","","","","0.891","","","","has coordinates,has Fobs","208246","2020-10-21","18:00:00",""
"2209207","6.506","0.0013","11.344","0.002","14.587","0.003","90","","90","","90","","1076.6","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N'-1,4-Piperazinediacetic acid","2,2'-(Piperazine-1,4-diium-1,4-diyl)diacetate dihydrate","","- C8 H18 N2 O6 -","- C8 H18 N2 O6 -","- C32 H72 N8 O24 -","4","0.5","HK2023","Shen, Li; Wang, Feng-Wu; Cheng, Ai-Bin; Yang, Song","2,2'-(Piperazine-1,4-diium-1,4-diyl)diacetate dihydrate","Acta Crystallographica Section E","2006","62","6","o2242","o2244","10.1107/S1600536806013572","","","0.71073","MoKα","","0.0655","0.0428","","","0.0953","0.1069","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209208","11.0966","0.0005","8.3152","0.0005","13.964","0.0007","90","","99.327","0.004","90","","1271.43","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfamerazine","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C44 H48 N16 O8 S4 -","4","1","HK2030","G. M. Golzar Hossain","A new polymorph of sulfamerazine","Acta Crystallographica Section E","2006","62","6","o2166","o2167","10.1107/S1600536806014449","","","0.71073","MoKα","","0.0792","0.0534","","","0.1198","0.133","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209209","12.5366","0.0018","8.2522","0.0011","14.71","0.002","90","","113.674","0.002","90","","1393.7","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethylpyridinium saccharinate","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C56 H56 N8 O12 S4 -","4","1","HK2031","Wang, Zi-Liang; Li, Ming-Xue; Wei, Lin-Heng; Wang, Jing-Ping","2,6-Dimethylpyridinium saccharinate","Acta Crystallographica Section E","2006","62","6","o2127","o2128","10.1107/S1600536806015297","","","0.71073","MoKα","","0.0628","0.0489","","","0.1315","0.1402","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209210","14.783","0.002","9.4408","0.0012","16.345","0.002","90","","96.878","0.003","90","","2264.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Benzyl-7,8-dihydro-7,7-dimethyl-5-phenyl-5H-indeno[1,2-b]quinoline- 9,11(6H,10H)-dione","","- C31 H27 N O2 -","- C31 H27 N O2 -","- C124 H108 N4 O8 -","4","1","HK2032","Shu-Jiang Tu; Bo Jiang; Cheng-Sheng Yao","10-Benzyl-7,8-dihydro-7,7-dimethyl-5-phenyl-5<i>H</i>-indeno[1,2-<i>b</i>]quinoline-9,11(6<i>H</i>,10<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","6","o2249","o2251","10.1107/S1600536806015303","","","0.7107","MoKα","","0.0678","0.0562","","","0.1057","0.11","","","","","","1.176","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209211","9.6725","0.0003","11.765","0.004","11.8623","0.0004","63.043","0.001","74.089","0.001","77.357","0.001","1150.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Liq","cyclo-Tris(μ-quinolin-8-olato)trilithium(I)","","- C54 H36 Li6 N6 O6 -","- C54 H36 Li6 N6 O6 -","- C54 H36 Li6 N6 O6 -","1","0.5","HK2033","Begley, William J.; Rajeswaran, Manju","Hexakis(μ-quinolin-8-olato)hexalithium(I)]: a centrosymmetric doubly stacked trimer","Acta Crystallographica Section E","2006","62","6","m1200","m1202","10.1107/S1600536806015601","","","0.71073","MoKα","","0.1374","0.0606","","","0.1534","0.191","","","","","","1.027","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2209212","9.839","0.003","11.981","0.004","10.908","0.004","90","","114.982","0.004","90","","1165.5","0.7","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","Forskolin G","1α-hydroxy-6β,7β-diacetoxy-8,13-epoxylabd-14-en-11-one","","- C24 H36 O7 -","- C24 H36 O7 -","- C48 H72 O14 -","2","1","HK2036","Yu-Pei Shan; Xiao-Bing Wang; Ling-Yi Kong","Forskolin G","Acta Crystallographica Section E","2006","62","6","o2408","o2410","10.1107/S1600536806018095","","","0.71073","MoKα","","0.0439","0.035","","","0.0849","0.093","","","","","","0.999","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209213","7.2641","0.0004","10.3018","0.0004","17.7667","0.001","90","","90.014","0.005","90","","1329.54","0.12","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Aquachloro(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-\κ^3^O,N,O')iron(III)","","- C9 H11 Cl Fe N O6 S -","- C9 H11 Cl Fe N O6 S -","- C36 H44 Cl4 Fe4 N4 O24 S4 -","4","1","HK2038","Rafizadeh, M; Mehrabi, B; Amani, V.","Aquachloro(dimethyl sulfoxide-κ<i>O</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')iron(III)","Acta Crystallographica Section E","2006","62","6","m1332","m1334","10.1107/S1600536806017387","","","0.71073","MoKα","","0.0389","0.0317","","","0.0795","0.0826","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209214","9.421","0.008","12.668","0.012","9.392","0.007","90","","102.53","0.07","90","","1094.2","1.6","566","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[methylamine-μ~3~-oxalato-copper(II)]","","- C6 H10 Cu2 N2 O8 -","- C6 H10 Cu2 N2 O8 -","- C24 H40 Cu8 N8 O32 -","4","1","HK2039","Tony D. Keene; Michael B. Hursthouse; Daniel J. Price","Poly[methylamine-μ-oxalato-copper(II)]","Acta Crystallographica Section E","2006","62","6","m1373","m1375","10.1107/S1600536806016679","","","0.71073","MoKα","","","0.0568","","","","0.1301","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209215","6.047","0.001","7.591","0.002","17.112","0.003","94.46","0.03","94.22","0.03","98.86","0.03","770.8","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2,3-Diphenyl-5-methyl-1-benzofuran","","- C21 H16 O -","- C21 H16 O -","- C42 H32 O2 -","2","1","HK2043","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Methyl-2,3-diphenyl-1-benzofuran","Acta Crystallographica Section E","2006","62","6","o2335","o2336","10.1107/S1600536806017454","","","0.71069","MoKα","","0.1799","0.0834","","","0.1381","0.1835","","","","","","1.186","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209216","7.1103","0.001","7.6318","0.0011","15.456","0.002","76.803","0.002","81.767","0.002","67.553","0.002","753.23","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N-(4-Ethoxyphenyl)-N-[3-(2-nitrophenyl)prop-2-enylidene]amine","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C34 H32 N4 O6 -","2","1","HK2045","Ying Li; Xiao-Yan Yang; Xue-Mei Li; Shu-Sheng Zhang","<i>N</i>-(4-Ethoxyphenyl)-<i>N</i>-[3-(2-nitrophenyl)prop-2-enylidene]amine","Acta Crystallographica Section E","2006","62","6","o2389","o2390","10.1107/S1600536806018125","","","0.71073","MoKα","","0.1014","0.0552","","","0.1294","0.1556","","","","","","1.009","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209217","15.1504","0.0012","16.5593","0.0013","18.9423","0.0015","90","","110.274","0.001","90","","4457.8","0.6","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[bis[[4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)phenol- κ^2^N^7^,N^8^]cadmium(II)]-di-μ~3~-benzene-1,3-dicarboxylato- κ^4^O:O':O'',O''']","","- C54 H32 Cd2 N8 O10 -","- C54 H32 Cd2 N8 O10 -","- C216 H128 Cd8 N32 O40 -","4","0.5","HY2003","Guang-Bo Che; Chun-Bo Liu; Yun-Cheng Cui; Chuan-Bi Li","<i>catena</i>-Poly[bis[[4-(1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)phenol-κ^2^<i>N</i>^7^,<i>N</i>^8^]cadmium(II)]-di-μ~3~-benzene-1,3-dicarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section E","2006","62","6","m1362","m1364","10.1107/S1600536806018654","","","0.71073","MoKα","","0.037","0.0298","","","0.0696","0.0731","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209218","7.2348","0.0016","11.429","0.002","12.563","0.003","96.078","0.004","105.071","0.003","94.283","0.004","991.8","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1-(2-Chlorophenyl)-3-[(phenyl)(4-tolylimino)methyl]thiourea","","- C21 H18 Cl N3 S -","- C21 H18 Cl N3 S -","- C42 H36 Cl2 N6 S2 -","2","1","IS2019","Zhi-Yong Xing; Hai-Tao Zhao","1-(2-Chlorophenyl)-3-[(phenyl)(4-tolylimino)methyl]thiourea","Acta Crystallographica Section E","2006","62","6","o2268","o2269","10.1107/S1600536806016916","","","0.71073","MoKα","","0.0666","0.0436","","","0.1115","0.1281","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209219","17.051","0.0012","7.6708","0.0006","11.2732","0.0008","90","","101.419","0.001","90","","1445.29","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{[2-(Bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl}- 1H-1,2,4-triazole","","- C13 H13 Br Cl N3 O2 -","- C13 H13 Br Cl N3 O2 -","- C52 H52 Br4 Cl4 N12 O8 -","4","1","IS2026","Yue-Qin Yu; Ai-Xiang Dong; Xue-Mei Li; Ping-Kai Ouyang; Shu-Sheng Zhang","1-{[2-(Bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl}-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2006","62","6","o2183","o2184","10.1107/S1600536806015406","","","0.71073","MoKα","","0.0386","0.0303","","","0.0753","0.0791","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209220","15.3215","0.0008","8.0676","0.0004","17.1663","0.0009","90","","100.119","0.001","90","","2088.88","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4-Bromophenyl)-6-(p-tosyl)perhydrothiazolidino[3,4-a]pyrrolo[4,5-c]pyrrole","","- C21 H23 Br N2 O2 S2 -","- C21 H23 Br N2 O2 S2 -","- C84 H92 Br4 N8 O8 S8 -","4","1","IS2027","Kavitha, Venugopal; Gayathri, Dasara Raju; Velmurugan, Devadasan; Ravikumar, Krishnan; Poornachandran, Mahalingam","3-(4-Bromophenyl)-6-(<i>p</i>-tosyl)perhydrothiazolidino[3,4-<i>a</i>]pyrrolo[4,5-<i>c</i>]pyrrole","Acta Crystallographica Section E","2006","62","6","o2146","o2148","10.1107/S1600536806015285","","","0.71073","MoKα","","0.065","0.0429","","","0.1126","0.1263","","","","","","0.958","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209221","12.486","0.003","8.974","0.002","14.41","0.002","90","","106.857","0.014","90","","1545.3","0.6","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","<i>meso</i>-Tetrakis(ethylenediamine)-1κ^4^N,N';3κ^4^N,N'- di-μ-sulfidoacetato-1:2κ^3^O,S:S;2:3κ^3^S:S,O- dicobalt(III)silver(I) triperchlorate","","- C12 H40 Ag Cl3 Co2 N8 O16 S2 -","- C12 H36 Ag Cl3 Co2 N8 O16 S2 -","- C24 H72 Ag2 Cl6 Co4 N16 O32 S4 -","2","0.5","IS2029","Nobuto Yoshinari; Asako Igashira-Kamiyama; Takumi Konno","<i>meso</i>-Tetrakis(ethylenediamine)-1κ^4^<i>N</i>,<i>N</i>';3κ^4^<i>N</i>,<i>N</i>'-di-μ-sulfidoacetato-1:2κ^3^<i>O</i>,<i>S</i>:<i>S</i>;2:3κ^3^<i>S</i>:<i>S</i>,<i>O</i>-dicobalt(III)silver(I) triperchlorate","Acta Crystallographica Section E","2006","62","6","m1229","m1231","10.1107/S1600536806015868","","","0.71069","MoKα","","0.0525","0.0325","","","0.0778","0.085","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209222","22.4877","0.0018","11.2298","0.0009","14.8969","0.0012","90","","126.298","0.001","90","","3031.9","0.4","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Ethoxy-3-phenyl-1-benzothieno[3,2-d]pyrimidin-4(3H)-one","","- C18 H14 N2 O2 S -","- C18 H14 N2 O2 S -","- C144 H112 N16 O16 S8 -","8","1","IS2030","Sheng-Zhen Xu; Yang-Gen Hu; Xiang Wang; Ming-Wu Ding","2-Ethoxy-3-phenyl-1-benzothieno[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","6","o2229","o2230","10.1107/S1600536806015959","","","0.71073","MoKα","","0.0512","0.0451","","","0.1165","0.1204","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209223","9.2719","0.0009","10.1752","0.0009","14.3413","0.0013","83.58","0.001","89.418","0.002","73.251","0.002","1287.1","0.2","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5-(triphenylphosphoranylideneamino)-1H-1,2,3-triazole-4-carboxylate","","- C29 H25 N4 O2 P -","- C29 H25 N4 O2 P -","- C58 H50 N8 O4 P2 -","2","1","IS2031","Ming-Guo Liu; Quan-Bin Liao","Ethyl 5-(triphenylphosphoranylideneamino)-1<i>H</i>-1,2,3-triazole-4-carboxylate","Acta Crystallographica Section E","2006","62","6","o2214","o2215","10.1107/S1600536806016096","","","0.71073","MoKα","","0.0749","0.0565","","","0.1607","0.1889","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209224","9.8887","0.0008","11.3492","0.0006","14.6304","0.0012","90","","119.701","0.009","90","","1426.2","0.2","153","2","153","2","","","","","","","","7","P 1 c 1","P -2yc","7","","catena-Poly[bis[silver(I)-μ-4,4'-bipyridine-κ^2^N:N'] hexafluorosilicate dihydrate ethylene glycol disolvate]","","- C24 H32 Ag2 F6 N4 O6 Si -","- C24 H32 Ag2 F6 N4 O6 Si -","- C48 H64 Ag4 F12 N8 O12 Si2 -","2","1","IS2032","Déborah González Mantero; Antonia Neels; Helen Stoeckli-Evans","<i>catena</i>-Poly[bis[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] hexafluorosilicate dihydrate ethylene glycol disolvate]","Acta Crystallographica Section E","2006","62","6","m1381","m1383","10.1107/S1600536806018150","","","0.71073","MoKα","","0.0668","0.0421","","","0.0878","0.0932","","","","","","0.836","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209225","7.389","0.003","7.908","0.003","13.575","0.005","80.877","0.005","79.738","0.005","70.002","0.005","729.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N'-(2,4-Dichlorobenzylidene)-2-methoxybenzohydrazide","","- C15 H12 Cl2 N2 O2 -","- C15 H12 Cl2 N2 O2 -","- C30 H24 Cl4 N4 O4 -","2","1","IS2034","Bai, Zheng-Chen; Li, Hao; Liu, Yu; Jing, Zuo-Liang","<i>N</i>'-(2,4-Dichlorobenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2006","62","6","o2295","o2296","10.1107/S1600536806017053","","","0.71073","MoKα","","0.0462","0.0335","","","0.0864","0.0925","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209226","5.5879","0.0007","9.2167","0.0012","14.3","0.0019","77.528","0.01","84.181","0.011","77.29","0.01","700.36","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-[(2-Hydroxybenzylidene)amino]-5-(2-thienylmethyl)-2H-1,2,4-triazol-3(4H)-one","","- C14 H12 N4 O2 S -","- C14 H12 N4 O2 S -","- C28 H24 N8 O4 S2 -","2","1","IS2035","Yılmaz, Isıl; Arslan, N. Burcu; Kazak, Canan; Sancak, Kemal; Er, Mustafa","4-[(2-Hydroxybenzylidene)amino]-5-(2-thienylmethyl)-2<i>H</i>-1,2,4-triazol-3(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","6","o2493","o2494","10.1107/S1600536806018496","","","0.71073","MoKα","","0.1339","0.066","","","0.1546","0.1849","","","","","","0.87","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209227","16.214","0.004","8.4979","0.0018","14.888","0.003","90","","109.204","0.004","90","","1937.2","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-(4-Ethoxy-3-methoxybenzylideneamino)-1,5-dimethyl-2-phenylpyrazolidin- 3-one","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C84 H92 N12 O12 -","4","1","IS2036","Yang, Yun; Ma, Shu-Lin; Lu, Lan-Li; Yang, Xiao-Qing","(<i>E</i>)-4-(4-Ethoxy-3-methoxybenzylideneamino)-1,5-dimethyl-2-phenylpyrazolidin-3-one","Acta Crystallographica Section E","2006","62","6","o2237","o2238","10.1107/S1600536806016400","","","0.71073","MoKα","","0.0803","0.0395","","","0.0932","0.1152","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209228","9.607","0.002","10.542","0.002","11.408","0.003","86.301","0.003","65.394","0.003","77.029","0.003","1023.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,3'-Dimethyl-2,2'-dinitro-N,N'-(o-phenylene)dibenzamide","","- C22 H18 N4 O6 -","- C22 H18 N4 O6 -","- C44 H36 N8 O12 -","2","1","IS2039","Xue-Mei Li; Li-Ping Du; Shu-Sheng Zhang","3,3'-Dimethyl-2,2'-dinitro-<i>N</i>,<i>N</i>'-(<i>o</i>-phenylene)dibenzamide","Acta Crystallographica Section E","2006","62","6","o2535","o2536","10.1107/S1600536806019076","","","0.71073","MoKα","","0.0781","0.0625","","","0.1705","0.1864","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209229","7.8798","0.001","16.225","0.002","16.894","0.002","90","","90","","90","","2159.9","0.5","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2-Dibromo-4,5-bis(bromomethyl)benzene","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C64 H48 Br32 -","8","1","IS2041","Neng-Fang She; Qin Zhao; Guo-Dong Yin; An-Xin Wu","1,2-Dibromo-4,5-bis(bromomethyl)benzene","Acta Crystallographica Section E","2006","62","6","o2523","o2524","10.1107/S1600536806018514","","","0.71073","MoKα","","0.089","0.042","","","0.0964","0.1065","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209230","8.39","0.005","11.547","0.007","11.737","0.007","90","","90","","90","","1137.1","1.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(6-Chloropyridin-3-ylmethyl)-1H-benzoimidazole","","- C13 H10 Cl N3 -","- C13 H10 Cl N3 -","- C52 H40 Cl4 N12 -","4","1","JH2015","Ming-Yi Cai; Zhong Li; Gong-Hua Song; Tao Yu; Ying-Li Wu","1-(6-Chloropyridin-3-ylmethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2006","62","6","o2374","o2376","10.1107/S1600536806017909","","","0.71073","MoKα","","0.0434","0.037","","","0.089","0.0919","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209231","8.036","0.002","8.724","0.002","11.881","0.002","91.13","0.02","109.52","0.02","106.38","0.02","747.2","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1-Oxo-3-phenyl-1,2-dihydropyrido[1,2-<i>a</i>]pyrazin-5-ium hexafluorophosphate","","- C14 H11 F6 N2 O P -","- C14 H11 F6 N2 O P -","- C28 H22 F12 N4 O2 P2 -","2","1","JH2016","He, Ting; Li, Yi-Zhi; Hu, Hong-Wen","1-Oxo-3-phenyl-1,2-dihydropyrido[1,2-<i>a</i>]pyrazin-5-ium hexafluorophosphate","Acta Crystallographica Section E","2006","62","6","o2438","o2439","10.1107/S1600536806017272","","","0.71073","MoKα","","0.121","0.0665","","","0.1908","0.2307","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209232","10","0.02","8.842","0.01","14.693","0.01","90","","90.36","0.08","90","","1299","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl (Z)-5-ethyl-4-ethylidene-8-methyl-2-oxo-3,8-diazabicyclo[3.2.1]octane-6-endo- 6-carboxylate","","- C13 H20 N2 O3 -","- C13 H20 N2 O3 -","- C52 H80 N8 O12 -","4","1","KJ2003","Madeleine Helliwell; Yun You; John A. Joule","The dipolar cycloaddition of methyl acrylate to 5,6-diethyl-1-methyl-3-oxidopyrazinium","Acta Crystallographica Section E","2006","62","6","o2318","o2320","10.1107/S1600536806017107","","","0.71069","MoKα","","0.0517","0.0421","","","0.1204","0.1264","","","","","","1.061","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209233","6.7148","0.0005","10.5307","0.0007","12.2614","0.0009","64.58","0.003","89.405","0.004","80.336","0.005","770.12","0.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","Poly[(O-ethyl dithiocarbonate-κ3S,S',O)(1,10-phenanthroline-κ2N,N')potassium(I)]","","- C15 H13 K N2 O S2 -","- C15 H13 K N2 O S2 -","- C30 H26 K2 N4 O2 S4 -","2","1","KJ2005","Nair, Sreekumari P.; Mirkovic, Tihana; Scholes, Gregory D.; Lough, Alan J.","Poly[(μ~3~-<i>O</i>-ethyl dithiocarbonato-κ^5^<i>O</i>,<i>S</i>:<i>S</i>,<i>S</i>':<i>S</i>')[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')potassium(I)]]","Acta Crystallographica Section E","2006","62","6","m1317","m1319","10.1107/S1600536806017636","","","0.71073","MoKα","","0.0895","0.0545","","","0.1344","0.1577","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209234","11.912","0.003","7.7221","0.0018","12.312","0.003","90","","103.993","0.003","90","","1098.9","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-[(S)-1-(5-Chloro-2-hydroxyphenyl)ethyl]-N-[(R)-2-hydroxy-1- phenylethyl]aminium chloride ethyl acetate solvate","","- C20 H27 Cl2 N O4 -","- C20 H27 Cl2 N O4 -","- C40 H54 Cl4 N2 O8 -","2","1","KP2016","Guang-You Zhang; Xiang-Bo Wang; Jin-Yan Zhao; Wan-Hui Wang; Xiao-Feng Yang","<i>N</i>-[(<i>S</i>)-1-(5-Chloro-2-hydroxyphenyl)ethyl]-<i>N</i>-[(<i>R</i>)-2-hydroxy-1-phenylethyl]aminium chloride ethyl acetate solvate","Acta Crystallographica Section E","2006","62","6","o2239","o2241","10.1107/S1600536806016308","","","0.71073","MoKα","","0.0705","0.067","","","0.1735","0.1777","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209235","9.812","0.005","12.927","0.007","11.095","0.006","90","","102.294","0.009","90","","1375","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-cyclohexyl-4-methylbenzenesulfonamide","","- C13 H19 N O2 S -","- C13 H19 N O2 S -","- C52 H76 N4 O8 S4 -","4","1","KP2017","Yu-Ye Yu","<i>N</i>-Cyclohexyl-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2006","62","6","o2308","o2309","10.1107/S1600536806017077","","","0.71073","MoKα","","0.1108","0.0539","","","0.1326","0.1661","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209236","10.365","0.002","9.556","0.002","13.297","0.003","90","","90.918","0.016","90","","1316.9","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Benzyl-4-(hydroxyiminomethyl)pyridinium bromide","","","- C13 H13 Br N2 O -","- C13 H13 Br N2 O -","- C52 H52 Br4 N8 O4 -","4","1","KP2018","Renata Odžak; Halasz, Ivan; Srđanka Tomić; Dubravka Matković Čalogović","<i>N</i>-Benzyl-4-(hydroxyiminomethyl)pyridinium bromide","Acta Crystallographica Section E","2006","62","6","o2423","o2424","10.1107/S1600536806018356","","","0.71073","MoKα","","0.0485","0.0316","","","0.0728","0.0805","","","","","","0.983","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209237","6.8971","0.001","9.8366","0.0014","10.18","0.0014","64.443","0.002","86.796","0.002","87.896","0.002","622.04","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,9-Dimethyl-1,10-phenanthrolinium nitrate","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C28 H26 N6 O6 -","2","1","KP2019","Yue-Qin Yu; Cai-Feng Ding; Mei-Ling Zhang; Xue-Mei Li; Shu-Sheng Zhang","2,9-Dimethyl-1,10-phenanthrolinium nitrate","Acta Crystallographica Section E","2006","62","6","o2187","o2189","10.1107/S1600536806016199","","","0.71073","MoKα","","0.0573","0.0448","","","0.1158","0.1269","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209238","5.2411","0.0008","10.2928","0.0016","16.76","0.003","90","","90","","90","","904.1","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl 3-amino-3-N,4-O-carbonyl-2,3,6-trideoxy-α-L-lyxo-hexopyranoside","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","1","KP2023","Mendlik, Matthew T.; Coleman, Robert S.; Qi, Guizhong; Lowary, Todd L.; McDonald, Robert","Methyl 3-amino-3-<i>N</i>,4-<i>O</i>-carbonyl-2,3,6-trideoxy-α-<small>L</small>-<i>lyxo</i>-hexopyranoside","Acta Crystallographica Section E","2006","62","6","o2490","o2492","10.1107/S160053680601840X","","","0.71073","MoKα","","0.0483","0.0346","","","0.0739","0.0792","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209239","8.3801","0.0002","12.5398","0.0002","12.6852","0.0002","90","","90","","90","","1333.02","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(-)-isosantonic acid","(1R,3aS,6aS,7R,9S)-(-)-α,3a,7-trimethyl-5,8-dioxo-1,4- ethanoperhydropentalene-1-acetic acid'","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","LH2039","Zinczuk, Juan; Ruveda, Edmundo A.; Lalancette, Roger A.; Thompson, Hugh W.","(‒)-Isosantonic acid: alteration of the hydrogen-bonding mode by configurational inversion at a single centre in a γ,ε-diketocarboxylic acid","Acta Crystallographica Section E","2006","62","6","o2120","o2122","10.1107/S160053680601405X","","","1.54178","CuKα","","0.025","0.025","","","0.066","0.066","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209240","8.269","0.003","12.252","0.004","16.641","0.003","69.35","0.04","86.35","0.05","72.82","0.03","1505.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Thiaminium dipicrate","Thiaminium dipicrate","","- C24 H22 N10 O15 S -","- C24 H22 N10 O15 S -","- C48 H44 N20 O30 S2 -","2","1","LH2041","K. Anitha; S. Athimoolam; S. Natarajan","Thiaminium dipicrate","Acta Crystallographica Section E","2006","62","6","o2324","o2326","10.1107/S160053680601720X","","","0.71073","MoKα","","0.1634","0.067","","","0.1827","0.24","","","","","","1.02","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2209241","17.678","0.004","10.262","0.002","11.477","0.003","90","","106.935","0.004","90","","1991.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(4- methylbenzylideneamino)-1H-pyrazole3-carbonitrile","","- C19 H10 Cl3 F3 N4 -","- C19 H10 Cl3 F3 N4 -","- C76 H40 Cl12 F12 N16 -","4","1","LH2046","Li, Shu-Yan; Zhong, Ping; Hu, Mao-Lin","4-Chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(4-methylbenzylideneamino)-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2006","62","6","o2113","o2114","10.1107/S1600536806015157","","","0.71073","MoKα","","0.0947","0.0735","","","0.1919","0.2086","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209242","10.275","0.001","11.398","0.001","15.068","0.001","91.95","0.01","91.13","0.01","102.4","0.01","1721.9","0.3","299","2","299","2","","","","","","","","3","P -1","-P 1","2","Hexamethoxyamentoflavone","5,7,4',5'',7'',4'''-hexamethoxy-3',8''-biflavone trihydrate","","- C36 H36 O13 -","- C36 H36 O13 -","- C72 H72 O26 -","2","1","LH2053","Bauri, A. K.; Sabine, Foro; Lindner, Hans J.; Nayak, S. K.","Hexamethoxyamentoflavone trihydrate","Acta Crystallographica Section E","2006","62","6","o2321","o2323","10.1107/S1600536806016539","","","1.5418","CuKα","","0.3186","0.0873","","","0.1836","0.2689","","","","","","0.928","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209243","13.5698","0.0008","7.8257","0.0006","13.6527","0.0008","90","","100.69","0.004","90","","1424.66","0.16","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5-Methylisoxazol-3-yl)[2-(5-methylisoxazol-3-yl)-2,3-dihydro-1H-isoindol- 1-ylidene]amine","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","1","LH2057","Mehmet Akkurt; Sema Öztürk Yıldırım; Shar S. Al-Shihry; Orhan Büyükgüngör","(5-Methylisoxazol-3-yl)[2-(5-methylisoxazol-3-yl)-2,3-dihydro-1H-isoindol-1-ylidene]amine","Acta Crystallographica Section E","2006","62","6","o2226","o2228","10.1107/S1600536806016564","","","0.71073","MoKα","","0.0505","0.0414","","","0.1159","0.1214","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209244","6.4916","0.0005","7.4037","0.0005","23.818","0.002","90","","90","","90","","1144.74","0.15","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Amino-(1-methylphenyl)pyridinium bromide","","- C12 H13 Br N2 -","- C12 H13 Br N2 -","- C48 H52 Br4 N8 -","4","1","LH2058","Seethalakshmi, T.; Kaliannan, P.; Venkatesan, P.; Fronczek, F. R.; Thamotharan, S.","4-Amino-(1-methylphenyl)pyridinium bromide","Acta Crystallographica Section E","2006","62","6","o2353","o2355","10.1107/S1600536806017326","","","0.71073","MoKα","","0.0242","0.0217","","","0.0489","0.0501","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209245","13.9913","0.0012","11.3985","0.0008","7.2081","0.0005","90","","90","","90","","1149.55","0.15","150","1","150","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","Dibenzyl sulphide","","- C14 H14 S -","- C14 H14 S -","- C56 H56 S4 -","4","0.5","LH2059","Hansson, Christian","Dibenzyl sulfide at 150 K","Acta Crystallographica Section E","2006","62","6","o2377","o2379","10.1107/S1600536806017491","","","0.71073","MoKα","","0.0508","0.0392","","","0.1131","0.1187","","","","","","1.088","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209246","18.67","0.004","3.7723","0.0004","23.896","0.005","90","","96.429","0.006","90","","1672.4","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Glyoxal 2-nitrophenylhydrazone","","- C8 H7 N3 O3 -","- C8 H7 N3 O3 -","- C64 H56 N24 O24 -","8","1","LH2061","Wardell, James L.; Low, John N.; Glidewell, Christopher","Glyoxal 2-nitrophenylhydrazone: a hydrogen-bonded chain of <i>R</i>~2~^2^(12) and <i>R</i>~4~^4^(24) rings","Acta Crystallographica Section E","2006","62","6","o2204","o2206","10.1107/S1600536806016047","","","0.71073","MoKα","","0.178","0.0898","","","0.2281","0.2681","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209247","14.48","0.02","8.323","0.001","18.455","0.005","90","","112.28","0.012","90","","2058","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenyl(1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yl)phosphine oxide","","- C24 H26 N O P -","- C24 H26 N O P -","- C96 H104 N4 O4 P4 -","4","2","LH2062","I. Darren Grice; Ian D. Jenkins; W. Ken Busfield; Karl A. Byriel; Colin H. L. Kennard","Diphenyl(1,1,3,3-tetramethyl-2,3-dihydro-1<i>H</i>-isoindol-2-yl)phosphine oxide","Acta Crystallographica Section E","2006","62","6","o2329","o2330","10.1107/S1600536806017193","","","0.71073","MoKα","","0.0422","0.0294","","","0.0792","0.0855","","","","","","1.028","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209248","6.0017","0.0007","8.4357","0.0009","26.733","0.003","90","","94.614","0.002","90","","1349.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-Hydroxy-2-phenylacetic acid‒(R)-2-aminobutanoic acid‒water (1/1/2)","","- C12 H18 N O5.5 -","- C6 H9 N0.5 O2.75 -","- C48 H72 N4 O22 -","8","4","LH2063","Ming-Yu Teng; Jie Sun; Chun-An Ma; Qing-Bao Song","(<i>S</i>)-2-Hydroxy-2-phenylacetic acid‒(<i>R</i>)-2-aminobutanoic acid‒water (1/1/0.5)","Acta Crystallographica Section E","2006","62","6","o2454","o2456","10.1107/S1600536806018605","","","0.71073","MoKα","","0.0568","0.0449","","","0.0993","0.1037","","","","","","0.915","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209249","10.8589","0.0004","11.5303","0.0005","13.0841","0.0005","68.777","0.001","79.774","0.001","81.332","0.001","1496.16","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[(dppe)P 1+]2 [SnCl6 2-] . 2 CH2Cl2","bis[1,1,3,3-tetraphenyl-1,3,2-triphospholenylium] hexachlorostannate dichloromethane solvate","","- C54 H52 Cl10 P6 Sn -","- C54 H52 Cl10 P6 Sn -","- C54 H52 Cl10 P6 Sn -","1","0.5","LH2065","Ellis, Bobby D.; Macdonald, Charles L. B.","Redetermination of a cyclic triphosphenium hexachlorostannate salt at 173 K","Acta Crystallographica Section E","2006","62","6","m1235","m1236","10.1107/S1600536806016345","","","0.71073","MoKα","","0.0624","0.0539","","","0.1015","0.1121","","","","","","1.234","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209250","8.1097","0.001","8.6533","0.0008","12.2541","0.0012","81.017","0.008","86.018","0.008","73.294","0.009","813.27","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Dichlorobis(quinoxaline)zinc(II)","","- C16 H12 Cl2 N4 Zn -","- C16 H12 Cl2 N4 Zn -","- C32 H24 Cl4 N8 Zn2 -","2","1","LH2067","Markowitz, Brian M. E.; Turnbull, Mark M.; Awwadi, Firas A.","Dichlorodiquinoxalinezinc(II)","Acta Crystallographica Section E","2006","62","6","m1278","m1280","10.1107/S1600536806017004","","","0.71073","MoKα","","0.0326","0.0269","","","0.0689","0.0718","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209251","6.9959","0.0015","7.4103","0.0016","21.343","0.005","84.138","0.003","85.684","0.003","62.749","0.002","978","0.4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","(2Z)-3-(4-Hydroxyphenyl)-2-(pyridinium-4-yl)acrylonitrile p-toluenesulfonate","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C44 H40 N4 O8 S2 -","2","1","LH2068","Merritt C. Helvenston; Vladimir N. Nesterov; Horace J. Jenkins","(2<i>Z</i>)-3-(4-Hydroxyphenyl)-2-(pyridinium-4-yl)acrylonitrile <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2006","62","6","o2339","o2341","10.1107/S1600536806017156","","","0.71073","MoKα","","0.0753","0.0565","","","0.1554","0.1698","","","","","","0.998","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209252","24.245","0.004","4.358","0.001","11.401","0.002","90","","90","","90","","1204.6","0.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Bromo-2-[(5-methylpyridin-2-ylimino)methyl]phenol","","- C13 H11 Br N2 O -","- C13 H11 Br N2 O -","- C52 H44 Br4 N8 O4 -","4","1","LH2069","Yang, De-Suo","4-Bromo-2-[(5-methylpyridin-2-ylimino)methyl]phenol","Acta Crystallographica Section E","2006","62","6","o2365","o2366","10.1107/S1600536806017211","","","0.71073","MoKα","","0.0866","0.0442","","","0.0968","0.117","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209253","6.037","0.0012","10.372","0.002","16.286","0.003","92.473","0.003","94.729","0.004","106.1","0.004","974.1","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1-[(Phenyl)(p-tolylimino)methyl]-3-(p-tolyl)thiourea","","- C22 H21 N3 S -","- C22 H21 N3 S -","- C44 H42 N6 S2 -","2","1","LH2071","Zhi-Yong Xing; Wen-Tao Zhao","1-[(Phenyl)(<i>p</i>-tolylimino)methyl]-3-(<i>p</i>-tolyl)thiourea","Acta Crystallographica Section E","2006","62","6","o2544","o2545","10.1107/S1600536806019271","","","0.71073","MoKα","","0.076","0.045","","","0.1055","0.1266","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209254","6.242","0.009","10.814","0.015","19.79","0.03","90","","90","","90","","1336","3","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclo(L-isoleucyl-L-isoleucyl)","(3S,6S)-3,6-bis(S-sec-butyl)-2,5-piperazine-2,5-dione","","- C12 H22 N2 O2 -","- C12 H22 N2 O2 -","- C48 H88 N8 O8 -","4","1","LH2073","Görbitz, Carl Henrik; Hartviksen, Lars Male","Cyclo(<small>L</small>-isoleucyl-<small>L</small>-isoleucyl)","Acta Crystallographica Section E","2006","62","6","o2358","o2360","10.1107/S1600536806017338","","","0.71073","MoKα","","0.0431","0.0361","","","0.0934","0.1057","","","","","","1.087","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209255","6.6457","0.0001","17.4657","0.0003","7.0105","0.0001","90","","105.068","0.001","90","","785.74","0.02","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Oxoindan-6-carboxylic acid","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","1","LH2075","Lalancette, Roger A.; Kikolski, Elizabeth M.; Thompson, Hugh W.","1-Oxoindan-6-carboxylic acid: catemeric hydrogen bonding in an aromatic δ-keto acid","Acta Crystallographica Section E","2006","62","6","o2435","o2437","10.1107/S1600536806018022","","","1.54178","CuKα","","0.033","0.032","","","0.093","0.094","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209256","13.959","0.005","5.679","0.002","10.86","0.004","90","","107.386","0.006","90","","821.6","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,3'-(p-Phenylenedimethylene)bis(propane-2,4-dione)","","- C18 H22 O4 -","- C18 H22 O4 -","- C36 H44 O8 -","2","0.5","LH2077","Shi, Jing-Min; Chen, Ju-Na; Wu, Chang-Ju; Liu, Lian-Dong","3,3'-(<i>p</i>-Phenylenedimethylene)bis(pentane-2,4-dione)","Acta Crystallographica Section E","2006","62","6","o2469","o2470","10.1107/S1600536806018617","","","0.71073","MoKα","","0.0942","0.0653","","","0.1426","0.1573","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209257","21.684","0.004","11.376","0.002","11.032","0.002","90","","92.828","0.003","90","","2718","0.9","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquabis[(4-tolylsulfanyl)acetato-κO]cobalt(II)]-μ-4,4'- bipyridine-κ^2^N:N']","","- C28 H30 Co N2 O6 S2 -","- C28 H30 Co N2 O6 S2 -","- C112 H120 Co4 N8 O24 S8 -","4","0.5","LH2078","Xiao-Yong Zheng; Hong Su; Yun-Long Feng","<i>catena</i>-Poly[[diaquabis[(4-tolylsulfanyl)acetato-κ<i>O</i>]cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2006","62","6","m1393","m1394","10.1107/S1600536806018642","","","0.71073","MoKα","","0.0364","0.0282","","","0.0787","0.0811","","","","","","1.077","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209258","15.871","0.0013","4.5603","0.0004","19.68","0.0016","90","","95.477","0.002","90","","1417.9","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1-Benzoyl-3-(3-trifluoromethylphenyl)thiourea","1-Benzoyl-3-[3-(trifluoromethyl)phenyl]thiourea","","- C15 H11 F3 N2 O S -","- C15 H11 F3 N2 O S -","- C60 H44 F12 N8 O4 S4 -","4","1","LH2079","Khawar Rauf, M.; Badshah, Amin; Flörke, Ulrich","1-Benzoyl-3-[3-(trifluoromethyl)phenyl]thiourea","Acta Crystallographica Section E","2006","62","6","o2452","o2453","10.1107/S1600536806018630","","","0.71073","MoKα","","0.0773","0.0564","","","0.1349","0.1452","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209259","29.375","0.004","9.6601","0.001","17.09","0.002","90","","109.867","0.009","90","","4560.9","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis (4- aminophenoxy) methane","Bis(4-aminophenoxy)methane","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C208 H224 N32 O32 -","16","2","LH2080","Butt, M. Saeed; Akhtar, Zareen; Bolte, Michael; Khawar Rauf, M.; Zafar-uz-Zaman,M","Bis(4-aminophenoxy)methane","Acta Crystallographica Section E","2006","62","6","o2541","o2543","10.1107/S1600536806019258","","","0.71073","MoKα","","0.1605","0.0504","","","0.1011","0.1287","","","","","","0.848","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209260","9.7686","0.0008","28.475","0.002","18.9966","0.0018","90","","96.731","0.004","90","","5247.7","0.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[bis(N,N-diethyldithiocarbamato-κ^2^S,S')cadmium(II)]-μ- trans-1,2-di-4-pyridylethane-κ^2^N:N']","","- C22 H32 Cd N4 S4 -","- C22 H32 Cd N4 S4 -","- C176 H256 Cd8 N32 S32 -","8","2","LH2082","Avila, Vanessa; Benson, Ronald E.; Broker, Grant A.; Daniels, Lee M.; Tiekink, Edward R. T.","<i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)]-μ-<i>trans</i>-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2006","62","6","m1425","m1427","10.1107/S1600536806018770","","","0.7107","MoKα","","0.059","0.05","","","0.12","0.125","","","","","","1.25","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209261","12.5402","0.0015","9.8173","0.001","19.135","0.002","90","","90","","90","","2355.7","0.4","115","2","115","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Amino-(1-ethoxycarbonylmethyl)pyridinium iodide","","- C9 H13 I N2 O2 -","- C9 H13 I N2 O2 -","- C72 H104 I8 N16 O16 -","8","1","LH2083","Seethalakshmi, T.; Venkatesan, P.; Fronczek, F. R.; Kaliannan, P.; Thamotharan, S.","4-Amino-(1-ethoxycarbonylmethyl)pyridinium iodide","Acta Crystallographica Section E","2006","62","6","o2560","o2562","10.1107/S1600536806019283","","","0.71073","MoKα","","0.043","0.028","","","0.063","0.068","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209262","6.0621","0.0002","7.3991","0.0003","12.2661","0.0005","75.9684","0.0016","85.112","0.002","88.903","0.002","531.83","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Nitrobenzoyl)thiosemicarbazide monohydrate","","- C8 H10 N4 O4 S -","- C8 H10 N4 O4 S -","- C16 H20 N8 O8 S2 -","2","1","LH2086","Adriana Lages; Núbia Boechat; W. Bruce Kover; Solange M. S. V. Wardell; Janet M. S. Skakle","1-(4-Nitrobenzoyl)thiosemicarbazide monohydrate: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section E","2006","62","6","o2563","o2565","10.1107/S1600536806019301","","","0.71073","MoKα","","0.0362","0.031","","","0.0881","0.0912","","","","","","1.124","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209263","11.053","0.0004","12.056","0.0004","26.514","0.0009","83.685","0.002","84.15","0.002","73.725","0.002","3361.6","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","trans-carbonylchlorobis[tris(4-fluorophenyl)phosphine]rhodium(I)","","- C37 H24 Cl F6 O P2 Rh -","- C37 H24 Cl F6 O P2 Rh -","- C148 H96 Cl4 F24 O4 P8 Rh4 -","4","2","MY3004","Meijboom, Reinout; Muller, Alfred; Roodt, Andreas","A new polymorph of <i>trans</i>-carbonylchlorobis[tris(4-fluorophenyl)phosphine]rhodium(I)","Acta Crystallographica Section E","2006","62","6","m1309","m1311","10.1107/S1600536806015637","","","0.71073","MoKα","","","0.0269","","","","0.0668","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209264","32.665","0.009","4.778","0.001","15.015","0.004","90","","113.19","0.02","90","","2154.1","1","299","2","299","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S)-4-[2-(3-Cyanobenzamido)-3-hydroxypropyl]phenyl 3-cyanobenzoate","","- C25 H19 N3 O4 -","- C25 H19 N3 O4 -","- C100 H76 N12 O16 -","4","1","NC2015","Umbreen, Sumaira; Foro, Sabine; Schmidt, Boris","(<i>S</i>)-4-[2-(3-Cyanobenzamido)-3-hydroxypropyl]phenyl 3-cyanobenzoate","Acta Crystallographica Section E","2006","62","6","o2551","o2552","10.1107/S1600536806019428","","","0.71073","MoKα","","0.1104","0.0382","","","0.0624","0.0786","","","","","","0.875","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209265","8.2708","0.0003","10.7547","0.0003","12.3929","0.0003","88.1844","0.0017","85.3535","0.0016","69.6152","0.0013","1029.91","0.05","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","2-{(E)-3-[(E)-4-bromophenyliminomethyl]-4-hydroxyphenyldiazenyl}benzoic acid toluene hemisolvate","","- C23.5 H18 Br N3 O3 -","- C23.5 H18 Br N3 O3 -","- C47 H36 Br2 N6 O6 -","2","1","NC2016","Linden, Anthony; Basu Baul, Tushar S.; Singh, Keisham S.","2-{(<i>E</i>)-3-[(<i>E</i>)-4-Bromophenyliminomethyl]-4-hydroxyphenyldiazenyl}benzoic acid toluene hemisolvate","Acta Crystallographica Section E","2006","62","6","o2566","o2568","10.1107/S1600536806019556","","","0.71073","MoKα","","0.0549","0.0368","","","0.0883","0.0977","","","","","","1.034","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2209266","31.836","0.008","12.844","0.003","31.837","0.007","90","","103.549","0.007","90","","12656","5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Triaqua-μ~3~-oxo-hexa-μ~2~-propionato-κ^12^O:O'-trichromium(II) nitrate hemihydrate","","- C18 H37 Cr3 N O19.5 -","- C18 H37 Cr3 N O19.5 -","- C288 H592 Cr48 N16 O312 -","16","2","NG2020","Xia, Wen-Sheng; Radosevich, Jennifer; Ellern, Arkady","Triaqua-μ~3~-oxo-hexa-μ~2~-propionato-κ^12^<i>O</i>:<i>O</i>'-trichromium(III) nitrate hemihydrate","Acta Crystallographica Section E","2006","62","6","m1213","m1215","10.1107/S160053680601556X","","","0.71073","MoKα","","0.07","0.0428","","","0.1085","0.1263","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2209267","11.451","0.002","13.614","0.003","14.892","0.003","90","","108.39","0.03","90","","2203","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","cis-Dichlorobis(2,2'-diamino-4,4'-bi-1,3-thiazole)manganese(II) methanol solvate","","- C13 H16 Cl2 Mn N8 O S4 -","- C13 H16 Cl2 Mn N8 O S4 -","- C52 H64 Cl8 Mn4 N32 O4 S16 -","4","1","NG2036","Zhi-Yong Wu; Jie Zhang; Yong Huang; Yan-Tuan Li; Wei Sun","<i>cis</i>-Dichlorobis(2,2'-diamino-4,4'-bi-1,3-thiazole)manganese(II) methanol solvate","Acta Crystallographica Section E","2006","62","6","m1232","m1234","10.1107/S160053680601539X","","","0.71073","MoKα","","0.0641","0.0568","","","0.1318","0.1361","","","","","","1.142","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209268","15.8969","0.0009","15.8969","","12.1289","0.0009","90","","90","","120","","2654.5","0.2","299","2","299","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","Aquabis[N-(5,7-dibromoquinolin-8-yl)-4-methylbenzenesulfonamidato- κ^2^N,N']zinc(II)","","- C32 H24 Br4 N4 O5 S2 Zn -","- C32 H24 Br4 N4 O5 S2 Zn -","- C96 H72 Br12 N12 O15 S6 Zn3 -","3","0.5","NG2038","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","Aquabis[<i>N</i>-(5,7-dibromoquinolin-8-yl)-4-methylbenzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']zinc(II)","Acta Crystallographica Section E","2006","62","6","m1258","m1259","10.1107/S1600536806016254","","","0.71073","MoKα","","0.0616","0.0469","","","0.115","0.1226","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209269","6.314","0.003","9.785","0.003","17.289","0.006","90","","90","","90","","1068.2","0.7","298","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-6-Amino-2-(2-thienyl)-1,4-thiazepan-5-one","","- C9 H12 N2 O S2 -","- C9 H12 N2 O S2 -","- C36 H48 N8 O4 S8 -","4","1","OB2015","Dan-Hua Wang; Yuan-Jiang Pan; Xiu-Rong Hu","(2<i>R,6{ıt S)-</i>}6-Amino-2-(2-thienyl)-1,4-thiazepan-5-one","Acta Crystallographica Section E","2006","62","6","o2337","o2338","10.1107/S1600536806017223","","","0.71075","MoKα","","","0.0254","","","","0.069","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209270","3.6239","0.001","8.132","0.0011","9.392","0.004","90","","97.97","0.03","90","","274.1","0.15","290","2","290","2","","","","","","","","4","P 1 c 1","P -2yc","7","Sodiumhydrogensquaratemonohydrate","sodium 2-hydroxy-3,4-dioxocyclobut-1-en-1-olate hydrate","","- C4 H3 Na O5 -","- C4 H3 Na O5 -","- C8 H6 Na2 O10 -","2","1","OB2016","Nadia Petrova; Boris Shivachev; Tsonko Kolev; Rosica Petrova","Sodium hydrogensquarate monohydrate","Acta Crystallographica Section E","2006","62","6","m1359","m1361","10.1107/S160053680601806X","","","0.71073","MoKα","","0.1029","0.0577","","","0.1235","0.1454","","","","","","1.195","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209271","12.245","0.005","12.245","0.005","27.416","0.013","90","","90","","120","","3560","3","173.1","","","","","","","","","","","5","P 65","P 65","170","","tert-Butoxycarbonyl-L-Leucyll-L-Valine Trichloroethyl Ester (Boc-L-Leu-L-Val-OTce)","","- C18 H31 Cl3 N2 O5 -","- C18 H31 Cl3 N2 O5 -","- C108 H186 Cl18 N12 O30 -","6","1","OB2017","Oku, Hiroyuki; Endo, Teruya; Yamada, Keiichi; Katakai, Ryoichi","<i>tert</i>-Butoxycarbonyl-<small>L</small>-leucyl-<small>L</small>-valine trichloroethyl ester (Boc-<small>L</small>-Leu-<small>L</small>-Val-OTce)","Acta Crystallographica Section E","2006","62","6","o2347","o2349","10.1107/S1600536806017685","","","1.54187","CuKα","","","0.0347","","","","0.0869","","","","","","0.966","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209272","6.8572","0.0014","10.644","0.002","15.78","0.003","90","","100.153","0.014","90","","1133.7","0.4","173.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ethyl 8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylate","","- C13 H12 O5 -","- C13 H12 O5 -","- C52 H48 O20 -","4","1","OB2019","Takahashi, Hajime; Takechi, Haruko; Kubo, Kanji; Matsumoto, Taisuke","Ethyl 8-methoxy-2-oxo-2<i>H</i>-1-benzopyran-3-carboxylate","Acta Crystallographica Section E","2006","62","6","o2553","o2555","10.1107/S1600536806018940","","","1.54187","CuKα","","","0.0442","","","","0.1478","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209273","8.599","0.004","12.951","0.006","27.252","0.012","90","","90","","90","","3035","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-Nomilin chloroform solvate","","- C29 H34 Cl3 O9 -","- C29 H34 Cl3 O9 -","- C116 H136 Cl12 O36 -","4","1","OB3006","Ying Zhang; Xiao-Bing Wang; Ling-Yi Kong","(‒)-Nomilin chloroform solvate","Acta Crystallographica Section E","2006","62","6","o2502","o2504","10.1107/S1600536806018812","","","0.71073","MoKα","","0.1095","0.0535","","","0.129","0.1648","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2209274","10.209","0.002","10.73","0.002","11.075","0.002","101.661","0.003","94.736","0.003","92.709","0.004","1181.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Tetra-μ-benzoato-κ^8^O:O'-bis[(2-benzamidopyridine-κN^1^)copper(II)]","","- C52 H40 Cu2 N4 O10 -","- C52 H40 Cu2 N4 O10 -","- C52 H40 Cu2 N4 O10 -","1","0.5","OM2008","Li-Jun Xiao; Da-Qi Wang","Tetra-μ-benzoato-κ^8^<i>O</i>:<i>O</i>'-bis[(2-benzamidopyridine-κ<i>N</i>^1^)copper(II)]","Acta Crystallographica Section E","2006","62","6","m1268","m1269","10.1107/S1600536806016783","","","0.71073","MoKα","","0.1015","0.0542","","","0.0999","0.1195","","","","","","1.009","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209275","6.1411","0.0011","15.501","0.003","8.5024","0.0017","90","","103.685","0.003","90","","786.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorobis(N-methylaniline)palladium(II)","","- C14 H18 Cl2 N2 Pd -","- C14 H18 Cl2 N2 Pd -","- C28 H36 Cl4 N4 Pd2 -","2","0.5","OM2011","E. Yang; Yao Kang; Gu-Yong Chen","Dichlorobis(<i>N</i>-methylaniline)palladium(II)","Acta Crystallographica Section E","2006","62","6","m1368","m1369","10.1107/S1600536806018472","","","0.71073","MoKα","","","0.0742","","","0.1636","0.1934","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209276","8.5355","0.0012","24.172","0.003","7.6566","0.0011","90","","93.696","0.012","90","","1576.4","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-Dimethyl-1,2,3,4-tetra(2,6-dimethylphenyl isonitrile)","N,N',N'',N'''-Tetrakis(2,6-dimethylphenyl)hexane-2,3,4,5-tetraimine","","- C38 H42 N4 -","- C38 H42 N4 -","- C76 H84 N8 -","2","0.5","OM2014","Loroño-González, Daniel","<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-Tetrakis(2,6-dimethylphenyl)hexane-2,3,4,5-tetraimine","Acta Crystallographica Section E","2006","62","6","o2293","o2294","10.1107/S1600536806016795","","","0.71073","MoKα","","0.0658","0.0605","","","0.132","0.1348","","","","","","1.138","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209277","16.626","0.001","15.7192","0.0009","17.8778","0.0013","90","","109.642","0.002","90","","4400.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-bis(2,2'-bipyridine)diiodocadmium(II)","","- C20 H16 Cd I2 N4 -","- C20 H16 Cd I2 N4 -","- C160 H128 Cd8 I16 N32 -","8","1","OM2015","Guo, Hong-Xu; Lin, Hai-Bin; Wang, Qing-Hua","<i>cis</i>-Bis(2,2'-bipyridine)diiodocadmium(II)","Acta Crystallographica Section E","2006","62","6","m1239","m1240","10.1107/S1600536806015893","","","0.71073","MoKα","","0.0534","0.0356","","","0.1039","0.1105","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209278","17.038","0.006","6.916","0.002","19.16","0.006","90","","99.597","0.006","90","","2226.1","1.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-[4-(4-Chlorobenzyloxy)benzylideneamino]-1,5-dimethyl-2-phenyl- 1H-pyrazol-3(2H)-one","","- C25 H22 Cl N3 O2 -","- C25 H22 Cl N3 O2 -","- C100 H88 Cl4 N12 O8 -","4","1","OM2017","Hu, Tuo-Ping","(<i>E</i>)-4-[4-(4-Chlorobenzyloxy)benzylideneamino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","6","o2270","o2271","10.1107/S1600536806016801","","","0.71073","MoKα","","0.1187","0.0424","","","0.0749","0.0907","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209279","10.383","0.005","15.442","0.005","16.278","0.005","90","","101.135","0.016","90","","2560.8","1.7","113","2","113","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[1,2-Bis(diphenylphosphino)ethane]dinitratopalladium(II)","","- C26 H24 N2 O6 P2 Pd -","- C26 H24 N2 O6 P2 Pd -","- C104 H96 N8 O24 P8 Pd4 -","4","1","OM2018","Adrian, Rafael A.; Zhu, Shourong; Daniels, Lee M.; Tiekink, Edward R. T.; Walmsley, Judith A.","[1,2-Bis(diphenylphosphino)ethane]dinitratopalladium(II)","Acta Crystallographica Section E","2006","62","6","m1422","m1424","10.1107/S1600536806018459","","","0.71073","MoKα","","0.019","0.018","","","0.042","0.046","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209280","12.491","0.003","13.427","0.003","12.984","0.003","90","","105.02","0.03","90","","2103.2","0.9","292","2","292","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetrakis(β-picoline)disilver(I)(Ag—Ag) bis(2-amino-5-chlorobenzenesulfonate) dihydrate","","- C36 H42 Ag2 Cl2 N6 O8 S2 -","- C36 H42 Ag2 Cl2 N6 O8 S2 -","- C72 H84 Ag4 Cl4 N12 O16 S4 -","2","0.5","RN2002","Hua Wu; Xian-Wu Dong; Jian-Fang Ma","Tetrakis(β-picoline)disilver(I)(<i>Ag{—</i>Ag}) bis(2-amino-5-chlorobenzenesulfonate) dihydrate","Acta Crystallographica Section E","2006","62","6","m1227","m1228","10.1107/S1600536806016448","","","0.71073","MoKα","","0.0476","0.0343","","","0.0897","0.0944","","","","","","1.101","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209281","18.376","0.0004","9.5325","0.0002","18.7776","0.0004","90","","100.388","0.001","90","","3235.34","0.12","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Si(Ar''')4","Tetrakis[3,5-bis(trifluoromethyl)phenyl]silane","","- C32 H12 F24 Si -","- C32 H12 F24 Si -","- C128 H48 F96 Si4 -","4","1","RN2003","Agnew, Caroline; Dillon, Keith B.; Goeta, Andrés E.; Thompson, Amber L.","Tetrakis[3,5-bis(trifluoromethyl)phenyl]silane","Acta Crystallographica Section E","2006","62","6","o2344","o2346","10.1107/S1600536806017417","","","0.71073","MoKα","","0.0823","0.0514","","","0.1344","0.1577","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209282","14.96","0.003","12.33","0.003","7.3565","0.0015","90","","100.24","0.03","90","","1335.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-methylpyridine N-oxide Saccharin","4-methylpyridine N-oxide‒saccharin (1/1)","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","RN2004","Binoy K. Saha; Rahul Banerjee; Ashwini Nangia; Gautam R. Desiraju","A 1:1 molecular complex of 4-methylpyridine <i>N</i>-oxide and saccharin","Acta Crystallographica Section E","2006","62","6","o2283","o2284","10.1107/S1600536806013444","","","0.71073","MoKα","","0.083","0.0467","","","0.102","0.1186","","","","","","1.015","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209283","13.892","0.003","7.256","0.0015","18.912","0.004","90","","95.86","0.03","90","","1896.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[5-(3,5-Dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4- methoxyphenyl)thiazolidin-4-one","","- C20 H19 N3 O2 S2 -","- C20 H19 N3 O2 S2 -","- C80 H76 N12 O8 S8 -","4","1","RN2005","Wan, Rong; Wu, Feng; Cao, Lin; Wang, Jin-Tang","3-[5-(3,5-Dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)thiazolidin-4-one","Acta Crystallographica Section E","2006","62","6","o2115","o2116","10.1107/S1600536806013213","","","0.71073","MoKα","","0.0623","0.0451","","","0.1312","0.1455","","","","","","1.032","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209284","12.4352","0.0007","14.7412","0.0008","16.5795","0.0009","90","","90","","90","","3039.2","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[1,3-bis(pentafluorophenyl)triazenido]tricarbonylosmium","","- C27 F20 N6 O3 Os -","- C27 F20 N6 O3 Os -","- C108 F80 N24 O12 Os4 -","4","1","RN6079","Sun, Bai-Wang; Liu, Hui; Yang, Guo-Ying; Ang. Siau Gek; Ang, How Ghee","Bis[1,3-bis(pentafluorophenyl)triazenido]tricarbonylosmium(II)","Acta Crystallographica Section E","2006","62","6","m1329","m1331","10.1107/S1600536806017430","","","0.71073","MoKα","","0.0238","0.0222","","","0.0553","0.0654","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209285","4.722","0.001","20.087","0.004","12.824","0.003","90","","91.13","0.03","90","","1216.1","0.5","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(Methoxymethyl)pyrene","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","RN6081","Weber, Edwin; Gruber, Tobias; Seichter, Wilhelm","1-(Methoxymethyl)pyrene","Acta Crystallographica Section E","2006","62","6","o2569","o2570","10.1107/S1600536806019489","","","0.71073","MoKα","","0.0593","0.0457","","","0.1309","0.1419","","","","","","0.966","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209286","15.998","0.004","5.2993","0.0014","12.336","0.003","90","","111.215","0.004","90","","974.9","0.4","294","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorobenzylidene)tetrahydrofuran-2-one","","- C11 H9 Cl O2 -","- C11 H9 Cl O2 -","- C44 H36 Cl4 O8 -","4","1","RN6082","Lan Mo; Wei Wang; Qiang Li; Xiao-Guang Jia","3-(4-Chlorobenzylidene)tetrahydrofuran-2-one","Acta Crystallographica Section E","2006","62","6","o2158","o2159","10.1107/S1600536806015790","","","0.71073","MoKα","","0.0923","0.0442","","","0.0993","0.1178","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209287","15.467","0.004","14.971","0.004","18.847","0.004","90","","109.064","0.005","90","","4124.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[[(dipyrido[3,2-a:2',3'-c]phenazine)cadmium]-μ- benzene-1,3-dicarboxylato]","","- C26 H14 Cd N4 O4 -","- C26 H14 Cd N4 O4 -","- C208 H112 Cd8 N32 O32 -","8","1","RN6084","Chuan-Bi Li; Wei Fang; Guang-Gang Gao; Bo Liu","A cadmium coordination polymer containing helical chains: <i>catena</i>-poly[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)cadmium]-μ-benzene-1,3-dicarboxylato]","Acta Crystallographica Section E","2006","62","6","m1312","m1314","10.1107/S1600536806017442","","","0.71073","MoKα","","0.0392","0.0303","","","0.0692","0.0748","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209288","11.6558","0.0007","7.9917","0.0006","16.0978","0.001","90","","118.619","0.004","90","","1316.3","0.16","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-[1-(3-Amino-2-methylphenylimino)ethyl]phenol","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","RZ2021","Mehmet Akkurt; Selvi Karaca; Ali Asghar Jarrahpour; Shadab Rezaei; Orhan Büyükgüngör","(<i>E</i>)-2-[1-(3-Amino-2-methylphenylimino)ethyl]phenol","Acta Crystallographica Section E","2006","62","6","o2156","o2157","10.1107/S1600536806015650","","","0.71073","MoKα","","0.0508","0.0413","","","0.1086","0.1141","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209289","12.549","0.004","12.313","0.004","8.2","0.002","90","","90","","90","","1267","0.7","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","AuDPA","Dichloro(di-2-pyridylamine)gold(III) chloride","","- C10 H9 Au Cl3 N3 -","- C10 H9 Au Cl3 N3 -","- C40 H36 Au4 Cl12 N12 -","4","0.5","RZ2023","Shi, Peng-Fei; Jiang, Qin","Dichloro(di-2-pyridylamine)gold(III) chloride","Acta Crystallographica Section E","2006","62","6","m1183","m1185","10.1107/S1600536806014255","","","0.71073","MoKα","","0.0334","0.0309","","","0.0799","0.0815","","","","","","1.1","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209291","7.251","0.004","14.756","0.009","20.55","0.02","90","","90","","90","","2199","3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ophiobolin A","(2'S,3'S,3aR,5'R,6aS,9R,9aS,10aR)-1,3a,4,4',5',6a,7,8,9,9a,10,10a- dodecahydro-9-hydroxy-3',9,10a-trimethyl-5'-(2-methylpropen-1-yl)-7- oxospiro[dicyclopenta[a,d]cyclooctene-3(2H),2'(3'H)-furan]-6-carbaldehyde","","- C25 H36 O4 -","- C25 H36 O4 -","- C100 H144 O16 -","4","1","RZ2027","Anna Andolfi; Antonio Evidente; Antonello Santini; Angela Tuzi","Ophiobolin A","Acta Crystallographica Section E","2006","62","6","o2195","o2197","10.1107/S1600536806015807","","","0.71073","MoKα","","0.1198","0.0538","","","0.0916","0.1136","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209292","11.439","0.002","11.648","0.002","12.055","0.002","74.377","0.004","82.844","0.003","75.982","0.003","1497.8","0.4","198","1","198","1","","","","","","","","5","P -1","-P 1","2","","N-[(Benzylcarbamoyl)(phenyl)methyl]-N-[3-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)phenyl]benzamide","","- C34 H35 B N2 O4 -","- C34 H35 B N2 O4 -","- C68 H70 B2 N4 O8 -","2","1","RZ2028","Andreas Decken; Johanna M. Blacquiere; Christopher M. Vogels; Stephen A. Westcott","<i>N</i>-[(Benzylcarbamoyl)(phenyl)methyl]-<i>N</i>-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide","Acta Crystallographica Section E","2006","62","6","o2207","o2208","10.1107/S1600536806016126","","","0.71073","MoKα","","0.0851","0.0574","","","0.1512","0.1645","","","","","","0.985","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209293","28.01","0.02","6.199","0.005","23.535","0.018","90","","119.199","0.009","90","","3567","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Chloro-4-(2-chlorobenzoylhydrazino)methylidene-3-methyl-1-phenyl-1H-pyrazole","","- C18 H14 Cl2 N4 O -","- C18 H14 Cl2 N4 O -","- C144 H112 Cl16 N32 O8 -","8","1","RZ2029","Li-Rong Wen; Wen-Ying Qi; Zheng-Quan Zuo; Ming Li","5-Chloro-4-[(2-chlorobenzoylhydrazono)methyl]-3-methyl-1-phenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2006","62","6","o2516","o2517","10.1107/S1600536806019131","","","0.71073","MoKα","","0.0452","0.0348","","","0.0973","0.1024","","","","","","1.086","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209294","10.288","0.004","9.992","0.003","11.983","0.004","90","","101.552","0.006","90","","1206.9","0.7","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-tert-Butyl-5-{[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl- tetrahydrofuro[2,3-d][1,3]dioxol-6-yloxy]methyl}-2-hydroxybenzaldehyde","","- C24 H34 O8 -","- C24 H34 O8 -","- C48 H68 O16 -","2","1","RZ2030","Zhao, Shan-Shan; Zhao, Ji-Quan; Zhao, Dong-Min","3-<i>tert</i>-Butyl-5-{[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-tetrahydrofuro[2,3-<i>d</i>][1,3]dioxol-6-yloxy]methyl}-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2006","62","6","o2537","o2538","10.1107/S1600536806019209","","","0.71073","MoKα","","0.0754","0.0445","","","0.1067","0.1262","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209295","6.1538","0.0006","7.3047","0.0008","10.3364","0.0012","97.729","0.003","95.974","0.004","91.417","0.003","457.56","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","piperazine-2,3,5,6-tetrayl tetrahydroperoxide pyrazine disolvate dihydrate","","- C12 H22 N6 O10 -","- C12 H22 N6 O10 -","- C12 H22 N6 O10 -","1","0.5","RZ2031","Churakov, Andrei V.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The first molecular structure containing four hydroperoxo groups: piperazine-2,3,5,6-tetrayl tetrahydroperoxide pyrazine disolvate dihydrate","Acta Crystallographica Section E","2006","62","6","o2265","o2267","10.1107/S1600536806016485","","","0.71073","MoKα","","0.0516","0.0372","","","0.0822","0.0898","","","","","","0.992","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209296","18.82","0.002","5.3367","0.0006","19.027","0.002","90","","90","","90","","1911","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1-(4-chlorobenzoyl)ethyl nicotinate","","- C21 H15 Cl N4 O3 -","- C21 H15 Cl N4 O3 -","- C84 H60 Cl4 N16 O12 -","4","1","RZ2032","Jun Wan; Zheng-Zhong Peng; Xue-Mei Li; Ping-Kai Ouyang; Shu-Sheng Zhang","2-(1<i>H</i>-1,2,3-Benzotriazol-1-ylmethyl)-1-(4-chlorobenzoyl)ethyl nicotinate","Acta Crystallographica Section E","2006","62","6","o2302","o2303","10.1107/S1600536806017065","","","0.71073","MoKα","","0.0617","0.0434","","","0.0812","0.0891","","","","","","1.009","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209297","4.706","0.0012","14.372","0.004","18.225","0.005","90","","91.228","0.004","90","","1232.4","0.6","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Chloro-2-(2-hydroxybenzylideneamino)benzonitrile","","- C14 H9 Cl N2 O -","- C14 H9 Cl N2 O -","- C56 H36 Cl4 N8 O4 -","4","1","RZ2034","Cheng, Kui; Zhu, Hai-Liang; Li, Zhi-Bin; Yan, Zheng","5-Chloro-2-(2-hydroxybenzylideneamino)benzonitrile","Acta Crystallographica Section E","2006","62","6","o2417","o2418","10.1107/S1600536806018320","","","0.71073","MoKα","","0.1024","0.0735","","","0.1546","0.1675","","","","","","1.099","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209298","7.687","0.001","19.102","0.003","13.841","0.002","90","","118.452","0.003","90","","1786.9","0.4","298","2","298","2","","","","","","","","7","P 1 c 1","P -2yc","7","","Dibromo{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}zinc(II)","","- C13 H18 Br2 Cl2 N2 O Zn -","- C13 H18 Br2 Cl2 N2 O Zn -","- C52 H72 Br8 Cl8 N8 O4 Zn4 -","4","2","RZ2041","San-Jun Peng; Cong-Shan Zhou; Tao Yang","Dibromo{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2006","62","6","m1413","m1415","10.1107/S1600536806019222","","","0.71073","MoKα","","0.1236","0.0657","","","0.109","0.1295","","","","","","0.943","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209299","7.5005","0.0003","9.1759","0.0004","25.0388","0.001","90","","90","","90","","1723.27","0.12","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","1,4-Diazoniabicyclo[2.2.2]octane tetraaquatetrachlorolanthanate(III) chloride","","- C6 H22 Cl5 La N2 O4 -","- C6 H22 Cl5 La N2 O4 -","- C24 H88 Cl20 La4 N8 O16 -","4","0.5","SG2023","Ritchie, Lyndsey K.; Harrison, William T. A.","1,4-Diazoniabicyclo[2.2.2]octane tetraaquatetrachlorolanthanate(III) chloride","Acta Crystallographica Section E","2006","62","6","m1255","m1257","10.1107/S1600536806016898","","","0.71073","MoKα","","0.0245","0.0201","","","0.043","0.0442","","","","","","1.135","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209300","7.0199","0.001","8.0368","0.0012","11.5897","0.0016","97.019","0.002","103.741","0.002","102.156","0.002","610.61","0.15","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","3-[(3,4,5-Tribromo-1H-pyrrol-2-ylcarbonyl)amino]propanoic acid","","- C8 H7 Br3 N2 O3 -","- C8 H7 Br3 N2 O3 -","- C16 H14 Br6 N4 O6 -","2","1","SG2024","Xiang-Chao Zeng; Li-Hong Li; Yao-Lan Li; Po-Run Liu","3-[(3,4,5-Tribromo-1<i>H</i>-pyrrol-2-ylcarbonyl)amino]propanoic acid","Acta Crystallographica Section E","2006","62","6","o2272","o2273","10.1107/S1600536806016904","","","0.71073","MoKα","","0.0528","0.0373","","","0.1004","0.1105","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209301","9.5058","0.0002","10.518","0.0002","12.7195","0.0002","84.5138","0.0009","88.4554","0.0008","78.6724","0.0008","1241.19","0.04","173","","173","","","","","","","","","6","P -1","-P 1","2","","N^2^-(2,6-Dibromo-4-nitrophenyl)-N^1^,N^1^-diethyl-2- (triisopropylsilyl)ethanamidine","","- C21 H35 Br2 N3 O2 Si -","- C21 H35 Br2 N3 O2 Si -","- C42 H70 Br4 N6 O4 Si2 -","2","1","SG2025","Constable, Edwin C.; Gusmeroli, D.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","<i>N</i>^2^-(2,6-Dibromo-4-nitrophenyl)-<i>N</i>^1^,<i>N</i>^1^-diethyl-2-(triisopropylsilyl)ethanamidine","Acta Crystallographica Section E","2006","62","6","o2297","o2299","10.1107/S1600536806016886","","","0.71073","MoKα","","0.0368","0.022","","0.0305","0.022","0.022","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209302","8.941","0.001","6.996","0.001","13.491","0.002","90","","97.34","0.01","90","","837","0.2","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Spiro[cyclopropane-1,1'-1H-inden]-2'(3'H)-one'","","- C11 H9 O -","- C11 H9 O -","- C44 H36 O4 -","4","1","SG2026","Mutikainen Ilpo; Yli-Kauhaluoma, Jari; Salakari, Anja","Spiro[cyclopropane-1,1'-1<i>H</i>-inden]-2'(3'<i>H</i>)-one","Acta Crystallographica Section E","2006","62","6","o2415","o2416","10.1107/S1600536806017739","","","0.71073","MoKα","","0.0724","0.051","","","0.1276","0.138","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2209303","15.657","0.002","9.6399","0.0014","9.5673","0.0014","90","","95.606","0.002","90","","1437.1","0.3","292","2","292","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1-(2-Chlorobenzoyl)-3-(5-trifluoromethyl-1,3,4-thiadiazol-2-yl)urea","","- C11 H6 Cl F3 N4 O2 S -","- C11 H6 Cl F3 N4 O2 S -","- C44 H24 Cl4 F12 N16 O8 S4 -","4","1","SG2027","Tan, Xiao-Hong; Sang, Qiu-Zhang; Song, Xin-Jian","1-(2-Chlorobenzoyl)-3-(5-trifluoromethyl-1,3,4-thiadiazol-2-yl)urea","Acta Crystallographica Section E","2006","62","6","o2473","o2474","10.1107/S1600536806018149","","","0.71073","MoKα","","0.0634","0.0447","","","0.1165","0.126","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209304","10.0666","0.0012","10.2989","0.0014","11.5496","0.0015","111.146","0.013","96.06","0.011","111.332","0.014","1000.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[[(2,2'-diamino-4,4'-bithiazole-κ^2^N,N')diaquamanganese(II)]-μ- terephthalato-κ^2^O:O'] dihydrate]","","- C14 H18 Mn N4 O8 S2 -","- C14 H18 Mn N4 O8 S2 -","- C28 H36 Mn2 N8 O16 S4 -","2","1","SG2028","Bing-Xin Liu; Hang-Qun Ge; Duan-Jun Xu","<i>catena</i>-Poly[[[diaqua(2,2'-diamino-4,4'-bithiazole-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-terephthalato-κ^2^<i>O</i>:<i>O</i>'] dihydrate]","Acta Crystallographica Section E","2006","62","6","m1439","m1441","10.1107/S160053680601899X","","","0.71073","MoKα","","0.041","0.034","","","0.078","0.082","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209305","7.157","0.003","8.44","0.004","10.193","0.005","90","","95.631","0.008","90","","612.7","0.5","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S,S)-2,2'-(1,2-Ethanediyldiimino)dibutan-1-ol","","- C10 H24 N2 O2 -","- C10 H24 N2 O2 -","- C20 H48 N4 O4 -","2","1","SJ2043","Bai, Guo-Yi; Zhang, Chen-Fang; Zhang, Yue-Cheng; Zeng, Tao; Li, Jiang-Sheng","(<i>S</i>,<i>S</i>)-2,2'-(1,2-Ethanediyldiimino)dibutan-1-ol","Acta Crystallographica Section E","2006","62","6","o2173","o2174","10.1107/S1600536806015352","","","0.71073","MoKα","","0.0606","0.0406","","","0.0914","0.1022","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209306","8.6904","0.0015","13.096","0.002","11.59","0.002","90","","93.961","0.003","90","","1315.9","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3-Thienylmethyl)-1,8-naphthalimide","","- C17 H11 N O2 S -","- C17 H11 N O2 S -","- C68 H44 N4 O8 S4 -","4","1","SJ2050","Yu-Quan, Shi; Bin Chen","<i>N</i>-(3-Thienylmethyl)-1,8-naphthalimide","Acta Crystallographica Section E","2006","62","6","o2200","o2201","10.1107/S1600536806015364","","","0.71073","MoKα","","0.0644","0.0357","","","0.0831","0.0972","","","","","","1.012","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2209307","11.037","0.003","9.56","0.003","19.64","0.005","90","","93.54","0.02","90","","2068.3","1","287","2","287","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","8-Acetonyldihydronitidine","(<i>RS</i>)-13-acetonyl-2,3-dimethoxy-12-methyl-12,13-dihydro- 1,3-benzodioxolo[5,6-c]phenanthridine","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","SJ2051","Xiao-Ling Wang; Kai-Bei Yu; Qi-Fa Li; Shu-Lin Peng; Li-Sheng Ding","8-Acetonyldihydronitidine","Acta Crystallographica Section E","2006","62","6","o2247","o2248","10.1107/S1600536806016369","","","0.71073","MoKα","","0.0716","0.0431","","","0.1096","0.1179","","","","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209308","5.3207","0.0007","5.3723","0.0007","20.5227","0.0019","90","","101.437","0.003","90","","574.98","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Diphenyloxalamide","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","0.5","SJ2052","Yong-Hong Wen; Xue-Mei Li; Long Wang; Shu-Sheng Zhang","<i>N</i>,<i>N</i>'-Diphenyloxalamide","Acta Crystallographica Section E","2006","62","6","o2185","o2186","10.1107/S1600536806015972","","","0.71073","MoKα","","0.0393","0.0367","","","0.1004","0.1031","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209309","7.843","0.001","8.111","0.001","14.218","0.003","96.987","0.004","97.015","0.004","103.514","0.004","862.2","0.2","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","Poly[diaqua-μ~6~-succinato-di-μ~5~-succinato-dineodymium(III)]","","- C12 H16 Nd2 O14 -","- C12 H16 Nd2 O14 -","- C24 H32 Nd4 O28 -","2","1","SJ2053","Qin He; Jun-Feng Zi; Fu-Juan Zhang","Poly[diaqua-μ~6~-succinato-di-μ~5~-succinatodineodymium(III)]","Acta Crystallographica Section E","2006","62","6","m1266","m1267","10.1107/S1600536806016278","","","0.71073","MoKα","","0.0161","0.0144","","","0.0366","0.0372","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209310","10.227","0.004","10.288","0.004","12.119","0.005","105.941","0.006","109.636","0.006","103.438","0.006","1078","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis[1-(2-hydroxyethyliminomethyl)-2-naphtholato-κ^2^N,O]nickel(II)","","- C26 H24 N2 Ni O4 -","- C26 H24 N2 Ni O4 -","- C52 H48 N4 Ni2 O8 -","2","1","SJ2054","Liu, Hui-Yan; Gao, Feng; Lu, Zai-Sheng; Wang, Hai-Ying","Bis[1-(2-hydroxyethyliminomethyl)-2-naphtholato-κ^2^<i>N</i>,<i>O</i>]nickel(II)","Acta Crystallographica Section E","2006","62","6","m1306","m1308","10.1107/S1600536806017041","","","0.71073","MoKα","","0.1052","0.0522","","","0.1026","0.1236","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209311","29.8577","0.0004","5.6198","0.0001","16.114","0.0002","90","","116.892","0.001","90","","2411.45","0.07","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N-(6-chloropyridazin-3-yl)-4-methylbenzenesulfonamide","","- C11 H10 Cl N3 O2 S -","- C11 H10 Cl N3 O2 S -","- C88 H80 Cl8 N24 O16 S8 -","8","1","SJ2055","Hoong-Kun Fun; Shu-Feng Zhang; Zhen-Feng Chen; Hong Liang; Suchada Chantrapromma","<i>N</i>-(6-Chloropyridazin-3-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2006","62","6","o2178","o2180","10.1107/S1600536806015832","","","0.71073","MoKα","","0.0572","0.0499","","","0.1505","0.1586","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209312","15.4427","0.0002","13.9304","0.0002","5.8527","0.0001","90","","91.962","0.001","90","","1258.31","0.03","100","0.1","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-en-1-one","","- C15 H10 Br Cl O -","- C15 H10 Br Cl O -","- C60 H40 Br4 Cl4 O4 -","4","1","SJ2056","Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; Venkataraya Shettigar; P. S. Patil; S. M. Dharmaprakash","3-(4-Bromophenyl)-1-(4-chlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","6","o2175","o2177","10.1107/S1600536806015844","","","0.71073","MoKα","","0.0819","0.0418","","","0.0915","0.1181","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209313","7.8442","0.0012","18.365","0.003","10.7516","0.0018","90","","105.781","0.007","90","","1490.5","0.4","294","2","294","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1-[4,6-Dimethoxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","SJ2057","Xiao-Xiao Li; Yu-Ping Wei; Ye-Fei Nan; Chang-Hua Hua; Liang-Dong Sun","1-[2-(4-Hydroxyphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]ethanone","Acta Crystallographica Section E","2006","62","6","o2385","o2386","10.1107/S160053680601734X","","","0.7107","MoKα","","0.0709","0.048","","","0.1328","0.1471","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209314","13.398","0.006","15.838","0.007","14.68","0.007","90","","101.979","0.008","90","","3047","2","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[1-(4-Fluorophenyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl]ethanone","","- C19 H16 F N O -","- C19 H16 F N O -","- C152 H128 F8 N8 O8 -","8","2","SJ2058","Chopra, Deepak; Nagarajan, K.; Guru Row, T. N.","1-[1-(4-Fluorophenyl)-2-methyl-5-phenyl-1<i>H</i>-pyrrol-3-yl]ethanone","Acta Crystallographica Section E","2006","62","6","o2256","o2258","10.1107/S1600536806016576","","","0.71073","MoKα","","0.0567","0.042","","","0.1104","0.1204","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209315","32.5958","0.0004","9.6895","0.0001","19.617","0.0002","90","","94.476","0.001","90","","6176.88","0.12","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-Dichlorobis(triphenylphosphine-κP)platinum(II)","","- C36 H30 Cl2 P2 Pt -","- C36 H30 Cl2 P2 Pt -","- C288 H240 Cl16 P16 Pt8 -","8","2","SJ2059","Hoong-Kun Fun; Suchada Chantrapromma; Yan-Cheng Liu; Zhen-Feng Chen; Hong Liang","<i>cis</i>-Dichlorobis(triphenylphosphine-κ<i>P</i>)platinum(II)","Acta Crystallographica Section E","2006","62","6","m1252","m1254","10.1107/S1600536806016540","","","0.71073","MoKα","","0.0564","0.0314","","","0.061","0.0713","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209316","3.988","0.002","11.01","0.007","11.156","0.007","97.078","0.009","90.238","0.01","100.049","0.01","478.5","0.5","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","3-acetyl-6-chloro-2H-chromen-2-one","","- C11 H7 Cl O3 -","- C11 H7 Cl O3 -","- C22 H14 Cl2 O6 -","2","1","SJ2060","Deepak Chopra; K. N. Venugopal; B. S. Jayashree; T. N. Guru Row","3-Acetyl-6-chloro-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2006","62","6","o2310","o2312","10.1107/S1600536806016990","","","0.71073","MoKα","","0.0335","0.0315","","","0.0877","0.0899","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209317","13.763","0.0002","13.6545","0.0002","5.7263","0.0001","90","","98.456","0.001","90","","1064.43","0.03","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)3-(2-furyl)prop-2-en-1-one","","- C13 H9 Cl O2 -","- C13 H9 Cl O2 -","- C52 H36 Cl4 O8 -","4","1","SJ2061","Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","1-(4-Chlorophenyl)-3-(2-furyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","6","o2261","o2262","10.1107/S1600536806016552","","","0.71073","MoKα","","0.0773","0.0542","","","0.1565","0.1771","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209318","21.87","0.005","8.762","0.002","11.788","0.003","90","","95.964","0.003","90","","2246.6","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{2-[(4-chlorophenylimino)methyl]phenolato}iron(II)","","- C26 H18 Cl2 Fe N2 O2 -","- C26 H18 Cl2 Fe N2 O2 -","- C104 H72 Cl8 Fe4 N8 O8 -","4","0.5","SJ2064","Xia Bao; Feng-Wu Wang; Yi-Jun Wei","Bis{2-[(4-chlorophenylimino)methyl]phenolato}iron(II)","Acta Crystallographica Section E","2006","62","6","m1298","m1300","10.1107/S1600536806017247","","","0.71073","MoKα","","0.0851","0.0523","","","0.0963","0.1075","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209319","7.6621","0.0018","8.0381","0.0018","10.616","0.002","87.387","0.017","78.177","0.018","78.456","0.018","627","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","3-(4-methyl-3-pyridylamino)phthalide","3-(4-methylpyridin-2-ylamino)isobenzofuran-1(3H)-one","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","1","SJ2066","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(4-Methylpyridin-2-ylamino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","6","o2316","o2317","10.1107/S160053680601717X","","","0.71073","MoKα","","0.1235","0.0795","","","0.201","0.2371","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209320","8.289","0.0017","8.388","0.0017","30.875","0.006","90","","90","","90","","2146.7","0.7","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","magnolin","1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)perhydrofuro[3,4-c]furan","","- C23 H28 O7 -","- C23 H28 O7 -","- C92 H112 O28 -","4","1","SJ2068","Li Zhang; Yang Lu; Qi-Tai Zheng","1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)perhydrofuro[3,4-<i>c</i>]furan","Acta Crystallographica Section E","2006","62","6","o2460","o2461","10.1107/S1600536806018460","","","0.71073","MoKα","","0.0542","0.052","","","0.15","0.154","","","","","","1.157","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209321","9.608","0.0012","6.8998","0.0009","15.3291","0.0014","90","","125.755","0.005","90","","824.68","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Carbamoyl-3-nitrobenzoic acid","","- C8 H6 N2 O5 -","- C8 H6 N2 O5 -","- C32 H24 N8 O20 -","4","1","SJ2072","Xue-Mei Li; Shan-Shan Gu; Qiang Xu; Shu-Sheng Zhang","2-Carbamoyl-3-nitrobenzoic acid","Acta Crystallographica Section E","2006","62","6","o2539","o2540","10.1107/S1600536806018836","","","0.71073","MoKα","","0.0648","0.0567","","","0.1615","0.1697","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209322","11.108","0.002","25.481","0.005","4.0203","0.0008","90","","90","","90","","1137.9","0.4","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Amino-3-(4-methoxybenzylideneamino)butenedinitrile","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","1","SJ2073","Wu, Chang-Ju; Zhang, Xia; Zhang, Gui-Qiu; Liu, Lian-Dong; Shi, Jing-Min","2-Amino-3-(4-methoxybenzylideneamino)butenedinitrile","Acta Crystallographica Section E","2006","62","6","o2571","o2572","10.1107/S160053680601960X","","","0.71073","MoKα","","0.0496","0.0476","","","0.1239","0.1266","","","","","","1.312","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209323","8.6851","0.0011","28.485","0.003","5.4644","0.0005","90","","90","","90","","1351.9","0.3","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","3-(4-ethoxyanilino)phthalide","3-(4-ethoxyanilino)isobenzofuran-1(3H)-one","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","SJ2076","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(4-Ethoxyanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","6","o2558","o2559","10.1107/S1600536806019350","","","0.71073","MoKα","","0.0805","0.0404","","","0.0716","0.0823","","","","","","0.954","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209324","5.5319","0.0009","8.6962","0.0014","19.364","0.004","90","","90","","90","","931.5","0.3","297","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-1-Phenylethanaminium bromide","","- C8 H12 Br N -","- C8 H12 Br N -","- C32 H48 Br4 N4 -","4","1","SJ2077","Andreas Fischer","(<i>R</i>)-1-Phenylethanaminium bromide","Acta Crystallographica Section E","2006","62","6","o2556","o2557","10.1107/S1600536806019362","","","0.71073","MoKα","","0.088","0.049","","","0.071","0.081","","","","","","1.16","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209325","15.5442","0.0002","3.8939","0.0001","21.6258","0.0003","90","","120.33","0.001","90","","1129.8","0.04","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,4-Dichlorophenyl)-3-(2-furyl)prop-2-en-1-one","","- C13 H8 Cl2 O2 -","- C13 H8 Cl2 O2 -","- C52 H32 Cl8 O8 -","4","1","SJ2078","Mohd Mustaqim Rosli; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","1-(2,4-Dichlorophenyl)-3-(2-furyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","6","o2520","o2522","10.1107/S1600536806018794","","","0.71073","MoKα","","0.0686","0.0421","","","0.0976","0.1126","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209326","9.3464","0.0018","9.4021","0.0018","10.422","0.002","108.58","0.003","98.301","0.004","103.722","0.004","818.9","0.3","273","","273","","","","","","","","","3","P -1","-P 1","2","","4-{3,5-Dimethyl-4-[(E)-(4-methylphenyl)diazenyl]-1H-pyrazol-1-yl}benzonitrile","","- C19 H17 N5 -","- C19 H17 N5 -","- C38 H34 N10 -","2","1","SJ2079","Bustos, Carlos; Schott, Eduardo; Mac-Leod-Carey, Desmond A.; Ibañez, Andres; Alvarez-Thon, Luis","4-{3,5-Dimethyl-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]-1<i>H</i>-pyrazol-1-yl}benzonitrile","Acta Crystallographica Section E","2006","62","6","o2499","o2501","10.1107/S1600536806019052","","","0.71073","MoKα","","0.127","0.072","","","0.123","0.141","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209327","11.9991","0.0009","7.1804","0.0005","16.2195","0.0011","90","","92.646","0.003","90","","1395.96","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chloro(2-oxidobenzaldehyde 2-thienylcarbonylhydrazone)copper(II) monohydrate","","- C12 H11 Cl Cu N2 O3 S -","- C12 H11 Cl Cu N2 O3 S -","- C48 H44 Cl4 Cu4 N8 O12 S4 -","4","1","TK2025","Yong Lu; Jing Chen; Wen-Shi Wu; Jing-Cao Dai; Jian-Ming Lin","Chloro(2-oxidobenzaldehyde 2-thienylcarbonylhydrazone)copper(II) monohydrate","Acta Crystallographica Section E","2006","62","6","m1291","m1292","10.1107/S1600536806016965","","","0.71073","MoKα","","0.034","0.03","","","0.084","0.088","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209328","6.163","0.0006","6.9607","0.0005","18.3251","0.001","90","","90","","90","","786.12","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sulfanilic acid monohydrate","sulfanilic acid monohydrate","","- C6 H9 N O4 S -","- C6 H9 N O4 S -","- C24 H36 N4 O16 S4 -","4","1","TK2027","Afroza Banu; G. M. Golzar Hossain","A new polymorph of sulfanilic acid monohydrate","Acta Crystallographica Section E","2006","62","6","o2252","o2253","10.1107/S1600536806016060","","","0.71073","MoKα","","0.047","0.035","","","0.087","0.092","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209329","7.8374","0.0016","20.84","0.004","7.528","0.0015","90","","92.95","0.03","90","","1227.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,7-phenanthrolin-4-ium perrhenate","","- C12 H9 N2 O4 Re -","- C12 H9 N2 O4 Re -","- C48 H36 N8 O16 Re4 -","4","1","TK2028","Li Xian-Ping; Mei Guang-Quan; Huang Hai-Ping; Li Yi-Zhi","4,7-Phenanthrolin-4-ium perrhenate","Acta Crystallographica Section E","2006","62","6","m1281","m1282","10.1107/S1600536806016771","","","0.71073","MoKα","","0.04","0.026","","","0.056","0.06","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209330","14.185","0.003","5.2973","0.0011","18.661","0.004","90","","101.26","0.03","90","","1375.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1R,5R,6R)-Ethyl 3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","TK2033","Wu, Jie-Hua; Zhang, Chun-Tao; Zhou, Li-Na; Wang, Jing-Kang","(1<i>R</i>,5<i>R</i>,6<i>R</i>)-Ethyl 3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate","Acta Crystallographica Section E","2006","62","6","o2331","o2332","10.1107/S1600536806017132","","","0.71073","MoKα","","0.063","0.046","","","0.144","0.157","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209331","7.708","0.005","9.503","0.006","14.016","0.009","86.064","0.011","84.31","0.012","81.41","0.012","1008.6","1.1","273","2","298","2","","","","","","","","5","P -1","-P 1","2","","5-[(2-Benzylideneethylidene)amino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]- 1H-pyrazole-3-carbonitrile","","- C20 H11 Cl2 F3 N4 -","- C20 H11 Cl2 F3 N4 -","- C40 H22 Cl4 F6 N8 -","2","1","TK2034","Li, Shu-Yan; Zhong, Ping; Hu, Mao-Lin; Luo, Yi; Li, Jin-Hai","5-[(2-Benzylideneethylidene)amino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2006","62","6","o2333","o2334","10.1107/S1600536806017144","","","0.71073","MoKα","","0.064","0.052","","","0.12","0.129","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209332","20.559","0.006","20.559","0.006","10.053","0.007","90","","90","","90","","4249","3","173","2","173","2","","","","","","","","4","I -4","I -4","82","","catena-Poly[-tri-n-butyltin(IV)]-μ-cyclopent-2-enylacetato-κ^2^O:O']","","- C19 H36 O2 Sn -","- C19 H36 O2 Sn -","- C152 H288 O16 Sn8 -","8","1","TK2035","Ahmad, Aftab; Khan, Azim; Ali, Saqib; Parvez, Masood","<i>catena</i>-Poly[[tri-<i>n</i>-butyltin(IV)]-μ-cyclopent-2-enylacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","6","m1192","m1194","10.1107/S1600536806015194","","","0.71073","MoKα","","0.037","0.028","","","0.059","0.062","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209333","9.3636","0.0008","9.4834","0.0008","12.6509","0.0012","75.558","0.007","82.798","0.007","73.581","0.007","1041.7","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","","1,3-Bis(4-methylbenzyl)benzimidazolium chloride monohydrate","","- C23 H25 Cl N2 O -","- C23 H25 Cl N2 O -","- C46 H50 Cl2 N4 O2 -","2","1","TK2037","Şerife Pınar; Mehmet Akkurt; Hasan Küçükbay; Nihat Şireci; Orhan Büyükgüngör","1,3-Bis(4-methylbenzyl)benzimidazolium chloride monohydrate","Acta Crystallographica Section E","2006","62","6","o2223","o2225","10.1107/S1600536806016084","","","0.71073","MoKα","","0.093","0.059","","","0.139","0.16","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209334","12.4021","0.0012","9.2723","0.0009","14.5212","0.0015","90","","107.379","0.008","90","","1593.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1-(3-Chlorobenzoyl)-3-(2,4,6-trichlorophenyl)thiourea","1-(3-Chlorobenzoyl)-3-(2,4,6-trichlorophenyl)thiourea","","- C14 H8 Cl4 N2 O S -","- C14 H8 Cl4 N2 O S -","- C56 H32 Cl16 N8 O4 S4 -","4","1","TK2039","Khawar Rauf, M.; Badshah, Amin; Bolte, Michael","1-(3-Chlorobenzoyl)-3-(2,4,6-trichlorophenyl)thiourea","Acta Crystallographica Section E","2006","62","6","o2444","o2445","10.1107/S1600536806018484","","","0.71073","MoKα","","0.041","0.034","","","0.084","0.087","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209335","7.499","0.002","15.365","0.005","15.647","0.004","90","","90","","90","","1802.9","0.9","298","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","13-Methyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro- 1H-cyclopenta[a]phenanthren-17-yl 2-chloroacetate","","- C20 H25 Cl O3 -","- C20 H25 Cl O3 -","- C80 H100 Cl4 O12 -","4","1","TK2040","Ji-Zhong Yan; Jian Li; Guo-Wu Rao","13-Methyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl 2-chloroacetate","Acta Crystallographica Section E","2006","62","6","o2442","o2443","10.1107/S1600536806018708","","","0.71075","MoKα","","","0.036","","","","0.066","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209336","7.3539","0.0015","8.6315","0.0017","9.794","0.002","108.16","0.03","93.79","0.03","96.41","0.03","583.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N-(2-Bromothiazol-5-ylmethyl-phthalimide","","- C12 H7 Br N2 O2 S -","- C12 H7 Br N2 O2 S -","- C24 H14 Br2 N4 O4 S2 -","2","1","WK2010","Li, Jiang-Tao; Wang, Jing-Kang; Zhou, Li-Na","<i>N</i>-(2-Bromothiazol-5-ylmethyl)phthalimide","Acta Crystallographica Section E","2006","62","6","o2327","o2328","10.1107/S1600536806017260","","","0.71073","MoKα","","0.0237","0.0222","","","0.0599","0.061","","","","","","0.932","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209337","7.218","0.002","12.896","0.003","18.531","0.005","90","","90","","90","","1724.9","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-(3'R)-Angeroyloxy-4'-oxo-3',4'-dihydroseselin","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","WK2011","Xiao-Bing Wang; Yun-Rong Shi; Ling-Yi Kong","(+)-(3'<i>R</i>)-Angeloxyloxy-4'-oxo-3',4'-dihydroseselin (Pd‒Ib)","Acta Crystallographica Section E","2006","62","6","o2505","o2507","10.1107/S1600536806018745","","","0.71073","MoKα","","0.0876","0.0413","","","0.0937","0.1191","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209338","8.4587","0.0005","8.4587","0.0005","7.7078","0.0004","90","","90","","90","","551.49","0.05","193","2","193","2","","","","","","","","2","P 42/m n m","-P 4n 2n","136","sodium mercury amalgam (3/2)","trisodium dimercuride","","- Hg2 Na3 -","- Hg2 Na3 -","- Hg8 Na12 -","4","0.25","WM2015","Tkachuk, Andriy V.; Mar, Arthur","Redetermination of Na~3~Hg~2~","Acta Crystallographica Section E","2006","62","6","i129","i130","10.1107/S1600536806016102","","","0.71073","MoKα","","0.0582","0.0385","","","0.0926","0.1017","","","","","","1.16","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209339","7.362","0.008","7.44","0.01","11.001","0.014","88.144","0.005","85.622","0.009","82.831","0.008","595.9","1.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","(4-Chlorophenyl)(2-hydroxy-5-methylphenyl)methanone","","- C14 H11 Cl O2 -","- C14 H11 Cl O2 -","- C28 H22 Cl2 O4 -","2","1","WN2022","Naveen, S.; Venu, T. D.; Shashikanth, S.; Sridhar, M. A.; Shashidhara Prasad, J.","(4-Chlorophenyl)(2-hydroxy-5-methylphenyl)methanone","Acta Crystallographica Section E","2006","62","6","o2233","o2234","10.1107/S1600536806013651","","","0.71073","MoKα","","0.0532","0.0463","","","0.1419","0.1525","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209340","7.5279","0.0005","9.6929","0.0006","10.398","0.0007","92.308","0.003","100.34","0.003","107.928","0.002","706.44","0.08","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(E)-N'-(2-Methoxybenzylidene)isonicotinohydrazide dihydrate","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C28 H34 N6 O8 -","2","1","WN2024","Qiu, Xiao-Yang; Xu, Hua-Jie; Liu, Wei-Sheng; Zhu, Hai-Liang","(<i>E</i>)-<i>N</i>'-(2-Methoxybenzylidene)isonicotinohydrazide dihydrate","Acta Crystallographica Section E","2006","62","6","o2304","o2305","10.1107/S1600536806014279","","","0.71073","MoKα","","0.0676","0.0462","","","0.1152","0.1334","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209341","6.0658","0.0006","10.9797","0.0011","13.809","0.0013","107.5","0.009","90.46","0.008","92.119","0.008","876.35","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","trans,trans-2,3,4-Triphenylazetidinium bromide","","- C21 H20 Br N -","- C21 H20 Br N -","- C42 H40 Br2 N2 -","2","1","WN2026","Guido J. Reiß; Vanya Kurteva","<i>trans</i>,<i>trans</i>-2,3,4-Triphenylazetidinium bromide","Acta Crystallographica Section E","2006","62","6","o2141","o2143","10.1107/S1600536806015248","","","0.71073","MoKα","","0.0472","0.0424","","","0.0943","0.0971","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209342","17.295","0.005","7.494","0.004","17.127","0.009","90","","100.22","0.003","90","","2184.6","1.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-amino-3-ethoxycarbonyl-7,8-dimethyl-4-[4-(methylsulfanyl)phenyl]- 5-oxo-4H-pyrano[3,2-c]chromene-3-carboxylate","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C96 H92 N4 O20 S4 -","4","1","WN2027","Lakshmi, S.; Dinesh Manvar; Alpesh Parecha; Anamik Shah; Sridhar, M. A.; Shashidhara Prasad, J.","Ethyl 2-amino-3-ethoxycarbonyl-7,8-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-4<i>H</i>-pyrano[3,2-<i>c</i>]chromene-3-carboxylate","Acta Crystallographica Section E","2006","62","6","o2163","o2165","10.1107/S1600536806015741","","","0.71073","MoKα","","0.0535","0.0459","","","0.1252","0.1372","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2209343","8.466","0.001","9.805","0.001","15.876","0.002","90","","92.1","0.01","90","","1317","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(2,3-Dichlorophenyl)benzenesulfonamide","","- C12 H9 Cl2 N O2 S -","- C12 H9 Cl2 N O2 S -","- C48 H36 Cl8 N4 O8 S4 -","4","1","WN2030","Tkachev, Valery V.; Schaper, Klaus-Jürgen; Strakhova, Nadezda N.; Kazachenko, Vladimir P.","<i>N</i>-(2,3-Dichlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2006","62","6","o2514","o2515","10.1107/S160053680601943X","","","0.71073","MoKα","","0.1108","0.0485","","","0.0854","0.1033","","","","","","0.998","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209344","7.6268","0.0011","8.7596","0.0013","9.2748","0.0014","72.34","0.002","70.924","0.002","67.088","0.002","528.24","0.14","298","","298","","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[bis[μ-1-(2-pyridyl)pyridinium-2-thiolate]-κ^2^N:S;κ^2^S:N- dicopper(II)]-di-μ-chloro]","","- C20 H16 Cl2 Cu2 N4 S2 -","- C20 H16 Cl2 Cu2 N4 S2 -","- C20 H16 Cl2 Cu2 N4 S2 -","1","0.5","WW2002","Harding, Phimphaka; Harding, David J.; Pakawatchai, Chaveng; Phetmung, Hirihattaya","<i>catena</i>-Poly[[bis[μ-1-(2-pyridyl)pyridinium-2-thiolate]-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-dicopper(I)]-di-μ-chloro]","Acta Crystallographica Section E","2006","62","6","m1335","m1337","10.1107/S1600536806017028","","","0.71073","MoKα","","0.034","0.025","","0.042","","0.033","","","1.093","","","0.992","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209345","16.246","0.002","9.076","0.001","14.198","0.002","90","","119.543","0.002","90","","1821.3","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[diaquamanganese(II)]bis(μ-1H-benzimidazole-5-carboxylato-)- κ^2^N^3^:O;κ^2^O:N^3^] dihydrate]","","- C16 H18 Mn N4 O8 -","- C16 H18 Mn N4 O8 -","- C64 H72 Mn4 N16 O32 -","4","0.5","WW2003","Deng, Qian-Jun; Zeng, Ming-Hua; Liang, Hong; Ng, Seik Weng; Huang, Ke-Long","<i>catena</i>-Poly[[[diaquamanganese(II)]bis(μ-1<i>H</i>-benzimidazole-5-carboxylato)-κ^2^<i>N</i>^3^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^3^] dihydrate]","Acta Crystallographica Section E","2006","62","6","m1293","m1295","10.1107/S1600536806016291","","","0.71073","MoKα","","0.035","0.028","","","0.077","0.082","","","","","","1.02","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209346","11.868","0.002","10.254","0.002","19.833","0.004","90","","106.51","0.03","90","","2314.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2,6-Dioxo-3,4,5,6-tetrahydro-2H-pyran-3-yl)-2,3-dihydro- 1H-isoindole-1,3-dione","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C104 H72 N8 O40 -","8","2","WW2009","Qian, Shao-Song; Cui, Hong-You; Zhao, Bo-Sheng","2-(2,6-Dioxo-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3-yl)-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione","Acta Crystallographica Section E","2006","62","6","o2276","o2277","10.1107/S160053680601631X","","","0.71073","MoKα","","0.0817","0.0506","","","0.1399","0.1639","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209347","21.9941","0.0007","7.8942","0.0003","21.9941","0.0007","90","","92.607","0.002","90","","3814.8","0.2","100","0.1","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1-Methylimidazole-κN^3^)[tris(2-aminoethyl)amine-κ^4^N]copper(II) bis(perchlorate)","","- C10 H24 Cl2 Cu N6 O8 -","- C10 H24 Cl2 Cu N6 O8 -","- C80 H192 Cl16 Cu8 N48 O64 -","8","2","WW2013","Hoong-Kun Fun; Suchada Chantrapromma; Zhong-Lin Lu; Xiao-Yang Gong","(1-Methylimidazole-κ<i>N</i>^3^)[tris(2-aminoethyl)amine-κ^4^<i>N</i>]copper(II) bis(perchlorate)","Acta Crystallographica Section E","2006","62","6","m1247","m1249","10.1107/S1600536806016333","","","0.71073","MoKα","","0.0745","0.0487","","","0.1159","0.1373","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209348","7.523","0.002","12.445","0.004","19.475","0.006","74.74","0.03","82.28","0.03","77.68","0.03","1712.6","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Octaaquaytterbium(III) tris(3-carboxy-4-hydroxybenzenesulfonate) monohydrate","","- C21 H33 O27 S3 Yb -","- C21 H33 O27 S3 Yb -","- C42 H66 O54 S6 Yb2 -","2","1","WW2015","Rohde, Alexander; Urland, Werner","Octaaquaytterbium(III) tris(3-carboxy-4-hydroxybenzenesulfonate) monohydrate","Acta Crystallographica Section E","2006","62","6","m1210","m1212","10.1107/S1600536806015583","","","0.71073","MoKα","","0.0356","0.0246","","","0.0497","0.0524","","","","","","0.912","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209349","13.2925","0.0008","7.2911","0.0003","16.7695","0.001","90","","94.894","0.005","90","","1619.32","0.15","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 5-(3,4-dicyanophenoxy)isophthalate","","- C18 H12 N2 O5 -","- C18 H12 N2 O5 -","- C72 H48 N8 O20 -","4","1","WW2016","Petek, Hande; Akdemir, Nesuhi; Ağar, Erbil; Gümrükçüoğlu, İsmail E.; Şenel, İsmet","Dimethyl 5-(3,4-dicyanophenoxy)isophthalate","Acta Crystallographica Section E","2006","62","6","o2111","o2112","10.1107/S1600536806015108","","","0.71073","MoKα","","0.0636","0.0384","","","0.104","0.1129","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209350","4.847","0.004","24.786","0.019","12.664","0.011","90","","103.504","0.01","90","","1479","2","118","2","118","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-methyl-N-(4-phenyl-1,3-diselenol-2-ylidene)benzamide","","- C17 H13 N O Se2 -","- C17 H13 N O Se2 -","- C68 H52 N4 O4 Se8 -","4","1","WW2018","Garud, Dinesh R.; Koketsu, Mamoru; Ebihara, Masahiro; Ishihara, Hideharu","3-Methyl-<i>N</i>-(4-phenyl-1,3-diselenol-2-ylidene)benzamide","Acta Crystallographica Section E","2006","62","6","o2133","o2134","10.1107/S1600536806015212","","","0.7107","MoKα","","0.0864","0.0707","","","0.1199","0.1251","","","","","","1.285","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209351","9.8813","0.0009","9.9042","0.0009","10.824","0.001","66.108","0.002","75.257","0.002","86.508","0.002","935.58","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diaqua-bis(2,2'-bipyridine)-dicobalt(II) (μ-p-phenylenediamine-N,N,N',N'-tetraacetato) tetrahydrate","","- C34 H40 Co2 N6 O14 -","- C34 H40 Co2 N6 O14 -","- C34 H40 Co2 N6 O14 -","1","0.5","XU2028","Hao, Zhi-Feng; Li, Hai-Feng; Chen, Yao-Wen; Zhang, Yao-Fang","(μ-<i>p</i>-Phenylenediaminetetraacetato)bis[aqua(2,2'-bipyridine)cobalt(II)] tetrahydrate","Acta Crystallographica Section E","2006","62","6","m1346","m1347","10.1107/S1600536806015753","","","0.71073","MoKα","","0.035","0.031","","","0.076","0.078","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209352","8.3923","0.0011","9.457","0.0013","15.023","0.002","90","","90","","90","","1192.3","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[μ~3~-iminodiacetato-manganese(II)]","","- C4 H5 Mn N O4 -","- C4 H5 Mn N O4 -","- C32 H40 Mn8 N8 O32 -","8","1","XU2029","Wang, Hua; Wang, Zhen; Han, Jin-Yu","Poly[μ~3~-iminodiacetato-manganese(II)]","Acta Crystallographica Section E","2006","62","6","m1344","m1345","10.1107/S160053680601590X","","","0.71073","MoKα","","0.028","0.021","","","0.051","0.053","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209353","7.842","0.001","25.536","0.003","7.642","0.001","90","","107.87","0.01","90","","1456.5","0.3","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Quinolin-8-yl 2,5-dichlorobenzenesulfonate","","- C15 H9 Cl2 N O3 S -","- C15 H9 Cl2 N O3 S -","- C60 H36 Cl8 N4 O12 S4 -","4","1","XU2030","Silva, Luiz Everson da; Andrighetti-Fröhner, Carla Regina; Nunes, Ricardo José; Simões, Cláudia Maria Oliviera; Foro, Sabine","Quinolin-8-yl 2,5-dichlorobenzenesulfonate","Acta Crystallographica Section E","2006","62","6","o2104","o2105","10.1107/S1600536806015017","","","1.5418","CuKα","","0.051","0.045","","","0.127","0.132","","","","","","1.072","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209354","7.6326","0.0005","8.6811","0.0006","13.0126","0.0009","84.223","0.001","86.284","0.001","80.483","0.001","845","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Chlorophenyl)-4,4-dimethyl-3-(4H-1,2,4-triazol-4-ylmethyl)pentan-3-ol monohydrate","","- C16 H24 Cl N3 O2 -","- C16 H24 Cl N3 O2 -","- C32 H48 Cl2 N6 O4 -","2","1","XU2031","Ai-Xi Hu; Yu Wang; Gao Cao; Jian-Yu Zhang","1-(4-Chlorophenyl)-4,4-dimethyl-3-(4<i>H</i>-1,2,4-triazol-4-ylmethyl)pentan-3-ol monohydrate","Acta Crystallographica Section E","2006","62","6","o2129","o2130","10.1107/S1600536806015376","","","0.71073","MoKα","","0.087","0.056","","","0.159","0.18","","","","","","1.088","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209355","8.4561","0.0009","11.6301","0.0012","11.9854","0.0012","65.401","0.002","84.735","0.002","86.205","0.002","1066.7","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 2-[(4-chlorophenylamino)(2,6-dichlorophenyl)methyl]malonate","","- C20 H20 Cl3 N O4 -","- C20 H20 Cl3 N O4 -","- C40 H40 Cl6 N2 O8 -","2","1","XU2032","Shou, Wang-Ge; Yang, Yun-Yun; Lei, Ming","Diethyl 2-[(4-chlorophenylamino)(2,6-dichlorophenyl)methyl]malonate","Acta Crystallographica Section E","2006","62","6","o2212","o2213","10.1107/S1600536806015777","","","0.71073","MoKα","","0.059","0.045","","","0.115","0.122","","","","","","0.949","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209356","22.06","0.04","6.251","0.011","22.73","0.04","90","","97.89","0.03","90","","3105","10","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis[N-benzoyl-N'-(isonicotinoyl)hydrazine]dichlorocobalt dihydrate","","- C26 H30 Cl2 Co N6 O8 -","- C26 H30 Cl2 Co N6 O8 -","- C104 H120 Cl8 Co4 N24 O32 -","4","1","XU2033","Yu, Qing; Guo, Gui-Quan; Bian, He-Dong; Liang, Hong; Li, Chun-Ying","Diaquabis[<i>N</i>-benzoyl-<i>N</i>'-(isonicotinoyl)hydrazine]dichlorocobalt(II) dihydrate","Acta Crystallographica Section E","2006","62","6","m1221","m1222","10.1107/S1600536806015935","","","0.71073","MoKα","","0.135","0.077","","","0.141","0.157","","","","","","1.107","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209357","13.898","0.004","18.246","0.005","10.015","0.003","90","","126.313","0.003","90","","2046.4","1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloro(1,10-phenanthroline)(1,2-phenylenediamine)nickel(II) methanol solvate","","- C19 H20 Cl2 N4 Ni O -","- C19 H20 Cl2 N4 Ni O -","- C76 H80 Cl8 N16 Ni4 O4 -","4","0.5","XU2035","Chen, Zi-Lu; Zhang, Yu-Zhen; Liang, Fu-Pei","Dichloro(1,10-phenanthroline)(benzene-1,2-diamine)nickel(II) methanol solvate","Acta Crystallographica Section E","2006","62","6","m1296","m1297","10.1107/S1600536806016746","","","0.71073","MoKα","","0.073","0.041","","","0.1","0.119","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209358","6.774","0.001","6.703","0.001","25.775","0.004","90","","95.493","0.002","90","","1165","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{μ-(E)-5-methoxy-2-[1-(3-oxidopropylideneamino)ethyl]phenolato}copper(II)","","- C24 H30 Cu2 N2 O6 -","- C24 H30 Cu2 N2 O6 -","- C48 H60 Cu4 N4 O12 -","2","0.5","XU2036","Tong-Tao Xu; Xing-You Xu; Lu-De Lu; Jia Ni; Xu-Jie Yang","Bis{μ-(<i>E</i>)-5-methoxy-2-[1-(3-oxidopropylideneamino)ethyl]phenolato}copper(II)","Acta Crystallographica Section E","2006","62","6","m1408","m1409","10.1107/S1600536806018800","","","0.71073","MoKα","","0.063","0.053","","","0.125","0.144","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209359","9.428","0.004","14.907","0.006","11.671","0.004","90","","99.28","0.03","90","","1618.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-Diethyl 2-amino-5-(2-thienylmethyleneamino)thiophene-3,4-dicarboxylate","","- C15 H16 N2 O4 S2 -","- C15 H16 N2 O4 S2 -","- C60 H64 N8 O16 S8 -","4","1","XU2038","Skene, W. G.; Dufresne, Stéphane; Trefz, Tyler","(<i>E</i>)-Diethyl 2-amino-5-(2-thienylmethyleneamino)thiophene-3,4-dicarboxylate","Acta Crystallographica Section E","2006","62","6","o2382","o2384","10.1107/S1600536806017351","","","1.54178","CuKα","","0.049","0.037","","","0.094","0.098","","","","","","0.917","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209360","11.8989","0.0012","7.7568","0.0008","20.08","0.002","90","","93.567","0.002","90","","1849.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cyclooctane-1,2,5,6-tetrayl tetraacetate","","- C16 H24 O8 -","- C16 H24 O8 -","- C64 H96 O32 -","4","1","XU2039","Salamci, Emine; Ustabaş, Reşat; Çoruh, Ufuk; Yavuz, Metin; Vázquez-López, Ezequiel M.","Cyclooctane-1,2,5,6-tetrayl tetraacetate","Acta Crystallographica Section E","2006","62","6","o2401","o2402","10.1107/S1600536806018204","","","0.71073","MoKα","","0.168","0.055","","","0.121","0.148","","","","","","0.841","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209361","8.7738","0.0018","19.066","0.004","7.9456","0.0016","90","","114.09","0.03","90","","1213.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[(imidazol-4-ylmethyl)(2-pyridylmethyl)amine-κ^3^N,N',N'']nickel(II) dichloride dihydrate","","- C20 H28 Cl2 N8 Ni O2 -","- C20 H28 Cl2 N8 Ni O2 -","- C40 H56 Cl4 N16 Ni2 O4 -","2","0.5","XU2040","Hsiao-Ting Wong; Yong-Yi Song; Michael Y. Chiang; Wen-Feng Zeng","Bis[(imidazol-4-ylmethyl)(2-pyridylmethyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']nickel(II) dichloride dihydrate","Acta Crystallographica Section E","2006","62","6","m1237","m1238","10.1107/S1600536806016667","","","0.71073","MoKα","","0.044","0.029","","","0.077","0.085","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209362","17.2458","0.0005","12.866","0.0004","13.4908","0.0004","90","","105.78","0.001","90","","2880.59","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(homopiperazinium) diaquapentakis(nitrato-κ^2^O,O')lanthanum(III) dinitrate","Bis(1,4-diazoniacycloheptane) diaquapentakis(nitrato-κ^2^O,O')lanthanum(III) dinitrate ?","","- C10 H32 La N11 O23 -","- C10 H32 La N11 O23 -","- C40 H128 La4 N44 O92 -","4","0.5","XU2043","Fowkes, Adrian; Harrison, William T. A.","Bis(homopiperazinium) diaquapentakis(nitrato-κ^2^<i>O</i>,<i>O</i>')lanthanate(III) dinitrate","Acta Crystallographica Section E","2006","62","6","m1301","m1303","10.1107/S1600536806017235","","","0.71073","MoKα","","0.03","0.025","","","0.06","0.062","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209363","8.5435","0.0018","10.191","0.002","11.344","0.002","113.609","0.003","100.661","0.003","99.411","0.003","857.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(4,4'-bipyridinium) di-μ-bromo-bis[tetrabromobismuthate(III)]","","- C20 H20 Bi2 Br10 N4 -","- C20 H20 Bi2 Br10 N4 -","- C20 H20 Bi2 Br10 N4 -","1","0.5","YA2005","Feng Li; Han-Dong Yin; Jun Zhai; Da-Qi Wang","Bis(4,4'-bipyridinium) di-μ-bromo-bis[tetrabromobismuthate(III)]","Acta Crystallographica Section E","2006","62","6","m1387","m1389","10.1107/S1600536806018678","","","0.71073","MoKα","","0.055","0.038","","","0.091","0.099","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209364","10.131","0.004","15.345","0.008","10.505","0.004","90","","105.846","0.016","90","","1571","1.2","296","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanecarbonyl]oxazolidin-2-one","","- C15 H15 Cl2 N O4 -","- C15 H15 Cl2 N O4 -","- C60 H60 Cl8 N4 O16 -","4","1","YA2007","Na-Bo Sun; De-Long Shen; Guo-Wu Rao; Cheng-Xia Tan; Jian-Quan Weng","3-[2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanecarbonyl]oxazolidin-2-one","Acta Crystallographica Section E","2006","62","6","o2123","o2124","10.1107/S1600536806014735","","","0.71075","MoKα","","","0.039","","","","0.1","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209365","9.785","0.005","9.658","0.005","24.932","0.012","90","","101.283","0.008","90","","2311","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[4-(4-Chlorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro- 1H-pyrazolo[3,4-b]pyridin-5-yl]benzamide","","- C26 H21 Cl N4 O2 -","- C26 H21 Cl N4 O2 -","- C104 H84 Cl4 N16 O8 -","4","1","YA2010","Xiao-Jing Zhang; Jun-Yong Zhang; Shu-Jiang Tu; Run-Hong Jia","<i>N</i>-[4-(4-Chlorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl]benzamide","Acta Crystallographica Section E","2006","62","6","o2306","o2307","10.1107/S1600536806017089","","","0.71073","MoKα","","0.148","0.051","","","0.106","0.147","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209366","7.8387","0.0016","16.048","0.003","17.633","0.004","90","","100.27","0.03","90","","2182.6","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{N,N'-Bis[3-(2-nitrophenyl)allylidene]ethane-1,2-diamine- κ^2^N,N'}dichlorocobalt(II)","","- C20 H18 Cl2 Co N4 O4 -","- C20 H18 Cl2 Co N4 O4 -","- C80 H72 Cl8 Co4 N16 O16 -","4","1","YA2011","Dehghanpour, Saeed; Mahmoudi, Ali; Haghighatseresht, Masomeh","{<i>N</i>,<i>N</i>'-Bis[3-(2-nitrophenyl)allylidene]ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}dichlorocobalt(II)","Acta Crystallographica Section E","2006","62","6","m1342","m1343","10.1107/S1600536806017880","","","0.71073","MoKα","","0.113","0.066","","","0.151","0.176","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209367","5.657","0.002","11.7","0.004","11.793","0.004","98.91","0.008","97.291","0.009","96.008","0.007","758.7","0.5","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","Phenyl 2-nicotinamidobenzoate","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C38 H28 N4 O6 -","2","1","YM2001","Shao-Min Shi; Bing Jia; Yu Wu; Xiao-Dong Liu; Zong-Qiu Hu","Phenyl 2-picolinamidobenzoate","Acta Crystallographica Section E","2006","62","6","o2278","o2280","10.1107/S1600536806016382","","","0.71073","MoKα","","0.078","0.048","","","0.088","0.1","","","","","","0.91","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209368","8.1929","0.0016","21.189","0.003","7.192","0.002","90","","96.196","0.019","90","","1241.2","0.5","295","1","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-Bis(diphenylmethylsilyl)ethene","","- C28 H28 Si2 -","- C28 H28 Si2 -","- C56 H56 Si4 -","2","0.5","YM2002","Pawluć, Piotr; Marciniec, Bogdan; Kubicki, Maciej","(<i>E</i>)-1,2-Bis(diphenylmethylsilyl)ethene","Acta Crystallographica Section E","2006","62","6","o2245","o2246","10.1107/S1600536806015856","","","0.71073","MoKα","","0.213","0.055","","","0.145","0.192","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209369","4.7932","0.0016","11.326","0.003","33.233","0.016","90","","90.66","0.03","90","","1804","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-oxo-4-[(2-pyridylmethylene)amino]-3-(2-thieylmethyl)-4,5-dihydro- 1H-1,2,4-triazole-1-acetate","","- C17 H17 N5 O3 S -","- C17 H17 N5 O3 S -","- C68 H68 N20 O12 S4 -","4","1","AC2024","Yılmaz, Işıl; Arslan, Burcu; Kazak, Canan; Sancak, Kemal; Er, Mustafa","Ethyl 5-oxo-4-[(2-pyridylmethylene)amino]-3-(2-thienylmethyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-1-acetate (TF‒<i>S</i>-pyridine-3-ester)","Acta Crystallographica Section E","2006","62","7","o2778","o2780","10.1107/S1600536806019325","","","0.71073","MoKα","","0.1671","0.088","","","0.2313","0.2748","","","","","","0.896","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209370","13.7862","0.0004","11.0663","0.0003","14.6971","0.0004","90","","93.277","0.001","90","","2238.56","0.11","293.5","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","3,4,4-Trichloro-1-(4-chlorophenylsulfanyl)-1-[4-(2-fluorophenyl)piperazinyl]- 2-nitrobuta-1,3-diene","","- C20 H16 Cl4 F N3 O2 S -","- C20 H16 Cl4 F N3 O2 S -","- C80 H64 Cl16 F4 N12 O8 S4 -","4","1","AC2026","Ibis, Cemil; Gokmen, Zeliha","3,4,4-Trichloro-1-(4-chlorophenylsulfanyl)-1-[4-(2-fluorophenyl)piperazinyl]-2-nitrobuta-1,3-diene","Acta Crystallographica Section E","2006","62","7","o2932","o2933","10.1107/S1600536806022483","","","0.7107","MoKα","","","0.04","","","","0.118","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209371","10.483","0.002","11.85","0.002","13.033","0.003","88.76","0.03","68.75","0.03","78.92","0.03","1478.8","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","2,6-Bis(3-ferrocenyl-5-methyl-1H-pyrazol-1-ylcarbonyl)pyridine","","- C35 H29 Fe2 N5 O2 -","- C35 H29 Fe2 N5 O2 -","- C70 H58 Fe4 N10 O4 -","2","1","AC2027","Yao-Cheng Shi; Bei-Bei Zhu; Chun-Xia Sui","2,6-Bis(3-ferrocenyl-5-methyl-1<i>H</i>-pyrazol-1-ylcarbonyl)pyridine","Acta Crystallographica Section E","2006","62","7","m1651","m1653","10.1107/S1600536806022495","","","0.71073","MoKα","","0.0777","0.057","","","0.1411","0.1564","","","","","","1.084","","","","has coordinates,has Fobs","208159","2020-10-21","18:00:00",""
"2209372","7.184","0.0008","8.5211","0.0009","10.237","0.0011","99.062","0.002","97.578","0.002","106.848","0.002","581.74","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","N-Benzylphthalimide","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C30 H22 N2 O4 -","2","1","AC2030","Yan-Wen Lü; Bo-Hua Wang; Ge-Dong Cai; Zhen-Hua Li; Ping Wang","<i>N</i>-Benzylphthalimide","Acta Crystallographica Section E","2006","62","7","o2965","o2966","10.1107/S1600536806022471","","","0.71073","MoKα","","0.089","0.0735","","","0.1354","0.1423","","","","","","1.254","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209373","14.9782","0.0015","12.7398","0.0013","21.7317","0.0015","90","","132.148","0.004","90","","3074.5","0.5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[bis(μ-3-dimethylamino-N- salicylidenepropylamine)isothiocyanatodicadmium(II)]-μ-isothiocyanato]","","- C26 H34 Cd2 N6 O2 S2 -","- C26 H34 Cd2 N6 O2 S2 -","- C104 H136 Cd8 N24 O8 S8 -","4","1","AT2034","Cai, Wen-Xuan; Zhang, Qi-Wei; Su, Hong; Wen, Yi-Hang; Feng, Yun-Long","<i>catena</i>-Poly[[bis(μ-3-dimethylamino-<i>N</i>-salicylidenepropylamine)isothiocyanatodicadmium(II)]-μ-isothiocyanato]","Acta Crystallographica Section E","2006","62","7","m1572","m1574","10.1107/S160053680602085X","","","0.71073","MoKα","","0.0483","0.0281","","","0.0696","0.0749","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209374","12.662","0.004","7.181","0.002","12.951","0.004","90","","103.09","0.007","90","","1147","0.6","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,4'-Oxydibenzaldehyde","","- C14 H10 O3 -","- C14 H10 O3 -","- C56 H40 O12 -","4","1","AT2036","Xu, Wen-qing; Gao, Wen-yuan; Mei Xing","4,4'-Oxydibenzaldehyde","Acta Crystallographica Section E","2006","62","7","o2710","o2711","10.1107/S1600536806020885","","","0.71073","MoKα","","0.1031","0.0414","","","0.0628","0.074","","","","","","1.141","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209375","8.0455","0.0006","11.7674","0.0009","39.887","0.003","90","","90","","90","","3776.3","0.5","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(4-Chlorophenyl)-5-ethyl-6-methyl-2-morpholinothieno[2,3-d]pyrimidin- 4(3H)-one","","- C19 H20 Cl N3 O2 S -","- C19 H20 Cl N3 O2 S -","- C152 H160 Cl8 N24 O16 S8 -","8","1","AT2037","Zheng-Dong Fang; Ming-Wu Ding","3-(4-Chlorophenyl)-5-ethyl-6-methyl-2-morpholinothieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2869","o2871","10.1107/S1600536806020897","","","0.71073","MoKα","","0.0685","0.0562","","","0.1413","0.1525","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209376","10.3752","0.0002","13.6464","0.0005","15.3603","0.0005","90","","98.8","0.002","90","","2149.17","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Dicyanotetrakis(1,1,3,3-tetramethylbutyl isocyanide)ruthenium(II)","","- C38 H68 N6 Ru -","- C38 H68 N6 Ru -","- C76 H136 N12 Ru2 -","2","0.5","AT2039","Imhof, Wolfgang; Halbauer, Kathi","<i>trans</i>-Dicyanotetrakis(2-isocyano-2,4,4-trimethylpentane)ruthenium(II)","Acta Crystallographica Section E","2006","62","7","m1514","m1516","10.1107/S1600536806021532","","","0.71073","MoKα","","0.0571","0.0316","","","0.065","0.0719","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209377","10.168","0.001","13.237","0.001","22.301","0.002","90","","93.679","0.001","90","","2995.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{1-[2-(Methylamino)ethyliminomethyl]naphthalen-2-olato}thiocyanatocopper(II)","","- C15 H15 Cu N3 O S -","- C15 H15 Cu N3 O S -","- C120 H120 Cu8 N24 O8 S8 -","8","2","AT2040","Hou, Han-Na","{1-[2-(Methylamino)ethyliminomethyl]naphthalen-2-olato}thiocyanatocopper(II)","Acta Crystallographica Section E","2006","62","7","m1533","m1534","10.1107/S1600536806021544","","","0.71073","MoKα","","0.0656","0.0466","","","0.114","0.1245","","","","","","1.029","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209378","15.4261","0.0017","8.0266","0.0009","16.6153","0.0019","90","","113.802","0.002","90","","1882.3","0.4","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,4,6-Trimethylpyridine-3,5-dicarbonitrile","","- C10 H9 N3 -","- C10 H9 N3 -","- C80 H72 N24 -","8","2","AT2041","Hong-Li Wang; Bin Zhang; Yi Dai","2,4,6-Trimethylpyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2006","62","7","o2765","o2767","10.1107/S1600536806021556","","","0.71073","MoKα","","0.1124","0.0586","","","0.1467","0.164","","","","","","0.895","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209379","23.996","0.002","7.0691","0.0007","12.2522","0.0012","90","","99.047","0.002","90","","2052.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ~3~-benzyloxyiminoacetato)nitratotrisilver(I)]","","- C18 H16 Ag3 N3 O9 -","- C18 H16 Ag3 N3 O9 -","- C72 H64 Ag12 N12 O36 -","4","1","AT2042","Hongming Zhang; Sudershan R. Gondi; David Y. Son","Poly[bis(μ~3~-benzyloxyiminoacetato)nitratotrisilver(I)]","Acta Crystallographica Section E","2006","62","7","m1613","m1615","10.1107/S160053680602246X","","","0.71073","MoKα","","0.076","0.062","","","0.163","0.172","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209380","9.948","0.003","8.833","0.003","11.42","0.003","90","","102.682","0.004","90","","979","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorophenyl)-6-methyl-1,6-dihydro-1,2,4,5-tetrazine","","- C9 H9 Cl N4 -","- C9 H9 Cl N4 -","- C36 H36 Cl4 N16 -","4","1","AT2043","Feng Xu; Wei-Xiao Hu; Wei Zhou; Chun-Nian Xia","3-(4-Chlorophenyl)-6-methyl-1,6-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section E","2006","62","7","o2875","o2876","10.1107/S1600536806022641","","","0.71073","MoKα","","0.0597","0.0447","","","0.1103","0.1174","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209381","12.7457","0.0008","8.3919","0.0005","22.3719","0.0014","90","","103.156","0.001","90","","2330.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4-Chloro-3,5-dinitrobenzoato)triphenyltin(IV)","","- C25 H17 Cl N2 O6 Sn -","- C25 H17 Cl N2 O6 Sn -","- C100 H68 Cl4 N8 O24 Sn4 -","4","1","AT2046","Aziz-ur-Rehman; Helliwell, Madeleine; Ali, Saqib; Shahzadi, Saira","(4-Chloro-3,5-dinitrobenzoato)triphenyltin(IV)","Acta Crystallographica Section E","2006","62","7","m1656","m1657","10.1107/S1600536806023580","","","0.71073","MoKα","","0.0303","0.0261","","","0.0658","0.0678","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209382","12.043","0.002","7.7441","0.0016","12.043","0.002","90","","103.07","0.02","90","","1094.1","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H30 Cl N O4 -","- C21 H30 Cl N O4 -","- C42 H60 Cl2 N2 O8 -","2","1","BH2013","Zhang, Guang-You; Wang, Xiang-Bo; Zhao, Jin-Yan; Wang, Wan-Hui; Yang, Xiao-Feng","The absolute configuration of a new aminoalkylphenol derived from (<i>R</i>)-(‒)-2-phenylglycine","Acta Crystallographica Section E","2006","62","7","o3035","o3037","10.1107/S1600536806022963","","","0.71073","MoKα","","0.0539","0.0523","","","0.1424","0.1444","","","","","","1.045","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209383","5.2216","0.0002","14.3035","0.0006","19.6163","0.0008","90","","90","","90","","1465.09","0.1","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Compound 1; carbamate 5; AZ12342995","tert-Butyl[(1S)-3-chloro-1-(3,5-difluorophenyl)propyl]carbamate","","- C14 H18 Cl F2 N O2 -","- C14 H18 Cl F2 N O2 -","- C56 H72 Cl4 F8 N4 O8 -","4","1","BH2019","Ertan, Anne","(1<i>S</i>)-<i>tert</i>-Butyl [3-chloro-1-(3,5-difluorophenyl)propyl]carbamate: structure and absolute configuration","Acta Crystallographica Section E","2006","62","7","o3059","o3061","10.1107/S1600536806021349","","","0.71073","MoKα","","0.106","0.0385","","","0.0806","0.0908","","","","","","0.848","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209384","7.4783","0.001","15.727","0.002","12.652","0.002","90","","104.847","0.006","90","","1438.3","0.4","105","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloro[6,6'-bis(chloromethyl)-2,2'-bipyridine]cobalt(II)","","- C12 H10 Cl4 Co N2 -","- C12 H10 Cl4 Co N2 -","- C48 H40 Cl16 Co4 N8 -","4","1","BH2020","Nellas, Ricky B.; Fronczek, Frank R.; Newkome, George R.; Watkins, Steven F.; Xia, Yuanjiao","[6,6'-Bis(chloromethyl)-2,2'-bipyridyl]dichlorocobalt(II)","Acta Crystallographica Section E","2006","62","7","m1522","m1523","10.1107/S1600536806021362","","","0.71073","MoKα","","","0.0301","","","","0.0647","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209385","9.7903","0.0018","37.266","0.006","10.917","0.002","90","","115.547","0.005","90","","3593.6","1.1","290","2","290","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(3-Acetylpyridine-κN)chlorobis(triphenylphosphine-κP)copper(I)","","- C43 H37 Cl Cu N O P2 -","- C43 H37 Cl Cu N O P2 -","- C172 H148 Cl4 Cu4 N4 O4 P8 -","4","1","BH2021","Lennartson, Anders; Salo, Kent; Håkansson, Mikael","(3-Acetylpyridine-κ<i>N</i>)chlorobis(triphenylphosphine-κ<i>P</i>)copper(I): a suitable candidate for absolute asymmetric synthesis?","Acta Crystallographica Section E","2006","62","7","m1569","m1571","10.1107/S1600536806021714","","","0.71073","MoKα","","0.0983","0.0636","","","0.1269","0.1394","","","","","","1.112","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209386","5.6726","0.0004","18.3669","0.0011","12.569","0.0009","90","","92.651","0.006","90","","1308.14","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-Pyridylmethyleneamino)-3-(2-thienylmethyl)-1H-1,2,4-triazol-5(4H)-one","","- C13 H11 N5 O S -","- C13 H11 N5 O S -","- C52 H44 N20 O4 S4 -","4","1","BH2022","Yılmaz, Isıl; Arslan, N. Burcu; Kazak, Canan; Sancak, Kemal; Unver, Yasemin","4-(2-Pyridylmethyleneamino)-3-(2-thienylmethyl)-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o3067","o3068","10.1107/S1600536806023981","","","0.71073","MoKα","","0.0686","0.0433","","","0.1007","0.1074","","","","","","0.962","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209387","10.019","0.002","10.355","0.002","12.824","0.003","77.08","0.004","83.71","0.004","71.133","0.004","1226.1","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-4-[4-(4-Chlorobenzyloxy)-3-ethoxybenzylideneamino]-1,5-dimethyl-2-phenyl- 1H-pyrazol-3(2H)-one","","- C27 H26 Cl N3 O3 -","- C27 H26 Cl N3 O3 -","- C54 H52 Cl2 N6 O6 -","2","1","BH2023","Zhang, Wen-Jun; Duan, Zhong-Yu; Zhao, Xin","(<i>E</i>)-4-[4-(4-Chlorobenzyloxy)-3-ethoxybenzylideneamino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2834","o2835","10.1107/S1600536806022008","","","0.71073","MoKα","","0.122","0.0547","","","0.1304","0.1648","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209388","7.765","0.004","9.043","0.004","13.044","0.011","70.17","0.03","82.36","0.03","75.52","0.03","833.1","0.9","298","2","","","","","","","","","","4","P -1","-P 1","2","","(E)-Dimethyl 4-(ethylamino)-5-styrylfuran-2,3-dicarboxylate","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C36 H38 N2 O10 -","2","1","BH2028","Xu, Fada; Ma, Cheng; Zhang, Yi-Ping","(<i>E</i>)-Dimethyl 4-(ethylamino)-5-styrylfuran-2,3-dicarboxylate","Acta Crystallographica Section E","2006","62","7","o2886","o2887","10.1107/S1600536806022586","","","0.71075","MoKα","","","0.048","","","","0.144","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209389","6.0827","0.0019","9.422","0.003","13.909","0.005","81.476","0.005","89.7","0.005","86.211","0.005","786.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis[(2,6-diisopropylphenyl)ammonium] ethane-1,2-disulfonate dihydrate","","- C26 H48 N2 O8 S2 -","- C26 H48 N2 O8 S2 -","- C26 H48 N2 O8 S2 -","1","0.5","BI2013","Samas, Brian; Macikenas, Dainius","Bis[(2,6-diisopropylphenyl)ammonium] ethane-1,2-disulfonate dihydrate","Acta Crystallographica Section E","2006","62","7","o2809","o2810","10.1107/S1600536806019386","","","0.71073","MoKα","","0.0458","0.0406","","","0.1041","0.1078","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209390","8.8885","0.0011","15.1907","0.0017","16.734","0.002","68.855","0.008","84.902","0.009","75.965","0.01","2044.4","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","5,5'-Dimethyl-4,4'-(3,3,4,4,5,5-hexafluorocyclopentene-1,2-diyl)bis(thiophene- 2-carboxylic acid) acetone 0.25-solvate","","- C17.75 H11.5 F6 O4.25 S2 -","- C17.75 H11.5 F6 O4.25 S2 -","- C71 H46 F24 O17 S8 -","4","2","BI2015","Xue-Dong Liu; Qing-Xiao Tong; Ruji Wang; Fushi Zhang","5,5'-Dimethyl-4,4'-(3,3,4,4,5,5-hexafluorocyclopentene-1,2-diyl)bis(thiophene-2-carboxylic acid) acetone 0.25-solvate","Acta Crystallographica Section E","2006","62","7","o3038","o3039","10.1107/S1600536806023609","","","0.71073","MoKα","","0.1016","0.0597","","","0.127","0.1487","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209391","6.6081","0.0018","14.072","0.004","15.133","0.004","90","","92.985","0.006","90","","1405.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(4-Chlorobenzylidene)-3,6-dichloropicolinohydrazide","","- C13 H8 Cl3 N3 O -","- C13 H8 Cl3 N3 O -","- C52 H32 Cl12 N12 O4 -","4","1","BI2016","Zhang, Jie; Ma, Chun-An; Song, Qing-Bao; Tiekink, Edward R. T.","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-3,6-dichloropicolinohydrazide","Acta Crystallographica Section E","2006","62","7","o2644","o2645","10.1107/S1600536806020289","","","0.71073","MoKα","","0.045","0.039","","","0.099","0.102","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209392","7.687","0.0008","31.097","0.003","6.7432","0.0007","90","","110.371","0.002","90","","1511.1","0.3","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(2,6-Difluorobenzoyl)-N'-(4,6-dimethoxypyrimidin-2-yl)urea","","- C14 H12 F2 N4 O4 -","- C14 H12 F2 N4 O4 -","- C56 H48 F8 N16 O16 -","4","1","BI2017","Wang, Qing-Dong; Xue, Si-Jia; Yan, Lin; Ke, Shao-Yong","<i>N</i>-(2,6-Difluorobenzoyl)-<i>N</i>'-(4,6-dimethoxypyrimidin-2-yl)urea","Acta Crystallographica Section E","2006","62","7","o2824","o2825","10.1107/S1600536806021684","","","0.71073","MoKα","","0.0472","0.0359","","0.0747","0.0675","0.0747","","","","","","0.9564","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209393","9.9668","0.0003","10.821","0.0003","16.5299","0.0005","90","","102.351","0.002","90","","1741.5","0.09","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[benzyltrimethylammonium [cadmium(II)-tri-μ~2~-thiocyanato]]","","- C13 H16 Cd N4 S3 -","- C13 H16 Cd N4 S3 -","- C52 H64 Cd4 N16 S12 -","4","2","BI2019","Rajni Sharma; Alan R. Kennedy; Ritu Bala; Raj Pal Sharma","<i>catena</i>-Poly[benzyltrimethylammonium [cadmium(II)-tri-μ~2~-thiocyanato]]","Acta Crystallographica Section E","2006","62","7","m1630","m1632","10.1107/S1600536806022938","","","0.71073","MoKα","","0.0635","0.0406","","","0.0617","0.0674","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209394","6.1152","0.0014","10.214","0.002","15.113","0.003","90","","97.263","0.015","90","","936.4","0.3","173.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-Methacryloxytropone","7-oxo-1,3,5-cycloheptatrien-1-yl 2-methyl-2-propenoate","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","BI2021","Kubo, Kanji; Fukeda, Eriko; Matsumoto, Taisuke; Endo, Kazuhiko; Mori, Akira","2-Methacryloxytropone","Acta Crystallographica Section E","2006","62","7","o2986","o2987","10.1107/S1600536806023282","","","1.54187","CuKα","","","0.0373","","","","0.1283","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209395","7.6532","0.0009","24.206","0.003","13.6466","0.0016","90","","91.634","0.002","90","","2527.1","0.5","292","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{μ~2~-2-[2- (dimethylamino)ethyliminomethyl]phenolato}bis[chlorozinc(II)]","","- C22 H30 Cl2 N4 O2 Zn2 -","- C22 H30 Cl2 N4 O2 Zn2 -","- C88 H120 Cl8 N16 O8 Zn8 -","4","1","BI2022","Chen, Hsuan-Ying; Lin, Chu-Chieh","Bis{μ~2~-2-[2-(dimethylamino)ethyliminomethyl]phenolato}bis[chlorozinc(II)]","Acta Crystallographica Section E","2006","62","7","m1693","m1694","10.1107/S1600536806024093","","","0.71073","MoKα","","0.0754","0.0374","","","0.0719","0.0815","","","","","","0.974","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209396","12.5459","0.0013","14.5417","0.0014","14.6939","0.0015","90","","101.563","0.004","90","","2626.3","0.5","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[3-(3-Nitrobenzoylamino)benzoyl]-1,4-dideoxy-2,3-O-isopropylidene- 1,4-imino-D-talitol","","- C26 H29 N3 O8 -","- C26 H29 N3 O8 -","- C104 H116 N12 O32 -","4","2","BI2023","Chu-Yi Yu; Ying Fu","1,4-Dideoxy-2,3-<i>O</i>-isopropylidene-<i>N</i>-[3-(3-nitrobenzoylamino)benzoyl]-1,4-imino-<small>D</small>-talitol","Acta Crystallographica Section E","2006","62","7","o3113","o3114","10.1107/S1600536806024251","","","0.7107","MoKα","","0.0923","0.0662","","","0.1699","0.1905","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209397","17.8156","0.0009","8.0962","0.0015","8.389","0.0008","90","","91.771","0.008","90","","1209.4","0.3","150","","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dicaesium pentacyanocuprate(I)","","- C5 Cs2 Cu3 N5 -","- C5 Cs2 Cu3 N5 -","- C20 Cs8 Cu12 N20 -","4","0.5","BR2008","Chippindale, Ann M.; Hibble, Simon J.; Pohl, Alexander H.; Bilbé, Edward J.","Dicaesium pentacyanotricuprate(I), Cs~2~Cu~3~(CN)~5~","Acta Crystallographica Section E","2006","62","7","i140","i142","10.1107/S1600536806020484","","","0.71073","MoKα","","0.0209","0.0167","","0.0204","0.0204","0.0204","","","","","","1.0822","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209398","12.188","0.003","7.553","0.0017","12.703","0.003","90","","108.957","0.004","90","","1106","0.5","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","tripotassium indium(III) hexachloride","","- Cl6 In K3 -","- Cl6 In K3 -","- Cl24 In4 K12 -","4","1","BR2009","Chen, Lin; Wu, Bo-Lin; He, Xiao-Yi; Mi, Jin-Xiao","A monoclinic modification of K~3~[InCl~6~]","Acta Crystallographica Section E","2006","62","7","i143","i144","10.1107/S1600536806020976","","","0.71073","MoKα","","0.0341","0.0314","","","0.0909","0.0928","","","","","","1.123","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2209399","4.3501","0.0003","4.3501","0.0003","9.2129","0.0006","90","","90","","90","","174.34","0.02","295","2","295","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","thorium tin antimonide","thorium tin antimonide (1/0.2/1.8)","","- Sb1.8 Sn0.2 Th -","- Sb1.8 Sn0.2 Th -","- Sb3.6 Sn0.4 Th2 -","2","0.125","BR2010","Tkachuk, Andriy V.; Mar, Arthur","Thorium tin antimonide, ThSn~0.2~Sb~1.8~","Acta Crystallographica Section E","2006","62","7","i158","i159","10.1107/S1600536806023622","","","0.71073","MoKα","","0.0254","0.0254","","","0.066","0.066","","","","","","1.526","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2209400","11.089","0.007","8.936","0.005","17.963","0.013","90","","101.77","0.06","90","","1743","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diammonium diaquapentanitratocerate(III) dihydrate","","- Ce H16 N7 O19 -","- Ce H10 N7 O19 -","- Ce4 H40 N28 O76 -","4","0.5","BR6226","Mahdi Najafpour; Przemysław Starynowicz","Diammonium diaquapentanitratocerate(III) dihydrate","Acta Crystallographica Section E","2006","62","7","i145","i146","10.1107/S1600536806006593","","","0.71073","MoKα","","0.0275","0.0271","","","0.0746","0.0748","","","","","","1.157","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209401","13.3236","0.0014","9.6159","0.0015","7.7331","0.0015","90","","103.992","0.014","90","","961.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","p-ethoxyacetanilide","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","BT2088","Hansen, Lars Kr.; Perlovich, German L.; Bauer-Brandl, Annette","Redetermination of <i>p</i>-ethoxyacetanilide (phenacetin)","Acta Crystallographica Section E","2006","62","7","o2712","o2713","10.1107/S1600536806020551","","","0.71069","MoKα","","0.1","0.0389","","","0.097","0.111","","","","","","0.996","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209402","9.2994","0.0017","9.9531","0.0018","9.9585","0.0019","90","","105.839","0.004","90","","886.7","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[bis(benzimidazole)manganese(II)-di-μ-1,5-dicyanamido]","","- C18 H12 Mn N10 -","- C18 H12 Mn N10 -","- C36 H24 Mn2 N20 -","2","0.5","BT2089","Wang, Shou-Wu; Ge, Hai-Yan; Yang, Jian-Hu; Li, Bao-Long; Zhang, Yong","Poly[[bis(benzimidazole)manganese(II)]-di-μ-1,5-dicyanamido]","Acta Crystallographica Section E","2006","62","7","m1646","m1648","10.1107/S1600536806021040","","","0.71073","MoKα","","0.0268","0.0256","","","0.0736","0.0746","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209403","8.385","0.003","9.272","0.002","20.704","0.008","90","","100.1","0.03","90","","1584.7","0.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfathiazole adduct with pyridine, tetragonal form","sulfathiazole‒pyridine (1/1)","","- C14 H14 N4 O2 S2 -","- C14 H14 N4 O2 S2 -","- C56 H56 N16 O8 S8 -","4","1","BT2091","Tatiana N. Drebushchak; Mikhail A. Mikhailenko; Elena V. Boldyreva; Tatyana P. Shakhtshneider","Monoclinic polymorph of the 1:1 adduct of sulfathiazole with pyridine","Acta Crystallographica Section E","2006","62","7","o2707","o2709","10.1107/S1600536806020071","","","0.71073","MoKα","","0.069","0.0427","","","0.0878","0.1048","","","","","","1.102","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209404","8.3548","0.0006","18.154","0.0013","22.0663","0.0016","90","","90.528","0.001","90","","3346.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","11,18-Diphenoxy-3,26-dioxa-13,16- diazahexacyclo[26.2.2.0^4,9^.0^10,13^.0^16,19^.0^20,25^]dotriaconta- 1(31),4,6,8,20,22,24,28(32),29-nonaene-12,17-dione","","- C40 H34 N2 O6 -","- C40 H34 N2 O6 -","- C160 H136 N8 O24 -","4","1","BT2092","D. Gayathri; D. Latha; D. Velmurugan; K. Ravikumar; M. Arumugam","11,18-Diphenoxy-3,26-dioxa-13,16-diazahexacyclo[26.2.2.0^4,9^.0^10,13^.0^16,19^.0^20,25^]dotriaconta-1(31),4,6,8,20,22,24,28(32),29-nonaene-12,17-dione","Acta Crystallographica Section E","2006","62","7","o3082","o3084","10.1107/S1600536806023567","","","0.71073","MoKα","","0.0522","0.0411","","","0.0967","0.1034","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209405","14.065","0.001","30.189","0.002","5.6414","0.0003","90","","90","","90","","2395.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1E,3E)-4-(Tetra-O-acetyl-D-arabino-tetritol-1-yl)-1-(4-tolyl)-1,2-diaza- 1,3-butadiene","","- C21 H26 N2 O8 -","- C21 H26 N2 O8 -","- C84 H104 N8 O32 -","4","1","BT2095","María Jesús Diánez; María Dolores Estrada; Simeón Pérez-Garrido","(1<i>E</i>,3<i>E</i>)-4-(Tetra-<i>O</i>-acetyl-<small>D</small>-<i>arabino</i>-tetritol-1-yl)-1-(4-tolyl)-1,2-diaza-1,3-butadiene","Acta Crystallographica Section E","2006","62","7","o2811","o2812","10.1107/S1600536806021428","","","0.71069","MoKα","","","0.0459","","","","0.1662","","","","","","0.969","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209406","27.771","0.002","8.2247","0.0004","15.2643","0.0012","90","","117.466","0.003","90","","3093.5","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-(4-Fluorophenyl)-3-pyridin-4-ylquinolin-2(1H)-one","4-(4-Fluorophenyl)-3-(4-pyridyl)quinolin-2(1H)-one","","- C20 H13 F N2 O -","- C20 H13 F N2 O -","- C160 H104 F8 N16 O8 -","8","1","BT2097","Christian Peifer; Schollmeyer, Dieter; Roland Selig; Stefan Laufer","4-(4-Fluorophenyl)-3-(4-pyridyl)quinolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2648","o2650","10.1107/S1600536806020095","","","1.54178","CuKα","","0.0607","0.0571","","","0.1681","0.1742","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209407","11.603","0.002","9.017","0.0018","15.692","0.003","90","","96.9","0.03","90","","1629.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-ylmethoxy]phenylacetate","","- C18 H15 F N2 O4 -","- C18 H15 F N2 O4 -","- C72 H60 F4 N8 O16 -","4","1","BT2098","Liu, Zhi-Qian; Liu, Zhi-Qian; Yan, Xiao-Chen; Wang, Hai-Bo","Methyl 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-ylmethoxy]phenylacetate","Acta Crystallographica Section E","2006","62","7","o2689","o2690","10.1107/S1600536806020319","","","0.71073","MoKα","","0.2151","0.1093","","","0.1785","0.2093","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209408","7.895","0.003","10.704","0.004","14.046","0.004","105.881","0.005","100.025","0.004","99.19","0.004","1097","0.7","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","3-(2,4-dichlorophenyl)-N,N-diethyl-3-(4-methylphenylsulfonylamino)propanamide","","- C20 H24 Cl2 N2 O3 S -","- C20 H24 Cl2 N2 O3 S -","- C40 H48 Cl4 N4 O6 S2 -","2","1","BT2099","Zhi-Fang Yu; Zhi-Min Zhao; Juan Li; Guang Ju","3-(2,4-Dichlorophenyl)-<i>N</i>,<i>N</i>-diethyl-3-(4-methylphenylsulfonylamino)propanamide","Acta Crystallographica Section E","2006","62","7","o3033","o3034","10.1107/S1600536806022380","","","0.71073","MoKα","","0.0632","0.0528","","","0.1258","0.1315","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209409","10.61","0.001","10.61","0.001","13.335","0.001","90","","90","","90","","1501.1","0.2","95","2","95","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","trans-Dichloro(1,4,8,11-tetraazacyclotetradecane)cobalt(III) chloride","","- C10 H24 Cl3 Co N4 -","- C10 H24 Cl3 Co N4 -","- C40 H96 Cl12 Co4 N16 -","4","0.5","BT2100","Radoslava Ivaniková; Svoboda, Ingrid; Fuess, Hartmut; Mašlejová, Anna","<i>trans</i>-Dichloro(1,4,8,11-tetraazacyclotetradecane)cobalt(III) chloride","Acta Crystallographica Section E","2006","62","7","m1553","m1554","10.1107/S1600536806021830","","","0.71073","MoKα","","0.0324","0.0201","","","0.0542","0.0565","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209410","17.0841","0.0006","7.3905","0.0003","17.7937","0.0007","90","","106.875","0.002","90","","2149.89","0.14","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","hydrochlorothiazide N,N-dimethylacetamide solvate (1/2)","6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide dimethylacetamide disolvate","","- C15 H26 Cl N5 O6 S2 -","- C15 H26 Cl N5 O6 S2 -","- C60 H104 Cl4 N20 O24 S8 -","4","1","BT2101","Johnston, Andrea; Florence, Alastair J.; Kennedy, Alan R.","Hydrochlorothiazide <i>N</i>,<i>N</i>-dimethylacetamide disolvate","Acta Crystallographica Section E","2006","62","7","o2926","o2928","10.1107/S1600536806022859","","","0.71073","MoKα","","0.1454","0.0577","","","0.0964","0.1208","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209411","19.601","0.003","9.317","0.0014","22.807","0.003","90","","93.429","0.009","90","","4157.6","1","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Succinimidyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate chloroform solvate","","- C19 H19 Cl3 N2 O6 -","- C19 H19 Cl3 N2 O6 -","- C152 H152 Cl24 N16 O48 -","8","1","BT2103","Bardajee, Ghasem Rezanejade; Winnik, Mitchell A.; Lough, Alan J.","Succinimidyl 7-(diethylamino)-2-oxo-2<i>H</i>-chromene-3-carboxylate chloroform solvate","Acta Crystallographica Section E","2006","62","7","o3079","o3081","10.1107/S160053680602174X","","","0.71073","MoKα","","0.1291","0.0699","","","0.1786","0.2085","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209412","7.0423","0.0007","9.3029","0.0009","11.8285","0.0011","93.707","0.008","100.515","0.008","103.75","0.08","735.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-Ethyl 4-chloro-2-[2-(2,6-dimethylphenyl)hydrazono]-3-oxobutanoate","","- C14 H17 Cl N2 O3 -","- C14 H17 Cl N2 O3 -","- C28 H34 Cl2 N4 O6 -","2","1","BT2104","Alpaslan, Gökhan; Özdamar, Özgür; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan; Erdönmez, Ahmet","(<i>E</i>)-Ethyl 4-chloro-2-[2-(2,6-dimethylphenyl)hydrazono]-3-oxobutanoate","Acta Crystallographica Section E","2006","62","7","o2850","o2851","10.1107/S160053680602215X","","","0.71073","MoKα","","0.066","0.044","","","0.117","0.126","","","","","","1.04","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2209413","9.519","0.0007","6.9424","0.0004","15.7041","0.0011","90","","90","","90","","1037.8","0.12","170","2","170","2","","","","","","","","5","P n m a","-P 2ac 2n","62","methylammonium tetrathiomolybdate","Bis(methylammonium) tetrathiomolybdate(VI)","","- C2 H12 Mo N2 S4 -","- C2 H12 Mo N2 S4 -","- C8 H48 Mo4 N8 S16 -","4","0.5","BT2106","Srinivasan, Bikshandarkoil R.; Näther, Christian; Naik, Ashish R.; Bensch, Wolfgang","Bis(methylammonium) tetrathiomolybdate(VI)","Acta Crystallographica Section E","2006","62","7","m1635","m1637","10.1107/S1600536806022410","","","0.71073","MoKα","","0.0327","0.0276","","","0.0713","0.0738","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209414","8.6066","0.0017","10.156","0.002","11.161","0.002","65.26","0.03","71.76","0.03","78.68","0.03","839.1","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua-μ~4~-benzene-1,4-dicarboxylato-di-μ~2~-benzene-1,4-dicarboxylato- bis(N,N'-dimethylformamide)digadolinium(III)]","","- C30 H30 Gd2 N2 O16 -","- C30 H30 Gd2 N2 O16 -","- C30 H30 Gd2 N2 O16 -","1","0.5","BT2107","Wen-Zhi Zhang","Poly[diaqua-μ~4~-benzene-1,4-dicarboxylato-di-μ~2~-benzene-1,4-dicarboxylato-bis(<i>N</i>,<i>N</i>'-dimethylformamide)digadolinium(III)]","Acta Crystallographica Section E","2006","62","7","m1600","m1602","10.1107/S1600536806022884","","","0.71073","MoKα","","0.0189","0.0173","","","0.0418","0.0423","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209415","16.933","0.004","10.918","0.003","28.116","0.006","90","","90","","90","","5198","2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[diaqua(2-sulfonatobenzoato-κ^2^O:O')zinc(II)]- μ~2~-1,3-di-4-pyridylpropane-κ^2^N:N'] N,N-dimethylformamide solvate]","","- C23 H29 N3 O8 S Zn -","- C23 H29 N3 O8 S Zn -","- C184 H232 N24 O64 S8 Zn8 -","8","1","BT2108","Hong-Ping Xiao","<i>catena</i>-Poly[[[diaqua(2-sulfonatobenzoato-κ^2^<i>O</i>:<i>O</i>')zinc(II)]-μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>'] <i>N</i>,<i>N</i>-dimethylformamide solvate]","Acta Crystallographica Section E","2006","62","7","m1611","m1612","10.1107/S1600536806022781","","","0.71073","MoKα","","0.079","0.0722","","","0.1381","0.1409","","","","","","1.349","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209416","7.5696","0.0017","9.725","0.002","10.446","0.002","88.964","0.004","77.971","0.004","68.169","0.003","696.7","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","9-(4-methyoxylbenzoyl)-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one","9-(4-methyoxylbenzoyl)-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","BT2109","Tao Peng; Sheng-Jiao Yan; Chu-Yi Yu; Zhi-Tang Huang","9-(4-Methyoxylbenzoyl)-1,2,3,4,7,8-hexahydropyrido[1,2-<i>a</i>]pyrimidin-6-one","Acta Crystallographica Section E","2006","62","7","o3040","o3041","10.1107/S1600536806023531","","","0.71073","MoKα","","0.0503","0.0369","","","0.0989","0.111","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209417","9.758","0.005","11.686","0.006","11.253","0.006","90","","90.18","0.007","90","","1283.2","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Salicifoline chloride","2-(3-Hydroxy-4-methoxyphenyl)-N,N,N-trimethylethanaminium chloride","","- C12 H20 Cl N O2 -","- C12 H20 Cl N O2 -","- C48 H80 Cl4 N4 O8 -","4","1","BT2111","Efdi, Mai; Koketsu, Mamoru; Ebihara, Masahiro; Ishihara, Hideharu","2-(3-Hydroxy-4-methoxyphenyl)-<i>N</i>,<i>N</i>,<i>N</i>-trimethylethanaminium chloride","Acta Crystallographica Section E","2006","62","7","o2993","o2994","10.1107/S1600536806023361","","","0.7107","MoKα","","0.0949","0.0727","","","0.1118","0.1189","","","","","","1.246","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209418","15.9533","0.0011","11.4385","0.0006","15.4545","0.001","90","","114.736","0.005","90","","2561.4","0.3","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[1-(but-2-enyl)-5-nitro-1H-benzimidazole-κN^3^]dichlorocobalt(II)","","- C22 H22 Cl2 Co N6 O4 -","- C22 H22 Cl2 Co N6 O4 -","- C88 H88 Cl8 Co4 N24 O16 -","4","0.5","BT2112","Şerife Pınar; Mehmet Akkurt; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör","Bis[1-(but-2-enyl)-5-nitro-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]dichlorocobalt(II)","Acta Crystallographica Section E","2006","62","7","m1663","m1665","10.1107/S160053680602352X","","","0.71073","MoKα","","0.0561","0.0429","","","0.1068","0.1136","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209419","33.549","0.007","8.1406","0.0015","23.584","0.004","90","","90.032","0.008","90","","6441","2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis(1,10-phenanthroline)(3-sulfonatobenzoato)manganese(II) tetrahydrate","","- C31 H30 Mn N4 O10 S -","- C31 H30 Mn N4 O10 S -","- C248 H240 Mn8 N32 O80 S8 -","8","1","BT2113","Yang, Teng-Jiao; Xiao, Hong-Ping; Zhu, Long-Guan","Aquabis(1,10-phenanthroline)(3-sulfonatobenzoato)manganese(II) tetrahydrate","Acta Crystallographica Section E","2006","62","7","m1671","m1672","10.1107/S1600536806023725","","","0.71073","MoKα","","0.0748","0.0647","","","0.1399","0.1454","","","","","","1.162","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209420","13.9581","0.0002","13.1337","0.0006","4.011","0.0007","90","","90","","90","","735.3","0.13","90","0.2","90","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","6-nitroguaiacol","2-methoxy-3-nitrophenol","","- C7 H7 N O4 -","- C7 H7 N O4 -","- C28 H28 N4 O16 -","4","1","BT2114","Behrman, David M.; Behrman, E. J.; Parkin, Sean","2-Methoxy-3-nitrophenol","Acta Crystallographica Section E","2006","62","7","o3119","o3121","10.1107/S1600536806023713","","","0.71073","MoKα","","0.059","0.0392","","","0.092","0.1041","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209421","23.401","0.001","16.843","0.001","17.186","0.001","90","","123.71","0.001","90","","5634.8","0.5","299","2","299","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[4-fluoro-N-(quinolin-8-yl)benzenesulfonamidato-κ^2^N,N']zinc(II) hemihydrate","","- C30 H21 F2 N4 O4.5 S2 Zn -","- C30 H21 F2 N4 O4.5 S2 Zn -","- C240 H168 F16 N32 O36 S16 Zn8 -","8","1","BT2115","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","Bis[4-fluoro-<i>N</i>-(quinolin-8-yl)benzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']zinc(II) hemihydrate","Acta Crystallographica Section E","2006","62","7","m1719","m1721","10.1107/S1600536806024111","","","0.71073","MoKα","","0.1086","0.0565","","","0.1198","0.1427","","","","","","1.074","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2209422","9.783","0.003","13.849","0.003","14.237","0.003","76.285","0.013","89.264","0.012","75.609","0.012","1812.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N,N',N''-triphenylguanidinium nitrate","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C76 H72 N16 O12 -","4","2","BT2116","Pereira Silva, P. S.; Paixão, J. A.; Ramos Silva, M.; Matos Beja, A.","<i>N</i>,<i>N</i>',<i>N</i>'''-Triphenylguanidinium nitrate","Acta Crystallographica Section E","2006","62","7","o3073","o3075","10.1107/S1600536806024068","","","0.71073","MoKα","","0.1199","0.0542","","","0.134","0.1652","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209423","7.486","0.005","12.041","0.008","29.07","0.02","90","","90.349","0.016","90","","2620","3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromotricarbonyl{15-[2-(methylsulfanyl)ethylsulfanyl]pentadecanoic acid-κ^2^S,S'}rhenium(I)","","- C21 H36 Br O5 Re S2 -","- C20.997 H36 Br O4.997 Re S2 -","- C83.988 H144 Br4 O19.988 Re4 S8 -","4","1","BT2118","Werner Kraus; Martin Walther; Christian M. Jung; Franziska Emmerling; Hans-Jürgen Pietzsch","Bromotricarbonyl{15-[2-(methylsulfanyl)ethylsulfanyl]pentadecanoic acid-κ^2^<i>S</i>,<i>S</i>'}rhenium(I)","Acta Crystallographica Section E","2006","62","7","m1660","m1662","10.1107/S1600536806024081","","","0.71073","MoKα","","0.0688","0.0611","","","0.1553","0.16","","","","","","1.075","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2209424","5.9927","0.0009","7.8267","0.0012","25.971","0.004","90","","96.184","0.004","90","","1211","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[(2-phenylethyl)ammonium [dichloromercurate(II)-μ~3~-chloro]]","","- C8 H12 Cl3 Hg N -","- C8 H12 Cl3 Hg N -","- C32 H48 Cl12 Hg4 N4 -","4","1","BT2121","Rademeyer, Melanie; David G. Billing; A. Lemmerer","<i>catena</i>-Poly[(2-phenylethyl)ammonium [dichloromercurate(II)-μ~3~-chloro]]","Acta Crystallographica Section E","2006","62","7","m1716","m1718","10.1107/S1600536806024135","","","0.71073","MoKα","","0.0834","0.0647","","","0.166","0.1709","","","","","","1.376","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209425","6.3813","0.0018","16.758","0.005","22.214","0.006","96.538","0.005","92.822","0.004","95.274","0.005","2345.8","1.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2,3-Bis[(1-phenyl-1H-tetrazol-5-ylsulfanyl)methyl]quinoxaline","","- C24 H18 N10 S2 -","- C24 H18 N10 S2 -","- C96 H72 N40 S8 -","4","2","BV2012","Wei Wang; Ning-Ning Pan; Bing Zhao","2,3-Bis[(1-phenyl-1<i>H</i>-tetrazol-5-ylsulfanyl)methyl]quinoxaline","Acta Crystallographica Section E","2006","62","7","o2817","o2818","10.1107/S1600536806021659","","","0.71073","MoKα","","0.1116","0.0436","","","0.0984","0.133","","","","","","0.992","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209426","6.0678","0.0007","8.7476","0.0009","15.0449","0.0018","104.435","0.006","94.885","0.006","103.676","0.006","742.57","0.15","150","","150","","","","","","","","","4","P -1","-P 1","2","","4-{[3,5-Bis(methoxycarbonyl)-4,5-dihydro-1H-pyrazol-5-yl)]methylamino}pyridine 1-oxide monohydrate","","- C13 H18 N4 O6 -","- C13 H18 N4 O6 -","- C26 H36 N8 O12 -","2","1","BV2013","Hostetler, Katherine J.; Poole, James S.; Fanwick, Phillip E.","4-{[3,5-Bis(methoxycarbonyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]methylamino}pyridine 1-oxide monohydrate","Acta Crystallographica Section E","2006","62","7","o3015","o3016","10.1107/S1600536806021970","","","0.71073","MO-Kα","","0.064","0.046","","","0.122","0.131","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209427","7.543","0.004","7.395","0.004","15.058","0.008","90","","99.278","0.007","90","","829","0.8","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-(Trifluoromethyl)benzaldehyde oxime","","- C8 H6 F3.01 N O -","- C8.003 H6 F3.009 N O -","- C32.012 H24 F12.036 N4 O4 -","4","1","BV2015","Xi-Zhao Wang; Jian-Wu Wang","(<i>E</i>)-4-(Trifluoromethyl)benzaldehyde oxime","Acta Crystallographica Section E","2006","62","7","o2683","o2684","10.1107/S1600536806020757","","","0.71073","MoKα","","0.0628","0.054","","","0.1396","0.1479","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2209428","7.6299","0.0003","11.3388","0.0005","14.4189","0.0006","90","","102.979","0.002","90","","1215.57","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-N'-(3-Chlorobenzylidene)isonicotinohydrazide","","- C13 H10 Cl N3 O -","- C13 H10 Cl N3 O -","- C52 H40 Cl4 N12 O4 -","4","1","BV2016","Qiu, Xiao-Yang; Ma, Ji-Long; Liu, Wei-Sheng; Zhu, Hai-Liang","(<i>E</i>)-<i>N</i>'-(3-Chlorobenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2006","62","7","o2685","o2686","10.1107/S160053680601991X","","","0.71073","MoKα","","0.1217","0.061","","","0.1392","0.169","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209429","7.6462","0.0002","11.378","0.0003","14.4193","0.0004","90","","101.898","0.001","90","","1227.51","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-N'-(3-Bromobenzylidene)isonicotinohydrazide","","- C13 H10 Br N3 O -","- C13 H10 Br N3 O -","- C52 H40 Br4 N12 O4 -","4","1","BV2017","Qiu, Xiao-Yang; Yang, Sen-Lin; Liu, Wei-Sheng; Zhu, Hai-liang","(<i>E</i>)-<i>N</i>'-(3-Bromobenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2006","62","7","o2687","o2688","10.1107/S1600536806019921","","","0.71073","MoKα","","0.0838","0.0411","","","0.0989","0.1159","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209430","11.0337","0.0001","11.2671","0.0001","22.8406","0.0001","82.02","0.001","89.865","0.001","73.03","0.001","2687.37","0.04","87","2","87","2","","","","","","","","6","P -1","-P 1","2","","[4-(Ferrocene-1-carboxamido)pyridine](tetraphenylporphyrinato)zinc(II) toluene 1.5-solvate","","- C70.5 H54 Fe N6 O Zn -","- C70.5 H53.5 Fe N6 O Zn -","- C141 H107 Fe2 N12 O2 Zn2 -","2","1","BV2018","Boyd, Peter D. W.; Hosseini, Ali","[4-(Ferrocene-1-carboxamido)pyridine](tetraphenylporphyrinato)zinc(II) toluene sesquisolvate","Acta Crystallographica Section E","2006","62","7","m1542","m1544","10.1107/S1600536806021490","","","0.71073","MoKα","","0.0908","0.0602","","","0.1357","0.152","","","","","","1.018","","","","has coordinates,has Fobs","208159","2020-10-21","18:00:00",""
"2209431","5.7993","0.0014","8.539","0.002","11.319","0.003","76.495","0.003","83.689","0.003","78.879","0.003","533.5","0.2","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","11H-Dibenzo[b,e]azepin-6(5H)-one","","- C14 H11 N O -","- C14 H11 N O -","- C28 H22 N2 O2 -","2","1","BV2019","Qing-Bin Li; Wei-Chun Yang; Yong-Jun Han; Xiao-Jun Zhao","11<i>H</i>-Dibenzo[<i>b</i>,<i>e</i>]azepin-6(5<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o3021","o3022","10.1107/S1600536806021957","","","0.71073","MoKα","","0.0519","0.0423","","","0.1007","0.1065","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209432","7.1336","0.0006","10.7203","0.0008","20.9384","0.0017","100.676","0.002","96.322","0.002","107.096","0.002","1480.7","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Strontium methyl fumarate hydrate","Poly[[tetraaquatris(monomethyl fumarato)distrontium(II)] monomethyl fumarate] at 120 K","","- C20 H28 O20 Sr2 -","- C20 H28 O20 Sr2 -","- C40 H56 O40 Sr4 -","2","1","BV2021","Kenny Stahl; Jens E. T. Andersen; Henrik Nilsson","Poly[[tetraaquatris(monomethyl fumarato)distrontium(II)] monomethyl fumarate] at 120 K","Acta Crystallographica Section E","2006","62","7","m1677","m1679","10.1107/S1600536806023920","","","0.71073","MoKα","","0.0608","0.0375","","","0.0756","0.095","","","","","","0.872","","","","has coordinates","223448","2020-10-21","18:00:00",""
"2209433","9.706","0.0014","12.0125","0.0012","16.2342","0.0013","90","","90","","90","","1892.8","0.4","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Benzoyl-N,N'-dicyclohexylurea","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","BX2008","Orea Flores, Ma. Laura; Galindo Guzmán, Alberto; Gnecco Medina, Dino; Bernès, Sylvain","<i>N</i>-Benzoyl-<i>N</i>,<i>N</i>'-dicyclohexylurea","Acta Crystallographica Section E","2006","62","7","o2922","o2923","10.1107/S1600536806022173","","","0.71073","MoKα","","0.0577","0.0365","","","0.0809","0.0917","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209434","15.321","0.006","6.654","0.002","16.792","0.005","90","","90.361","0.015","90","","1711.8","1","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(phenylthiomethyl)pyridinium-4-olate","","- C19 H17 N O S2 -","- C19 H17 N O S2 -","- C76 H68 N4 O4 S8 -","4","1","BX2009","Luo, Cheng-Cai; Zhang, Hua-Xing; Jin, Ting; Yang, Zhi-Jie","2,6-Bis(phenylsulfanylmethyl)pyridinium-4-olate","Acta Crystallographica Section E","2006","62","7","o2705","o2706","10.1107/S1600536806020915","","","0.71075","MoKα","","","0.0362","","","","0.1001","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209435","8.265","0.0017","30.986","0.006","7.92","0.0016","90","","116.94","0.03","90","","1808.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(4-Hydroxyphenyl)butan-1-one","","- C10 H12 O2 -","- C10 H12 O2 -","- C80 H96 O16 -","8","2","CF2027","Bin Xu; Zhi-Qiang Feng; Jin-Tang Wang; Li-Gang Hu; Jian Huang","1-(4-Hydroxyphenyl)butan-1-one","Acta Crystallographica Section E","2006","62","7","o2603","o2605","10.1107/S160053680602040X","","","0.71073","MoKα","","0.1808","0.0994","","","0.1446","0.1679","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209436","18.9815","0.0006","6.6643","0.0002","14.8702","0.0004","90","","90","","90","","1881.06","0.1","123","2","","","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>m</i>-Nitrophenylmaleimide","","- C10 H6 N2 O4 -","- C10 H6 N2 O4 -","- C80 H48 N16 O32 -","8","2","CF2029","Moreno-Fuquen, Rodolfo; Valencia, Hoover; Pardo, Zulay Diney; D'Vries, Richard; Kennedy, Alan R.","<i>N</i>-(3-Nitrophenyl)maleimide","Acta Crystallographica Section E","2006","62","7","o2734","o2735","10.1107/S1600536806020940","","","0.71073","MoKα","","0.068","0.045","","","0.105","0.119","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209437","6.1419","0.0012","7.0145","0.0013","31.244","0.004","90","","90","","90","","1346.1","0.4","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 4-<i>O</i>-pivaloyl-β-<i>D</i>-xylopyranoside","","- C11 H20 O6 -","- C11 H20 O6 -","- C44 H80 O24 -","4","1","CF2030","Vesna Petrović; Ivan Halasz; Srđanka Tomić; Dubravka Matković Čalogović","Methyl 4-<i>O</i>-pivaloyl-β-<small>D</small>-xylopyranoside","Acta Crystallographica Section E","2006","62","7","o2746","o2748","10.1107/S1600536806021052","","","0.71073","MoKα","","0.0655","0.0513","","","0.1474","0.1587","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209438","12.456","0.004","8.0362","0.0011","13.533","0.003","90","","112.86","0.02","90","","1248.2","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-ibuprofen","S(+)-2-(4-Isobutylphenyl)propionic acid","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","CF2031","Hansen, Lars Kr.; Perlovich, German L.; Bauer-Brandl, Annette","Redetermination and H-atom refinement of (<i>S</i>)-(+)-ibuprofen. Corrigendum.","Acta Crystallographica Section E","2006","62","7","e17","e18","10.1107/S1600536806020575","","","0.71069","MoKα","","0.079","0.0385","","","0.091","0.1043","","","","","","0.987","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209439","8.7797","0.0001","18.3601","0.0005","14.6181","0.0003","90","","108.775","0.001","90","","2231","0.08","102","2","102","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Isopentyltriphenylphosphonium bromide","Isopentyltriphenylphosphonium bromide methanol solvate","","- C24 H30 Br O P -","- C24 H30 Br O P -","- C96 H120 Br4 O4 P4 -","4","1","CF2033","Edmund W. Czerwinski","Isopentyltriphenylphosphonium bromide methanol solvate","Acta Crystallographica Section E","2006","62","7","o2941","o2942","10.1107/S1600536806022197","","","1.5418","CuKα","","0.0432","0.0383","","","","0.1053","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209440","19.405","0.004","10.632","0.002","30.693","0.006","90","","95.4","0.03","90","","6304","2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis[μ~3~bis(<i>tert</i>-butylamido)bis(<i>tert</i>-butylimido)silyl] di-μ~3~-chloro-tetratetrahydrofuranhexalithium(I)","","- C48 H108 Cl2 Li6 N8 O4 Si2 -","- C48 H108 Cl2 Li6 N8 O4 Si2 -","- C192 H432 Cl8 Li24 N32 O16 Si8 -","4","0.5","CF2034","Copsey, May C.; Balakrishna, Maravanji S.; Chivers, Tristram","A lithium complex of a bis(amido)bis(imido)silicate dianion","Acta Crystallographica Section E","2006","62","7","m1683","m1685","10.1107/S1600536806022161","","","0.71073","MoKα","","0.0976","0.0583","","","0.1302","0.1483","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209441","7.8683","0.0008","11.5269","0.0012","11.8954","0.0012","92.974","0.002","107.609","0.002","98.142","0.002","1012.82","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","5-(3-Bromobenzylideneamino)-4-chloro-1-[2,6-dichloro-4- (trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile","","- C18 H7 Br Cl3 F3 N4 -","- C18 H7 Br Cl3 F3 N4 -","- C36 H14 Br2 Cl6 F6 N8 -","2","1","CF2035","Li, Shu-Yan; Zhong, Ping; Hu, Mao-Lin","5-(3-Bromobenzylideneamino)-4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2006","62","7","o2832","o2833","10.1107/S1600536806022124","","","0.71073","MoKα","","0.0872","0.0585","","","0.1365","0.1526","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209442","11.014","0.002","17.131","0.004","19.055","0.004","90","","100.498","0.007","90","","3535.1","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{N-[2-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3-phenylpropionyl]anilino}- 1-phenethylpiperidinium chloride methanol disolvate","","- C38 H44 Cl N3 O5 -","- C38 H44 Cl N3 O5 -","- C152 H176 Cl4 N12 O20 -","4","1","CF2036","Petrov, Ravil R.; Vardanyan, Ruben S.; Nichol, Gary S.; Carducci, Michael D.; Ma, Shou-wu; Lai, Josephine Y.; Hruby, Victor J.","4-{<i>N</i>-[2-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3-phenylpropionyl]anilino}-1-phenethylpiperidinium chloride methanol disolvate","Acta Crystallographica Section E","2006","62","7","o2815","o2816","10.1107/S1600536806021817","","","0.71073","MoKα","","0.1152","0.067","","","0.1735","0.2311","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209443","22.01","0.004","47.491","0.005","5.436","0.002","90","","90","","90","","5682","2","298","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Bis{4-Bromo-2-[3-(methylammonio)propyliminomethyl]phenolato}zinc(II) dinitrate","","- C22 H30 Br2 N6 O8 Zn -","- C22 H30 Br2 N6 O8 Zn -","- C176 H240 Br16 N48 O64 Zn8 -","8","0.5","CI2065","Qing Wang; Xiao-Niu Fang","Bis{4-Bromo-2-[3-(methylammonio)propyliminomethyl]phenolato}zinc(II) dinitrate","Acta Crystallographica Section E","2006","62","7","m1558","m1559","10.1107/S1600536806021908","","","0.71073","MoKα","","0.206","0.0892","","","0.1864","0.2399","","","","","","0.945","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209445","32.228","0.003","10.405","0.001","23.817","0.002","90","","130.7","0.01","90","","6054.9","1.3","299","2","299","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Bis[4-fluoro-N-(quinolin-8-yl)benzenesulfonamidato-κ^2^N,N']copper(II) dichloromethane hemisolvate","","- C30.5 H21 Cl Cu F2 N4 O4 S2 -","- C30.5 H21 Cl Cu F2 N4 O4 S2 -","- C244 H168 Cl8 Cu8 F16 N32 O32 S16 -","8","1","CI2067","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","Bis[4-fluoro-<i>N</i>-(quinolin-8-yl)benzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']copper(II) dichloromethane hemisolvate","Acta Crystallographica Section E","2006","62","7","m1606","m1608","10.1107/S1600536806022215","","","0.71073","MoKα","","0.0785","0.0651","","","0.1846","0.2008","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2209446","11.393","0.002","16.523","0.003","22.487","0.003","90","","99.96","0.01","90","","4169.3","1.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetramethylbenzidine","4,4'-Diamino-2,2',6,6'-tetramethylbiphenyl","","- C16 H20 N2 -","- C16 H20 N2 -","- C192 H240 N24 -","12","3","CI2068","Batsanov, Andrei S.; Low, Paul J.; Paterson, Michael A. J.","4,4'-Diamino-2,2',6,6'-tetramethylbiphenyl","Acta Crystallographica Section E","2006","62","7","o2973","o2975","10.1107/S1600536806022756","","","0.71073","MoKα","","0.064","0.0474","","","0.1263","0.1404","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209447","20.2212","0.0005","18.0889","0.0004","5.1003","0.0001","90","","90","","90","","1865.58","0.07","100","0.1","297","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","4-Methyl-3H-pyrrolo[2,3-c]quinoline","4-Methyl-3H-pyrrolo[2,3-c]quinoline","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","2","CI2069","Akkharawit Kanjana-opas; Somrak Panphon; Hoong-Kun Fun; Suchada Chantrapromma","4-Methyl-3<i>H</i>-pyrrolo[2,3-<i>c</i>]quinoline","Acta Crystallographica Section E","2006","62","7","o2728","o2730","10.1107/S1600536806021088","","","0.71073","MoKα","","0.0417","0.037","","","0.0896","0.0994","","","","","","1.072","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209448","9.4664","0.0018","9.5316","0.0017","23.823","0.005","90","","90","","90","","2149.5","0.7","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(3-Fluorobenzyl)-2-thioxo-2,3,5,6-tetrahydropyrimidin-4(1H)-one","","- C11 H11 F N2 O S -","- C11 H11 F N2 O S -","- C88 H88 F8 N16 O8 S8 -","8","1","CI2070","Chen-Xia Yu; Chang-Sheng Yao; Shu-Jiang Tu; Xiang-Shan Wang; Hong Jiang","3-(3-Fluorobenzyl)-2-thioxo-2,3,5,6-tetrahydropyrimidin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2981","o2982","10.1107/S1600536806022422","","","0.71073","MoKα","","0.0744","0.0384","","","0.0865","0.1033","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209449","9.818","0.002","11.948","0.002","15.318","0.003","90","","108.41","0.03","90","","1704.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bromomercury(II)]-di-μ-bromo-κ^4^Br:Br-[bromomercury(II)]- μ-1,3-bis(ethylsulfanyl)propane-κ^2^S:S']","","- C7 H15 Br4 Hg2 S2 -","- C7 H15 Br4 Hg2 S2 -","- C28 H60 Br16 Hg8 S8 -","4","0.5","CI2073","Cui, Yun-Cheng; Che, Guang-Bo; Lin, Xian-Feng; Liu, Chun-Bo","<i>catena</i>-Poly[[bromomercury(II)]-di-μ-bromo-κ^4^<i>Br</i>:<i>Br</i>-[bromomercury(II)]-μ-1,3-bis(ethylsulfanyl)propane-κ^2^<i>S</i>:<i>S</i>']","Acta Crystallographica Section E","2006","62","7","m1595","m1596","10.1107/S1600536806022318","","","0.71073","MoKα","","0.0415","0.0332","","","0.07","0.0729","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209450","9.804","0.006","10.226","0.007","13.055","0.008","99.985","0.011","90.178","0.011","106.223","0.01","1235.8","1.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-[3-Ethoxy-4-(2-phenoxyethoxy)benzylideneamino]-1,5-dimethyl-2-phenyl- 1H-pyrazol-3(2H)-one","","- C28 H29 N3 O4 -","- C28 H29 N3 O4 -","- C56 H58 N6 O8 -","2","1","CI2077","Zhang, Wen-Jun; Duan, Zhong-Yu; Zhao, Xin","(<i>E</i>)-4-[3-Ethoxy-4-(2-phenoxyethoxy)benzylideneamino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2963","o2964","10.1107/S160053680602304X","","","0.71073","MoKα","","0.0794","0.0448","","","0.1057","0.1299","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209451","12.094","0.002","8.562","0.0017","18.186","0.004","90","","108.92","0.03","90","","1781.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-amino-1-(3-nitrophenyl)-1H-naphtho[2,1-<i>b</i>]furan-2-carboxylate","","- C21 H16 N2 O5 -","- C21 H16 N2 O5 -","- C84 H64 N8 O20 -","4","1","CI2078","Guo, Cheng; Zhang, Dong-Mei; Tang, Qing-Gang; Zha, Jun-Jie","Methyl 3-amino-1-(3-nitrophenyl)-1<i>H</i>-naphtho[2,1-<i>b</i>]pyran-2-carboxylate","Acta Crystallographica Section E","2006","62","7","o2995","o2996","10.1107/S1600536806023427","","","0.71073","MoKα","","0.1133","0.0616","","","0.1533","0.1859","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209452","22.837","0.006","7.906","0.002","17.92","0.004","90","","105.955","0.005","90","","3110.8","1.3","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-amino-5,6,7,8-tetrahydro-4-p-tolylnaphthalene-1,3-dicarbonitrile","","- C19 H17 N3 -","- C19 H17 N3 -","- C152 H136 N24 -","8","1","CI2079","Liang-Ce Rong; Xiao-Yue Li; Hai-Ying Wang; Chang-Sheng Yao; Da-Qing Shi","2-Amino-5,6,7,8-tetrahydro-4-<i>p</i>-tolylnaphthalene-1,3-dicarbonitrile","Acta Crystallographica Section E","2006","62","7","o3004","o3006","10.1107/S1600536806023208","","","0.71073","MoKα","","0.1233","0.0489","","","0.1177","0.1572","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209453","16.831","0.003","7.4587","0.0011","18.993","0.003","90","","99.099","0.003","90","","2354.3","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-[4-(4-Chlorobenzyloxy)-3-methoxybenzylideneamino]-1,5-dimethyl-2-phenyl- 1H-pyrazol-3(2H)-one","","- C26 H24 Cl N3 O3 -","- C26 H24 Cl N3 O3 -","- C104 H96 Cl4 N12 O12 -","4","1","CI2082","Duan, Zhong-Yu; Li, Gang; Zhang, Wen-Jun; Han, En-Shan; Du, Feng-Yun","(E)-4-[4-(4-Chlorobenzyloxy)-3-methoxybenzylideneamino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o3103","o3104","10.1107/S1600536806024123","","","0.71073","MoKα","","0.0872","0.0426","","","0.0958","0.117","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209454","11.26","0.013","12.74","0.02","12.81","0.02","90","","100.76","0.13","90","","1805","5","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenyl N-[2-(acetylamino)biphenyl-4-yl]carbamate","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","CS2005","Molčanov, Krešimir; Radić Stojković, Marijana; Piantanida, Ivo; Žinić, Mladen","Conformational axial chirality of phenyl <i>N</i>-[2-(acetylamino)biphenyl-4-yl]carbamate","Acta Crystallographica Section E","2006","62","7","o2666","o2668","10.1107/S1600536806020125","","","1.54184","CuKα","","","0.0385","","","","0.1103","","","","","","1.018","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209455","7.67102","0.00018","10.5483","0.0002","18.8867","0.0004","90","","95.58","0.0012","90","","1521","0.06","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Azabicyclo[3.3.1]nonane-2,4-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","2","CV2057","Hulme, Ashley T; Fernandes, Philippe; Florence, Alastair; Johnston, Andrea; Shankland, Kenneth","Powder study of 3-azabicyclo[3.3.1]nonane-2,4-dione form 2","Acta Crystallographica Section E","2006","62","7","o3046","o3048","10.1107/S1600536806023312","","","1.54056","CuKα~1~","","","","","","","","","","4.306","","","","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209456","20.9467","0.0006","16.3352","0.0005","8.0916","0.0001","90","","97.486","0.001","90","","2745.09","0.12","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,15-Bis(3,5-di-<i>tert</i>-butylphenyl)-3,7,13,17- tetramethyl-2,8,12,18-tetrapropylporphyrin","","- C64 H86 N4 -","- C64 H86 N4 -","- C128 H172 N8 -","2","0.5","CV2058","Boyd, Peter D. W.; Chaker, Leila; Rickard, Clifton E.F.","5,15-Bis(3,5-di-<i>tert</i>-butylphenyl)-3,7,13,17-tetramethyl-2,8,12,18-tetrapropylporphyrin","Acta Crystallographica Section E","2006","62","7","o2627","o2629","10.1107/S1600536806020654","","","0.71073","MoKα","","0.1842","0.0875","","","0.145","0.1824","","","","","","1.056","","","","has coordinates,has Fobs","208163","2020-10-21","18:00:00",""
"2209457","10.195","0.002","15.524","0.003","10.498","0.002","90","","92.28","0.03","90","","1660.2","0.6","293","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Difluoro[1-(1-naphthyliminomethyl)-2-naphtholato-N,O]boron","","- C21 H14 B F2 N O -","- C21 H14 B F2 N O -","- C84 H56 B4 F8 N4 O4 -","4","1","CV2059","Xia, Min; Ge, Shao-Qin; Li, Xiang-Sheng","Difluoro[1-(1-naphthyliminomethyl)-2-naphtholato-<i>N</i>,<i>O</i>]boron","Acta Crystallographica Section E","2006","62","7","o2625","o2626","10.1107/S160053680602068X","","","0.71069","MoKα","","0.0758","0.0438","","","0.1097","0.1217","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209458","13.345","0.003","6.817","0.001","11.033","0.002","90","","118.49","0.03","90","","882.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl pyridine-2,6-dicarboxylate","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","0.5","CV2060","Jian-Ying Huang; Wei Xu","Dimethyl pyridine-2,6-dicarboxylate","Acta Crystallographica Section E","2006","62","7","o2653","o2654","10.1107/S160053680601988X","","","0.71073","MoKα","","0.0504","0.0367","","","0.1121","0.1175","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209459","8.67","0.002","8.67","0.002","20.927","0.01","90","","90","","90","","1573.1","0.9","295","2","295","2","","","","","","","","5","P 41","P 4w","76","sulfathiazole adduct with pyridine, tetragonal form","sulfathiazole‒pyridine (1/1)","","- C14 H14 N4 O2 S2 -","- C14 H14 N4 O2 S2 -","- C56 H56 N16 O8 S8 -","4","1","CV2061","Tatiana N. Drebushchak; Mikhail A. Mikhailenko; Elena V. Boldyreva; Tatyana P. Shakhtshneider","Tetragonal polymorph of the 1:1 adduct of sulfathiazole with pyridine","Acta Crystallographica Section E","2006","62","7","o2669","o2671","10.1107/S1600536806020101","","","0.71073","MoKα","","0.1216","0.064","","","0.1012","0.1322","","","","","","1.166","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209460","11.249","0.002","10.506","0.002","10.376","0.002","90","","90","","90","","1226.3","0.4","293","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-2-Acetyl-3-hydroxy-N-phenylbut-2-enethioamide","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","1","CV2062","Hai-Lian Xiao; Fang-Fang Jian","(<i>E</i>)-2-Acetyl-3-hydroxy-<i>N</i>-phenylbut-2-enethioamide","Acta Crystallographica Section E","2006","62","7","o2854","o2855","10.1107/S1600536806020216","","","0.71073","MoKα","","0.0636","0.0475","","","0.1325","0.146","","","","","","0.938","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209461","7.4644","0.0014","16.138","0.003","24.402","0.005","90","","97.676","0.003","90","","2913.1","1","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-6-chloro-8-p-tolylpteridin-7(8H)-one dichloromethane hemisolvate","","- C13.5 H11 Cl2 N5 O -","- C13.5 H11 Cl2 N5 O -","- C108 H88 Cl16 N40 O8 -","8","2","CV2063","Chong-Gang Duan; Jiong Jia; Jian-Wu Wang","4-Amino-6-chloro-8-<i>p</i>-tolylpteridin-7(8<i>H</i>)-one dichloromethane hemisolvate","Acta Crystallographica Section E","2006","62","7","o2680","o2682","10.1107/S1600536806020678","","","0.71073","MoKα","","0.094","0.0541","","","0.1264","0.1445","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209462","10.7538","0.0005","19.3999","0.0009","8.79","0.0003","90","","112.886","0.002","90","","1689.44","0.13","120","2","120","2","","","","","","","","3","C 1 c 1","C -2yc","9","","2-(2-Methylphenyl)-4,5-diphenyl-1<i>H</i>-imidazole","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","CV2065","Seethalakshmi, T.; Puratchikody, A.; Lynch, Daniel E.; Kaliannan, P.; Thamotharan, S.","2-(2-Methylphenyl)-4,5-diphenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2006","62","7","o2803","o2804","10.1107/S160053680602109X","","","0.71073","MoKα","","0.0486","0.0408","","","0.0985","0.1028","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209463","15.7845","0.0008","10.6592","0.0014","16.872","0.002","90","","90","","90","","2838.7","0.5","299","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-benzyl-1-(dimethylamino)-2-methyl-1-oxopropan-2-aminium bromide","","- C13 H21 Br N2 O -","- C13 H21 Br N2 O -","- C104 H168 Br8 N16 O8 -","8","1","CV2066","Pavel Tuzina; Andreas Fischer; Peter Somfai","<i>N</i>-Benzyl-1-(dimethylamino)-2-methyl-1-oxopropan-2-aminium bromide","Acta Crystallographica Section E","2006","62","7","o2971","o2972","10.1107/S1600536806023026","","","0.71073","MoKα","","0.1334","0.0582","","","0.0863","0.1084","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209464","16.655","0.0015","10.6438","0.001","7.2559","0.0007","90","","90","","90","","1286.3","0.2","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","10,11-Dihydro-dibenzo[b,f]azepine-5-carbothioic S-acid","","- C15 H13 N O S -","- C15 H13 N O S -","- C60 H52 N4 O4 S4 -","4","1","CV2067","Wei-Hua Jin; Can Jin; Zhi Hong; Ping Wang","10,11-Dihydrodibenzo[<i>b</i>,<i>f</i>]azepine-5-carbothioic <i>S</i>-acid","Acta Crystallographica Section E","2006","62","7","o2844","o2845","10.1107/S1600536806022094","","","0.71073","MoKα","","0.0527","0.0504","","","0.1211","0.1225","","","","","","1.182","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209465","3.8066","0.0015","14.275","0.006","14.53","0.006","90","","94.15","0.005","90","","787.5","0.6","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2,4-Dichlorobenzaldehyde oxime","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C28 H20 Cl8 N4 O4 -","4","1","CV2068","Cai-Xia Wu; Xiu-Qin Lu","(<i>E</i>)-2,4-Dichlorobenzaldehyde oxime","Acta Crystallographica Section E","2006","62","7","o2826","o2827","10.1107/S1600536806021581","","","0.71073","MoKα","","0.059","0.043","","","0.0961","0.1028","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209466","9.946","0.005","9.969","0.005","10.216","0.005","87.813","0.005","68.85","0.005","61.301","0.005","817.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Carbonylchlorobis[diphenyl(4-tolyl)phosphine]rhodium(I)","","- C39 H34 Cl O P2 Rh -","- C39 H34 Cl O P2 Rh -","- C39 H34 Cl O P2 Rh -","1","0.5","CV2069","Kirsten, Leo; Steyl, Gideon; Roodt, Andreas","<i>trans</i>-Carbonylchlorobis[diphenyl(4-tolyl)phosphine]rhodium(I)","Acta Crystallographica Section E","2006","62","7","m1702","m1704","10.1107/S1600536806023798","","","0.71073","MoKα","","0.0274","0.0244","","","0.0602","0.062","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209467","5.787","0.004","7.559","0.005","19.516","0.013","87.527","0.012","86","0.012","89.946","0.012","850.8","1","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","5-(4-methoxyphenyl)-3-(4-phenoxyphenyl)isoxazole","","- C22 H16 F N O3 -","- C22 H16 F N O3 -","- C44 H32 F2 N2 O6 -","2","1","CV2073","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.","3-(4-Fluoro-3-phenoxyphenyl)-5-(4-methoxyphenyl)isoxazole","Acta Crystallographica Section E","2006","62","7","o2979","o2980","10.1107/S1600536806023324","","","0.71073","MoKα","","0.1431","0.0671","","","0.121","0.1613","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209468","7.428","0.0015","14.202","0.003","8.805","0.0018","90","","106.76","0.03","90","","889.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol","","- C9 H7 Cl N2 O2 -","- C9 H7 Cl N2 O2 -","- C36 H28 Cl4 N8 O8 -","4","1","DN2034","Yan, Xiao-Chen; Wang, Hai-Bo; Liu, Zhi-Qian","[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol","Acta Crystallographica Section E","2006","62","7","o3007","o3008","10.1107/S1600536806018952","","","0.71073","MoKα","","0.0622","0.0488","","","0.1237","0.1321","","","","","","1.088","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209469","11.587","0.002","13.756","0.003","8.433","0.002","90","","95.97","0.03","90","","1336.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-Bromophenyl)-2-phenylpropanamide","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C60 H56 Br4 N4 O4 -","4","1","DN2035","Jian-Ying Huang; Wei Xu","<i>N</i>-(2-Bromophenyl)-2-phenylpropanamide","Acta Crystallographica Section E","2006","62","7","o2651","o2652","10.1107/S1600536806019714","","","0.71073","MoKα","","0.0678","0.0368","","","0.0884","0.0969","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209470","10.327","0.0002","8.2051","0.0001","14.363","0.0002","90","","90.424","0.001","90","","1217","0.03","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4R,1'S)-Diethyl 6-methyl-2-[(1'-phenylethylimino)methyl]- 4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C25 H28 N2 O4 S -","- C25 H28 N2 O4 S -","- C50 H56 N4 O8 S2 -","2","1","DN2036","Vrábel, Viktor; Skubák, Pavol; Marchalín, Štefan; Langer, Vratislav; Baumlová, Barbora","(4<i>R</i>,1'<i>S</i>)-Diethyl 6-methyl-2-[(1'-phenylethylimino)methyl]-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","7","o2639","o2640","10.1107/S1600536806019970","","","0.71073","MoKα","","0.0445","0.0416","","","0.1106","0.1137","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209471","3.7824","0.0004","15.056","0.0017","10.8776","0.0012","90","","96.301","0.002","90","","615.71","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[di-μ~3~-chloro-[μ~2~-1,2-bis(4-pyridyl)ethene- 1:2κ^2^N,N']dicopper(I)]]","","- C12 H10 Cl2 Cu2 N2 -","- C12 H10 Cl2 Cu2 N2 -","- C24 H20 Cl4 Cu4 N4 -","2","0.5","DN2038","Li-Qing Yang; Xin-Hua Li","Poly[di-μ~3~-chloro-μ~2~-1,2-di-4-pyridylethene-1:2κ^2^<i>N</i>,<i>N</i>'-dicopper(I)]","Acta Crystallographica Section E","2006","62","7","m1510","m1511","10.1107/S1600536806021180","","","0.71073","MoKα","","0.0427","0.0404","","","0.0844","0.0857","","","","","","1.167","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209472","3.7853","0.0019","12.732","0.006","11.505","0.006","90","","94.748","0.008","90","","552.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ~3~-chloro-μ~2~-4,4'-bipyridine-dicopper(I)]","","- C10 H8 Cl2 Cu2 N2 -","- C10 H8 Cl2 Cu2 N2 -","- C20 H16 Cl4 Cu4 N4 -","2","0.5","DN2039","Chong-Bo Liu; Sheng-Shui Tan; Zi-Sheng Wu; Hui-Liang Wen","Poly[di-μ~3~-chloro-μ~2~-4,4'-bipyridine-dicopper(I)]","Acta Crystallographica Section E","2006","62","7","m1496","m1497","10.1107/S1600536806020010","","","0.71073","MoKα","","0.0418","0.0369","","","0.0872","0.0894","","","","","","1.17","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209473","6.7702","0.0002","10.0609","0.0003","13.4272","0.0004","90","","102.257","0.002","90","","893.74","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dicarbonyl(η~5~-cyclopentadienyl)iodoruthenium(II)","Dicarbonyl(η~5~-cyclopentadienyl)iodoruthenium(II)","","- C7 H5 I O2 Ru -","- C7 H5 I O2 Ru -","- C28 H20 I4 O8 Ru4 -","4","1","DN2040","Bala, Muhammad D.; Munyaneza, Apollinaire; Coville, Neil J.","Dicarbonyl(η^5^-cyclopentadienyl)iodoruthenium(II)","Acta Crystallographica Section E","2006","62","7","m1538","m1539","10.1107/S1600536806020186","","","0.71073","MoKα","","0.0358","0.0314","","","0.0925","0.1008","","","","","","1.23","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209474","8.3942","0.0007","22.426","0.002","15.855","0.002","90","","90","","90","","2984.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Acetyl-2-methoxyphenoxy)benzene-1,2-dinitrile","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C136 H96 N16 O24 -","8","1","DN2041","Kartal, Aslı; Albayrak, Çig̃dem; Ağar, Ayşen; Ocak Ískeleli, Nazan; Erdönmez, Ahmet","4-(4-Acetyl-2-methoxyphenoxy)benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2006","62","7","o2720","o2721","10.1107/S1600536806020204","","","0.71073","MoKα","","0.2181","0.0741","","","0.1058","0.1431","","","","","","0.985","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209475","7.4389","0.0019","10.599","0.004","27.299","0.008","90","","90","","90","","2152.4","1.2","298.1","","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11,11a,13a-Trimethyl-2,3,3a,3b,4,5,5a,6,11,11a,11b,12,13,13a- tetradecahydro-1<i>H</i>-7-azaindeno[5,4-<i>a</i>]anthracen-1-ol methanol solvate","","- C24 H37 N O2 -","- C24 H37 N O2 -","- C96 H148 N4 O8 -","4","1","DN2042","Ji-Zhong Yan; Jian Li; Guo-Wu Rao","11,11a,13a-Trimethyl-2,3,3a,3b,4,5,5a,6,11,11a,11b,12,13,13a-tetradecahydro-1<i>H</i>-7-azaindeno[5,4-<i>a</i>]anthracen-1-ol methanol solvate","Acta Crystallographica Section E","2006","62","7","o2773","o2774","10.1107/S1600536806021301","","","0.71075","MoKα","","0.0615","0.0467","","","0.1142","0.1186","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209476","11.565","0.002","13.76","0.003","8.3165","0.0016","90","","94.955","0.004","90","","1318.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,4-Dimethoxyphenylethylammonium chloride dihydrate","","- C10 H20 Cl N O4 -","- C10 H20 Cl N O4 -","- C40 H80 Cl4 N4 O16 -","4","1","DN2043","Shi, Hao","Redetermination of 3,4-dimethoxyphenylethylammonium chloride dihydrate","Acta Crystallographica Section E","2006","62","7","o2807","o2808","10.1107/S1600536806021209","","","0.71073","MoKα","","0.0668","0.0549","","","0.1515","0.1605","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209477","12.375","0.002","7.928","0.001","14.977","0.002","90","","101.588","0.003","90","","1439.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-dichlorobenzaldehyde 2,4-dinitrophenylhydrazone","","- C13 H8 Cl2 N4 O4 -","- C13 H8 Cl2 N4 O4 -","- C52 H32 Cl8 N16 O16 -","4","1","DN2045","Ge, Wen-Zhong; Li, Feng","2,6-Dichlorobenzaldehyde 2,4-dinitrophenylhydrazone","Acta Crystallographica Section E","2006","62","7","o2888","o2889","10.1107/S1600536806022331","","","0.71073","MoKα","","0.0452","0.0332","","","0.0868","0.0921","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209478","19.855","0.0013","4.7939","0.0003","13.6612","0.0013","90","","90","","90","","1300.31","0.17","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","7,7a-dihydroisoindolo[2,1-a]pyrimidin-12-one","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","DN2047","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","7,7a-Dihydroisoindolo[2,1-<i>a</i>]pyrimidin-12-one","Acta Crystallographica Section E","2006","62","7","o2929","o2931","10.1107/S1600536806022525","","","0.71073","MoKα","","0.0376","0.0323","","","0.0764","0.0789","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209479","12.571","0.0014","7.0258","0.0006","15.7581","0.0015","90","","128.525","0.006","90","","1088.8","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-anilinophthalide","3-anilinoisobenzofuran-1(3H)-one","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","DN2048","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-Anilinoisobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2943","o2944","10.1107/S1600536806022537","","","0.71073","MoKα","","0.0614","0.0354","","","0.0762","0.084","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209480","12.7916","0.0011","8.0661","0.0011","12.365","0.0011","90","","90.266","0.007","90","","1275.8","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-methylpiperidin-1-yl)isobenzofuran-1(3H)-one","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","DN2050","Büyükgüngör, Orhan; Odabaşoğlu, Mustafa","3-(4-Methylpiperidin-1-yl)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2936","o2937","10.1107/S160053680602277X","","","0.71073","MoKα","","0.0921","0.0589","","","0.1258","0.1415","","","","","","1.103","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209481","7.1006","0.0002","26.4054","0.0007","9.5367","0.0002","90","","99.118","0.001","90","","1765.48","0.08","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(OC-6-22)-Bis{2-[1-(2-oxidoethylimino)ethyl]phenolato-κ^3^O,N,O'}titanium(IV)","","- C20 H22 N2 O4 Ti -","- C20 H22 N2 O4 Ti -","- C80 H88 N8 O16 Ti4 -","4","1","DN2052","Böhme, Uwe; Günther, Betty","(<i>OC</i>-6-22)-Bis{2-[1-(2-oxidoethylimino)ethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}titanium(IV)","Acta Crystallographica Section E","2006","62","7","m1711","m1712","10.1107/S1600536806024226","","","0.71073","MoKα","","0.0274","0.0259","","","0.079","0.0875","","","","","","1.134","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209482","11.623","0.006","9.354","0.005","9.114","0.005","90","","90","","90","","990.9","0.9","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","catena-Poly[imidazolium [[diaquadichloromanganese(II)]-μ-chloro]]","","- C3 H9 Cl3 Mn N2 O2 -","- C3 H9 Cl3 Mn N2 O2 -","- C12 H36 Cl12 Mn4 N8 O8 -","4","1","ER2003","Zhang, Hui; Wu, Yan-Mei; Fang, Liang","<i>catena</i>-Poly[imidazolium [[diaquadichloromanganese(II)]-μ-chloro]]","Acta Crystallographica Section E","2006","62","7","m1459","m1461","10.1107/S1600536806019519","","","0.71073","MoKα","","0.0209","0.0192","","","0.0455","0.0459","","","","","","1.006","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2209483","18.064","0.004","7.901","0.002","22.401","0.007","90","","91.76","0.02","90","","3195.6","1.5","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,4-Di-p-tolyl-6,7-dihydroimidazo[2,1-b][1,3]thiazole","","- C19 H18 N2 S -","- C19 H18 N2 S -","- C152 H144 N16 S8 -","8","1","ER2004","Özbey, Süheyla; Meriç, Asiye","3,4-Di-<i>p</i>-tolyl-6,7-dihydroimidazo[2,1-<i>b</i>][1,3]thiazole","Acta Crystallographica Section E","2006","62","7","o2717","o2719","10.1107/S160053680602099X","","","1.54184","CuKα","","","0.0634","","","","0.1848","","","","","","1.057","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209484","10.1864","0.0003","10.4434","0.0003","11.1137","0.0005","108.102","0.002","114.206","0.002","102.811","0.002","938.17","0.07","100","2","","","","","","","","","","5","P -1","-P 1","2","","trans-Dichlorobis(tri-m-tolylphosphine)palladium(II)","","- C42 H42 Cl2 P2 Pd -","- C42 H42 Cl2 P2 Pd -","- C42 H42 Cl2 P2 Pd -","1","0.5","ER2006","Meijboom, Reinout; Muller, Alfred; Roodt, Andreas","<i>trans</i>-Dichlorobis(tri-<i>m</i>-tolylphosphine)palladium(II)","Acta Crystallographica Section E","2006","62","7","m1603","m1605","10.1107/S1600536806022264","","","0.71073","MoKα","","","0.0268","","","","0.0693","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209485","11.605","0.002","12.15","0.002","14.846","0.003","75.68","0.03","68.86","0.03","81.52","0.03","1887.8","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-(4-nitrophenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole","","- C22.5 H20 N3 O2.5 -","- C22.5 H20 N3 O2.5 -","- C90 H80 N12 O10 -","4","2","ER2008","Ge, Wen-Zhong","1-(4-Nitrophenyl)-3,5-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole acetone hemisolvate","Acta Crystallographica Section E","2006","62","7","o3109","o3110","10.1107/S1600536806024147","","","0.71073","MoKα","","0.097","0.0532","","","0.1531","0.1798","","","","","","0.92","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209486","11.316","0.001","8.33","0.001","13.88","0.002","90","","97.728","0.009","90","","1296.5","0.3","295","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","10,10'-Dinitro-10,10'-(butane-1,4-diyl)di-10H-anthracen-9-one","10,10'-Dinitro-10,10'-(butane-1,4-diyl)dianthracen-9(10H)-one","","- C32 H24 N2 O6 -","- C32 H24 N2 O6 -","- C64 H48 N4 O12 -","2","0.5","ER2009","Arslan, Mustafa; Asker, Erol; Masnovi, John; Baker, Ronald J.","10,10'-Dinitro-10,10'-(butane-1,4-diyl)dianthracen-9(10<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2819","o2821","10.1107/S160053680602157X","","","0.71073","MoKα","","0.072","0.042","","","0.096","0.11","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209487","8.22","0.0014","13.441","0.002","13.883","0.002","69.674","0.003","83.711","0.003","81.077","0.004","1418.4","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","(13bR,13cS)-rel-11b,11c-Diphenyl-6,11-dihydro- 1H,3H,4H,13H-2-oxa-3a,4a,5a,11a,12a,13a-hexaazabenz[f]indeno[2,1,8- ija]naphth[2,3-f]azulene-4,6,11,13-tetrone chloroform solvate","","- C29 H23 Cl3 N6 O5 -","- C29 H23 Cl3 N6 O5 -","- C58 H46 Cl6 N12 O10 -","2","1","ER2010","Hu, Sheng-li; Guo, Hui-Zhen; She, Neng-Fang","(13b<i>R</i>,13c<i>S</i>)-<i>rel</i>-11b,11c-Diphenyl-6,11-dihydro-1<i>H</i>,3<i>H</i>,4<i>H</i>,13<i>H</i>-2-oxa-3a,4a,5a,11a,12a,13a-hexaazabenz[<i>f</i>]indeno[2,1,8-<i>ija</i>]naphth[2,3-<i>f</i>]azulene-4,6,11,13-tetrone chloroform solvate","Acta Crystallographica Section E","2006","62","7","o2945","o2946","10.1107/S1600536806022732","","","0.71073","MoKα","","0.2107","0.0714","","","0.1497","0.2027","","","","","","0.799","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209488","9.5251","0.0005","15.4476","0.0008","19.3226","0.0011","90","","90","","90","","2843.1","0.3","187","2","187","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","methyclothiazide","6-chloro-3-chloromethyl-3,4-dihydro-2-methyl-7-sulfamoyl-1,2,4-benzo- thiadiazine 1,1-dioxide","","- C9 H11 Cl2 N3 O4 S2 -","- C9 H11 Cl2 N3 O4 S2 -","- C72 H88 Cl16 N24 O32 S16 -","8","1","EZ2002","Zhou, Hua; Hu, Ning-Hai; Li, Zhi-Gang; Dou, Yan-Li; Xu, Jing-Wei","Methyclothiazide: a hydrogen-bonded layer structure","Acta Crystallographica Section E","2006","62","7","o3009","o3010","10.1107/S1600536806016977","","","0.71073","MoKα","","0.037","0.035","","","0.091","0.092","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209489","16.126","0.004","12.852","0.004","23.725","0.006","90","","90","","90","","4917","2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1'-Methyl-4'-(1-naphthyl)-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''- thiazolo[3,2-a][1,3]benzimidazole-2(3H),3''(2''H)-dione","","- C30 H22 N4 O2 S -","- C30 H22 N4 O2 S -","- C240 H176 N32 O16 S8 -","8","1","EZ2005","Xiu-Ling Zhang; Ai-Zhen Liu; Mei-Fang Jin","1'-Methyl-4'-(1-naphthyl)-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-thiazolo[3,2-<i>a</i>]benzimidazole-2(3<i>H</i>),3''(2''<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","7","o2961","o2962","10.1107/S1600536806022847","","","0.71073","MoKα","","0.086","0.043","","","","0.114","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209490","7.6518","0.0008","9.8985","0.001","10.6525","0.0011","69.492","0.002","70.416","0.002","80.602","0.002","711.02","0.13","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Ethylenediammonium dichloride bis(1,10-phenanthroline) tetrahydrate","","- C26 H34 Cl2 N6 O4 -","- C26 H34 Cl2 N6 O4 -","- C26 H34 Cl2 N6 O4 -","1","0.5","EZ2006","Chen, Zi-Lu; Zhang, Yu-Zhen; Liang, Fu-Pei","Ethylenediammonium dichloride bis(1,10-phenanthroline) tetrahydrate","Acta Crystallographica Section E","2006","62","7","o2797","o2799","10.1107/S160053680602126X","","","0.71073","MoKα","","0.044","0.036","","","0.096","0.103","","","","","","1.07","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2209491","14.646","0.003","14.186","0.003","13.377","0.003","90","","111.2","0.03","90","","2591.2","1.1","133","2","133","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","(η^5^-Cyclopentadienyl)(μ-disulfur dinitrido)(triphenylphosphino)cobalt(II)gold(I) perchlorate","","- C23 H20 Au Cl Co N2 O4 P S2 -","- C23 H20 Au Cl Co N2 O4 P S2 -","- C92 H80 Au4 Cl4 Co4 N8 O16 P4 S8 -","4","1","EZ2007","Alexandra M. Z. Slawin; J. Derek Woollins","(1η^5^-Cyclopentadienyl)(μ-disulfur dinitrido)(triphenylphosphino-2κ<i>P</i>)cobalt(II)gold(I) perchlorate","Acta Crystallographica Section E","2006","62","7","m1658","m1659","10.1107/S1600536806024056","","","0.71073","MoKα","","0.042","0.03","","","0.051","0.054","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209492","11.4464","0.0011","7.5202","0.0007","28.277","0.003","90","","90","","90","","2434.1","0.4","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3-(1,3-benzodioxol-5-yl)-1-phenyl-2-propen-1-one","","- C16 H12 O3 -","- C16 H12 O3 -","- C128 H96 O24 -","8","1","EZ2010","Xu-Hong Yang; Ming-Hu Wu; Wei-Dong Zou; Chuan Li","(<i>E</i>)-3-(1,3-Benzodioxol-5-yl)-1-phenyl-2-propen-1-one","Acta Crystallographica Section E","2006","62","7","o3117","o3118","10.1107/S1600536806024597","","","0.71073","MoKα","","0.0669","0.0473","","","0.1025","0.1099","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209493","10.3023","0.0002","8.1925","0.0001","14.3279","0.0002","90","","90.42","0.001","90","","1209.27","0.03","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4S,1'R)-Diethyl 6-methyl-2-[(1'-phenylethylimino)methyl]-4-(2-thienyl)- 1,4-dihydropyridine-3,5-dicarboxylate","","- C25 H28 N2 O4 S -","- C25 H28 N2 O4 S -","- C50 H56 N4 O8 S2 -","2","1","FB2002","Vrábel, Viktor; Skubák, Pavol; Marchalín, Štefan; Langer, Vratislav; Baumlová, Barbora","(4<i>S</i>,1'<i>R</i>)-Diethyl 6-methyl-2-[(1'-phenylethylimino)methyl]-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","7","o2759","o2761","10.1107/S1600536806018964","","","0.71073","MoKα","","0.0439","0.0377","","","0.0914","0.0958","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209494","7.161","0.006","4.929","0.004","8.47","0.007","90","","90","","90","","299","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Samarium(III) carbonate hydroxide","","- C H O4 Sm -","- C H O4 Sm -","- C4 H4 O16 Sm4 -","4","0.5","FI2003","Yan Xu; Shao-Hua Ding; Wun-Jun Feng; Guang-Peng Zhou; Yu-Guo Liu","Samarium(III) carbonate hydroxide","Acta Crystallographica Section E","2006","62","7","i147","i149","10.1107/S1600536806022665","","","0.71073","MoKα","","0.0494","0.0465","","","0.119","0.1223","","","","","","1.168","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209495","6.422","0.0013","7.472","0.0015","17.181","0.003","79.48","0.03","82.16","0.03","85.45","0.03","801.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Methylbenzamidoxime","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C32 H40 N8 O4 -","4","2","FL2025","Wang, Hai-Bo; Yan, Xiao-Chen; Liu, Zhi-Qian","4-Methylbenzamide oxime","Acta Crystallographica Section E","2006","62","7","o3105","o3106","10.1107/S1600536806024299","","","0.71073","MoKα","","0.0862","0.0594","","","0.1663","0.1862","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209496","9.6539","0.0004","6.3289","0.0003","13.4942","0.0007","90","","103.577","0.002","90","","801.44","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,4S)-4-Azido-1-benzyl-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine","","- C16 H22 N4 O2 -","- C16 H22 N4 O2 -","- C32 H44 N8 O4 -","2","1","FL2030","Amy K. S. Chesterton; Sarah F. Jenkinson; Nigel A. Jones; George W. J. Fleet; David J. Watkin","(2<i>S</i>,4<i>S</i>)-4-Azido-1-benzyl-2-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine","Acta Crystallographica Section E","2006","62","7","o2983","o2985","10.1107/S1600536806023105","","","0.71073","MoKα","","0.0769","0.0441","","0.1004","0.0862","0.1004","","","","","","0.8553","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209497","11.4733","0.0016","12.1572","0.0013","10.0129","0.0013","90","","118.75","0.009","90","","1224.5","0.3","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ethylenediammonium pyridine-2,5-dicarboxylate dihydrate","1,2-ethanediaminium pyridine-2,5-dicarboxylate dihydrate","","- C9 H17 N3 O6 -","- C9 H17 N3 O6 -","- C36 H68 N12 O24 -","4","0.5","FL2031","Graham Smith; Urs D. Wermuth; David J. Young; Peter C. Healy","Ethylenediaminium pyridine-2,5-dicarboxylate dihydrate","Acta Crystallographica Section E","2006","62","7","o3124","o3126","10.1107/S1600536806024263","","","0.71073","MoKα","","0.0899","0.0585","","","0.1596","0.183","","","","","","0.885","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209498","8.4985","0.0001","9.3394","0.0002","11.4856","0.0002","83.199","0.001","74.701","0.001","82.419","0.001","868.29","0.03","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","1-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H16 Cl2 O4 -","- C18 H16 Cl2 O4 -","- C36 H32 Cl4 O8 -","2","1","FL2032","Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","1-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","7","o2991","o2992","10.1107/S1600536806023191","","","0.71073","MoKα","","0.0854","0.0538","","","0.1492","0.1784","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209499","11.312","0.001","8.059","0.001","14.074","0.001","90","","101.49","0.01","90","","1257.3","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","11<i>S</i>,13<i>R</i>,16<i>R</i>,18<i>S</i>,22<i>S</i>-1-Azonia-9-ethyl-3- hydroxy-5-(6-methoxy-quinolin-4-yl)-3-methyl- 4-oxatricyclo[6.2.2.0]dodecane trifluoromethanesulfonate","","- C24 H31 F3 N2 O6 S -","- C24 H31 F3 N2 O6 S -","- C48 H62 F6 N4 O12 S2 -","2","1","GH2002","Gema Antequera-García; Bernadette Norberg; Istvan E. Marko; Johan Wouters","(3<i>R</i>,5<i>S</i>,6<i>R</i>,8<i>S</i>,9<i>S</i>)-1-Azonia-9-ethyl-3-hydroxy-5-(6-methoxyquinolin-4-yl)-3-methyl-4-oxatricyclo[6.2.2.0]dodecane trifluoromethanesulfonate: insight into the sterochemistry of the cyclization mechanism","Acta Crystallographica Section E","2006","62","7","o2864","o2865","10.1107/S1600536806021131","","","1.54178","CuKα","","0.0473","0.0432","","","0.1202","0.1242","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2209500","7.0336","0.0008","11.5822","0.0013","18.935","0.002","90","","91.252","0.002","90","","1542.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(1H-Benzimidazol-2-ylmethyl)iminodimethylene]diphosphonic acid dihydrate","","- C10 H19 N3 O8 P2 -","- C10 H19 N3 O8 P2 -","- C40 H76 N12 O32 P8 -","4","1","GH2009","Tong, Jian-Wei; Ma, Li-Fang; Cao, Deng-Ke; Li, Yi-Zhi; Zheng, Li-Min","[(1<i>H</i>-Benzimidazol-2-ylmethyl)iminodimethylene]diphosphonic acid dihydrate","Acta Crystallographica Section E","2006","62","7","o2694","o2696","10.1107/S1600536806019763","","","0.71073","MoKα","","0.0846","0.0611","","","0.1524","0.1614","","","","","","0.949","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209501","6.5965","0.0011","7.0573","0.0012","21.238","0.004","81.061","0.003","89.307","0.004","75.444","0.003","945","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-6-phenyl-3-thioxo-2,3-dihydro-1,2,4-triazin-5(4H)-one","","- C9 H8 N4 O S -","- C9 H8 N4 O S -","- C36 H32 N16 O4 S4 -","4","2","GH2010","Ray J. Butcher; Yathirajan, H. S.; Anilkumar, H.G.; Ashalatha, B.V.; Narayana, B.","4-Amino-6-phenyl-3-thioxo-2,3-dihydro-1,2,4-triazin-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2702","o2704","10.1107/S1600536806020770","","","0.71073","MoKα","","0.074","0.0488","","","0.1287","0.1427","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209502","6.853","0.003","8.789","0.004","21.537","0.009","90","","90","","90","","1297.2","1","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3aR,8bR)-(+)-1-Methyl-1,2,3,3a,4,8b- hexahydropyrrolo[2',3':3,4]cyclopenta[1,2-b]pyridine-1,5-diium dichloride monohydrate","","- C11 H18 Cl2 N2 O -","- C11 H18 Cl2 N2 O -","- C44 H72 Cl8 N8 O4 -","4","1","GK2008","Ullrich, Thomas; Pyerin, Michael; Mereiter, Kurt","(3a<i>R</i>,8b<i>R</i>)-(+)-1-Methyl-1,2,3,3a,4,8b-hexahydropyrrolo[2',3':3,4]cyclopenta[1,2-<i>b</i>]pyridine-1,5-diium dichloride monohydrate","Acta Crystallographica Section E","2006","62","7","o2958","o2960","10.1107/S1600536806022367","","","0.71073","MoKα","","0.0728","0.0511","","","0.086","0.0921","","","","","","1.116","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209503","6.3708","0.0014","12.542","0.003","13.334","0.003","90","","102.765","0.005","90","","1039.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,1'-(1,4-Butanediyl)bis(tetrahydrofuranium) triflate","1,1'-(1,4-Butanediyl)bis(tetrahydrofuranium) trifluoromethanesulfonate ?","","- C14 H24 F6 O8 S2 -","- C14 H24 F6 O8 S2 -","- C28 H48 F12 O16 S4 -","2","0.5","GK2014","Akkerman, Kerstin; Beckmann, Jens; Duthie, Andrew","1,1'-(1,4-Butanediyl)bis(tetrahydrofuranium) trifluoromethanesulfonate","Acta Crystallographica Section E","2006","62","7","o2781","o2782","10.1107/S1600536806021453","","","0.71073","MoKα","","0.0619","0.0456","","","0.1245","0.133","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209504","9.7639","0.0018","22.836","0.004","9.8496","0.0018","90","","99.908","0.004","90","","2163.4","0.7","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[aqua-μ~3~-<i>p</i>-aminobenzoato-κ^3^N:O:O'-μ~2~-<i>p</i>- aminobenzoato-κ^2^O:O'-<i>p</i>-aminobenzoato-κ^2^O,O'-gadolinium(III)]","","- C21 H20 Gd N3 O7 -","- C21 H20 Gd N3 O7 -","- C84 H80 Gd4 N12 O28 -","4","1","GK2016","Chen, Zi-Lu; Zhang, Yu-Zhen; Liang, Fu-Pei","Poly[aqua-μ~3~-<i>p</i>-aminobenzoato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>'-μ~2~-<i>p</i>-aminobenzoato-κ^2^<i>O</i>:<i>O</i>'-<i>p</i>-aminobenzoato-κ^2^<i>O</i>,<i>O</i>'-gadolinium(III)]","Acta Crystallographica Section E","2006","62","7","m1550","m1552","10.1107/S1600536806021489","","","0.71073","MoKα","","0.0299","0.0226","","","0.0498","0.0536","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209505","6.5657","0.0017","6.976","0.002","11.602","0.003","90","","94.981","0.004","90","","529.4","0.2","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-(4-chlorobenzoylmethylene)-imidazolidine","1-(4-Chlorophenyl)-2-(imidazolidin-2-ylidene)ethanone","","- C11 H11 Cl N2 O -","- C11 H11 Cl N2 O -","- C22 H22 Cl2 N4 O2 -","2","1","HB2059","Chu-Yi Yu; Sheng-Jiao Yan; Zhi-Tang Huang","1-(4-Chlorophenyl)-2-(imidazolidin-2-ylidene)ethanone","Acta Crystallographica Section E","2006","62","7","o2655","o2656","10.1107/S1600536806019805","","","0.71073","MoKα","","0.0474","0.0358","","","0.0884","0.0954","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209506","9.0693","0.0003","11.1141","0.0004","12.608","0.0005","90","","102.916","0.002","90","","1238.7","0.08","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","Kynathrin 4-hydroxy benzoic acid","2-Amino-4,6-dimethylpyrimidine‒4-hydroxybenzoic acid (1/1)","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","HB2063","Kasthuri Balasubramani; Packianathan Thomas Muthiah; Daniel E. Lynch","2-Amino-4,6-dimethylpyrimidine‒4-hydroxybenzoic acid (1/1)","Acta Crystallographica Section E","2006","62","7","o2907","o2909","10.1107/S1600536806022239","","","0.71073","MoKα","","0.0454","0.0583","","","0.1192","0.1298","","","","","","1.339","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209507","9.644","0.003","11.937","0.003","17.998","0.005","90","","90.691","0.005","90","","2071.8","1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ethyl 8-benzoyl-7-phenyl-1,2,3,5,6,7-hexahydro- 5-oxoimidazo[1,2-a]pyridine-6-carboxylate","Ethyl 8-benzoyl-5-oxo-7-phenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-<i>a</i>]pyridine- 6-carboxylate","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","1","HB2067","Chu-Yi Yu; Sheng-Jiao Yan; Zhi-Tang Huang","Ethyl 8-benzoyl-5-oxo-7-phenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-<i>a</i>]pyridine-6-carboxylate","Acta Crystallographica Section E","2006","62","7","o2731","o2733","10.1107/S1600536806020824","","","0.71073","MoKα","","0.0795","0.0468","","","0.1175","0.139","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209508","9.6237","0.0007","18.883","0.0012","8.4729","0.0004","90","","90","","90","","1539.73","0.17","150","1","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Ethyl 2-acetonyl-3-(1H-isochromen-1-yl)acrylate","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","HB2068","Lough, Alan J.; Villeneuve, Karine; Tam, William","Ethyl 2-acetonyl-3-(1<i>H</i>-isochromen-1-yl)acrylate","Acta Crystallographica Section E","2006","62","7","o2582","o2583","10.1107/S1600536806019751","","","0.71073","MoKα","","0.0505","0.0397","","","0.0932","0.0992","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209509","7.9844","0.0006","8.1959","0.0007","9.1928","0.0008","115.958","0.008","96.233","0.006","99.896","0.007","521.24","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(methylammonium) benzene-1,2,4,5-tetracarboxylate dihydrate","","- C14 H30 N4 O10 -","- C14 H30 N4 O10 -","- C14 H30 N4 O10 -","1","0.5","HB2069","Ejsmont, Krzysztof; Zaleski, Jacek","Tetrakis(methylammonium) benzene-1,2,4,5-tetracarboxylate dihydrate","Acta Crystallographica Section E","2006","62","7","o2672","o2674","10.1107/S1600536806020496","","","0.71073","MoKα","","0.0365","0.0324","","","0.0893","0.0922","","","","","","1.052","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2209510","6.3412","0.0003","16.186","0.002","17.211","0.002","90","","99.096","0.006","90","","1744.3","0.3","190","","190","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Di-tert-butyl 4-oxocyclohexane-1,1-dicarboxylate","","- C16 H26 O5 -","- C16 H26 O5 -","- C64 H104 O20 -","4","1","HB2071","Thalji, Reema K.; McLaughlin, Mark L.; Watkins, Steven F.; Fronczek, Frank R.","Di-<i>tert</i>-butyl 4-oxocyclohexane-1,1-dicarboxylate","Acta Crystallographica Section E","2006","62","7","o2584","o2585","10.1107/S1600536806019908","","","0.71073","MoKα","","0.139","0.056","","","0.121","0.15","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209511","7.3555","0.0013","23.433","0.004","14.573","0.0018","90","","115.459","0.006","90","","2267.9","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-(2,2'-Bipyridyl)dichloromanganese(II)‒thiourea (1/1)","","- C21 H20 Cl2 Mn N6 S -","- C21 H20 Cl2 Mn N6 S -","- C84 H80 Cl8 Mn4 N24 S4 -","4","1","HB2072","Choudhury, Somnath Ray; Dutta, Amitava; Mukhopadhyay, Subrata; Lu, Li-Ping; Zhu, Miao-Li","<i>cis</i>-(2,2'-Bipyridyl)dichloromanganese(II)‒thiourea (1/1)","Acta Crystallographica Section E","2006","62","7","m1489","m1491","10.1107/S1600536806020332","","","0.71073","MoKα","","0.097","0.0858","","","0.1782","0.1828","","","","","","1.306","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209512","11.374","0.0007","12.5567","0.0008","13.1164","0.0012","115.644","0.004","97.432","0.005","92.527","0.004","1664.1","0.2","291","1","291","1","","","","","","","","5","P -1","-P 1","2","","N-Allyl-4,6-bis(diphenylphosphino)phenoxazine-10-carboxamide","","- C40 H32 N2 O2 P2 -","- C40 H32 N2 O2 P2 -","- C80 H64 N4 O4 P4 -","2","1","HB2073","Ricken, Stefan; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","<i>N</i>-Allyl-4,6-bis(diphenylphosphino)phenoxazine-10-carboxamide","Acta Crystallographica Section E","2006","62","7","o2637","o2638","10.1107/S1600536806020320","","","0.71073","MoKα","","0.0987","0.0443","","","0.0882","0.0931","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209513","13.1386","0.0012","13.1386","0.0012","21.63","0.003","90","","90","","120","","3233.6","0.6","173","2","173","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C30 H33 Br2 Fe N6 O4.5 -","- C30 H24 Br2 Fe N6 O4.5 -","- C120 H96 Br8 Fe4 N24 O18 -","4","0.333333","HB2074","Heilmann, Julia; Lerner, Hans-Wolfram; Bolte, Michael","Tris(2,2'-bipyridyl)iron(II) dibromide 4.5-hydrate","Acta Crystallographica Section E","2006","62","7","m1477","m1478","10.1107/S1600536806020903","","","0.71073","MoKα","","0.1214","0.1008","","","0.2605","0.2829","","","","","","1.145","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2209514","9.1608","0.0018","9.4769","0.0019","13.334","0.003","109.24","0.03","90.66","0.03","104.02","0.03","1055.1","0.5","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","μ~2~-1,4-benzenedicarboxylate-κ^2^O,O'[bis[aquachloro-4-(1H-1,3,7,8- tetraazacyclopenta[l]phenanthren-2-yl)phenol-κ^2^N,N']zinc(II)] dihydrate","","- C46 H36 Cl2 N8 O10 Zn2 -","- C46 H36 Cl2 N8 O10 Zn2 -","- C46 H36 Cl2 N8 O10 Zn2 -","1","0.5","HB2075","Guang-Bo Che","A new dinuclear Zn^II^ compound with a 1,4-benzenedicarboxylate bridge","Acta Crystallographica Section E","2006","62","7","m1535","m1537","10.1107/S1600536806021246","","","0.71073","MoKα","","0.0967","0.0515","","","0.097","0.1127","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209515","7.8013","0.0011","26.675","0.004","12.9844","0.0018","90","","92.654","0.003","90","","2699.2","0.7","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,3,4,4,5,5-Hexafluoro-1,2-bis[5-(3-methoxyphenyl)-3-methyl-2- thienyl]cyclopent-1-ene","","- C29 H22 F6 O2 S2 -","- C29 H22 F6 O2 S2 -","- C116 H88 F24 O8 S8 -","4","1","HB2077","Yang, Tian-She; Xu, Chun-Yan; Tu, Yuan-Ming; Pu, Shou-Zhi","3,3,4,4,5,5-Hexafluoro-1,2-bis[5-(3-methoxyphenyl)-3-methyl-2-thienyl]cyclopent-1-ene","Acta Crystallographica Section E","2006","62","7","o2617","o2619","10.1107/S1600536806020812","","","0.71073","MoKα","","0.0858","0.0546","","","0.1408","0.1683","","","","","","1.022","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2209516","10.9035","0.0009","15.9679","0.0013","7.875","0.0006","90","","96.693","0.004","90","","1361.74","0.19","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-aminium chloride","","- C10 H25 Cl N4 -","- C10 H25 Cl N4 -","- C40 H100 Cl4 N16 -","4","1","HB2078","Vaqueiro, Paz","3-[4-(3-Aminopropyl)piperazin-1-yl]propan-1-aminium chloride","Acta Crystallographica Section E","2006","62","7","o2632","o2633","10.1107/S1600536806020988","","","0.71073","MoKα","","0.0659","0.0294","","0.0673","0.0331","0.0331","","","","","","1.1055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209517","10.318","0.004","13.85","0.005","10.385","0.004","90","","93.952","0.012","90","","1480.5","1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Acetophenone 2,4,6-trinitrophenylhydrazone","","- C14 H11 N5 O6 -","- C14 H11 N5 O6 -","- C56 H44 N20 O24 -","4","1","HB2079","Shang Shan; Zheng Fan","Acetophenone 2,4,6-trinitrophenylhydrazone","Acta Crystallographica Section E","2006","62","7","o2800","o2802","10.1107/S1600536806021271","","","0.71069","MoKα","","0.096","0.049","","","0.134","0.155","","","","","","0.962","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209518","6.0852","0.0004","7.375","0.0006","26.598","0.002","90","","90","","90","","1193.67","0.15","291","1","291","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(R)-(tert-Butylvinylphosphinoyl)benzene","","- C12 H17 O P -","- C12 H17 O P -","- C48 H68 O4 P4 -","4","1","HB2080","Szmigielska, Anna; Pietrusiewicz, K. Michal; Ricken, Stefan; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","(+)-(<i>R</i>)-(<i>tert</i>-Butylvinylphosphinoyl)benzene","Acta Crystallographica Section E","2006","62","7","o2953","o2954","10.1107/S1600536806021982","","","0.71073","MoKα","","0.0616","0.0333","","","0.0465","0.0486","","","","","","0.816","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209519","6.585","0.006","9.339","0.009","9.567","0.009","69.501","0.016","89.001","0.016","80.591","0.015","543.2","0.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1,4-Bis(chloroacetyl)piperazine","","- C8 H12 Cl2 N2 O2 -","- C8 H12 Cl2 N2 O2 -","- C16 H24 Cl4 N4 O4 -","2","1","HB2082","Wang, Juan; Zeng, Tao; Li, Mei-Ling; Duan, Er-Hong; Li, Jiang-Sheng","1,4-Bis(chloroacetyl)piperazine","Acta Crystallographica Section E","2006","62","7","o2912","o2913","10.1107/S1600536806022616","","","0.71073","MoKα","","0.056","0.0405","","","0.0961","0.1072","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209520","7.645","0.003","6.751","0.003","24.994","0.011","90","","92.473","0.009","90","","1288.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Nitrosalicylaldehyde (2-hydroxybenzoyl)hydrazone","","- C14 H11 N3 O5 -","- C14 H11 N3 O5 -","- C56 H44 N12 O20 -","4","1","HB2084","Xu, Hong-Mei; Liu, Shi-Xiong","5-Nitrosalicylaldehyde (2-hydroxybenzoyl)hydrazone","Acta Crystallographica Section E","2006","62","7","o3026","o3027","10.1107/S1600536806023233","","","0.71073","MoKα","","0.0584","0.0398","","","0.1212","0.1307","","","","","","1.041","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2209521","3.8076","0.0012","10.987","0.003","20.356","0.006","90","","93.576","0.017","90","","849.9","0.4","153.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-Methacryloxytropone","5-acetoxy-2-hydroxy-2,4,6-cycloheptatrien-1-one","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","HB2086","Kubo, Kanji; Yamamoto, Emi; Mori, Akira","5-(Acetyloxy)tropolone","Acta Crystallographica Section E","2006","62","7","o2988","o2990","10.1107/S1600536806023294","","","1.54187","CuKα","","","0.0386","","","","0.1036","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209522","9.801","0.007","10.017","0.007","13.394","0.01","72.699","0.012","87.461","0.012","67.245","0.012","1154","1.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-4-[3-(4-Chlorobenzyloxy)-4-methoxybenzylideneamino]-1,5-dimethyl- 2-phenyl-1H-pyrazol-3(2H)-one","","- C26 H24 Cl N3 O3 -","- C26 H24 Cl N3 O3 -","- C52 H48 Cl2 N6 O6 -","2","1","HB2088","Duan, Zhong-Yu; Zhang, Wen-Jun; Li, Gang; Han, En-Shan; Du, Feng-Yun","(<i>E</i>)-4-[3-(4-Chlorobenzyloxy)-4-methoxybenzylideneamino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2997","o2998","10.1107/S1600536806023440","","","0.71073","MoKα","","0.0845","0.0442","","","0.1043","0.1264","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209523","8.2388","0.0007","19.9018","0.0017","25.697","0.002","90","","90","","90","","4213.5","0.6","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(Dipropylamino)-4-[(4-methoxyphenyl)methylene]-1-phenyl-1H-imidazol-5(4H)-one","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C184 H216 N24 O16 -","8","1","HB2089","Shao-Fa Sun","2-(Dipropylamino)-4-[(4-methoxyphenyl)methylene]-1-phenyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o3107","o3108","10.1107/S1600536806024457","","","0.71073","MoKα","","0.0925","0.0585","","","0.1496","0.1641","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209524","8.521","0.002","11.698","0.003","13.135","0.004","64.889","0.004","73.484","0.004","80.844","0.005","1135.5","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-(5-Bromo-2-ethoxy-3-methoxybenzylidene)-2-(2,4-dinitrophenyl)hydrazine dimethylformamide solvate","","- C19 H22 Br N5 O7 -","- C19 H22 Br N5 O7 -","- C38 H44 Br2 N10 O14 -","2","1","HB2090","Yang, Yun; Ma, Shu-Lin; Lu, Lan-Li; Yang, Xiao-Qing","(<i>E</i>)-1-(5-Bromo-2-ethoxy-3-methoxybenzylidene)-2-(2,4-dinitrophenyl)hydrazine dimethylformamide solvate","Acta Crystallographica Section E","2006","62","7","o3064","o3066","10.1107/S1600536806023737","","","0.71073","MoKα","","0.0764","0.04","","","0.0866","0.1039","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209525","13.165","0.001","13.4984","0.001","38.507","0.003","90","","90","","90","","6842.9","0.9","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4-Aminobenzoato)tris(2-methyl-2-phenylpropyl)tin(IV)","","- C37 H45 N O2 Sn -","- C37 H45 N O2 Sn -","- C296 H360 N8 O16 Sn8 -","8","2","HB2093","Ding, Yang-Jun; Zhao, Xia; Sun, Yu-Xi; Tian, Lai-Jin","(4-Aminobenzoato)tris(2-methyl-2-phenylpropyl)tin(IV)","Acta Crystallographica Section E","2006","62","7","m1673","m1674","10.1107/S1600536806024044","","","0.71073","MoKα","","0.0555","0.0471","","","0.1014","0.1048","","","","","","1.159","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209526","17.56","0.008","9.133","0.003","21.838","0.01","90","","91.772","0.006","90","","3501","3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bromo(N,N-dimethyldithiocarbamato-κ^2^S,S')diphenyltin(IV)","","- C15 H16 Br N S2 Sn -","- C15 H16 Br N S2 Sn -","- C120 H128 Br8 N8 S16 Sn8 -","8","1","HB2094","Tian, Lai-Jin; Mao, Wu-Tao; Sun, Yu-Xi; Liu, Xi-Cheng","Bromo(<i>N</i>,<i>N</i>-dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')diphenyltin(IV)","Acta Crystallographica Section E","2006","62","7","m1675","m1676","10.1107/S1600536806024032","","","0.71073","MoKα","","0.063","0.0421","","","0.0864","0.0944","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209527","9.934","0.002","13.394","0.003","14.202","0.003","90","","107.75","0.03","90","","1799.7","0.7","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Benzene-1,4-dicarboxylato- bis[chloro(dipyrido[3,2-a:2',3'-c]phenazine)copper(II)]","","- C44 H24 Cl2 Cu2 N8 O4 -","- C44 H24 Cl2 Cu2 N8 O4 -","- C88 H48 Cl4 Cu4 N16 O8 -","2","0.5","HB2096","Guang-Bo Che; Zhan-Lin Xu; Chun-Bo Liu","μ-Benzene-1,4-dicarboxylato-bis[chloro(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)copper(II)]","Acta Crystallographica Section E","2006","62","7","m1695","m1696","10.1107/S1600536806024378","","","0.71073","MoKα","","0.0665","0.0484","","","0.138","0.1473","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209528","12.57","0.002","18.731","0.004","10.6482","0.0019","90","","90","","90","","2507.1","0.8","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","Bis{N-(2-hydroxybenzoyl)-N'-[1-(2-pyridyl)ethylidene]hydrazinato]copper(II)","","- C28 H24 Cu N6 O4 -","- C28 H24 Cu N6 O4 -","- C112 H96 Cu4 N24 O16 -","4","","HG2032","Dang, Dong-Bin; Bai, Yan; Duan, Chun-Ying","Bis{<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene}hydrazinato]copper(II)","Acta Crystallographica Section E","2006","62","7","m1567","m1568","10.1107/S1600536806019337","","","0.71073","MoKα","","0.0452","0.0355","","","0.0742","0.0769","","","","","","1.025","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209529","9.7327","0.0013","7.26","0.0007","12.394","0.002","90","","129.395","0.011","90","","676.77","0.19","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","O-Piperonylic acid","2,3-Methylenedioxybenzoic acid","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","1","HG2033","Hussain, Mukhtiar; Ali, Saqib; Karmazin Brelot, Lydia; Stoeckli-Evans, Helen","2,3-Methylenedioxybenzoic acid","Acta Crystallographica Section E","2006","62","7","o2657","o2659","10.1107/S1600536806019933","","","0.71073","MoKα","","0.0806","0.0628","","","0.1595","0.176","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209530","11.873","0.005","13.106","0.005","16.653","0.007","101.505","0.008","94.504","0.009","92.914","0.008","2525.6","1.8","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1,2-Bis[5-(2,4-difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5- hexafluorocyclopent-1-ene","","- C27 H14 F10 S2 -","- C27 H14 F10 S2 -","- C108 H56 F40 S8 -","4","2","HG2043","Liu, Gang; Xu, Chun-Yan; Pu, Shou-Zhi; Xu, Jing-Kun","1,2-Bis[5-(2,4-difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene: a new photochromic diarylethene compound","Acta Crystallographica Section E","2006","62","7","o3028","o3030","10.1107/S160053680602318X","","","0.71073","MoKα","","0.208","0.0666","","","0.1131","0.156","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209531","8.8944","0.0013","10.6804","0.0016","11.4533","0.0017","86.763","0.003","87.498","0.002","66.828","0.003","998.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(2-thiolidinethionato)(triphenylphosphine)gold(I)","","- C21 H19 Au N P S2 -","- C21 H19 Au N P S2 -","- C42 H38 Au2 N2 P2 S4 -","2","1","HG2049","Ulrike E. I. Horvath; Stephanie Cronje; Stefan D. Nogai; Helgard G. Raubenheimer","A second polymorph of (2-thiazolidinethionato)(triphenylphosphine)gold(I)","Acta Crystallographica Section E","2006","62","7","m1641","m1643","10.1107/S1600536806023166","","","0.71073","MoKα","","0.0389","0.0353","","","0.0859","0.0879","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209532","8.2258","0.0011","11.0179","0.0015","12.1641","0.0017","71.411","0.002","75.984","0.002","68.848","0.002","964.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(2-thiolidinethionato)(triphenylphosphine)gold(I)","","- C21 H19 Au N P S2 -","- C21 H19 Au N P S2 -","- C42 H38 Au2 N2 P2 S4 -","2","1","HG2050","Ulrike E. I. Horvath; Helgard G. Raubenheimer","A third polymorph of (2-thiazolidinethionato)(triphenylphosphine)gold(I)","Acta Crystallographica Section E","2006","62","7","m1644","m1645","10.1107/S1600536806023178","","","0.71073","MoKα","","0.0475","0.0413","","","0.0857","0.088","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209533","10.4856","0.0005","11.1262","0.0006","12.0768","0.0005","90","","91.585","0.004","90","","1408.4","0.12","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-[(4-Chlorophenyl)diazenyl]-2-isopropylphenol","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C60 H60 Cl4 N8 O4 -","4","1","HG2054","Atalay,Şehriman; Petek, Hande; Ocak Ískeleli, Nazan; Albayrak, Çiğdem; Ağar, Erbil","(<i>E</i>)-4-[(4-Chlorophenyl)diazenyl]-2-isopropylphenol","Acta Crystallographica Section E","2006","62","7","o3092","o3093","10.1107/S1600536806024408","","","0.71073","MoKα","","0.0452","0.0412","","","0.1132","0.1162","","","","","","1.098","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209534","5.4662","0.0005","19.448","0.002","16.383","0.001","90","","95.609","0.001","90","","1733.3","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-Di-4-pyridinio-1,3,4-oxadiazole bis(perchlorate) monohydrate","","- C12 H12 Cl2 N4 O10 -","- C12 H12 Cl2 N4 O10 -","- C48 H48 Cl8 N16 O40 -","4","1","HK2026","Wang, Yong-Tao; Tang, Gui-Mei; Qin, Da-Wei; Duan, Hong-Dong; Ng, Seik Weng","2,5-Di-4-pyridinio-1,3,4-oxadiazole bis(perchlorate) monohydrate","Acta Crystallographica Section E","2006","62","7","o3094","o3095","10.1107/S1600536806024020","","","0.71073","MoKα","","0.08","0.059","","","0.153","0.165","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209535","5.881","0.0012","9.878","0.002","11.186","0.002","71.45","0.03","83.18","0.03","88.95","0.03","611.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-(2-Furylmethylene)-4-phenylthiosemicarbazide","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C24 H22 N6 O2 S2 -","2","1","HK2037","FangFang Jian; Ying Li","1-(Furan-2-ylmethylene)-4-phenylthiosemicarbazide","Acta Crystallographica Section E","2006","62","7","o2934","o2935","10.1107/S1600536806022604","","","0.71073","MoKα","","0.0821","0.0563","","","0.1606","0.1798","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209536","11.4872","0.0013","30.416","0.003","8.3472","0.0009","90","","90.317","0.002","90","","2916.4","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Benzoyl-N'-(tert-butylaminocarbonyl)thiourea","","- C13 H17 N3 O2 S -","- C13 H17 N3 O2 S -","- C104 H136 N24 O16 S8 -","8","2","HK2040","Sun, Chuan-Wen; Zhang, Xiao-Dong","<i>N</i>-Benzoyl-<i>N</i>'-(<i>tert</i>-butylaminocarbonyl)thiourea","Acta Crystallographica Section E","2006","62","7","o2700","o2701","10.1107/S1600536806019799","","","0.71073","MoKα","","0.1532","0.0753","","","0.1899","0.214","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209537","10.4071","0.001","13.7063","0.0014","14.3438","0.0014","65.385","0.005","80.327","0.005","78.883","0.005","1816.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis(propane-1,3-diaminium) tris(pyridine-2,6-dicarboxylato-κ^3^O,N,O')cerate(III) nitrate 3.5-hydrate","","- C27 H40 Ce N8 O18.5 -","- C27 H39.5 Ce N8 O18.5 -","- C54 H79 Ce2 N16 O37 -","2","1","HK2042","Aghabozorg, Hossein; Nakhjavan, Bahar; Ghadermazi, Mohammad; Ramezanipour, Farshid","Bis(propane-1,3-diaminium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cerate(III) nitrate 3.5-hydrate","Acta Crystallographica Section E","2006","62","7","m1527","m1529","10.1107/S1600536806021404","","","0.71073","MoKα","","0.0699","0.0527","","","0.1224","0.1296","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209538","11.3169","0.0004","8.4281","0.0002","13.5482","0.0005","90","","95.757","0.002","90","","1285.71","0.07","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2,4-Dimethylphenyl)-1H-isoindole-1,3(2H)-dione","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","HK2044","Shahzadi, Saira; Ali, Saqib; Najam-ul-Haq, Muhammad; Wurst, Klaus","2-(2,4-Dimethylphenyl)-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","7","o2586","o2588","10.1107/S1600536806019659","","","0.71073","MoKα","","0.0415","0.0375","","","0.0966","0.099","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209539","18.106","0.006","8.936","0.003","9.3","0.003","90","","117.6","0.03","90","","1333.5","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,5-Dimethyl-3,4-bis(methylsulfanyl)benzo[1,2-b:4,3-b']difuran","","- C14 H14 O2 S2 -","- C14 H14 O2 S2 -","- C56 H56 O8 S8 -","4","0.5","HK2046","Choi, Hong Dae; Jang, Ji Bong; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2,5-Dimethyl-3,4-bis(methylsulfanyl)benzo[1,2-<i>b</i>:4,3-<i>b</i>']difuran","Acta Crystallographica Section E","2006","62","7","o2722","o2724","10.1107/S1600536806020538","","","0.71069","MoKα","","0.08","0.0562","","","0.1376","0.1582","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209540","5.2073","0.0005","8.2548","0.0006","8.5234","0.0006","105.616","0.006","98.69","0.007","103.564","0.006","333.91","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2,6-Dimethyl-3,7-bis(methylsulfanyl)benzo[1,2-b:4,5-b']difuran","","- C14 H14 O2 S2 -","- C14 H14 O2 S2 -","- C14 H14 O2 S2 -","1","0.5","HK2047","Choi, Hong Dae; Jang, Ji Bong; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2,6-Dimethyl-3,7-bis(methylsulfanyl)benzo[1,2-<i>b</i>:4,5-<i>b</i>']difuran","Acta Crystallographica Section E","2006","62","7","o2828","o2829","10.1107/S1600536806021611","","","0.71069","MoKα","","0.0604","0.0518","","","0.1356","0.1471","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209541","6.6099","0.0002","16.6009","0.0004","9.0264","0.0002","90","","110.751","0.001","90","","926.22","0.04","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","myo-inositol","myo-Inositol dihydrate","","- C6 H16 O8 -","- C6 H16 O8 -","- C24 H64 O32 -","4","1","HK2049","Arnaud Bonnet; William Jones; W. D. Samuel Motherwell","<i>myo</i>-Inositol dihydrate: a redetermination","Acta Crystallographica Section E","2006","62","7","o2902","o2904","10.1107/S1600536806022033","","","0.71073","MoKα","","0.0367","0.032","","","0.0964","0.1011","","","","","","1.139","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209542","10.331","0.003","6.322","0.002","8.52","0.003","90","","90","","90","","556.5","0.3","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Nitropropane-1,3-diol","","- C3 H7 N O4 -","- C3 H7 N O4 -","- C12 H28 N4 O16 -","4","1","HK2051","Sha-Sha Liu; Xiao-Hong Ren; Shuai Zhao; Hong-Mei Niu; Jian Xu","2-Nitropropane-1,3-diol","Acta Crystallographica Section E","2006","62","7","o2822","o2823","10.1107/S1600536806021866","","","0.71073","MoKα","","0.0415","0.0339","","","0.0807","0.0855","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209543","7.233","0.002","5.886","0.003","17.682","0.004","90","","98.26","0.02","90","","745","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-Dihydroenzocyclobutene-4-carboxylic acid","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","HK2052","Feng, Zhi-Qiang; Xu, Bin; Cheng, Wei; Wang, Jin-Tang","1,2-Dihydrobenzocyclobutene-4-carboxylic acid","Acta Crystallographica Section E","2006","62","7","o2646","o2647","10.1107/S1600536806020277","","","0.71073","MoKα","","0.1529","0.0648","","","0.1362","0.1781","","","","","","0.988","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209544","7.55","0.0015","10.539","0.002","21.068","0.004","86.28","0.03","82.4","0.03","77.11","0.03","1618.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3,9-Bis(2-hydroxy-2-propyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide hemihydrate","","- C11 H23 O8.5 P2 -","- C11 H23 O8.5 P2 -","- C44 H92 O34 P8 -","4","2","HK2053","Yu-Hua Zhang; Xiao-Hui Wang; Shan Liu; Cheng Yao","3,9-Bis(2-hydroxy-2-propyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide hemihydrate","Acta Crystallographica Section E","2006","62","7","o2620","o2621","10.1107/S1600536806020605","","","0.71073","MoKα","","0.1443","0.0689","","","0.1467","0.1907","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209545","8.6561","0.0009","17.7944","0.0018","9.309","0.0011","90","","117.22","0.03","90","","1275.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-(2-Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","","- C13 H16 Cl N O3 -","- C13 H16 Cl N O3 -","- C52 H64 Cl4 N4 O12 -","4","1","HK2054","Yong Ling; Hao Xu; Zhi-Hong Zou; Cheng Yao","2-(2-Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section E","2006","62","7","o2775","o2777","10.1107/S1600536806021374","","","0.71073","MoKα","","0.1011","0.0532","","","0.1163","0.1406","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209546","5.2764","0.0011","11.5152","0.0018","26.639","0.003","90","","90","","90","","1618.6","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate","","- C18 H18 O7 -","- C18 H18 O7 -","- C72 H72 O28 -","4","1","HK2055","Yu, Quan-Lin; Duan, Hong-Quan; Gao, Wen-Yuan","3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate from <i>Cucubalus baccifier</i> (L.)","Acta Crystallographica Section E","2006","62","7","o2910","o2911","10.1107/S1600536806022392","","","0.7107","MoKα","","0.0591","0.0532","","","0.1396","0.144","","","","","","1.206","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209547","8.3946","0.0009","11.4865","0.0012","15.0673","0.0017","90","","91.789","0.002","90","","1452.1","0.3","294","2","294","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Dichloro{N-(diphenylphosphino)-N-[(diphenylphosphoryl)methyl]pyridin-2-amine- κ^2^N,N'}platinum(II)","","- C30 H26 Cl2 N2 O P2 Pt -","- C30 H26 Cl2 N2 O P2 Pt -","- C60 H52 Cl4 N4 O2 P4 Pt2 -","2","1","HK2056","Peng Li; Qing-Shan Li; Feng-Bo Xu; Hai-Bin Song; Zheng-Zhi Zhang","Dichloro{<i>N</i>-(diphenylphosphino)-<i>N</i>-[(diphenylphosphoryl)methyl]pyridin-2-amine-κ^2^<i>N</i>,<i>N</i>'}platinum(II)","Acta Crystallographica Section E","2006","62","7","m1575","m1576","10.1107/S1600536806022148","","","0.71073","MoKα","","0.0309","0.0249","","","0.0487","0.051","","","","","","0.913","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209548","9.189","0.0018","11.483","0.002","15.449","0.003","90","","90","","90","","1630.1","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,9-Diphenyl-2,4,8,10-tetraoxaspiro[5.5]undecane","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","HK2057","Dong-Ying Yan; Ji-Kui Wang; Li-Juan Liu; Shan Liu; Jin-Tang Wang","3,9-Diphenyl-2,4,8,10-tetraoxaspiro[5.5]undecane","Acta Crystallographica Section E","2006","62","7","o3062","o3063","10.1107/S160053680602397X","","","0.71073","MoKα","","0.0687","0.042","","","0.0935","0.1076","","","","","","0.986","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209549","14.885","0.004","14.459","0.004","7.693","0.002","90","","102.115","0.004","90","","1618.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","work","catena-Poly[[silver(I)-μ-1,4-bis(2-methyl-1H-imidazol-1- ylmethyl)benzene-κ^2^N^3^:N^3'^] nitrate]","","- C16 H18 Ag N5 O3 -","- C16 H18 Ag N5 O3 -","- C64 H72 Ag4 N20 O12 -","4","1","HK2058","Liliana Dobrzańska; Gareth O. Lloyd","<i>catena</i>-Poly[[silver(I)-μ-1,4-bis(2-methyl-1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^] nitrate]","Acta Crystallographica Section E","2006","62","7","m1638","m1640","10.1107/S1600536806023300","","","0.71073","MoKα","","0.0975","0.0686","","","0.1255","0.1358","","","","","","1.113","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209550","8.272","0.003","10.362","0.003","11.373","0.004","102.026","0.002","109.877","0.003","103.958","0.001","843.5","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Poly[μ-aqua-aqua(μ~4~-2-oxidobenzene-1,3-dicarboxylato)(μ~2~-2- oxidobenzene-1,3-dicarboxylato)cadmium(II)dicopper(II)]","","- C16 H10 Cd Cu2 O12 -","- C16 H10 Cd Cu2 O12 -","- C32 H20 Cd2 Cu4 O24 -","2","1","HK2059","E Yang; Fa-Fu Yang; Shun-Yu Chen","Poly[μ-aqua-aqua(μ~4~-2-oxidobenzene-1,3-dicarboxylato)(μ~2~-2-oxidobenzene-1,3-dicarboxylato)cadmium(II)dicopper(II)]","Acta Crystallographica Section E","2006","62","7","m1586","m1588","10.1107/S1600536806022690","","","0.71073","MoKα","","","0.0268","","","0.0643","0.0679","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209551","11.909","0.004","11.909","0.004","18.083","0.004","90","","90","","90","","2564.6","1.3","298","1","","","","","","","","","","3","P 41","P 4w","76","","","","- C28 H42 O2 -","- C28 H42 O2 -","- C112 H168 O8 -","4","1","HK2061","Jin-Long Wu","(a<i>R</i>,1<i>R</i>,2<i>S</i>,5<i>R</i>)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (4-<i>tert</i>-butylcyclohexylidene)acetate","Acta Crystallographica Section E","2006","62","7","o2967","o2968","10.1107/S1600536806022896","","","0.71075","MoKα","","","0.0327","","","","0.061","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209552","12.85","0.003","6.884","0.0014","21.723","0.004","90","","105.38","0.03","90","","1852.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-phenyl- 1,2,5-oxadiazole N-oxide","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C80 H84 N12 O16 -","4","1","HK2064","Hao Xu; Yong Ling; Zhi-Hong Zou; Wen-Long Huang; Cheng Yao","5-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-phenyl-1,2,5-oxadiazole <i>N</i>-oxide","Acta Crystallographica Section E","2006","62","7","o3130","o3132","10.1107/S1600536806023014","","","0.71073","MoKα","","0.0957","0.0503","","","0.1196","0.1446","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209553","10.34","0.006","14.433","0.005","15.185","0.007","90","","105.92","0.02","90","","2179.2","1.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,6-Bis[1-(2,6-dimethylphenylimino)ethyl]pyridine","","- C25 H27 N3 -","- C25 H27 N3 -","- C100 H108 N12 -","4","1","HK2065","Huang, Yuan-Biao; Ma, Xiu-Ling; Zheng, Si-Ning; Chen, Jian-Xin; Wei, Chun-Xia","2,6-Bis[1-(2,6-dimethylphenylimino)ethyl]pyridine","Acta Crystallographica Section E","2006","62","7","o3044","o3045","10.1107/S1600536806023610","","","0.71073","MoKα","","0.0667","0.0527","","","0.171","0.1802","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209554","10.817","0.002","13.679","0.003","29.37","0.006","90","","90","","90","","4345.8","1.5","315","2","313","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,7-Dichloro-3,7-diphenylbenzo[1,2-c;4,5-c']difuran-1,5(3H,7H)-dione cyclohexane 0.25-solvate","","- C23.5 H15 Cl4 O8 -","- C23.5 H15 Cl2 O4 -","- C188 H120 Cl16 O32 -","8","1","HK2067","Shan Liu; Jing-Ning Liu; Guang-Liang Song; Ya-Ming Wu; Hong-Jun Zhu","3,7-Dichloro-3,7-diphenylbenzo[1,2-<i>c</i>;4,5-<i>c</i>']difuran-1,5(3<i>H</i>,7<i>H</i>)-dione cyclohexane 0.25-solvate","Acta Crystallographica Section E","2006","62","7","o3099","o3100","10.1107/S160053680602410X","","","0.71073","MoKα","","0.1731","0.0864","","","0.1968","0.2293","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209555","7.6644","0.0003","16.3219","0.0006","18.5582","0.0007","90","","98.204","0.001","90","","2297.83","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromo[bis(trans-2-nitrocinnamaldehyde)ethylenediimine-N,N']nickel(II)","","- C20 H18 Br2 N4 Ni O4 -","- C20 H18 Br2 N4 Ni O4 -","- C80 H72 Br8 N16 Ni4 O16 -","4","1","HY2004","Dehghanpour, Saeed; Mahmoudi, Ali; Sepaveh, Fatemeh; Ng, Seik Weng","[<i>N</i>,<i>N</i>'-Bis(<i>trans</i>-2-nitroprop-2-enylidene)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']dibromonickel(II)","Acta Crystallographica Section E","2006","62","7","m1462","m1463","10.1107/S1600536806019775","","","0.71073","MoKα","","0.096","0.039","","","0.087","0.107","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209556","27.561","0.006","14.829","0.003","17.617","0.004","90","","118.38","0.03","90","","6335","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tetralithiumtetraimidosilicate","bis(diethyl ether-κO)tetra(tetrahydrofuran-κO)[μ~4~-tetrakis(1- naphthylimido)silane(4-)]tetralithium(I) diethyl ether solvate","","- C68 H90 Li4 N4 O7 Si -","- C68 H90 Li4 N4 O7 Si -","- C272 H360 Li16 N16 O28 Si4 -","4","0.5","HY2006","Copsey, May C.; Balakrishna, Maravanji S.; Chivers, Tristram","The tetralithium derivative of the tetrakis(1-naphthylimido)silicate tetraanion","Acta Crystallographica Section E","2006","62","7","m1680","m1682","10.1107/S1600536806024019","","","0.71073","MoKα","","0.0663","0.046","","","0.1134","0.1275","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209557","10.442","0.004","7.873","0.004","17.38","0.005","90","","101.595","0.015","90","","1399.6","1","298","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[(3-Ethyl-1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]-1H-benzimidazole","","- C14 H13 N5 O3 -","- C14 H13 N5 O3 -","- C56 H52 N20 O12 -","4","1","IS2040","Cheng-Xia Tan; Na-Bo Sun; De-Long Shen; Jian-Quan Weng","3-[(3-Ethyl-1-methyl-4-nitro-1<i>H</i>-pyrazol-5-yl)carbonyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2006","62","7","o3017","o3018","10.1107/S1600536806023373","","","0.71075","MoKα","","","0.041","","","","0.1356","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209558","8.024","0.003","10.361","0.003","12.729","0.004","67.849","0.004","76.511","0.004","81.571","0.005","951.1","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","N'-(tert-Butylaminocarbonyl)-N-[2-(2,4-dichlorophenoxy)propionyl]thiourea","","- C15 H19 Cl2 N3 O3 S -","- C15 H19 Cl2 N3 O3 S -","- C30 H38 Cl4 N6 O6 S2 -","2","1","IS2042","Liu, Guo-Hua; Xue, Yun-Ning; Yao, Mei; Yu, Han; Fang, Hai-Bin","5-<i>tert</i>-Butyl-1-[2-(2,4-dichlorophenoxy)propionyl]thiobiuret","Acta Crystallographica Section E","2006","62","7","o2848","o2849","10.1107/S1600536806020861","","","0.71073","MoKα","","0.1027","0.0802","","","0.2321","0.2475","","","","","","1.063","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209559","8.2902","0.0011","8.5284","0.0011","11.1261","0.0015","98.155","0.002","98.996","0.002","91.754","0.002","767.98","0.18","187","2","187","2","","","","","","","","4","P -1","-P 1","2","","6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine-5,8-dione","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C36 H32 N8 O8 -","4","2","IS2044","Gu, Xiao-Dan; Zhou, Fu-Hui; Zhou, Hua; Xu, Jing-Wei; Deng, Jian-Cheng","6,7,8,9-Tetrahydro-5<i>H</i>-pyrido[2,3-<i>b</i>]azepine-5,8-dione: a hydrogen-bonded dimer structure","Acta Crystallographica Section E","2006","62","7","o2918","o2919","10.1107/S1600536806021222","","","0.71073","MoKα","","0.0794","0.0531","","","0.1313","0.1487","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209560","7.436","0.003","12.498","0.004","25.382","0.008","90","","95.702","0.006","90","","2347.2","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[3,3'-dimethyl-3,3'-methylenebis(2,3-dihydro-1H- imidazole)]disilver(I)(Ag—Ag) dichloride hemihydrate","","- C18 H25 Ag2 Cl2 N8 O0.5 -","- C18 H25 Ag2 Cl2 N8 O0.5 -","- C72 H100 Ag8 Cl8 N32 O2 -","4","1","IS2045","Da-Qi Wang","Bis[μ-3,3'-dimethyl-3,3'-methylenebis(2,3-dihydro-1<i>H</i>-imidazole)]disilver(I)(<i>Ag{—</i>Ag}) dichloride hemihydrate","Acta Crystallographica Section E","2006","62","7","m1565","m1566","10.1107/S1600536806022136","","","0.71073","MoKα","","0.0654","0.0443","","","0.1113","0.1218","","","","","","1.036","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2209561","16.058","0.0002","10.443","0.0001","15.752","0.0003","90","","104.507","0.002","90","","2557.29","0.07","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-Bis[2-(o-tolyliminomethyl)phenolato-κO]dichloronickel(II)","","- C28 H26 Cl2 N2 Ni O2 -","- C28 H26 Cl2 N2 Ni O2 -","- C112 H104 Cl8 N8 Ni4 O8 -","4","0.5","IS2046","Liu, Xiao-Hong; Zeng, Jun-He","<i>trans</i>-Dichlorobis[2-(<i>o</i>-tolyliminomethyl)phenolato-κ<i>O</i>]nickel(II)","Acta Crystallographica Section E","2006","62","7","m1501","m1503","10.1107/S1600536806021015","","","0.71073","MoKα","","0.0992","0.0532","","","0.1142","0.1375","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209562","15.0891","0.0012","8.4475","0.0012","15.6025","0.0018","90","","94.2","0.013","90","","1983.4","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[η^2^-8-(tert-Butylimino)-1-naphthyl]bis(η^5^-cyclopentadienyl)titanium(IV)","","- C25 H25 N Ti -","- C25 H25 N Ti -","- C100 H100 N4 Ti4 -","4","1","IS2052","Kooijman, Huub; Leijen, Monique M. van; Akkerman, Otto S.; Bickelhaupt, Friedrich; Spek, Anthony L.","[η^2^-8-(<i>tert</i>-Butylimino)-1-naphthyl]bis(η^5^-cyclopentadienyl)titanium(IV)","Acta Crystallographica Section E","2006","62","7","m1545","m1547","10.1107/S1600536806021726","","","0.71073","MoKα","","0.1564","0.0561","","","0.1053","0.1309","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209563","13.995","0.002","14.227","0.002","7.9682","0.0012","90","","90","","90","","1586.5","0.4","203","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H13 Br3 In N3 -","- C12 H13 Br3 In N3 -","- C48 H52 Br12 In4 N12 -","4","0.5","IS2057","Masumi Itazaki; Rie Ujihara; Hiroshi Nakazawa","<i>fac</i>-[Bis(2-pyridylmethyl)amine-κ^3^<i>N</i>]tribromoindium(III)","Acta Crystallographica Section E","2006","62","7","m1649","m1650","10.1107/S1600536806023269","","","0.7107","MoKα","","0.058","0.0529","","","0.1217","0.1246","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209564","22.0464","0.0003","9.9446","0.0001","18.8628","0.0003","90","","104.37","0.0005","90","","4006.14","0.09","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[(E)-3-sec-Butyl-4-(4'-Ethoxy-3,5-diethylbiphenyl-4- yldiazenyl)phenoxy]hexadecane","","- C44 H66 N2 O2 -","- C44 H66 N2 O2 -","- C176 H264 N8 O8 -","4","1","IS2058","Han, Mina R.; Hashizume, Daisuke; Hara, Masahiko","1-[(<i>E</i>)-3-<i>sec</i>-Butyl-4-(4'-ethoxy-3,5-diethylbiphenyl-4-yldiazenyl)phenoxy]hexadecane","Acta Crystallographica Section E","2006","62","7","o3001","o3003","10.1107/S1600536806023270","","","0.71073","MoKα","","0.0653","0.0469","","","0.1154","0.1276","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209565","7.291","0.0015","8.21","0.0016","8.871","0.0018","85.88","0.03","80.43","0.03","81.71","0.03","517.52","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Difluoromethyl-3-methyl-1-phenyl-1H-1,2,4-triazol-5(4H)-one","","- C10 H9 F2 N3 O -","- C10 H9 F2 N3 O -","- C20 H18 F4 N6 O2 -","2","1","JH2013","Jing Heng; Hong-Jun Zhu; Qing-Gang Tang; Hong-Lan Yan","4-Difluoromethyl-3-methyl-1-phenyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o3111","o3112","10.1107/S1600536806019003","","","0.71073","MoKα","","0.0662","0.0427","","","0.1052","0.1208","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209566","8.7388","0.0003","14.02","0.0008","15.9341","0.0007","90","","90","","90","","1952.21","0.16","295","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1'S,2'S,5'<i>R</i>)-3-(2-Bromopropionyl)-2'-isopropyl-5'- methylspiro[2<i>H</i>-1,3-benzoxazine-2,1'-cyclohexan]-4(3<i>H</i>)-one","","- C20 H26 Br N O3 -","- C20 H26 Br N O3 -","- C80 H104 Br4 N4 O12 -","4","1","JH2017","Yuan, Qing; Lei, Ming","(1'<i>S</i>,2'<i>S</i>,5'<i>R</i>)-3-(2-Bromopropionyl)-2'-isopropyl-5'-methylspiro[2<i>H</i>-1,3-benzoxazine-2,1'-cyclohexan]-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o3011","o3012","10.1107/S1600536806017296","","","0.71069","MoKα","","","0.0315","","","","0.0692","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209567","9.765","0.002","11.552","0.002","18.796","0.004","90","","90","","90","","2120.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(-)-6-(4-Aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","2","JH2018","Zhang, Chun-Tao; Wu, Jie-Hua; Zhou, Li-Na; Wang, Yong-Li; Wang, Jing-Kang","(<i>R</i>)-(‒)-6-(4-Aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2999","o3000","10.1107/S1600536806022409","","","0.71073","MoKα","","0.0672","0.0458","","","0.116","0.1277","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209568","9.0702","0.0018","9.1815","0.0018","12.642","0.003","103.54","0.03","98.01","0.03","100.49","0.03","988","0.4","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","μ-benzene-1,4-dicarboxylato-bis[aquachloro(2-phenyl-1H-1,3,7,8- tetraazacyclopenta[<i>l</i>]phenanthrene)zinc(II)]","","- C46 H32 Cl2 N8 O6 Zn2 -","- C46 H32 Cl2 N8 O6 Zn2 -","- C46 H32 Cl2 N8 O6 Zn2 -","1","0.5","JH2021","Yun-Cheng Cui; Jia-Jun Wang; Guang-Bo Che; Chun-Bo Liu; Chuan-Bi Li","μ-Benzene-1,4-dicarboxylato-bis[aquachloro(2-phenyl-1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene)zinc(II)]","Acta Crystallographica Section E","2006","62","7","m1633","m1634","10.1107/S1600536806023439","","","0.71073","MoKα","","0.1539","0.071","","","0.1713","0.2354","","","","","","0.979","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209569","20.794","0.019","9.911","0.009","14.142","0.013","90","","102.658","0.015","90","","2844","5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[μ-pyruvic acid 2-furoic acid hydrazonato(2-)]bis[methanolbismethyltin(IV)]","","- C11 H16 N2 O5 Sn -","- C11 H16 N2 O5 Sn -","- C88 H128 N16 O40 Sn8 -","8","1","KJ2006","Min Hong; Han-Dong Yin; Da-Qi Wang","Bis[μ-furan-2-carbaldehyde (1-carboxyethylidene)hydrazonato(2‒)]bis[methanoldimethyltin(IV)]","Acta Crystallographica Section E","2006","62","7","m1555","m1557","10.1107/S1600536806017612","","","0.71073","MoKα","","0.0611","0.0371","","","0.0797","0.0914","","","","","","0.997","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209570","12.3654","0.0004","9.7216","0.0003","20.4966","0.0007","90","","105.814","0.002","90","","2370.67","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2R*,3R*,4R*)-tert-Butyl 2-(diethoxyphosphoryl)-4-nitro-3-(4-nitrophenyl)pentanoate","","- C19 H29 N2 O9 P -","- C19 H29 N2 O9 P -","- C76 H116 N8 O36 P4 -","4","1","KJ2007","Krawczyk, Henryk; Albrecht Łukasz; Wojciechowski, Jakub; Wolf, Wojciech M.","(2<i>R</i>*,3<i>R</i>*,4<i>R</i>*)-<i>tert</i>-Butyl 2-(diethoxyphosphoryl)-4-nitro-3-(4-nitrophenyl)pentanoate","Acta Crystallographica Section E","2006","62","7","o2743","o2745","10.1107/S1600536806020721","","","1.54178","CuKα","","0.0732","0.0715","","","0.206","0.2075","","","","","","0.955","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209571","9.565","0.01","10.23","0.011","14.11","0.015","78.031","0.017","71.855","0.015","88.474","0.018","1282","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","[2-Oxidobenzaldehyde (4-hydroxylbenzoyl)hydrazonato]diphenyltin(IV) ethanol solvate","","- C28 H26 N2 O4 Sn -","- C28 H26 N2 O4 Sn -","- C56 H52 N4 O8 Sn2 -","2","1","KJ2009","Min Hong; Han-Dong Yin; Da-Qi Wang","[2-Oxidobenzaldehyde (4-hydroxylbenzoyl)hydrazonato]diphenyltin(IV) ethanol solvate","Acta Crystallographica Section E","2006","62","7","m1504","m1505","10.1107/S1600536806020745","","","0.71073","MoKα","","0.0852","0.0532","","","0.112","0.129","","","","","","0.998","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209572","15.684","0.008","7.459","0.003","7.067","0.004","90","","104.93","0.02","90","","798.8","0.7","153","2","153","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Hofmann pyridine complex","poly[dipyridinemanganese(II)-μ-cyano-nickelate(II)-tri-μ-cyano]","","- C14 H10 Mn N6 Ni -","- C14 H10 Mn N6 Ni -","- C28 H20 Mn2 N12 Ni2 -","2","0.25","KJ2010","Hosoya, Kazumasa; Sekiya, Ryo; Nishikiori, Shin-ichi","A Hofmann pyridine complex: poly[tetra-μ-cyano-dipyridinemanganese(II)nickel(II)]","Acta Crystallographica Section E","2006","62","7","m1627","m1629","10.1107/S1600536806022057","","","0.71069","MoKα","","0.0835","0.0777","","","0.2378","0.2392","","","","","","1.217","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209573","10.586","0.0006","5.688","0.0004","10.878","0.0007","90","","106.77","0.001","90","","627.14","0.07","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-argininium trifluoroacetic acid","","- C8 H15 F3 N4 O4 -","- C8 H15 F3 N4 O4 -","- C16 H30 F6 N8 O8 -","2","1","KJ2012","J. Suresh; R. V. Krishnakumar; S. Natarajan","<small>L</small>-Argininium trifluoroacetate","Acta Crystallographica Section E","2006","62","7","o3127","o3129","10.1107/S1600536806024743","","","0.71073","MoKα","","0.0654","0.0595","","","0.1442","0.1505","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209574","21.697","0.006","7.86","0.002","12.617","0.003","90","","102.535","0.005","90","","2100.4","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Anilino-4,5-dimethyl-1,3-thiazole","","- C11 H12 N2 S -","- C11 H12 N2 S -","- C88 H96 N16 S8 -","8","1","KJ2013","Jumal, Juliana.; Yamin, Bohari M.","2-Anilino-4,5-dimethyl-1,3-thiazole","Acta Crystallographica Section E","2006","62","7","o2893","o2894","10.1107/S1600536806022379","","","0.71073","MoKα","","0.065","0.044","","","0.109","0.12","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209575","11.1642","0.0008","7.9798","0.0004","12.3239","0.0009","90","","106.087","0.006","90","","1054.92","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Chloromethyl)triethylammonium chloride monohydrate","","- C7 H19 Cl2 N O -","- C7 H19 Cl2 N O -","- C28 H76 Cl8 N4 O4 -","4","1","KJ2014","Haberecht, Monika; Lerner, Hans-Wolfram; Bolte, Michael","(Chloromethyl)triethylammonium chloride monohydrate","Acta Crystallographica Section E","2006","62","7","o2836","o2837","10.1107/S1600536806021921","","","0.71073","MoKα","","0.0393","0.035","","","0.1097","0.1121","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209576","10.267","0.001","15.443","0.002","17.913","0.002","90","","92.098","0.002","90","","2838.3","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(8-tert-butyl-6-methyl-4H-1,3-benzoxazin-3-yl)benzene","","- C32 H40 N2 O2 -","- C32 H40 N2 O2 -","- C128 H160 N8 O8 -","4","1","KJ2015","Huerta, Raúl; Toscano, Rubén A.; Castillo, Ivan","1,4-Bis(8-<i>tert</i>-butyl-6-methyl-4<i>H</i>-1,3-benzoxazin-3-yl)benzene","Acta Crystallographica Section E","2006","62","7","o2938","o2940","10.1107/S1600536806022811","","","0.71073","MoKα","","0.1007","0.0616","","","0.1424","0.1595","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209577","16.626","0.0014","10.7341","0.0009","14.9916","0.0013","90","","113.628","0.002","90","","2451.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Dichloro(triethylamine-κN)(triphenylphosphine-κP)palladium(II)","","- C24 H30 Cl2 N P Pd -","- C24 H30 Cl2 N P Pd -","- C96 H120 Cl8 N4 P4 Pd4 -","4","1","KJ2016","Harding, Phimphaka; Harding, David J.; Saithong, Saowanit; Pakawatchai, Chaveng; Youngme, Sujittra","<i>trans</i>-Dichloro(triethylamine-κ<i>N</i>)(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section E","2006","62","7","m1616","m1617","10.1107/S1600536806022914","","","0.71073","MoKα","","0.0647","0.0518","","","0.1007","0.1056","","","","","","1.173","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209578","9.88","0.002","10.858","0.002","12.627","0.003","75.45","0.03","89.59","0.03","84.74","0.03","1305.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4,6-Dibenzoylisophthalic acid dimethyl sulfoxide disolvate","","- C26 H26 O8 S2 -","- C26 H26 O8 S2 -","- C52 H52 O16 S4 -","2","1","KP2021","Shan Liu; Guang-Liang Song; Jun-Mei Tang; Wen-Kai Xu; Hong-Jun Zhu","4,6-Dibenzoylisophthalic acid dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2006","62","7","o2697","o2699","10.1107/S1600536806020368","","","0.71073","MoKα","","0.1472","0.1029","","","0.1972","0.2168","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209579","11.631","0.001","24.686","0.001","8.198","0.001","90","","90","","90","","2353.8","0.4","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,3-Benzodioxol-5-ylmethaneammonium 2-methoxy-5-[(1<i>E</i>)-3-oxo-3-phenylprop-1-en-1-yl] bezenesulfonate monohydrate","","- C24 H25 N O8 S -","- C24 H25 N O8 S -","- C96 H100 N4 O32 S4 -","4","1","KP2022","da Silva, Luiz Everson; Andrighetti-Fröhner, Carla Regina; Nunes, Ricardo José; Simões, Cláudia Maria Oliveira; Foro, Sabine","(1,3-Benzodioxol-5-ylmethyl)ammonium 2-methoxy-5-[(1<i>E</i>)-3-oxo-3-phenylprop-1-en-1-yl]bezenesulfonate monohydrate","Acta Crystallographica Section E","2006","62","7","o2785","o2787","10.1107/S1600536806021076","","","1.5418","CuKα","","0.0543","0.0454","","","0.1216","0.1276","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209580","9.317","0.004","12.332","0.005","12.734","0.005","67.495","0.016","84.826","0.016","74.278","0.016","1301","0.9","298","1","","","","","","","","","","3","P -1","-P 1","2","","(<i>R</i>,<i>S</i>)-5-Carboxymethyl-5-phenyl-3-methylcyclohex-2-enone","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","2","KP2024","Yao, Li-Ying; Zhang, Chen; Wang, Bi-Song","(<i>R</i>,<i>S</i>)-Methyl 3-methyl-5-oxo-1-phenylcyclohex-3-ene-1-carboxylate","Acta Crystallographica Section E","2006","62","7","o2768","o2769","10.1107/S1600536806021441","","","0.71075","MoKα","","","0.0455","","","","0.1218","","","","","","1.016","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2209581","34.171","0.003","4.922","0.0003","19.4423","0.0017","90","","123.172","0.006","90","","2737.1","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-amino-6-methylpyridinium 2-formylbenzoate monohydrate","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C112 H128 N16 O32 -","8","1","KP2025","Büyükgüngör, Orhan; Odabaşoglu, Mustafa","2-Amino-6-methylpyridinium 2-formylbenzoate monohydrate","Acta Crystallographica Section E","2006","62","7","o2749","o2750","10.1107/S1600536806021106","","","0.71073","MoKα","","0.0585","0.0411","","","0.1084","0.1174","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209582","20.245","0.004","4.0211","0.0007","20.245","0.004","90","","117.38","","90","","1463.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-Chlorophenyl)-2-(quinolin-8-yloxy)acetamide","","- C17 H14 Cl N2 O2 -","- C17 H14 Cl N2 O2 -","- C68 H56 Cl4 N8 O8 -","4","1","KP2026","Shu-Sheng Zhang; Li-Li Xu; Hui-Ling Wen; Xue-Mei Li; Yong-Hong Wen","<i>N</i>-(2-Chlorophenyl)-2-(quinolin-8-yloxy)acetamide","Acta Crystallographica Section E","2006","62","7","o3071","o3072","10.1107/S1600536806023889","","","0.71073","MoKα","","0.0906","0.0537","","","0.1246","0.144","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209583","26.477","0.004","9.5444","0.0016","13.594","0.002","90","","103.475","0.002","90","","3340.7","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dimethyl[3-methoxyl-2-oxidobenzaldehyde oxido(phenyl)methylhydrazone]tin(IV)","","- C17 H18 N2 O3 Sn -","- C17 H18 N2 O3 Sn -","- C136 H144 N16 O24 Sn8 -","8","1","KP2027","Shao-Wen Chen; Han-Dong Yin","(3-Methoxy-2-oxidobenzaldehyde benzoylhydrazonato)dimethyltin(IV)","Acta Crystallographica Section E","2006","62","7","m1654","m1655","10.1107/S1600536806021465","","","0.71073","MoKα","","0.0424","0.0307","","","0.0746","0.0828","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209584","6.544","0.001","7.819","0.002","11.308","0.002","88.67","0.02","77.03","0.01","83.85","0.02","560.6","0.2","292","2","292","2","","","","","","","","5","P 1","P 1","1","Cichonidinium bis(perchlorate)","[(S)-quinolinium-4-yl][(2R,4R,8S)-8-vinylquinuclidinium-2-yl]methanol bis(perchlorate)","","- C19 H24 Cl2 N2 O9 -","- C19 H24 Cl2 N2 O9 -","- C19 H24 Cl2 N2 O9 -","1","1","LH2060","Zhi-Min Jin; Hui-Min Zhang; Bing Tu; Zhi-Yong Wu; Mao-Lin Hu","Cinchonidinium bis(perchlorate)","Acta Crystallographica Section E","2006","62","7","o2614","o2616","10.1107/S1600536806016692","","","0.71073","MoKα","","0.0486","0.0426","","","0.1172","0.1209","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209585","13.813","0.002","13.85","0.002","13.979","0.002","100.24","0.02","106.14","0.02","98.45","0.02","2472.9","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis{2-[2-(ethylamino)ethyliminomethyl]phenolato}nickel(II) perchlorate","","- C22 H31 Cl N4 Ni O6 -","- C22 H31 Cl N4 Ni O6 -","- C88 H124 Cl4 N16 Ni4 O24 -","4","2","LH2064","Zhong-Lu You; Jing-Yun Chi","{2-[2-(Ethylamino)ethyliminomethyl]phenol}{2-[2-(ethylamino)ethyliminomethyl]phenolato}nickel(II) perchlorate","Acta Crystallographica Section E","2006","62","7","m1498","m1500","10.1107/S1600536806017302","","","0.71073","MoKα","","0.085","0.0574","","","0.1398","0.1565","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209586","5.7376","0.0006","9.389","0.0009","16.2562","0.0016","90","","90","","90","","875.73","0.15","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl 2,3-amino-3-N,4-O-carbonyl-2,3-N-cyclo-2,3,6-trideoxy-α-L-allopyranoside","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","LH2066","Mendlik, Matthew T.; Coleman, Robert S.; Qi, Guizhong; Lowary, Todd L.; McDonald, Robert","Methyl 2,3-amino-3-<i>N</i>,4-<i>O</i>-carbonyl-2,3-<i>N</i>-<i>cyclo</i>-2,3,6-trideoxy-β-<small>L</small>-allopyranoside","Acta Crystallographica Section E","2006","62","7","o2573","o2575","10.1107/S1600536806016709","","","0.71073","MoKα","","0.031","0.0294","","","0.0808","0.0823","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209587","8.836","0.0018","15.394","0.003","9.988","0.002","90","","94.66","0.03","90","","1354.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Chlorophenyl)-1-(3,4-dimethyl-2,5-dihydro-1H-pyrrol-1-yl)prop-2-enone","","- C15 H16 Cl N O -","- C15 H16 Cl N O -","- C60 H64 Cl4 N4 O4 -","4","1","LH2070","Hu, Yi-Min; Wu, Feng-Hua; Qu, Yuan; Zhang, Xia; Song, Feng-Fa","3-(4-Chlorophenyl)-1-(3,4-dimethyl-2,5-dihydro-1<i>H</i>-pyrrol-1-yl)prop-2-enone","Acta Crystallographica Section E","2006","62","7","o2830","o2831","10.1107/S1600536806021647","","","0.71073","MoKα","","0.1474","0.0731","","","0.1515","0.1859","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209588","11.986","0.003","24.134","0.006","14.226","0.003","90","","114.913","0.001","90","","3732.2","1.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua[tris(1H-benzimidazol-2-ylmethyl)amine]copper(II) bis(perchlorate) 4-nitropyridine N-oxide monohydrate","","- C29 H29 Cl2 Cu N9 O13 -","- C29 H29 Cl2 Cu N9 O13 -","- C116 H116 Cl8 Cu4 N36 O52 -","4","1","LH2074","Hui-Lu Wu; Wen-Kui Dong; Ying Chen","Aqua[tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine]copper(II) bis(perchlorate) 4-nitropyridine <i>N</i>-oxide monohydrate","Acta Crystallographica Section E","2006","62","7","m1708","m1710","10.1107/S1600536806023087","","","0.71073","MoKα","","0.0586","0.0446","","","0.1272","0.131","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209589","7.2244","0.0013","6.4049","0.0012","10.162","0.0019","90","","106.692","0.003","90","","450.4","0.14","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Ag(C9O2NH10)]~n~","catena-Poly[silver(I)-μ-L-phenylalaninato-κ^2^N:O]","","- C9 H10 Ag N O2 -","- C9 H10 Ag N O2 -","- C18 H20 Ag2 N2 O4 -","2","1","LH2081","Li Wang; Yamei Pei","<i>catena</i>-Poly[silver(I)-μ-<small>L</small>-phenylalaninato-κ^2^<i>N</i>:<i>O</i>]","Acta Crystallographica Section E","2006","62","7","m1487","m1488","10.1107/S1600536806019568","","","0.71073","MoKα","","0.0546","0.0467","","","0.1383","0.1708","","","","","","1.241","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209590","8.2325","0.0011","14.2854","0.0018","14.8231","0.0019","90","","93.474","0.002","90","","1740.1","0.4","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[2-(3-Ethyl-4-methyl-2-oxo-3-pyrrolidine-1- carboxamido)ethyl]benzenesulfonamide","","- C16 H21 N3 O4 S -","- C16 H21 N3 O4 S -","- C64 H84 N12 O16 S4 -","4","1","LH2084","Xiang Li","4-[2-(3-Ethyl-4-methyl-2-oxo-3-pyrrolidine-1-carboxamido)ethyl]benzenesulfonamide","Acta Crystallographica Section E","2006","62","7","o3019","o3020","10.1107/S1600536806021660","","","0.71073","MoKα","","0.0585","0.0507","","","0.1206","0.1258","","","","","","1.099","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209591","5.8684","0.0017","7.661","0.002","11.716","0.004","89.794","0.005","88.512","0.005","85.991","0.005","525.3","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(dicyanamido)bis[4-(2-pyridyl)-4H-1,2,4-triazole-κN^1^]cobalt(II)","","- C18 H16 Co N14 O2 -","- C18 H16 Co N14 O2 -","- C18 H16 Co N14 O2 -","1","0.5","LH2085","Yu-Hong Ma; Pi-Zhuang Ma; Huan-Qin Zhu; Chang-Cheng Liu","Diaquabis(dicyanamido)bis[4-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]cobalt(II)","Acta Crystallographica Section E","2006","62","7","m1479","m1481","10.1107/S1600536806020459","","","0.71073","MoKα","","0.031","0.0277","","","0.068","0.0696","","","","","","1.063","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2209592","6.3749","0.0005","9.9173","0.0007","13.601","0.001","90","","90","","90","","859.88","0.11","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2,3-amino-3-N,4-O-carbonyl-2,3-N-cyclo-2,3,6-trideoxy-α-L- allopyranoside","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","LH2087","Mendlik, Matthew T.; Coleman, Robert S.; Qi, Guizhong; Lowary, Todd L.; Ferguson, Michael J.","Methyl 2,3-amino-3-<i>N</i>,4-<i>O</i>-carbonyl-2,3-<i>N</i>-<i>cyclo</i>-2,3,6-trideoxy-α-<small>L</small>-allopyranoside","Acta Crystallographica Section E","2006","62","7","o2576","o2577","10.1107/S1600536806019507","","","0.71073","MoKα","","0.0336","0.0323","","","0.0881","0.0896","","","","","","1.086","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209593","14.1016","0.0008","9.8811","0.0006","27.016","0.002","90","","90","","90","","3764.4","0.4","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,5-Bis(3,7-dichloroquinolin-8-yl)-1,3,4-oxadiazole","","- C20 H8 Cl4 N4 O -","- C20 H8 Cl4 N4 O -","- C160 H64 Cl32 N32 O8 -","8","1","LH2088","Ye, E; Zhang, Yong-Wei; Wang, Hui; Niu, Yun-Yin; Ng, Seik Weng","2,5-Bis(3,7-dichloroquinolin-8-yl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2006","62","7","o2594","o2595","10.1107/S1600536806019702","","","0.71073","MoKα","","0.064","0.038","","","0.089","0.103","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209594","12.9462","0.0003","7.0036","0.0001","23.5856","0.0005","90","","96.163","0.001","90","","2126.15","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-3,12-Dioxo-5β-cholanic acid","","- C24 H36 O4 -","- C24 H36 O4 -","- C96 H144 O16 -","4","2","LH2089","Kikolski, Elizabeth M.; Davison, Mark; Lalancette, Roger A.; Thompson, Hugh W.","(+)-3,12-Dioxo-5β-cholanic acid: hydrogen bonding in a diketo bile-acid derivative","Acta Crystallographica Section E","2006","62","7","o2641","o2643","10.1107/S1600536806019726","","","1.54178","CuKα","","0.029","0.028","","","0.071","0.072","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209595","12.277","0.003","18.803","0.004","17.132","0.004","90","","93.922","0.009","90","","3945.6","1.6","100","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2,4,6-Trimethyldithiobenzoato-κ^2^S,S')bis(triphenylphosphine-κP)gold(I)","","- C46 H41 Au P2 S2 -","- C46 H41 Au P2 S2 -","- C184 H164 Au4 P8 S8 -","4","2","LH2090","Davis, Despina; Fronczek, Frank R.; Schuerman, Judith A.; Selbin, Joel; Watkins, Steven F.","(2,4,6-Trimethyldithiobenzoato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphine-κ<i>P</i>)gold(I)","Acta Crystallographica Section E","2006","62","7","m1524","m1526","10.1107/S1600536806020460","","","0.71073","MoKα","","","0.0663","","","","0.0987","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209596","7.5696","0.0003","22.176","0.002","8.4099","0.0004","90","","110.802","0.003","90","","1319.69","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dinitrobenzoyl)-N'-phenylhydrazine","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","LH2091","Wardell, Solange M. S. V.; Souza, Marcus V. N. de; Wardell, James L.; Low, John N.; Glidewell, Christopher","<i>N</i>-(3,5-Dinitrobenzoyl)-<i>N</i>'-phenylhydrazine: sheets built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section E","2006","62","7","o2589","o2591","10.1107/S1600536806020228","","","0.71073","MoKα","","0.0953","0.0521","","","0.117","0.1444","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209597","26.6249","0.0019","26.6249","0.0019","7.1739","0.0007","90","","90","","90","","5085.5","0.7","173","2","173","2","","","","","","","","4","P 4/n :2","-P 4a","85","","cyclo-Tris(μ~2~-3-phenyl-1H-pyrazole)tricopper(I)","","- C27 H21 Cu3 N6 -","- C27 H21 Cu3 N6 -","- C216 H168 Cu24 N48 -","8","1","LH2093","Morawitz, Thorsten; Lerner, Hans-Wolfram; Bolte, Michael","<i>cyclo</i>-Tris(μ~2~-3-phenyl-1<i>H</i>-pyrazole)tricopper(I)","Acta Crystallographica Section E","2006","62","7","m1474","m1476","10.1107/S1600536806020708","","","0.71073","MoKα","","0.1502","0.0552","","","0.1083","0.1314","","","","","","0.793","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209598","22.7837","0.0015","3.8307","0.0002","21.7292","0.0013","90","","100.129","0.003","90","","1866.91","0.19","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Acetone 3-nitrophenylhydrazone","","- C9 H11 N3 O2 -","- C9 H11 N3 O2 -","- C72 H88 N24 O16 -","8","1","LH2094","Wardell, Solange M. S. V.; Souza, Marcus V. N. de; Wardell, James L.; Low, John N.; Glidewell, Christopher","Acetone 3-nitrophenylhydrazone, redetermined at 120K: sheets built from N—H···O, C—H···O and C—H···N hydrogen bonds","Acta Crystallographica Section E","2006","62","7","o2838","o2840","10.1107/S1600536806020472","","","0.71073","MoKα","","0.1001","0.0581","","","0.1259","0.1455","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209599","7.498","0.0003","8.132","0.0002","9.7759","0.0003","71.609","0.002","80.822","0.002","89.033","0.002","558.03","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Acetone (2,6-dichlorobenzoyl)hydrazone","","- C10 H10 Cl2 N2 O -","- C10 H10 Cl2 N2 O -","- C20 H20 Cl4 N4 O2 -","2","1","LH2095","Wardell, Solange M. S. V.; Souza, Marcus V. N. de; Wardell, James L.; Low, John N.; Glidewell, Christopher","Acetone (2,6-dichlorobenzoyl)hydrazone: chains of π-stacked hydrogen-bonded dimers","Acta Crystallographica Section E","2006","62","7","o2841","o2843","10.1107/S1600536806020691","","","0.71073","MoKα","","0.0597","0.0384","","","0.0865","0.0962","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209600","10.246","0.002","15.759","0.003","20.087","0.004","90","","92.94","0.03","90","","3239.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1-Bis(tert-butylamido)-3,3,5,5-tetraphenylcyclotrisiloxane","","- C32 H40 N2 O3 Si3 -","- C32 H40 N2 O3 Si3 -","- C128 H160 N8 O12 Si12 -","4","1","LH2096","Copsey, May C.; Balakrishna, Maravanji S.; Chivers, Tristram","1,1-Bis(<i>tert</i>-butylamido)-3,3,5,5-tetraphenylcyclotrisiloxane","Acta Crystallographica Section E","2006","62","7","o2813","o2814","10.1107/S1600536806021672","","","0.71073","MoKα","","0.073","0.0455","","","0.1032","0.1174","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209601","11.871","0.003","18.17","0.004","13.26","0.003","90","","91.386","0.004","90","","2859.3","1.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) butylmalonate","","- C27 H50 N2 O4 -","- C27 H50 N2 O4 -","- C108 H200 N8 O16 -","4","1","LH2097","Tao Zeng; Li-Gong Chen","Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) butylmalonate","Acta Crystallographica Section E","2006","62","7","o2914","o2915","10.1107/S1600536806022513","","","0.71073","MoKα","","0.1474","0.0535","","","0.123","0.1647","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209602","5.3123","0.001","14.199","0.003","12.063","0.002","90","","97.347","0.002","90","","902.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(3-hydroxypyridine N-oxide)dithiocyanatocobalt(II)","","- C12 H14 Co N4 O6 S2 -","- C12 H14 Co N4 O6 S2 -","- C24 H28 Co2 N8 O12 S4 -","2","0.5","LH2098","Shi, Jing-Min; Xu, Hai-Yan; Liu, Lian-Dong","Diaquabis(3-hydroxypyridine <i>N</i>-oxide)dithiocyanatocobalt(II)","Acta Crystallographica Section E","2006","62","7","m1577","m1578","10.1107/S1600536806022185","","","0.71073","MoKα","","0.0307","0.0273","","","0.0672","0.0687","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209603","15.679","0.003","15.381","0.003","16.734","0.003","90","","109.78","0.03","90","","3797.4","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[μ~2~-bis(2,6-diisopropylphenylamido)phenylphosphine]bis(diethyl ether)dilithium(I)","","- C38 H59 Li2 N2 O2 P -","- C38 H59 Li2 N2 O2 P -","- C152 H236 Li8 N8 O8 P4 -","4","1","LH2099","Copsey, May C.; Chivers, Tristram","A monomeric <i>N</i>,<i>N</i>'-dilithiobis(amido)organophosphane","Acta Crystallographica Section E","2006","62","7","m1560","m1561","10.1107/S1600536806021945","","","0.71073","MoKα","","0.0889","0.0499","","","0.106","0.1228","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209604","9.839","0.006","10.937","0.004","13.836","0.008","90","","90","","90","","1488.9","1.4","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","N-Benzoyl-N'-methyl-N'-(p-tolylsulfonyl)hydrazine","N-Methyl-N-[(4-methylphenyl)sulfonyl]-N'-benzoylhydrazine","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","LH2100","Zareef, Muhammad; Iqbal, Rashid; Zaidi, Javid H.; Arfan, Muhammad; Parvez, Masood","<i>N</i>-Benzoyl-<i>N</i>'-methyl-<i>N</i>'-(<i>p</i>-tolylsulfonyl)hydrazine","Acta Crystallographica Section E","2006","62","7","o3049","o3051","10.1107/S1600536806023877","","","0.71073","MoKα","","0.063","0.044","","","0.09","0.1","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209605","8.144","0.005","13.717","0.01","10.644","0.008","90","","108.27","0.03","90","","1129.1","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(4-Methylphenyl)sulfonyl]pyrrolidin-2-one","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","1","LH2101","Zareef, Muhammad; Iqbal, Rashid; Zaidi, Javid H.; Arfan, Muhammad; Parvez, Masood","1-[(4-Methylphenyl)sulfonyl]pyrrolidin-2-one","Acta Crystallographica Section E","2006","62","7","o2955","o2957","10.1107/S1600536806022719","","","0.71073","MoKα","","0.042","0.036","","","0.09","0.094","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209606","10.2197","0.0014","10.3097","0.0014","10.2801","0.0014","90","","99.415","0.002","90","","1068.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","C30 H64 N10 O10 Ni2 I2","","","- C15 H32 I N5 Ni O5 -","- C15 H32 I N5 Ni O5 -","- C30 H64 I2 N10 Ni2 O10 -","2","1","LH2102","Yamei Pei; Li Wang","[Tris(2-aminoethyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''](<small>L</small>-tyrosinato-κ^2^<i>N</i>,<i>O</i>)nickel(II) iodide dihydrate","Acta Crystallographica Section E","2006","62","7","m1668","m1670","10.1107/S160053680602366X","","","0.71073","MoKα","","0.0425","0.0373","","","0.1003","0.1058","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209607","16.023","0.007","20.624","0.005","5.493","0.008","90","","90","","90","","1815","3","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[3-Dicyanomethylene-2-(3-methoxybenzylidene)indan-1-ylidene]malononitrile","","- C23 H12 N4 O -","- C23 H12 N4 O -","- C92 H48 N16 O4 -","4","1","LH2104","Palusiak, Marcin; Plażuk, Damian; Zakrzewski, Janusz","2-[3-Dicyanomethylene-2-(3-methoxybenzylidene)indan-1-ylidene]malononitrile","Acta Crystallographica Section E","2006","62","7","o3052","o3053","10.1107/S1600536806023506","","","0.71073","MoKα","","","0.031","","","","0.0652","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209608","8.986","0.0002","12.4111","0.0003","13.6138","0.0003","90","","92.006","0.002","90","","1517.36","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Bromo-β-(2-oxoquinolin-4-yloxy)cinnamonitrile","","- C18 H11 Br N2 O2 -","- C18 H11 Br N2 O2 -","- C72 H44 Br4 N8 O8 -","4","1","LH2107","Cruz, Silvia; Torre, Jose M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","4-Bromo-β-(2-oxoquinolin-4-yloxy)cinnamonitrile: a three-dimensional framework structure built from N—H···O and C—H···O hydrogen bonds, and bromo‒carbonyl and aromatic π‒π stacking interactions","Acta Crystallographica Section E","2006","62","7","o3056","o3058","10.1107/S1600536806023518","","","0.71073","MoKα","","0.0427","0.032","","","0.0762","0.0801","","","","","","1.163","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209609","9.93","0.005","12.043","0.002","11.885","0.001","90","","96.56","0.02","90","","1412","0.8","296.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ~2~-O,O'-dimethyl dithiophosphato)mercury(II)]","","- C4 H12 Hg O4 P2 S4 -","- C4 H12 Hg O4 P2 S4 -","- C16 H48 Hg4 O16 P8 S16 -","4","1","LH2108","Tetsuzo Ito","Poly[bis(μ~2~-<i>O</i>,<i>O</i>'-dimethyl dithiophosphato)mercury(II)]","Acta Crystallographica Section E","2006","62","7","m1666","m1667","10.1107/S1600536806023658","","","0.7107","MoKα","","","0.031","","","","0.033","","","","","","1.459","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209610","5.6511","0.0004","10.0628","0.0007","12.0169","0.0009","90.769","0.003","91.033","0.003","98.626","0.003","675.42","0.08","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","N-(3-Flurobenzoyl)-N'-phenylthiourea","","- C14 H11 F N2 O S -","- C14 H11 F N2 O S -","- C28 H22 F2 N4 O2 S2 -","2","1","NC2014","Zhang, You-Ming; Qin, Jing-Dong; Lin, Qi; Wei, Tai-Bao","<i>N</i>-(3-Flurobenzoyl)-<i>N</i>'-phenylthiourea","Acta Crystallographica Section E","2006","62","7","o2880","o2882","10.1107/S1600536806021878","","","0.71073","MoKα","","0.0362","0.0327","","","0.0918","0.0954","","","","","","0.992","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209611","8.1734","0.0005","13.3367","0.0008","14.9091","0.001","67.682","0.001","84.243","0.001","79.368","0.001","1476.81","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Chlorobis(1,10-phenanthroline-κ^2^N,N')copper(II) 4-aminobenzenesulfonate trihydrate","","- C30 H26 Cl Cu N5 O6 S -","- C30 H26 Cl Cu N5 O6 S -","- C60 H52 Cl2 Cu2 N10 O12 S2 -","2","1","NC2017","Sui, Ai-Xiang; Zhu, Gang; Tang, Zong-Xun","Chlorobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) 4-aminobenzenesulfonate trihydrate","Acta Crystallographica Section E","2006","62","7","m1592","m1594","10.1107/S1600536806022203","","","0.71073","MoKα","","0.0534","0.0369","","","0.0973","0.1027","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209612","8.725","0.002","11.641","0.003","19.313","0.005","90","","90","","90","","1961.6","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-N-[(R)-1-(2-Hydroxy-5-methylphenyl)propyl]-N-[(R)-2-methyl-1- phenylpropyl]ammonium chloride","","- C20 H28 Cl N O -","- C20 H28 Cl N O -","- C80 H112 Cl4 N4 O4 -","4","1","OB2018","Xiao-Feng Yang; Da-Qi Wang; Guang-You Zhang; Takuji Hirose","(+)-<i>N</i>-[(<i>R</i>)-1-(2-Hydroxy-5-methylphenyl)propyl]-<i>N</i>-[(<i>R</i>)-2-methyl-1-phenylpropyl]ammonium chloride","Acta Crystallographica Section E","2006","62","7","o2622","o2624","10.1107/S1600536806020848","","","0.71073","MoKα","","0.0635","0.0392","","","0.0858","0.1016","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209613","16.878","0.004","16.488","0.004","24.107","0.005","90","","90","","90","","6709","3","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{2-[1-(N-Benzyl-N-methylamino)ethyl]ferrocenyl- κ^2^N,C^1^}chloro(triphenylphosphine-κP)palladium(II)","","- C38 H37 Cl Fe N P Pd -","- C38 H37 Cl Fe N P Pd -","- C304 H296 Cl8 Fe8 N8 P8 Pd8 -","8","1","OB2021","Hong-Xing Wang; Feng-Ying Geng; Jian Xu; Hong-Fei Wu; Ren-Qing Gao","{2-[1-(<i>N</i>-Benzyl-<i>N</i>-methylamino)ethyl]ferrocenyl- κ^2^<i>N</i>,<i>C</i>^1^}chloro(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section E","2006","62","7","m1485","m1486","10.1107/S1600536806020307","","","0.71073","MoKα","","0.035","0.0242","","","0.0565","0.0606","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209614","8.7343","0.001","14.5983","0.0016","7.1682","0.0008","90","","110.157","0.002","90","","858.01","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2-ethoxyphenyl)oxamide","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","0.5","OB2022","Yong-Hong Wen; Li-Li Xu; Xue-Mei Li; Shu-Sheng Zhang","<i>N</i>,<i>N</i>'-Bis(2-ethoxyphenyl)oxamide","Acta Crystallographica Section E","2006","62","7","o2592","o2593","10.1107/S1600536806019623","","","0.71073","MoKα","","0.0659","0.0438","","","0.1049","0.1158","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209615","11.7365","0.0019","5.8687","0.0005","14.251","0.002","90","","134.496","0.004","90","","700.16","0.17","93.1","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","1-(8-Quinolylaminomethylene)naphthalen-2(1H)-one","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","OB2023","Sakane, Genta; Kawasaki, Hideki; Shibahara, Takashi","1-(8-Quinolylaminomethylene)naphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2736","o2737","10.1107/S1600536806020836","","","0.7107","MoKα","","","0.0366","","","","0.1074","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209616","7.857","0.0009","16.61","0.0019","8.9443","0.001","90","","97.134","0.002","90","","1158.2","0.2","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-[(3S)-3-(2,4-dichlorophenyl-4-methyl)pentanoyl]bornane-10,2-sultam","","- C22 H29 Cl2 N O3 S -","- C22 H29 Cl2 N O3 S -","- C44 H58 Cl4 N2 O6 S2 -","2","1","OB2025","Cao, Xiu-Fang; Lu, Wen-Chang; Yu, Guang-Ao; Liu, Sheng-Hua; Meng, Xiang-Gao","(+)-<i>N</i>-[(3<i>S</i>)-3-(2,4-Dichlorophenyl-4-methyl)pentanoyl]bornane-10,2-sultam","Acta Crystallographica Section E","2006","62","7","o3069","o3070","10.1107/S1600536806023816","","","0.71073","MoKα","","0.0449","0.0422","","","0.1168","0.126","","","","","","1.108","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209617","9.0997","0.0011","9.9104","0.0014","17.54","0.002","92.876","0.01","100.365","0.01","105.41","0.01","1492","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","2-{[4-(3-Methyl-3-mesitylcyclobutyl)thiazol]hydrazono}-1,2-diphenylethanol ethanol solvate","","- C33 H39 N3 O2 S -","- C33 H39 N3 O2 S -","- C66 H78 N6 O4 S2 -","2","1","OB2026","Çiğdem Yüksektepe; Nezihe Çalışkan; Ibrahim Yılmaz; Alaaddin Çukurovali","2-{[4-(3-Mesityl-3-methylcyclobutyl)thiazol-2-yl]hydrazono}-1,2-diphenylethanol ethanol solvate","Acta Crystallographica Section E","2006","62","7","o2762","o2764","10.1107/S1600536806021337","","","0.71073","MoKα","","0.1138","0.0501","","","0.0928","0.1073","","","","","","0.873","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209618","28.635","0.005","11.815","0.002","14.584","0.003","90","","117.458","0.003","90","","4378.3","1.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Hexaaquacadmium(II) bis{[N-(2-oxidobenzylidene)alanylglycinato]cuprate(II)} dodecahydrate","","- C24 H58 Cd Cu2 N4 O26 -","- C24 H58 Cd Cu2 N4 O26 -","- C96 H232 Cd4 Cu8 N16 O104 -","4","0.5","OB2027","Wen-Long Liu; Yan-Yan Zhang; Yao Lu; Xiao-Ya Hu","Hexaaquacadmium(II) bis{[<i>N</i>-(2-oxidobenzylidene)alanylglycinato]cuprate(II)} dodecahydrate","Acta Crystallographica Section E","2006","62","7","m1582","m1583","10.1107/S160053680602229X","","","0.71073","MoKα","","0.0627","0.0413","","","0.092","0.0961","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209619","6.6085","0.0008","10.7724","0.0012","20.809","0.002","90","","95.942","0.002","90","","1473.4","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Bipyridine‒2,4-dihydroxybenzoic acid (1/1)","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","OB2028","Wang, Zi-Liang; Wei, Lin-Heng; Li, Ming-Xue","4,4'-Bipyridine‒2,4-dihydroxybenzoic acid (1/1)","Acta Crystallographica Section E","2006","62","7","o3031","o3032","10.1107/S160053680602201X","","","0.71073","MoKα","","0.0765","0.0555","","","0.142","0.1554","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209620","13.582","0.002","11.552","0.002","16.127","0.003","90","","99.019","0.003","90","","2499","0.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Bis[5-(3,5-difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5- hexafluorocyclopent-1-ene","","- C27 H14 F10 S2 -","- C27 H14 F10 S2 -","- C108 H56 F40 S8 -","4","1","OB2029","Liu, Gang; Zheng, Tong; Pu, Shou-Zhi; Xu, Jing-Kun","1,2-Bis[5-(3,5-difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene: a new photochromic diarylethene compound","Acta Crystallographica Section E","2006","62","7","o2877","o2879","10.1107/S1600536806022306","","","0.71073","MoKα","","0.0774","0.0401","","","0.0918","0.1124","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209621","28.3884","0.0005","3.9343","0.0001","12.0092","0.0002","90","","90","","90","","1341.29","0.05","100","0.1","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(2,4-Dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one","","- C16 H12 Cl2 O -","- C16 H12 Cl2 O -","- C64 H48 Cl8 O4 -","4","1","OB2030","P. S. Patil; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","3-(2,4-Dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","7","o3096","o3098","10.1107/S1600536806024445","","","0.71073","MoKα","","0.0665","0.0568","","","0.1319","0.1407","","","","","","1.181","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209622","18.2875","0.0013","9.091","0.0005","22.6813","0.0017","90","","105.619","0.009","90","","3631.6","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","18,24-bis(p-tolylsulfonamide)-2,5,8,11,21-pentaoxa-15,27-dithia-18,24- diazatricyclo[24.3.0.0]nonacosa-1(26),12(16),13,28-tetraene","","- C34 H42 N2 O9 S4 -","- C34 H42 N2 O9 S4 -","- C136 H168 N8 O36 S16 -","4","1","OB2031","Gaël Labat; Joan Halfpenny","A thiophene-based azacryptand Mannich base: 18,24-bis(<i>p</i>-tolylsulfonamido)-2,5,8,11,21-pentaoxa-15,27-dithia-18,24-diazatricyclo[24.3.0.0]nonacosa-1(26),12(16),13,28-tetraene","Acta Crystallographica Section E","2006","62","7","o3087","o3089","10.1107/S1600536806024317","","","0.71073","MoKα","","0.072","0.0434","","","0.0995","0.1075","","","","","","0.876","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209623","18.375","0.004","18.236","0.004","6.5954","0.0015","90","","93.68","0.005","90","","2205.5","0.8","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-fluoro-N'-(4-fluoro-3-phenoxybenzoyl)-3-phenoxybenzohydrazide","","- C26 H18 F2 N2 O4 -","- C26 H18 F2 N2 O4 -","- C104 H72 F8 N8 O16 -","4","1","OB2033","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.","4-Fluoro-<i>N</i>'-(4-fluoro-3-phenoxybenzoyl)-3-phenoxybenzohydrazide","Acta Crystallographica Section E","2006","62","7","o3085","o3086","10.1107/S1600536806024342","","","0.71073","MoKα","","0.0999","0.0976","","","0.1786","0.1968","","","","","","1.288","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209624","8.451","0.0006","9.398","0.0011","33.404","0.003","90","","90","","90","","2653","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","(23S,25R)-3β,23-Dihydroxy-5-spirosten-3-yl acetate","","- C29 H44 O5 -","- C29 H44 O5 -","- C116 H176 O20 -","4","1","OB3007","Flores- Alamo, Marcos; Benitez-Montelongo, Montserrat; Moreno-Esparza, Rafael; Iglesias-Arteaga, Martin A.","(23<i>S</i>,25<i>R</i>)-3β,23-Dihydroxy-5-spirosten-3-yl acetate","Acta Crystallographica Section E","2006","62","7","o2805","o2806","10.1107/S1600536806020265","","","0.71073","MoKα","","0.0812","0.044","","","0.0879","0.1028","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209625","5.7279","0.0017","8.076","0.003","10.668","0.003","105.924","0.004","96.726","0.002","97.816","0.004","463.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquazinc(II)]-μ~2~-4,4'-bipyridine-κ^2^N:N'-μ~2~-p- phenylenebis(oxyacetato)-κ^2^O:O']","","- C20 H20 N2 O8 Zn -","- C20 H20 N2 O8 Zn -","- C20 H20 N2 O8 Zn -","1","0.5","OM2020","Yu-Mei Dai; Jin-Feng Huang; Shun-Yu Chen; Hui-Ying Shen; Ruo-He Chen","Poly[[diaquazinc(II)]-μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-μ~2~-<i>p</i>-phenylenebis(oxyacetato)-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","7","m1697","m1698","10.1107/S1600536806023932","","","0.71073","MoKα","","","0.0242","","","0.0636","0.0645","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209626","8.0695","0.0001","13.4132","0.0002","13.9965","0.0002","111.114","0.0006","90.0322","0.0006","93.6854","0.0007","1409.87","0.03","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","2,2',3,4,4',5,5'-Heptachlorobiphenyl","","- C12 H3 Cl7 -","- C12 H3 Cl7 -","- C48 H12 Cl28 -","4","2","OM2021","Vyas, Sandhya M.; Parkin, Sean; Lehmler, Hans-Joachim","2,2',3,4,4',5,5'-Heptachlorobiphenyl (PCB 180)","Acta Crystallographica Section E","2006","62","7","o2905","o2906","10.1107/S1600536806022240","","","0.71073","MoKα","","0.0468","0.0331","","","0.0806","0.0874","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209627","12.0097","0.0008","6.3118","0.0004","18.8101","0.0013","90","","100.337","0.001","90","","1402.72","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)-3-(4-methylbenzoyl)thiourea","","- C15 H13 Cl N2 O S -","- C15 H13 Cl N2 O S -","- C60 H52 Cl4 N8 O4 S4 -","4","1","OM2022","Saeed, Aamer; Flörke, Ulrich","1-(4-Chlorophenyl)-3-(4-methylbenzoyl)thiourea","Acta Crystallographica Section E","2006","62","7","o2924","o2925","10.1107/S1600536806022501","","","0.71073","MoKα","","0.0513","0.0425","","","0.1037","0.1093","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209628","26.285","0.005","19.755","0.004","19.376","0.004","90","","126.24","0.03","90","","8115","4","165","2","165","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis[μ-1,3-bis(4-methyl-2-pyridylimino)isoindolinato]trimercury(II) dinitrate methanol tetrasolvate","","- C84 H80 Hg3 N22 O10 -","- C84 H80 Hg3 N22 O10 -","- C336 H320 Hg12 N88 O40 -","4","0.5","OM2023","Wicholas, Mark; Dietrich, Brandon L.; Anderson, Oren P.; Cour, Agnete la","Tetrakis[μ-1,3-bis(4-methyl-2-pyridylimino)isoindolinato]trimercury(II) dinitrate methanol tetrasolvate","Acta Crystallographica Section E","2006","62","7","m1689","m1690","10.1107/S1600536806023944","","","0.71073","MoKα","","0.0521","0.0329","","","0.0616","0.0657","","","","","","0.969","","","","has coordinates,has Fobs","194546","2020-10-21","18:00:00",""
"2209629","9.9291","0.0004","18.5953","0.0006","10.4394","0.0004","90","","108.015","0.002","90","","1832.98","0.12","295","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2,6-Diisopropylphenylimino)-1-phenylpropan-1-one","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","OM2026","Ferreira, Leonardo C.; Filgueiras, Carlos Alberto L.; Hörner, Manfredo; Visentin, Lorenzo do C.; Bordinhao, Jairo","2-(2,6-Diisopropylphenylimino)-1-phenylpropan-1-one","Acta Crystallographica Section E","2006","62","7","o2969","o2970","10.1107/S1600536806023117","","","0.71073","MoKα","","","0.0476","","","","0.1437","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209630","10.827","0.005","10.818","0.005","27.055","0.012","90","","91.947","0.008","90","","3167","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-Bis{α-[(4-methylbenzyl)imino]benzyl}ferrocene","","- C40 H36 Fe N2 -","- C40 H36 Fe N2 -","- C160 H144 Fe4 N8 -","4","1","OM2027","Hong-Xing Wang; Ren-Qing Gao; Hong-Fei Wu; Feng-Ying Geng; Xiao-Li Yang","1,1'-Bis{α-[(4-methylbenzyl)imino]benzyl}ferrocene","Acta Crystallographica Section E","2006","62","7","m1623","m1624","10.1107/S1600536806023129","","","0.71073","MoKα","","0.0651","0.0382","","","0.0881","0.1035","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209631","6.6358","0.0004","7.556","0.0005","27.4226","0.0016","90","","94.418","0.002","90","","1370.89","0.15","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethoxypyrimidine‒4-aminobenzoic acid (1/1)","","- C13 H16 N4 O4 -","- C13 H16 N4 O4 -","- C52 H64 N16 O16 -","4","1","OM2028","Kaliyaperumal Thanigaimani; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonding patterns in 2-amino-4,6-dimethoxypyrimidine‒4-aminobenzoic acid (1/1)","Acta Crystallographica Section E","2006","62","7","o2976","o2978","10.1107/S1600536806023130","","","0.71073","MoKα","","0.0605","0.0429","","","0.1156","0.127","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209632","8.1431","0.001","15.0711","0.0016","10.8067","0.0011","90","","93.266","0.007","90","","1324.1","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-(p-Tolylsulfonyl)-7-azabicyclo[4.1.0]heptane","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","RN2007","Zhen Yang; Ming-Jie Zhang; Jie Zhu","7-(<i>p</i>-Tolylsulfonyl)-7-azabicyclo[4.1.0]heptane","Acta Crystallographica Section E","2006","62","7","o3133","o3134","10.1107/S1600536806024512","","","0.7107","MoKα","","0.0916","0.0573","","","0.1297","0.1468","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209633","9.2897","0.0019","11.466","0.002","30.189","0.006","90","","95.85","0.03","90","","3198.9","1.1","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aquabis(2-phenyl-1,3,7,8-tetraazacyclopenta[l]phenanthrene)copper(II) dihydrate","","- C38 H28 Cu N8 O3 -","- C38 H28 Cu N8 O3 -","- C152 H112 Cu4 N32 O12 -","4","1","RZ2035","Guang-Bo Che; Chun-Bo Liu; Zhan-Lin Xu","Aquabis(2-phenyl-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene)copper(II) dihydrate","Acta Crystallographica Section E","2006","62","7","m1464","m1466","10.1107/S1600536806019532","","","0.71073","MoKα","","0.1435","0.0687","","","0.1248","0.1517","","","","","","1.023","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209634","11.121","0.002","7.242","0.0014","32.691","0.007","90","","90","","90","","2632.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-{1-[2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl]ethan-2-yl}-1H-1,2,4-triazole","","- C12 H11 Cl2 N3 O2 -","- C12 H11 Cl2 N3 O2 -","- C96 H88 Cl16 N24 O16 -","8","1","RZ2037","Xie, Xue-Qun; Yang, Chun-Long; Luo, Jin-Xiang; Li, Qian-Jin","1-{[1-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2006","62","7","o2858","o2859","10.1107/S1600536806021386","","","0.71073","MoKα","","0.0883","0.0572","","","0.0981","0.102","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209635","7.9166","0.0009","9.741","0.001","17.435","0.003","90","","90","","90","","1344.5","0.3","299","2","299","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methoxy rutaretin","2,3-dihydro-2-(1-hydroxy-1-methylethyl)-9-methoxy-7H-furo[3,2-g][1]benzopyran- 7-one","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","RZ2038","Bauri, A. K.; Foro, Sabine; Lindner, Hans J.; Nayak, S. K.","Methoxyrutaretin, a bioactive furanocoumarin isolated from <i>Trachyspermum stictocarpum</i>","Acta Crystallographica Section E","2006","62","7","o2900","o2901","10.1107/S1600536806021891","","","1.5418","CuKα","","0.031","0.0299","","","0.0849","0.0857","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209636","7.292","0.0005","13.8686","0.001","19.6429","0.0014","90","","98.009","0.001","90","","1967.1","0.2","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(1H-benzimidazol-2-ylmethyl)amine]dichloro(ethanol)manganese(II)","","- C18 H21 Cl2 Mn N5 O -","- C18 H21 Cl2 Mn N5 O -","- C72 H84 Cl8 Mn4 N20 O4 -","4","1","RZ2039","Yu, Bi-Bo; Meng, Xiang-Gao; Liao, Zhan-Ru","[Bis(1<i>H</i>-benzimidazol-2-ylmethyl)amine]dichloro(ethanol)manganese(II)","Acta Crystallographica Section E","2006","62","7","m1519","m1521","10.1107/S1600536806019830","","","0.71073","MoKα","","0.052","0.0383","","","0.0952","0.1011","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209637","21.888","0.003","6.9501","0.0008","8.3495","0.001","90","","97.618","0.003","90","","1258.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Poly[tetrametheylammonium [nitratouranyl-μ~3~-selenito]]","","- C4 H12 N2 O8 Se U -","- C4 H12 N2 O8 Se U -","- C16 H48 N8 O32 Se4 U4 -","4","0.5","RZ2040","Liu, Dong-Sheng; Huang, Gan-Sheng; Luo, Qiu-Yan; Xu, Ya-Ping; Li, Xin-Fa","Poly[tetramethylammonium [nitratouranyl-μ~3~-selenito]]","Acta Crystallographica Section E","2006","62","7","m1584","m1585","10.1107/S1600536806022045","","","0.71073","MoKα","","0.0347","0.029","","","0.0683","0.0701","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209638","7.2238","0.0004","8.175","0.0004","10.7958","0.0006","83.978","0.003","82.089","0.004","89.509","0.004","627.98","0.06","273","2","273","2","","","","","","","","4","P -1","-P 1","2","3-(2-chlorobenzyl)isocoumarin","3-(2-chlorobenzyl)-1H-isochromen-1-one","","- C16 H11 Cl O2 -","- C16 H11 Cl O2 -","- C32 H22 Cl2 O4 -","2","1","RZ2042","Obid-Ur-Rahman Abid; Nasim Hasan Rama; Ghulam Qadeer; Gul Shahzada Khan; Lu Xiao-Ming","3-(2-Chlorobenzyl)isocoumarin","Acta Crystallographica Section E","2006","62","7","o2895","o2896","10.1107/S1600536806022458","","","0.71073","MoKα","","0.0434","0.0325","","","0.0952","0.0995","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209639","7.842","0.0016","9.913","0.002","19.344","0.004","90","","94.43","0.03","90","","1499.3","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Bis[ethanone 1-(2-hydroxyphenyl)oximato]cobalt(II)","","- C16 H16 Co N2 O4 -","- C16 H16 Co N2 O4 -","- C64 H64 Co4 N8 O16 -","4","1","RZ2043","Hai-Lian Xiao; Fang-Fang Jian","<i>trans</i>-Bis{2-[1-(hydroxyimino)ethyl]phenolato}cobalt(II)","Acta Crystallographica Section E","2006","62","7","m1512","m1513","10.1107/S1600536806021258","","","0.71073","MoKα","","0.0607","0.0421","","","0.1094","0.1303","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209640","9.437","0.0019","16.714","0.003","17.907","0.005","90","","118.16","0.02","90","","2490.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-Pyridyl)methyl N-phenylthiocarbamate","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C104 H96 N16 O8 S8 -","8","2","RZ2044","Hai-Lian Xiao; Ke-Fei Wang; Fang-Fang Jian","(4-Pyridyl)methyl <i>N</i>-phenylthiocarbamate","Acta Crystallographica Section E","2006","62","7","o2852","o2853","10.1107/S160053680602191X","","","0.71073","MoKα","","0.1644","0.0487","","","0.1026","0.1297","","","","","","0.996","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209641","11.668","0.004","20.397","0.006","20.804","0.006","90","","90","","90","","4951","3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 3-(anilinocarbonothioyl)-6-methyl-2,4-diphenyl-1,2,3,4- tetrahydropyrimidine-5-carboxylate","","- C27 H27 N3 O2 S -","- C27 H27 N3 O2 S -","- C216 H216 N24 O16 S8 -","8","1","RZ2045","Shuwen Wang; Wei-Si Guo; Li-Rong Wen; Ming Li","Ethyl 3-(anilinocarbonothioyl)-6-methyl-2,4-diphenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2006","62","7","o2856","o2857","10.1107/S1600536806021933","","","0.71073","MoKα","","0.1254","0.0471","","","0.1007","0.1432","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209642","13.131","0.008","10.194","0.007","7.94","0.005","90","","102.29","0.011","90","","1038.5","1.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 2-ethoxy-1,6-dihydropyrimidine-5-carboxylate","","- C9 H14 N2 O3 -","- C9 H14 N2 O3 -","- C36 H56 N8 O12 -","4","1","SA2006","Liu, Yu-Xiu; Zhao, Qi-Qi; Song, Hai-Bin; Wang, Qing-Min; Huang, Run-Qiu","Ethyl 2-ethoxy-1,6-dihydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2006","62","7","o2599","o2600","10.1107/S1600536806020411","","","0.71073","MoKα","","0.0985","0.0452","","","0.1131","0.1411","","","","","","0.992","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209643","6.7815","0.0016","9.348","0.002","16.509","0.004","90","","90","","90","","1046.6","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[diaquadisodium(di-μ-malonato)cobalt(II)]","","- C6 H8 Co Na2 O10 -","- C6 H8 Co Na2 O10 -","- C24 H32 Co4 Na8 O40 -","4","0.5","SA2007","Da-Qi Wang","Poly[diaqua-di-μ-malonato-cobalt(II)disodium(I)]","Acta Crystallographica Section E","2006","62","7","m1530","m1532","10.1107/S1600536806021416","","","0.71073","MoKα","","0.0464","0.0276","","","0.0752","0.0913","","","","","","1.001","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209644","10.093","0.002","8.808","0.0019","35.159","0.008","90","","90","","90","","3125.6","1.2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[N-methyl-N-(4-chlorophenyl)amino]methylferrocene","","- C18 H18 Cl Fe N -","- C18 H18 Cl Fe N -","- C144 H144 Cl8 Fe8 N8 -","8","1","SA2008","Wang, Hong-Xing; Gao, Ren-Qing; Wu, Hong-Fei; Geng, Feng-Ying; Yang, Xiao-Li","{[<i>N</i>-(4-Chlorophenyl)-<i>N</i>-methylamino]methyl}ferrocene","Acta Crystallographica Section E","2006","62","7","m1494","m1495","10.1107/S1600536806021155","","","0.71073","MoKα","","0.084","0.0471","","","0.1199","0.1471","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209645","11.354","0.002","10.562","0.002","9.868","0.002","90","","112.22","0.03","90","","1095.5","0.4","100","","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(4-Methoxyphenyl)-1H-benzimidazole","2-(4-Methoxyphenyl)-1H-benzimidazole","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","SA2009","Moreno-Diaz, Hermenegilda; Navarrete-Vázquez, Gabriel; Estrada-Soto, Samuel; Tlahuext, Hugo","2-(4-Methoxyphenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2006","62","7","o2601","o2602","10.1107/S1600536806020435","","","0.71073","MoKα","","0.0549","0.0492","","","0.1134","0.1169","","","","","","1.138","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209647","11.9925","0.0003","11.3864","0.0003","16.6542","0.0005","90","","97.673","0.001","90","","2253.79","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Hg N2 -","- C28 H24 Hg N2 -","- C112 H96 Hg4 N8 -","4","1","SG2029","Flower, Kevin R.; Pritchard, Robin G.","Bis[2-(2-methylphenylimino)phenyl]mercury(II)","Acta Crystallographica Section E","2006","62","7","m1467","m1468","10.1107/S1600536806020149","","","0.71073","MoKα","","0.0947","0.0495","","","0.0787","0.0921","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209648","12.585","0.003","8.2963","0.0017","13.244","0.003","90","","101.58","0.03","90","","1354.6","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[2-(2-isopropylphenylimino)phenyl]mercury(I)","","- C32 H32 Hg N2 -","- C32 H32 Hg N2 -","- C64 H64 Hg2 N4 -","2","0.5","SG2030","Flower, Kevin R.; Pritchard, Robin G.","Bis[2-(2-isopropylphenylimino)phenyl]mercury(II)","Acta Crystallographica Section E","2006","62","7","m1469","m1470","10.1107/S1600536806020150","","","0.71073","MoKα","","0.0357","0.0228","","","0.0523","0.0582","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209649","16.7367","0.0005","11.3713","0.0002","19.9214","0.0005","90","","90","","90","","3791.4","0.16","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","dichlorotris(pentafluorophenyl)phosphorane","","- C18 Cl2 F15 P -","- C18 Cl2 F15 P -","- C144 Cl16 F120 P8 -","8","1","SG2035","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.","An orthorhombic polymorph of dichlorotris(pentafluorophenyl)phosphorane","Acta Crystallographica Section E","2006","62","7","o2872","o2874","10.1107/S1600536806021751","","","0.71073","MoKα","","0.0593","0.0388","","","0.09","0.101","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209650","23.158","0.011","9.399","0.003","16.802","0.005","90","","99.416","0.002","90","","3608","2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4-hydroxybenzoato-κO)bis(1,10-phenanthroline-κ^2^N,N')cadmium(II) dihydrate","","- C38 H30 Cd N4 O8 -","- C38 H30 Cd N4 O8 -","- C152 H120 Cd4 N16 O32 -","4","0.5","SG2036","Tian-Tian Pan; Jia-Geng Liu; Duan-Jun Xu","Bis(4-hydroxybenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) dihydrate","Acta Crystallographica Section E","2006","62","7","m1597","m1599","10.1107/S1600536806021787","","","0.71073","MoKα","","0.037","0.033","","","0.105","0.108","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209651","12.7494","0.0008","13.104","0.0008","17.4594","0.0011","73.325","0.005","82.552","0.005","89.157","0.005","2769.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","{5-[4'-(2,2,5,5-Tetramethyl-3-pyrroline-1-oxyl-3-carbonyl)biphenyl-4-ylethynyl]- 2,3,7,8,12,13,17,18-octaethylporphyrinato}copper(II) benzene solvate","","- C65 H70 Cu N5 O3 -","- C65 H70 Cu N5 O3 -","- C130 H140 Cu2 N10 O6 -","2","1","SG2037","Bolte, Michael","{5-[4'-(2,2,5,5-Tetramethyl-3-pyrroline-1-oxyl-3-carbonyl)biphenyl-4-ylethynyl]-2,3,7,8,12,13,17,18-octaethylporphyrinato}copper(II) benzene solvate","Acta Crystallographica Section E","2006","62","7","m1609","m1610","10.1107/S1600536806022987","","","0.71073","MoKα","","0.0776","0.0512","","","0.1093","0.1188","","","","","","0.998","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209652","5.8024","0.0009","10.8867","0.0017","12.5346","0.0019","93.98","0.003","90.847","0.003","100.955","0.003","775.2","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Dimethyl-2,2'-(N-methyliminodimethylene)diphenol","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","SG2038","Ming-Hu Wu; Wen-Ju Liu; Wei-Dong Zou; Hai-Yan Wang","4,4'-Dimethyl-2,2'-(<i>N</i>-methyliminodimethylene)diphenol","Acta Crystallographica Section E","2006","62","7","o2949","o2950","10.1107/S1600536806022999","","","0.71073","MoKα","","0.0751","0.055","","","0.1458","0.1591","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209653","11.2492","0.0009","10.881","0.0009","12.4813","0.001","90","","93.218","0.001","90","","1525.3","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","mer-Bis(diethylenetriamine)zinc(II) dichloride","","- C8 H26 Cl2 N6 Zn -","- C8 H26 Cl2 N6 Zn -","- C32 H104 Cl8 N24 Zn4 -","4","1","SJ2062","Butcher, Ray J.; Muratore, Nicole; Purdy, Andrew P.","<i>mer</i>-Bis(diethylenetriamine)zinc(II) dichloride","Acta Crystallographica Section E","2006","62","7","m1562","m1564","10.1107/S1600536806019581","","","0.71073","MoKα","","0.0254","0.0223","","","0.0558","0.057","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209654","6.9983","0.0012","8.0652","0.0014","23.898","0.004","90","","90","","90","","1348.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(ethylammonium) tartrate monohydrate","","- C8 H22 N2 O7 -","- C8 H22 N2 O7 -","- C32 H88 N8 O28 -","4","1","SJ2063","Wang, Zi-Liang; Wei, Lin-Heng; Li, Ming-Xue; Wang, Jing-Ping","Bis(ethylammonium) (‒)-(2<i>S</i>,3<i>S</i>)-tartrate monohydrate","Acta Crystallographica Section E","2006","62","7","o2691","o2693","10.1107/S1600536806018435","","","0.71073","MoKα","","0.0464","0.0443","","","0.1071","0.1089","","","","","","1.074","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209655","12.873","0.007","16.835","0.008","12.035","0.008","90","","90","","90","","2608","3","293","2","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(2-aminopyridinium) sulfate","","- C10 H14 N4 O4 S -","- C10 H14 N4 O4 S -","- C80 H112 N32 O32 S8 -","8","0.5","SJ2069","Samuel Robinson Jebas.; Thailampillai Balasubramanian; Rene Peschar; Jan Fraanje","Bis(2-aminopyridinium) sulfate","Acta Crystallographica Section E","2006","62","7","o2606","o2607","10.1107/S1600536806019593","","","1.5418","CuKα","","","0.031","","","","0.0855","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209656","8.7347","0.0006","15.2145","0.001","26.9055","0.0019","90","","90","","90","","3575.6","0.4","173","1","173","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","(Λ)-[(R,R)-2,6-Bis-(2-phenyl-4,5-dihydro-oxazol-4-ylmethoxymethyl)- pyridine]zinc(II) trifluoromethanesulfonate dichloromethane solvate","","- C30 H29 Cl2 F6 N3 O10 S2 Zn -","- C30 H29 Cl2 F6 N3 O10 S2 Zn -","- C120 H116 Cl8 F24 N12 O40 S8 Zn4 -","4","1","SJ2075","Seitz, Michael; Zabel, Manfred; Reiser, Oliver","(Λ)-[(<i>R</i>,<i>R</i>)-2,6-Bis(2-phenyl-4,5-dihydrooxazol-4-ylmethoxymethyl)pyridine]zinc(II) bis(trifluoromethanesulfonate) dichloromethane solvate","Acta Crystallographica Section E","2006","62","7","m1517","m1518","10.1107/S1600536806021210","","","0.71073","MoKα","","0.0378","0.0346","","","0.0915","0.0933","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209657","11.4138","0.0009","9.5508","0.0008","13.5082","0.0011","90","","90","","90","","1472.5","0.2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-amino-1H-pyrazole- 3-carbonitrile","","- C11 H4 Cl3 F3 N4 -","- C11 H4 Cl3 F3 N4 -","- C44 H16 Cl12 F12 N16 -","4","1","SJ2080","Li, Shu-Yan; Zhong, Ping; Hu, Mao-Lin; Li, Jin-Hai","5-Amino-4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2006","62","7","o3090","o3091","10.1107/S1600536806023919","","","0.71073","MoKα","","0.0819","0.0693","","","0.165","0.1737","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209658","11.316","0.006","11.899","0.007","15.109","0.008","90","","109.088","0.009","90","","1922.6","1.8","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6-(4-Chlorophenyl)-4-(4-fluoro-3-phenoxyphenyl)-2-oxo- 1,2,3,4-tetrahydropyridine-3-carbonitrile","","- C24 H16 Cl F N2 O2 -","- C24 H16 Cl F N2 O2 -","- C96 H64 Cl4 F4 N8 O8 -","4","1","SJ2081","Chopra, Deepak; Mohan, T.P.; Vishalakshi, B","6-(4-Chlorophenyl)-4-(4-fluoro-3-phenoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carbonitrile","Acta Crystallographica Section E","2006","62","7","o2660","o2662","10.1107/S160053680601974X","","","0.71073","MoKα","","0.0632","0.0526","","","0.1162","0.1199","","","","","","1.222","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209659","10.94","0.007","12.172","0.008","15.039","0.01","93.025","0.01","108.484","0.01","112.653","0.009","1717","2","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","3-(2-Anilino-1,3-thiazol-4-yl)-2H-chromen-2-one","","- C19 H13 Br N2 O2 S -","- C19 H13 Br N2 O2 S -","- C76 H52 Br4 N8 O8 S4 -","4","2","SJ2082","Deepak Chopra; K. N. Venugopala; B. S. Jayashree; T. N. Guru Row","3-(2-Anilino-1,3-thiazol-4-yl)-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2006","62","7","o2663","o2665","10.1107/S1600536806019994","","","0.71073","MoKα","","0.0579","0.037","","","0.0839","0.0915","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209660","8.2832","0.0012","9.708","0.0014","14.872","0.002","99.3","0.002","97.076","0.002","108.921","0.002","1096.5","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 7,12-dihydro-8-iodo-6,13-dioxo-<i>cis</i>-1H,3<i>H</i>,5H,4<i>H</i>,\ 11<i>H</i>-2,4- dioxa-5a,6a,12<i>a</i>,13<i>a</i>-tetraazabenz[<i>f</i>]cycloocta[cd]azulene-\ 13<i>b</i>,13<i>c</i>-dicarboxylate","","- C21 H23 I N4 O8 -","- C21 H23 I N4 O7 -","- C42 H46 I2 N8 O14 -","2","1","SJ2083","Yunfeng Chen; Yuzhou Wang; Huizhen Guo; Yitao Li","Diethyl 7,12-dihydro-8-iodo-6,13-dioxo-<i>cis</i>-7<i>H</i>,11<i>H</i>-2,4-dioxa-5a,6a,12a,13a-tetraazabenz[<i>f</i>]cycloocta[<i>cd</i>]azulene-13b,13c-dicarboxylate","Acta Crystallographica Section E","2006","62","7","o2738","o2740","10.1107/S1600536806021143","","","0.71073","MoKα","","0.0534","0.0477","","","0.122","0.1249","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209661","7.3787","0.0011","8.5682","0.0009","12.637","0.002","90","","93.179","0.012","90","","797.71","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Pyridiniohydrazinium chloride","","- C5 H9 Cl2 N3 -","- C5 H9 Cl2 N3 -","- C20 H36 Cl8 N12 -","4","1","SJ2084","Zora, Metin; Turgut, Günseli; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","2-Pyridiniohydrazinium dichloride","Acta Crystallographica Section E","2006","62","7","o2677","o2679","10.1107/S1600536806020502","","","0.71073","MoKα","","0.0311","0.026","","","0.066","0.0679","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209662","7.1945","0.0001","15.1542","0.0002","19.6438","0.0003","90","","90.96","0.001","90","","2141.4","0.05","100","0.1","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-bromobenzenesulfonate","2-[(E)-2-(4-Methoxyphenyl)ethenyl]-1-methylquinolinium 4-bromobenzenesulfonate","","- C25 H22 Br N O4 S -","- C25 H22 Br N O4 S -","- C100 H88 Br4 N4 O16 S4 -","4","1","SJ2085","Hoong-Kun Fun; Pinanong Rodwatcharapiban; Boonwasana Jindawong; Suchada Chantrapromma","2-[(<i>E</i>)-2-(4-Methoxyphenyl)ethenyl]-1-methylquinolinium 4-bromobenzenesulfonate","Acta Crystallographica Section E","2006","62","7","o2725","o2727","10.1107/S160053680602023X","","","0.71073","MoKα","","0.0789","0.0478","","","0.0985","0.1118","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209663","14.577","0.01","9.342","0.006","14.994","0.01","90","","96.237","0.011","90","","2030","2","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-Acetyl-3-(4-chlorophenyl)-5-(4-fluoro-3-phenoxyphenyl)-1H-pyrazole","","- C23 H18 Cl F N2 O2 -","- C23 H18 Cl F N2 O2 -","- C92 H72 Cl4 F4 N8 O8 -","4","1","SJ2086","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B","1-Acetyl-3-(4-chlorophenyl)-5-(4-fluoro-3-phenoxyphenyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2006","62","7","o2770","o2772","10.1107/S1600536806020046","","","0.71073","MoKα","","0.0614","0.0461","","","0.1185","0.128","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209664","3.8479","0.0002","12.2341","0.0006","16.8454","0.0007","70.487","0.003","84.17","0.004","86.707","0.003","743.36","0.06","100","0.1","297","2","","","","","","","","4","P -1","-P 1","2","1-(2,4-Dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","1-(2,4-Dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H14 Cl2 O3 -","- C17 H14 Cl2 O3 -","- C34 H28 Cl4 O6 -","2","1","SJ2087","P. S. Patil; Mohd Mustaqim Rosli; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","1-(2,4-Dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","7","o2596","o2598","10.1107/S1600536806020034","","","0.71073","MoKα","","0.0765","0.0507","","","0.1191","0.1534","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209665","19.9027","0.0007","11.3107","0.0003","8.7157","0.0005","90","","113.994","0.003","90","","1792.48","0.14","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,9,26-Triazahexacyclo[17.6.1.1^3,7^.1^9,16^.0^10,15^.0^20,25^] pentacosa-3,5,7(26),10(15),11,13,16(27),17,19(28),20(25),21,23-dodecaene","","- C25 H19 N3 -","- C25 H19 N3 -","- C100 H76 N12 -","4","0.5","SJ2088","G. Senthil Kumar; K. Chinnakali; M. Gayatri Swaroop; P. Rajakumar; Hoong-Kun Fun","1,9,26-Triazahexacyclo[17.6.1.1^3,7^.1^9,16^.0^10,15^.0^20,25^]pentacosa-3,5,7(26),10(15),11,13,16(27),17,19(28),20(25),21,23-dodecaene","Acta Crystallographica Section E","2006","62","7","o2608","o2610","10.1107/S1600536806020514","","","0.71073","MoKα","","0.0401","0.0378","","","0.0981","0.1003","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209666","7.5517","0.0001","15.9894","0.0002","13.6914","0.0002","90","","107.491","0.001","90","","1576.76","0.04","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one‒3-(3-chloro- 4,5-dimethoxyphenyl)-1-(4-chlorophenyl)-prop-2-en-1-one (19/1)","","- C17.95 H16.85 Cl1.05 O3.95 -","- C17.95 H16.85 Cl1.05 O3.95 -","- C71.8 H67.4 Cl4.2 O15.8 -","4","1","SJ2089","Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; P. S. Patil; S. M. Dharmaprakash; Venkataraya Shettigar","A cocrystal of 1-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and 3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one (0.95:0.05)","Acta Crystallographica Section E","2006","62","7","o2611","o2613","10.1107/S1600536806020769","","","0.71073","MoKα","","0.0569","0.0432","","","0.1093","0.1175","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209667","10.917","0.003","11.53","0.003","15.079","0.005","90","","101.473","0.005","90","","1860.1","0.9","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[[[(2,2'-bipyridine-κ^2^N:N')cobalt(II)]-μ~3~-5-hydroxyisophthalato- k^4^O,O':O'':O'''] dihydrate]","","- C18 H16 Co N2 O7 -","- C18 H16 Co N2 O7 -","- C72 H64 Co4 N8 O28 -","4","1","SJ2091","Zhuo, Xin; Pan, Zhao-Rui; Wang, Zuo-Wei; Li, Yi-Zhi; Zheng, He-Gen","Poly[[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ~3~-5-hydroxyisophthalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'''] dihydrate]","Acta Crystallographica Section E","2006","62","7","m1722","m1724","10.1107/S1600536806023907","","","0.71073","MoKα","","0.0722","0.0538","","","0.1239","0.131","","","","","","1.002","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2209668","7.825","0.002","9.18","0.003","18.087","0.002","90","","98.86","0.02","90","","1283.7","0.6","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Malonato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')palladium(II)","","- C15 H10 N2 O4 Pd -","- C15 H10 N2 O4 Pd -","- C60 H40 N8 O16 Pd4 -","4","1","TK2041","Okabe, Nobuo; Muranishi, Yasunori; Odoko, Mamiko","(Malonato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II)","Acta Crystallographica Section E","2006","62","7","m1471","m1473","10.1107/S1600536806020113","","","0.7107","MoKα","","","0.026","","","","0.072","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209669","20.175","0.004","8.333","0.003","12.729","0.004","90","","100.49","0.02","90","","2104.2","1.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl (3-nitro-2-oxo-1,2-dihydropyridin-1-yl)acetate","","- C9 H10 N2 O5 -","- C9 H10 N2 O5 -","- C72 H80 N16 O40 -","8","2","TK2043","N. David Karis; Wendy A. Loughlin; Ian D. Jenkins; Peter C. Healy","Ethyl (3-nitro-2-oxo-1,2-dihydropyridin-1-yl)acetate","Acta Crystallographica Section E","2006","62","7","o2714","o2716","10.1107/S1600536806020253","","","0.71069","MoKα","","0.115","0.045","","","0.116","0.143","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209670","19.852","0.004","7.6723","0.0015","13.8","0.003","90","","121.46","0.03","90","","1792.9","0.9","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[[diaqua-μ~6~-succinato-di-μ~5~-succinato-diholmium(III)] monohydrate]","","- C12 H18 Ho2 O15 -","- C12 H18 Ho2 O15 -","- C48 H72 Ho8 O60 -","4","0.5","TK2044","Bin Yu; Wang, Xiao-Qing; Wang, Ru-Ji; Shen, Guang-Qiu; Shen, De-Zhong","Poly[[diaqua-μ~6~-succinato-di-μ~5~-succinato-diholmium(III)] monohydrate]","Acta Crystallographica Section E","2006","62","7","m1620","m1622","10.1107/S1600536806023063","","","0.71073","MoKα","","0.0205","0.0199","","","0.0491","0.0494","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209671","9.758","0.001","24.091","0.002","9.851","0.001","90","","99.56","0.01","90","","2283.6","0.4","299","2","299","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","N-(5,7-Dibromo-8-quinolyl)-3,5-difluorobenzenesulfonamide","","- C21 H10 Br2 F4 N2 O4 S2 -","- C21 H10 Br2 F4 N2 O4 S2 -","- C84 H40 Br8 F16 N8 O16 S8 -","4","1","TK2045","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","<i>N</i>-(5,7-Dibromo-8-quinolyl)-3,5-difluorobenzenesulfonamide","Acta Crystallographica Section E","2006","62","7","o2630","o2631","10.1107/S1600536806020381","","","1.5418","CuKα","","0.06","0.044","","","0.114","0.122","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209672","7.566","0.006","7.766","0.009","8.582","0.008","65.57","0.04","78.95","0.04","89.14","0.04","449.4","0.8","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","Diaqua-trans-bis(2-carboxylato-4-nitropyridine-1-oxido-κ^2^O,O') manganese(II) dihydrate","","- C12 H14 Mn N4 O14 -","- C12 H14 Mn N4 O14 -","- C12 H14 Mn N4 O14 -","1","0.5","TK2046","Jing Chen; Yong Lu; Wen-Shi Wu; Jin-Cao Dai; Jian-Ming Lin","<i>trans</i>-Diaquabis(2-carboxylato-4-nitropyridine 1-oxide-κ^2^<i>O</i>^1^,<i>O</i>^2^)manganese(II) dihydrate","Acta Crystallographica Section E","2006","62","7","m1540","m1541","10.1107/S1600536806021283","","","0.71073","MoKα","","0.061","0.053","","","0.127","0.132","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209673","5.9331","0.0006","6.0141","0.0006","38.941","0.004","90","","90","","90","","1389.5","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>p</i>-Tolyl 3-amino-3-<i>N</i>,4-<i>O</i>-carbonyl-2,3,6-trideoxy-1-thio-α-L-<i>lyxo</i>-hexopyranoside","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","TK2047","Mendlik, Matthew T.; Coleman, Robert S.; Qi, Guizhong; Lowary, Todd L.; Ferguson, Michael J.","<i>p</i>-Tolyl 3-amino-3-<i>N</i>,4-<i>O</i>-carbonyl-2,3,6-trideoxy-1-thio-α-<small>L</small>-<i>lyxo</i>-hexopyranoside","Acta Crystallographica Section E","2006","62","7","o2788","o2790","10.1107/S1600536806021027","","","0.71073","MoKα","","0.034","0.031","","","0.088","0.098","","","","","","1.17","","","","has coordinates,has Fobs","218368","2020-10-21","18:00:00",""
"2209674","9.4136","0.0004","20.0628","0.001","10.9064","0.0005","90","","96.723","0.005","90","","2045.65","0.16","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-Bis{2-chloro-6-[(3-hydroxybenzyl)amino]-9-isopropylpurine- κN^7^}platinum(II) dimethylformamide disolvate","","- C36 H46 Cl4 N12 O4 Pt -","- C36 H46 Cl4 N12 O4 Pt -","- C72 H92 Cl8 N24 O8 Pt2 -","2","0.5","TK2048","Trávníček, Zdeněk; Marek, Jaromír; Szüčová, Lucie","<i>trans</i>-Bis{2-chloro-6-[(3-hydroxybenzyl)amino]-9-isopropylpurine-κ<i>N</i>^7^}platinum(II) dimethylformamide disolvate","Acta Crystallographica Section E","2006","62","7","m1482","m1484","10.1107/S1600536806020241","","","0.71073","MoKα","","0.037","0.034","","","0.077","0.086","","","","","","1.28","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209675","13.5862","0.0006","7.302","0.0003","14.3462","0.0007","90","","114.709","0.002","90","","1292.93","0.1","150","1","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ethyl 3,6-diacetoxy-11-[1-(4- nitrobenzoyloxy)ethyl]tetracyclo[6.4.1.0^2,7^.0^9,12^]trideca-2,4,6,10- tetraene-10-carboxylate","","- C29 H27 N O10 -","- C29 H27 N O10 -","- C58 H54 N2 O20 -","2","1","TK2050","Lough, Alan J.; Villeneuve, Karine; Tam, William","Absolute configuration of the <i>p</i>-nitrobenzoate ester of the cycloadduct of (<i>S</i>)-4-hydroxy-2-pentynoate and acetic acid 8-acetoxy-1,4-dihydro-1,4-methanonapththalen-5-yl ester","Acta Crystallographica Section E","2006","62","7","o2846","o2847","10.1107/S1600536806022021","","","0.71073","MoKα","","0.083","0.045","","","0.099","0.125","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209676","6.132","0.0007","8.4685","0.0009","12.6187","0.0014","77.264","0.002","81.53","0.002","87.878","0.002","632.17","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Pentacarbonyl[methyl(n-propylsulfanyl)carbene]chromium(0)","","- C10 H10 Cr O5 S -","- C10 H10 Cr O5 S -","- C20 H20 Cr2 O10 S2 -","2","1","TK2051","Esterhuysen, Catharine; Evans, Julia; Esterhuysen, Matthias W.; Horvath, Ulrike E. I.; Stander, Elzet; Raubenheimer, Helgard G.","Pentacarbonyl[methyl(<i>n</i>-propylsulfanyl)carbene]chromium(0)","Acta Crystallographica Section E","2006","62","7","m1625","m1626","10.1107/S1600536806022902","","","0.71073","MoKα","","0.035","0.032","","","0.075","0.077","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209677","15.318","0.003","16.453","0.003","18.66","0.004","90","","109.78","0.03","90","","4425.4","1.7","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis[[4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)phenol- κ^2^N^7^,N^8^]manganese(II)]-di-μ~3~-benzene-1,3-dicarboxylato- κ^4^O:O':O'',O''']","","- C27 H16 Mn N4 O5 -","- C27 H16 Mn N4 O5 -","- C216 H128 Mn8 N32 O40 -","8","1","TK2053","Guang-Bo Che","Poly[bis[[4-(1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)phenol-κ^2^<i>N</i>^7^,<i>N</i>^8^]manganese(II)]-di-μ~3~-benzene-1,3-dicarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section E","2006","62","7","m1686","m1688","10.1107/S160053680602424X","","","0.71073","MoKα","","0.127","0.063","","","0.123","0.144","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209678","8.8085","0.001","9.5503","0.0011","22.037","0.003","90","","97.269","0.002","90","","1838.9","0.4","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Diethylamino-6-ethyl-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one","","- C19 H23 N3 O S -","- C19 H23 N3 O S -","- C76 H92 N12 O4 S4 -","4","1","WK2013","Zheng-Dong Fang; Ming-Wu Ding","2-Diethylamino-6-ethyl-6-methyl-3-phenylthieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2862","o2863","10.1107/S1600536806021799","","","0.71073","MoKα","","0.0752","0.0535","","","0.1257","0.1365","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209679","10.2674","0.0004","10.2674","0.0004","10.2674","0.0004","90","","90","","90","","1082.38","0.07","296","2","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Dirubidium titanium yttrium tris(phosphate)","","- O12 P3 Rb2 Ti Y -","- O12 P3 Rb2 Ti Y -","- O48 P12 Rb8 Ti4 Y4 -","4","0.333333","WM2016","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson","The langbeinite type Rb~2~TiY(PO~4~)~3~","Acta Crystallographica Section E","2006","62","7","i160","i162","10.1107/S1600536806021635","","","0.71073","MoKα","","","0.0329","","","","0.0787","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209680","5.6971","0.0003","16.9333","0.0012","9.8658","0.0008","90","","94.9","0.006","90","","948.28","0.11","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","manganese octamolybdenum undecaoxide","","- Mn1.44 Mo8 O11 -","- Mn1.44 Mo8 O11 -","- Mn5.76 Mo32 O44 -","4","1","WM2018","Gall, P.; Gougeon, P.","Redetermination of Mn~1.44~Mo~8~O~11~: evidence of pairwise distortion of octahedral molybdenum chains","Acta Crystallographica, Section E","2006","62","7","m155","m157","10.1107/S1600536806023038","","","0.71069","MoKα","","0.0625","0.0331","","","0.0658","0.0759","","","","","","1.057","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209681","4.1041","0.0005","4.1041","0.0005","21.872","0.004","90","","90","","120","","319.05","0.08","295","2","295","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","Thallium bismuth disulfide","thallium bismuth disulfide","","- Bi S2 Tl -","- Bi S2 Tl -","- Bi3 S6 Tl3 -","3","0.0833333","WM2019","Christoph L. Teske; Wolfgang Bensch","TlBiS~2~","Acta Crystallographica Section E","2006","62","7","i163","i165","10.1107/S1600536806023646","","","0.71073","MoKα","","0.054","0.0493","","","0.1254","0.1302","","","","","","1.087","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209682","6.5485","0.0003","6.8987","0.0002","16.2022","0.0007","90","","90","","90","","731.95","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","aqua(hydrogen trioxoselenato)(trioxoselenato)yttrium(III) monohydrate","","- H5 O8 Se2 Y -","- H5 O8 Se2 Y -","- H20 O32 Se8 Y4 -","4","1","WM2020","Harrison, William T. A.","[Y(HSeO~3~)(SeO~3~)(H~2~O)]·H~2~O","Acta Crystallographica Section E","2006","62","7","i152","i154","10.1107/S1600536806023051","","","0.71073","MoKα","","0.0349","0.0287","","","0.0513","0.0529","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209683","11.941","0.003","25.588","0.006","13.78","0.003","90","","100.508","0.004","90","","4139.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1-(4-chlorobenzoyl)ethyl 2,4-dichlorobenzoate","","- C22 H14 Cl3 N3 O3 -","- C22 H14 Cl3 N3 O3 -","- C176 H112 Cl24 N24 O24 -","8","2","WN2029","Jun Wan; Xue-Mei Li; Zheng-Zhong Peng; Ping-Kai Ouyang; Shu-Sheng Zhang","2-(1<i>H</i>-1,2,3-Benzotriazol-1-ylmethyl)-1-(4-chlorobenzoyl)ethyl 2,4-dichlorobenzoate","Acta Crystallographica Section E","2006","62","7","o2793","o2794","10.1107/S1600536806020174","","","0.71073","MoKα","","0.1474","0.0645","","","0.12","0.15","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209684","4.952","0.0002","11.3145","0.0006","12.7326","0.0006","90","","91.142","0.003","90","","713.26","0.06","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","allo-inositol","hexahydroxycyclohexane","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","WN2031","Arnaud Bonnet; William Jones; W. D. Samuel Motherwell","<i>allo</i>-Inositol","Acta Crystallographica Section E","2006","62","7","o2578","o2579","10.1107/S1600536806019817","","","0.71073","MoKα","","0.0518","0.036","","","0.0963","0.1024","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209685","13.553","0.0003","7.3761","0.0002","14.5524","0.0004","90","","90.172","0.001","90","","1454.77","0.06","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-hydroxy-1-(4-methoxyphenyl)-3-(2-nitrophenyl)propan-1-one","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C64 H60 N4 O20 -","4","1","WN2032","Qiu, Xiao-Yang; Fang, Xiao-Niu; Liu, Wei-Sheng; Zhu, Hai-Liang","3-Hydroxy-1-(4-methoxyphenyl)-3-(2-nitrophenyl)propan-1-one","Acta Crystallographica Section E","2006","62","7","o2580","o2581","10.1107/S1600536806019866","","","0.71073","MoKα","","0.0705","0.045","","","0.11","0.1253","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209686","5.9316","0.0004","11.969","0.001","13.76","0.001","112.064","0.005","97.27","0.006","96.165","0.006","885.23","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(Naphtho[2,1-<i>b</i>]furan-2-yl)(3-methyl-3-phenylcyclobutyl)methanone","","- C24 H20 O2 -","- C24 H20 O2 -","- C48 H40 O4 -","2","1","WN2033","Arıcı, Cengiz; Kırılmış, Cumhur; Koca, Murat; W. Heinemann, Frank","(3-Methyl-3-phenylcyclobutyl)(naphtho[2,1-<i>b</i>]furan-2-yl)methanone","Acta Crystallographica Section E","2006","62","7","o2783","o2784","10.1107/S1600536806021398","","","0.71073","MoKα","","0.0658","0.0435","","","0.107","0.118","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209687","7.3293","0.0015","15.793","0.003","11.571","0.002","90","","97.8","0.03","90","","1327","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Bis(2-bromophenyl)-1,3-bis(3-nitrobenzoyl)cyclobutane","","- C30 H20 Br2 N2 O6 -","- C30 H20 Br2 N2 O6 -","- C60 H40 Br4 N4 O12 -","2","0.5","WN2035","Qiu, Xiao-Yang; Zhang, Ying; Liu, Wei-Sheng; Zhu, Hai-Liang","2,4-Bis(2-bromophenyl)-1,3-bis(3-nitrobenzoyl)cyclobutane","Acta Crystallographica Section E","2006","62","7","o2675","o2676","10.1107/S1600536806020642","","","0.71073","MoKα","","0.0794","0.0377","","","0.0778","0.0908","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209688","9.9134","0.0017","19.373","0.003","12.378","0.002","90","","98.037","0.003","90","","2353.9","0.7","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Di-tert-butyl-4-{[N-(4,6-dichloro-1,3,5-triazin-2- yl)propylamino]methyl}phenol","","- C21 H30 Cl2 N4 O -","- C21 H30 Cl2 N4 O -","- C84 H120 Cl8 N16 O4 -","4","1","WN2037","Tao, Zeng; Li-Gong Chen","2,6-Di-<i>tert</i>-butyl-4-{[<i>N</i>-(4,6-dichloro-1,3,5-triazin-2-yl)propylamino]methyl}phenol","Acta Crystallographica Section E","2006","62","7","o2916","o2917","10.1107/S1600536806022689","","","0.71073","MoKα","","0.1224","0.0498","","","0.1154","0.1495","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209689","5.8391","0.0002","7.4435","0.0003","13.0358","0.0005","96.592","0.002","93.947","0.002","93.593","0.002","560.07","0.04","100","0.1","297","2","","","","","","","","4","P -1","-P 1","2","","4'-Fluorochalcone","","- C15 H11 F O -","- C15 H11 F O -","- C30 H22 F2 O2 -","2","1","WN2038","Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; P. S. Patil; S. M. Dharmaprakash","4'-Fluorochalcone","Acta Crystallographica Section E","2006","62","7","o2897","o2899","10.1107/S1600536806022677","","","0.71073","MoKα","","0.0752","0.0487","","","0.1277","0.154","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209690","25.158","0.003","7.8022","0.001","18.678","0.002","90","","119.697","0.006","90","","3184.7","0.7","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,3-diphenyl-7,8-dichloroquinoxaline","7,8-dichloro-2,3-diphenylquinoxaline","","- C20 H12 Cl2 N2 -","- C20 H12 Cl2 N2 -","- C160 H96 Cl16 N16 -","8","1","WN2040","Ricky Joseph Paul Gibson; Jorden Paul Kass; Cesar H. Zambrano; Frank R. Fronczek; Eric Efrain Dueno","7,8-Dichloro-2,3-diphenylquinoxaline","Acta Crystallographica Section E","2006","62","7","o2947","o2948","10.1107/S1600536806022835","","","0.71073","MoKα","","0.068","0.045","","","0.1","0.108","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209691","13.373","0.005","5.7653","0.0018","17.964","0.006","90","","98.653","0.005","90","","1369.2","0.8","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","(1,3;4,6-Di-O-benzylidene-2,5-dodeoxy-2,5-imino-L-iditol)-N-cinnamide","1,3:4,6-Di-O-benzylidene-2,5-dideoxy-2,5-imino-N-cinnamyl-L-iditol","","- C29 H27 N O5 -","- C29 H27 N O5 -","- C58 H54 N2 O10 -","2","1","WN2041","Yu, Chu-Yi; Fu, Ying","1,3:4,6-Di-<i>O</i>-benzylidene-<i>N</i>-cinnamyl-2,5-dideoxy-2,5-imino-<small>L</small>-iditol","Acta Crystallographica Section E","2006","62","7","o3115","o3116","10.1107/S1600536806024494","","","0.7107","MoKα","","0.0503","0.0398","","","0.0886","0.0939","","","","","","0.96","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209692","7.026","0.002","15.408","0.005","12.624","0.004","90","","96.146","0.005","90","","1358.8","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloro[2,2'-(methylenedithio)bi-1,3-thiazole-κ^2^N,N']cobalt(II)","","- C7 H6 Cl2 Co N2 S4 -","- C7 H6 Cl2 Co N2 S4 -","- C28 H24 Cl8 Co4 N8 S16 -","4","0.5","WW2001","Zhao, Wen-Tao; Liu, Hui-Min; Zhang, Wen-Qin","Dichloro[2,2'-(methylenedithio)bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>']cobalt(II)","Acta Crystallographica Section E","2006","62","7","m1579","m1581","10.1107/S1600536806022562","","","0.71073","MoKα","","0.0526","0.0362","","","0.0838","0.0899","","","","","","1.012","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209693","7.182","0.003","9.846","0.004","11.644","0.005","71.283","0.007","78.783","0.007","89.372","0.007","763.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Methylphenoxymethyl)-4-phenyl-1H-1,2,4triazole-5(4H)-thione","","- C16 H15 N3 O S -","- C16 H15 N3 O S -","- C32 H30 N6 O2 S2 -","2","1","WW2008","Liu, Hong; Zhang, You-Ming; Lin, Qi; Wei, Tai-Bao; Lu, Tong-Bu","3-(4-Methylphenoxymethyl)-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2006","62","7","o2890","o2892","10.1107/S1600536806022070","","","0.71073","MoKα","","0.0525","0.039","","","0.1018","0.1139","","","","","","1.029","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209694","9.454","0.004","14.589","0.007","14.477","0.007","90","","90.285","0.008","90","","1996.7","1.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N,N,N'-Tris(3-aminopropyl)ethylenediamine-κ^5^N]nickel bis(perchlorate)","","- C11 H29 Cl2 N5 Ni O8 -","- C11 H29 Cl2 N5 Ni O8 -","- C44 H116 Cl8 N20 Ni4 O32 -","4","1","WW2017","Xu, Tong-Tao; Xu, Xing-You; Wang, Da-Qi; Gao, Jian; Lu, Lu-De","[<i>N</i>,<i>N</i>,<i>N</i>'-Tris(3-aminopropyl)ethylenediamine-κ^5^<i>N</i>]nickel bis(perchlorate)","Acta Crystallographica Section E","2006","62","7","m1713","m1715","10.1107/S1600536806024330","","","0.71073","MoKα","","0.1944","0.0637","","","0.1066","0.1311","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209695","8.8492","0.0008","12.2399","0.0012","12.3403","0.0012","109.336","0.011","104.427","0.011","102.457","0.011","1154.6","0.3","293","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[(2,2'-bipyridine-κ^2^N,N')neodymium(III)]-μ-dichloroacetato- 1κ^2^O,O':2κO-di-μ-dichloroacetato-κ^4^O:O'-[(2,2'- bipyridine-κ^2^N,N')neodymium(III)]-di-μ-dichloroacetato-κ^4^O:O']","","- C16 H11 Cl6 N2 Nd O6 -","- C16 H11 Cl6 N2 Nd O6 -","- C32 H22 Cl12 N4 Nd2 O12 -","2","1","WW2021","Rohde, Alexander; Urland, Werner","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')neodymium(III)]-μ-dichloroacetato-1κ^2^<i>O</i>:<i>O</i>':2κ<i>O</i>-di-μ-dichloroacetato-κ^4^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","7","m1618","m1619","10.1107/S1600536806022872","","","0.71073","MoKα","","0.0415","0.0313","","","0.0713","0.0734","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209696","14.291","0.001","8.699","0.001","17.529","0.001","90","","90","","90","","2179.2","0.3","296","","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3-(2-thiazolylamino)phthalide","3-(thiazol-2-ylamino)isobenzofuran-1(3H)-one","","- C11 H8 N2 O2 S -","- C11 H8 N2 O2 S -","- C88 H64 N16 O16 S8 -","8","1","WW2023","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(Thiazol-2-ylamino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2866","o2868","10.1107/S1600536806022574","","","0.71073","MoKα","","0.058","0.04","","","0.0986","0.1061","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209697","10.8202","0.0007","9.8139","0.0004","15.1475","0.001","90","","123.588","0.004","90","","1339.93","0.15","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(2-hydroxy-4-nitroanilino)phthalide","3-[(2-Hydroxy-5-nitrophenyl)amino]-2-benzofuran-1(3H)-one monohydrate","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","WW2024","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-[(2-Hydroxy-5-nitrophenyl)amino]-2-benzofuran-1(3<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2006","62","7","o3042","o3043","10.1107/S1600536806023956","","","0.71073","MoKα","","0.0529","0.0416","","","0.1088","0.1145","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209698","14.1207","0.0004","7.7519","0.0004","12.6348","0.0005","90","","116.482","0.002","90","","1237.92","0.09","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Diethylamino-2-oxo-2H-chromene-3-carboxylic acid","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","WW2025","Bardajee, Ghasem Rezanejade; Winnik, Mitchell A.; Lough, Alan J.","7-Diethylamino-2-oxo-2<i>H</i>-chromene-3-carboxylic acid","Acta Crystallographica Section E","2006","62","7","o3076","o3078","10.1107/S160053680602321X","","","0.71073","MoKα","","0.1223","0.0574","","","0.1358","0.173","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209699","7.961","0.002","17.926","0.003","10.204","0.002","90","","90.682","0.003","90","","1456.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-Chlorophenyl)diphenylamine","","- C18 H14 Cl N -","- C18 H14 Cl N -","- C72 H56 Cl4 N4 -","4","1","WW2026","Guo, Zhi-Qiang; Jin, Shuo; Liu, Bo","(4-Chlorophenyl)diphenylamine","Acta Crystallographica Section E","2006","62","7","o3054","o3055","10.1107/S1600536806023841","","","0.71073","MoKα","","0.071","0.0555","","","0.1181","0.1251","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209700","9.0249","0.0006","15.855","0.001","10.8836","0.0007","90","","90","","90","","1557.33","0.17","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","catena-Poly[(2,2'-biquinoline-κ^2^N,N')copper(I)]-μ-isothiocyanato-κ^2^N:S]","","- C19 H12 Cu N3 S -","- C19 H12 Cu N3 S -","- C76 H48 Cu4 N12 S4 -","4","0.5","WW2030","Zhou, Rui; Ng, Seik Weng","<i>catena</i>-Poly[[(2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ-isothiocyanato-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section E","2006","62","7","m1691","m1692","10.1107/S1600536806023804","","","0.71073","MoKα","","0.035","0.03","","","0.082","0.085","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209701","5.8054","0.0012","9.778","0.002","10.628","0.002","93.16","0.03","101.41","0.03","98.08","0.03","583.4","0.2","288","2","288","2","","","","","","","","5","P -1","-P 1","2","","1,10-Phenanthrolinium perchlorate","","- C12 H9 Cl N2 O4 -","- C12 H9 Cl N2 O4 -","- C24 H18 Cl2 N4 O8 -","2","1","WW6478","Shang, Run-Ling; Du, Lin; Sun, Bai-Wang","1,10-Phenanthrolinium perchlorate","Acta Crystallographica Section E","2006","62","7","o2920","o2921","10.1107/S1600536806022069","","","0.71073","MoKα","","0.0463","0.0399","","","0.1217","0.1275","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209702","9.2975","0.0019","8.6481","0.0017","25.394","0.007","90","","110.47","0.03","90","","1912.9","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-{4-[(9-ethylcarbazolyl)vinyl]phenyl}-1H-imidazole","","- C25 H21 N3 -","- C25 H21 N3 -","- C100 H84 N12 -","4","1","XU2025","Cheng, Le-Hua; Jin, Feng; Li, Lin; Tian, Yu-Peng","1-{4-[(9-Ethylcarbazolyl)vinyl]phenyl}-1<i>H</i>-imidazole","Acta Crystallographica Section E","2006","62","7","o2860","o2861","10.1107/S1600536806018769","","","0.71073","MoKα","","0.168","0.056","","","0.066","0.074","","","","","","0.912","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209703","6.868","0.0007","8.5558","0.0008","8.9769","0.0009","102.552","0.002","93.594","0.002","104.5","0.002","494.64","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquacobalt(II)]-μ-2,4-dicarboxybenzene-1,4-dicarboxylato- μ-di-4-pyridylethene]","","- C22 H18 Co N2 O10 -","- C22 H18 Co N2 O10 -","- C22 H18 Co N2 O10 -","1","0.5","XU2041","Huan-Ran Xing; Xin-Hua Li","Poly[[diaquacobalt(II)]-μ-2,5-dicarboxybenzene-1,4-dicarboxylato-μ-di-4-pyridylethene]","Acta Crystallographica Section E","2006","62","7","m1506","m1507","10.1107/S1600536806019957","","","0.71073","MoKα","","0.033","0.032","","","0.079","0.079","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209704","5.6348","0.0015","8.457","0.002","21.605","0.006","90","","94.889","0.004","90","","1025.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-carboxy-2-(pyridinium-4-yl)-1H-imidazole-5-dicarboxylate monohydrate","","- C10 H9 N3 O5 -","- C10 H9 N3 O5 -","- C40 H36 N12 O20 -","4","1","XU2042","Sun, Ting; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","The inner salt 4-carboxy-2-(pyridinium-4-yl)-1<i>H</i>-imidazole-5-carboxylate monohydrate","Acta Crystallographica Section E","2006","62","7","o2751","o2752","10.1107/S1600536806020356","","","0.71073","MoKα","","0.066","0.051","","","0.105","0.111","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209705","12.59","0.003","9.979","0.002","15.193","0.003","90","","105.29","0.03","90","","1841.2","0.7","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ethyl 5-methyl-2,2-diphenylcyclopropanespiro-3(4H)-furan-4-carboxylate","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","XU2044","Zhu, Ying-Hong; Ma, Chun-An; Xu, Ying-Hua","Ethyl 5-methyl-2,2-diphenylcyclopropanespiro-3(4<i>H</i>)-furan-4-carboxylate","Acta Crystallographica Section E","2006","62","7","o2795","o2796","10.1107/S1600536806019982","","","0.71069","MoKα","","0.071","0.051","","","0.141","0.152","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209706","9.0765","0.0011","11.0454","0.0013","12.0174","0.0014","101.01","0.002","111.271","0.002","102.04","0.002","1050","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 2-[(3-chlorophenylamino)(3-nitrophenyl)methyl]malonate","","- C20 H21 Cl N2 O6 -","- C20 H21 Cl N2 O6 -","- C40 H42 Cl2 N4 O12 -","2","1","XU2045","Shou, Wang-Ge; Yang, Yun-Yun; Zhong, Jian-Hua","Diethyl 2-[(3-chlorophenylamino)(3-nitrophenyl)methyl]malonate","Acta Crystallographica Section E","2006","62","7","o2753","o2754","10.1107/S1600536806020009","","","0.71073","MoKα","","0.08","0.064","","","0.173","0.189","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209707","36.92","0.01","7.466","0.002","10.868","0.003","90","","104.038","0.004","90","","2906.2","1.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Amino-1,2,4-triazol-3,5-di-3-benzoic acid","","- C16 H12 N4 O4 -","- C16 H12 N4 O4 -","- C128 H96 N32 O32 -","8","1","XU2046","Wang, Peng; Ma, Jian Ping; Huang, Ru-Qi; Dong, Yu-Bin","3,3'-(4-Amino-4<i>H</i>-1,2,4-triazole-3,5-diyl)dibenzoic acid","Acta Crystallographica Section E","2006","62","7","o2791","o2792","10.1107/S1600536806020952","","","0.71073","MoKα","","0.093","0.058","","","0.138","0.167","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209708","28.314","0.009","11.792","0.004","14.407","0.005","90","","117.17","0.01","90","","4279","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Hexaaquanickel(II) bis[[<i>N</i>-(2-hydroxybenzylidene)alanylglycinato]cuprate(II)] dodecahydrate","","- C24 H58 Cu2 N4 Ni O26 -","- C24 H58 Cu2 N4 Ni O26 -","- C96 H232 Cu8 N16 Ni4 O104 -","4","0.5","XU2047","Bin Xu; Yan-Yan Zhang; Wen-Long Liu; Xiao-Ya Hu","Hexaaquanickel(II) bis{[<i>N</i>-(2-hydroxybenzylidene)alanylglycinato]cuprate(II)} dodecahydrate","Acta Crystallographica Section E","2006","62","7","m1508","m1509","10.1107/S1600536806021179","","","0.71073","MoKα","","0.069","0.045","","","0.096","0.103","","","","","","0.926","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209709","7.0075","0.0016","7.6324","0.0018","14.826","0.003","96.568","0.004","91.451","0.004","114.775","0.004","712.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1-Butyl-3-(4-chlorobenzo[<i>d</i>]thiazol-2-yl)urea hydrate","","- C12 H16 Cl N3 O2 S -","- C12 H16 Cl N3 O2 S -","- C24 H32 Cl2 N6 O4 S2 -","2","1","XU2050","Ke-Jian Li; Shu-Rong Ban; Xiao-Feng Cheng; Hong-Jun Liu; Wen-Bin Chen","1-Butyl-3-(4-chloro-1,3-benzothiazol-2-yl)urea monohydrate","Acta Crystallographica Section E","2006","62","7","o2755","o2756","10.1107/S1600536806021118","","","0.71073","MoKα","","0.051","0.035","","","0.086","0.096","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209710","8.2665","0.0001","12.2138","0.0001","13.0914","0.0002","104.754","0.001","97.43","0.001","92.499","0.001","1263.42","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-5,15-bis(3-nitrophenyl)porphyrinogen dimethanol","","- C54 H74 N6 O6 -","- C54 H74 N6 O6 -","- C54 H74 N6 O6 -","1","0.5","XU2051","Boyd, Peter D. W.; Hosseini, Ali; Rickard, Clifton E. F.","2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-5,15-bis(3-nitrophenyl)porphyrinogen methanol disolvate","Acta Crystallographica Section E","2006","62","7","o2883","o2885","10.1107/S1600536806022288","","","0.71073","MoKα","","0.05","0.044","","","0.135","0.145","","","","","","0.81","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209711","14.883","0.003","22.675","0.005","11.334","0.002","90","","105.817","0.009","90","","3680.1","1.3","296","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2',7'-Di-4-pyridylspiro[cyclopropane-1,9'-fluorene] hemihydrate","","- C25 H19 N2 O0.5 -","- C25 H19 N2 O0.5 -","- C200 H152 N16 O4 -","8","2","XU2052","Wang, Zi-Xing; Lin, Hai-Yao; Lu, Ping","2',7'-Di-4-pyridylspiro[cyclopropane-1,9'-fluorene] hemihydrate","Acta Crystallographica Section E","2006","62","7","o3013","o3014","10.1107/S1600536806021842","","","0.71075","MoKα","","","0.04","","","","0.072","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209712","8.9652","0.0018","9.5699","0.0019","11.7","0.002","90.67","0.03","95.82","0.03","113.71","0.03","912.8","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Sebacic acid‒4,4'-bipyridine (1/1)","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C40 H52 N4 O8 -","2","1","XU2053","Yu, Bin; Wang, Xiao-Qing; Wang, Ru-Ji; Shen, Guang-Qiu; Shen, De-Zhong","A 1:1 cocrystal of sebacic acid and 4,4'-bipyridine","Acta Crystallographica Section E","2006","62","7","o2757","o2758","10.1107/S1600536806021192","","","0.71073","MoKα","","0.064","0.046","","","0.125","0.132","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209713","11.1785","0.0018","16.082","0.003","17.555","0.003","90","","97.928","0.003","90","","3125.7","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{2-[1-(benzylimino)ethyl]-5-methoxyphenol}dichlorozinc(II)","","- C32 H34 Cl2 N2 O4 Zn -","- C32 H34 Cl2 N2 O4 Zn -","- C128 H136 Cl8 N8 O16 Zn4 -","4","1","XU2055","Xing-You Xu; Tong-Tao Xu; Shuai-Shuai Ni; Jian Gao; Da-Qi Wang","Bis{2-[1-(benzylimino)ethyl]-5-methoxyphenol}dichlorozinc(II)","Acta Crystallographica Section E","2006","62","7","m1548","m1549","10.1107/S1600536806021829","","","0.71073","MoKα","","0.093","0.042","","","0.091","0.119","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209714","7.771","0.004","10.464","0.007","12.063","0.005","88.23","0.02","72.106","0.017","84.8","0.02","929.6","0.9","298","1","","","","","","","","","","7","P -1","-P 1","2","","3,5-Dichloro-6-morpholinopyridin-2-yl diethyl thiophosphate","","- C13 H19 Cl2 N2 O4 P S -","- C13 H19 Cl2 N2 O4 P S -","- C26 H38 Cl4 N4 O8 P2 S2 -","2","1","XU2062","Hui Zheng; Yun-Kui Liu; Dan-Qian Xu; Zhen-Yuan Xu","3,5-Dichloro-6-morpholinopyridin-2-yl diethyl thiophosphate","Acta Crystallographica Section E","2006","62","7","o3101","o3102","10.1107/S1600536806024366","","","0.71075","MoKα","","","0.039","","","","0.113","","","","","","1.003","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209715","9.021","0.005","13.397","0.005","16.684","0.005","89.956","0.005","82.946","0.005","74.74","0.005","1929.5","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","{μ-2-[1-(N,N-Dimethylamino)ethyl]ferrocene-1,1'-diylbis(diphenylphosphine)- κ^2^P:P'}bis[thiocyanatogold(I)]","","- C40 H37 Au2 Fe N3 P2 S2 -","- C40 H37 Au2 Fe N3 P2 S2 -","- C80 H74 Au4 Fe2 N6 P4 S4 -","2","1","XU2066","Sam, Zolisa A.; Elmroth, Sofi K. C.; Roodt, Andreas; Muller, Alfred J.","{μ-2-[1-(<i>N</i>,<i>N</i>-Dimethylamino)ethyl]ferrocene-1,1'-diylbis(diphenylphosphine)-κ^2^<i>P</i>:<i>P</i>'}bis[thiocyanatogold(I)]","Acta Crystallographica Section E","2006","62","7","m1699","m1701","10.1107/S1600536806024354","","","0.71069","MoKα","","0.069","0.058","","","0.147","0.158","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209716","11.466","0.001","11.84","0.001","10.2335","0.0008","90","","121.865","0.001","90","","1179.9","0.17","298","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethylenediammonium thiophene-2,5-dicarboxylate dihydrate","","- C8 H16 N2 O6 S -","- C8 H16 N2 O6 S -","- C32 H64 N8 O24 S4 -","4","0.5","YA2013","Wu, Si-Min; Li, Ming; Xiang, Jiang-Feng; Yuan, Liang-Jie; Sun, Ju-Tang","Ethylenediammonium thiophene-2,5-dicarboxylate dihydrate, an acid‒base complex with a three-dimensional hydrogen-bonding system","Acta Crystallographica Section E","2006","62","7","o2951","o2952","10.1107/S1600536806022343","","","0.71073","MoKα","","0.03","0.029","","","0.082","0.084","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209717","10.2439","0.0014","7.0715","0.0009","42.491","0.006","90","","96.881","0.002","90","","3055.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Urotropine‒2,2,3,3-tetramethylcyclopropanecarboxylic acid (1/1)","","- C14 H26 N4 O2 -","- C14 H26 N4 O2 -","- C112 H208 N32 O16 -","8","1","YA2015","Hai Feng; Ya-Ping Lü; Hui-Min Zhang; Bing Tu; Zhi-Min Jin","Urotropine‒2,2,3,3-tetramethylcyclopropanecarboxylic acid (1/1)","Acta Crystallographica Section E","2006","62","7","o3122","o3123","10.1107/S1600536806024676","","","0.71073","MoKα","","0.099","0.081","","","0.192","0.209","","","","","","1.24","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209718","7.9809","0.0019","8.703","0.002","12.214","0.003","90","","99.522","0.003","90","","836.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis[2-(dimethylammonio)ethyl]oxamide dinitrate","","- C10 H24 N6 O8 -","- C10 H24 N6 O8 -","- C20 H48 N12 O16 -","2","0.5","YA2017","Wei Sun; Yan-Tuan Li; Zhi-Yong Wu; Yu-Lan Song","<i>N</i>,<i>N</i>'-Bis[2-(dimethylammonio)ethyl]oxamide dinitrate","Acta Crystallographica Section E","2006","62","7","o3023","o3025","10.1107/S1600536806023245","","","0.71073","MoKα","","0.079","0.041","","","0.091","0.11","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209719","8.159","0.005","12.612","0.008","20.486","0.012","90","","92.692","0.008","90","","2106","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Trimethylsilyl-2-methyl-1,2-bis(2,6-dimethylphenyl isonitrile)","1-Trimethylsilyl-2-methyl-1,2-bis(2,6-dimethylphenyl isonitrile)","","- C22 H30 N2 Si -","- C22 H30 N2 Si -","- C88 H120 N8 Si4 -","4","1","YM2004","D. J. Loroño-González","<i>N</i>,<i>N</i>'-Bis(2,6-dimethylphenyl)-2-methyl-1-(trimethylsilyl)ethane-1,2-diimine","Acta Crystallographica Section E","2006","62","7","o2741","o2742","10.1107/S1600536806021003","","","0.71073","MoKα","","0.2159","0.0765","","","0.1749","0.218","","","","","","0.933","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209720","13.98","0.02","13.45","0.01","17.15","0.02","90","","90","","90","","3225","6","296.1","","","","","","","","","","","6","C m c a","-C 2ac 2","64","","Chloro(N,N'-dimethyldithiocarbamato-κ^2^S,S')(1,10-phenanthroline- κ^2^N,N')copper(II)","","- C15 H14 Cl Cu N3 S2 -","- C15 H14 Cl Cu N3 S2 -","- C120 H112 Cl8 Cu8 N24 S16 -","8","","YM2006","Nobuo, Okabe; Munehiro, Tomoda; Mamiko, Odoko; Masahiro, Yodoshi","Chloro(<i>N</i>,<i>N</i>'-dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section E","2006","62","7","m1589","m1591","10.1107/S160053680602263X","","","0.7107","MoKα","","","0.026","","","","0.083","","","","","","1.127","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209721","9.96","0.005","9.985","0.005","10.255","0.005","88.312","0.005","68.129","0.005","61.045","0.005","813.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","trans-Dichlorobis[diphenyl(p-tolyl)phosphine]palladium(II)","","- C38 H34 Cl2 P2 Pd -","- C38 H34 Cl2 P2 Pd -","- C38 H34 Cl2 P2 Pd -","1","0.5","YM2009","Steyl, Gideon; Kirsten, Leo; Roodt, Andreas","<i>trans</i>-Dichlorobis[diphenyl(<i>p</i>-tolyl)phosphine]palladium(II)","Acta Crystallographica Section E","2006","62","7","m1705","m1707","10.1107/S1600536806023853","","","0.71073","MoKα","","0.0246","0.0222","","","0.0531","0.0544","","","","","","1.073","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209722","8.631","0.0002","12.4943","0.0003","11.4911","0.0004","90","","110.874","0.002","90","","1157.85","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-(p-nitrophenylsulfonyl)-1,3-thiazole","","- C9 H7 N3 O4 S2 -","- C9 H7 N3 O4 S2 -","- C36 H28 N12 O16 S8 -","4","1","YM2010","Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Nuralın, Fatma","2-Amino-5-(<i>p</i>-nitrophenylsulfonyl)-1,3-thiazole","Acta Crystallographica Section E","2006","62","7","o2634","o2636","10.1107/S1600536806020162","","","0.71073","MoKα","","0.0439","0.0405","","","0.1034","0.1055","","","","","","1.158","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209723","14.83","0.009","13.688","0.007","7.445","0.016","90","","91.724","0.002","90","","1511","3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","AT2044","Naveen, S; Kavitha, C. V.; Rangappa, K. S.; Sridhar, M. A.; Shashidhara Prasad, J.","(<i>Z</i>)-3-(3,4-Dimethoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile","Acta Crystallographica Section E","2006","62","8","o3239","o3241","10.1107/S1600536806023555","","","0.71073","MoKα","","0.0675","0.0544","","","0.1498","0.1681","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209724","6.19","0.0012","10.979","0.002","11.622","0.002","90","","104.88","0.03","90","","763.3","0.3","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","przewalskin","5,11,11-Trimethyl-16-oxatetracyclo[6.6.2.0^1,10^.0^2,7^]hexadeca-2,4,6- trien-4-ol","","- C18 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","AT2048","Ning-Bo Gong; Yang Lu; Qi-Tai Zheng; Gang Xu; Qin-Shi Zhao","5,11,11-Trimethyl-16-oxatetracyclo[6.6.2.0^1,10^.0^2,7^]hexadeca-2,4,6-trien-4-ol","Acta Crystallographica Section E","2006","62","8","o3163","o3165","10.1107/S1600536806024780","","","0.71073","MoKα","","0.084","0.0839","","","0.1551","0.1551","","","","","","1.155","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209725","12.078","0.005","6.793","0.003","17.271","0.007","90","","96.82","0.006","90","","1407","1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Benzothiazol-2(3H)-one‒1,3-benzothiazole-2(3H)-thione (1/1)","","- C14 H10 N2 O S3 -","- C14 H10 N2 O S3 -","- C56 H40 N8 O4 S12 -","4","1","AT2049","Wang, Gui-Xian; Zhang, Qi-Wei","1,3-Benzothiazol-2(3<i>H</i>)-one‒1,3-benzothiazole-2(3<i>H</i>)-thione (1/1)","Acta Crystallographica Section E","2006","62","8","o3168","o3169","10.1107/S1600536806024664","","","0.71073","MoKα","","0.0656","0.0489","","","0.1243","0.1338","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209726","16.083","0.003","10.8627","0.0017","17.099","0.003","90","","114.327","0.003","90","","2722","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-cyanobenzyl)quinolinium‒7,7,8,8-tetracyanoquinodimethane (2/3)","","- C70 H38 N16 -","- C70 H38 N16 -","- C140 H76 N32 -","2","0.5","AT2050","Wang, Peng-Fei; Liu, Guang-Xiang; Chen, You-Cun","An ion-pair complex composed of two <i>N</i>-(4-cyanobenzyl)quinolinium cations, two 7,7,8,8-tetracyanoquinodimethane anions and one neutral 7,7,8,8-tetracyanoquinodimethane molecule","Acta Crystallographica Section E","2006","62","8","o3256","o3258","10.1107/S1600536806025736","","","0.71073","MoKα","","0.0727","0.0561","","","0.1292","0.1382","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209727","10.115","0.004","10.456","0.004","11.192","0.004","98.162","0.006","95.571","0.006","116.225","0.006","1033.9","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(4Z)-4-[(4-Fluorobenzylamino)(phenyl)methylene]-3-methyl-1-phenyl- 1H-pyrazol-5(4H)-one","","- C24 H20 F N3 O -","- C24 H20 F N3 O -","- C48 H40 F2 N6 O2 -","2","1","AT2051","Hai-Zhen Xu; Xue-Kai Si; You-Quan Zhu; Hai-Bin Song","(4<i>Z</i>)-4-[(4-Fluorobenzylamino)(phenyl)methylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","8","o3266","o3268","10.1107/S1600536806025748","","","0.71073","MoKα","","0.1419","0.0565","","","0.1298","0.1682","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209728","10.038","0.002","12.396","0.003","16.853","0.003","90","","100.74","0.03","90","","2060.3","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-methyl-4-phenyl-2-(trimethylsilyloxy)-3,4-dihydro-2H,5H-pyrano [3,2-c][1]benzopyran-5-one","","- C22 H24 O4 Si -","- C22 H24 O4 Si -","- C88 H96 O16 Si4 -","4","1","AT2052","Da-Quan Peng","2-Methyl-4-phenyl-2-(trimethylsilyloxy)-3,4-dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one","Acta Crystallographica Section E","2006","62","8","o3264","o3265","10.1107/S160053680602575X","","","0.71073","MoKα","","0.113","0.0543","","","0.1281","0.1514","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209729","9.3315","0.0011","18.131","0.002","15.8484","0.0018","90","","99.092","0.002","90","","2647.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N,N,N'-Tris(3-aminopropyl)-N'-(3-ammoniopropyl)ethane-1,2-diamine]copper(II) tris(perchlorate)","","- C14 H37 Cl3 Cu N6 O12 -","- C14 H37 Cl3 Cu N6 O12 -","- C56 H148 Cl12 Cu4 N24 O48 -","4","1","AT2053","Zhang, Han-Ping; Li, Yi-Zhi; Zhou, Hong; Pan, Zhi-Quan; Wang, Cheng-Gang","[<i>N</i>,<i>N</i>,<i>N</i>'-Tris(3-aminopropyl)-<i>N</i>'-(3-ammoniopropyl)ethane-1,2-diamine]copper(II) tris(perchlorate)","Acta Crystallographica Section E","2006","62","8","m1802","m1804","10.1107/S1600536806025839","","","0.71073","MoKα","","0.0801","0.0603","","","0.1389","0.146","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209730","28.118","0.009","8.941","0.003","14.291","0.005","90","","108.047","0.005","90","","3416","2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3-Bis(4-chlorobenzyl)pyrimidine-2,4(1H,3H)-dione","","- C18 H14 Cl2 N2 O2 -","- C18 H14 Cl2 N2 O2 -","- C144 H112 Cl16 N16 O16 -","8","1","AT2054","Feng-Ling Yang; Gong-Chun Li","1,3-Bis(4-chlorobenzyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","8","o3405","o3406","10.1107/S160053680602664X","","","0.71073","MoKα","","0.0775","0.0386","","","0.0855","0.104","","","","","","0.995","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209731","5.3798","0.0012","13.659","0.003","18.153","0.004","90","","90","","90","","1333.9","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-Acetylgoniothalamin","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","AT2055","Din, Laily B.; Sulaiman, Intan. S. C.; Yamin, Bohari M.","5-Acetylgoniothalamin","Acta Crystallographica Section E","2006","62","8","o3316","o3318","10.1107/S1600536806026651","","","0.71073","MoKα","","0.064","0.048","","","0.099","0.106","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209732","7.596","0.0015","9.92","0.002","11.451","0.002","92.27","0.03","98.09","0.03","109.42","0.03","802.2","0.3","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","Diethyl pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C36 H34 N2 O8 -","2","1","AT2056","Wei Wang","Diethyl pyrrolo[2,1-<i>a</i>]isoquinoline-1,2-dicarboxylate","Acta Crystallographica Section E","2006","62","8","o3376","o3377","10.1107/S1600536806026663","","","0.71073","MoKα","","0.0759","0.0548","","","0.1384","0.149","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209733","14.2353","0.0009","22.1952","0.0014","18.3608","0.0015","90","","112.578","0.001","90","","5356.6","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(di-2-pyridylamine)copper(I) perchlorate benzene solvate","","- C26 H24 Cl Cu N6 O4 -","- C26 H24 Cl Cu N6 O4 -","- C208 H192 Cl8 Cu8 N48 O32 -","8","1","AT2057","Chen, Hua-Long; Zeng, Xi-Rui; Li, Duo-Fu; Kuang, Han-Mao; Luo, Qiu-Yan","Bis(di-2-pyridylamine)copper(I) perchlorate benzene solvate","Acta Crystallographica Section E","2006","62","8","m1914","m1915","10.1107/S160053680602784X","","","0.71073","MoKα","","0.1745","0.05","","","0.1076","0.1216","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209734","11.1447","0.0013","10.8137","0.0013","15.0625","0.0014","90","","113.306","0.007","90","","1667.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N)dinitratoiron(II)","","- C14 H14 Fe N4 O7 -","- C14 H14 Fe N4 O7 -","- C56 H56 Fe4 N16 O28 -","4","1","AT2058","Cai-Feng Ding; Yue-Qin Yu; Mei-Ling Zhang; Xue-Mei Li; Shu-Sheng Zhang","Aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')dinitratoiron(II)","Acta Crystallographica Section E","2006","62","8","m1871","m1872","10.1107/S1600536806027139","","","0.71073","MoKα","","0.0464","0.0382","","","0.1003","0.1066","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209735","13.491","0.003","7.1934","0.0014","13.025","0.003","90","","109.79","0.03","90","","1189.4","0.5","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaquabis(4,6-dioxidopyrimidin-1-ium-κN^3^)nickel(II)","","- C8 H14 N4 Ni O8 -","- C8 H14 N4 Ni O8 -","- C32 H56 N16 Ni4 O32 -","4","0.5","AT2059","Yu-Ting Wang; Xin-Hua Lou; Jian-Ge Wang; Yao-Ting Fan","Tetraaquabis(4,6-dioxidopyrimidin-1-ium-κ<i>N</i>^3^)nickel(II)","Acta Crystallographica Section E","2006","62","8","m1924","m1926","10.1107/S1600536806027243","","","0.71073","MoKα","","0.0167","0.0164","","","0.0486","0.0488","","","","","","1.117","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209736","7.719","0.0015","10.155","0.002","24.316","0.005","90","","90","","90","","1906","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-phenyl-2-(2,4,5-tricyanophenylmethyl)-1H-indene","","- C25 H15 N3 -","- C25 H15 N3 -","- C100 H60 N12 -","4","1","AT2060","Jie-Qiong Huang; Zhi-Feng Lu","3-Phenyl-2-(2,4,5-tricyanophenylmethyl)-1<i>H</i>-indene","Acta Crystallographica Section E","2006","62","8","o3403","o3404","10.1107/S1600536806027152","","","0.71073","MoKα","","0.0909","0.0459","","","0.0952","0.11","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209737","12.138","0.002","12.874","0.003","15.3","0.003","90","","90.2","0.03","90","","2390.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Butyl-2-phenyl-2-(trimethylsilyloxy)-3,4-dihydro-2H,5H- pyrano[3,2-c][1]benzopyran-5-one","","- C25 H30 O4 Si -","- C25 H30 O4 Si -","- C100 H120 O16 Si4 -","4","1","AT2061","Da-Quan Peng","4-Butyl-2-phenyl-2-(trimethylsilyloxy)-3,4-dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one","Acta Crystallographica Section E","2006","62","8","o3572","o3573","10.1107/S1600536806028686","","","0.71073","MoKα","","0.115","0.0603","","","0.1372","0.1538","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209738","7.9238","0.0008","22.405","0.002","6.9939","0.0007","90","","91.169","0.001","90","","1241.4","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Ethylenediamine-κ^2^N:N'-bis[(quinoline-2-carboxylato-κ^2^N,O)silver(I)] tetrahydrate","","- C22 H28 Ag2 N4 O8 -","- C22 H28 Ag2 N4 O8 -","- C44 H56 Ag4 N8 O16 -","2","0.5","AT2063","Yu-Ting Wang; Yu-Ling Wang; Jian-Ge Wang; Yao-Ting Fan","μ-Ethylenediamine-κ^2^<i>N</i>:<i>N</i>'-bis[(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)silver(I)] tetrahydrate","Acta Crystallographica Section E","2006","62","8","m1927","m1929","10.1107/S1600536806027255","","","0.71073","MoKα","","0.0467","0.0341","","","0.0693","0.0755","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209739","5.0776","0.0005","5.3347","0.0006","26.243","0.003","90","","91.396","0.002","90","","710.65","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(3-methoxyphenyl)oxamide","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","0.5","AT2064","Yong-Hong Wen; Kun Zhang; Xue-Mei Li; Sai Bi; Shu-Sheng Zhang","<i>N</i>,<i>N</i>'-Bis(3-methoxyphenyl)oxamide","Acta Crystallographica Section E","2006","62","8","o3443","o3444","10.1107/S1600536806027802","","","0.71073","MoKα","","0.0441","0.0378","","","0.0926","0.0979","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209740","36.196","0.003","10.1184","0.0009","20.441","0.0017","90","","108.967","0.012","90","","7080","1.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[triaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)isonicotinatozinc(II)] bis(isonicotinate) diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)bis(isonicotinato)zinc(II) tetrahydrate","","- C54 H66 N18 O24 S6 Zn3 -","- C54 H66 N18 O24 S6 Zn3 -","- C216 H264 N72 O96 S24 Zn12 -","4","0.5","AT2065","Bing-Xin Liu; Hui-Gen Yan; Duan-Jun Xu","Bis[triaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)isonicotinatozinc(II)] bis(isonicotinate) diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)bis(isonicotinato)zinc(II) tetrahydrate","Acta Crystallographica Section E","2006","62","8","m1969","m1971","10.1107/S1600536806028728","","","0.71073","MoKα","","0.049","0.038","","","0.093","0.098","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","203832","2020-10-21","18:00:00",""
"2209741","9.723","0.002","9.746","0.002","24.698","0.005","90","","95.15","0.03","90","","2330.9","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-Benzyl-5,7-bis(benzyloxy)-4H-benzopyran-4-one","","- C30 H24 O4 -","- C30 H24 O4 -","- C120 H96 O16 -","4","1","BH2025","Jia, Shu-Ping; Guo, Zong-Hui; Hao, Zhi-Fang; Xu, Qiang; Li, Jian-Xin","8-Benzyl-5,7-bis(benzyloxy)-4<i>H</i>-benzopyran-4-one","Acta Crystallographica Section E","2006","62","8","o3448","o3449","10.1107/S1600536806024275","","","0.71073","MoKα","","0.1457","0.0618","","","0.1188","0.1526","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209742","6.7916","0.001","12.694","0.009","15.93","0.007","90","","90","","90","","1373.4","1.2","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ethylenediammonium fluorotrioxophosphate","","- C2 H10 F N2 O3 P -","- C2 H10 F N2 O3 P -","- C16 H80 F8 N16 O24 P8 -","8","1","BH2026","Fábry, Jan; Dušek, Michal; Krupková, Radmila; Vaněk, Přemysl","Ethylenediammonium fluorotrioxophosphate at 150 K","Acta Crystallographica Section E","2006","62","8","o3217","o3219","10.1107/S1600536806025396","","","0.71069","MoKα","","0.0312","0.0246","","","0.0746","0.0758","","","","","","1.41","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209743","7.1981","0.0019","10.092","0.003","19.372","0.005","90","","95.826","0.005","90","","1400","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3-Methylbenzoyl)-3-(6-methyl-2-pyridyl)thiourea","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C60 H60 N12 O4 S4 -","4","1","BH2029","Yusof, M. Sukeri M.; Tajuddin, Nazrizawati A.; Yamin, Bohari M.","1-(3-Methylbenzoyl)-3-(6-methyl-2-pyridyl)thiourea","Acta Crystallographica Section E","2006","62","8","o3242","o3244","10.1107/S1600536806025414","","","0.71073","MoKα","","0.057","0.045","","","0.124","0.132","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209744","7.4215","0.0006","9.5775","0.0006","9.7259","0.0005","94.83","0.004","94.467","0.005","110.874","0.006","639.31","0.08","102","0.1","102","0.1","","","","","","","","4","P -1","-P 1","2","","Ethylammonium 2,4,5-tricarboxybenzoate","","- C12 H13 N O8 -","- C12 H13 N O8 -","- C24 H26 N2 O16 -","2","1","BH2030","Ejsmont, Krzysztof; Zaleski, Jacek","Ethylammonium 2,4,5-tricarboxybenzoate","Acta Crystallographica Section E","2006","62","8","o3386","o3388","10.1107/S1600536806026948","","","0.71073","MoKα","","0.0313","0.0282","","","0.0832","0.0851","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209745","31.341","0.007","8.569","0.0019","11.287","0.003","90","","107.411","0.004","90","","2892.4","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-Diaquabis(5,5-diphenylhydantoinato-κN^3^)copper(II)","","- C30 H26 Cu N4 O6 -","- C30 H26 Cu N4 O6 -","- C120 H104 Cu4 N16 O24 -","4","0.5","BH2031","Hu, Xi-Lan; Xu, Xing-You; Wang, Da-Qi; Xu, Tong-Tao","<i>trans</i>-Diaquabis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)copper(II)","Acta Crystallographica Section E","2006","62","8","m1922","m1923","10.1107/S1600536806027735","","","0.71073","MoKα","","0.0728","0.0497","","","0.1221","0.1362","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209746","14.4739","0.0011","7.6406","0.0006","18.923","0.0015","90","","107.413","0.001","90","","1996.8","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[cis-diaqua(1,10-phenanthroline-κ^2^N,N')manganese(II)]-μ~2~- 3-sulfonatobenzoato-κ^2^O:O'] 0.32-hydrate]","","- C19 H16.64 Mn N2 O7.32 S -","- C19 H16.64 Mn N2 O7.32 S -","- C76 H66.56 Mn4 N8 O29.28 S4 -","4","1","BH2034","Yang, Teng-Jiao; Xiao, Hong-Ping; Zhu, Long-Guan","<i>catena</i>-Poly[[[<i>cis</i>-diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ~2~-3-sulfonatobenzoato-κ^2^<i>O</i>:<i>O</i>'] 0.32-hydrate]","Acta Crystallographica Section E","2006","62","8","m1904","m1905","10.1107/S1600536806027760","","","0.71073","MoKα","","0.0585","0.0518","","","0.1207","0.1254","","","","","","0.992","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209747","5.996","0.005","14.786","0.005","20.531","0.005","90","","90","","90","","1820.2","1.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-{4-[(2-Phenyl-1H-indol-3-yl)diazenyl]phenyl}acetamide","","- C22 H18 N4 O -","- C22 H18 N4 O -","- C88 H72 N16 O4 -","4","1","BH2035","Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Ertan, Nermin","<i>N</i>-{4-[(2-Phenyl-1<i>H</i>-indol-3-yl)diazenyl]phenyl}acetamide","Acta Crystallographica Section E","2006","62","8","o3492","o3494","10.1107/S1600536806028133","","","0.71073","MoKα","","0.1329","0.0774","","","0.137","0.1561","","","","","","1.171","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209748","13.3482","0.0009","7.6922","0.0005","25.3822","0.0017","90","","90","","90","","2606.2","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","1","BI2018","Qiu, Xiao-Yang; Liu, Wei-Sheng; Zhu, Hai-Liang; Sheng, Liang-Quan","(E)-3-(4-Hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","8","o3324","o3325","10.1107/S1600536806022926","","","0.71073","MoKα","","0.1235","0.0528","","","0.1119","0.1388","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209749","14.746","0.003","9.365","0.002","19.898","0.004","90","","102.692","0.004","90","","2680.7","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 N2 Ni O2 S10 -","- C22 H13 N2 Ni O2 S10 -","- C88 H52 N8 Ni4 O8 S40 -","4","1","BI2024","Jianding Li; Li Yao; Yang Su; Ruojie Tao","<i>N</i>-(4-Nitrobenzyl)isoquinolinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","Acta Crystallographica Section E","2006","62","8","m1990","m1991","10.1107/S1600536806026286","","","0.71073","MoKα","","0.0497","0.0352","","","0.0711","0.0753","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209750","8.4692","0.0019","10.889","0.003","9.69","0.002","90","","92.514","0.004","90","","892.8","0.4","166","1","166","1","","","","","","","","6","P 1 n 1","P -2yac","7","Dimethoxyphosphinoyl phenyl ketone <i>p</i>-tolylsulfonylhydrazone","","","- C16 H19 N2 O5 P S -","- C16 H19 N2 O5 P S -","- C32 H38 N4 O10 P2 S2 -","2","1","BI2025","Demoin, Dustin Wayne; Pluth, Michael; Soo, Han Sen; Xu, Yue","Dimethoxyphosphinoyl phenyl ketone <i>p</i>-tolylsulfonylhydrazone","Acta Crystallographica Section E","2006","62","8","o3551","o3552","10.1107/S1600536806025451","","","0.71073","MoKα","","0.0515","0.0399","","","0.0901","0.094","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209751","10.503","0.003","10.503","0.003","4.006","0.003","90","","90","","120","","382.7","0.3","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","Samarium(III) formate","poly[samarium(III)-tri-μ-formato]","","- C3 H3 O6 Sm -","- C3 H3 O6 Sm -","- C9 H9 O18 Sm3 -","3","0.166667","BI2026","Yan Xu; Shao-Hua Ding; Guang-Peng Zhou; Yu-Guo Liu","Samarium(III) formate","Acta Crystallographica Section E","2006","62","8","m1749","m1750","10.1107/S1600536806025608","","","0.71073","MoKα","","0.0274","0.0274","","","0.0606","0.0606","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209752","11.9077","0.0007","9.1237","0.0005","12.6554","0.0007","90","","113.086","0.001","90","","1264.8","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3-Amino-4-chlorobenzoato)trimethyltin(IV)","","- C10 H14 Cl N O2 Sn -","- C10 H14 Cl N O2 Sn -","- C40 H56 Cl4 N4 O8 Sn4 -","4","1","BI2027","Aziz-ur-Rehman; Ali, Saqib; Helliwell, Madeleine; Shahzadi, Saira","(3-Amino-4-chlorobenzoato)trimethyltin(IV)","Acta Crystallographica Section E","2006","62","8","m1778","m1779","10.1107/S1600536806025517","","","0.71073","MoKα","","0.0156","0.015","","","0.0376","0.0379","","","","","","1.107","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209753","3.9494","0.0008","23.305","0.005","13.388","0.003","90","","96.96","0.03","90","","1223.2","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-1-(4-Chlorophenyl)-3-(4-fluorophenyl)prop-2-en-1-one","","- C15 H10 Cl F O -","- C15 H10 Cl F O -","- C60 H40 Cl4 F4 O4 -","4","1","BI2041","Qiu, Xiao-Yang; Luo, Zhi-Gang; Yang, Sen-Lin; Liu, Wei-Sheng","(<i>E</i>)-1-(4-Chlorophenyl)-3-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","8","o3525","o3526","10.1107/S1600536806028182","","","0.71073","MoKα","","0.149","0.0872","","","0.2388","0.2832","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209754","6.6577","0.0011","9.2835","0.0015","12.1075","0.0019","90","","99.834","0.002","90","","737.3","0.2","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5,5-Dimethyl-2-(naphthalen-1-yloxy)-1,3,2-dioxaphosphinane 2-oxide","","- C15 H17 O4 P -","- C15 H17 O4 P -","- C30 H34 O8 P2 -","2","1","BI2042","Li, Zheng-Qiu; Sheng, Xi-Jun; Zuo, Na; Ren, Qing-Yun; He, Hong-Wu","5,5-Dimethyl-2-(naphthalen-1-yloxy)-1,3,2-dioxaphosphinane 2-oxide","Acta Crystallographica Section E","2006","62","8","o3501","o3502","10.1107/S1600536806028431","","","0.71073","MoKα","","0.0516","0.048","","","0.113","0.1156","","","","","","1.116","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209755","11.6882","0.0005","14.5158","0.0006","12.7477","0.0006","90","","114.124","0.001","90","","1973.93","0.15","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquadi-μ-chloro-bis(diethylenetriamine)dicopper(II) dichloride","","- C8 H28 Cl4 Cu2 N6 O -","- C8 H28 Cl4 Cu2 N6 O -","- C32 H112 Cl16 Cu8 N24 O4 -","4","1","BM3013","Gernon, Tammy L.; Creaven, Bernadette S.; McGinley, John; Bond, Andrew D.","Aquadi-μ-chloro-bis(diethylenetriamine)dicopper(II) dichloride: a redetermination at 180 K","Acta Crystallographica Section E","2006","62","8","m1958","m1960","10.1107/S1600536806028212","","","0.71073","MoKα","","0.0233","0.0196","","","0.0519","0.0537","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209756","6.049","0.002","10.142","0.004","11.047","0.004","92.547","0.006","96.063","0.006","101.286","0.006","659.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Pyrazine-2-carboxylic acid (4-dimethylaminobenzylidene)hydrazide","","- C14 H15 N5 O -","- C14 H15 N5 O -","- C28 H30 N10 O2 -","2","1","BT2110","Xue-Fang Shi; Cui-Cui Yuan","2'-(4-Dimethylaminobenzylidene)pyrazine-2-carbohydrazide","Acta Crystallographica Section E","2006","62","8","o3290","o3291","10.1107/S1600536806026274","","","0.71073","MoKα","","0.0811","0.0456","","","0.1106","0.1334","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209757","10.56","0.002","11.408","0.003","11.843","0.003","90","","91.376","0.003","90","","1426.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-1H-imidazolyl)-1H-imidazolium chloride 4-aminobenzoic acid solvate","","- C13 H14 Cl N5 O2 -","- C13 H14 Cl N5 O2 -","- C52 H56 Cl4 N20 O8 -","4","1","BT2117","Li, Yan-Ping; Yang, Pin","Cocrystal of 2-(1<i>H</i>-imidazol-2-yl)-1<i>H</i>-imidazolium chloride and 4-aminobenzoic acid","Acta Crystallographica Section E","2006","62","8","o3223","o3224","10.1107/S1600536806025773","","","0.71073","MoKα","","0.0516","0.0426","","","0.1003","0.1044","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209758","9.91","0.002","19.443","0.003","8.557","0.002","90","","112.8","0.01","90","","1519.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rel-(1R,4R,9R)-1-Acetyl-9-(1-pyrrolidinyl)-1,4-dihydro-1,4-ethanonaphthalene- 9-carbonitrile","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C76 H80 N8 O4 -","4","1","BT2123","Döpp, Dietrich; Kruse, Claudia; Flörke, Ulrich; Henkel, Gerald","<i>rel</i>-(1<i>R</i>,4<i>R</i>,9<i>R</i>)-1-Acetyl-9-(1-pyrrolidinyl)-1,4-dihydro-1,4-ethanonaphthalene-9-carbonitrile: the major [4+2]-photocycloadduct of 1-acetonaphthone with 2-(1-pyrrolidinyl)propenenitrile","Acta Crystallographica Section E","2006","62","8","o3245","o3246","10.1107/S1600536806025876","","","0.71073","MoKα,rotatinganode","","0.0415","0.0365","","","0.0917","0.0952","","","","","","1.061","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209759","8.6855","0.0007","7.6735","0.0005","18.5577","0.0015","90","","97.124","0.007","90","","1227.29","0.16","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(2-Hydroxy-3-methoxybenzylidene)-2,3,4,6-tetra-O-acetyl-β-D- galactopyranosylamine","","- C22 H27 N O11 -","- C22 H27 N O11 -","- C44 H54 N2 O22 -","2","1","BT2124","Sema Öztürk Yıldırım; Mehmet Akkurt; Ali Asghar Jarrahpour; Parvaneh Alvand; Orhan Büyükgüngör","<i>N</i>-(2-Hydroxy-3-methoxybenzylidene)-2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosylamine","Acta Crystallographica Section E","2006","62","8","o3247","o3248","10.1107/S1600536806025864","","","0.71073","MoKα","","0.0492","0.0349","","","0.0879","0.0942","","","","","","0.91","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209760","8.7766","0.0017","17.421","0.003","16.544","0.003","90","","103.774","0.004","90","","2456.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 F N Ni S10 -","- C18 H11 F N Ni S10 -","- C72 H44 F4 N4 Ni4 S40 -","4","1","BT2125","Weijiang Lou; Guozhong Yang; Yang Su; Ruojie Tao","<i>N</i>-(4-Fluorobenzyl)pyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","Acta Crystallographica Section E","2006","62","8","m1814","m1815","10.1107/S1600536806026183","","","0.71073","MoKα","","0.078","0.0486","","","0.0854","0.0932","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209761","5.886","0.0016","7.818","0.002","13.5","0.004","84.883","0.005","80.5","0.005","73.769","0.004","587.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Chlorobenzaldehyde (pyrazine-2-carbonyl)hydrazone","","- C12 H9 Cl N4 O -","- C12 H9 Cl N4 O -","- C24 H18 Cl2 N8 O2 -","2","1","BT2126","Cui-Cui Yuan; Li Wu; Zhi-Yong Xing; Xue-Fang Shi","4-Chlorobenzaldehyde (pyrazin-2-ylcarbonyl)hydrazone","Acta Crystallographica Section E","2006","62","8","o3274","o3275","10.1107/S1600536806026006","","","0.71073","MoKα","","0.0741","0.0389","","","0.087","0.1067","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209762","7.2","0.0014","9.53","0.0019","33.089","0.007","90","","94.71","0.03","90","","2262.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-{[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(2,6- dimethylphenyl)aminocarbonylmethyl]piperazine","","- C23 H26 Br N5 O2 -","- C23 H26 Br N5 O2 -","- C92 H104 Br4 N20 O8 -","4","1","BT2130","Wang, Hai-Bo; Liu, Zhi-Qian; Yan, Xiao-Chen","1-{[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine","Acta Crystallographica Section E","2006","62","8","o3465","o3466","10.1107/S1600536806027966","","","0.71073","MoKα","","0.1687","0.09","","","0.219","0.2642","","","","","","0.968","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209763","14.4149","0.0017","8.8331","0.0011","16.0753","0.0019","90","","92.626","0.003","90","","2044.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibromo‒[(<i>E</i>)‒2,4,6‒trimethyl‒<i>N</i>‒(1‒(pyridin‒2‒yl)\ ethylidene)benzenamine-N,N'](acetonitrile)nickel(II)","","- C18 H21 Br2 N3 Ni -","- C18 H21 Br2 N3 Ni -","- C72 H84 Br8 N12 Ni4 -","4","1","BT2131","Huang, Bor-Hunn; Su, Sheng-Yuan; Lin, Chu-Chieh","(Acetonitrile)dibromo{(<i>E</i>)-2,4,6-trimethyl-<i>N</i>-[1-(pyridin-2-yl)ethylidene]aniline-κ^2^<i>N</i>,<i>N</i>'}nickel(II)","Acta Crystallographica Section E","2006","62","8","m1830","m1831","10.1107/S1600536806026389","","","0.71073","MoKα","","0.0828","0.0403","","","0.0811","0.0883","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209764","5.8169","0.0013","10.001","0.002","10.216","0.002","90","","95.187","0.004","90","","591.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(2-thiazolin-2-ylsulfanyl)ethane","","- C8 H12 N2 S4 -","- C8 H12 N2 S4 -","- C16 H24 N4 S8 -","2","0.5","BT2132","Wei Wang; Jing Wang; Bing Zhao","1,2-Bis(2-thiazolin-2-ylsulfanyl)ethane","Acta Crystallographica Section E","2006","62","8","o3356","o3357","10.1107/S1600536806026808","","","0.71073","MoKα","","0.0424","0.0311","","","0.0777","0.0864","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209765","15.193","0.004","7.28","0.002","7.538","0.002","90","","90","","90","","833.7","0.4","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-(-)-8-Hydroxy-3-methyl-3,4-dihydro-lH-2-benzopyran-l-one","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","BT2133","Flörke, Ulrich; Krohn, Karsten; Zia‒Ullah; Hussain, Hiayat","An orthorhombic modification of (<i>R</i>)-({-})-8-hydroxy-3-methyl-3,4-dihydro-1<i>H</i>-2-benzopyran-1-one [(<i>R</i>)-({-})-mellein]","Acta Crystallographica Section E","2006","62","8","o3539","o3541","10.1107/S1600536806026195","","","0.71073","MoKα","","0.0539","0.0462","","","0.1078","0.1104","","","","","","1.253","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209766","7.5731","0.0015","18.615","0.004","8.6622","0.0017","90","","112.36","0.03","90","","1129.3","0.5","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[μ~2~-1,1'-(1,4-butanediyl)bis(imidazole)- κ^2^N^3^:N^3'^]dichlorocobalt(II)]","","- C20 H28 Cl2 Co N8 -","- C20 H28 Cl2 Co N8 -","- C40 H56 Cl4 Co2 N16 -","2","0.5","BT2135","Guo-Chen Dong; Rong-Chang Zhang","Poly[[μ~2~-1,1'-(butane-1,4-diyl)bis(imidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dichlorocobalt(II)]","Acta Crystallographica Section E","2006","62","8","m1847","m1849","10.1107/S1600536806026985","","","0.71073","MoKα","","0.0761","0.0525","","","0.1271","0.139","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209767","9.4486","0.0013","6.0103","0.0009","20.616","0.003","90","","97.85","0.002","90","","1159.8","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,5R,9R,10R)-7,13-abietadien-18-yl p-bromobenzoate","","- C27 H35 Br O2 -","- C27 H35 Br O2 -","- C54 H70 Br2 O4 -","2","1","BT2137","González, Miguel A.; Gil-Gimeno, Maria J.; Blake, Alexander J.","Determination of the absolute configuration of ({-})-abietic acid <i>via</i> its (4<i>R</i>,5<i>R</i>,9<i>R</i>,10<i>R</i>)-7,13-abietadien-18-yl <i>p</i>-bromobenzoate derivative","Acta Crystallographica Section E","2006","62","8","o3346","o3347","10.1107/S1600536806026705","","","0.71073","MoKα","","0.0337","0.0317","","","0.0818","0.0833","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209768","12.9248","0.0006","7.1566","0.0003","13.2007","0.0006","90","","105.05","0.001","90","","1179.15","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(5-Chloro-6-methoxynaphthalen-2-yl)propan-1-one","","- C14 H13 Cl O2 -","- C14 H13 Cl O2 -","- C56 H52 Cl4 O8 -","4","1","BT2138","Jiao Ye; Ai-Xi Hu; Gao Cao","1-(5-Chloro-6-methoxynaphthalen-2-yl)propan-1-one","Acta Crystallographica Section E","2006","62","8","o3384","o3385","10.1107/S1600536806026961","","","0.71073","MoKα","","0.0324","0.0287","","","0.0782","0.0819","","","","","","0.999","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209769","27.129","0.005","6.0663","0.0012","15.613","0.003","90","","118.07","0.03","90","","2267.2","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","O-Isobutyl N-phenylthiocarbamate","","- C11 H15 N O S -","- C11 H15 N O S -","- C88 H120 N8 O8 S8 -","8","1","BT2139","Fang-Fang Jian; Huan-Qing Yu; Yuan-Biao Qiao; Tong-Ling Liang","<i>O</i>-Isobutyl <i>N</i>-phenylthiocarbamate","Acta Crystallographica Section E","2006","62","8","o3416","o3417","10.1107/S1600536806027280","","","0.71073","MoKα","","0.0624","0.0438","","","0.108","0.1171","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209770","8.7682","0.0007","12.253","0.001","14.736","0.001","103.289","0.001","100.135","0.001","93.053","0.001","1509.5","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","μ-Oxo-di-μ-sulfato-bis[aqua(1,10-phenanthroline-κ^2^N,N')iron(III)] tetrahydrate","","- C24 H28 Fe2 N4 O15 S2 -","- C24 H28 Fe2 N4 O15 S2 -","- C48 H56 Fe4 N8 O30 S4 -","2","1","BT2141","Zhao, Ji-Nan; Zhang, Hui-Qin; Ng, Seik Weng","μ-Oxo-di-μ-sulfato-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(III)] tetrahydrate","Acta Crystallographica Section E","2006","62","8","m1890","m1891","10.1107/S1600536806027292","","","0.71073","MoKα","","0.054","0.036","","","0.089","0.1","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209771","17.432","0.001","3.8123","0.0003","16.734","0.001","90","","90","","90","","1112.07","0.13","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-Poly[[(di-2-pyridylamine-κ^2^N,N')copper(I)]-μ-isothiocyanato- κ^2^S:S]","","- C11 H9 Cu N4 S -","- C11 H9 Cu N4 S -","- C44 H36 Cu4 N16 S4 -","4","1","BT2142","Zhou, Rui; Ng, Seik Weng","<i>catena</i>-Poly[[(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ-isothiocyanato-κ^2^<i>S</i>:<i>S</i>]","Acta Crystallographica Section E","2006","62","8","m1873","m1874","10.1107/S1600536806027309","","","0.71073","MoKα","","0.0431","0.0399","","","0.1026","0.105","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209772","7.1168","0.0005","8.4491","0.0006","9.5294","0.0006","87.033","0.001","77.344","0.001","84.337","0.001","556.09","0.07","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-aminobenzenesulfonato-κN)bis(N,N-dimethylformamide-κO)copper(II)","","- C18 H26 Cu N4 O8 S2 -","- C18 H26 Cu N4 O8 S2 -","- C18 H26 Cu N4 O8 S2 -","1","0.5","BT2143","Fu, Yun-Long; Sun, Min-Na; Zhi, Xiao-Fang; Ng, Seik Weng","Bis(4-aminobenzenesulfonato-κ<i>N</i>)bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2006","62","8","m1952","m1953","10.1107/S1600536806027942","","","0.71073","MoKα","","0.038","0.033","","","0.102","0.134","","","","","","1.13","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209773","16.7083","0.0008","10.916","0.0005","21.0628","0.001","90","","90","","90","","3841.6","0.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[[bis(acetonitrile-κN)bis{μ-2-[(2- carboxylatoethyl)ammoniomethyl]benzoato}copper(II)] bis(perchlorate) acetonitrile disolvate]","","- C30 H36 Cl2 Cu2 N6 O16 -","- C30 H36 Cl2 Cu2 N6 O16 -","- C120 H144 Cl8 Cu8 N24 O64 -","4","0.5","BT2146","Musie, Ghezai T.; Li, Xiaobao; Klausmeyer, Kevin K.","Poly[[bis(acetonitrile-κ<i>N</i>)bis{μ-2-[(2-carboxylatoethyl)ammoniomethyl]benzoato}copper(II)] bis(perchlorate) acetonitrile disolvate]","Acta Crystallographica Section E","2006","62","8","m1966","m1968","10.1107/S160053680602839X","","","0.71073","MoKα","","0.052","0.0318","","","0.073","0.0798","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209774","6.5024","0.0004","26.392","0.002","9.907","0.0007","90","","103.733","0.001","90","","1651.6","0.2","291","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[tris(ethylene-1,2-diammonium) bis[aqua(μ-sulfato-κ^3^O,O':O'')(μ-sulfato-κ^4^O,O':O'',O''')(sulfato- κO)terbate(III)] tetrahydrate]","","- C6 H42 N6 O30 S6 Tb2 -","- C6 H42 N6 O30 S6 Tb2 -","- C12 H84 N12 O60 S12 Tb4 -","2","0.5","BT2147","Xu, Zhi-Wei; Yang, Jun-Ying; Fu, Yun-Long; Ng, Seik Weng","Poly[tris(ethylene-1,2-diammonium) bis[aqua(μ-sulfato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')(μ-sulfato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')(sulfato-κ<i>O</i>)terbate(III)] tetrahydrate]","Acta Crystallographica Section E","2006","62","8","m1875","m1877","10.1107/S1600536806027322","","","0.71073","MoKα","","0.05","0.04","","","0.077","0.081","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209775","5.5832","0.0007","8.7122","0.0007","8.9572","0.0008","76.301","0.007","77.956","0.009","72.629","0.009","399.5","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κO)diaquabis(1-methylimidazole-κN^3^)cobalt(II)","","- C12 H22 Co N4 O6 -","- C12 H22 Co N4 O6 -","- C12 H22 Co N4 O6 -","1","0.5","BT2149","Blazěna Papánková; Svoboda, Ingrid; Fuess, Hartmut","Bis(acetato-κ<i>O</i>)diaquabis(1-methylimidazole-κ<i>N</i>^3^)cobalt(II)","Acta Crystallographica Section E","2006","62","8","m1916","m1918","10.1107/S1600536806028029","","","0.71073","MoKα","","0.0331","0.0326","","","0.0868","0.0872","","","","","","1.088","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209776","17.101","0.001","7.354","0.001","21.375","0.002","90","","91.868","0.009","90","","2686.7","0.5","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-[(6-Methylpyridin-2-ylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C104 H112 N16 O32 -","8","1","BT2150","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","2,2-Dimethyl-5-[(6-methylpyridin-2-ylamino)methylene]-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2006","62","8","o3477","o3478","10.1107/S160053680602842X","","","1.5418","CuKα","","0.0595","0.0449","","","0.1182","0.1287","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209777","9.436","0.001","10.588","0.001","17.926","0.002","90","","90","","90","","1791","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Raucaffrinoline","(17R,20α,21β)-1,2-didehydro-1-demethyl-19-hydroxy-21-methyl-18- norajmalan-17-yl acetate","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","BV2020","Sabino, Jose R.; Kato, Lucilia; Braga, Raquel M.; Vencato, Ivo","Raucaffrinoline","Acta Crystallographica Section E","2006","62","8","o3181","o3183","10.1107/S1600536806024615","","","1.5418","CuKα","","0.0918","0.0398","","","0.0902","0.1074","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209778","10.6396","0.001","15.3834","0.001","22.6827","0.001","90","","91.405","0.01","90","","3711.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","trans-6-oxo-11-thiophen-2-yl-11,12-dihydro-6H-dibenzo[c,h]chromene-12- carboxylic acid methyl ester","trans-6-oxo-11-thiophen-2-yl-11,12-dihydro-6H-dibenzo[c,h]chromene-12- carboxylic acid methyl ester","","- C23 H16 O4 S -","- C23 H16 O4 S -","- C184 H128 O32 S8 -","8","1","BV2022","Bogdanov, Milen G.; Todorov, Iliya S.","Methyl <i>trans</i>-6-oxo-11-thiophen-2-yl-11,12-dihydro-6<i>H</i>-dibenzo[<i>c</i>,<i>h</i>]chromene-12-carboxylate","Acta Crystallographica Section E","2006","62","8","o3334","o3336","10.1107/S1600536806026043","","","0.71073","MoKα","","0.1887","0.0841","","","0.1973","0.2537","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209779","6.8178","0.0009","9.4311","0.0018","13.833","0.002","105.69","0.02","92.453","0.018","98.79","0.02","842.9","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 N2 O6 S4 -","- C34 H46 N2 O6 S4 -","- C34 H46 N2 O6 S4 -","1","0.5","CF2037","Gaël Labat; Joan Halfpenny","A thiophene-based azacryptand Mannich base: 15,35-dipropyl-2,5,8,22,25,28-hexaoxa-12,18,32,38-tetrathia-15,35-diazapentacyclo[29.5.5.5.0.0]tetraconta-1(37),9(13),10,17(21),19,29(33),30,39-octaene","Acta Crystallographica Section E","2006","62","8","o3310","o3312","10.1107/S1600536806026250","","","0.71073","MoKα","","0.0384","0.0283","","","0.0688","0.0714","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209780","18.973","0.005","5.0236","0.0014","9.915","0.003","90","","95.944","0.005","90","","939.9","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-phenylenebis(methylene) bis(phenylcarbamate)","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C44 H40 N4 O8 -","2","0.5","CF2039","Liqun Yan; Li Wu; Xuefang Shi; Wenqin Zhang","<i>p</i>-Phenylenedimethylene bis(<i>N</i>-phenylcarbamate)","Acta Crystallographica Section E","2006","62","8","o3292","o3293","10.1107/S1600536806026390","","","0.71073","MoKα","","0.0753","0.0398","","","0.0973","0.1172","","","","","","1.01","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209781","12.507","0.002","13.188","0.003","19.937","0.006","90","","106.19","0.05","90","","3158","1.5","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H80 N4 S16 Sn2 W4 -","- C32 H80 N4 S16 Sn2 W4 -","- C64 H160 N8 S32 Sn4 W8 -","2","0.5","CF2042","Wang, Qing-Hua","Tetrakis(tetraethylammonium) tetrakis(tetrathiotungstenio)distannate(II)","Acta Crystallographica Section E","2006","62","8","m1936","m1937","10.1107/S1600536806026171","","","0.71073","MoKα","","0.068","0.0578","","","0.1523","0.1579","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209782","8.758","0.003","9.718","0.002","10.197","0.002","80.696","0.019","69.5","0.02","79.47","0.02","794.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 5-(4-phenyl-1H-1,2,3-triazol-1-yl)benzene-1,3-dicarboxylate","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C36 H30 N6 O8 -","2","1","CF2043","Wen-Qiang Zou; Yan Li; Fa-Kun Zheng; Guo-Cong Guo; Jin-Shun Huang","Dimethyl 5-(4-phenyl-1<i>H</i>-1,2,3-triazol-1-yl)benzene-1,3-dicarboxylate","Acta Crystallographica Section E","2006","62","8","o3591","o3593","10.1107/S1600536806028881","","","0.71073","MoKα","","0.0826","0.0563","","","0.1563","0.1794","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209783","11.994","0.006","12.477","0.007","13.345","0.007","77.227","0.007","81.505","0.007","89.837","0.007","1925.4","1.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","cis,cis-μ-2,3,5,6-Tetra-2-pyridylpyrazine- κ^3^N^1^,N^2^,N^6^:κ^3^N^3^,N^4^,N^5^-bis[dichloro(dimethyl sulfoxide-κS)ruthenium(II)] dihydrate acetone disolvate","","- C34 H44 Cl4 N6 O6 Ru2 S2 -","- C28 H28 Cl4 N6 O2 Ru2 S2 -","- C56 H56 Cl8 N12 O4 Ru4 S4 -","2","1","CF2045","Hadadzadeh, Hassan; Yap, Glenn P. A.; Crutchley, Robert J.","<i>cis</i>,<i>cis</i>-μ-2,3,5,6-Tetra-2-pyridylpyrazine-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^:κ^3^<i>N</i>^3^,<i>N</i>^4^,<i>N</i>^5^-bis[dichloro(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)] dihydrate acetone disolvate","Acta Crystallographica Section E","2006","62","8","m2002","m2004","10.1107/S1600536806028959","","","0.71073","MoKα","","0.0709","0.066","","","0.1728","0.1761","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209784","12.7635","0.0008","12.7635","0.0008","10.8158","0.0006","90","","90","","90","","1761.97","0.18","110","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Tetramethyl 2,6-dioxoadamantane-1,3,5,7-tetracarboxylate","","- C18 H20 O10 -","- C18 H20 O10 -","- C72 H80 O40 -","4","0.25","CF2047","Keblys, Vita E.; Fronczek, Frank R.; Newkome, George R.; Watkins, Steven F.; Weis, Claus D.","Tetramethyl 2,6-dioxoadamantane-1,3,5,7-tetracarboxylate","Acta Crystallographica Section E","2006","62","8","o3280","o3281","10.1107/S1600536806025980","","","0.71073","MoKα","","","0.042","","","","0.127","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209785","9.6691","0.0002","10.5583","0.0002","18.9279","0.0003","90","","103.16","0.001","90","","1881.59","0.06","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","A cocrystal of clusiacitran A, clusiacitran B, (10-fluoro-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.10^4,13^.0^7,12^] pentadeca-7,9-11-trien-8,yl)phenyl-methanone and (10-fluoro-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.10^4,13^.0^7,12^] pentadeca-7,9-11-trien-10,yl)phenyl-methanone (0.45:0.45:0.05:0.05)","clusiacitran A‒clusiacitran B‒ (10-fluoro-9-hydroxy-1,5,5-trimethyl-6,15- dioxatetracyclo[9.3.10^4,13^.0^7,12^]pentadeca-7,9,11-trien-8- yl)(phenyl)methanone‒ (10-fluoro-9-hydroxy-1,5,5-trimethyl-6,15- dioxatetracyclo[9.3.10^4,13^.0^7,12^]pentadeca-7,9,11-trien-10- yl)(phenyl)methanone (0.45/0.45/0.05/0.05)","","- C23 H23.9 F0.1 O4 -","- C23 H23.899 F0.101 O4 -","- C92 H95.596 F0.404 O16 -","4","1","CI2071","Hoong-Kun Fun; Sorwaporn Koysomboon; Kan Chantrapromma; Suchada Chantrapromma","A cocrystal of clusiacitran A, clusiacitran B, fluorinated clusiacitran A and fluorinated clusiacitran B (0.45:0.45:0.05:0.05)","Acta Crystallographica Section E","2006","62","8","o3228","o3230","10.1107/S160053680602602X","","","0.71073","MoKα","","0.1016","0.0574","","","0.1174","0.1354","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2209786","7.9131","0.0013","9.5314","0.0015","13.949","0.003","77.692","0.012","79.132","0.017","88.946","0.018","1009.2","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-Bromo-3,4,5-trimethoxybenzyl 4-bromo-7-methoxy-1,3-benzodioxole-5-carboxylate","","- C19 H18 Br2 O8 -","- C19 H18 Br2 O8 -","- C38 H36 Br4 O16 -","2","1","CI2076","Xian-Shu Fu; Yan Zhang; Jun-Wei Sun; Xiao-Xia Yu","2-Bromo-3,4,5-trimethoxybenzyl 4-bromo-7-methoxy-1,3-benzodioxole-5-carboxylate","Acta Crystallographica Section E","2006","62","8","o3135","o3136","10.1107/S160053680602438X","","","0.7107","MoKα","","0.0537","0.0319","","","0.0709","0.0776","","","","","","0.925","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209787","5.039","0.0013","13.22","0.002","15.318","0.002","90","","90","","90","","1020.4","0.3","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pyridinium tartrate","","- C9 H11 N O6 -","- C9 H11 N O6 -","- C36 H44 N4 O24 -","4","1","CI2080","J. Suresh; R. V. Krishnakumar; K. Rajagopal; S. Natarajan","Pyridinium (2<i>R</i>,3<i>R</i>)-tartrate","Acta Crystallographica Section E","2006","62","8","o3220","o3222","10.1107/S1600536806024974","","","0.71073","MoKα","","0.0614","0.0453","","","0.1317","0.1423","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209788","13.7596","0.0009","7.8469","0.0005","24.4168","0.0015","90","","103.476","0.001","90","","2563.7","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,6-diisobutyl-4,8-dioxo-2,3,6,7-tetrahydro-1H,5H-2,3a,4a,6,7a,8a- hexaazacyclopenta[def]fluorene-8b,8c-dicarboxylate","","- C22 H36 N6 O6 -","- C22 H36 N6 O6 -","- C88 H144 N24 O24 -","4","1","CI2081","Li, Yi-Tao; Guo, Qian-Ni","Diethyl 2,6-diisobutyl-4,8-dioxo-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2006","62","8","o3463","o3464","10.1107/S1600536806027620","","","0.71073","MoKα","","0.0774","0.0574","","","0.1624","0.1759","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209789","19.038","0.004","7.7015","0.0016","13.091","0.003","90","","108.134","0.003","90","","1824.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[(1H-inden-3-ylcyclopentyl)-η^5^- cyclopentadienyl]hexacarbonyldimolydenum(I)(Mo—Mo)","","- C44 H38 Mo2 O6 -","- C44 H38 Mo2 O6 -","- C88 H76 Mo4 O12 -","2","0.5","CI2083","Lin, Jin; Song, Hai-Bin; Xu, Shan-Sheng","Bis{[1-(1<i>H</i>-inden-3-yl)cyclopentyl]-η^5^-cyclopentadienyl}hexacarbonyldimolydenum(I)(<i>Mo{—</i>Mo})","Acta Crystallographica Section E","2006","62","8","m1861","m1862","10.1107/S1600536806027000","","","0.71073","MoKα","","0.0815","0.0371","","","0.0639","0.0789","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209790","18.155","0.0005","10.6381","0.0003","14.6858","0.0004","90","","112.992","0.002","90","","2611.02","0.13","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorobis(1,10-phenanthroline)(trichloroacetato)manganese(II)","","- C26 H16 Cl4 Mn N4 O2 -","- C26 H16 Cl4 Mn N4 O2 -","- C104 H64 Cl16 Mn4 N16 O8 -","4","1","CI2085","Liang Chen; Xian-Wen Wang; Fu-Ping Chen; Ying Chen; Jing-Zhong Chen","Chlorobis(1,10-phenanthroline)(trichloroacetato)manganese(II)","Acta Crystallographica Section E","2006","62","8","m1743","m1745","10.1107/S1600536806024937","","","0.71073","MoKα","","0.0398","0.0304","","","0.0777","0.0844","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209791","7.544","0.002","8.448","0.002","14.865","0.003","101.09","0.03","90.35","0.03","90.55","0.03","929.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(mefenamato-κO)bis(methanol-κO)bis(pyridine-κN)copper(II)","","- C42 H46 Cu N4 O6 -","- C42 H46 Cu N4 O6 -","- C42 H46 Cu N4 O6 -","1","0.5","CI2086","Lörinc, Štefan; Koman, Marian; Melník, Milan; Maroszova Jaroslava","Bis(mefenamato-κ<i>O</i>)bis(methanol-κ<i>O</i>)bis(pyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2006","62","8","m1938","m1939","10.1107/S1600536806027607","","","0.71073","MoKα","","0.0457","0.0351","","","0.0865","0.0923","","","","","","0.966","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209792","6.8918","0.0008","12.9137","0.0014","30.668","0.003","90","","90","","90","","2729.4","0.5","273","2","273","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","1,3',7,7-Tetramethylspiro[bicyclo[2.2.1]heptane-2,2'-thiolane] 1',1'-dioxide","","- C14 H24 O2 S -","- C14 H24 O2 S -","- C112 H192 O16 S8 -","8","1","CI2087","Huang, Kun; Li, Yi-Zhi; Zhao, Sen-Zhi; Li, Xin-Liang; Huang, Zhi-Zhen","1,3',7,7-Tetramethylspiro[bicyclo[2.2.1]heptane-2,2'-thiolane] 1',1'-dioxide","Acta Crystallographica Section E","2006","62","8","o3237","o3238","10.1107/S1600536806025372","","","0.71073","MoKα","","0.0652","0.0523","","","0.1073","0.1099","","","","","","0.951","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209793","17.126","0.01","5.919","0.005","12.376","0.008","90","","100.56","0.03","90","","1233.3","1.5","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3-5,6-Tetrafluoro-1,4-di-4-pyridylbenzene","","- C16 H8 F4 N2 -","- C16 H8 F4 N2 -","- C64 H32 F16 N8 -","4","0.5","CI2088","Ferrer, Montserrat; Gutiérrez, Albert; Mounir, Mounia; Solans, Xavier; Font-Bardia, Mercè","2,3-5,6-Tetrafluoro-1,4-di-4-pyridylbenzene","Acta Crystallographica Section E","2006","62","8","o3213","o3214","10.1107/S1600536806025402","","","0.71073","MoKα","","0.0651","0.0586","","","0.1315","0.1368","","","","","","1.207","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209794","6.8742","0.0015","7.2537","0.0016","14.729","0.002","97.509","0.005","94.6","0.008","111.419","0.008","671.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Chloro-1,3-benzothiazol-2-yl)-3-propylurea monohydrate","","- C11 H14 Cl N3 O2 S -","- C11 H14 Cl N3 O2 S -","- C22 H28 Cl2 N6 O4 S2 -","2","1","CI2092","Bing Liu; Ke-Jian Li; Hai-Bin Song; Qiang Liu","1-(4-Chloro-1,3-benzothiazol-2-yl)-3-propylurea monohydrate","Acta Crystallographica Section E","2006","62","8","o3322","o3323","10.1107/S1600536806026596","","","0.7107","MoKα","","0.0537","0.0371","","","0.0951","0.1049","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209795","13.226","0.002","13.594","0.002","30.205","0.005","90","","90","","90","","5430.7","1.5","294","2","294","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Cl N2 O P2 Pd -","- C29 H25 Cl N2 O P2 Pd -","- C232 H200 Cl8 N16 O8 P16 Pd8 -","8","1","CI2093","Li, Peng; Li, Qing-Shan; Xu, Feng-Bo; Song, Hai-Bin; Zhang, Zheng-Zhi","Chloro[<i>N</i>-(diphenylphosphino)pyridin-2-amine-κ^2^<i>N</i>^1^,<i>P</i>](diphenylphosphoryl)palladium(II)","Acta Crystallographica Section E","2006","62","8","m1825","m1826","10.1107/S1600536806026055","","","0.71073","MoKα","","0.142","0.057","","","0.0949","0.1234","","","","","","1.123","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209796","13.505","0.002","15.271","0.002","17.332","0.003","70.556","0.012","81.673","0.013","70.53","0.011","3175.6","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","(μ-Perfluorosebacato-κ^2^O:O')bis[aquabis(1,10-phenanthroline- κ^2^N,N')zinc(II)] perfluorosebacate bis[triaqua(perfluorosebacato- κO)(1,10-phenanthroline-κ^2^N,N')zinc(II)] 3.32-hydrate","","- C112 H70.63 F64 N12 O27.32 Zn4 -","- C112 H70.632 F64 N12 O27.316 Zn4 -","- C112 H70.632 F64 N12 O27.316 Zn4 -","1","0.5","CI2094","Ibrahim, Kani; Şahin, Onur; Filiz, Yilmaz; Büyükgüngör, Orhan","(μ-Perfluorosebacato-κ^2^<i>O</i>:<i>O</i>')bis[aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)] perfluorosebacate bis[triaqua(perfluorosebacato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)] 3.32-hydrate","Acta Crystallographica Section E","2006","62","8","m1909","m1911","10.1107/S1600536806027656","","","0.71073","MoKα","","0.0581","0.045","","","0.1153","0.1221","","","","","","0.994","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209797","12.4002","0.0013","17.4038","0.0018","17.7311","0.0018","93.366","0.002","109.955","0.002","98.015","0.002","3538.4","0.6","292","2","292","2","","","","","","","","5","P -1","-P 1","2","[C~31~H~42~N~3~]~2~[Mo~6~O~19~]","Bis(hexaethylpararosanilinium) hexamolybdate","","- C62 H84 Mo6 N6 O19 -","- C62 H84 Mo6 N6 O19 -","- C124 H168 Mo12 N12 O38 -","2","1","CI2096","Deng, Xiao-Tao; Wang, Xiao-Yan; Wang, Cheng-Gang","Bis(hexaethylpararosanilinium) hexamolybdate","Acta Crystallographica Section E","2006","62","8","m2000","m2001","10.1107/S1600536806028911","","","0.71073","MoKα","","0.0565","0.0363","","","0.0816","0.0967","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209798","6.6539","0.0007","12.3682","0.0015","10.1814","0.0015","90","","100.967","0.007","90","","822.59","0.18","120","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Nicotinium nitrate monohydrate","","- C6 H8 N2 O6 -","- C6 H8 N2 O6 -","- C24 H32 N8 O24 -","4","1","CI2097","Samuel Robinson Jebas; Thailampillai Balasubramanian; Mark E. Light","Nicotinium nitrate monohydrate","Acta Crystallographica Section E","2006","62","8","o3481","o3482","10.1107/S1600536806027474","","","0.71073","MoKα","","","0.0545","","","","0.1366","","","","","","0.984","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209799","6.7282","0.0006","9.083","0.0004","9.2148","0.0007","98.46","0.001","91.99","0.001","101.05","0.002","545.53","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","DL-valinium trifluoroacetate","","- C7 H12 F3 N O4 -","- C7 H12 F3 N O4 -","- C14 H24 F6 N2 O8 -","2","1","CI2098","J. Suresh; S. Natarajan","<small>DL</small>-Valinium trifluoroacetate","Acta Crystallographica Section E","2006","62","8","o3331","o3333","10.1107/S1600536806026638","","","0.71073","MoKα","","0.1693","0.0731","","","0.1994","0.2551","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209800","10.049","0.003","11.55","0.003","18.149","0.007","90","0.02","90","0.03","90","0.02","2106.5","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β-Acetoxy-17,17-ethylenedioxy-15β,16β-methylene-5-androsten-7β-ol","","- C24 H34 O5 -","- C24 H34 O5 -","- C96 H136 O20 -","4","1","CI2100","Wei Zhou; Guang-Xiang Zhong; Wei-Xiao Hu; Chun-Nian Xia","3β-Acetoxy-17,17-ethylenedioxy-15β,16β-methylene-5-androsten-7β-ol","Acta Crystallographica Section E","2006","62","8","o3542","o3543","10.1107/S1600536806028534","","","0.71073","MoKα","","0.0929","0.044","","","0.103","0.1202","","","","","","1.122","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209801","10.035","0.004","8.194","0.003","16.671","0.007","90","","92.438","0.005","90","","1369.6","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-1-phenyl-N-(2-thienylmethylene)-1H-pyrazol-5-amine","","- C15 H13 N3 S -","- C15 H13 N3 S -","- C60 H52 N12 S4 -","4","1","CI2101","Fang Yang; Xiao-Yue Li; Hai-Ying Wang; Sai-Nan Ni; Da-Qing Shi","3-Methyl-1-phenyl-<i>N</i>-(2-thienylmethylene)-1<i>H</i>-pyrazol-5-amine","Acta Crystallographica Section E","2006","62","8","o3566","o3567","10.1107/S1600536806028467","","","0.71073","MoKα","","0.0826","0.0426","","","0.1009","0.1311","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209802","7.813","0.004","9.032","0.006","13.631","0.009","90","","94.92","0.02","90","","958.4","1","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(4-Carboxyphenoxy)propionic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","CI2104","Gao, Shan; Ng, Seik Weng","3-(4-Carboxyphenoxy)propionic acid","Acta Crystallographica Section E","2006","62","8","o3420","o3421","10.1107/S1600536806027577","","","0.71073","MoKα","","0.078","0.046","","","0.137","0.153","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209803","7.5828","0.0013","8.9824","0.0015","11.5308","0.0019","109.542","0.003","98.836","0.003","107.754","0.003","675.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","3-(2-Ethoxyphenyl)-5-methylsulfanyl-4H-1,2,4-triazol-4-amine monohydrate","","- C11 H16 N4 O2 S -","- C11 H16 N4 O2 S -","- C22 H32 N8 O4 S2 -","2","1","CI2105","Jin-Chang Ding; Rong Xu; Hua-Yue Wu; Hong-Ping Xiao; Xiao-Bo Huang","3-(2-Ethoxyphenyl)-5-methylsulfanyl-4<i>H</i>-1,2,4-triazol-4-amine monohydrate","Acta Crystallographica Section E","2006","62","8","o3461","o3462","10.1107/S1600536806027425","","","0.71073","MoKα","","0.0518","0.0443","","","0.1085","0.1137","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209804","6.597","0.003","17.427","0.007","15.433","0.006","90","","91.496","0.009","90","","1773.7","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-Bis(2,5-dimethoxyphenyl)oxamide","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","2","CI2108","Yong-Hong Wen; Kun Zhang; Xue-Mei Li; Xiao-Fang Tang; Shu-Sheng Zhang","<i>N</i>,<i>N</i>'-Bis(2,5-dimethoxyphenyl)oxamide","Acta Crystallographica Section E","2006","62","8","o3549","o3550","10.1107/S1600536806028200","","","0.71073","MoKα","","0.1481","0.0642","","","0.0876","0.1095","","","","","","0.991","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209805","17.747","0.002","15.266","0.002","13.299","0.001","90","","108.243","0.006","90","","3421.9","0.7","293","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(1,3-Benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-isopropylacetamide","","- C18 H17 F N2 O2 S -","- C18 H17 F N2 O2 S -","- C144 H136 F8 N16 O16 S8 -","8","2","CI2111","Gao, Shan; Ng, Seik Weng","2-(1,3-Benzothiazol-2-yloxy)-<i>N</i>-(4-fluorophenyl)-<i>N</i>-isopropylacetamide","Acta Crystallographica Section E","2006","62","8","o3515","o3516","10.1107/S1600536806027991","","","0.71073","MoKα","","0.128","0.061","","","0.127","0.15","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209806","4.0062","0.0002","13.6947","0.0009","27.53","0.002","90","","90","","90","","1510.4","0.17","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-3-(1,3-Benzodioxol-5-yl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one","","- C18 H16 O6 -","- C18 H16 O6 -","- C72 H64 O24 -","4","1","CI2112","Gao, Shan; Ng, Seik Weng","(<i>E</i>)-3-(1,3-Benzodioxol-5-yl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","8","o3517","o3518","10.1107/S1600536806028017","","","0.71073","MoKα","","0.039","0.036","","","0.099","0.102","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209807","9.355","0.001","13.046","0.003","16.033","0.003","90","","90","","90","","1956.8","0.6","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Hydroxy-3,3,6,6-tetramethyl-9-propyl-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione monohydrate","","- C20 H31 N O4 -","- C20 H31 N O4 -","- C80 H124 N4 O16 -","4","1","CI2113","Xiang Zou; Shu-Jiang Tu; Fang Fang; Yan Zhang","5-Hydroxy-3,3,6,6-tetramethyl-9-propyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione monohydrate","Acta Crystallographica Section E","2006","62","8","o3510","o3511","10.1107/S1600536806028066","","","0.71073","MoKα","","0.0715","0.0391","","","0.08","0.086","","","","","","0.847","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209808","19.7661","0.0007","6.61","0.009","7.4321","0.0008","90","","90","","90","","971","1.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,2,2-Trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide","","- C8 H5 F3 N2 O4 -","- C8 H5 F3 N2 O4 -","- C32 H20 F12 N8 O16 -","4","0.5","CI2117","Su-Qin Chen; Jing Zhu; Xiang-Hong Huang; Qian-Feng Zhang","2,2,2-Trifluoro-<i>N</i>-(2-hydroxy-5-nitrophenyl)acetamide","Acta Crystallographica Section E","2006","62","8","o3589","o3590","10.1107/S1600536806028819","","","0.71073","MoKα","","0.0772","0.0691","","","0.1262","0.1422","","","","","","1.078","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209809","11.502","0.008","6.032","0.004","16.359","0.008","90","","131.47","0.03","90","","850.4","1","295","2","295","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","catena-Poly[[silver-μ-piperazine-κ^2^N:N'] perchlorate]","","- C4 H10 Ag Cl N2 O4 -","- C4 H10 Ag Cl N2 O4 -","- C16 H40 Ag4 Cl4 N8 O16 -","4","1","CI2122","Liu, Ju-Tao; Ng, Seik Weng","<i>catena</i>-Poly[[silver-μ-piperazine-κ^2^<i>N</i>:<i>N</i>'] perchlorate]","Acta Crystallographica Section E","2006","62","8","m1992","m1993","10.1107/S1600536806028753","","","0.71073","MoKα","","0.066","0.057","","","0.185","0.188","","","","","","1.21","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209810","12.344","0.003","11.609","0.003","13.64","0.003","90","","112.888","0.003","90","","1800.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Chlorophenyl)-3-(2,5-dioxo-2,5-dihydropyrrol-1-yl)-1-(4- methoxyphenyl)azetidin-2-one","","- C20 H15 Cl N2 O4 -","- C20 H15 Cl N2 O4 -","- C80 H60 Cl4 N8 O16 -","4","1","CS2007","Ping, Zhang; Na, Liu; Yuan, Li","4-(4-Chlorophenyl)-3-(2,5-dioxo-2,5-dihydropyrrol-1-yl)-1-(4-methoxyphenyl)azetidin-2-one","Acta Crystallographica Section E","2006","62","8","o3523","o3524","10.1107/S1600536806028443","","","0.71073","MoKα","","0.0753","0.0384","","","0.0833","0.0979","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209811","13.167","0.002","11.055","0.002","15.534","0.002","90","","90","","90","","2261.1","0.6","220","1","220","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","catena-Poly[[bis(2,2'-bipyridine-κ^2^N,N')copper(II)]-μ-cyano- dicyanoplatinate(II)-μ-cyano]","","- C24 H16 Cu N8 Pt -","- C24 H16 Cu N8 Pt -","- C96 H64 Cu4 N32 Pt4 -","4","0.5","CS2008","Vavra, Martin; Potočňák, Ivan; Steinborn, Dirk; Wagner, Christoph","<i>catena</i>-Poly[[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-cyano-dicyanoplatinate(II)-μ-cyano]","Acta Crystallographica Section E","2006","62","8","m1895","m1897","10.1107/S1600536806027541","","","0.71073","MoKα","","0.0653","0.0517","","","0.1279","0.1395","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209812","9.7169","0.0002","19.051","0.0004","17.6572","0.0005","90","","93.379","0.01","90","","3262.96","0.14","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Me4N]3[La(NO3)6].MeOH","Tetramethylammonium hexanitratolanthanate(III) methanol solvate","","- C13 H40 La N9 O19 -","- C13 H40 La N9 O19 -","- C52 H160 La4 N36 O76 -","4","1","CS2013","Chesman, Anthony S. R.; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Tetramethylammonium hexanitratolanthanate(III) methanol solvate","Acta Crystallographica Section E","2006","62","8","m1942","m1943","10.1107/S1600536806028480","","","0.71073","MoKα","","0.0935","0.0548","","","0.1267","0.1453","","","","","","1.036","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2209813","7.0724","0.0009","7.2096","0.001","9.1803","0.0012","72.204","0.012","88.516","0.011","85.046","0.011","444.03","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","quinoxaline‒hydroquinone (2/1)","quinoxaline‒benzene-1,4-diol (2/1)","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","1","0.5","CS2015","Kadzewski, Arkadiusz; Gdaniec, Maria","Quinoxaline‒hydroquinone (2/1)","Acta Crystallographica Section E","2006","62","8","o3498","o3500","10.1107/S1600536806028455","","","0.71073","MoKα","","0.0622","0.0449","","","0.1032","0.1118","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209814","11.421","0.002","8.107","0.0014","16.446","0.003","90","","105.345","0.003","90","","1468.5","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-Nitrobenzylideneamino)-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole- 5(4H)-thione","","- C12 H10 N8 O2 S -","- C12 H10 N8 O2 S -","- C48 H40 N32 O8 S4 -","4","1","CV2064","Xiao-Lan Lu; Wen-Zhao Bi; Yu-Qing Shang; Liang-Zhong Xu; Guan-Ping Yu","4-(2-Nitrobenzylideneamino)-3-(1<i>H</i>-1,2,4-triazol-1-ylmethyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2006","62","8","o3189","o3190","10.1107/S1600536806022082","","","0.71073","MoKα","","0.0895","0.0428","","","0.0904","0.1117","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209815","7.389","0.0015","8.152","0.0016","13.66","0.003","90","","94.25","0.03","90","","820.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1H-Benzimidazole-1-carbohydrazonamide","","- C8 H9 N5 -","- C8 H9 N5 -","- C32 H36 N20 -","4","1","CV2070","Sokolov, Andrey V.; Vologzhanina, Anna V.; Purygin, Petr P.","1<i>H</i>-Benzimidazole-1-carbohydrazonamide","Acta Crystallographica Section E","2006","62","8","o3209","o3210","10.1107/S1600536806024949","","","0.71073","MoKα","","0.0591","0.0464","","","0.1392","0.143","","","","","","1.096","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209816","7.412","0.004","13.163","0.007","12.499","0.007","90","","97.701","0.011","90","","1208.5","1.1","243","2","243","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(5,6-Dimethyl-1,2,4-triazin-3-yl)-2-methyl-1H-benzimidazole","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","CV2072","Sokolov, Andrey V.; Vologzhanina, Anna V.; Purygin, Petr P.","1-(5,6-Dimethyl-1,2,4-triazin-3-yl)-2-methyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2006","62","8","o3211","o3212","10.1107/S1600536806025347","","","0.71073","MoKα","","0.0872","0.0576","","","0.155","0.1733","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209817","12.788","0.0019","6.7749","0.001","26.859","0.004","90","","92.118","0.002","90","","2325.4","0.6","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5-tert-Butyl-3-{[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2- dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yloxy]methyl}-2- hydroxybenzaldehyde","","- C24 H34 O8 -","- C24 H34 O8 -","- C96 H136 O32 -","4","2","CV2074","Zhao, Shan-Shan; Zhao, Ji-Quan; Li, Jian-Xun; Wang, Qian; Zhao, Dong-Min","5-<i>tert</i>-Butyl-3-{[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[3,4-<i>d</i>][1,3]dioxol-4-yloxy]methyl}-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2006","62","8","o3372","o3373","10.1107/S1600536806026821","","","0.7107","MoKα","","0.0507","0.041","","","0.0971","0.1037","","","","","","0.999","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209818","18.116","0.004","7.3783","0.0015","11.799","0.002","90","","105.17","0.03","90","","1522.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(N-Ferrocenylmethyl)dimethylammonium chloride dihydrate","","- C13 H22 Cl Fe N O2 -","- C13 H22 Cl Fe N O2 -","- C52 H88 Cl4 Fe4 N4 O8 -","4","1","CV2077","Guo, Hong-Xu; Zhou, Xiu-Juan; Lin, Zhi-Xing; Liu, Jia-Ming","(<i>N</i>-Ferrocenylmethyl)dimethylammonium chloride dihydrate","Acta Crystallographica Section E","2006","62","8","m1770","m1772","10.1107/S1600536806025645","","","0.71073","MoKα","","0.0526","0.032","","","0.0678","0.0711","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209819","10.336","0.002","7.477","0.0015","11.76","0.002","90","","101.61","0.03","90","","890.2","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","8α,9α-Epoxy-7-oxoroyleanon","","- C20 H26 O5 -","- C20 H26 O5 -","- C40 H52 O10 -","2","1","CV2078","Li Wu; Yang Lu; Qi-Tai Zheng; Xiao-Li Li; Qin-Shi Zhao","8α,9α-Epoxy-7-oxoroyleanon","Acta Crystallographica Section E","2006","62","8","o3269","o3270","10.1107/S1600536806025657","","","0.71073","MoKα","","0.0654","0.0599","","","0.1484","0.1524","","","","","","1.086","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209820","7.0957","0.0014","13.152","0.003","9.3478","0.0019","90","","101.11","0.03","90","","856","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-[(1H-1,2,4-Triazol-1-yl)methyl]-1,3,4-thiadiazole-2(3H)-thione","","- C5 H5 N5 S2 -","- C5 H5 N5 S2 -","- C20 H20 N20 S8 -","4","1","CV2079","Zhi-Qiang Hu; Ya-Xun Yang; Yu-Qing Shang; Kai Zhou; Liang-Zhong Xu","5-[(1<i>H</i>-1,2,4-Triazol-1-yl)methyl]-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2006","62","8","o3457","o3458","10.1107/S1600536806027267","","","0.71073","MoKα","","0.0732","0.0566","","","0.1384","0.1457","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209821","9.795","0.003","4.779","0.0013","14.951","0.004","90","","108.275","0.005","90","","664.6","0.3","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","3-[3-(4-methoxybenzoyl)thioureido]propionic acid","","- C12 H14 N2 O4 S -","- C12 H14 N2 O4 S -","- C24 H28 N4 O8 S2 -","2","1","CV2082","Ngah, Nurziana; Darman, Najiha; Yamin, Bohari M.","3-[3-(4-Methoxybenzoyl)thioureido]propionic acid","Acta Crystallographica Section E","2006","62","8","o3369","o3371","10.1107/S1600536806026833","","","0.71073","MoKα","","0.048","0.043","","","0.103","0.106","","","","","","1.15","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209822","15.479","0.003","8.569","0.0017","17.919","0.004","90","","98.37","0.03","90","","2351.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2-(2-{1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2- (dimethylamino)vinyloxy}phenyl)-3-(dimethylamino)acrylate","","- C24 H25 Br N4 O4 -","- C24 H25 Br N4 O4 -","- C96 H100 Br4 N16 O16 -","4","1","DN2044","Liu, Zhi-Qian; Liu, Zhi-Qian; Yan, Xiao-Chen; Wang, Hai-Bo","Methyl 2-(2-{1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyloxy}phenyl)-3-(dimethylamino)acrylate","Acta Crystallographica Section E","2006","62","8","o3467","o3468","10.1107/S1600536806022276","","","0.71073","MoKα","","0.1888","0.0688","","","0.1278","0.1724","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209823","9.736","0.002","14.089","0.003","9.398","0.002","90","","118.263","0.002","90","","1135.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-(2-Ammonioethyl)ethane-1,2-diaminium di-μ~2~-oxalato-bis[aquaoxalatocuprate(II)]","","- C14 H26 Cu2 N4 O18 -","- C14 H26 Cu2 N4 O18 -","- C28 H52 Cu4 N8 O36 -","2","0.5","DN2046","Zhu, Miao-Li","<i>N</i>,<i>N</i>'-(2-Ammonioethyl)ethane-1,2-diaminium di-μ-oxalato-bis[aquaoxalatocuprate(II)]","Acta Crystallographica Section E","2006","62","8","m1985","m1987","10.1107/S1600536806028893","","","0.71073","MoKα","","0.0369","0.0314","","","0.0777","0.0794","","","","","","0.982","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209824","7.42","0.004","7.502","0.005","13.265","0.004","90.14","0.06","102.73","0.04","104.27","0.05","696.8","0.7","296","","296","","","","","","","","","6","P -1","-P 1","2","","Bis(2,3-dimethylanilinium) diaquabis[dihydrogendiphosphato(2-)]cobalt(II)","","- C16 H32 Co N2 O16 P4 -","- C16 H32 Co N2 O16 P4 -","- C16 H32 Co N2 O16 P4 -","1","0.5","DN2055","Ahmed, Selmi; Samah, Akriche; Mohamed, Rzaigui","Bis(2,3-dimethylanilinium) diaquabis[dihydrogendiphosphato(2{-})]cobaltate(II)","Acta Crystallographica Section E","2006","62","8","m1796","m1798","10.1107/S1600536806025761","","","0.5608","AgKα","","0.0339","0.0267","","","0.073","0.0759","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209825","10.763","0.004","11.066","0.006","12.051","0.004","98.02","0.03","116.33","0.03","94.746","0.019","1256.8","1","298","1","298","1","","","","","","","","5","P -1","-P 1","2","","Methyl 4-{2-chloro-4-[2-(4,6-dimethoxypyrimidin-2-yloxy)benzylamino]phenoxy}benzoate","","- C27 H24 Cl N3 O6 -","- C27 H24 Cl N3 O6 -","- C54 H48 Cl2 N6 O12 -","2","1","ER2005","Zheng-Bo Chen; Jun Wu; Pei-Zhi Zhang; Dong-Dong Wu","Methyl 4-{2-chloro-4-[2-(4,6-dimethoxypyrimidin-2-yloxy)benzylamino]phenoxy}benzoate","Acta Crystallographica Section E","2006","62","8","o3285","o3286","10.1107/S1600536806025189","","","0.71075","MoKα","","0.0712","0.0464","","","0.1238","0.1356","","","","","","1.077","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209826","20.574","0.004","8.4773","0.0017","16.859","0.003","90","","127.12","0.03","90","","2344.6","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[μ-2-(1H-imidazol-2-yl)phenolato]bis[chloromethanolcopper(II)]","","- C20 H22 Cl2 Cu2 N4 O4 -","- C20 H22 Cl2 Cu2 N4 O4 -","- C80 H88 Cl8 Cu8 N16 O16 -","4","0.5","ER2011","He, Hong-Shan","Bis[μ-2-(1<i>H</i>-imidazol-2-yl)phenolato]bis[chloromethanolcopper(II)]","Acta Crystallographica Section E","2006","62","8","m1782","m1783","10.1107/S1600536806022720","","","0.71073","MoKα","","0.1021","0.0364","","","0.0653","0.0841","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209827","12.376","0.003","7.041","0.0016","17.945","0.006","90","","97.853","0.012","90","","1549.1","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-acetoxy-6-(dimethylamino)-2-naphthoate","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","EZ2008","Du, Zhi-Qiang; Huang, Zhi-Qiang; Du, Guan-Sheng; Jiang, Xuan-Zhen","Ethyl 4-acetoxy-6-(dimethylamino)-2-naphthoate","Acta Crystallographica Section E","2006","62","8","o3469","o3470","10.1107/S1600536806023397","","","0.71075","MoKα","","0.051","0.042","","","0.129","0.135","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209828","8.508","0.0017","15.479","0.003","8.142","0.0016","90","","112.96","0.03","90","","987.3","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Acetone (2-nitrophenyl)hydrazone","","- C9 H11 N3 O2 -","- C9 H11 N3 O2 -","- C36 H44 N12 O8 -","4","1","EZ2009","Fang-Fang Jian; Rui-Rui Zhuang; Ke-Fei Wang; Pu-Su Zhao; Hai-Lian Xiao","Acetone (2-nitrophenyl)hydrazone","Acta Crystallographica Section E","2006","62","8","o3198","o3199","10.1107/S1600536806025074","","","0.71073","MoKα","","0.093","0.048","","","0.134","0.16","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209829","7.6337","0.0012","8.58","0.0013","27.199","0.004","90","","97","0.002","90","","1768.2","0.5","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","<i>N,N'</i>-1,2-Phenylenebis(<i>N,N,N',N'</i>- tetramethyl)guanidine","","","- C16 H28 N6 -","- C16 H28 N6 -","- C64 H112 N24 -","4","1","EZ2011","Kawahata, Masatoshi; Yamaguchi, Kentaro; Ito, Tomoya; Ishikawa, Tsutomu","2,2'-<i>o</i>-Phenylenebis(1,3-dimethylguanidine)","Acta Crystallographica Section E","2006","62","8","o3301","o3302","10.1107/S1600536806026365","","","0.71073","MoKα","","0.064","0.047","","","0.125","0.137","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209830","8.2152","0.0003","14.0713","0.0005","13.5731","0.0005","90","","95.19","0.002","90","","1562.6","0.1","120","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cl4 Co N4 -","- C10 H14 Cl4 Co N4 -","- C40 H56 Cl16 Co4 N16 -","4","0.5","EZ2012","Samuel Robinson Jebas; Thailampillai Balasubramanian; Mark E Light","Bis(2-aminopyridinium) tetrachlorocobalt(II)","Acta Crystallographica Section E","2006","62","8","m1818","m1819","10.1107/S1600536806026213","","","0.71073","MoKα","","","0.028","","","","0.119","","","","","","1.26","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209831","5.242","0.002","11.209","0.002","12.082","0.002","83.3","0.02","80.62","0.02","83.66","0.02","692.6","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","2,6-Dimethylmorpholin-4-yl 3,5-dimethyl-1H-pyrazole thioketone","","- C12 H19 N3 O S -","- C12 H19 N3 O S -","- C24 H38 N6 O2 S2 -","2","1","EZ2013","Gerimário F. de Sousa; Inês S. Resck; Lariucci, Carlito; Sabino, Jose R.","2,6-Dimethylmorpholin-4-yl 3,5-dimethyl-1<i>H</i>-pyrazole thioketone","Acta Crystallographica Section E","2006","62","8","o3366","o3368","10.1107/S1600536806026730","","","1.5418","CuKα","","0.099","0.081","","","0.23","0.248","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209832","10.0509","0.0014","10.334","0.0015","14.075","0.002","90","","90","","90","","1461.9","0.4","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(4<i>R</i>,5<i>R</i>)-1,3-Dimethyl- 4,5-diphenylimidazolidin-2-one","(4R,5R)-1,3-Dimethyl-4,5-diphenylimidazolidin-2-one","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","EZ2015","Kawahata, Masatoshi; Saito, Noriko; Ishikawa, Tsutomu; Yamaguchi, Kentaro","(4<i>R</i>,5<i>R</i>)-1,3-Dimethyl-4,5-diphenylimidazolidin-2-one","Acta Crystallographica Section E","2006","62","8","o3488","o3489","10.1107/S1600536806027115","","","0.71073","MoKα","","0.037","0.032","","","0.08","0.083","","","","","","1.18","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209833","16.341","0.0014","16.341","0.0014","88.12","0.06","90","","90","","120","","20378","14","170","2","170","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","diethyl 1H-pyrazole-3,5-dicarboxylate 0.33-hydrate","","- C9 H12.67 N2 O4.33 -","- C9 H12.6667 N2 O4.33333 -","- C648 H912 N144 O312 -","72","2","FB2003","Foces-Foces, Concepción; Rodríguez, Matias L.; Elguero, José","Supramolecular assembly of diethyl 1<i>H</i>-pyrazole-3,5-dicarboxylate 0.33-hydrate","Acta Crystallographica Section E","2006","62","8","o3351","o3353","10.1107/S1600536806025918","","","0.71073","MoKα","","0.2229","0.0856","","","0.1552","0.1983","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209834","8.1881","0.0011","7.0491","0.001","14.094","0.002","90","","100.553","0.002","90","","799.73","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(3-Methoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","1","FB2007","Yong-Hong Wen; Hui-Ling Wen; Xue-Mei Li; Li-Li Xu; Shu-Sheng Zhang","<i>N</i>-(3-Methoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate","Acta Crystallographica Section E","2006","62","8","o3414","o3415","10.1107/S1600536806027140","","","0.71073","MoKα","","0.0683","0.0469","","","0.0895","0.0975","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209835","9.1465","0.0012","7.3137","0.0007","10.2852","0.0013","90","","93.353","0.01","90","","686.85","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,2-Bis(p-nitrophenyloxy)ethylene","1,2-Bis(p-nitrophenoxy)ethylene","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C28 H24 N4 O12 -","2","0.5","FB2009","Butt, M. Saeed; Khawar Rauf, M.; Bolte, Michael; Akhter, Zareen; Zafar-uz-Zaman, M.","1,2-Bis(<i>p</i>-nitrophenoxy)ethane","Acta Crystallographica Section E","2006","62","8","o3440","o3442","10.1107/S1600536806027395","","","0.71073","MoKα","","0.0388","0.0361","","","0.1","0.1025","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209836","7.4985","0.001","10.505","0.002","12.782","0.002","82.102","0.009","73.795","0.01","87.186","0.011","957.6","0.3","110","","110","","","","","","","","","4","P -1","-P 1","2","","4-[2-(9-anthryl)-2-hydroxyethyl]-4'-methyl-trans-2,2'-bipyridine","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C54 H44 N4 O2 -","2","1","FL2033","Benites, Maria Del Rosario; Watkins, Steven F.; Fronczek, Frank R.","4-[2-(9-Anthryl)-2-hydroxyethyl]-4'-methyl-<i>trans</i>-2,2'-bipyridine: a ligand with 2,2'-bipyridine and anthracene subunits","Acta Crystallographica Section E","2006","62","8","o3147","o3148","10.1107/S1600536806024585","","","0.71073","MoKα","","0.087","0.054","","","0.138","0.157","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209837","5.9624","0.0004","8.8288","0.0006","29.4086","0.0019","90","","90","","90","","1548.09","0.18","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-4,5-Diphenylimidazolidinium-2-carboxylate methanol solvate","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","FL2034","Biskupska, Inga; Gdaniec, Maria","(4<i>R</i>,5<i>R</i>)-4,5-Diphenylimidazolidinium-2-carboxylate methanol solvate","Acta Crystallographica Section E","2006","62","8","o3271","o3273","10.1107/S1600536806025955","","","0.71073","MoKα","","0.0509","0.0456","","","0.089","0.0911","","","","","","1.158","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209838","9.6924","0.0005","15.9437","0.001","10.1267","0.0006","90","","95.089","0.004","90","","1558.74","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Nitro-1-(triisopropylsilyl)-1H-pyrrole","","- C13 H24 N2 O2 Si -","- C13 H24 N2 O2 Si -","- C52 H96 N8 O8 Si4 -","4","1","FL2035","Alan R. Kennedy; Abedawn I. Khalaf; Colin J. Suckling; Roger D. Waigh","3-Nitro-1-(triisopropylsilyl)-1<i>H</i>-pyrrole","Acta Crystallographica Section E","2006","62","8","o3282","o3284","10.1107/S1600536806025943","","","0.71073","MoKα","","0.1414","0.0587","","","0.0999","0.1231","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209839","8.998","0.002","10.043","0.002","10.098","0.002","119.045","0.003","100.581","0.004","99.473","0.003","749.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2,4,6-Tris(dimethylamino)-1,3,5-trimethylborazine","","- C9 H27 B3 N6 -","- C9 H27 B3 N6 -","- C18 H54 B6 N12 -","2","1","FL2036","Rodriguez, Mark A.; Borek, Theodore T.","2,4,6-Tris(dimethylamino)-1,3,5-trimethylborazine","Acta Crystallographica Section E","2006","62","8","o3341","o3343","10.1107/S1600536806026560","","","0.71073","MoKα","","0.0496","0.0453","","","0.1344","0.1386","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209840","11.8573","0.0012","13.7774","0.0013","17.3795","0.0017","90","","99.396","0.002","90","","2801.1","0.5","292","2","292","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1-(4-Bromobenzoyl)-3-(5-trifluoromethyl-1,3,4-thiadiazol-2-yl)urea","","- C11 H6 Br F3 N4 O2 S -","- C11 H6 Br F3 N4 O2 S -","- C88 H48 Br8 F24 N32 O16 S8 -","8","2","GH2008","Gong, Yin-Xiang; Yang, Xiao-Hong","1-(4-Bromobenzoyl)-3-(5-trifluoromethyl-1,3,4-thiadiazol-2-yl)urea","Acta Crystallographica Section E","2006","62","8","o3193","o3194","10.1107/S1600536806025049","","","0.71073","MoKα","","0.0896","0.0434","","","0.1022","0.1147","","","","","","0.947","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209841","8.1699","0.0007","19.7209","0.0017","12.2323","0.0011","90","","95.783","0.002","90","","1960.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichloro{(E)-2,4,6-trimethyl-N-[1-(2-pyridyl)ethylidene]aniline- κ^2^N,N'}palladium(II) acetonitrile solvate","","- C18 H21 Cl2 N3 Pd -","- C18 H21 Cl2 N3 Pd -","- C72 H84 Cl8 N12 Pd4 -","4","1","GK2017","Hsueh, Mao-Lin; Su, Sheng-Yuan; Lin, Chu-Chieh","Dichloro{(<i>E</i>)-2,4,6-trimethyl-<i>N</i>-[1-(2-pyridyl)ethylidene]aniline-κ^2^<i>N</i>,<i>N</i>'}palladium(II) acetonitrile solvate","Acta Crystallographica Section E","2006","62","8","m1784","m1786","10.1107/S1600536806024950","","","0.71073","MoKα","","0.0536","0.0388","","","0.1027","0.1102","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209842","7.006","0.002","14.897","0.004","23.997","0.006","79.96","0.011","81.661","0.01","80.28","0.011","2413.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Methyl-1-(1-phenylethyl)pyridinium bis(1,2-dicyanoethene-1,2-dithiolato)nickel(III)","","- C22 H16 N5 Ni S4 -","- C22 H16 N5 Ni S4 -","- C88 H64 N20 Ni4 S16 -","4","2","GK2018","Chun-Lin Ni; Ming-Guo Liu","3-Methyl-1-(1-phenylethyl)pyridinium bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(III)","Acta Crystallographica Section E","2006","62","8","m1751","m1753","10.1107/S1600536806025281","","","0.71073","MoKα","","0.1011","0.0675","","","0.1638","0.1735","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209843","9.486","0.0006","13.2425","0.0008","13.4771","0.0008","81.447","0.005","70.786","0.005","72.502","0.005","1522.36","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(3-aminopyridine-κN^1^)dioxorhenium(V) iodide 3-aminopyridine solvate dihydrate","","- C25 H34 I N10 O4 Re -","- C25 H34 I N10 O4 Re -","- C50 H68 I2 N20 O8 Re2 -","2","1","HB2081","Kochel, Andrzej","Tetrakis(3-aminopyridine-κ<i>N</i>^1^)dioxorhenium(V) iodide 3-aminopyridine solvate dihydrate","Acta Crystallographica Section E","2006","62","8","m1740","m1742","10.1107/S1600536806024603","","","0.71073","MoKα","","0.07","0.0378","","","0.0717","0.077","","","","","","0.927","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2209844","10.0296","0.0014","12.7262","0.0017","11.4028","0.0016","90","","98.942","0.002","90","","1437.7","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","(2S,3a'R,4'R,5'S,6'R)-4',5'-isoprolidenedioxy-6'-(trityloxymethyl) -2'-oxotetrahydro-1H-spiro[pyrrolidine-2,3'-pyrrolo[1,2-b]isoxazole] -1-carbaldehyde","(2S,3a'R,4'R,5'S,6'R)-4',5'-Isoprolidenedioxy-6'-(trityloxymethyl)-2'- oxotetrahydro-1<i>H</i>-spiro[pyrrolidine-2,3'- pyrrolo[1,2-<i>b</i>]isoxazole]-1-carbaldehyde","","- C33 H34 N2 O6 -","- C33 H34 N2 O6 -","- C66 H68 N4 O12 -","2","1","HB2085","Chu-Yi Yu; Ying Fu","(2<i>S</i>,3a'<i>R</i>,4'<i>R</i>,5'<i>S</i>,6'<i>R</i>)-4',5'-Isoprolidenedioxy-6'-(trityloxymethyl)-2'-oxotetrahydro-1<i>H</i>-spiro[pyrrolidine-2,3'-pyrrolo[1,2-<i>b</i>]isoxazole]-1-carbaldehyde","Acta Crystallographica Section E","2006","62","8","o3172","o3173","10.1107/S1600536806024500","","","0.71073","MoKα","","0.0788","0.0396","","","0.0821","0.1018","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209845","12.199","0.004","12.397","0.004","13.712","0.004","105.282","0.005","101.099","0.005","106.854","0.005","1831.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,8,14,20-Tetra(phenyl)pyrogallol[4]arene","2,8,14,20-Tetraphenylpyrogallol[4]arene dimethylformamide octasolvate","","- C76 H96 N8 O20 -","- C76 H96 N8 O20 -","- C76 H96 N8 O20 -","1","0.5","HB2095","Jorden Paul Kass; Cesar H. Zambrano; Matthias Zeller; Allen D. Hunter; Eric Efrain Dueno","2,8,14,20-Tetraphenylpyrogallol[4]arene dimethylformamide octasolvate","Acta Crystallographica Section E","2006","62","8","o3179","o3180","10.1107/S160053680602469X","","","0.71073","MoKα","","0.0942","0.0579","","","0.1498","0.1691","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209846","12.45","0.002","7.1208","0.0014","9.7342","0.0019","90","","111.492","0.004","90","","803","0.3","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquanickel(II) bis(dimethyl phosphate)","","- C4 H24 Ni O14 P2 -","- C4 H24 Ni O14 P2 -","- C8 H48 Ni2 O28 P4 -","2","0.5","HB2097","Rafizadeh, M; Amani, V.","Hexaaquanickel(II) bis(dimethyl phosphate)","Acta Crystallographica Section E","2006","62","8","m1776","m1777","10.1107/S1600536806025050","","","0.71073","MoKα","","0.0554","0.0363","","","0.0794","0.0849","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209847","7.3813","0.0015","10.044","0.002","14.052","0.003","95.71","0.03","94.42","0.03","109.47","0.03","970.6","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","bis(μ-pyridine-2,5-dicarboxylato)bis[aqua(pyrazino[2,3- f][1,10]phenanthroline)manganese(II)] dihydrate","","- C42 H30 Mn2 N10 O12 -","- C42 H30 Mn2 N10 O12 -","- C42 H30 Mn2 N10 O12 -","1","0.5","HB2098","Guang-Bo Che; Chun-Bo Liu","A new dinuclear Mn^II^ compound with intermolecular π‒π interactions","Acta Crystallographica Section E","2006","62","8","m1728","m1730","10.1107/S1600536806024871","","","0.71073","MoKα","","0.1282","0.0642","","","0.1165","0.1377","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209848","7.768","0.0018","11.923","0.002","12.208","0.004","63.03","0.02","74.37","0.02","79.22","0.017","967.7","0.5","110","","110","","","","","","","","","5","P -1","-P 1","2","","Poly[tetrakis(4-aminopyridinium) [hexadeca-μ-oxo-decaoxooctamolybdate]]","","- C20 H28 Mo8 N8 O26 -","- C20 H28 Mo8 N8 O26 -","- C20 H28 Mo8 N8 O26 -","1","0.5","HB2099","Nelson, James R.; Narducci Sarjeant, Amy; Norquist, Alexander J.","Poly[tetrakis(4-aminopyridinium) [hexadeca-μ-oxo-decaoxooctamolybdate(VI)]]","Acta Crystallographica Section E","2006","62","8","m1731","m1733","10.1107/S160053680602486X","","","0.71073","MoKα","","0.0407","0.0215","","0.0465","0.0465","0.0465","","","","","","0.8827","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209849","13.414","0.002","9.2478","0.0014","19.28","0.003","90","","99.106","0.005","90","","2361.5","0.6","97","2","97","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-phenyl-N-(2-pyridylmethyl)acetamide","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C112 H112 N16 O8 -","8","2","HB2100","Whiteaker, Laura R.; Pal Chaudhuri, Urmila; Powell, Douglas R.; Houser, Robert P.","2-Phenyl-<i>N</i>-(2-pyridylmethyl)acetamide","Acta Crystallographica Section E","2006","62","8","o3337","o3338","10.1107/S1600536806026092","","","0.71073","MoKα","","0.0348","0.0334","","","0.0878","0.089","","","","","","1.002","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2209850","8.6013","0.0011","17.895","0.002","13.4072","0.0017","90","","106.657","0.002","90","","1977","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2,2-triphenyl-N-(2-pyridylmethyl)acetamide","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C104 H88 N8 O4 -","4","1","HB2101","Whiteaker, Laura R.; Pal Chaudhuri, Urmila; Powell, Douglas R.; Houser, Robert P.","2,2,2-Triphenyl-<i>N</i>-(2-pyridylmethyl)acetamide","Acta Crystallographica Section E","2006","62","8","o3339","o3340","10.1107/S1600536806026109","","","0.71073","MoKα","","0.038","0.036","","","0.0906","0.0923","","","","","","1.008","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2209851","7.9687","0.0003","7.9687","0.0003","17.7213","0.0011","90","","90","","90","","1125.31","0.09","295","2","295","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Poly[zinc(II)-μ~2~-4,4'-bipyridine-di-μ~2~-formato]","","- C12 H10 N2 O4 Zn -","- C12 H10 N2 O4 Zn -","- C48 H40 N8 O16 Zn4 -","4","0.5","HB2103","Miao, Xiao-He; Xiao, Hong-Ping; Zhu, Long-Guan","Poly[zinc(II)-μ~2~-4,4'-bipyridine-di-μ~2~-formato]: a chiral three-dimensional coordination polymer","Acta Crystallographica Section E","2006","62","8","m1756","m1757","10.1107/S1600536806025724","","","0.71073","MoKα","","0.0198","0.0194","","","0.0575","0.0586","","","","","","0.872","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209852","6.2265","0.0012","14.862","0.003","19.561","0.004","90","","90","","90","","1810.1","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C84 H104 O12 -","4","1","HB2104","Xiaohong, Wu; Wang, Yongli; Zhou,Lina","11β-Hydroxypregna-1,4,16-triene-3,20-dione","Acta Crystallographica Section E","2006","62","8","o3299","o3300","10.1107/S1600536806026341","","","0.71073","MoKα","","0.0566","0.0418","","","0.1023","0.1089","","","","","","1.096","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209853","9.6613","0.0019","11.102","0.002","12","0.002","67.66","0.03","71","0.03","71.65","0.03","1098.5","0.5","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","Chlorobis(1,10-phenanthroline-κ^2^N,N')zinc(II) nitrate monohydrate","","- C24 H18 Cl N5 O4 Zn -","- C24 H18 Cl N5 O4 Zn -","- C48 H36 Cl2 N10 O8 Zn2 -","2","1","HB2106","Chun-Hui Yu; Rong-Chang Zhang","Chlorobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) nitrate monohydrate","Acta Crystallographica Section E","2006","62","8","m1758","m1759","10.1107/S1600536806025840","","","0.71073","MoKα","","0.0443","0.038","","","0.1047","0.1084","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209854","14.7186","0.0015","11.1667","0.0011","15.2229","0.0015","90","","106.493","0.001","90","","2399.1","0.4","104","2","104","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(pentamethylcyclopentadienyl)[(trimethylsilyl)methyl]scandium(III)","","- C24 H41 Sc Si -","- C24 H41 Sc Si -","- C96 H164 Sc4 Si4 -","4","1","HG2040","Minasian, Stefan G.; Rinehart, Jeffrey D.; Patrick Bazinet; Seitz, Michael","Bis(pentamethylcyclopentadienyl)[(trimethylsilyl)methyl]scandium(III)","Acta Crystallographica Section E","2006","62","8","m1823","m1824","10.1107/S1600536806026602","","","0.71073","MoKα","","0.048","0.0374","","","0.0969","0.1029","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209855","7.311","0.0015","16.274","0.003","13.802","0.003","90","","97.77","0.03","90","","1627.1","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","hexaethylguanidinium chloride","Hexaethylguanidinium chloride","","- C13 H30 Cl N3 -","- C13 H30 Cl N3 -","- C52 H120 Cl4 N12 -","4","0.5","HG2047","Ya-Ming Wu; Guang-Liang Song; Ke-Le Wang; Jing Heng; Hong-Jun Zhu","Hexaethylguanidinium chloride","Acta Crystallographica Section E","2006","62","8","o3519","o3520","10.1107/S1600536806028364","","","0.71073","MoKα","","0.0702","0.0492","","","0.1238","0.139","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209856","19.249","0.003","5.7607","0.0008","7.62","0.001","90","","96.312","0.002","90","","839.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,2-Bis(5-Bromo-salicylideneaminooxy)ethane","4,4-Dibromo-2,2'-[ethylenedioxybis(nitrilomethylidyne)]diphenol","","- C16 H14 Br2 N2 O4 -","- C16 H14 Br2 N2 O4 -","- C32 H28 Br4 N4 O8 -","2","0.5","HG2052","Wen-Kui Dong; Jian-Hua Feng","4,4'-Dibromo-2,2'-[ethylenedioxybis(nitrilomethylidyne)]diphenol","Acta Crystallographica Section E","2006","62","8","o3577","o3578","10.1107/S1600536806028637","","","0.71073","MoKα","","0.0381","0.0301","","","0.0792","0.0829","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209857","10.7593","0.0006","18.6163","0.0011","17.5744","0.001","90","","101.029","0.002","90","","3455.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(η^6^-Benzene)dichloro[tris(2-isopropylphenyl)phosphite]ruthenium(II) dichloromethane solvate","","- C34 H41 Cl4 O3 P Ru -","- C34 H41 Cl4 O3 P Ru -","- C136 H164 Cl16 O12 P4 Ru4 -","4","1","HG2055","Meijboom, Reinout; Muller, Alfred; Roodt, Andreas","(η^6^-Benzene)dichloro[tris(2-isopropylphenyl) phosphite]ruthenium(II) dichloromethane solvate","Acta Crystallographica Section E","2006","62","8","m1866","m1868","10.1107/S1600536806025256","","","0.71073","MoKα","","","0.023","","","","0.0576","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209858","8.3661","0.0015","8.5562","0.0016","12.837","0.002","95.555","0.005","96.244","0.004","109.664","0.004","851.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-O)bis[2-(dimethylamino)ethanol-κ^2^N,O]cobalt(II)","","- C12 H28 Co N2 O6 -","- C12 H28 Co N2 O6 -","- C24 H56 Co2 N4 O12 -","2","1","HG2056","Tahir, Asif A.; Hamid, Mazhar; Mazhar, Muhammad; Zeller, Matthias; Hunter, Allen D.","Bis(acetato-<i>O</i>)bis[2-(dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>]cobalt(II)","Acta Crystallographica Section E","2006","62","8","m1974","m1976","10.1107/S1600536806028649","","","0.71073","MoKα","","0.0375","0.0357","","","0.0927","0.0933","","","","","","1.147","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209859","17.9743","0.0002","10.2389","0.0001","16.5413","0.0002","90","","120.915","0.0006","90","","2611.71","0.05","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(4-Methoxybenzyl)-1H-indole-3-carbaldehyde","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","HG2058","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","1-(4-Methoxybenzyl)-1<i>H</i>-indole-3-carbaldehyde","Acta Crystallographica Section E","2006","62","8","o3231","o3232","10.1107/S1600536806025268","","","0.71073","MoKα","","0.0622","0.0428","","","0.1019","0.1124","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209860","11.043","0.001","18.041","0.004","6.465","0.002","90","","99.99","0.003","90","","1268.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-(cyclohexyliminomethyl)-6-methoxyphenolato]nickel(II)","","- C28 H36 N2 Ni O4 -","- C28 H36 N2 Ni O4 -","- C56 H72 N4 Ni2 O8 -","2","0.5","HG2059","Chenyi Wang","Bis[2-(cyclohexyliminomethyl)-6-methoxyphenolato]nickel(II)","Acta Crystallographica Section E","2006","62","8","m1754","m1755","10.1107/S1600536806025062","","","0.71073","MoKα","","0.1136","0.0628","","","0.1419","0.163","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209861","10.487","0.002","10.87","0.003","15.319","0.004","90","","98.999","0.005","90","","1724.8","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichloro(N,N'-diethyldithiocarbamato-κ^2^S,S)(4-methylpentan-2-onato- κ^2^C^4^,O)tin(IV)","","- C11 H21 Cl2 N O S2 Sn -","- C11 H21 Cl2 N O S2 Sn -","- C44 H84 Cl8 N4 O4 S8 Sn4 -","4","1","HG2061","Tiekink, Edward R. T.; Wardell, James L.; Welte, William B.","Dichloro(<i>N</i>,<i>N</i>'-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(4-methylpentan-2-onato-κ^2^<i>C</i>^4^,<i>O</i>)tin(IV)","Acta Crystallographica Section E","2006","62","8","m1763","m1765","10.1107/S160053680602544X","","","0.7107","MoKα","","0.021","0.021","","","0.057","0.057","","","","","","1.2","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209862","10.06","0.001","13.387","0.002","22.398","0.003","90","","95.563","0.002","90","","3002.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{1-[2-(Methylamino)ethyliminomethyl]naphthalen-2-olato}thiocyanatonickel(II)","","- C15 H15 N3 Ni O S -","- C15 H15 N3 Ni O S -","- C120 H120 N24 Ni8 O8 S8 -","8","2","HG2062","Zhu, Chuan-Gao; Wang, Feng-Wu; Wei, Yi-Jun","{1-[2-(Methylamino)ethyliminomethyl]naphthalen-2-olato}thiocyanatonickel(II)","Acta Crystallographica Section E","2006","62","8","m1816","m1817","10.1107/S1600536806026614","","","0.71073","MoKα","","0.0749","0.0507","","","0.1186","0.1321","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209863","18.0213","0.0015","6.8755","0.0006","30.352","0.003","90","","94.518","0.002","90","","3749.1","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","{(E)-2-[2-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4- yliminomethyl)phenoxy]acetic acid monohydrate","","- C20 H21 N3 O5 -","- C20 H21 N3 O5 -","- C160 H168 N24 O40 -","8","1","HG2063","Hu, Rong-Hua; Fang, Xiao-Niu; Sui, Yan; Luo, Qiu-Yan; Zou, Meng-Qiang","(<i>E</i>)-2-[2-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1<i>H</i>-pyrazol-4-yliminomethyl)phenoxy]acetic acid monohydrate","Acta Crystallographica Section E","2006","62","8","o3558","o3560","10.1107/S1600536806028352","","","0.71073","MoKα","","0.1236","0.0516","","","0.1091","0.1265","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209864","11.66","0.004","7.4","0.003","16.632","0.006","90","","91.654","0.006","90","","1434.5","0.9","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","Dammaradienyl acetate","4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate","","- C32 H52 O2 -","- C32 H52 O2 -","- C64 H104 O4 -","2","1","HG2064","Rui Liu; Xiao-Bing Wang; Ling-Yi Kong","Dammaradienyl acetate","Acta Crystallographica Section E","2006","62","8","o3544","o3546","10.1107/S1600536806028340","","","0.71073","MoKα","","0.1123","0.0562","","","0.1565","0.192","","","","","","0.996","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209865","24.2385","0.0012","8.3306","0.0013","20.1928","0.0014","90","","102.113","0.003","90","","3986.6","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[N,N'-Bis(1-benzoylisopropylidene)propane-1,3-diamine(2-)]copper(II)","","- C23 H24 Cu N2 O2 -","- C23 H24 Cu N2 O2 -","- C184 H192 Cu8 N16 O16 -","8","1","HG2065","Arıcı, Cengiz","[<i>N</i>,<i>N</i>'-Bis(1-benzoylisopropylidene)propane-1,3-diamine(2{-})]copper(II)","Acta Crystallographica Section E","2006","62","8","m1950","m1951","10.1107/S1600536806028315","","","0.71073","MoKα","","0.0492","0.0352","","","0.0941","0.1019","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209866","8.7777","0.0004","12.0851","0.0007","14.4078","0.0007","106.966","0.004","96.868","0.004","104.747","0.004","1382.3","0.13","296","","296","","","","","","","","","5","P -1","-P 1","2","","3,3'-Bis(3-methylbut-2-enyl)-1,1'-propylenedibenzimidazolium dibromide monohydrate","","- C27 H36 Br2 N4 O -","- C27 H36 Br2 N4 O -","- C54 H72 Br4 N8 O2 -","2","1","HG2067","Mehmet Akkurt; Sema Öztürk Yıldırım; Hasan Küçükbay; Nihat Şireci; Orhan Büyükgüngör","3,3'-Bis(3-methylbut-2-enyl)-1,1'-propylenedibenzimidazolium dibromide monohydrate","Acta Crystallographica Section E","2006","62","8","o3512","o3514","10.1107/S1600536806028297","","","0.71073","MoKα","","0.0534","0.0379","","","0.0856","0.0925","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209867","10.617","0.0003","13.2065","0.0003","17.1985","0.0005","90","","102.784","0.001","90","","2351.68","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Benzyl-2,4,6-triphenylpyrylium tetrafluoroborate","","- C30 H23 B F4 O -","- C30 H23 B F4 O -","- C120 H92 B4 F16 O4 -","4","1","HG2068","Jara, Francisco; Domínguez, Moisés; Rezende, Marcos C.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.","3-Benzyl-2,4,6-triphenylpyrylium tetrafluoroborate","Acta Crystallographica Section E","2006","62","8","o3495","o3497","10.1107/S1600536806028285","","","0.71069","MoKα","","0.073","0.055","","","0.132","0.142","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209868","11.63","0.0019","13.432","0.002","24.407","0.004","90","","91.976","0.003","90","","3810.5","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(E)-2-(4-Methoxycarbonylphenyl)ethenyl]-1,1,3,3-tetramethylisoindolin- 2-yloxyl","","- C22 H24 N O3 -","- C22 H24 N O3 -","- C176 H192 N8 O24 -","8","2","HG2069","Keddie, Daniel J.; Bottle, Steven E.; Clegg, Jack K.; McMurtrie, John C.","5-[(<i>E</i>)-2-(4-Methoxycarbonylphenyl)ethenyl]-1,1,3,3-tetramethylisoindolin-2-yloxyl","Acta Crystallographica Section E","2006","62","8","o3535","o3536","10.1107/S1600536806027929","","","0.71073","MoKα","","0.0615","0.0423","","","0.1035","0.1144","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209869","5.446","0.003","10.454","0.007","18.386","0.012","77.94","0.03","88.97","0.02","78.68","0.02","1003.5","1.1","298","2","","","","","","","","","","4","P -1","-P 1","2","","(E)-Dimethyl 4-butylamino-5-(4-methylstyryl)furan-2,3-dicarboxylate","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C42 H50 N2 O10 -","2","1","HG2071","Yi, Zhang; Ma, Cheng","(<i>E</i>)-Dimethyl 4-butylamino-5-(4-methylstyryl)furan-2,3-dicarboxylate","Acta Crystallographica, Section E: Structure Reports Online","2006","62","8","o3568","o3569","10.1107/S1600536806028327","","","0.71075","MoKα","","","0.0559","","","","0.187","","","","","","1.066","","","","has coordinates,has Fobs","209472","2020-10-21","18:00:00",""
"2209870","4.7771","0.001","26.881","0.005","11.242","0.002","90","","100.72","0.03","90","","1418.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2-Hydroxy-N'-(2-naphthylmethylene)benzohydrazide","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","HG2074","Qiu, Xiao-Yang; Luo, Zhi-Gang; Yang, Sen-Lin; Liu, Wei-Sheng","(<i>E</i>)-2-Hydroxy-<i>N</i>'-(2-naphthylmethylene)benzohydrazide","Acta Crystallographica Section E","2006","62","8","o3531","o3532","10.1107/S1600536806028303","","","0.71073","MoKα","","0.1046","0.044","","","0.105","0.1265","","","","","","0.846","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209871","9.9672","0.0016","10.6954","0.0016","10.7104","0.0016","64.032","0.011","67.438","0.011","86.053","0.012","941.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","1-(2,6-Dichlorobenzoyl)-3-(2-chlorophenyl)thiourea.1/2 Toluene Solvate","1-(2-Chlorophenyl)-3-(2,6-dichlorobenzoyl)thiourea toluene hemisolvate","","- C17.5 H13 Cl3 N2 O S -","- C17.5 H13 Cl3 N2 O S -","- C35 H26 Cl6 N4 O2 S2 -","2","1","HG2076","Khawar Rauf, M.; Badshah, Amin; Bolte, Michael; Imtiaz-ud-Din","1-(2-Chlorophenyl)-3-(2,6-dichlorobenzoyl)thiourea toluene hemisolvate","Acta Crystallographica Section E","2006","62","8","o3553","o3554","10.1107/S1600536806028650","","","0.71073","MoKα","","0.057","0.0482","","","0.1172","0.1231","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2209872","9.938","0.004","11.016","0.006","20.274","0.009","75.24","0.017","79.514","0.013","81.397","0.017","2098","1.7","298","1","","","","","","","","","","5","P -1","-P 1","2","","4-(6-fluoro-1,2- benzisoxazol-3-yl)-1-hydroxy-1-[2-(2-methyl-4-oxo-3,4,6,7,8,9-hexahydro-2H- pyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine","","- C23 H27 F N4 O2 -","- C23 H27 F N4 O2 -","- C92 H108 F4 N16 O8 -","4","2","HK2060","Dan-Hua Wang; Ming-Hua Zhou; Xiu-Rong Hu","Crystalline form B of risperidone","Acta Crystallographica Section E","2006","62","8","o3527","o3528","10.1107/S1600536806027930","","","0.71075","MoKα","","","0.0643","","","","0.1511","","","","","","1.053","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209873","10.438","0.002","13.811","0.003","21.254","0.004","90","","95.6","0.03","90","","3049.3","1.1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[[aquabis(benzene-1,3-dicarboxylato)bis(3-carboxybenzoato)digadolinium(III)] monohydrate], [Gd~2~(C~8~H~4~O~4~)~2~(C~8~H~5~O~4~)~2~(H~2~O)].H~2~O","","- C32 H22 Gd2 O18 -","- C32 H22 Gd2 O18 -","- C128 H88 Gd8 O72 -","4","1","HK2062","Ji-Lin Lu; Da-Shun Zhang; Bei-Ping Liu","Poly[[aquabis(μ-benzene-1,3-dicarboxylato)bis(μ-3-carboxybenzoato)digadolinium(III)] monohydrate]","Acta Crystallographica Section E","2006","62","8","m1760","m1762","10.1107/S160053680602513X","","","0.71073","MoKα","","0.0258","0.023","","","0.051","0.052","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209874","10.4544","0.0007","15.8511","0.001","13.2195","0.0009","90","","94.377","0.001","90","","2184.3","0.3","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ethyl 5-(triphenylphosphoranylidene)-1,2,3-thiadiazole-4-carboxylate","","- C23 H20 N3 O2 P S -","- C23 H20 N3 O2 P S -","- C92 H80 N12 O8 P4 S4 -","4","1","HK2063","Ming-Guo Liu; Yang-Gen Hu","Ethyl 5-(triphenylphosphoranylidene)-1,2,3-thiadiazole-4-carboxylate","Acta Crystallographica Section E","2006","62","8","o3206","o3208","10.1107/S1600536806023403","","","0.71073","MoKα","","0.062","0.0479","","","0.1222","0.1282","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209875","8.6993","0.0008","13.507","0.0014","15.1719","0.0016","107.075","0.005","101.375","0.005","104.174","0.005","1581.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1,10-phenanthrolinium‒2,4,5-tricarboxybenzoate‒2,5-dicarboxybenzene- 1,4-dicarboxylate (2/1/0.5)","","- C78 H50 N8 O24 -","- C78 H50 N8 O24 -","- C78 H50 N8 O24 -","1","0.5","HK2066","Aghabozorg, Hossein; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar","A proton-transfer compound: 1,10-phenanthrolinium‒2,4,5-tricarboxybenzoate‒2,5-dicarboxybenzene-1,4-dicarboxylate (4/2/1)","Acta Crystallographica Section E","2006","62","8","o3174","o3176","10.1107/S1600536806024925","","","0.71073","MoKα","","0.0751","0.0493","","","0.0994","0.1079","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209876","15.222","0.003","6.348","0.0013","12.423","0.003","90","","96.45","0.03","90","","1192.8","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diethyl pyridine-2,6-dicarboxylate","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","0.5","HK2068","Xu-Sheng Gao; Yong-Min Wan; Qin Zhou; Yuan-Xiang Shi; Jin-Tang Wang","Diethyl pyridine-2,6-dicarboxylate","Acta Crystallographica Section E","2006","62","8","o3145","o3146","10.1107/S1600536806024160","","","0.71073","MoKα","","0.0763","0.049","","","0.1468","0.1676","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209877","5.793","0.0012","23.652","0.005","10.466","0.002","90","","91.66","0.03","90","","1433.4","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-[4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene]-2-(imidazol-1- yl)acetonitrile","","- C14 H10 Cl N3 S2 -","- C14 H10 Cl N3 S2 -","- C56 H40 Cl4 N12 S8 -","4","1","HK2069","Lin Yuan; Xiao Tao; Wang, Jin-Tang","(<i>Z</i>)-2-[4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene]-2-(imidazol-1-yl)acetonitrile","Acta Crystallographica Section E","2006","62","8","o3159","o3160","10.1107/S1600536806024779","","","0.71073","MoKα","","0.0716","0.0444","","","0.105","0.1237","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209878","16.0187","0.0018","8.5003","0.0009","17.6621","0.0019","90","","92.408","0.002","90","","2402.8","0.5","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Iodobenzyl)pyridinium bis(benzene-1,2-dithiolato)nickelate(III)","","- C24 H19 I N Ni S4 -","- C24 H19 I N Ni S4 -","- C96 H76 I4 N4 Ni4 S16 -","4","1","HK2070","Liu, Guang-Xiang; Wang, Peng-Fei; You-Cun Chen; Ren, Xiao-Ming","1-(4-Iodobenzyl)pyridinium bis(benzene-1,2-dithiolato)nickelate(III)","Acta Crystallographica Section E","2006","62","8","m1746","m1748","10.1107/S1600536806024901","","","0.71073","MoKα","","0.0633","0.0509","","","0.1007","0.1056","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209879","11.983","0.003","6.4802","0.0018","11.256","0.003","90","","96.858","0.006","90","","867.8","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","piperazinium oxalate monohydrate","","- C6 H14 N2 O5 -","- C6 H14 N2 O5 -","- C24 H56 N8 O20 -","4","1","HK2071","Aghabozorg, Hossein; Ghadermazi, Mohammad; Sheshmani, Shabnam","A novel proton-transfer compound: piperazinium oxalate monohydrate","Acta Crystallographica Section E","2006","62","8","o3287","o3289","10.1107/S1600536806025359","","","0.71073","MoKα","","0.1025","0.0706","","","0.1587","0.1682","","","","","","0.926","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209880","7.2661","0.0011","12.4666","0.0019","14.255","0.002","76.446","0.003","82.992","0.003","83.819","0.003","1241.7","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Bromobenzylmethyl)pyridinium bis(benzene-1,2-dithiolato)nickelate(III)","","- C25 H21 Br N Ni S4 -","- C25 H21 Br N Ni S4 -","- C50 H42 Br2 N2 Ni2 S8 -","2","1","HK2072","Liu, Guang-Xiang; Wang, Peng-Fei; Chen, You-Cun; Ren, Xiao-Ming","1-(4-Bromobenzylmethyl)pyridinium bis(benzene-1,2-dithiolato)nickelate(III)","Acta Crystallographica Section E","2006","62","8","m1787","m1789","10.1107/S1600536806025931","","","0.71073","MoKα","","0.0773","0.0582","","","0.1478","0.1585","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209881","10.2268","0.0001","16.7196","0.0002","18.2311","0.0002","90","","90","","90","","3117.3","0.06","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-butanediamminium dihydrogendecavanadate","","- C8 H30 N4 O28 V10 -","- C8 H30 N4 O28 V10 -","- C32 H120 N16 O112 V40 -","4","0.5","HK2073","Rakovský, Erik; Gyepes, Robert","Butane-1,4-diammonium dihydrogendecavanadate(V)","Acta Crystallographica Section E","2006","62","8","m1820","m1822","10.1107/S1600536806026249","","","0.7107","MoKα","","0.0236","0.0212","","","0.0541","0.0563","","","","","","1.23","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209882","5.6646","0.0015","8.644","0.002","12.393","0.003","85.549","0.004","81.179","0.004","74.569","0.004","577.6","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetate","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C24 H26 N6 O4 -","2","1","HK2074","Xiao-Ru Zhang; Min-Hua Xu; Xue-Mei Li; Shu-Sheng Zhang","Ethyl 2-(4-phenyl-1<i>H</i>-1,2,3-triazol-1-yl)acetate","Acta Crystallographica Section E","2006","62","8","o3278","o3279","10.1107/S1600536806026225","","","0.71073","MoKα","","0.0558","0.0453","","","0.1071","0.1165","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209883","18.212","0.004","18.318","0.004","7.533","0.0015","90","","90","","90","","2513.1","0.9","294","2","294","2","","","","","","","","4","F d d 2","F 2 -2d","43","","N-Acryloyl glycine","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C80 H112 N16 O48 -","16","1","HK2075","Lv, Zhi-Fang; Xu, Bin; Wang, Jin-Tang","<i>N</i>-Acryloylglycine","Acta Crystallographica Section E","2006","62","8","o3344","o3345","10.1107/S1600536806026201","","","0.71073","MoKα","","0.0463","0.0429","","","0.0986","0.1016","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209884","10.552","0.002","10.564","0.0019","22.238","0.004","90","","100.803","0.016","90","","2435","0.8","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis(2,4,6-triamino-1,3,5-triazin-1-ium) bis(pyridine-2,6-dicarboxylato-κ^3^O,N,O')cadmate(II)","","- C20 H20 Cd N14 O8 -","- C20 H20 Cd N14 O8 -","- C80 H80 Cd4 N56 O32 -","4","1","HK2076","Aghabozorg, Hossein; Aghajani, Zahra; Sharif, Mahboubeh A.","Bis(2,4,6-triamino-1,3,5-triazin-1-ium) bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cadmate(II)","Acta Crystallographica Section E","2006","62","8","m1930","m1932","10.1107/S1600536806027772","","","0.71073","MoKα","","0.034","0.0269","","","0.068","0.0691","","","","","","1.001","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2209885","7.8698","0.0011","8.8455","0.0014","11.0814","0.0012","106.727","0.004","91.021","0.004","107.385","0.005","700.45","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[dichlorocadmium(II)]bis[μ-1,3-bis(imidazol-1- ylmethyl)benzene]-κ^2^N^3^:κ^2^N^3'^]","","- C28 H28 Cd Cl2 N8 -","- C28 H28 Cd Cl2 N8 -","- C28 H28 Cd Cl2 N8 -","1","0.5","HK2078","Tao Li; Shao-Wu Du","<i>catena</i>-Poly[[dichlorocadmium(II)]bis[μ-1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:κ^2^<i>N</i>^3'^]]","Acta Crystallographica Section E","2006","62","8","m1933","m1935","10.1107/S1600536806027838","","","0.71073","MoKα","","0.025","0.0236","","","0.0471","0.0479","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209886","9.217","0.003","18.106","0.005","11.305","0.004","90","","121.11","0.02","90","","1615.3","1","294","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl N-[(2-hydroxynaphthalen-1-yl)(phenyl)methyl]carbamate","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","HK2079","Bazgir, Ayoob; Amani, Vahid; Khavasi, Hamid Reza","Methyl <i>N</i>-[(2-hydroxynaphthalen-1-yl)(phenyl)methyl]carbamate","Acta Crystallographica Section E","2006","62","8","o3533","o3534","10.1107/S1600536806027784","","","0.71073","MoKα","","","0.0703","","","","0.1327","","","","","","1.16","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209887","11.3149","0.0013","10.012","0.0012","9.1966","0.0011","90","","97.155","0.002","90","","1033.7","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Ethoxyphenyl)-2-chloroacetamide","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C40 H48 Cl4 N4 O8 -","4","1","HK2080","Shu-Sheng Zhang; Hui-Ling Wen; Xue-Mei Li; Li-Li Xu; Yong-Hong Wen","2-Chloro-<i>N</i>-(4-ethoxyphenyl)acetamide","Acta Crystallographica Section E","2006","62","8","o3412","o3413","10.1107/S1600536806027103","","","0.71073","MoKα","","0.0477","0.0401","","","0.0964","0.1015","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209888","11.1285","0.0004","5.2653","0.0002","11.7399","0.0004","90","","105.963","0.001","90","","661.37","0.04","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4,6-tetrathiacycloheptane","","- C3 H6 S4 -","- C3 H6 S4 -","- C12 H24 S16 -","4","1","HK2082","Pickardt, Joachim; von Chrzanowski, Lars; Borowski, Marina","1,2,4,6-Tetrathiacycloheptane","Acta Crystallographica Section E","2006","62","8","o3401","o3402","10.1107/S1600536806026973","","","0.71073","MoKα","","0.0932","0.0658","","","0.1295","0.1375","","","","","","1.464","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209889","13.41","0.003","5.0467","0.001","19.937","0.004","90","","100.85","0.03","90","","1325.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pyridine-2,6-dicarboxylic acid‒pyridine-4-carboxamide‒water (1/1/1)","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C52 H52 N12 O24 -","4","1","HK2083","Aghabozorg, Hossein; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar","Pyridine-2,6-dicarboxylic acid‒pyridine-4-carboxamide‒water (1/1/1)","Acta Crystallographica Section E","2006","62","8","o3445","o3447","10.1107/S1600536806027164","","","0.71073","MoKα","","0.0779","0.0624","","","0.1451","0.1531","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209890","19.718","0.002","11.578","0.001","8.2521","0.0009","90","","97.664","0.005","90","","1867.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetra-μ-acetamidato-k^4^N:O;k^4^O:N-diaquadirhodium(II,III) perrhenate","","- C8 H20 N4 O10 Re Rh2 -","- C8 H20 N4 O10 Re Rh2 -","- C32 H80 N16 O40 Re4 Rh8 -","4","0.5","HK2084","Fuma, Yasuhiro; Ebihara, Masahiro","Tetra-μ-acetamidato-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-diaquadirhodium(II,III) perrhenate","Acta Crystallographica Section E","2006","62","8","m1898","m1900","10.1107/S1600536806027334","","","0.7107","MoKα","","0.0384","0.0347","","","0.0717","0.0729","","","","","","1.149","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209891","12.941","0.003","8.1336","0.0019","15.26","0.004","90","","99.5","0.004","90","","1584.2","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dimethyl ester Tröger's base","Dimethyl 6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine-2,8-dicarboxylate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","HK2086","Faroughi, Masoud; Try, Andrew C.; Turner, Peter","Dimethyl 6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine-2,8-dicarboxylate","Acta Crystallographica Section E","2006","62","8","o3479","o3480","10.1107/S1600536806028388","","","0.71073","MoKα","","0.043","0.0368","","","0.0883","0.092","","","","","","1.205","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209892","6.842","0.002","7.531","0.002","14.933","0.005","90","","100.801","0.007","90","","755.8","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E,E)-N,N'-Bis(4-tolylmethylidene)ethylenediamine","","- C18 H20 N2 -","- C18 H20 N2 -","- C36 H40 N4 -","2","0.5","HK2088","Kassim, Karimah; Bahrom, Hadariah; Yamin, Bohari M.","(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4-tolylmethylidene)ethylenediamine","Acta Crystallographica Section E","2006","62","8","o3521","o3522","10.1107/S160053680602798X","","","0.71073","MoKα","","0.094","0.056","","","0.146","0.165","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209893","8.2","0.002","18.274","0.005","14.191","0.004","90","","101.974","0.005","90","","2080.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{2,2'-[Ethane-1,2-diylbisnitrilomethylidyne)]diphenoxyacetato}zinc(II) methanol solvate","","- C21 H22 N2 O7 Zn -","- C21 H22 N2 O7 Zn -","- C84 H88 N8 O28 Zn4 -","4","1","HY2007","Jing Wang; Dong-Sheng Zhu; Kui-Zhan Shao; Lin Xu","{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenoxyacetato}zinc(II) methanol solvate","Acta Crystallographica Section E","2006","62","8","m1884","m1886","10.1107/S1600536806026791","","","0.71073","MoKα","","0.0945","0.0477","","","0.0615","0.07","","","","","","0.937","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209894","13.617","0.002","13.883","0.002","17.501","0.003","90","","90","","90","","3308.5","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{μ-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan- 2-olato}-κ^8^N^2^,O:O,N^2'^-bis[(acetato-κ^2^O,O')nickel(II)]","","- C30 H28 F4 N12 Ni2 O6 -","- C30 H28 F4 N12 Ni2 O6 -","- C120 H112 F16 N48 Ni8 O24 -","4","0.5","HY2009","Yun Gong; Wang Tang; Wen-Bin Hou; Zhong-Yong Zha; Chang-Wen Hu","Bis[μ-2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-olato]-κ^8^<i>N</i>^2^,<i>O</i>:<i>O</i>,<i>N</i>^2'^-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')nickel(II)]","Acta Crystallographica Section E","2006","62","8","m1827","m1829","10.1107/S1600536806026584","","","0.71073","MoKα","","0.0687","0.0349","","","0.0751","0.0978","","","","","","1.113","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209895","9.223","0.002","10.702","0.002","12.72","0.003","85.132","0.005","89.749","0.005","67.273","0.004","1153.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","{Benzil bis[(2-oxidobenzylidene)hydrazone]}copper(II)","","- C28 H20 Cu N4 O2 -","- C28 H20 Cu N4 O2 -","- C56 H40 Cu2 N8 O4 -","2","1","IS2037","Bai, Yan; Liu, Jin; Dang, Dong-Bin; Duan, Chun-Ying","{Benzil bis[(2-oxidobenzylidene)hydrazone]}copper(II)","Acta Crystallographica Section E","2006","62","8","m1805","m1807","10.1107/S1600536806025128","","","0.71073","MoKα","","0.0913","0.0565","","","0.1138","0.1282","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209896","6.4118","0.0001","9.1042","0.0002","14.1521","0.0002","77.986","0.001","80.464","0.001","85.585","0.001","796.09","0.02","297","2","297","2","","","","","","","","4","P -1","-P 1","2","Hexamethylenetetraminium 2,4-dinitrobenzoate monohydrate","Hexamethylenetetraminium 2,4-dinitrobenzoate monohydrate","","- C13 H18 N6 O7 -","- C13 H18 N6 O7 -","- C26 H36 N12 O14 -","2","1","IS2043","Mohd Mustaqim Rosli; Hoong-Kun Fun; Beck Sim Lee; Pumsak Ruanwas; Suchada Chantrapromma","Hexamethylenetetraminium 2,4-dinitrobenzoate monohydrate","Acta Crystallographica Section E","2006","62","8","o3296","o3298","10.1107/S1600536806023968","","","0.71073","MoKα","","0.0844","0.0552","","","0.153","0.1745","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209897","9.3403","0.0008","15.2266","0.0011","6.9007","0.0005","90","","102.034","0.0013","90","","959.86","0.13","150","2","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Bis(9-phenanthryl)ethyne","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","0.5","IS2050","Kubo, Takashi; Nakasuji, Kazuhiro","Bis(9-phenanthryl)ethyne","Acta Crystallographica Section E","2006","62","8","o3410","o3411","10.1107/S1600536806022744","","","0.7107","MoKα","","0.0475","0.0454","","","0.1342","0.1373","","","","","","1.097","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209898","6.9279","0.0002","4.757","0.0001","19.3436","0.0005","90","","92.657","0.002","90","","636.8","0.03","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Amino-6-hydroxymethylpyridine","2-Amino-6-(hydroxymethyl)pyridine","","- C6 H8 N2 O -","- C6 H8 N2 O -","- C24 H32 N8 O4 -","4","1","IS2056","Shyamaprosad Goswami; Swapan Dey; Hoong-Kun Fun; Suchada Chantrapromma","2-Amino-6-(hydroxymethyl)pyridine","Acta Crystallographica Section E","2006","62","8","o3225","o3227","10.1107/S1600536806025499","","","0.71073","MoKα","","0.0514","0.0418","","","0.1089","0.117","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209899","10.1053","0.0002","12.1099","0.0002","12.9095","0.0003","62.297","0.001","84.131","0.001","72.597","0.001","1333.41","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[aquachlorobis(1,10-phenanthroline)cadmium(II)] benzene-1,4-dioxydiacetate sesquihydrate","","- C58 H49 Cd2 Cl2 N8 O9.5 -","- C58 H47 Cd2 Cl2 N8 O9.5 -","- C58 H47 Cd2 Cl2 N8 O9.5 -","1","0.5","IS2059","Yong-Cai Qiu; Chen-Long Chen; Rong-Hua Zeng; Yue-Peng Cai; Hong Deng","Bis[aquachlorobis(1,10-phenanthroline)cadmium(II)] benzene-1,4-dioxydiacetate sesquihydrate","Acta Crystallographica Section E","2006","62","8","m1979","m1981","10.1107/S1600536806028339","","","0.71073","MoKα","","0.0285","0.025","","","0.0646","0.0664","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209900","8.297","0.005","17.069","0.003","13.957","0.003","90","","90.82","0.03","90","","1976.4","1.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Λ~L~-(L-Cysteinato-κ^2^N,S)bis(ethylenediamine- κ^2^N,N')cobalt(III) bis(perchlorate) sesquihydrate","","- C7 H25 Cl2 Co N5 O11.5 S -","- C7 H25 Cl2 Co N5 O11.5 S -","- C28 H100 Cl8 Co4 N20 O46 S4 -","4","2","IS2061","Takashi Aridomi; Asako Igashira-Kamiyama; Tatsuya Kawamoto; Takumi Konno","Λ~<small>L~</small>-(<small>L</small>-Cysteinato-κ^2^<i>N</i>,<i>S</i>)bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) bis(perchlorate) sesquihydrate","Acta Crystallographica Section E","2006","62","8","m1838","m1840","10.1107/S1600536806026626","","","0.71069","MoKα","","0.1614","0.0516","","","0.1233","0.1542","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2209901","8.871","0.004","13.763","0.006","6.523","0.003","90","","90.824","0.006","90","","796.3","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(4-methoxy-2-oxidoacetophenone)copper(II)","","- C18 H18 Cu O6 -","- C18 H18 Cu O6 -","- C36 H36 Cu2 O12 -","2","0.5","IS2062","Xing-You Xu; Tong-Tao Xu; Jian Gao; Da-Qi Wang; Lude Lu","Bis(4-methoxy-2-oxidoacetophenone)copper(II)","Acta Crystallographica Section E","2006","62","8","m1768","m1769","10.1107/S1600536806025682","","","0.71073","MoKα","","0.0768","0.052","","","0.143","0.1614","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209902","16.693","0.003","12.97","0.002","17.392","0.003","90","","94.002","0.003","90","","3756.3","1.1","273","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Morpholino-3-p-tolylbenzo[4,5]thieno[3,2-d]pyrimidin-4(3H)-one","","- C21 H19 N3 O2 S -","- C21 H19 N3 O2 S -","- C168 H152 N24 O16 S8 -","8","2","IS2063","Sheng-Zhen Xu; Yang-Gen Hu; Ming-Guo Liu; Ming-Wu Ding","2-Morpholino-3-<i>p</i>-tolylbenzo[4,5]thieno[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","8","o3428","o3429","10.1107/S1600536806027127","","","0.71073","MoKα","","0.0785","0.0528","","","0.1164","0.1257","","","","","","0.955","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209903","42.524","0.003","42.524","0.003","8.427","0.0013","90","","90","","120","","13197","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","2,4,6-Tri(2,4,6-tribromophenoxy)-1,3,5-triazine","","- C21 H6 Br9 N3 O3 -","- C21 H6 Br9 N3 O3 -","- C378 H108 Br162 N54 O54 -","18","1","IS2064","Feng Li; Hong-Quan Jiang; Xue-Mei Li; Shu-Sheng Zhang","2,4,6-Tris(2,4,6-tribromophenoxy)-1,3,5-triazine","Acta Crystallographica Section E","2006","62","8","o3303","o3304","10.1107/S1600536806026134","","","0.71073","MoKα","","0.0939","0.0439","","","0.0908","0.1048","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209904","22.0564","0.0015","10.5743","0.0007","19.4356","0.0013","90","","106.201","0.001","90","","4353","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[(1Z,3Z)-1,3-bis(4-fluorophenyl)-N,N'-diphenylpropanediiminato]magnesium(II)","","- C54 H38 F4 Mg N4 -","- C54 H38 F4 Mg N4 -","- C216 H152 F16 Mg4 N16 -","4","0.5","IS2065","Huang, Bor-Hunn; Peng, Ya-Liu; Lin, Chu-Chieh","Bis[(1<i>Z</i>,3<i>Z</i>)-1,3-bis(4-fluorophenyl)-<i>N</i>,<i>N</i>'-diphenylpropanediiminato]magnesium(II)","Acta Crystallographica Section E","2006","62","8","m1977","m1978","10.1107/S1600536806027954","","","0.71073","MoKα","","0.0918","0.041","","","0.0935","0.1128","","","","","","0.905","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209905","7.922","0.002","10.082","0.002","10.9514","0.0018","74.557","0.016","82.902","0.017","85.34","0.02","835.6","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","Butylammonium sulfadiazinate monohydrate","","- C14 H23 N5 O3 S -","- C14 H23 N5 O3 S -","- C28 H46 N10 O6 S2 -","2","1","IS2066","Heren, Zerrin; Paşaoğlu, Hümeyra; Kaştaş, Gökhan","Butylammonium sulfadiazinate monohydrate","Acta Crystallographica Section E","2006","62","8","o3437","o3439","10.1107/S1600536806027504","","","0.71073","MoKα","","0.0441","0.039","","","0.1023","0.1058","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209906","9.9315","0.0008","9.9315","0.0008","29.113","0.005","90","","90","","120","","2486.8","0.5","293","2","293","2","","","","","","","","3","P 61","P 61","169","(3β,5α,6β,7β,14β)-Eudesmen-3,5,6,11-tetrol","(3S,5S,6R,7R,10S)-7-(2-hydroxy-2-propyl)-10-methyl-4- methyleneperhydronaphthalene-3,5,6-triol","","- C16 H30 O5 -","- C16 H30 O5 -","- C96 H180 O30 -","6","1","JH2020","Xiao-Lan Wang; Shu-Lin Peng; Jian Liang; Kai-Bei Yu","(3β,5α,6β,7β,14β)-Eudesmen-3,5,6,11-tetrol methanol solvate: a new sesquiterpenoid from <i>Chrysanthemum indicum</i> L.","Acta Crystallographica Section E","2006","62","8","o3570","o3571","10.1107/S1600536806028522","","","0.71073","MoKα","","0.0446","0.0329","","","0.0661","0.0683","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209907","9.574","0.004","11.592","0.005","16.06","0.005","90","","90","","90","","1782.4","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Bis(azaferrocene)dichloropalladium(II)","","- C18 H18 Cl2 Fe2 N2 Pd -","- C18 H18 Cl2 Fe2 N2 Pd -","- C72 H72 Cl8 Fe8 N8 Pd4 -","4","0.5","JH2024","Lucjan B. Jerzykiewicz; Konrad Kowalski; Janusz Zakrzewski","<i>trans</i>-Bis(azaferrocene)dichloropalladium(II)","Acta Crystallographica Section E","2006","62","8","m1832","m1834","10.1107/S1600536806026729","","","0.71073","MoKα","","0.0363","0.0324","","","0.0841","0.0867","","","","","","1.139","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209908","5.5218","0.0005","25.529","0.002","10.0165","0.0009","90","","100.553","0.002","90","","1388.1","0.2","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Amino-2-anilino-4-(4-fluorobenzylidene)-1H-imidazol-5(4H)-one","","- C16 H13 F N4 O -","- C16 H13 F N4 O -","- C64 H52 F4 N16 O4 -","4","1","JH2025","Zhang, Qian; Jiao, Yuan-Hong","1-Amino-2-anilino-4-(4-fluorobenzylidene)-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","8","o3508","o3509","10.1107/S1600536806028170","","","0.71073","MoKα","","0.1371","0.0648","","","0.133","0.1552","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209909","9.877","0.003","10.633","0.002","13.693","0.002","67.62","0.014","84.657","0.018","66.77","0.02","1219.2","0.5","295","2","","","","","","","","","","3","P -1","-P 1","2","","cis-1,2,2,3-Tetraphenyl-2,3-dihydro-1H-2-benzosilole","","- C32 H26 Si -","- C32 H26 Si -","- C64 H52 Si2 -","2","1","JH2026","Luong C. Duong; Stephen K. Cope; Daniel S. Jones; Craig A. Ogle","<i>cis</i>-1,2,2,3-Tetraphenyl-2,3-dihydro-1<i>H</i>-2-benzosilole","Acta Crystallographica Section E","2006","62","8","o3574","o3576","10.1107/S1600536806028169","","","1.54178","CuKα","","","0.0349","","","","0.1007","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209910","8.334","0.005","10.778","0.005","16.412","0.01","90","","103.761","0.002","90","","1431.9","1.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2,2-dichloro-N-methylacetamido)phenyl furan-2-carboxylate","","- C14 H11 Cl2 N O4 -","- C14 H11 Cl2 N O4 -","- C56 H44 Cl8 N4 O16 -","4","1","JH2030","Naveen, S.; Dinesh Manvar; Anamik Shah; Sridhar, M. A.; Shashidhara Prasad, J.","4-(2,2-Dichloro-<i>N</i>-methylacetamido)phenyl furan-2-carboxylate","Acta Crystallographica Section E","2006","62","8","o3587","o3588","10.1107/S1600536806029035","","","0.71073","MoKα","","0.0497","0.0398","","","0.1134","0.1426","","","","","","1.199","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209911","7.898","0.002","11.91","0.005","35.17","0.016","90","","90","","90","","3308","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-5-tert-Butyl-1-cinnamoylthiobiuret","","- C15 H19 N3 O2 S -","- C15 H19 N3 O2 S -","- C120 H152 N24 O16 S8 -","8","1","KP2028","Xue, Si-Jia; Chai, An; Guo, Yan-Lin; Wang, Qing-Dong","(<i>E</i>)-5-<i>tert</i>-Butyl-1-cinnamoylthiobiuret","Acta Crystallographica Section E","2006","62","8","o3157","o3158","10.1107/S160053680602280X","","","0.71073","MoKα","","0.0951","0.0756","","","0.1628","0.1719","","","","","","1.148","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209912","17.695","0.004","8.361","0.0009","8.805","0.0012","90","","90","","90","","1302.7","0.4","133","2","133","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Diethyl diprop-2-ynylmalonate","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","KP2029","Ye-Fei Nan; Yu-Ping Wei; Xiao-Xiao Li; Chang-Hua Hua; Liang-Dong Sun","Diethyl diprop-2-ynylmalonate","Acta Crystallographica Section E","2006","62","8","o3233","o3234","10.1107/S1600536806025505","","","0.7107","MoKα","","0.0399","0.037","","","0.0915","0.0944","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209913","11.4","0.0016","7.2252","0.0012","18.211","0.002","90","","103.721","0.006","90","","1457.2","0.4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Bromo-N-(3-thienylmethyl)-1,8-naphthalimide","","- C17 H10 Br N O2 S -","- C17 H10 Br N O2 S -","- C68 H40 Br4 N4 O8 S4 -","4","1","KP2030","Bin Chen; Yu-quan, Shi","4-Bromo-<i>N</i>-(3-thienylmethyl)-1,8-naphthalimide","Acta Crystallographica Section E","2006","62","8","o3294","o3295","10.1107/S1600536806025542","","","0.7107","MoKα","","0.1","0.0509","","","0.121","0.1438","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209914","20.905","0.002","10.222","0.001","12.516","0.006","90","","90","","90","","2674.6","1.3","297","2","297","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-[(Cyclohexylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C104 H152 N8 O32 -","8","2","KP2031","Vencato, Ivo; Cunha, Silvio; Ferrari, Jailton; Lariucci, Carlito; Xavier, Leandro C.","5-[(Cyclohexylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2006","62","8","o3581","o3583","10.1107/S1600536806026717","","","1.5418","CuKα","","0.0682","0.0574","","","0.1467","0.2037","","","","","","1.196","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209915","8.287","0.001","8.3104","0.001","9.1906","0.0012","65.572","0.012","89.03","0.01","75.472","0.01","555.14","0.14","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(p-Phenylenediimino)dipyridinium dichloride hexahydrate","","- C16 H28 Cl2 N4 O6 -","- C16 H28 Cl2 N4 O6 -","- C16 H28 Cl2 N4 O6 -","1","0.5","KP2032","Maria Gdaniec; Igor Bensemann; Tadeusz Połoński","2,2'-(<i>p</i>-Phenylenediimino)dipyridinium dichloride hexahydrate","Acta Crystallographica Section E","2006","62","8","o3319","o3321","10.1107/S1600536806026687","","","0.71073","MoKα","","0.0398","0.036","","","0.0968","0.1009","","","","","","1.065","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209916","7.6725","0.0013","7.7312","0.0013","15.52","0.003","85.996","0.002","81.517","0.002","67.804","0.002","843","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","μ-(η^5^,η^5^-methylenedicyclopentadienyl)bis[tricarbonylmolybdenum(II)]","","- C17 H10 Mo2 O6 -","- C17 H10 Mo2 O6 -","- C34 H20 Mo4 O12 -","2","1","KP2033","Guo, Dian-Shun; Zhang, Xiao-Ling; Gao, Yong-Hong; Ma, Jian-Ping","μ-(η^5^,η^5^-Methylenedicyclopentadienyl)bis[tricarbonylmolybdenum(II)]","Acta Crystallographica Section E","2006","62","8","m1856","m1858","10.1107/S1600536806026882","","","0.71073","MoKα","","0.0357","0.032","","","0.0822","0.0842","","","","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209917","9.4994","0.0014","18.762","0.003","14.778","0.002","90","","92.24","0.002","90","","2631.8","0.7","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-Hydroxo-bis{2-(dimethylaminomethyl)phenyl]dimethyltin(IV)} iodide","","- C22 H37 I N2 O Sn2 -","- C22 H37 I N2 O Sn2 -","- C88 H148 I4 N8 O4 Sn8 -","4","0.5","KP2037","Varga, Richard A.; Cristian, Silvestru","μ-Hydroxo-bis{[2-(dimethylaminomethyl)phenyl]dimethyltin(IV)} iodide","Acta Crystallographica Section E","2006","62","8","m1964","m1965","10.1107/S1600536806028418","","","0.71073","MoKα","","0.0279","0.025","","","0.0591","0.0605","","","","","","1.105","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2209918","10.559","0.002","11.727","0.002","13.401","0.003","87.87","0.03","67.41","0.03","78.4","0.03","1499.3","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","1,3-Bis(3-ferrocenyl-5-methyl-1H-pyrazol-1-ylcarbonyl)benzene","","- C36 H30 Fe2 N4 O2 -","- C36 H30 Fe2 N4 O2 -","- C72 H60 Fe4 N8 O4 -","2","1","KP2039","Yao-Cheng Shi; Chun-Xia Sui; Bei-Bei Zhu","1,3-Bis(3-ferrocenyl-5-methyl-1<i>H</i>-pyrazol-1-ylcarbonyl)benzene","Acta Crystallographica Section E","2006","62","8","m1954","m1955","10.1107/S1600536806028479","","","0.71073","MoKα","","0.0636","0.044","","","0.1475","0.1714","","","","","","1.121","","","","has coordinates,has Fobs","208159","2020-10-21","18:00:00",""
"2209919","8.563","0.0017","9.494","0.0019","11.069","0.002","68.96","0.03","84.84","0.03","77.75","0.03","820.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-[(2-Aminophenylimino)(phenyl)methyl]-4-chlorophenol","","- C19 H15 Cl N2 O -","- C19 H15 Cl N2 O -","- C38 H30 Cl2 N4 O2 -","2","1","KP2041","Xiao-Kang Ai; Cai-Feng Bi; Yu-Hua Fan; Xia Zhang; Xue-Tao He","2-[(2-Aminophenylimino)(phenyl)methyl]-4-chlorophenol","Acta Crystallographica Section E","2006","62","8","o3475","o3476","10.1107/S1600536806027565","","","0.71073","MoKα","","0.0721","0.0442","","","0.1186","0.1339","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209920","10.4373","0.0013","12.0428","0.0013","12.6808","0.0014","67.947","0.012","71.053","0.009","78.081","0.012","1390.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,6-bis(4-methylphenyl)-1-nitroso-3,5-diphenyltetrahydro-4(1H)-pyridinone","","- C31 H28 N2 O2 -","- C31 H28 N2 O2 -","- C62 H56 N4 O4 -","2","1","LH2076","J. Suresh; V. P. Alex Raja; S. Perumal; S. Natarajan","2,6-Bis(4-methylphenyl)-1-nitroso-3,5-diphenyl-2,3,5,6-tetrahydropyridin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","8","o3307","o3309","10.1107/S1600536806026031","","","0.71069","MoKα","","0.1165","0.0492","","","0.1263","0.1518","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209921","9.2538","0.0005","12.5925","0.0008","15.461","0.0009","105.049","0.005","105.593","0.004","110.034","0.004","1502.14","0.18","296","","296","","","","","","","","","5","P -1","-P 1","2","","3,3'-Bis(cyclohexylmethyl)-1,1'-propylenedibenzimidazolium dibromide monohydrate","","- C31 H44 Br2 N4 O -","- C31 H44 Br2 N4 O -","- C62 H88 Br4 N8 O2 -","2","1","LH2103","Mehmet Akkurt; Sema Öztürk Yıldırım; Hasan Küçükbay; Nihat Şireci; Orhan Büyükgüngör","3,3'-Bis(cyclohexylmethyl)-1,1'-propylenedibenzimidazolium dibromide monohydrate","Acta Crystallographica Section E","2006","62","8","o3184","o3186","10.1107/S160053680602349X","","","0.71073","MoKα","","0.0634","0.0446","","","0.1014","0.1097","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209922","19.889","0.003","12.5106","0.0017","8.301","0.0011","90","","92.861","0.003","90","","2062.9","0.5","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(2-Nitrobenzaldehyde)-2,6-dipicolinoyhydrazone","","- C21 H15 N7 O6 -","- C21 H15 N7 O6 -","- C84 H60 N28 O24 -","4","0.5","LH2105","Bing Jia; Shaomin Shi; Feihua Luo; Zongqiu Hu","2,2'-Bis(2-nitrobenzylidene)pyridine-2,6-dicarbohydrazide","Acta Crystallographica Section E","2006","62","8","o3326","o3327","10.1107/S1600536806026407","","","0.71073","MoKα","","0.0851","0.0558","","","0.1221","0.1325","","","","","","0.921","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209923","8.2965","0.001","9.0307","0.0011","10.9729","0.0016","83.598","0.003","67.935","0.002","83.878","0.002","755.29","0.17","292","2","292","2","","","","","","","","3","P -1","-P 1","2","","Bis(2-methylbenzyl) diselenide","","- C16 H18 Se2 -","- C16 H18 Se2 -","- C32 H36 Se4 -","2","1","LH2106","Wen-Ju Liu; Ming-Hu Wu; Wei-Dong Zou; Yang-Yan Meng","Bis(2-methylbenzyl) diselenide","Acta Crystallographica Section E","2006","62","8","o3177","o3178","10.1107/S1600536806024834","","","0.71073","MoKα","","0.053","0.0389","","","0.0909","0.1098","","","","","","0.969","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209924","5.7956","0.0001","7.3397","0.0001","13.3905","0.0002","78.634","0.001","81.928","0.001","88.964","0.001","552.874","0.015","100","0.1","297","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one","","- C13 H9 Cl O S -","- C13 H9 Cl O S -","- C26 H18 Cl2 O2 S2 -","2","1","LH2110","Shea-Lin Ng; P. S. Patil; Ibrahim Abdul Razak; Hoong-Kun Fun; S. M. Dharmaprakash","1-(4-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","8","o3200","o3202","10.1107/S1600536806024962","","","0.71073","MoKα","","0.0336","0.0305","","","0.0853","0.0893","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209925","12.595","0.006","12.128","0.009","7.699","0.006","90","","90","","90","","1176","1.4","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","3-(2-Bromophenyl)isocoumarin","3-(2-Bromophenyl)isocoumarin","","- C15 H9 Br O2 -","- C15 H9 Br O2 -","- C60 H36 Br4 O8 -","4","1","LH2111","Saeed, Aamer; Eide, van der Edwin; Parvez, Masood","3-(2-Bromophenyl)isocoumarin","Acta Crystallographica Section E","2006","62","8","o3262","o3263","10.1107/S1600536806024998","","","0.71073","MoKα","","0.053","0.038","","","0.084","0.094","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209926","7.228","0.0008","9.636","0.0009","10.085","0.001","81.197","0.009","82.39","0.007","78.817","0.008","677.12","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-amino-6-(2,2-diethoxyethoxy)-2-(methylsulfanyl)pyrimidine","","- C11 H19 N3 O3 S -","- C11 H19 N3 O3 S -","- C22 H38 N6 O6 S2 -","2","1","LH2112","Quijano, Maria Luisa; Cobo, Justo; Nogueras, Manuel; Low, John Nicolson","4-Amino-6-(2,2-diethoxyethoxy)-2-(methylsulfanyl)pyrimidine","Acta Crystallographica Section E","2006","62","8","o3142","o3144","10.1107/S1600536806024536","","","0.71073","MoKα","","0.2411","0.0732","","","0.1625","0.2526","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209927","14.2","0.003","7.2927","0.0018","22.375","0.005","90","","101.921","0.004","90","","2267.1","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Naphthalene-2,7-diol‒imidazole (1/1)","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","2","LH2113","Yong-Tao Wang; Gui-Mei Tang; Wen-Zhu Wan","Naphthalene-2,7-diol‒imidazole (1/1)","Acta Crystallographica Section E","2006","62","8","o3396","o3397","10.1107/S1600536806024986","","","0.71073","MoKα","","0.0841","0.0547","","","0.1314","0.1478","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209928","8.093","0.002","10.932","0.004","29.318","0.011","90","","90","","90","","2593.8","1.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3,4,6-Tetra-O-acetyl-O-(p-tert-butylphenyl)-β-D-glucopyranoside","2,3,4,6-Tetra-O-acetyl-O-(p-tert-butylphenyl)-β-D-glucopyranoside","","- C24 H32 O10 -","- C24 H32 O10 -","- C96 H128 O40 -","4","1","LH2114","Ansari, Farzana Latif; Sultana, Sajida; Corrente, Andrea M.; Parvez, Masood","2,3,4,6-Tetra-<i>O</i>-acetyl-<i>O</i>-(<i>p</i>-<i>tert</i>-butylphenyl)-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2006","62","8","o3139","o3141","10.1107/S1600536806024573","","","0.71073","MoKα","","0.086","0.048","","","0.109","0.128","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209929","14.537","0.002","14.537","0.002","13.125","0.004","90","","90","","120","","2402","0.9","293","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C30 H30 N14 Ni O6 -","- C30 H30 N14 Ni O6 -","- C90 H90 N42 Ni3 O18 -","3","0.166667","LH2115","Min, Shi Jing; Na, Chen Ju; Dong, Liu Lian","Tris(3,3'-diamino-2,2'-bipyridine)nickel(II) dinitrate","Acta Crystallographica Section E","2006","62","8","m1810","m1811","10.1107/S1600536806026304","","","0.71073","MoKα","","0.0758","0.0611","","","0.0943","0.099","","","","","","1.117","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209930","23.625","0.003","7.3299","0.0009","4.1297","0.0005","90","","90","","90","","715.14","0.15","293","","293","","","","","","","","","5","P m n 21","P 2ac -2","31","","Diquino[4,3-b;3',4'-e][1,4]thiaselenine","","- C18 H10 N2 S Se -","- C18 H10 N2 S Se -","- C36 H20 N4 S2 Se2 -","2","0.5","LH2116","Céline Besnard; Christian Kloc; Theo Siegrist; Christer Svensson; Krystian Pluta","Diquino[4,3-<i>b</i>;3',4'-<i>e</i>][1,4]thiaselenine","Acta Crystallographica Section E","2006","62","8","o3203","o3205","10.1107/S1600536806025232","","","1.089","synchrotron","","0.0315","0.0241","","0.0515","0.0474","0.0515","","","","","","1.0408","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209931","15.8744","0.0012","7.8637","0.001","16.562","0.002","90","","90","","90","","2067.5","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","(Benzo-18-crown-6)potassium chlorochromate","(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16- benzohexaoxacyclooctadecine)potassium chlorochromate","","- C16 H24 Cl Cr K O9 -","- C16 H24 Cl Cr K O9 -","- C64 H96 Cl4 Cr4 K4 O36 -","4","1","LH2117","Kotlyar, S. A.; Zubatyuk, R. I.; Shishkin, O. V.; Kiriyak, A. V.; Pluzhnik-Gladyr, S. M.; Kamalov, G. L","(Benzo-18-crown-6)potassium chlorochromate(VI)","Acta Crystallographica Section E","2006","62","8","m1790","m1792","10.1107/S1600536806025360","","","0.71073","MoKα","","","0.0268","","","","0.0503","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209932","8.778","0.001","9.531","0.001","13.678","0.001","100.959","0.009","98.728","0.009","98.782","0.009","1090.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","bis[(18-nitro-2,3,5,6,8,9,11,12,14,15- decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine)potassium chlorochromate]","","- C16 H23 Cl Cr K N O11 -","- C16 H23 Cl Cr K N O11 -","- C32 H46 Cl2 Cr2 K2 N2 O22 -","2","1","LH2118","Kotlyar, Sergei A.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Pluzhnik-Gladyr, Sergei M.; Kiriyak, Andrey V.; Chuprin, Gennady N.; Kamalov, Gerbert L.","Bis(μ-18-nitro-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine)bis[(chlorochromato)potassium]","Acta Crystallographica Section E","2006","62","8","m1988","m1989","10.1107/S1600536806026511","","","0.71073","MoKα","","0.087","0.048","","","0.105","0.114","","","","","","0.888","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2209933","8.769","0.003","9.598","0.004","9.583","0.004","90","","97.829","0.006","90","","799","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S,S)-2,2'-(Ethane-1,2-diyldiiminio)dibutan-1-ol dinitrate","","- C10 H26 N4 O8 -","- C10 H26 N4 O8 -","- C20 H52 N8 O16 -","2","1","LH2119","Bai, Guo-Yi; Ning, Hui-Sen; Zhang, Yue-Cheng; Zeng, Tao; Li, Jiang-Sheng","(S,<i>S</i>)-2,2'-(Ethane-1,2-diyldiiminio)dibutan-1-ol dinitrate","Acta Crystallographica Section E","2006","62","8","o3364","o3365","10.1107/S1600536806026778","","","0.7107","MoKα","","0.0419","0.0374","","","0.0788","0.0821","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209934","4.9846","0.0001","16.5617","0.0005","16.9822","0.0006","90","","97.222","0.0014","90","","1390.82","0.07","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-1-Benzyl-3-(2-nitrovinyl)-1H-indole","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","LH2120","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-1-Benzyl-3-(2-nitrovinyl)-1<i>H</i>-indole","Acta Crystallographica Section E","2006","62","8","o3328","o3330","10.1107/S1600536806026523","","","0.71073","MoKα","","0.0762","0.0458","","","0.1102","0.1251","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209935","38.7649","0.0011","6.7864","0.0002","16.7002","0.0005","90","","108.599","0.002","90","","4163.9","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-(2-Hydroxybenzoyl)-2-(4-methylphenyl)-5-methyl-7- phenylpyrazolo[1,5-a]pyrimidine","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C216 H168 N24 O16 -","8","1","LH2121","Portilla, Jaime; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","6-(2-Hydroxybenzoyl)-2-(4-methylphenyl)-5-methyl-7-phenylpyrazolo[1,5-<i>a</i>]pyrimidine: complex sheets built from C—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section E","2006","62","8","o3195","o3197","10.1107/S1600536806025220","","","0.71073","MoKα","","0.0615","0.0446","","","0.1116","0.1206","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209936","10.1223","0.0015","12.0573","0.0017","12.3757","0.0018","62.927","0.002","79.505","0.002","72.4","0.002","1280.2","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-3-sulfonatobenzoato)bis[bis(2,2'-bipyridine)manganese(II)] dihydrate","","- C54 H44 Mn2 N8 O12 S2 -","- C54 H44 Mn2 N8 O12 S2 -","- C54 H44 Mn2 N8 O12 S2 -","1","0.5","LH2123","Miao, Xiao-He; Zhu, Long-Guan","Bis(μ-3-sulfonatobenzoato)bis[bis(2,2'-bipyridine)manganese(II)] dihydrate","Acta Crystallographica Section E","2006","62","8","m1835","m1837","10.1107/S1600536806026766","","","0.71073","MoKα","","0.0691","0.0535","","","0.1416","0.153","","","","","","0.959","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209937","8.855","0.002","9.723","0.003","10.427","0.003","84.179","0.01","75.926","0.01","64.305","0.008","784.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Catena-poly[[[copper(I)bromide]-μ-1,4-bis(imidazole-1-ylmethyl) benzene-N,N^'^]] hydrate]","","- C14 H16 Br Cu N4 O -","- C14 H14 Br Cu N4 O -","- C28 H28 Br2 Cu2 N8 O2 -","2","1","LH2124","Tao Li; Shao-Wu Du","<i>catena</i>-Poly[[[bromocopper(I)]-μ-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^] monohydrate]","Acta Crystallographica Section E","2006","62","8","m1812","m1813","10.1107/S1600536806026316","","","0.71073","MoKα","","0.0725","0.0464","","","0.1298","0.1434","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209938","10.3912","0.0008","17.4103","0.0014","11.0953","0.0007","90","","118.877","0.005","90","","1757.7","0.2","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","μ-dioxo-bis[Benzoyl pyridine N^4^, N^4^-(butane-1,4-diyl)thiosemicarbazonato- κ^3^ N,N',S]oxovanadium(V)","Di-μ-dioxo-bis({1-[phenyl(2-pyridyl-κN)methylene]-2-(pyrrolidin-1- ylthiocarbonyl-κS)hydrazinato-κN^1^}oxovanadium(V))","","- C34 H34 N8 O4 S2 V2 -","- C34 H34 N8 O4 S2 V2 -","- C68 H68 N16 O8 S4 V4 -","2","0.5","LH2125","A. Sreekanth; Hoong-Kun Fun; Rohith P. John; M. R. Prathapachandra Kurup; Suchada Chantrapromma","Di-μ-dioxo-bis({1-[phenyl(2-pyridyl-κ<i>N</i>)methylene]-2-(pyrrolidin-1-ylthiocarbonyl-κ<i>S</i>)hydrazinato-κ<i>N</i>^1^}oxovanadium(V))","Acta Crystallographica Section E","2006","62","8","m1919","m1921","10.1107/S1600536806026894","","","0.71073","MoKα","","0.0642","0.0512","","","0.1138","0.1197","","","","","","1.155","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209939","5.879","0.0005","12.5223","0.0016","18.029","0.003","90","","90","","90","","1327.3","0.3","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S)-4-Methyl-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)pentanoic acid","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","LH2126","Brady, Fiona; Gallagher, John F.","(2<i>S</i>)-4-Methyl-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)pentanoic acid","Acta Crystallographica Section E","2006","62","8","o3348","o3350","10.1107/S160053680602647X","","","0.71073","MoKα","","0.081","0.0436","","","0.0709","0.0801","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209940","8.0597","0.0002","10.4797","0.0004","15.4798","0.0006","90","","97.383","0.002","90","","1296.63","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Chloro-2-nitrobenzaldehyde isonicotinoylhydrazone","","- C13 H9 Cl N4 O3 -","- C13 H9 Cl N4 O3 -","- C52 H36 Cl4 N16 O12 -","4","1","LH2127","Wardell, Solange M. S. V.; Souza, Marcus V. N. de; Wardell, James L.; Low, John N.; Glidewell, Christopher","5-Chloro-2-nitrobenzaldehyde isonicotinoylhydrazone: a three-dimensional framework built from N—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section E","2006","62","8","o3361","o3363","10.1107/S1600536806026420","","","0.71073","MoKα","","0.072","0.0404","","","0.1054","0.1425","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209941","4.4324","0.0005","8.8524","0.001","21.431","0.003","90","","90","","90","","840.9","0.18","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Amino-(1-carboxymethyl)pyridinium chloride","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C28 H36 Cl4 N8 O8 -","4","1","LH2129","Seethalakshmi, T.; Venkatesan, P.; Fronczek, F. R.; Kaliannan, P.; Thamotharan, S.","4-Amino-(1-carboxymethyl)pyridinium chloride","Acta Crystallographica Section E","2006","62","8","o3389","o3390","10.1107/S1600536806027012","","","0.71073","MoKα","","0.0529","0.0435","","","0.1023","0.1071","","","","","","1.111","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209942","7.678","0.002","12.575","0.004","12.073","0.004","90","","96.063","0.006","90","","1159.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1-azidodiamantane","1-Azidodiamantane","","- C14 H19 N3 -","- C14 H19 N3 -","- C56 H76 N12 -","4","1","LH2131","Chu-Yi Yu; Qing-Yun Su; Qian Li; Li-Ben Wang","1-Azidodiamantane","Acta Crystallographica Section E","2006","62","8","o3430","o3431","10.1107/S1600536806027413","","","0.71073","MoKα","","0.1125","0.0446","","","0.0951","0.1206","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209943","9.7585","0.0007","18.29","0.001","14.246","0.001","90","","96.917","0.001","90","","2524.2","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ~2~-<i>p</i>- toluenesulfonato-κ^2^<i>O</i>:<i>O</i>')cadmium(II)]","","- C24 H22 Cd N2 O6 S2 -","- C24 H22 Cd N2 O6 S2 -","- C96 H88 Cd4 N8 O24 S8 -","4","1","LH2133","Ping, Lin; Wang, Zhi-Cheng; Ng, Seik Weng","Poly[(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ~2~-<i>p</i>-toluenesulfonato-κ^2^<i>O</i>:<i>O</i>')cadmium(II)]","Acta Crystallographica Section E","2006","62","8","m1878","m1879","10.1107/S1600536806027218","","","0.71073","MoKα","","0.052","0.034","","","0.078","0.087","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209944","24.101","0.002","17.286","0.001","9.2556","0.0006","90","","90","","90","","3856","0.5","291","2","291","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","catena-Poly[[bis(p-toluenesulfonato-κO)cadmium(II)]bis(μ~2~- 1,3-di-4-pyridylpropane-κ^2^N:N')]","","- C40 H42 Cd N4 O6 S2 -","- C40 H42 Cd N4 O6 S2 -","- C160 H168 Cd4 N16 O24 S8 -","4","0.5","LH2134","Ping, Lin; Wang, Zhi-Cheng; Ng, Seik Weng","Poly[[bis(<i>p</i>-toluenesulfonato-κ<i>O</i>)cadmium(II)]bis(μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>')]","Acta Crystallographica Section E","2006","62","8","m1880","m1881","10.1107/S1600536806027231","","","0.71073","MoKα","","0.046","0.034","","","0.089","0.097","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209945","8.74","0.0017","11.87","0.003","9.2749","0.0016","90","","117.022","0.013","90","","857.2","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rac-(R)-2-[(2R,5R)-5-Methyltetrahydrofuran-2-yl]propanoic acid","","- C8 H14 O3 -","- C8 H14 O3 -","- C32 H56 O12 -","4","1","LH2135","François Loiseau; Reinhard Neier; Helen Stoeckli-Evans","<i>rac</i>-(<i>R</i>)-2-[(2<i>R</i>,5<i>R</i>)-5-Methyltetrahydrofuran-2-yl]propanoic acid","Acta Crystallographica Section E","2006","62","8","o3407","o3409","10.1107/S160053680602705X","","","0.71073","MoKα","","0.0987","0.0605","","","0.1643","0.1861","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209946","33.283","0.005","9.2443","0.0013","23.979","0.004","90","","90","","90","","7378","2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","[(Ph3P)2P +] [AlCl4 -] . 0.5 CH2Cl2","1,1,1,3,3,3-hexaphenyltriphosphenium tetrachloroaluminate dichloromethane hemisolvate","","- C73 H62 Al2 Cl10 P6 -","- C36.5 H31 Al Cl5 P3 -","- C292 H248 Al8 Cl40 P24 -","8","2","LH2136","Ellis, Bobby D.; Macdonald, Charles L. B.","Redetermination of an acyclic triphosphenium tetrachloroaluminate salt at 173K","Acta Crystallographica Section E","2006","62","8","m1869","m1870","10.1107/S160053680602722X","","","0.71073","MoKα","","0.0633","0.0492","","","0.1176","0.131","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209947","8.8265","0.0007","11.559","0.0009","16.365","0.001","90","","101.323","0.001","90","","1637.1","0.2","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Nitrophenylimino)-1,2-diphenylethanone","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","1","LH2137","Sun, Shao-Fa; Ma, Rong-Ming; Ng, Seik Weng","2-(4-Nitrophenylimino)-1,2-diphenylethanone","Acta Crystallographica Section E","2006","62","8","o3422","o3423","10.1107/S1600536806027383","","","0.71073","MoKα","","0.0812","0.0591","","","0.1464","0.1601","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209948","20.1137","0.001","11.5719","0.0006","10.0137","0.0005","90","","91.35","0.003","90","","2330.1","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,9-Diazaoctacyclo[22.6.1.1^3,7^.1^9,16^.2^18,31^.0^10,15^.2^21,16^.0^24,29^] tetratriaconta-3,5,7(30),10(15),11,13,16(31),17,19,21,23(36),24(29), 25,27,32,34-hexadecaene","","- C34 H24 N2 -","- C34 H24 N2 -","- C136 H96 N8 -","4","1","LH2138","G. Senthil Kumar; K. Chinnakali; K. Sekar; P. Rajakumar; Hoong-Kun Fun","1,9-Diazaoctacyclo[22.6.1.1^3,7^.1^9,16^.2^18,31^.0^10,15^.2^21,16^.0^24,29^]tetratriaconta-3,5,7(30),10(15),11,13,16(31),17,19,21,23(36),24(29),25,27,32,34-hexadecaene","Acta Crystallographica Section E","2006","62","8","o3455","o3456","10.1107/S1600536806027693","","","0.71073","MoKα","","0.1306","0.0719","","","0.134","0.1608","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209949","8.618","0.006","9.213","0.006","16.785","0.011","90","","93.637","0.008","90","","1330","1.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","fagaramide","3-(1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)prop-2-enamide","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","LH2139","Bohle, D. Scott; Fotie, Jean","3-(1,3-Benzodioxol-5-yl)-<i>N</i>-(2-methylpropyl)prop-2-enamide (fagaramide)","Acta Crystallographica Section E","2006","62","8","o3537","o3538","10.1107/S1600536806028248","","","0.71073","MoKα","","0.0652","0.0432","","","0.1117","0.1337","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209950","11.887","0.001","11.557","0.001","12.531","0.001","90","","111.521","0.001","90","","1601.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro{4-chloro-2-[2-(isopropylamino)ethyliminomethyl]phenolato}copper(II)","","- C12 H17 Cl3 Cu N2 O -","- C12 H17 Cl3 Cu N2 O -","- C48 H68 Cl12 Cu4 N8 O4 -","4","1","LH2142","Hou, Han-Na","Dichloro{4-chloro-2-[2-(isopropylamino)ethyliminomethyl]phenolato}copper(II)","Acta Crystallographica Section E","2006","62","8","m1940","m1941","10.1107/S1600536806027905","","","0.71073","MoKα","","0.0454","0.032","","","0.0777","0.0828","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209951","15.405","0.006","4.8694","0.0019","13.587","0.005","90","","90","","90","","1019.2","0.7","571","2","571","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-Amino-3-(4-pyridylmethyleneamino)butenedinitrile","","- C10 H7 N5 -","- C10 H7 N5 -","- C40 H28 N20 -","4","1","LH2143","Wu, Jun-Sen; Xu, Hong-Kun; Shi, Jing-Min","2-Amino-3-(4-pyridylmethyleneamino)butenedinitrile","Acta Crystallographica Section E","2006","62","8","o3490","o3491","10.1107/S160053680602808X","","","0.71073","MoKα","","0.0433","0.0378","","","0.0956","0.0989","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209952","6.574","0.009","7.036","0.009","7.478","0.01","76.36","0.02","67.78","0.02","77.75","0.02","308.3","0.7","294","2","294","2","","","","","","","","3","P -1","-P 1","2","1,6-diazidodiamantane","1,6-Diazidodiamantane","","- C14 H18 N6 -","- C14 H18 N6 -","- C14 H18 N6 -","1","0.5","LH2144","Chu-Yi Yu; Qing-Yun Su; Qian Li; Li-Ben Wang","1,6-Diazidodiamantane","Acta Crystallographica Section E","2006","62","8","o3529","o3530","10.1107/S1600536806028091","","","0.71073","MoKα","","0.0988","0.0561","","","0.1575","0.1821","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209953","12.362","0.003","10.489","0.003","22.958","0.004","90","","103.17","0.03","90","","2898.6","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S)-3-(4-Amino-3-nitrophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid dichloromethane disolvate","","- C26 H25 Cl4 N3 O6 -","- C26 H25 Cl4 N3 O6 -","- C104 H100 Cl16 N12 O24 -","4","2","LH2148","Stefanowicz, Piotr; Jaremko, Łukasz; Jaremko, Mariusz; Staszewska, Anna; Szewczuk, Zbigniew; Bryndal, Iwona; Lis, Tadeusz","(2<i>S</i>)-3-(4-Amino-3-nitrophenyl)-2-(9<i>H</i>-fluoren-9-ylmethoxycarbonylamino)propanoic acid dichloromethane disolvate","Acta Crystallographica Section E","2006","62","8","o3555","o3557","10.1107/S1600536806028273","","","0.71073","MoKα","","0.1114","0.0614","","","0.1004","0.112","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209954","7.518","0.0015","6.715","0.0013","17.161","0.003","90","","102.75","0.03","90","","845","0.3","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","danshenol A","10-Acetonyl-10-hydroxy-1,6-dimethyl-1,2,10,11- tetrahydrophenanthro[1,2-b]furan-11-one","","- C21 H20 O4 -","- C21 H20 O4 -","- C42 H40 O8 -","2","1","NC2018","Ying Chang; Gang Xu; Qin-Shi Zhao; Yang Lu; Qi-Tai Zheng","10-Acetonyl-10-hydroxy-1,6-dimethyl-1,2,10,11-tetrahydrophenanthro[1,2-<i>b</i>]furan-11-one","Acta Crystallographica Section E","2006","62","8","o3235","o3236","10.1107/S1600536806025438","","","0.71073","MoKα","","0.0661","0.0649","","","0.1766","0.1789","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209955","7.7951","0.0008","9.5345","0.0009","11.805","0.001","71.034","0.009","78.564","0.009","76.671","0.009","800.11","0.14","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","2,2-Dimethyl-5-[(4-p-tolylthiazol-2-ylamino)methylene]-1,3- dioxane-4,6-dione","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C34 H32 N4 O8 S2 -","2","1","NC2019","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","2,2-Dimethyl-5-[(4-<i>p</i>-tolylthiazol-2-ylamino)methylene]-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2006","62","8","o3215","o3216","10.1107/S1600536806025116","","","1.5418","CuKα","","0.0732","0.0454","","","0.0961","0.1074","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209956","8.2017","0.0004","10.0447","0.0003","11.0222","0.0005","87.892","0.003","89.505","0.002","73.464","0.003","869.9","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(guanidinium) [diaquadi-μ~3~-hydrogencitrato-μ~2~-oxalato-dineodymium(III)] heptahydrate]","","- C16 H40 N6 Nd2 O27 -","- C16 H26 N6 Nd2 O27 -","- C16 H26 N6 Nd2 O27 -","1","0.5","NG2034","Grigoriev, Mikhail S.; Den Auwer, Christophe; Meyer, Daniel; Moisy, Philippe","Poly[bis(guanidinium) [diaquabis(μ~3~-hydrogencitrato)-μ~2~-oxalato-dineodymium(III)] heptahydrate]","Acta Crystallographica Section E","2006","62","8","m1725","m1727","10.1107/S1600536806023683","","","0.71073","MoKα","","0.0458","0.0332","","","0.0694","0.0737","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209957","11.52","0.002","11.079","0.002","12.169","0.002","90","","115.12","0.03","90","","1406.2","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","trans-Bis[(+)-(1R,4R)-3-benzoylcamphorato-κ^2^O,O']copper(II)","","- C34 H38 Cu O4 -","- C34 H38 Cu O4 -","- C68 H76 Cu2 O8 -","2","1","NG2041","Seo, Jang Woo; Niemeyer, Mark","<i>trans</i>-Bis[(+)-(1<i>R</i>,4<i>R</i>)-3-benzoylcamphorato-κ^2^<i>O</i>,<i>O</i>']copper(II)","Acta Crystallographica Section E","2006","62","8","m1863","m1865","10.1107/S1600536806027073","","","0.71073","MoKα","","0.0437","0.0371","","","0.09","0.0946","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209958","14.313","0.0007","9.2596","0.0005","14.8563","0.0007","90","","115.324","0.001","90","","1779.74","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Dimethyl sulfoxide-κO)[3-hydroxy-2-hydroxymethyl-2-(3-methoxy-2- oxidobenzylideneamino-κ^2^O^2^,N)propanolato-κO]dioxomolybdenum(VI)","","- C14 H21 Mo N O8 S -","- C14 H21 Mo N O8 S -","- C56 H84 Mo4 N4 O32 S4 -","4","1","NG2042","Sui, Yan; Fang, Xiao-Niu; Luo, Qiu-Yan; Chen, Hong-Mei; Zhou, Meng-Qiang","(Dimethyl sulfoxide-κ<i>O</i>)[3-hydroxy-2-hydroxymethyl-2-(3-methoxy-2-oxidobenzylideneamino-κ^2^<i>O</i>^2^,<i>N</i>)propanolato-κ<i>O</i>]dioxomolybdenum(VI)","Acta Crystallographica Section E","2006","62","8","m1994","m1996","10.1107/S1600536806028832","","","0.71073","MoKα","","0.0284","0.0266","","","0.0843","0.0857","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209959","9.942","0.002","11.011","0.002","12.458","0.003","104.422","0.004","105.294","0.004","94.445","0.003","1259","0.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","tris[N,N'-bis(2-hydroxyethyl)dithiocarbamato-κ^2^S,S']antimony(III)","","- C15 H30 N3 O6 S6 Sb -","- C15 H30 N3 O6 S6 Sb -","- C30 H60 N6 O12 S12 Sb2 -","2","1","NG2043","Tiekink, Edward R. T.; Young, David J.","A low-temperature refinement of tris[<i>N</i>,<i>N</i>'-bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']antimony(III)","Acta Crystallographica Section E","2006","62","8","m1887","m1889","10.1107/S1600536806027061","","","0.7107","MoKα","","0.021","0.02","","","0.051","0.051","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209960","6.8545","0.0014","8.2037","0.0016","14.324","0.003","105.15","0.03","98.85","0.03","94.75","0.03","761.8","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","Poly[[pyrazino[2,3-f][1,10]phenanthroline]copper(II)]- μ~4~-fumarato-μ~2~-fumarato]","","- C18 H10 Cu N4 O4 -","- C18 H10 Cu N4 O4 -","- C36 H20 Cu2 N8 O8 -","2","1","NG2047","Guang-Bo Che; Chun-Bo Liu; Zhan-Lin Xu","Poly[[[pyrazino[2,3-<i>f</i>][1,10]phenanthroline]copper(II)]-μ~4~-fumarato-μ~2~-fumarato]","Acta Crystallographica Section E","2006","62","8","m1948","m1949","10.1107/S1600536806028376","","","0.71073","MoKα","","0.0479","0.036","","","0.0745","0.0795","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209961","9.4657","0.0014","16.749","0.003","17.181","0.003","90","","101.714","0.002","90","","2667.2","0.8","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[bis(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')cadmium(II)]-μ- terephthalato-κ^2^O:O'] monohydrate]","","- C20 H18 Cd N8 O5 S4 -","- C20 H18 Cd N8 O5 S4 -","- C80 H72 Cd4 N32 O20 S16 -","4","0.5","NG2049","Liang-Jun Zhang; Bing-Xin Liu; Hang-Qun Ge; Duan-Jun Xu","<i>catena</i>-Poly[[[bis(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-terephthalato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2006","62","8","m1944","m1945","10.1107/S1600536806028121","","","0.71073","MoKα","","0.069","0.046","","","0.094","0.103","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209962","11.29","0.002","13.795","0.002","34.421","0.004","90","","90","","90","","5360.9","1.4","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Bis[diphenyl(phenylsulfanylmethyl)diphenylphosphine- κP]bis(pentafluorophenyl)gold(III) perchlorate chloroform solvate","","- C51 H35 Au Cl4 F10 O4 P2 S2 -","- C51 H35 Au Cl4 F10 O4 P2 S2 -","- C204 H140 Au4 Cl16 F40 O16 P8 S8 -","4","1","NG2055","Jones, Peter G.; Fernández, Eduardo J.; López-de-Luzuriaga, José M.; Monge, Miguel; Laguna, Antonio","<i>cis</i>-Bis[diphenyl(phenylsulfanylmethyl)diphenylphosphine-κ<i>P</i>]bis(pentafluorophenyl)gold(III) perchlorate chloroform solvate","Acta Crystallographica Section E","2006","62","8","m1997","m1999","10.1107/S1600536806028856","","","0.71073","MoKα","","0.0559","0.0373","","","0.0657","0.0692","","","","","","0.92","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209963","8.645","0.002","10.888","0.003","13.503","0.003","112.98","0.03","100.46","0.03","93.32","0.03","1139","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-methylquinolinium) tetrachloroferrate(III) chloride","","- C20 H20 Cl5 Fe N2 -","- C20 H20 Cl5 Fe N2 -","- C40 H40 Cl10 Fe2 N4 -","2","1","OB2024","Dariusz Wyrzykowski; Artur Sikorski; Tadeusz Lis; Antoni Konitz; Zygmunt Warnke","Bis(2-methylquinolinium) tetrachloroferrate(III) chloride","Acta Crystallographica Section E","2006","62","8","m1737","m1739","10.1107/S1600536806024172","","","0.71073","MoKα","","0.0291","0.0264","","","0.0654","0.0674","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209964","12.1784","0.0011","12.5143","0.0012","13.5682","0.0012","104.597","0.001","110.77","0.001","95.96","0.001","1827.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Octa-n-butylbis(μ~2~-4-chloro-3,5-dinitrobenzoato-κ^2^O:O')bis(4-chloro- 3,5-dinitrobenzoato-κO)di-μ~3~-oxo-tetratin(IV)","","- C60 H80 Cl4 N8 O26 Sn4 -","- C60 H80 Cl4 N8 O26 Sn4 -","- C60 H80 Cl4 N8 O26 Sn4 -","1","0.5","OB2032","Aziz-ur-Rehman; Shahzadi, Saira; Ali, Saqib; Helliwell, Madeleine","Octa-<i>n</i>-butylbis(μ~2~-4-chloro-3,5-dinitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis(4-chloro-3,5-dinitrobenzoato-κ<i>O</i>)di-μ~3~-oxo-tetratin(IV)","Acta Crystallographica Section E","2006","62","8","m1734","m1736","10.1107/S1600536806024627","","","0.71073","MoKα","","0.0373","0.0322","","","0.083","0.0859","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209965","16.978","0.0013","10.7099","0.0008","18.617","0.0014","90","","90","","90","","3385.2","0.4","292","2","292","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tris(dimethylammonium) tris(pyridine-2,6-dicarboxylato-κ^3^N,O,O')europium(III) dihydrate","","- C27 H37 Eu N6 O14 -","- C27 H37 Eu N6 O14 -","- C108 H148 Eu4 N24 O56 -","4","0.5","OB2036","Bing Jia; Xiang-Gao Meng; Shao-Min Shi; Zong-Qiu Hu; Fei-Hua Luo","Tris(dimethylammonium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')europate(III) dihydrate","Acta Crystallographica Section E","2006","62","8","m1799","m1801","10.1107/S1600536806025700","","","0.71073","MoKα","","0.0435","0.031","","","0.0694","0.0734","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209966","11.915","0.005","4.0811","0.0017","22.546","0.009","90","","100.151","0.007","90","","1079.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Fluoroanalino)-4,5-dimethyl-1,3-thiazole","","- C11 H11 F N2 S -","- C11 H11 F N2 S -","- C44 H44 F4 N8 S4 -","4","1","OB2037","Jumal, Juliana; Latip, Jalifah; Yamin, Bohari M.","2-(4-Fluoroanilino)-4,5-dimethyl-1,3-thiazole","Acta Crystallographica Section E","2006","62","8","o3305","o3306","10.1107/S1600536806026353","","","0.71073","MoKα","","0.092","0.064","","","0.14","0.152","","","","","","1.14","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209967","7.9365","0.001","16.1757","0.0014","11.0023","0.0008","90","","103.798","0.007","90","","1371.7","0.2","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","o-Nitrobenzoic acid anhydride","","- C14 H8 N2 O7 -","- C14 H8 N2 O7 -","- C56 H32 N8 O28 -","4","1","OB2038","Huelgas, Gabriela; Quintero, Leticia; Anaya de Parrodi, Cecilia; Bernès, Sylvain","<i>o</i>-Nitrobenzoic acid anhydride","Acta Crystallographica Section E","2006","62","8","o3191","o3192","10.1107/S1600536806024639","","","0.71073","MoKα","","0.0676","0.0477","","","0.1175","0.1295","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209968","9.2676","0.0007","9.2676","0.0007","15.55","0.002","90","","90","","90","","1335.6","0.2","291","2","291","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","Poly[bis[bis(ethylenediamine)copper(II)]-tetra-μ-cyano- [tetracyanomolybdate(IV)]]","","- C16 H32 Cu2 Mo N16 -","- C16 H32 Cu2 Mo N16 -","- C32 H64 Cu4 Mo2 N32 -","2","0.25","OM2025","Shu-Zhong Zhan; Jian-Ge Wang; Bang-Tun Zhao; Zhi-Yuan Huang; Min-lang Cai","Poly[bis[bis(ethylenediamine)copper(II)]-tetra-μ-cyano-[tetracyanomolybdate(IV)]]","Acta Crystallographica Section E","2006","62","8","m1845","m1846","10.1107/S1600536806026535","","","0.71073","MoKα","","0.0358","0.0265","","","0.056","0.0589","","","","","","0.96","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209969","7.081","0.007","11.39","0.012","12.952","0.013","107.159","0.013","95.004","0.013","104.337","0.012","952.4","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Aqua(2,2'-bipyridyl)(6-carboxypyridine-2-carboxylato)copper(II) nitrate monohydrate","","- C17 H16 Cu N4 O9 -","- C17 H16 Cu N4 O9 -","- C34 H32 Cu2 N8 O18 -","2","1","OM2029","Xindian Dong; Zhigang Zhang","Aqua(2,2'-bipyridyl)(6-carboxypyridine-2-carboxylato)copper(II) nitrate monohydrate","Acta Crystallographica Section E","2006","62","8","m1841","m1842","10.1107/S1600536806026547","","","0.71073","MoKα","","0.0809","0.06","","","0.1182","0.125","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209970","11.249","0.002","6.179","0.0012","17.276","0.004","90","","103.04","0.03","90","","1169.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Chloro-2-{(E)-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl- 1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methyliminomethyl}phenol monohydrate","","- C27 H34 Cl N O -","- C27 H34 Cl N O -","- C54 H68 Cl2 N2 O2 -","2","1","OM2030","Xiao-Ping Rao; Zhan-Qian Song; Yun Gong; Xu-Jie Yao; Shi-Bin Shang","4-Chloro-2-{(<i>E</i>)-[(1<i>R</i>,4a<i>S</i>,10a<i>R</i>)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methyliminomethyl}phenol","Acta Crystallographica Section E","2006","62","8","o3450","o3451","10.1107/S1600536806027747","","","0.71073","MoKα","","0.1017","0.0605","","","0.1352","0.1597","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209971","8.3642","0.0006","12.0104","0.0009","7.6033","0.0004","90","","101.79","0.004","90","","747.69","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ammonium dicyano(cyanoacetyl)methanide","","- C6 H6 N4 O -","- C6 H6 N4 O -","- C24 H24 N16 O4 -","4","1","OM2031","Oliveira, Vanessa E. de; Diniz, Renata; Rodrigues, Bernardo L.; Oliveira, Luiz Fernando C. de","Ammonium dicyano(cyanoacetyl)methanide: one condensation product of malononitrile","Acta Crystallographica Section E","2006","62","8","o3358","o3360","10.1107/S1600536806026572","","","0.71073","MoKα","","0.1123","0.0669","","0.1527","","0.1421","","","0.944","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209972","11.5242","0.0011","10.2024","0.001","13.4072","0.0013","90","","95.446","0.004","90","","1569.2","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-tert-Butylbenzyl)-1H-indole-3-carbaldehyde","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","OM2033","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","1-(4-<i>tert</i>-Butylbenzyl)-1<i>H</i>-indole-3-carbaldehyde","Acta Crystallographica Section E","2006","62","8","o3380","o3381","10.1107/S1600536806026900","","","1.54178","CuKα","","0.0409","0.0395","","","0.106","0.1074","","","","","","1.078","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209973","18.4633","0.0005","19.9786","0.0006","14.4636","0.0004","90","","114.688","0.001","90","","4847.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,3,12,13-Tetrabromo-5,10,15,20-tetraphenylporphyrin)dipyridineiron(II) pyridine solvate","","- C59 H39 Br4 Fe N7 -","- C60 H38.98 Br4 Fe N6 -","- C240 H155.92 Br16 Fe4 N24 -","4","0.5","OM2034","Scheidt, W. Robert; Noll, Bruce C.","Dipyridine(2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin)iron(II) pyridine solvate","Acta Crystallographica Section E","2006","62","8","m1892","m1894","10.1107/S1600536806027206","","","0.71073","MoKα","","0.0513","0.0365","","","0.1002","0.1082","","","","","","1.095","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209974","10.305","0.003","10.681","0.004","17.584","0.006","92.012","0.005","105.451","0.004","115.978","0.004","1651.1","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Chloro[2-{1-[N-(4-methylbenzyl)-N-methylamino]ethyl}ferrocenyl- κ^2^N,C^1^](triphenylphosphine-κP)palladium(II)","","- C39 H39 Cl Fe N P Pd -","- C39 H39 Cl Fe N P Pd -","- C78 H78 Cl2 Fe2 N2 P2 Pd2 -","2","1","OM2036","Feng-Ying Geng; Jian Xu; Hong-Fei Wu; Ren-Qing Gao; Hong-Xing Wang","Chloro[2-{1-[<i>N</i>-methyl-<i>N</i>-(4-methylbenzyl)amino]ethyl}ferrocenyl-κ^2^<i>N</i>,<i>C</i>^1^](triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section E","2006","62","8","m1912","m1913","10.1107/S1600536806027759","","","0.71073","MoKα","","0.0408","0.0286","","","0.0648","0.0677","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209975","11.6285","0.0012","11.6285","0.0012","10.894","0.002","90","","90","","120","","1275.7","0.3","294","2","294","2","","","","","","","","5","P 32","P 32","145","","1-oxo-6-(2-phenylacetylamino)-1-penicillanic acid","","- C16 H18 N2 O5 S -","- C16 H18 N2 O5 S -","- C48 H54 N6 O15 S3 -","3","1","RN2008","Duan, Er-Hong; Zhao, Di-Shun; Wang, Juan; Li, Mei-Ling","1-Oxo-6-(2-phenylacetylamino)-1-penicillanic acid","Acta Crystallographica Section E","2006","62","8","o3249","o3250","10.1107/S1600536806025219","","","0.71073","MoKα","","0.0648","0.0385","","","0.0727","0.0819","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209976","12.1493","0.0008","16.9135","0.0011","8.9264","0.0006","90","","108.918","0.001","90","","1735.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[[diaquatris(μ-benzene-1,4-dioxydiacetato)dilanthanum(III)] dihydrate]","","- C30 H32 La2 O22 -","- C30 H32 La2 O22 -","- C60 H64 La4 O44 -","2","0.5","RN2009","Xiao-Feng Li; Zheng-Bo Han","Poly[[diaquatris(μ-benzene-1,4-dioxydiacetato)dilanthanum(III)] dihydrate]","Acta Crystallographica Section E","2006","62","8","m1961","m1963","10.1107/S1600536806028510","","","0.71073","MoKα","","0.0277","0.0255","","","0.0633","0.0645","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209977","6.725","0.003","8.845","0.002","9.941","0.001","91.41","0.02","90.98","0.02","98.49","0.002","584.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl (Z)-2-(bromomethyl)-3-(3,4-methylenedioxyphenyl)prop-2-enoate","","- C12 H11 Br O4 -","- C12 H11 Br O4 -","- C24 H22 Br2 O8 -","2","1","RZ2046","Bortoluzzi, Adailton J.; Fernandes, Luciano; Sá, Marcus M.","Methyl (<i>Z</i>)-2-(bromomethyl)-3-(3,4-methylenedioxyphenyl)prop-2-enoate","Acta Crystallographica Section E","2006","62","8","o3391","o3392","10.1107/S160053680602695X","","","0.71069","MoKα","","0.0617","0.0392","","","0.1019","0.111","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209978","5.3504","0.0013","6.7371","0.0017","10.228","0.003","99.582","0.004","96.152","0.004","106.527","0.004","343.83","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Bis(2-methylphenyl)oxamide","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","1","0.5","RZ2050","Yong-Hong Wen; Li-Li Xu; Xue-Mei Li; Shu-Sheng Zhang","<i>N</i>,<i>N</i>'-Bis(2-methylphenyl)oxamide","Acta Crystallographica Section E","2006","62","8","o3276","o3277","10.1107/S1600536806025992","","","0.71073","MoKα","","0.0609","0.0527","","","0.1454","0.1555","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209979","12.723","0.003","14.082","0.003","15.462","0.003","73.74","0.03","88.11","0.03","75.17","0.03","2568.6","1.1","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","bis[μ-2,2'-(butane-1,4-diyl)-1H-benzimidazole- κ^2^N^3^:N^3'^]bis[diacetatocobalt(II)] ethanol disolvate","","- C48 H60 Co2 N8 O10 -","- C48 H60 Co2 N8 O10 -","- C96 H120 Co4 N16 O20 -","2","1","RZ2052","Ling Ye","Bis[μ-2,2'-(butane-1,4-diyl)di-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[diacetatocobalt(II)] ethanol disolvate","Acta Crystallographica Section E","2006","62","8","m1882","m1883","10.1107/S160053680602736X","","","0.71073","MoKα","","0.0899","0.0527","","","0.1368","0.1506","","","","","","0.941","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209980","11.7057","0.0006","12.4768","0.0006","14.0759","0.0007","90.091","0.004","100.293","0.004","100.519","0.004","1987.46","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Bis[N-(5,7-dibromoquinolin-8-yl)-3,5-bis(trifluoromethyl)benzenesulfonamidato- κ^2^N,N']zinc(II)","","- C34 H14 Br4 F12 N4 O4 S2 Zn -","- C34 H14 Br4 F12 N4 O4 S2 Zn -","- C68 H28 Br8 F24 N8 O8 S4 Zn2 -","2","1","RZ2053","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","Bis[<i>N</i>-(5,7-dibromoquinolin-8-yl)-3,5-bis(trifluoromethyl)benzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']zinc(II)","Acta Crystallographica Section E","2006","62","8","m1901","m1903","10.1107/S1600536806027358","","","0.71073","MoKα","","0.0483","0.042","","","0.0957","0.1001","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209981","5.6582","0.0016","17.453","0.005","11.833","0.003","90","","97.102","0.005","90","","1159.6","0.6","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(cyclohexyliminomethyl)cyclohexanol","","- C13 H17 N O -","- C13 H17 N O -","- C52 H68 N4 O4 -","4","1","RZ2054","Wu Li; Tao Zeng; Yang Li","4-(Cyclohexyliminomethyl)phenol","Acta Crystallographica Section E","2006","62","8","o3432","o3433","10.1107/S1600536806027279","","","0.71073","MoKα","","0.0748","0.0412","","","0.0957","0.1158","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209982","6.962","0.002","16.343","0.005","16.934","0.005","90","","101.803","0.006","90","","1886","1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-(2,3-Dimethoxybenzylidene)-5-methyl-1-phenyl-1H-pyrazole-4-carbohydrazide","","- C20 H20 N4 O3 -","- C20 H20 N4 O3 -","- C80 H80 N16 O12 -","4","1","RZ2055","Shu-Wen Wang; Li-Rong Wen; Yan-Fang Miao","<i>N</i>'-(2,3-Dimethoxybenzylidene)-5-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbohydrazide","Acta Crystallographica Section E","2006","62","8","o3471","o3472","10.1107/S1600536806027796","","","0.71073","MoKα","","0.1686","0.0526","","","0.1046","0.1492","","","","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209983","9.3654","0.0012","5.7915","0.0007","16.042","0.002","90","","91.14","0.003","90","","869.94","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[Hexane-1,6-diylbis(nitrilomethylidyne)]diphenol","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","0.5","RZ2056","Sheikhshoaie, Iran; Sharif, Mahboubeh A.","2,2'-[Hexane-1,6-diylbis(nitrilomethylidyne)]diphenol","Acta Crystallographica Section E","2006","62","8","o3563","o3565","10.1107/S1600536806028157","","","0.71073","MoKα","","0.0736","0.0531","","","0.1008","0.1096","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209984","5.9478","0.0015","7.7276","0.0012","9.428","0.002","90","","104.274","0.009","90","","419.95","0.15","115","","115","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Bromomethyl)trimethylammonium tetrafluoroborate","","- C4 H11 B Br F4 N -","- C4 H11 B Br F4 N -","- C8 H22 B2 Br2 F8 N2 -","2","0.5","RZ2057","Claville, Michelle O.; Payne, Roosevelt; Fronczek, Frank R.","(Bromomethyl)trimethylammonium tetrafluoroborate","Acta Crystallographica Section E","2006","62","8","o3452","o3454","10.1107/S1600536806027188","","","0.71073","MoKα","","0.037","0.027","","","0.053","0.056","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209985","5.2113","0.0002","10.2567","0.0004","11.4044","0.0005","84.034","0.001","80.011","0.001","79.4","0.001","588.45","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Dicyclohexylamine hydrogen peroxide hemisolvate","","- C12 H24 N O -","- C12 H24 N O -","- C24 H48 N2 O2 -","2","1","RZ2058","Churakov, Andrei V.; Chetina, Olga V.; Howard, Judith A. K.","Dicyclohexylamine hydrogen peroxide hemisolvate","Acta Crystallographica Section E","2006","62","8","o3503","o3505","10.1107/S1600536806028030","","","0.71073","MoKα","","0.0561","0.0438","","","0.1203","0.1296","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209986","5.6176","0.0004","9.1414","0.0005","16.1195","0.0007","90","","90","","90","","827.78","0.08","150","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-Perhydrobenzimidazolium-2-carboxylate","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C32 H56 N8 O8 -","4","1","RZ2059","Biskupska, Inga; Jaruta, Katarzyna; Gdaniec, Maria","(2<i>S</i>,3a<i>R</i>,7a<i>R</i>)-Perhydro-1<i>H</i>-1,3-benzimidazol-1-ium-2-carboxylate","Acta Crystallographica Section E","2006","62","8","o3434","o3436","10.1107/S1600536806027346","","","0.71073","MoKα","","0.0295","0.029","","","0.0704","0.0707","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209987","11.2294","0.0006","7.5234","0.0004","31.1642","0.0015","90","","92.824","0.001","90","","2629.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[5-(benzylsulfanyl)-1,3,4-oxadiazol-2-yl]pyridine","","- C14 H11 N3 O S -","- C14 H11 N3 O S -","- C112 H88 N24 O8 S8 -","8","2","RZ2060","Singh, N. K.; Butcher, Ray J.; Bharty, Manoj Kumar; Srivastava, Ajay K.; Tripathi, Pratibha","4-[5-(Benzylsulfanyl)-1,3,4-oxadiazol-2-yl]pyridine from a single-pot reaction","Acta Crystallographica Section E","2006","62","8","o3473","o3474","10.1107/S1600536806027814","","","0.71073","MoKα","","0.0924","0.0473","","","0.1077","0.1254","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209988","11.171","0.001","7.423","0.001","23.654","0.003","90","","92.521","0.001","90","","1959.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(1-{[3-(cyclohexylammonio)propyl]iminomethyl}naphthalen-2-olato)cobalt(II) dichloride dihydrate","","- C40 H56 Cl2 Co N4 O4 -","- C40 H56 Cl2 Co N4 O4 -","- C80 H112 Cl4 Co2 N8 O8 -","2","0.5","RZ2061","Qing Wang; Xiao-Niu Fang","Bis(1-{[3-(cyclohexylammonio)propyl]iminomethyl}naphthalen-2-olato)cobalt(II) dichloride dihydrate","Acta Crystallographica Section E","2006","62","8","m1946","m1947","10.1107/S1600536806027863","","","0.71073","MoKα","","0.0671","0.0496","","","0.1477","0.1617","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209989","10.657","0.002","14.412","0.003","14.699","0.003","62.88","0.03","88.32","0.03","72.02","0.03","1894.6","1","100","2","","","","","","","","","","6","P -1","-P 1","2","","Triaquabis(tri-<i>tert</i>-butoxysilanethiolato)barium","","- C24 H60 Ba O9 S2 Si2 -","- C24 H60 Ba O9 S2 Si2 -","- C48 H120 Ba2 O18 S4 Si4 -","2","1","RZ2063","Jesionka, Elzbieta; Chojnacki, Jaroslaw; Wojnowski, Wieslaw","Triaquabis(tri-<i>tert</i>-butoxysilanethiolato)barium","Acta Crystallographica Section E","2006","62","8","m1982","m1984","10.1107/S1600536806028054","","","0.71073","MoKα","","","0.0681","","","","0.1742","","","","","","1.106","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209990","9.2766","0.0001","25.0761","0.0003","7.0947","0.0001","90","","101.935","0.001","90","","1614.7","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(2,5-Dimethoxybenzyl)-9H-carbazole","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","RZ2067","G. Senthil Kumar; K. Chinnakali; K. Sekar; P. Rajakumar; Hoong-Kun Fun","9-(2,5-Dimethoxybenzyl)-9<i>H</i>-carbazole: sheets built from C—H···π and π‒π interactions","Acta Crystallographica Section E","2006","62","8","o3594","o3596","10.1107/S1600536806028790","","","0.71073","MoKα","","0.0635","0.0463","","","0.1225","0.1372","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209991","10.3729","0.0001","13.136","0.0002","18.341","0.0002","90","","105.573","0.001","90","","2407.37","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Bis[(carbazol-9-yl)methyl]-1-methoxybenzene","","- C33 H26 N2 O -","- C33 H26 N2 O -","- C132 H104 N8 O4 -","4","1","RZ2068","G. Senthil Kumar; K. Chinnakali; K. Sekar; P. Rajakumar; Hoong-Kun Fun","3,5-Bis[(carbazol-9-yl)methyl]-1-methoxybenzene","Acta Crystallographica Section E","2006","62","8","o3597","o3599","10.1107/S1600536806028789","","","0.71073","MoKα","","0.0619","0.0483","","","0.1261","0.1352","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209992","19.338","0.009","12.299","0.004","14.677","0.004","90","","98.12","0.03","90","","3456","2","298","1","298","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,2-Bis(4-chloroformylbenzyl)-1,1,1,3,3,3-hexafluoropropane","4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)bis(benzoyl chloride)","","- C17 H8 Cl2 F6 O2 -","- C17 H8 Cl2 F6 O2 -","- C136 H64 Cl16 F48 O16 -","8","1","SA2010","Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Macossay, Javier; Cassidy, Patrick E.","4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)bis(benzoyl chloride)","Acta Crystallographica Section E","2006","62","8","o3602","o3603","10.1107/S1600536806028236","","","0.71073","MoKα","","0.117","0.0639","","","0.1534","0.1955","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209993","9.94","0.002","11.202","0.005","21.71","0.009","90","","90.68","0.04","90","","2417.2","1.6","298","1","298","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,2-Bis[4-(4-fluorobenzoyl)benzyl]hexafluoropropane","4-Fluorophenyl 4-{1,1,1,3,3,3-hexafluoro-2-[4-(4-fluorobenzoyl)phenyl]-2-propyl}phenyl ketone","","- C29 H16 F8 O2 -","- C29 H16 F8 O2 -","- C116 H64 F32 O8 -","4","1","SA2011","Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Macossay, Javier; Cassidy, Patrick E.","4-Fluorophenyl 4-{1,1,1,3,3,3-hexafluoro-2-[4-(4-fluorobenzoyl)phenyl]-2-propyl}phenyl ketone","Acta Crystallographica Section E","2006","62","8","o3600","o3601","10.1107/S1600536806028224","","","0.71073","MoKα","","0.1292","0.0564","","","0.1228","0.1614","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209994","31.407","0.006","10.12","0.001","10.342","0.001","90","","106.94","0.02","90","","3144.5","0.8","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis[4-nitro-N-(quinolin-8-yl)benzenesulfonamidato-κ^2^N,N']zinc(II)","","- C30 H22 N6 O9 S2 Zn -","- C30 H22 N6 O9 S2 Zn -","- C120 H88 N24 O36 S8 Zn4 -","4","0.5","SA2012","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","Aquabis[4-nitro-<i>N</i>-(quinolin-8-yl)benzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']zinc(II)","Acta Crystallographica Section E","2006","62","8","m1773","m1775","10.1107/S1600536806025530","","","1.5418","CuKα","","0.0523","0.0389","","","0.1074","0.1159","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209995","7.6377","0.0007","7.8268","0.0007","11.0427","0.001","90","","90","","90","","660.12","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2S,3S)-2,3-Dihydroxysuccinic acid monohydrate","","- C4 H8 O7 -","- C4 H8 O7 -","- C16 H32 O28 -","4","1","SG2032","Qing-Bao Song; Ming-Yu Teng; Yu Dong; Chun-An Ma; Jie Sun","(2<i>S</i>,3<i>S</i>)-2,3-Dihydroxysuccinic acid monohydrate","Acta Crystallographica Section E","2006","62","8","o3378","o3379","10.1107/S1600536806021738","","","0.71073","MoKα","","0.0478","0.0467","","","0.1243","0.1255","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209996","8.629","0.002","13.664","0.005","15.158","0.004","90","","90","","90","","1787.2","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3a,5b-Dimethyl-2,3,3a,4,5,5a,5b,6,7,13,13a,13b-dodecahydro- 1H-8-azacyclopenta[<i>a</i>]chrysen-3-ol","","- C22 H29 N O -","- C22 H29 N O -","- C88 H116 N4 O4 -","4","1","SG2033","Ji-Zhong Yan; Jian Li; Guo-Wu Rao","3a,5b-Dimethyl-2,3,3a,4,5,5a,5b,6,7,13,13a,13b-dodecahydro-1<i>H</i>-8-azacyclopenta[<i>a</i>]chrysen-3-ol","Acta Crystallographica Section E","2006","62","8","o3506","o3507","10.1107/S1600536806021763","","","0.71073","MoKα","","0.0475","0.0392","","","0.1076","0.1125","","","","","","1.067","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209997","8.5817","0.0012","8.9505","0.0014","18.375","0.003","90","","90","","90","","1411.4","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","SG2039","Xiang Chao Zeng; Li Hong Li; Ying Zhou Cen","(<i>S</i>)-Methyl 2-[(furan-2-carbonyl)amino]-3-phenylpropanoate","Acta Crystallographica Section E","2006","62","8","o3254","o3255","10.1107/S160053680602335X","","","0.71073","MoKα","","0.0329","0.0289","","","0.07","0.0726","","","","","","1.071","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209998","8.558","0.01","7.285","0.009","20.04","0.02","90","","90.01","0.008","90","","1249","2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(4-bromo-benzoyl)-3,3-bis-methylsulfanyl-acrylonitrile","2-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile","","- C11 H10 Br N S2 -","- C11 H10 Br N S2 -","- C44 H40 Br4 N4 S8 -","4","1","SG2040","Tao Peng; Ying Fu; Chu-Yi Yu; Li-Ben Wang; Zhi-Tang Huang","2-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile","Acta Crystallographica Section E","2006","62","8","o3382","o3383","10.1107/S1600536806026481","","","0.71073","MoKα","","0.0823","0.053","","","0.1301","0.1445","","","","","","1.085","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209999","7.3407","0.0005","13.5532","0.0014","15.4384","0.0009","90","","90","","90","","1536","0.2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,5,-Tri-<i>O</i>-acetyl-1-(2-chloroethyl)-β-D-ribofuranose","","- C13 H19 Cl O8 -","- C13 H19 Cl O8 -","- C52 H76 Cl4 O32 -","4","1","SG2041","Constable, Edwin C.; Housecroft, Catherine E.; Mahmood, Azad; Neuburger, Markus; Schaffner, Silvia","2,3,5-Tri-<i>O</i>-acetyl-1-(2-chloroethyl)-β-<small>D</small>-ribofuranose","Acta Crystallographica Section E","2006","62","8","o3151","o3153","10.1107/S1600536806024706","","","0.71073","MoKα","","0.0461","0.029","","0.034","0.0326","0.0326","","","","","","1.0728","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210000","3.9148","0.0002","10.1977","0.0005","30.8052","0.0014","90","","90","","90","","1229.8","0.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-Fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 F O2 -","- C16 H13 F O2 -","- C64 H52 F4 O8 -","4","1","SG2042","Harrison, William T. A.; Yathirajan, H. S.; Anilkumar, H. G.; Sarojini, B. K.; Narayana, B.","1-(4-Fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","8","o3251","o3253","10.1107/S160053680602530X","","","0.71073","MoKα","","0.0505","0.0363","","","0.0739","0.0833","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210001","10.2431","0.0002","10.4949","0.0002","16.6533","0.0003","97.1857","0.0007","103.552","0.0009","101.438","0.0009","1677.96","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","[2-(Diphenylphosphino-κP)benzaldehyde]gold(I) chloride","","- C19 H15 Au Cl O P -","- C19 H15 Au Cl O P -","- C76 H60 Au4 Cl4 O4 P4 -","4","2","SG2043","Elsegood, Mark R. J.; Smith, Martin B.; Dale, Sophie H.","[2-(Diphenylphosphino-κ<i>P</i>)benzaldehyde]gold(I) chloride","Acta Crystallographica Section E","2006","62","8","m1850","m1852","10.1107/S1600536806026432","","","0.71073","MoKα","","0.0422","0.0373","","","0.0971","0.1002","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210002","21.9381","0.0015","15.1277","0.0015","7.632","0.0005","90","","100.877","0.009","90","","2487.4","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-(2-Bromobenzylamino)purine monohydrate","","- C12 H12 Br N5 O -","- C12 H12 Br N5 O -","- C96 H96 Br8 N40 O8 -","8","1","SG2044","Trávníček, Zdeněk; Rosenker, Christopher J.","6-(2-Bromobenzylamino)purine monohydrate","Acta Crystallographica Section E","2006","62","8","o3393","o3395","10.1107/S1600536806026419","","","0.71073","MoKα","","0.0403","0.0359","","","0.0937","0.1063","","","","","","1.139","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210003","14.1379","0.0009","15.3995","0.001","25.9625","0.0016","90","","103.435","0.001","90","","5497.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetra-μ-benzoato-bis[benzoato(2,2-bipyridyl)terbium(III)]","","- C62 H46 N4 O12 Tb2 -","- C62 H46 N4 O12 Tb2 -","- C248 H184 N16 O48 Tb8 -","4","1","SG2045","Shu-Ping Wang; Zhi-Hua Gao; Li-Juan Xu; Rui-Feng Wang","Tetra-μ-benzoato-bis[benzoato(2,2-bipyridyl)terbium(III)]","Acta Crystallographica Section E","2006","62","8","m1853","m1855","10.1107/S1600536806026493","","","0.71073","MoKα","","0.0426","0.027","","","0.0551","0.0594","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210004","7.149","0.004","8.649","0.005","9.973","0.005","67.462","0.005","89.982","0.007","78.35","0.007","555.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 2-(methoxyacetylamino)benzoate","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","SG2046","Qing-Xiang Liu; Feng-Jin Cheng; Li-Na Yin; Jian-Hua Guo","Methyl 2-(methoxyacetylamino)benzoate","Acta Crystallographica Section E","2006","62","8","o3374","o3375","10.1107/S1600536806026468","","","0.71073","MoKα","","0.095","0.0572","","","0.1524","0.1696","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210005","10.0016","0.0002","9.013","0.0002","30.2234","0.0006","90","","91.729","0.0012","90","","2723.23","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triphenylbenzylphosphonium trichloro(propiononitrile)platinum(II)","","- C28 H27 Cl3 N P Pt -","- C28 H27 Cl3 N P Pt -","- C112 H108 Cl12 N4 P4 Pt4 -","4","1","SG2047","Luzyanin, Konstantin V.; Haukka, Matti; Izotova, Yulia A.; Pombeiro, Armando J.L.; Kukushkin, Vadim Yu.","Triphenylbenzylphosphonium trichloro(propiononitrile)platinate(II)","Acta Crystallographica Section E","2006","62","8","m1843","m1844","10.1107/S1600536806026456","","","0.71073","MoKα","","0.0537","0.0324","","","0.0552","0.0604","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210006","6.565","0.003","9.599","0.004","12.748","0.005","85.25","0.03","84.08","0.03","82.71","0.03","790.6","0.6","291","2","291","2","","","","","","","","5","P 1","P 1","1","","Cinchonidinium bis(4-methylbenzenesulfonate) monohydrate","","- C33 H40 N2 O8 S2 -","- C33 H40 N2 O8 S2 -","- C33 H40 N2 O8 S2 -","1","1","SG2048","Hui-Min Zhang; Bing Tu; Zhi-Min Jin; Zhi-Yong Wu; Mao-Lin Hu","Cinchonidinium bis(4-methylbenzenesulfonate) monohydrate","Acta Crystallographica Section E","2006","62","8","o3398","o3400","10.1107/S160053680602650X","","","0.71073","MoKα","","0.0495","0.0423","","","0.1098","0.1128","","","","","","1.049","","","","has coordinates,has Fobs","202023","2020-10-21","18:00:00",""
"2210007","8.6327","0.0001","16.361","0.0003","8.4883","0.0001","90","","98.117","0.001","90","","1186.87","0.03","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Dimethylamino-1,1-dioxo-4,5,6,7-tetrahydro-1H-λ^6^-thia-2,3a,8a-triaza-cyclopenta[a]inden-8-one","","- C10 H14 N4 O3 S -","- C10 H14 N4 O3 S -","- C40 H56 N16 O12 S4 -","4","1","TK2049","Liepa, Andris J.; Jahangiri, Saba; Fallon, Gary D.; Forsyth, Craig M.","3-Dimethylamino-1,1-dioxo-4,5,6,7-tetrahydro-1<i>H</i>-λ^6^-thia-2,3a,8a-triazacyclopenta[<i>a</i>]inden-8-one, a derivative of a new ring system","Acta Crystallographica Section E","2006","62","8","o3170","o3171","10.1107/S1600536806024238","","","0.71073","MoKα","","0.062","0.039","","","0.084","0.091","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210008","7.74","0.001","8.232","0.001","28.499","0.002","90","","90","","90","","1815.8","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cavidine","8,9-Dimethoxy-6-methyl-6,11,12,14-tetrahydro-6aH-1,3- dioxolo[4,5-h]isoquino[2,1-b]isoquinoline","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","TK2055","Li, Wu; Yang, Lu; Zheng, Qi-Tai","8,9-Dimethoxy-6-methyl-6,11,12,14-tetrahydro-6a<i>H</i>-1,3-dioxolo[4,5-<i>h</i>]isoquino[2,1-<i>b</i>]isoquinoline","Acta Crystallographica Section E","2006","62","8","o3137","o3138","10.1107/S1600536806024287","","","0.71073","MoKα","","0.09","0.07","","","0.163","0.177","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210009","9.877","0.004","11.393","0.004","21.763","0.01","90","","93.25","0.02","90","","2445","1.7","105","","105","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[diaquabis(μ~2~-4,4'-bipyridine)bis(μ~3~-5,5'-dicarboxybiphenyl- 2,2'-dicarboxylato)dicobalt(II) tetrahydrate]","","- C52 H44 Co2 N4 O22 -","- C52 H38 Co2 N4 O22 -","- C104 H76 Co4 N8 O44 -","2","0.5","TK2057","Xu, Ji-Yang; Contreras, Damacio S.; Fronczek, Frank R.; Chen, Banglin","Poly[diaquabis(μ~2~-4,4'-bipyridine)bis(μ~3~-5,5'-dicarboxybiphenyl-2,2'-dicarboxylato)dicobalt(II) tetrahydrate]","Acta Crystallographica Section E","2006","62","8","m1906","m1908","10.1107/S1600536806027681","","","0.71073","MoKα","","0.145","0.065","","","0.114","0.14","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210010","17.4108","0.0013","9.7708","0.0008","24.5142","0.0018","90","","92.589","0.004","90","","4166","0.6","100","1","100","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,6,11,18,24,27,52,55-Octakis(trifluoromethyl)-1,6,11,18,24,27,52,55- octahydro(C~60~-I~h~)[5,6]fullerene","","- C68 F24 -","- C68 F24 -","- C272 F96 -","4","1","TK2058","Kareev, Ivan E.; Shustova, Natalia B.; Newell, Brian S.; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.; Boltalina, Olga V.","1,6,11,18,24,27,52,55-Octakis(trifluoromethyl)-1,6,11,18,24,27,52,55-octahydro(C~60~-I~<i>h~</i>)[5,6]fullerene","Acta Crystallographica Section E","2006","62","8","o3154","o3156","10.1107/S1600536806024561","","","0.71073","MoKα","","0.099","0.052","","","0.103","0.123","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210011","6.622","0.0001","13.649","0.0003","13.735","0.0003","90","","92.079","0.001","90","","1240.6","0.04","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(1RS,2RS,3SR,4SR,9RS)-1,2,3,9-Tetrabromo-1,2,3,4-tetrahydro- 1,4-methanonaphthalene","","- C11 H8 Br4 -","- C11 H8 Br4 -","- C44 H32 Br16 -","4","1","TK2061","Ísmail Çelik; Cem Cüneyt Ersanlı; Mehmet Akkurt; Arif Daştan; Santiago García-Granda","(1<i>RS</i>,2<i>RS</i>,3<i>SR</i>,4<i>SR</i>,9<i>RS</i>)-1,2,3,9-Tetrabromo-1,2,3,4-tetrahydro-1,4-methanonaphthalene","Acta Crystallographica Section E","2006","62","8","o3483","o3485","10.1107/S1600536806027723","","","0.71073","MoKα","","0.036","0.035","","","0.089","0.089","","","","","","1.1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210012","11.113","0.003","9.084","0.003","16.059","0.004","90","","90","","90","","1621.2","0.8","153.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Amino-5-methoxycarbonyltropone","Methyl 4-amino-5-oxocyclohepta-1,3,6-triene-1-carboxylate","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C72 H72 N8 O24 -","8","1","TK2066","Kubo, Kanji; Matsumoto, Taisuke; Hashimoto, Masashi; Mori, Akira","Methyl 4-amino-5-oxocyclohepta-1,3,6-triene-1-carboxylate","Acta Crystallographica Section E","2006","62","8","o3584","o3586","10.1107/S1600536806028807","","","1.54187","CuKα","","","0.041","","","","0.109","","","","","","1.073","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210013","9.568","0.005","11.818","0.007","12.523","0.007","112.956","0.008","109.26","0.008","91.257","0.008","1212.3","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(9-Anthracenylmethyl)-3-butylbenzimidazolium hexafluorophosphate","","- C26 H25 F6 N2 P -","- C26 H25 F6 N2 P -","- C52 H50 F12 N4 P2 -","2","1","WK2016","Qing-Xiang Liu; Li-Na Yin; Feng-Jin Cheng; Jian-Hua Guo; Hai-Bin Song","1-(9-Anthracenylmethyl)-3-butylbenzimidazolium hexafluorophosphate","Acta Crystallographica Section E","2006","62","8","o3604","o3605","10.1107/S160053680602873X","","","0.71073","MoKα","","0.1282","0.073","","","0.1943","0.2356","","","","","","0.975","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210014","7.5232","0.0008","7.5232","0.0008","19.959","0.003","90","","90","","120","","978.3","0.2","294","3","294","3","","","","","","","","3","R -3 c :H","-R 3 2""c","167","magnesium triiridium heptasilicide","magnesium triiridium heptasilicide","","- Ir3 Mg Si7 -","- Ir3 Mg Si7 -","- Ir18 Mg6 Si42 -","6","0.166667","WM2021","Lorenz, Peter; Jung, Walter","MgIr~3~Si~7~, a new magnesium iridium silicide with the ScRh~3~Si~7~ type structure","Acta Crystallographica Section E","2006","62","8","i173","i175","10.1107/S1600536806025323","","","0.71073","MoKα","","0.0218","0.018","","","0.0434","0.0443","","","","","","1.059","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210015","6.636","0.001","18.935","0.001","8.789","0.001","90","","97.06","0.01","90","","1096","0.2","291","0.3","291","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ammonium neodymium(III) bis[sulfate(VI)] tetrahydrate","","- H12 N Nd O12 S2 -","- H12 N Nd O12 S2 -","- H48 N4 Nd4 O48 S8 -","4","1","WM2022","Trzesowska, Agata; Kruszynski, Rafal","Ammonium neodymium(III) bis[sulfate(VI)] tetrahydrate","Acta Crystallographica Section E","2006","62","8","i169","i172","10.1107/S1600536806025207","","","0.71073","MoKα","","0.0281","0.0245","","","0.0569","0.0584","","","","","","1.043","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210016","10.385","0.002","8.976","0.002","11.008","0.002","90","","106.2","0.1","90","","985.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Rubidium gadolinium polyphosphate","","- Gd O12 P4 Rb -","- Gd O12 P4 Rb -","- Gd4 O48 P16 Rb4 -","4","1","WM2023","Ettis, Hasna; Naïli, Houcine; Mhiri, Tahar","RbGd(PO~3~)~4~","Acta Crystallographica Section E","2006","62","8","i166","i168","10.1107/S1600536806025487","","","0.71073","MoKα","","0.0308","0.0232","","","0.0532","0.0559","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210017","33.253","0.006","4.8362","0.0008","14.227","0.003","90","","93.074","0.016","90","","2284.7","0.7","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","trimethoxyhydrazide","3,4,5-trimethoxybenzohydrazide hemihydrate","","- C10 H15 N2 O4.5 -","- C10 H15 N2 O4.5 -","- C80 H120 N16 O36 -","8","1","WN2046","Muhammad Zareef; Rashid Iqbal; Ghulam Qadeer; Muhammad Arfan; Lu Xiaoming","3,4,5-Trimethoxybenzohydrazide hemihydrate","Acta Crystallographica Section E","2006","62","8","o3259","o3261","10.1107/S1600536806025633","","","0.71073","MoKα","","0.1431","0.0477","","","0.1048","0.1342","","","","","","0.955","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210018","13.072","0.004","20.035","0.005","21.364","0.006","113.354","0.004","105.597","0.004","98.451","0.004","4740","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Iodotris(triphenylphosphine)nickel(I) diethyl ether hemisolvate","","- C56 H50 I Ni O0.5 P3 -","- C56 H50 I Ni O0.5 P3 -","- C224 H200 I4 Ni4 O2 P12 -","4","2","WW2020","Eckert, Nathan A.; Riordan, Charles G.; Yap, Glenn P. A.","Iodotris(triphenylphosphine)nickel(I) diethyl ether hemisolvate","Acta Crystallographica Section E","2006","62","8","m1766","m1767","10.1107/S160053680602527X","","","0.71073","MoKα","","0.0461","0.0354","","","0.079","0.084","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2210019","7.578","0.002","10.282","0.002","16.832","0.004","90","","90","","90","","1311.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(Z)-3-(4-Nitrophenyl)-2-phenyl-2-propenoic acid monohydrate","(Z)-3-(4-Nitrophenyl)-2-phenyl-2-propenoic acid monohydrate","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","WW2031","Sadiq-ur-Rehman; Ali, Saqib; Shahzadi, Saira; Parvez, Masood","(<i>Z</i>)-3-(4-Nitrophenyl)-2-phenyl-2-propenoic acid monohydrate","Acta Crystallographica Section E","2006","62","8","o3313","o3315","10.1107/S1600536806024329","","","0.71073","MoKα","","0.085","0.042","","","0.089","0.114","","","","","","1.08","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210020","13.2988","0.0008","8.0155","0.0005","16.0928","0.0009","90","","102.465","0.001","90","","1675","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dioxobis(pentane-2,4-dionato)(tetrahydrofuran)uranium(VI)","","- C14 H22 O7 U -","- C14 H22 O7 U -","- C56 H88 O28 U4 -","4","1","WW2033","Tahir, Asif.A.; Hamid, Mazhar; Mazhar, Muhammad; Zeller, Matthias; Hunter, Allen D","Dioxobis(pentane-2,4-dionato)(tetrahydrofuran)uranium(VI)","Acta Crystallographica Section E","2006","62","8","m1780","m1781","10.1107/S1600536806025566","","","0.71073","MoKα","","0.0221","0.0199","","","0.0479","0.0487","","","","","","1.095","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210021","8.007","0.005","28.561","0.016","5.266","0.003","90","","90","","90","","1204.3","1.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3-dihydro-1H-indole-2,3-dione 3-isonicotinoylhydrazone","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C56 H40 N16 O8 -","4","1","XU2048","Rong Li; Bao-Lin Liu; Xiao-Zeng Li; Chang-Qing Li","2,3-Dihydro-1<i>H</i>-indole-2,3-dione 3-isonicotinoylhydrazone","Acta Crystallographica Section E","2006","62","8","o3149","o3150","10.1107/S160053680602441X","","","0.71073","MoKα","","0.029","0.026","","","0.071","0.073","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210022","6.9742","0.0001","13.2883","0.0001","17.0472","0.0002","90","","90","","90","","1579.85","0.03","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Acetatoaqua(di-2-pyridylamine)isothiocyanatocopper(II)","","- C13 H14 Cu N4 O3 S -","- C13 H14 Cu N4 O3 S -","- C52 H56 Cu4 N16 O12 S4 -","4","1","XU2057","Youngme, Sujittra; Chotkhun, Thidarat; Chaichit, Narongsak","Acetatoaqua(di-2-pyridylamine)isothiocyanatocopper(II)","Acta Crystallographica Section E","2006","62","8","m1793","m1795","10.1107/S1600536806025803","","","0.71073","MoKα","","0.022","0.02","","","0.05","0.051","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210023","7.828","0.002","8.688","0.002","10.892","0.003","111.785","0.003","92.152","0.004","111.499","0.004","627","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Benzoyl-N'-(3-pyridyl)thiourea","","- C13 H11 N3 O S -","- C13 H11 N3 O S -","- C26 H22 N6 O2 S2 -","2","1","XU2058","Wen-Kui Dong; Xiao-Qing Yang; Jian-Hua Feng","<i>N</i>-Benzoyl-<i>N</i>'-(3-pyridyl)thiourea","Acta Crystallographica Section E","2006","62","8","o3459","o3460","10.1107/S1600536806027516","","","0.71073","MoKα","","0.053","0.043","","","0.101","0.106","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210024","17.355","0.004","18.225","0.004","7.4532","0.0018","90","","90","","90","","2357.4","0.9","296","2","296","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","2',7'-Di-1-naphthylspiro[cyclopropane-1,9'-fluorene]","","- C35 H24 -","- C35 H24 -","- C140 H96 -","4","1","XU2065","Tang, Lei; Ye, Jian-Chuan; Wang, Zi-Xing; Lu, Ping","2',7'-Di-1-naphthylspiro[cyclopropane-1,9'-fluorene]","Acta Crystallographica Section E","2006","62","8","o3187","o3188","10.1107/S1600536806024652","","","0.71073","MoKα","","0.047","0.036","","","0.088","0.094","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210025","8.615","0.002","16.576","0.003","24.68","0.004","90","","90","","90","","3524.4","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(5,5-diphenylhydantoinato-κN^3^)bis(1H-imidazole-κN^3^)copper(II) monohydrate","","- C36 H32 Cu N8 O5 -","- C36 H32 Cu N8 O5 -","- C144 H128 Cu4 N32 O20 -","4","1","XU2067","Xing-You Xu; Tong-Tao Xu; He-Ping Ma; Xi-Lan Hu; Da-Qi Wang","Bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) monohydrate","Acta Crystallographica Section E","2006","62","8","m1956","m1957","10.1107/S1600536806028509","","","0.71073","MoKα","","0.101","0.0486","","","0.1038","0.1339","","","","","","0.971","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210026","15.128","0.0008","59.932","0.003","10.9468","0.0005","90","","90","","90","","9924.9","0.9","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","Cilnidipine","3-Cinnamyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4- dihydropyridine-3,5-dicarboxylate","","- C27 H28 N2 O7 -","- C27 H28 N2 O7 -","- C432 H448 N32 O112 -","16","1","XU2068","Ai-Xi Hu; Xiao-Yun Wu; Gao Cao","3-Cinnamyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","8","o3161","o3162","10.1107/S1600536806024883","","","0.71073","MoKα","","0.078","0.051","","","0.128","0.152","","","","","","1.085","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210027","7.734","0.001","10.198","0.002","12.314","0.002","103.94","0.01","103.09","0.01","112.03","0.01","817.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Ethoxybenzoyl)-3-o-tolylthiourea","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","XU2072","Hu, Jing-Han; Li, De-Sheng; Cao, Cheng; Wei, Tai-Bao","1-(4-Ethoxybenzoyl)-3-<i>o</i>-tolylthiourea","Acta Crystallographica Section E","2006","62","8","o3418","o3419","10.1107/S1600536806027176","","","0.71073","MoKα","","0.052","0.039","","","0.111","0.115","","","","","","1.084","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210028","8.8914","0.0005","9.7191","0.0007","13.8189","0.0008","90","","90","","90","","1194.18","0.13","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dibromobis(pyridazine-κN)zinc(II)","","- C8 H8 Br2 N4 Zn -","- C8 H8 Br2 N4 Zn -","- C32 H32 Br8 N16 Zn4 -","4","1","XU2073","Bhosekar, Gaurav; Jeß, Inke; Näther, Christian","Dibromobis(pyridazine-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2006","62","8","m1859","m1860","10.1107/S1600536806026997","","","0.71073","MoKα","","0.055","0.038","","","0.081","0.09","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210029","17.876","0.003","8.99","0.002","12.6963","0.0012","90","","98.161","0.008","90","","2019.7","0.6","173","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-Di-tert-butyl-N-[2-(methylsulfanyl)phenyl]salicylaldimine","","- C22 H29 N O S -","- C22 H29 N O S -","- C88 H116 N4 O4 S4 -","4","1","XU2074","Hamaker, Christopher G.; Corgliano, Danielle M.","3,5-Di-<i>tert</i>-butyl-<i>N</i>-[2-(methylsulfanyl)phenyl]salicylaldimine","Acta Crystallographica Section E","2006","62","8","o3354","o3355","10.1107/S1600536806026869","","","0.71073","MoKα","","","0.047","","","","0.147","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210030","9.6038","0.0015","10.4719","0.0017","12.79","0.002","90","","108.154","0.002","90","","1222.3","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[bis(imidazole-κN)copper(II)]-μ-succinato-κ^2^O:O']","","- C10 H12 Cu N4 O4 -","- C10 H12 Cu N4 O4 -","- C40 H48 Cu4 N16 O16 -","4","1","XU2076","Wang, Zhen; Wang, Hua; Wang, Xiao-Lei; Liang, Shuang; Han, Jin-Yu","<i>catena</i>-Poly[[bis(imidazole-κ<i>N</i>)copper(II)]-μ-succinato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","8","m1972","m1973","10.1107/S1600536806028571","","","0.71073","MoKα","","0.033","0.026","","","0.073","0.078","","","","","","1.096","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210031","9.8621","0.0005","11.0998","0.0006","11.6013","0.0006","90","","103.002","0.001","90","","1237.4","0.11","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Butylquinolinium bromide","","- C13 H16 Br N -","- C13 H16 Br N -","- C52 H64 Br4 N4 -","4","1","XU2079","Ya-Jie Zuo; Chong-Min Zhong; Hua-Shu Jin; Zhan-Hua Su; Tian-Chi Wang","1-Butylquinolinium bromide","Acta Crystallographica Section E","2006","62","8","o3561","o3562","10.1107/S1600536806028662","","","0.71073","MoKα","","0.038","0.028","","","0.071","0.076","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210032","8.6675","0.0008","7.205","0.0006","13.198","0.001","90","","96.859","0.001","90","","818.31","0.12","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-Dihydroxy-3,3'-(piperazinediium-1,4-diyl)bis(propanesulfonate) dihydrate","","- C10 H26 N2 O10 S2 -","- C10 H26 N2 O10 S2 -","- C20 H52 N4 O20 S4 -","2","0.5","XU2080","Zhao, Ji-Nan; Zhang, Hui-Qin; Ng, Seik Weng","2,2'-Dihydroxy-3,3'-(piperazinediium-1,4-diyl)bis(propanesulfonate) dihydrate","Acta Crystallographica Section E","2006","62","8","o3424","o3425","10.1107/S1600536806027449","","","0.71073","MoKα","","0.047","0.037","","","0.093","0.099","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210033","20.847","0.002","12.18","0.001","7.1222","0.0007","90","","101.738","0.002","90","","1770.6","0.3","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","Methyl 12-bromo-13,14-(2,1,3)-thiadiazolyl-deisopropyldehydroabietate","Methyl 12-bromo-13,14-(thiodiimino)deisopropyldehydroabietate","","- C18 H21 Br N2 O2 S -","- C18 H21 Br N2 O2 S -","- C72 H84 Br4 N8 O8 S4 -","4","1","XU2081","Lin, Ning; Wang, Heng-Shan; Ng, Seik Weng","Methyl 12-bromo-13,14-(thiodinitrilo)deisopropyldehydroabietate","Acta Crystallographica Section E","2006","62","8","o3426","o3427","10.1107/S1600536806027450","","","0.71073","MoKα","","0.056","0.04","","","0.096","0.101","","","","","","0.91","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210034","11.662","0.005","16.242","0.008","11.398","0.005","90","","115.078","0.019","90","","1955.4","1.6","298","1","","","","","","","","","","5","C 1 c 1","C -2yc","9","","2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanyl 2,3-dimethylpiperidin-1-yl ketone","","- C19 H25 Cl2 N O2 -","- C19 H25 Cl2 N O2 -","- C76 H100 Cl8 N4 O8 -","4","1","XU2084","Na-Bo Sun; Cheng-Xia Tan; Jian-Quan Weng; De-Long Shen","2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanyl 2,3-dimethylpiperidin-1-yl ketone","Acta Crystallographica Section E","2006","62","8","o3486","o3487","10.1107/S160053680602811X","","","0.71075","MoKα","","","0.034","","","","0.085","","","","","","1.022","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210035","15.6667","0.0012","6.185","0.0005","29.427","0.002","90","","101.308","0.001","90","","2796.1","0.4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(3-Chlorophenyl)-4-(2-hydroxyethyl)-3-methylmorpholin-2-ol monohydrate","","- C13 H20 Cl N O4 -","- C13 H20 Cl N O4 -","- C104 H160 Cl8 N8 O32 -","8","1","XU2086","Ai-Xi Hu; Yan-Li Xie; Gao Cao","2-(3-Chlorophenyl)-4-(2-hydroxyethyl)-3-methylmorpholin-2-ol monohydrate","Acta Crystallographica Section E","2006","62","8","o3579","o3580","10.1107/S1600536806028844","","","0.71073","MoKα","","0.117","0.1","","","0.22","0.228","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210036","10.565","0.007","8.274","0.006","41.17","0.03","90","","90","","90","","3599","4","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-(4-Fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydroisoxazole","","- C22 H18 F N O2 -","- C22 H18 F N O2 -","- C176 H144 F8 N8 O16 -","8","1","XU2092","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.","5-(4-Fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydroisoxazole","Acta Crystallographica Section E","2006","62","8","o3547","o3548","10.1107/S1600536806028406","","","0.71073","MoKα","","0.152","0.1","","","0.192","0.219","","","","","","1.322","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210037","8.871","0.0009","25.256","0.003","10.9402","0.001","90","","109.195","0.004","90","","2314.8","0.4","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetra-μ~2~-acetato-bis{1-[5-(dimethylamino)naphthylsulfonyl]imidazole- κN^3^]rhodium} (Rh—Rh) acetonitrile disolvate","","- C42 H48 N8 O12 Rh2 S2 -","- C42 H48 N8 O12 Rh2 S2 -","- C84 H96 N16 O24 Rh4 S4 -","2","0.5","YA2019","Löffler, Philipp M. G.; Petersen, Henrik H.; Skovsgaard, Signe; McKenzie, Christine J.; Bond, Andrew D.","Tetra-μ~2~-acetato-bis({1-[5-(dimethylamino)naphthylsulfonyl]imidazole-κ<i>N</i>^3^}rhodium)(<i>Rh</i>—<i>Rh</i>) acetonitrile disolvate","Acta Crystallographica Section E","2006","62","8","m1808","m1809","10.1107/S1600536806025311","","","0.71073","MoKα","","0.039","0.028","","","0.059","0.061","","","","","","1.07","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210038","8.459","0.002","7.4681","0.0019","11.701","0.003","90","","95.173","0.005","90","","736.2","0.3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl cis-deisopropyldehydroabietate","","- C18 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","YM2011","Heng-Shan Wang; Xiu-Rong Wu; Ying-Ming Pan; Ye Zhang; Yong Zhang","Methyl <i>cis</i>-deisopropyldehydroabietate","Acta Crystallographica Section E","2006","62","8","o3166","o3167","10.1107/S1600536806024640","","","0.7107","MoKα","","0.028","0.027","","","0.072","0.072","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210039","7.964","0.003","22.94","0.007","11.844","0.004","90","","96.484","0.005","90","","2150","1.3","130","2","133","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Trichloro[tris(3-mesitylpyrazol-1-yl)borohydrido]titanium dichloromethane disolvate","","- C38 H44 B Cl7 N6 Ti -","- C38 H44 B Cl7 N6 Ti -","- C76 H88 B2 Cl14 N12 Ti2 -","2","0.5","AC2031","Michiue, Kenji; Steele, Ian; Casagrande, Osvaldo L.; Jordan, Richard F.","Trichloro[tris(3-mesitylpyrazol-1-yl)borohydrido]titanium dichloromethane disolvate","Acta Crystallographica Section E","2006","62","9","m2297","m2298","10.1107/S1600536806032788","","","0.71073","MoKα","","0.0611","0.0454","","","0.115","0.1199","","","","","","1.051","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210040","15.249","0.004","6.5459","0.0016","14.643","0.004","90","","94.066","0.005","90","","1458","0.7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1-(3-Chlorobenzoyl)-3-[3-(trifluoromethyl)phenyl]thiourea","1-(3-Chlorobenzoyl)-3-[3-(trifluoromethyl)phenyl]thiourea","","- C15 H10 Cl F3 N2 O S -","- C15 H10 Cl F3 N2 O S -","- C60 H40 Cl4 F12 N8 O4 S4 -","4","1","AC2032","Khawar Rauf, M.; Badshah, Amin; Flörke, Ulrich","1-(3-Chlorobenzoyl)-3-[3-(trifluoromethyl)phenyl]thiourea","Acta Crystallographica Section E","2006","62","9","o3823","o3825","10.1107/S1600536806031023","","","0.71073","MoKα","","0.1096","0.0568","","","0.1083","0.1205","","","","","","0.89","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210041","14.6082","0.0005","13.5438","0.0006","7.6388","0.0003","90","","99.838","0.002","90","","1489.12","0.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,8-dihydroxy-3-methyl-6-(oxiran-2-ylmethoxy)anthracene-9,10-dione","","- C18 H14 O6 -","- C18 H14 O6 -","- C72 H56 O24 -","4","1","AC2033","Wang, Xing-Po; Li, Xun; Wu, Ji-Feng; Xu, Wen-Fang; Li, Wei-Lu","1,8-Dihydroxy-3-methyl-6-(oxiran-2-ylmethoxy)-9,10-dihydroanthracene-9,10-dione","Acta Crystallographica Section E","2006","62","9","o4156","o4158","10.1107/S1600536806033344","","","0.71069","MoKα","","0.1258","0.0525","","","","0.1685","","","","","","1.008","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210042","13.185","0.007","11.407","0.005","16.055","0.009","90","","122.906","0.005","90","","2027.3","1.8","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium 4-nitrophenylsulfinate","","- C18 H28 N2 O4 S -","- C18 H28 N2 O4 S -","- C72 H112 N8 O16 S4 -","4","1","AC2034","Brito, Iván; López-Rodríguez, Matías; Cárdenas, Alejandro; Reyes, Andrea","Dicyclohexylammonium 4-nitrophenylsulfinate","Acta Crystallographica Section E","2006","62","9","o4017","o4019","10.1107/S1600536806032879","","","0.71069","MoKα","","","0.0822","","","","0.2429","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210043","3.964","0.0003","20.3808","0.0009","9.4566","0.0006","90","","101.453","0.006","90","","748.78","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Methylaminomethylene)pentane-2,4-dione","","- C7 H11 N O2 -","- C7 H11 N O2 -","- C28 H44 N4 O8 -","4","1","AC2035","Gróf, Martin,; Milata, Viktor; Kožíšek, Jozef; Tokarčík, Miroslav","3-(Methylaminomethylene)pentane-2,4-dione","Acta Crystallographica Section E","2006","62","9","o4060","o4061","10.1107/S1600536806032995","","","0.71073","MoKα","","0.0649","0.061","","","0.1588","0.1647","","","","","","1.162","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210044","9.4758","0.0003","14.2682","0.0005","9.5562","0.0003","90","","116.871","0.0015","90","","1152.52","0.07","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2, 5- Dichloro-4'-methoxybiphenyl","","- C13 H10 Cl2 O -","- C13 H10 Cl2 O -","- C52 H40 Cl8 O4 -","4","1","AC2036","Vyas, Sandhya M.; Parkin, Sean; Robertson, Larry W.; Lehmler, Hans-Joachim","2,5-Dichloro-4'-methoxybiphenyl","Acta Crystallographica Section E","2006","62","9","o4162","o4163","10.1107/S1600536806033319","","","0.71073","MoKα","","0.0988","0.0486","","","0.1112","0.131","","","","","","1.024","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210045","10.7919","0.001","9.9331","0.0006","13.7534","0.0012","90","","101.002","0.007","90","","1447.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-(2-Chlorobenzoyl)-3-(3-chlorophenyl)thiourea","1-(2-Chlorobenzoyl)-3-(3-chlorophenyl)thiourea","","- C14 H10 Cl2 N2 O S -","- C14 H10 Cl2 N2 O S -","- C56 H40 Cl8 N8 O4 S4 -","4","1","AC2037","Khawar Rauf, M.; Badshah, Amin; Bolte, Michael","1-(2-Chlorobenzoyl)-3-(3-chlorophenyl)thiourea","Acta Crystallographica Section E","2006","62","9","o4084","o4086","10.1107/S1600536806033320","","","0.71073","MoKα","","0.0396","0.0315","","","0.0817","0.0846","","","","","","1.051","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210046","10.1004","0.0002","14.8636","0.0003","15.5876","0.0003","90","","90","","90","","2340.14","0.08","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3'R, 4S)-3-(3'-Cyclohexyl-3'-phenylpropionyl)-5,5-dimethyl-4- phenyloxazolidin-2-one","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C104 H124 N4 O12 -","4","1","AT2035","Yang, Rui; Nie, Lei; Zhang, Mei-Su; Wang, Juan; Lin, Jun","(3'<i>R</i>,4<i>S</i>)-3-(3'-Cyclohexyl-3'-phenylpropionyl)-5,5-dimethyl-4-phenyloxazolidin-2-one","Acta Crystallographica Section E","2006","62","9","o3618","o3619","10.1107/S1600536806016035","","","0.71073","MoKα","","0.0504","0.0364","","","0.0911","0.1006","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210047","9.1302","0.0018","9.6848","0.0019","10.862","0.002","90.29","0.03","98.89","0.03","115.61","0.03","852.9","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Chlorobenzyl)-2-(2-chlorophenyl)-1<i>H</i>-benzimidazole","","- C20 H14 Cl2 N2 -","- C20 H14 Cl2 N2 -","- C40 H28 Cl4 N4 -","2","1","AT2062","Fang-Fang Jian; Huan-Qing Yu; Yuan-Biao Qiao; Pu-Su Zhao; Hai-Lian Xiao","1-(2-Chlorobenzyl)-2-(2-chlorophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2006","62","9","o3608","o3609","10.1107/S1600536806028716","","","0.71073","MoKα","","0.0761","0.0704","","","0.1421","0.1455","","","","","","1.244","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210048","8.6605","0.0009","17.162","0.0018","12.1745","0.0013","90","","92.034","0.009","90","","1808.4","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Poly[[μ-aqua-tetra-μ-thiocyanato-manganese(II)mercury(II)] sulfolane solvate]","","- C8 H10 Hg Mn N4 O3 S5 -","- C8 H10 Hg Mn N4 O3 S5 -","- C32 H40 Hg4 Mn4 N16 O12 S20 -","4","1","AT2066","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Geng, Yan-Ling","Poly[[μ-aqua-tetra-μ-thiocyanato-manganese(II)mercury(II)] sulfolane solvate]","Acta Crystallographica Section E","2006","62","9","m2249","m2251","10.1107/S160053680603176X","","","0.71073","MoKα","","0.0714","0.0361","","","0.0625","0.0716","","","","","","0.982","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210049","8.0696","0.0009","11.0945","0.0012","13.1253","0.0014","106.698","0.004","99.688","0.005","108.459","0.009","1023.2","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","(4Z)-3-Methyl-1-phenyl-4-{(phenyl)[4-(trifluoromethoxy)anilino]methylene}- 1H-pyrazol-5(4H)-one","","- C24 H18 F3 N3 O2 -","- C24 H18 F3 N3 O2 -","- C48 H36 F6 N6 O4 -","2","1","AT2067","Hai-Zhen Xu; You-Quan Zhu; Hai-Bin Song","(4<i>Z</i>)-3-Methyl-1-phenyl-4-{(phenyl)[4-(trifluoromethoxy)anilino]methylene}-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","9","o3678","o3680","10.1107/S1600536806029655","","","0.7107","MoKα","","0.0802","0.0491","","","0.1078","0.1246","","","","","","0.938","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210050","8.1824","0.0002","11.1341","0.0002","12.6788","0.0002","83.344","0.001","81.844","0.001","73.451","0.001","1092.56","0.04","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","Diazidobis(1,10-phenanthroline)iron(II)","","- C24 H16 Fe N10 -","- C24 H16 Fe N10 -","- C48 H32 Fe2 N20 -","2","1","AT2068","Zhi-Xin Miao; Min Shao; Hong-Jiang Liu; Ming-Xing Li","Diazidobis(1,10-phenanthroline)iron(II)","Acta Crystallographica Section E","2006","62","9","m2170","m2172","10.1107/S1600536806029679","","","0.71073","MoKα","","0.0493","0.0421","","","0.1229","0.1275","","","","","","1.089","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210051","14.879","0.002","6.9505","0.0014","22.567","0.003","90","","90.474","0.009","90","","2333.7","0.6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","triaqua(4-hydroxypyridine-2,6-dicarboxylato)nickel(II) sesquihydrate,","","- C7 H12 N Ni O9.5 -","- C7 H12 N Ni O9.5 -","- C56 H96 N8 Ni8 O76 -","8","1","AT2069","Jian-Zhong Cui; Hong Zhang; Yu-Quan Shi; Bin Chen; Hong-Ling Gao","Triaqua(4-hydroxypyridine-2,6-dicarboxylato)nickel(II) sesquihydrate","Acta Crystallographica Section E","2006","62","9","m2057","m2058","10.1107/S1600536806029758","","","0.71073","MoKα","","0.0834","0.068","","","0.1518","0.1574","","","","","","1.228","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210052","14.2026","0.0008","10.5032","0.0006","26.3135","0.0014","90","","100.869","0.001","90","","3854.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,5-Bis(2-hydroxybenzylidene)thiocarbonohydrazide(2-)- κ^3^S,O,N]dimethyltin(IV)","","- C17 H18 N4 O2 S Sn -","- C17 H18 N4 O2 S Sn -","- C136 H144 N32 O16 S8 Sn8 -","8","2","AT2070","Fang, Xiao-Niu; Sui, Yan; Ying, Shao-Ming; Xu, Ya-Ping; Guo, Xue-Feng","[1,5-Bis(2-hydroxybenzylidene)thiocarbonohydrazide(2‒)-κ^3^<i>S</i>,<i>O</i>,<i>N</i>]dimethyltin(IV)","Acta Crystallographica Section E","2006","62","9","m2008","m2010","10.1107/S1600536806029138","","","0.71073","MoKα","","0.045","0.0321","","","0.0862","0.0925","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210053","22.812","0.003","15.958","0.002","8.7549","0.0012","90","","90","","90","","3187.1","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C35 H32 Cu N6 O4 -","- C35 H32 Cu N6 O4 -","- C140 H128 Cu4 N24 O16 -","4","1","AT2071","Xilan Hu; Xingyou Xu; Tongtao Xu; Daqi Wang","Bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)copper(II) 2-methyl-3,4,5,6-tetrahydropyrimidine solvate","Acta Crystallographica Section E","2006","62","9","m2221","m2223","10.1107/S160053680602976X","","","0.71073","MoKα","","0.0813","0.0429","","","0.087","0.1041","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210054","9.281","0.016","9.06","0.015","12.62","0.02","90","","104.495","0.019","90","","1027","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ~2~-N-5-formysalicylideneglycinato-κ^4^O,N,O':O')bis[aquacopper(II)]","","- C20 H18 Cu2 N2 O10 -","- C20 H18 Cu2 N2 O10 -","- C40 H36 Cu4 N4 O20 -","2","0.5","AT2072","Jin-Hua Cai; Ying-Heng Huang; Yi-Min Jiang","Bis(μ~2~-<i>N</i>-5-formysalicylideneglycinato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>')bis[aquacopper(II)]","Acta Crystallographica Section E","2006","62","9","m2064","m2066","10.1107/S1600536806029783","","","0.71073","MoKα","","0.0529","0.0458","","","0.1192","0.1247","","","","","","1.032","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210055","8.0267","0.0007","12.6709","0.0011","14.6529","0.0013","98.911","0.007","100.893","0.007","104.746","0.006","1382.5","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","3-{4-[4-(3-Oxo-1,3-dihydroisobenzofuran-1- ylamino)benzyl]phenylamino}isobenzofuran-1(3H)-one dimethylformamide solvate","","- C32 H29 N3 O5 -","- C32 H29 N3 O5 -","- C64 H58 N6 O10 -","2","1","AT2073","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-{4-[4-(3-Oxo-1,3-dihydroisobenzofuran-1-ylamino)benzyl]phenylamino}isobenzofuran-1(3<i>H</i>)-one dimethylformamide solvate","Acta Crystallographica Section E","2006","62","9","o4142","o4144","10.1107/S1600536806029813","","","0.71073","MoKα","","0.1302","0.0721","","","0.1736","0.2031","","","","","","0.958","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210056","20.883","0.003","12.3458","0.0013","5.0566","0.0005","90","","90","","90","","1303.7","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","4,4'bipyridinium di(fluorotrioxochromate)","","- C10 H10 Cr2 F2 N2 O5 -","- C10 H10 Cr2 F2 N2 O5 -","- C40 H40 Cr8 F8 N8 O20 -","4","0.5","AT2075","Özyürek, Cengiz; Şendil, Kıvılcım; Güneş, Tohit; Dilek, Nefise; Arslan, N. Burcu","4,4'-Bipyridinium μ-oxo-bis(fluorodioxochromate)","Acta Crystallographica Section E","2006","62","9","m2191","m2193","10.1107/S1600536806031692","","","0.71073","MoKα","","0.0872","0.0361","","","0.0689","0.0788","","","","","","0.85","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210057","15.868","0.005","8.389","0.003","18.548","0.006","90","","100.99","0.004","90","","2423.8","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(N,N-diethylcarbamato-κ^2^S,S')arsenic(III)","","- C15 H30 As N3 S6 -","- C15 H30 As N3 S6 -","- C60 H120 As4 N12 S24 -","4","1","AT2076","Feng Li; Handong Yin; Jun Zhai; Daqi Wang","Tris(<i>N</i>,<i>N</i>-diethylcarbamato-κ^2^<i>S</i>,<i>S</i>')arsenic(III)","Acta Crystallographica Section E","2006","62","9","m2205","m2207","10.1107/S1600536806031540","","","0.71073","MoKα","","0.0569","0.0332","","","0.0757","0.0879","","","","","","1.011","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210058","29.914","0.007","8.1198","0.0018","14.818","0.003","90","","114.462","0.003","90","","3276.1","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(Benzotriazol-1-yl)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one","","- C17 H13 Cl N6 O -","- C17 H13 Cl N6 O -","- C136 H104 Cl8 N48 O8 -","8","1","AT2077","Jun Wan; Yue-Qin Yu; Sai Bi; Zheng-Zhong Peng; Shu-Sheng Zhang","3-(Benzotriazol-1-yl)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one","Acta Crystallographica Section E","2006","62","9","o3854","o3856","10.1107/S1600536806031564","","","0.71073","MoKα","","0.054","0.0408","","","0.0964","0.1041","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210059","21.288","0.004","12.132","0.002","13.767","0.003","90","","121.79","0.003","90","","3022.2","1","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Z)-3-[Hydroxy(2,4-dimethoxyphenyl)methylene]-1-isopropylpyrrolidine- 2,4-dione","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C128 H152 N8 O40 -","8","1","AT2078","Hai-Zhen Xu; You-Quan Zhu","(Z)-3-[Hydroxy(2,4-dimethoxyphenyl)methylene]-1-isopropylpyrrolidine-2,4-dione","Acta Crystallographica Section E","2006","62","9","o3926","o3927","10.1107/S1600536806031953","","","0.71073","MoKα","","0.0832","0.0409","","","0.0909","0.1122","","","","","","0.998","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210060","7.754","0.003","21.436","0.006","6.603","0.002","90","","90","","90","","1097.5","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Phenylquinoline 1-oxide","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","AT2079","Henrik Fahlquist; Peter C. Healy; David J. Young; Edward R. T. Tiekink","2-Phenylquinoline 1-oxide","Acta Crystallographica Section E","2006","62","9","o3805","o3807","10.1107/S1600536806030935","","","0.71069","MoKα","","0.084","0.041","","","0.098","0.115","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210061","11.178","0.013","7.718","0.005","13.217","0.016","90","","94.064","0.003","90","","1137","2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-Nitrobenzylidene)aniline","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","AT2080","Naveen, S.; Anil Kumar, K.; Channe Gowda, D.; Sridhar, M. A.; Shashidhara Prasad, J.","<i>N</i>-(2-Nitrobenzylidene)aniline","Acta Crystallographica Section E","2006","62","9","o3790","o3791","10.1107/S1600536806031102","","","0.71073","MoKα","","0.0611","0.0509","","","0.1516","0.172","","","","","","1.005","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210062","3.7834","0.0003","13.3967","0.0013","10.0703","0.0008","90","","97.635","0.006","90","","505.89","0.08","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","2,6-diaminopyridinium hydrogen fumarate","","- C9 H11 N3 O4 -","- C9 H11 N3 O4 -","- C18 H22 N6 O8 -","2","1","AT2081","Büyükgüngör, Orhan; Odabas̨oǧlu, Mustafa","2,6-Diaminopyridinium hydrogen fumarate","Acta Crystallographica Section E","2006","62","9","o3816","o3818","10.1107/S1600536806031096","","","0.71073","MoKα","","0.0332","0.0281","","","0.0674","0.0696","","","","","","1.104","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210063","10.04","0.005","10.092","0.005","13.165","0.005","75.719","0.005","68.643","0.005","65.409","0.005","1122.5","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[di-μ~2~-aqua-hexaquabis(μ~4~-benzene-1,3,5-tricarboxylato)trinickel(II)]","","- C18 H22 Ni3 O20 -","- C18 H22 Ni3 O20 -","- C36 H44 Ni6 O40 -","2","1","AT2082","Ying-Ying Liu; Jian-Fang Ma; Ji-Cheng Ma","Poly[di-μ~2~-aqua-hexaquabis(μ~4~-benzene-1,3,5-tricarboxylato)trinickel(II)]","Acta Crystallographica Section E","2006","62","9","m2233","m2235","10.1107/S1600536806032053","","","0.71069","MoKα","","0.0327","0.0267","","","0.0773","0.0854","","","","","","1.093","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210064","13.2127","0.0012","7.9412","0.0007","14.4446","0.0013","90","","115.815","0.001","90","","1364.3","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","AT2083","Bai, Zheng-Chen; Zhang, Chen-Xi; Liu, Yu; Jing, Zuo-Liang","<i>N</i>'-(3-Hydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2006","62","9","o3940","o3941","10.1107/S1600536806031667","","","0.71073","MoKα","","0.0496","0.0348","","","0.0911","0.0983","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210065","13.4659","0.0009","8.1794","0.0007","12.2649","0.0008","90","","97.4","0.005","90","","1339.64","0.17","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-[3-(trifluoromethyl)anilino]phthalide","3-[3-(trifluoromethyl)anilino]isobenzofuran-1(3H)-one","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C60 H40 F12 N4 O8 -","4","1","AT2084","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-[3-(Trifluoromethyl)anilino]isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","9","o4151","o4153","10.1107/S1600536806032089","","","0.71073","MoKα","","0.0911","0.0713","","","0.1862","0.1983","","","","","","1.065","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210066","9.1526","0.0003","21.6121","0.0007","13.4409","0.0004","90","","108.196","0.001","90","","2525.75","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaqua{6,6'-dimethoxy-2,2'-[1,2- ethanediylbis(nitrilomethylidyne)]diphenolato}dinitratosamarium(III)copper(II) nitrate","","- C18 H22 Cu N5 O15 Sm -","- C18 H22 Cu N5 O15 Sm -","- C72 H88 Cu4 N20 O60 Sm4 -","4","1","AT2085","Sui, Yan; Fang, Xiao-Niu; Xiao, Yi-An; Luo, Qiu-Yan; Li, Meng-Hua","A new dinuclear Cu^II^‒Sm^III^ complex with a salen-type Schiff base ligand","Acta Crystallographica Section E","2006","62","9","m2230","m2232","10.1107/S1600536806032120","","","0.71073","MoKα","","0.0317","0.0277","","","0.1021","0.1043","","","","","","1.003","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210067","23.88","0.02","6.406","0.006","21.41","0.02","90","","106.092","0.014","90","","3147","5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E,E)-4-Dimethylaminobenzaldehyde O-(3-phenylpropenoyl)oxime","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","1","AT2086","Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Xia, Hai-Tao","(<i>E</i>,<i>E</i>)-4-(Dimethylamino)benzaldehyde <i>O</i>-(3-phenylpropenoyl)oxime","Acta Crystallographica Section E","2006","62","9","o3923","o3925","10.1107/S1600536806032132","","","0.71073","MoKα","","0.1502","0.0552","","","0.109","0.143","","","","","","1.003","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210068","11.211","0.003","13.035","0.003","14.231","0.003","90","","92.91","0.003","90","","2077","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1-(2,4-dichlorobenzoyl)ethyl nicotinate monohydrate","","- C21 H16 Cl2 N4 O4 -","- C21 H16 Cl2 N4 O4 -","- C84 H64 Cl8 N16 O16 -","4","1","AT2088","Jun Wan; Zheng-Zhong Peng; Sai Bi; Yue-Qin Yu; Shu-Sheng Zhang","2-(1<i>H</i>-1,2,3-Benzotriazol-1-ylmethyl)-1-(2,4-dichlorobenzoyl)ethyl nicotinate monohydrate","Acta Crystallographica Section E","2006","62","9","o4067","o4069","10.1107/S1600536806033162","","","0.71073","MoKα","","0.0547","0.0391","","","0.0982","0.1076","","","","","","0.947","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210069","7.718","0.008","9.451","0.011","13.058","0.013","109.4","0.01","91.5","0.01","93.71","0.01","895.4","1.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N O6 S -","- C21 H15 N O6 S -","- C42 H30 N2 O12 S2 -","2","1","AT2089","Döpp, Dietrich; Sopbue Fondjo, Emmanuel; Flörke, Ulrich; Henkel, Gerald","Dimethyl 2-(3-amino-4-oxo-4<i>H</i>-benzo[<i>f</i>]thieno[3,4-<i>c</i>]chromen-1-yl)fumarate","Acta Crystallographica Section E","2006","62","9","o4095","o4097","10.1107/S1600536806033460","","","0.71073","MoKα","","0.0511","0.039","","","0.0929","0.0996","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210070","8.6895","0.001","9.0539","0.0011","15.9006","0.0018","90","","90.888","0.002","90","","1250.8","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4,6-Dimethyl-2,3-dihydropyrimidin-2-ylidene)benzenesulfonamide","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","AT2090","Gong-Chun Li; Feng-Ling Yang","<i>N</i>-(4,6-Dimethyl-2,3-dihydropyrimidin-2-ylidene)benzenesulfonamide","Acta Crystallographica Section E","2006","62","9","o4205","o4206","10.1107/S1600536806033174","","","0.71073","MoKα","","0.041","0.0349","","","0.094","0.0999","","","","","","1.074","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210071","14.3617","0.0003","3.8358","0.0001","19.4547","0.0003","90","","103.355","0.001","90","","1042.75","0.04","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl indolizine-1,6-dicarboxylate","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","AT2092","Yong-Miao Shen; Hoong-Kun Fun; Jian-Hua Xu","Dimethyl indolizine-1,6-dicarboxylate","Acta Crystallographica Section E","2006","62","9","o4080","o4081","10.1107/S1600536806033411","","","0.71073","MoKα","","0.0521","0.0425","","","0.1093","0.1153","","","","","","1.074","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210072","12.398","0.003","10.045","0.003","10.079","0.003","90","","98.804","0.004","90","","1240.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N^6^-(4-Methoxybenzoyl)adenine","","- C13 H11 N5 O2 -","- C13 H11 N5 O2 -","- C52 H44 N20 O8 -","4","1","AT2095","Yang Bo; Kun Cheng; Sai Bi; Shu-Sheng Zhang","<i>N</i>^6^-(4-Methoxybenzoyl)adenine","Acta Crystallographica Section E","2006","62","9","o4174","o4175","10.1107/S1600536806034039","","","0.71073","MoKα","","0.0811","0.0489","","","0.1067","0.1205","","","","","","1.017","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210073","22.6214","0.0005","5.2942","0.0012","25.309","0.003","90","","115.768","0.004","90","","2729.7","0.7","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(Azepan-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C128 H144 N16 O16 -","8","1","AV3030","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","1-(Azepan-1-yl)-2-(1<i>H</i>-indol-3-yl)ethane-1,2-dione","Acta Crystallographica Section E","2006","62","9","o3744","o3746","10.1107/S1600536806029837","","","0.71073","MoKα","","0.1795","0.0654","","","0.1344","0.1759","","","","","","0.987","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210074","11.7144","0.0009","7.3595","0.0004","20.024","0.0015","90","","96.454","0.006","90","","1715.4","0.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diclorobis(2-aminobenzothiazole-κN)cobalt(II)","","- C14 H12 Cl2 Co N4 S2 -","- C14 H12 Cl2 Co N4 S2 -","- C56 H48 Cl8 Co4 N16 S8 -","4","1","AV3032","Hümeyra Batı; Çiĝdem Yüksektepe; Nezihe Çalıs̨kan; Orhan Büyükgüngör","Bis(2-aminobenzothiazole-κ<i>N</i>)dichlorocobalt(II)","Acta Crystallographica Section E","2006","62","9","m2313","m2315","10.1107/S1600536806033496","","","0.71073","MoKα","","0.039","0.0284","","","0.0698","0.0734","","","","","","1.009","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210075","4.0025","0.0001","10.7048","0.0003","14.6451","0.0005","90","","91.789","0.002","90","","627.18","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2E)-1-(3-Bromo-2-thienyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C14 H11 Br O2 S -","- C14 H11 Br O2 S -","- C28 H22 Br2 O4 S2 -","2","1","BG2004","Harrison, William T. A.; Yathirajan, H. S.; Ashalatha, B. V.; Bindya, S.; Narayana, B.","(2<i>E</i>)-1-(3-Bromo-2-thienyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o4164","o4165","10.1107/S1600536806033824","","","0.71073","MoKα","","0.0255","0.0231","","","0.0549","0.0556","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210076","7.7512","0.0006","9.8886","0.0008","10.6471","0.0009","72.28","0.008","71.435","0.008","74.554","0.007","723.83","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2,4,7-Trimethyl-3,8-bis(methylsulfanyl)benzo[1,2-b:5,6-b']difuran","","- C15 H16 O2 S2 -","- C15 H16 O2 S2 -","- C30 H32 O4 S4 -","2","1","BH2032","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2,4,7-Trimethyl-3,8-bis(methylsulfanyl)benzo[1,2-<i>b</i>:5,6<i>-b</i>']difuran","Acta Crystallographica Section E","2006","62","9","o3936","o3937","10.1107/S1600536806032338","","","0.71069","MoKα","","0.1098","0.0667","","","0.1369","0.1668","","","","","","1.113","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210077","11.589","0.002","9.589","0.002","20.993","0.002","90","","91.678","0.009","90","","2331.9","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-(3-Methylpentane-2,4-dionato-κ^2^O,O')bis(2-phenylpyridine- κ^2^C,N)iridium(III)","","- C28 H25 Ir N2 O2 -","- C28 H25 Ir N2 O2 -","- C112 H100 Ir4 N8 O8 -","4","1","BH2036","Kim, Tae-Jeong; Lee, Uk","<i>cis</i>-(3-Methylpentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')bis(2-phenylpyridine-κ^2^<i>C</i>,<i>N</i>)iridium(III)","Acta Crystallographica Section E","2006","62","9","m2244","m2245","10.1107/S160053680603234X","","","0.71069","MoKα","","0.0609","0.0364","","","0.0675","0.0798","","","","","","1.126","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210078","7.107","0.002","8.521","0.003","11.535","0.004","102.383","0.005","100.235","0.006","99.499","0.006","656.3","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","N-(4-methylbenzyl)phthalimide","N-(4-methylbenzyl)phthalimide","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","BH2037","Chen, Ping; Zhang, Ling; Li, Dan","<i>N</i>-(4-Methylbenzyl)phthalimide","Acta Crystallographica Section E","2006","62","9","o4188","o4189","10.1107/S1600536806033812","","","0.71073","MoKα","","0.086","0.0445","","","0.1048","0.128","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210079","10.3137","0.0014","13.8137","0.0018","9.4334","0.0013","90","","101.218","0.002","90","","1318.3","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-chloro-bis[chloro(phenyl 2-pyridyl ketone oxime-κ^2^N,N')copper(II)]","","- C24 H20 Cl4 Cu2 N4 O2 -","- C24 H20 Cl4 Cu2 N4 O2 -","- C48 H40 Cl8 Cu4 N8 O4 -","2","0.5","BH2038","Xiang, Jing; Li, Qing; Mei, Ping","Di-μ-chloro-bis[chloro(phenyl 2-pyridyl ketone oxime-κ^2^<i>N</i>,<i>N</i>')copper(II)]","Acta Crystallographica Section E","2006","62","9","m2348","m2349","10.1107/S1600536806033836","","","0.71073","MoKα","","0.0498","0.0427","","","0.1089","0.1128","","","","","","1.077","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210080","14.362","0.005","8.22","0.003","14.36","0.002","90","","90","","90","","1695.3","0.9","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-Hydroxy-4,6-dimethyl-3H-isobenzofuran-1-one","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","1","BH2039","Wang, Ruo-Yu; Fang, Mei-Juan; Huang, Yao-Jian; Zheng, Zhong-Hui; Shen, Yue-Mao","7-Hydroxy-4,6-dimethyl-3<i>H</i>-isobenzofuran-1-one","Acta Crystallographica Section E","2006","62","9","o4172","o4173","10.1107/S1600536806033939","","","0.71073","MoKα","","0.0671","0.0606","","","0.1561","0.1612","","","","","","1.107","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210081","4.4423","0.0013","17.401","0.005","11.851","0.003","90","","96.882","0.005","90","","909.5","0.4","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1,2,3-benzotriazolium) chloranilate","","- C18 H12 Cl2 N6 O4 -","- C18 H12 Cl2 N6 O4 -","- C36 H24 Cl4 N12 O8 -","2","0.5","BH2041","Meng, Xiang-Gao; Qian, Jin-Liang","Bis(1,2,3-benzotriazolium) chloranilate","Acta Crystallographica Section E","2006","62","9","o4178","o4180","10.1107/S1600536806033976","","","0.71073","Mokα","","0.084","0.0524","","","0.1255","0.1386","","","","","","0.99","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210082","26.135","0.002","16.2883","0.0014","14.1273","0.0013","90","","118.138","0.001","90","","5303.2","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","hydronium μ-chloro-bis[bis(1,10-phenanthroline)copper(I)] hexatungstate monohydrate","","- C48 H37 Cl Cu2 N8 O21 W6 -","- C48 H32 Cl Cu2 N8 O21 W6 -","- C192 H128 Cl4 Cu8 N32 O84 W24 -","4","0.5","BI2028","Ma, Peng-Tao; Hu, Fu-Xin; Li, Ming-Xue; Wang, Jing-Ping","Hydronium μ-chloro-bis[bis(1,10-phenanthroline)copper(I)] hexatungstate monohydrate","Acta Crystallographica Section E","2006","62","9","m2241","m2243","10.1107/S160053680603220X","","","0.71073","MoKα","","0.0529","0.0407","","","0.1158","0.1232","","","","","","1.07","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210083","14.757","0.002","6.069","0.002","9.109","0.004","90","","104.02","0.06","90","","791.5","0.5","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-(4<i>R</i>,5<i>S</i>)-4-Methyl-5-phenyl-3-[-2(<i>S</i>)-phenylpropionyl]- oxazolidin-2-one","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","BI2029","Coumbarides, Gregory S.; Eames, Jason; Motevalli, Majid; Malatesti, Nela; Yohannes, Yonas","(+)-(4<i>R</i>,5<i>S</i>)-4-Methyl-5-phenyl-3-[2(<i>S</i>)-phenylpropionyl]oxazolidin-2-one","Acta Crystallographica Section E","2006","62","9","o4032","o4034","10.1107/S1600536806031813","","","0.71073","MoKα","","0.0311","0.0283","","","0.0733","0.075","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210084","13.066","0.008","9.509","0.008","7.201","0.004","90","","102.95","0.04","90","","871.9","1","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(-)-(4<i>R</i>,5<i>S</i>)-4-Methyl-3-[2(<i>R</i>)-(4-methylphenyl)propionyl]- 5-phenyloxazolidin-2-one","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","BI2030","Chavda, Sameer; Eames, Jason; Flinn, Anthony; Motevalli, Majid; Malatesti, Nela","(‒)-(4<i>R</i>,5<i>S</i>)-4-Methyl-3-[2(<i>R</i>)-(4-methylphenyl)propionyl]-5-phenyloxazolidin-2-one","Acta Crystallographica Section E","2006","62","9","o4037","o4038","10.1107/S1600536806031825","","","0.71073","MoKα","","0.0446","0.0322","","","0.0726","0.0775","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210085","7.105","0.003","25.662","0.012","9.58","0.008","90","","90","","90","","1746.7","1.8","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(4<i>R</i>,5<i>S</i>)-3-[2(<i>R</i>)-(4-Chlorophenyl)propionyl]-4-methyl- 5-phenyloxazolidin-2-one","","- C19 H18 Cl N O3 -","- C19 H18 Cl N O3 -","- C76 H72 Cl4 N4 O12 -","4","1","BI2031","Chavda, Sameer; Eames, Jason; Flinn, Anthony; Motevalli, Majid; Malatesti, Nela","(‒)-(4<i>R</i>,5<i>S</i>)-3-[2(<i>R</i>)-(4-Chlorophenyl)propionyl]-4-methyl-5-phenyloxazolidin-2-one","Acta Crystallographica Section E","2006","62","9","o4039","o4040","10.1107/S1600536806031837","","","0.71073","MoKα","","0.1314","0.0469","","","0.0848","0.1054","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210086","7.194","0.004","14.208","0.008","20.049","0.011","90","","90","","90","","2049","2","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(4<i>R</i>,5<i>S</i>)-3-[2(<i>S</i>)-(4-Isobutylphenyl)propionyl]- 4-methyl-5-phenyloxazolidin-2-one","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","BI2032","Coumbarides, Gregory S.; Dingjan, Marco; Eames, Jason; Motevalli, Majid; Malatesti, Nela","(+)-(4<i>R</i>,5<i>S</i>)-3-[2(<i>S</i>)-(4-Isobutylphenyl)propionyl]- 4-methyl-5-phenyloxazolidin-2-one","Acta Crystallographica Section E","2006","62","9","o4035","o4036","10.1107/S1600536806031849","","","0.71073","MoKα","","0.1069","0.0423","","","0.0856","0.1006","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210087","11.268","0.007","10.493","0.005","15.008","0.009","90","","102.96","0.04","90","","1729.3","1.7","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(-)-(4<i>R</i>,5<i>S</i>)-4-Methyl-3-[2(<i>S</i>)-phenoxypropionyl]- 5-phenyloxazolidin-2-one","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","2","BI2033","Chavda, Sameer; Eames, Jason; Motevalli, Majid; Malatesti, Nela","(‒)-(4<i>R</i>,5<i>S</i>)-4-Methyl-3-[2(<i>S</i>)-phenoxypropionyl]-5-phenyloxazolidin-2-one","Acta Crystallographica Section E","2006","62","9","o4043","o4045","10.1107/S1600536806031850","","","0.71069","MoKα","","0.046","0.0285","","","0.0607","0.0666","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210088","16.915","0.012","10.634","0.005","9.226","0.006","90","","90","","90","","1659.5","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(4<i>R</i>,5<i>S</i>)-4-Methyl-3-[2(<i>R</i>)-phenoxypropionyl]- 5-phenyloxazolidin-2-one","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","BI2034","Coumbarides, Gregory S.; Eames, Jason; Motevalli, Majid; Malatesti, Nela; Yohannes, Yonas","(+)-(4<i>R</i>,5<i>S</i>)-4-Methyl-3-[2(<i>R</i>)-phenoxypropionyl]-5-phenyloxazolidin-2-one","Acta Crystallographica Section E","2006","62","9","o4041","o4042","10.1107/S1600536806031862","","","0.71073","MoKα","","0.0844","0.04","","","0.0786","0.0893","","","","","","1.015","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210089","7.861","0.013","7.861","0.013","20.92","0.05","90","","90","","90","","1293","4","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","Cobalt nicotinate","Poly[di-μ-nicotinato-cobalt(II)]","","- C12 H8 Co N2 O4 -","- C12 H8 Co N2 O4 -","- C48 H32 Co4 N8 O16 -","4","0.5","BI2036","Wen-Jun Feng; Guang-Peng Zhou; Xue-Fang Zheng; Yu-Guo Liu; Yan Xu","Poly[di-μ-nicotinato-cobalt(II)]","Acta Crystallographica Section E","2006","62","9","m2033","m2035","10.1107/S1600536806029400","","","0.71073","MoKα","","0.0821","0.0606","","","0.1662","0.1731","","","","","","1.071","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210090","8.345","0.0003","8.345","0.0003","8.345","0.0003","90","","90","","90","","581.14","0.04","295","2","295","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Diammonium sodium aluminium fluoride","","- Al F6 H8 N2 Na -","- Al F6 H8 N2 Na -","- Al4 F24 H32 N8 Na4 -","4","0.0208333","BI2037","Luo, Shu-Ming; Wang, Cheng-Xin; Liu, Xiao-Xuan; Wei, Zan-Bin; Mi, Jin-Xiao","Diammonium sodium hexafluoroaluminate, (NH~4~)~2~NaAlF~6~","Acta Crystallographica Section E","2006","62","9","i179","i181","10.1107/S1600536806029369","","","0.71073","MoKα","","0.0202","0.0202","","","0.0522","0.0522","","","","","","1.364","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2210091","29.2675","0.0017","8.1613","0.0004","19.0984","0.0011","90","","92.206","0.002","90","","4558.5","0.4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CAPS","3-cyclohexylaminopropane-1-sulfonic acid hemihydrate","","- C9 H20 N O3.5 S -","- C9 H20 N O3.5 S -","- C144 H320 N16 O56 S16 -","16","2","BI2038","Ray J. Butcher; Deschamps, Jeffrey","3-Cyclohexylaminopropane-1-sulfonic acid hemihydrate","Acta Crystallographica Section E","2006","62","9","o3768","o3770","10.1107/S1600536806030650","","","0.71073","MoKα","","0.0383","0.0333","","","0.0817","0.0851","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210092","10.2987","0.0004","16.6174","0.0005","7.851","0.0003","90","","108.438","0.0018","90","","1274.63","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate","","- C13 H17 N O3 S -","- C13 H17 N O3 S -","- C52 H68 N4 O12 S4 -","4","1","BI2039","Harrison, William T. A.; Yathirajan, H. S.; Ashalatha, B. V.; Vijaya Raj, K. K.; Narayana, B.","Ethyl 2-acetylamino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate","Acta Crystallographica Section E","2006","62","9","o3732","o3734","10.1107/S1600536806030133","","","0.71073","MoKα","","0.0518","0.0357","","","0.0838","0.0912","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210093","11.301","0.018","12.035","0.008","12.066","0.015","112.97","0.09","97.09","0.07","92.12","0.1","1493","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Acetato[hydridotris(5-methyl-3-phenylpyrazoly)borato]copper(II)","","- C32 H31 B Cu N6 O2 -","- C32 H31 B Cu N6 O2 -","- C64 H62 B2 Cu2 N12 O4 -","2","1","BI2040","He, Hong-Shan","Acetato[hydridotris(5-methyl-3-phenylpyrazol-1-yl-κ<i>N</i>^2^)borato]copper(II)","Acta Crystallographica Section E","2006","62","9","m2016","m2017","10.1107/S1600536806029187","","","0.71073","MoKα","","0.086","0.0442","","","0.1043","0.1253","","","","","","1.012","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210094","12.102","0.002","18.526","0.003","15.307","0.003","90","","103.954","0.005","90","","3330.6","1","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyridyl)bis(O,O'-diisobutyl dithiophosphato-κ^2^S,S')nickel(II)","","- C26 H44 N2 Ni O4 P2 S4 -","- C26 H44 N2 Ni O4 P2 S4 -","- C104 H176 N8 Ni4 O16 P8 S16 -","4","1","BI2049","Berdugo, Erick; Tiekink, Edward R. T.","(2,2'-Bipyridyl)bis(<i>O</i>,<i>O</i>'-diisobutyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section E","2006","62","9","m2218","m2220","10.1107/S1600536806031916","","","0.7107","MoKα","","0.049","0.045","","","0.099","0.101","","","","","","1.09","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210095","8.3158","0.0007","13.798","0.001","10.3969","0.0008","90","","106.389","0.001","90","","1144.48","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methyl-1-(methylsulfinyl)naphtho[2,1-b]furan","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","1","BI2050","Choi, Hong Dae; Woo, Hyun Mi; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2-Methyl-1-(methylsulfinyl)naphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2006","62","9","o3881","o3882","10.1107/S1600536806032144","","","0.71073","MoKα","","0.0783","0.0655","","","0.1433","0.1513","","","","","","1.13","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210096","8.1443","0.0004","15.8684","0.0008","9.5313","0.0005","90","","105.684","0.001","90","","1185.93","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methyl-3-(methylsulfinyl)naphtho[1,2-b]furan","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","1","BI2051","Choi, Hong Dae; Woo, Hyun Mi; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2-Methyl-3-(methylsulfinyl)naphtho[1,2-<i>b</i>]furan","Acta Crystallographica Section E","2006","62","9","o3883","o3884","10.1107/S1600536806032156","","","0.71073","MoKα","","0.0839","0.0687","","","0.139","0.1461","","","","","","1.198","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210097","11.822","0.005","16.841","0.008","9.117","0.005","90","","90","","90","","1815.1","1.5","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,2'S,5'S,6'R,8'R,10'R)-3-Hydroxy-4-[5'-hydroxy-10'-hydroxymethyl-5'-methyl- 1',7',9'-trioxadispiro[5.1.5.2]pentadec-2'-yl]but-1-ene","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","BI2053","Tetsuzo Ito; Kuniyo Yamada; Masanobu Midorikawa; Takeshi Noda","(3<i>S</i>,2'<i>S</i>,5'<i>S</i>,6'<i>R</i>,8'<i>R</i>,10'<i>R</i>)-3-Hydroxy-4-(5'-hydroxy-10'-hydroxymethyl-5'-methyl-1',7',9'-trioxadispiro[5.1.5.2]pentadec-2'-yl)but-1-ene","Acta Crystallographica Section E","2006","62","9","o3968","o3969","10.1107/S1600536806032454","","","0.7107","MoKα","","","0.04","","","","0.041","","","","","","1.534","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210098","8.146","0.002","24.075","0.005","6.607","0.001","90","","96.93","0.03","90","","1286.3","0.5","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(Fluoren-9-ylidenemethyl)thiophene-2-carbaldehyde","","- C19 H12 O S -","- C19 H12 O S -","- C76 H48 O4 S4 -","4","1","BI2054","Perašínová, Lucia; Štefko, Martin; Végh, Daniel; Kožíšek, Jozef","5-(Fluoren-9-ylidenemethyl)thiophene-2-carbaldehyde","Acta Crystallographica Section E","2006","62","9","o3972","o3973","10.1107/S1600536806032776","","","0.71073","MoKα","","0.0752","0.0557","","","0.1555","0.1692","","","","","","1.066","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210099","4.7042","0.0004","8.9656","0.0007","10.3228","0.0008","81.103","0.002","85.72","0.002","83.333","0.002","426.51","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaqua(pyridine-2,6-dicarboxylato)nickel(II)","","- C7 H7 N Ni O6 -","- C7 H7 N Ni O6 -","- C14 H14 N2 Ni2 O12 -","2","1","BI2056","Liu, Ying; Dou, Jian-Min; Wang, Daqi; Zhang, Xian-Xi; Zhou, Lei","Diaqua(pyridine-2,6-dicarboxylato)nickel(II)","Acta Crystallographica Section E","2006","62","9","m2208","m2209","10.1107/S1600536806032119","","","0.71073","MoKα","","0.0446","0.0389","","","0.0994","0.1031","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210100","13.137","0.007","17.277","0.01","24.824","0.011","90","","110.82","0.03","90","","5266","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(3-mesitylpyrazol-1-yl)(5-mesitylpyrazol-1-yl)borohydrido]dichloro(5- mesitylpyrazole)titanium(III) toluene solvate","","- C55 H62 B Cl2 N8 Ti -","- C55 H62 B Cl2 N8 Ti -","- C220 H248 B4 Cl8 N32 Ti4 -","4","1","BM2002","Michiue, Kenji; Steele, Ian M.; Jordan, Richard F.","[Bis(3-mesitylpyrazol-1-yl)(5-mesitylpyrazol-1-yl)borohydrido]dichloro(5-mesitylpyrazole)titanium(III) toluene solvate","Acta Crystallographica Section E","2006","62","9","m2357","m2358","10.1107/S1600536806033903","","","0.55","synchrotron","","0.0918","0.052","","","0.117","0.1301","","","","","","0.97","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210101","19.1786","0.0002","10.5448","0.0001","32.9569","0.0004","90","","90","","90","","6665.02","0.12","200","","200","","","","","","","","","7","P n a 21","P 2c -2n","33","","Bis(triphenylphosphoranylidene)ammonium docosacarbonyl(μ~8~-phosphido)octaruthenate chloroform solvate","","- C59 H31 Cl3 N O22 P3 Ru8 -","- C59 H31 Cl3 N O22 P3 Ru8 -","- C236 H124 Cl12 N4 O88 P12 Ru32 -","4","1","BM2003","Michael D. Randles; Anthony C. Willis; Marie P. Cifuentes; Mark G. Humphrey","Bis(triphenylphosphoranylidene)ammonium docosacarbonyl(μ~8~-phosphido)octaruthenate chloroform solvate","Acta Crystallographica Section E","2006","62","9","m2350","m2351","10.1107/S1600536806034052","","","0.71073","MoKα","","0.0445","0.0237","","0.0362","0.0233","0.0233","","","","","","1.11","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210102","8.6443","0.0003","8.6443","0.0003","8.6443","0.0003","90","","90","","90","","645.94","0.04","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","mercury chromium 2-3 spinel","Mercury(II) chromium(III) tetroxide","","- Cr2 Hg O4 -","- Cr2 Hg O4 -","- Cr16 Hg8 O32 -","8","0.0416667","BR2011","Weil, Matthias; Stöger, Berthold","Spinel-type HgCr~2~O~4~ from single-crystal data","Acta Crystallographica Section E","2006","62","9","i199","i200","10.1107/S1600536806033952","","","0.71073","MoKα","","0.0141","0.0108","","","0.0226","0.0229","","","","","","1.147","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210103","18.1163","0.0015","5.6775","0.0005","14.1207","0.0007","90","","102.064","0.005","90","","1420.31","0.19","86","1","86","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethylammonium hydrogen oxalate hemihydrate","","- C4 H10 N O4.5 -","- C4 H10 N O4.5 -","- C32 H80 N8 O36 -","8","1","BT2120","Ejsmont, Krzysztof; Zaleski, Jacek","Ethylammonium hydrogen oxalate hemihydrate","Acta Crystallographica Section E","2006","62","9","o3879","o3880","10.1107/S1600536806027097","","","0.71073","MoKα","","0.044","0.0331","","","0.0935","0.0966","","","","","","1.141","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210104","11.691","0.002","9.336","0.003","12.37","0.002","90","","114.82","0.03","90","","1225.4","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Farnasiaside","(1S,3aR,5aR,6S,6aR,7S,9R,11aS,11bR,11cS)-7- (beta-D-glucopyranosyloxy)dodecahydro-1,6- dihydroxy-3a,11b-dimethyl-8-methylene-1H- 6a,9-Methanocyclohept[2,3]indeno[4,5-c] furan-3(3aH)-one","","- C26 H38 O10 -","- C26 H38 O10 -","- C52 H76 O20 -","2","1","BT2140","Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Banerjee, Sukdeb; Mondal, Nirup Bikash","Farnesiaside, a new diterpene glycoside","Acta Crystallographica Section E","2006","62","9","o4007","o4009","10.1107/S1600536806031722","","","1.54178","CuKα","","0.0304","0.0298","","","0.0847","0.0853","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210105","6.339","0.0013","9.313","0.0019","22.712","0.005","90","","90","","90","","1340.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C56 H72 N8 O8 -","4","1","BT2145","Wang, Pin-Liang; Wang, Hai-Bo; Ding, Wei-Lin; Liu, Zhi-Qian; Xing, Zhi-Tao","<i>N</i>-(2,6-Dimethylphenyl)-2-(2-oxo-1-pyrrolidin-1-yl)acetamide","Acta Crystallographica Section E","2006","62","9","o3838","o3839","10.1107/S1600536806031370","","","0.71073","MoKα","","0.0727","0.0459","","","0.1069","0.1214","","","","","","1.024","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210106","7.8943","0.0006","10.6426","0.0008","25.7386","0.0018","90","","94.642","0.001","90","","2155.4","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 2,6-dimethyl-4-[4-(benzoyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","BT2151","Sundar, T. V.; Parthasarathi, V.; Bansal, Ranju; Sridhar, B.","Dimethyl 4-[4-(benzoyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","9","o3701","o3703","10.1107/S1600536806030066","","","0.71073","MoKα","","0.0721","0.0496","","","0.1236","0.134","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210107","5.5309","0.0007","8.2737","0.001","7.1","0.0009","90","","103.801","0.001","90","","315.52","0.07","93","2","93","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","trimethylammonium iodide","","- C3 H10 I N -","- C3 H10 I N -","- C6 H20 I2 N2 -","2","0.5","BT2152","Gainsford, Graeme J.; Kemmitt, Tim","Redetermination of trimethylammonium iodide at 93 K","Acta Crystallographica Section E","2006","62","9","o3723","o3724","10.1107/S1600536806030261","","","0.71073","MoKα","","0.0099","0.0098","","","0.0236","0.0237","","","","","","1.227","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210108","6.332","0.002","12.103","0.004","22.424","0.008","90","","90","","90","","1718.5","1","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 4-(7-diethylamino-2-oxo-2H-1-benzopyran-3-yl)benzoate","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","BT2155","Takechi, Haruko; Kubo, Kanji; Takahashi, Hajime; Matsumoto, Taisuke","Methyl 4-(7-diethylamino-2-oxo-2<i>H</i>-1-benzopyran-3-yl)benzoate","Acta Crystallographica Section E","2006","62","9","o3826","o3828","10.1107/S1600536806031138","","","0.7107","MoKα","","","0.0464","","","","0.1348","","","","","","1.009","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210109","10.1723","0.0006","10.3446","0.0009","17.6278","0.001","90","","90","","90","","1854.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Bromo-10-oxa-3-thiatricyclo[5.2.1.0^1,5^]dec-8-ene 3,3-dioxide","","- C8 H9 Br O3 S -","- C8 H9 Br O3 S -","- C64 H72 Br8 O24 S8 -","8","1","BT2156","Koşar, Başak; Göktürk, Ersen; Demircan, Aydın; Büyükgüngör, Orhan","5-Bromo-10-oxa-3-thiatricyclo[5.2.1.0^1,5^]dec-8-ene 3,3-dioxide","Acta Crystallographica Section E","2006","62","9","o3868","o3869","10.1107/S160053680603090X","","","0.71073","MoKα","","0.0581","0.0354","","","0.062","0.0691","","","","","","0.952","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210110","5.644","0.002","8.141","0.004","12.94","0.005","75.626","0.001","86.664","0.001","86.384","0.001","574.2","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4-formylbenzoato-κ<i>O</i>)bis(1H-imidazole- κ<i>N</i>^3^)manganese(II)","","- C22 H22 Mn N4 O8 -","- C22 H22 Mn N4 O8 -","- C22 H22 Mn N4 O8 -","1","0.5","BT2157","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","Diaquabis(4-formylbenzoato-κ<i>O</i>)bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)manganese(II)","Acta Crystallographica Section E","2006","62","9","m2106","m2107","10.1107/S1600536806030522","","","0.71073","MoKα","","0.035","0.033","","","0.1","0.101","","","","","","1.15","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210111","7.349","0.002","10.42","0.003","10.658","0.003","79.076","0.005","71.784","0.004","78.503","0.005","752.6","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","7-cinnamoyloxy-4-methylcoumarin","4-methyl-7-(3-phenylpropenoyl)oxy -2H-1-benzopyran-2-one","","- C19 H14 O4 -","- C19 H14 O4 -","- C38 H28 O8 -","2","1","BT2158","Yang, Shu-Ping; Han, Li-Jun; Xia, Hai-Tao; Wang, Da-Qi","7-Cinnamoyloxy-4-methylcoumarin","Acta Crystallographica Section E","2006","62","9","o4181","o4182","10.1107/S1600536806034040","","","0.71073","MoKα","","0.0812","0.0453","","","0.1087","0.13","","","","","","0.994","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210112","5.858","0.001","22.09","0.003","8.212","0.001","90","","109.255","0.002","90","","1003.2","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-Poly[copper(I)-μ-2-(2-pyridyl)-1H-benzimidazolato-κ^2^N^1^:N^3^]","","- C12 H8 Cu N3 -","- C12 H8 Cu N3 -","- C48 H32 Cu4 N12 -","4","1","BT2159","Zeng, Ming-Hua; Shen, Xing-Can; Ng, Seik Weng","<i>catena</i>-Poly[copper(I)-μ-2-(2-pyridyl)-1<i>H</i>-benzimidazolato-κ^2^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section E","2006","62","9","m2194","m2195","10.1107/S1600536806031321","","","0.71073","MoKα","","0.045","0.041","","","0.121","0.125","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210113","17.7","0.001","16.897","0.001","18.19","0.001","90","","107.286","0.001","90","","5194.5","0.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-Tetrachlorobis{1-[(2,6-diisopropylphenyl)iminiomethyl]-2-naphtholato- κO}zirconium(IV) dichloromethane disolvate","","- C48 H54 Cl8 N2 O2 Zr -","- C48 H54 Cl8 N2 O2 Zr -","- C192 H216 Cl32 N8 O8 Zr4 -","4","0.5","BT2160","Zeng, Ming-Hua; Hu, Yang-Jian; Ng, Seik Weng","<i>trans</i>-Tetrachlorobis{1-[(2,6-diisopropylphenyl)iminiomethyl]-2-naphtholato-κ<i>O</i>}zirconium(IV) dichloromethane disolvate","Acta Crystallographica Section E","2006","62","9","m2196","m2197","10.1107/S160053680603131X","","","0.71073","MoKα","","0.068","0.052","","","0.146","0.161","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210114","11.1872","0.0011","19.1481","0.0019","12.2954","0.0012","90","","91.595","0.002","90","","2632.8","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Di-μ-fluoro- bis[(acetonitrile){N,N'-bis[(dimethylamino)(morpholino)methylene]propane- 1,3-diamine}copper(II)] bis(hexafluorophosphate)","","- C38 H74 Cu2 F14 N14 O4 P2 -","- C38 H74 Cu2 F14 N14 O4 P2 -","- C76 H148 Cu4 F28 N28 O8 P4 -","2","0.5","BT2161","Herres‒Pawlis, Sonja; Flörke, Ulrich; Henkel, Gerald","Di-μ-fluoro-bis[(acetonitrile){<i>N</i>,<i>N</i>'-bis[(dimethylamino)(morpholino)methylene]propane-1,3-diamine}copper(II)] bis(hexafluorophosphate): the first di-μ-fluoro-bridged dicopper bisguanidine compound","Acta Crystallographica Section E","2006","62","9","m2138","m2140","10.1107/S1600536806030972","","","0.71073","MoKα","","0.0962","0.0498","","","0.0931","0.1043","","","","","","0.857","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210115","7.6702","0.0013","20.626","0.004","9.2393","0.0016","90","","99.41","0.003","90","","1442","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-(3,5-Dinitrobenzoyl)-N,N-diethylthiourea","","- C12 H14 N4 O5 S -","- C12 H14 N4 O5 S -","- C48 H56 N16 O20 S4 -","4","1","BT2162","Emen, Fatih Mehmet; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan","<i>N</i>'-(3,5-Dinitrobenzoyl)-<i>N</i>,<i>N</i>-diethylthiourea","Acta Crystallographica Section E","2006","62","9","o3814","o3815","10.1107/S1600536806031163","","","0.71073","MoKα","","0.062","0.0464","","","0.1171","0.1317","","","","","","1.074","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210116","7.8575","0.0006","15.686","0.0012","11.4098","0.0009","90","","107.945","0.001","90","","1337.88","0.18","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[5-(4-Fluorophenyl)-1,2-oxazol-3-ylmethyl]-2-nitroiminoimidazolidine","","- C13 H12 F N5 O3 -","- C13 H12 F N5 O3 -","- C52 H48 F4 N20 O12 -","4","1","BT2163","K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy","1-[5-(4-Fluorophenyl)-1,2-oxazol-3-ylmethyl]-2-nitroiminoimidazolidine","Acta Crystallographica Section E","2006","62","9","o3850","o3851","10.1107/S160053680603159X","","","0.71073","MoKα","","0.0363","0.034","","","0.0932","0.0947","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210117","6.102","0.0017","14.45","0.003","23.763","0.008","90","","90","","90","","2095.3","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 17,17-ethylenedioxy-7-oxo-15β,16β-methylene-5-androstene-3β-carboxylate","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","BT2164","Wei Zhou; Wei-Xiao Hu; Chun-Nian Xia","Methyl 17,17-ethylenedioxy-7-oxo-15β,16β-methylene-5-androstene-3β-carboxylate","Acta Crystallographica Section E","2006","62","9","o4132","o4133","10.1107/S1600536806033745","","","0.71073","MoKα","","0.1099","0.0516","","","0.1244","0.154","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210118","19.1184","0.0014","12.539","0.0008","18.2869","0.0012","90","","110.521","0.004","90","","4105.7","0.5","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","mer-Bis[2-(6-fluoro-3-methylquinoxalin-2-yl-κN^1^)phenyl][3-phenyl-5- (2-pyridyl-κN)-1,2,4-triazol-1-yl]iridium(III) dichloromethane disolvate","","- C45 H33 Cl4 F2 Ir N8 -","- C45 H33 Cl4 F2 Ir N8 -","- C180 H132 Cl16 F8 Ir4 N32 -","4","1","BT2165","Jones, Peter G.; Ammermann, Sven; Daniliuc, Constantin; du Mont, Wolf-Walther; Kowalsky, Wolfgang; Johannes, Hans-Hermann","<i>mer</i>-Bis[2-(6-fluoro-3-methylquinoxalin-2-yl-κ<i>N</i>^1^)phenyl][3-phenyl-5-(2-pyridyl-κ<i>N</i>)-1,2,4-triazol-1-yl]iridium(III) dichloromethane disolvate","Acta Crystallographica Section E","2006","62","9","m2202","m2204","10.1107/S1600536806031680","","","0.71073","MoKα","","0.0396","0.0262","","","0.0607","0.0682","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210119","10.3807","0.0012","11.2172","0.0014","11.77","0.0014","112.085","0.007","108.206","0.007","93.159","0.007","1183","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(1R,2S)-Benzyl N-[3-(diisopropylaminocarbonyl)-2-phenylprop-3-enyl]carbamate","","- C25 H32 N2 O3 -","- C25 H32 N2 O3 -","- C50 H64 N4 O6 -","2","1","BT2166","Qu, Hong-Chang; Carducci, Michael D.; Nichol, Gary S.; Hruby, Victor J.","(1<i>R</i>,2<i>S</i>)-Benzyl <i>N</i>-[3-(diisopropylaminocarbonyl)-2-phenylprop-3-enyl]carbamate","Acta Crystallographica Section E","2006","62","9","o3921","o3922","10.1107/S1600536806032041","","","0.71073","MoKα","","0.0649","0.0487","","","0.1284","0.143","","","","","","1.051","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210120","8.4488","0.0004","10.5809","0.0005","11.552","0.0006","103.02","0.001","95.971","0.001","95.506","0.001","993.07","0.08","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 4-(4-isopropylcarbonyloxyphenyl)-2,6-dimethyl- 1,4-dihydropyridine-3,5-dicarboxylate","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C42 H50 N2 O12 -","2","1","BT2167","Sundar, T. V.; Parthasarathi, V.; Narang, Gaurav; Bansal, Ranju; Sridhar, B.","Dimethyl 4-(4-isopropylcarbonyloxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","9","o4001","o4003","10.1107/S160053680603217X","","","0.71073","MoKα","","0.0521","0.0485","","","0.1369","0.1409","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210121","14.28","0.003","5.1581","0.0013","12.25","0.003","90","","103.782","0.004","90","","876.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-(p-Phenylenedimethylenedithio)bis(4,5-dihydro-1,3-thiazine)","","- C16 H20 N2 S4 -","- C16 H20 N2 S4 -","- C32 H40 N4 S8 -","2","0.5","BT2168","De-Qian Shi; Wei Wang; Jing Wang; Hai-Jun Chi","2,2'-(<i>p</i>-Phenylenedimethylenedithio)bis(4,5-dihydro-1,3-thiazine)","Acta Crystallographica Section E","2006","62","9","o3949","o3950","10.1107/S160053680603248X","","","0.71073","MoKα","","0.06","0.0408","","","0.108","0.1256","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210122","10.631","0.002","9.357","0.0019","21.072","0.004","90","","92.09","0.03","90","","2094.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-Dimethoxy-3,3'-(3-nitrophenylmethanediyl)bis(1H-indole)","","- C25 H21 N3 O4 -","- C25 H21 N3 O4 -","- C100 H84 N12 O16 -","4","1","BT2169","Guo, Cheng; Zhang, Dong-Mei; Tang, Qing-Gang; Sun, Hong-Shun","5,5'-Dimethoxy-3,3'-(3-nitrophenylmethanediyl)bis(1<i>H</i>-indole)","Acta Crystallographica Section E","2006","62","9","o3994","o3995","10.1107/S1600536806032727","","","0.71073","MoKα","","0.1059","0.0608","","","0.1537","0.1924","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210123","7.6691","0.0002","12.7162","0.0003","13.3652","0.0003","90","","90","","90","","1303.4","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","salicylaldoxime","2-hydroxybenzaldehyde oxime","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","BT2170","Peter A. Wood; Ross S. Forgan; Simon Parsons; Elna Pidcock; Peter A. Tasker","Salicylaldoxime-III at 150 K","Acta Crystallographica Section E","2006","62","9","o3944","o3946","10.1107/S1600536806032375","","","0.71073","MoKα","","0.0388","0.0333","","0.0794","0.0781","0.0794","","","","","","0.9431","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2210124","4.701","0.001","12.415","0.002","14.083","0.003","110.77","0.03","93.16","0.03","96.04","0.03","760.5","0.3","291","0.3","291","0.3","","","","","","","","4","P -1","-P 1","2","","4-(2-Benzylaminoacetyl)-1,2,3,4-tetrahydroquinoxalin-2-one","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C34 H34 N6 O4 -","2","1","BT2171","Kruszynski, Rafal; Trzesowska, Agata; Czestkowski, Wojciech; Bartczak, Tadeusz J.; Mikiciuk-Olasik, Elżbieta","4-(2-Benzylaminoacetyl)-1,2,3,4-tetrahydroquinoxalin-2-one","Acta Crystallographica Section E","2006","62","9","o3974","o3976","10.1107/S1600536806032661","","","1.54178","CuKα","","0.0511","0.0444","","","0.1388","0.1554","","","","","","1.129","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210125","7.9181","0.0003","30.848","0.002","6.3894","0.0004","90","","90","","90","","1560.66","0.15","292","2","292","2","","","","","","","","5","P b c m","-P 2c 2b","57","","3-nitrophenylanilinium perchlorate‒3-nitroaniline (1/1)","","- C12 H13 Cl N4 O8 -","- C12 H13 Cl N4 O8 -","- C48 H52 Cl4 N16 O32 -","4","0.5","BT2172","Bao, Feng; Chen, Ying; Ng, Seik Weng","A cocrystal of 3-nitrophenylanilinium perchlorate and 3-nitroaniline","Acta Crystallographica Section E","2006","62","9","o4186","o4187","10.1107/S1600536806033873","","","0.71073","MoKα","","0.068","0.065","","","0.194","0.196","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210126","9.629","0.001","9.915","0.001","14.558","0.002","70.783","0.002","85.346","0.002","69.579","0.002","1229.1","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly{hemi[diaquacopper(II)]hemi[bis(<i>N</i>,<i>N</i>-\ dimethylformide-κ<i>O</i>)copper(II)][tris(salicylato-κ^2^<i>O</i>,\ <i>O</i>')titanate(IV)]}","","- C24 H21 Cu N O11 Ti -","- C24 H21 Cu N O11 Ti -","- C48 H42 Cu2 N2 O22 Ti2 -","2","1","BT2174","Yang, Jun-Ying; Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng","<i>catena</i>-Poly[hemi[diaquacopper(II)]-μ-salicylato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>''-[(salicylato-κ^2^<i>O</i>,<i>O</i>')titanate(IV)]-μ-salicylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''-hemi[bis(<i>N</i>,<i>N</i>-dimethylformide-κ<i>O</i>)copper(II)]]","Acta Crystallographica Section E","2006","62","9","m2307","m2309","10.1107/S1600536806033447","","","0.71073","MoKα","","0.13","0.089","","","0.169","0.191","","","","","","1.13","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210127","12.634","0.003","16.037","0.003","8.989","0.0018","90","","98.77","0.03","90","","1800","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-amino-4-(4-fluorophenyl)-4H-benzo[h]chromene-3-carboxylate","","- C22 H18 F N O3 -","- C22 H18 F N O3 -","- C88 H72 F4 N4 O12 -","4","1","BT2175","Tang, Qing-Gang; Ji, Chun-Xiang; Heng, Jing; Zhang, Dong-Mei","Ethyl 2-amino-4-(4-fluorophenyl)-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate","Acta Crystallographica Section E","2006","62","9","o4134","o4135","10.1107/S1600536806033733","","","0.71073","MoKα","","0.1111","0.0572","","","0.1439","0.1805","","","","","","0.991","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210128","4.129","0.002","11.192","0.006","25.732","0.015","90","","92.274","0.01","90","","1188.2","1.1","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2,2-dibromo-vinyl)-3,5-dimethoxy-benzene","","- C10 H10 Br2 O2 -","- C10 H10 Br2 O2 -","- C40 H40 Br8 O8 -","4","1","BV2023","Chang-Hua Hua; Yu-Ping Wei; Ye-Fei Nan; Xiao-Xiao Li; Liang-Dong Sun","1-(2,2-Dibromovinyl)-3,5-dimethoxybenzene","Acta Crystallographica Section E","2006","62","9","o3742","o3743","10.1107/S1600536806026262","","","0.71073","MoKα","","0.1","0.0655","","","0.1787","0.1944","","","","","","1.181","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210129","26.014","0.011","10.05","0.004","30.708","0.013","90","","93.223","0.007","90","","8016","6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,10-phenanthroline)[2-(2-pyridyl)-1<i>H</i>-benzimidazol-1-yl]ruthenium(II) perchlorate‒toluene‒acetonitrile (2/2/1)","","- C44 H33.5 Cl N7.5 O4 Ru -","- C176 H134 Cl4 N30 O16 Ru4 -","- C352 H268 Cl8 N60 O32 Ru8 -","2","0.25","BV2024","Yun-Jun Liu; Hui Chao; Jun-Hua Yao; Yi-Xian Yuan; Liang-Nian Ji","Bis(1,10-phenanthroline)[2-(2-pyridyl)-1<i>H</i>-benzimidazol-1-yl]ruthenium(II) perchlorate‒toluene‒acetonitrile (2/2/1)","Acta Crystallographica Section E","2006","62","9","m2128","m2129","10.1107/S1600536806030674","","","0.71073","MoKα","","0.0633","0.0516","","","0.1368","0.1404","","","","","","1.279","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210130","7.8731","0.0005","8.6501","0.0004","10.6902","0.0007","90","","101.206","0.005","90","","714.16","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Dibromobis(N,N'-dimethylethane-1,2-diamine-κ^2^N,N')nickel(II)","","- C8 H24 Br2 N4 Ni -","- C8 H24 Br2 N4 Ni -","- C16 H48 Br4 N8 Ni2 -","2","0.5","BV2025","W. G. Piyal Ariyananda; Richard E. Norman","<i>trans</i>-Dibromobis(<i>N</i>,<i>N</i>'-dimethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)","Acta Crystallographica Section E","2006","62","9","m2336","m2338","10.1107/S1600536806033769","","","1.5418","CuKα","","0.074","0.0722","","0.156","","0.1471","","","1.025","","","1.02","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210131","7.8639","0.0002","8.5786","0.0002","10.0186","0.0003","90","","99.9252","0.001","90","","665.75","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Dichlorobis(N,N'-dimethylethane-1,2-diamine-κ^2^N,N')nickel(II)","","- C8 H24 Cl2 N4 Ni -","- C8 H24 Cl2 N4 Ni -","- C16 H48 Cl4 N8 Ni2 -","2","0.5","BV2026","W. G. Piyal Ariyananda; Richard E. Norman","<i>trans</i>-Dichlorobis(<i>N</i>,<i>N</i>'-dimethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)","Acta Crystallographica Section E","2006","62","9","m2339","m2341","10.1107/S1600536806033770","","","0.7107","MoKα","","0.0322","0.0317","","0.0857","","0.0813","","","0.99305","","","1.0314","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210132","8.7402","0.0015","12.788","0.003","9.011","0.002","90","","116.703","0.013","90","","899.7","0.3","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-Diaquabis(N,N'-dimethylethane-1,2-diamine-κ^2^N,N')nickel(II) dichloride dihydrate","","- C8 H32 Cl2 N4 Ni O4 -","- C8 H32 Cl2 N4 Ni O4 -","- C16 H64 Cl4 N8 Ni2 O8 -","2","0.5","BV2027","Lawrence E. Moore Jr; Richard E. Norman","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>'-dimethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) dichloride dihydrate","Acta Crystallographica Section E","2006","62","9","m2342","m2344","10.1107/S1600536806033782","","","0.71073","MoKα","","0.0485","0.0423","","0.0809","","0.0718","","","0.9547","","","1.0073","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210133","7.0503","0.0003","10.9102","0.0005","15.0341","0.0006","90","","90","","90","","1156.43","0.09","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","AgBZT","Poly[aqua-μ-1H-1,2,3-benzotriazole-μ-nitrato-nitratodisilver(I)]","","- C6 H5 Ag2 N5 O7 -","- C6 H5 Ag2 N5 O7 -","- C24 H20 Ag8 N20 O28 -","4","1","BV2028","Whitcomb, David R.; Rajeswaran, Manju","Poly[aqua-μ-1<i>H</i>-1,2,3-benzotriazole-μ-nitrato-nitratodisilver(I)]","Acta Crystallographica Section E","2006","62","9","m2133","m2135","10.1107/S1600536806030686","","","0.71073","MoKα","","0.0732","0.0374","","","0.0668","0.078","","","","","","0.972","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210134","11.8967","0.0007","7.3825","0.0004","15.6221","0.0009","90","","101.359","0.003","90","","1345.17","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Strychninium (S)-2-(2-bromophenoxy)propanoate 1.4-hydrate","","- C30 H33.8 Br N2 O6.4 -","- C30 H33.8 Br N2 O6.4 -","- C60 H67.6 Br2 N4 O12.8 -","2","1","BV2029","Lineberry, Aaron M.; Wheeler, Kraig A.","Strychninium (<i>S</i>)-2-(2-bromophenoxy)propanoate 1.4-hydrate","Acta Crystallographica Section E","2006","62","9","o3870","o3872","10.1107/S1600536806030704","","","0.71073","MoKα","","0.0443","0.0316","","","0.0631","0.0658","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2210135","10.389","0.002","14.007","0.003","15.023","0.003","90","","94.61","0.03","90","","2179.1","0.8","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[aqua(dipyrido[3,2-a:2',3'-c]phenazine)zinc(II)]-μ-benzene- 1,4-dicarboxylato]","","- C26 H16 N4 O5 Zn -","- C26 H16 N4 O5 Zn -","- C104 H64 N16 O20 Zn4 -","4","1","BV2030","Liang Wang; Guang-Bo Che; Chun-Bo Liu","A new Zn^II^ coordination polymer with intermolecular π‒π interactions: <i>catena</i>-poly[[aqua(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)zinc(II)]-μ-benzene-1,4-dicarboxylato]","Acta Crystallographica Section E","2006","62","9","m2323","m2325","10.1107/S1600536806033794","","","0.71073","MoKα","","0.1552","0.0742","","","0.1532","0.1933","","","","","","1.008","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210136","12.164","0.002","10.927","0.002","15.952","0.003","90","","104.61","0.03","90","","2051.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[benzyltriethylammonium [cadmium(II)-tri-μ-thiocyanato-κ^4^N:S;κ^2^S:N]]","","- C16 H22 Cd N4 S3 -","- C16 H22 Cd N4 S3 -","- C64 H88 Cd4 N16 S12 -","4","1","BX2010","Luca Russo; Raj Pal Sharma; Subhranshu Sharma; Rajni Sharma; Kari Rissanen","<i>catena</i>-Poly[benzyltriethylammonium [tri-μ-thiocyanato-κ^4^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-cadmate(II)]]","Acta Crystallographica Section E","2006","62","9","m2011","m2013","10.1107/S1600536806028960","","","0.71073","MoKα","","0.0414","0.0287","","","0.0469","0.0519","","","","","","1.25","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210137","8.3215","0.0019","8.538","0.002","9.629","0.002","94.368","0.004","102.874","0.004","110.281","0.004","616.7","0.2","292","2","292","2","","","","","","","","5","P -1","-P 1","2","4,4'-Bipyridinium disaccharinate dihydrate","4,4'-Bipyridinium bis(2,3-dihydro-1,1,3-trioxo-1,2-benzothiazolate) dihydrate","","- C24 H22 N4 O8 S2 -","- C24 H22 N4 O8 S2 -","- C24 H22 N4 O8 S2 -","1","0.5","BX2014","Wang, Zi-Liang; Wei, Lin-Heng","4,4'-Bipyridinium disaccharinate dihydrate","Acta Crystallographica Section E","2006","62","9","o4014","o4016","10.1107/S1600536806030121","","","0.71073","MoKα","","0.0754","0.0558","","","0.1427","0.1537","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210138","9.447","0.003","9.631","0.004","10.41","0.004","93.485","0.004","107.74","0.005","95.205","0.004","894.5","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-iodoacetato-bis[(2,2'-bipyridyl)(iodoacetato)copper(II)] hemihydrate","","- C28 H26 Cu2 I4 N4 O9 -","- C28 H26 Cu2 I4 N4 O9 -","- C28 H26 Cu2 I4 N4 O9 -","1","0.5","BX2016","Zhi-Gang Zhang; Xin-Dian Dong; Yan-Ping Li; Xiao-Hua Pu; Fangjun Huo; Miaoli Zhu","Di-μ-iodoacetato-bis[(2,2'-bipyridyl)(iodoacetato)copper(II)] hemihydrate","Acta Crystallographica Section E","2006","62","9","m2326","m2327","10.1107/S1600536806033599","","","0.71073","MoKα","","0.051","0.0468","","","0.1282","0.131","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210139","23.315","0.005","8.319","0.0017","18.452","0.004","90","","109.18","0.03","90","","3380.2","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N-(2,4-dichlorophenoxyacetyl)-N'-(4-nitrophenyl)thiourea","","- C15 H11 Cl2 N3 O4 S -","- C15 H11 Cl2 N3 O4 S -","- C120 H88 Cl16 N24 O32 S8 -","8","1","BX2018","Qian-Jin Li; Chun-Long Yang; Xue-Qun Xie; Jin-Xiang Luo","<i>N</i>-(2,4-Dichlorophenoxyacetyl)-<i>N</i>'-(4-nitrophenyl)thiourea","Acta Crystallographica Section E","2006","62","9","o4102","o4103","10.1107/S1600536806033010","","","0.71073","MoKα","","0.1183","0.0639","","","0.1386","0.1701","","","","","","1.083","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210140","13.8892","0.0011","6.2703","0.0005","14.98","0.0011","90","","95.151","0.001","90","","1299.33","0.17","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl La O8 -","- C10 H12 Cl La O8 -","- C40 H48 Cl4 La4 O32 -","4","1","CF2038","Xiao-Feng Li; Zheng-Bo Han","Poly[diaquachloro(μ~3~-<i>p</i>-phenylenedioxydiacetato)lanthanum(III)]","Acta Crystallographica Section E","2006","62","9","m2024","m2025","10.1107/S1600536806029473","","","0.71073","MoKα","","0.025","0.0229","","","0.0527","0.0538","","","","","","1.057","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210141","14.1426","0.001","11.8646","0.0009","17.8516","0.0013","90","","105.475","0.004","90","","2886.8","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-[5-(4-fluorophenyl)-3-isopropylisoxazol-4-yl]pyridine","4-[5-(4-Fluorophenyl)-3-isopropylisoxazol-4-yl]pyridine","","- C17 H15 F N2 O -","- C17 H15 F N2 O -","- C136 H120 F8 N16 O8 -","8","1","CF2048","Christian Peifer; Mohammed Abadleh; Schollmeyer, Dieter; Stefan Laufer","4-[5-(4-Fluorophenyl)-3-isopropylisoxazol-4-yl]pyridine","Acta Crystallographica Section E","2006","62","9","o3647","o3649","10.1107/S1600536806029448","","","0.71069","MoKα","","0.1026","0.0558","","","0.133","0.1505","","","","","","0.886","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210142","10.3612","0.0012","6.5999","0.0006","7.2077","0.0011","90","","103.685","0.009","90","","478.89","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Imexon","4-Imino-1,3-diazabicyclo[3.1.0]hexan-2-one","","- C4 H5 N3 O -","- C4 H5 N3 O -","- C16 H20 N12 O4 -","4","1","CF2050","Philip J. Kuehl; Carducci, Michael D.; Paul B. Myrdal","4-Imino-1,3-diazabicyclo[3.1.0]hexan-2-one","Acta Crystallographica Section E","2006","62","9","o3688","o3690","10.1107/S1600536806029412","","","0.71073","MoKα","","0.1788","0.0593","","","0.1118","0.1407","","","","","","0.703","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210143","15.49","0.002","11.4393","0.0009","17.878","0.003","90","","110.838","0.007","90","","2960.7","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-[3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine","4-[3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine","","- C17 H15 F N2 O -","- C17 H15 F N2 O -","- C136 H120 F8 N16 O8 -","8","1","CF2051","Christian Peifer; Mohammed Abadleh; Schollmeyer, Dieter; Stefan Laufer","4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine","Acta Crystallographica Section E","2006","62","9","o3707","o3709","10.1107/S1600536806030467","","","1.54178","CuKα","","0.0801","0.066","","","0.1818","0.1979","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210144","9.99","0.002","10.913","0.003","12.6758","0.0019","81.055","0.017","78.137","0.016","70.86","0.02","1271.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 5-nitro-2-(phenylamino)pyridine-4-carboxylate","","- C13 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","2","CF2052","Hansen, Lars Kr.; Tjosås, Freddy; Fiksdahl, Anne","Methyl 5-nitro-2-(phenylamino)pyridine-4-carboxylate","Acta Crystallographica Section E","2006","62","9","o3728","o3729","10.1107/S1600536806030546","","","0.71069","MoKα","","0.1178","0.0408","","","0.095","0.1155","","","","","","0.95","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210145","11.1366","0.0005","11.2816","0.0005","14.2124","0.0007","69.564","0.001","84.559","0.001","67.11","0.001","1539.74","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,8-Bis(3-formyl-2-oxido-5-methylbenzyl}-1,8-diaza-4,11-diazoniacyclotetradecane chloroform solvate","","- C29 H41 Cl3 N4 O4 -","- C29 H41 Cl3 N4 O4 -","- C58 H82 Cl6 N8 O8 -","2","1","CI2102","D. Gayathri; D. Velmurugan; K. Ravikumar; S. Sreedaran; V. Narayanan","1,8-Bis(3-formyl-5-methyl-2-oxidobenzyl)-1,8-diaza-4,11-diazoniacyclotetradecane chloroform solvate","Acta Crystallographica Section E","2006","62","9","o3714","o3715","10.1107/S1600536806029874","","","0.71073","MoKα","","0.0617","0.0535","","","0.1532","0.1608","","","","","","1.069","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210146","15.005","0.004","9.591","0.003","12.505","0.003","90","","90","","90","","1799.6","0.9","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Diaqua(ethylenediamine)(N,N,N',N'-tetramethylethylenediamine)nickel(II) dichloride dihydrate","","- C8 H32 Cl2 N4 Ni O4 -","- C8 H32 Cl2 N4 Ni O4 -","- C32 H128 Cl8 N16 Ni4 O16 -","4","0.5","CI2103","Chen, Zi-Lu; Zhang, Yu-Zhen; Liang, Fu-Pei","Diaqua(ethylenediamine)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)nickel(II) dichloride dihydrate","Acta Crystallographica Section E","2006","62","9","m2287","m2289","10.1107/S1600536806032909","","","0.71073","MoKα","","0.0485","0.0375","","","0.0983","0.1123","","","","","","1.086","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210147","11.5456","0.0011","6.8521","0.0004","14.0447","0.0014","90","","101.185","0.008","90","","1089.99","0.17","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Z)-6-[(2-Fluorophenylamino)methylene]-2,3-dihydroxycyclohexa-2,4-dienone","(Z)-6-[(2-Fluorophenylininio)methylene]-2,3-dihydroxyphenolate","","- C13 H10 F N O3 -","- C13 H10 F N O3 -","- C52 H40 F4 N4 O12 -","4","1","CI2106","Petek, Hande; Albayrak, Çi̇ğdem; Ağar, Erbi̇l; Kalkan, Hüseyi̇n","(<i>Z</i>)-6-[(2-Fluorophenyliminio)methylene]-2,3-dihydroxyphenolate","Acta Crystallographica Section E","2006","62","9","o3685","o3687","10.1107/S1600536806029606","","","0.71073","MoKα","","0.0892","0.0513","","","0.1084","0.1237","","","","","","0.964","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210148","13.735","0.003","12.088","0.002","9.942","0.002","90","","112.79","0.03","90","","1521.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[aqua(μ-5-carboxyimidazole-4-carboxylato- κ^4^N^3^,O^4^:N^1^,O^5^)zinc(II)] hemihydrate]","","- C10 H10 N4 O11 Zn2 -","- C5 H4 N2 O5.5 Zn -","- C40 H32 N16 O44 Zn8 -","8","1","CI2107","Lin, Xian-Feng","<i>catena</i>-Poly[[aqua(μ-5-carboxyimidazole-4-carboxylato-κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^1^,<i>O</i>^5^)zinc(II)] hemihydrate]","Acta Crystallographica Section E","2006","62","9","m2039","m2040","10.1107/S1600536806029928","","","0.71073","MoKα","","0.0465","0.0389","","","0.1017","0.1065","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210149","7.83868","0.0001","26.9917","0.0005","10.80804","0.00018","90","","92.9632","0.0013","90","","2283.7","0.06","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Amodiaquinium dihydrochloride dihydrate","5-[(7-chloroquinolinium-4-yl)amino]-2-hydroxybenzyl}dimethylammonium dichloride dihydrate","","- C20 H28 Cl3 N3 O3 -","- C20 H28 Cl3 N3 O3 -","- C80 H112 Cl12 N12 O12 -","4","1","CI2110","Llinàs, Antonio; Fábián, László; Burley, Jonathan C.; Van de Streek, Jacco; Goodman, Jonathan M.","Amodiaquinium dichloride dihydrate from laboratory powder diffraction data","Acta Crystallographica Section E","2006","62","9","o4196","o4199","10.1107/S1600536806033691","","","1.78892","CoKα~1~","","","","","","","","","","1.29","","","","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210150","8.3846","0.0009","14.3899","0.0009","20.0275","0.0015","90","","90.287","0.011","90","","2416.4","0.4","120","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(dithiobenzoato-κ^2^S,S')bis(tetrahydrofuran-κO)magnesium(II)","","- C22 H26 Mg O2 S4 -","- C22 H26 Mg O2 S4 -","- C88 H104 Mg4 O8 S16 -","4","1","CI2115","Grubba, Rafal; Wojnowski, Wieslaw; Baranowska, Katarzyna; Baum, Elke; Pikies, Jerzy","Bis(dithiobenzoato-κ^2^<i>S</i>,<i>S</i>')bis(tetrahydrofuran-κ<i>O</i>)magnesium(II)","Acta Crystallographica Section E","2006","62","9","m2080","m2081","10.1107/S1600536806030339","","","0.71073","MoKα","","","0.0401","","","","0.0974","","","","","","0.845","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210151","11.901","0.004","14.72","0.003","13.0391","0.0017","90","","105.154","0.018","90","","2204.8","0.9","120","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromo(dithiobenzoato-κ^2^S,S')tris(tetrahydrofuran-κO)magnesium(II)","","- C19 H29 Br Mg O3 S2 -","- C19 H29 Br Mg O3 S2 -","- C76 H116 Br4 Mg4 O12 S8 -","4","1","CI2116","Grubba, Rafal; Wojnowski, Wieslaw; Baranowska, Katarzyna; Pikies, Jerzy","Bromo(dithiobenzoato-κ^2^<i>S</i>,<i>S</i>')tris(tetrahydrofuran-κ<i>O</i>)magnesium(II): a redetermination","Acta Crystallographica Section E","2006","62","9","m2082","m2083","10.1107/S1600536806030431","","","0.71073","MoKα","","","0.0703","","","","0.1811","","","","","","1.069","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210152","10.6579","0.0002","13.8592","0.0003","8.4098","0.0003","90","","91.2829","0.0011","90","","1241.9","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Chloro-2',3'-dimethoxybiphenyl","","- C14 H13 Cl O2 -","- C14 H13 Cl O2 -","- C56 H52 Cl4 O8 -","4","1","CI2118","Vyas, Sandhya M.; Parkin, Sean; Robertson, Larry W.; Lehmler, Hans-Joachim","4-Chloro-2',3'-dimethoxybiphenyl","Acta Crystallographica Section E","2006","62","9","o3639","o3640","10.1107/S1600536806028923","","","0.71073","MoKα","","0.063","0.0417","","","0.106","0.1176","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210153","16.432","0.003","10.8059","0.0017","16.627","0.003","90","","112.1","0.003","90","","2735.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[bis(3-hydroxynaphthalene-2-carboxylato)zinc(II)]- μ-4,4'-bipyridine-κ^2^N:N'] hemihydrate]","","- C32 H23 N2 O6.5 Zn -","- C32 H23 N2 O6.5 Zn -","- C128 H92 N8 O26 Zn4 -","4","1","CI2120","Ling-Yun Zhang; Xian-Zhong Sun","<i>catena</i>-Poly[[[bis(3-hydroxynaphthalene-2-carboxylato)zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] hemihydrate]","Acta Crystallographica Section E","2006","62","9","m2238","m2240","10.1107/S1600536806029667","","","0.71073","MoKα","","0.0737","0.0426","","","0.1027","0.1216","","","","","","1.013","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210154","6.79","0.001","24.642","0.005","18.136","0.004","90","","99.43","0.03","90","","2993.5","1","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(1,10-Phenananthroline)tricyanotricopper(I)","catena-poly[[(1,10-phenanthroline-κ^2^N,N')cupriocyano]copper(II)]- μ-cyano-[[(1,10-phenanthroline-κ^2^N,N')cupriocyano]copper(II)]- μ-cyano-copper(II)-μ-cyano-copper(II)-μ-cyano]","","- C15 H8 Cu3 N5 -","- C15 H8 Cu3 N5 -","- C120 H64 Cu24 N40 -","8","1","CI2121","Liu, Ju-Tao; Ng, Seik Weng","<i>catena</i>-Poly[tri-μ-cyano-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>'-tricopper(I)]","Acta Crystallographica Section E","2006","62","9","m2005","m2007","10.1107/S1600536806028935","","","0.71073","MoKα","","0.092","0.06","","","0.149","0.171","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210155","11.451","0.0003","12.9718","0.0004","18.6903","0.0005","86.052","0.007","77.064","0.006","65.352","0.004","2458.32","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichlorobis[(diphenylphosphinoethyl-κP)diphenylphosphine oxide]digold(I)(Au—Au) monohydrate","","- C52 H50 Au2 Cl2 O3 P4 -","- C52 H50 Au2 Cl2 O3 P4 -","- C104 H100 Au4 Cl4 O6 P8 -","2","1","CI2123","Zai-Lai Xie; Zhong-Ning Chen","Dichlorobis[(diphenylphosphinoethyl-κ<i>P</i>)diphenylphosphine oxide]digold(I)(<i>Au</i>—<i>Au</i>) monohydrate","Acta Crystallographica Section E","2006","62","9","m2277","m2278","10.1107/S1600536806032703","","","0.71073","MoKα","","0.0494","0.0434","","","0.1115","0.1142","","","","","","0.998","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210156","6.9371","0.0005","14.0202","0.0011","15.1206","0.0012","98.986","0.005","93.986","0.006","90.256","0.006","1448.88","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Tetrachlorvinphos (Stirofos, Gardona)","2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate","","- C10 H9 Cl4 O4 P -","- C10 H9 Cl4 O4 P -","- C40 H36 Cl16 O16 P4 -","4","2","CI2124","Baughman, Russell G.","Tetrachlorvinphos","Acta Crystallographica Section E","2006","62","9","o4109","o4111","10.1107/S1600536806033368","","","0.71073","MoKα","","0.0543","0.0433","","","0.1091","0.1161","","","","","","1.12","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210157","12.9035","0.0011","20.8191","0.0015","9.0126","0.0007","90","","93.05","0.07","90","","2417.7","0.4","295","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-bis(9H-carbazol-9-yl)propane‒tetrachloro-p-benzoquinone (2/1)","","- C60 H44 Cl4 N4 O2 -","- C60 H44 Cl4 N4 O2 -","- C120 H88 Cl8 N8 O4 -","2","0.5","CI2125","Arslan, Mustafa; Asker, Erol; Krafcik, Randolph B.; Masnovi, John; Baker, Ronald J.","A 2:1 complex of 1,3-bis(9<i>H</i>-carbazol-9-yl)propane and tetrachloro-<i>p</i>-benzoquinone (<i>p</i>-chloranil)","Acta Crystallographica Section E","2006","62","9","o4055","o4057","10.1107/S1600536806031886","","","0.71073","MoKα","","0.0722","0.0401","","","0.0844","0.0972","","","","","","1.022","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210158","6.8613","0.0014","8.3961","0.0017","14.61","0.003","105.08","0.03","98.7","0.03","94.15","0.03","797.8","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[pyrazino[2,3-f][1,10]phenanthroline]zinc(II)]- μ~4~-fumarato-μ~2~-fumarato]","","- C18 H10 N4 O4 Zn -","- C18 H10 N4 O4 Zn -","- C36 H20 N8 O8 Zn2 -","2","1","CI2127","Guang-Bo Che; Bo Liu","<i>catena</i>-Poly[[[pyrazino[2,3-<i>f</i>][1,10]phenanthroline]zinc(II)]-μ~4~-fumarato-μ~2~-fumarato]","Acta Crystallographica Section E","2006","62","9","m2036","m2038","10.1107/S1600536806029643","","","0.71073","MoKα","","0.0649","0.045","","","0.0984","0.1063","","","","","","1.075","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210159","30.972","0.003","8.1625","0.0008","14.6599","0.0014","90","","116.927","0.001","90","","3304.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-(Benzotriazol-1-yl)-1-(p-tolyl)-2-(1H-1,2,4-triazol-2-yl)propan-1-one","","- C18 H16 N6 O -","- C18 H16 N6 O -","- C144 H128 N48 O8 -","8","1","CI2128","Yue-Qin Yu; Jun Wan; Zheng-Zhong Peng; Ping-Kai Ouyang; Shu-Sheng Zhang","3-(Benzotriazol-1-yl)-1-(<i>p</i>-tolyl)-2-(1<i>H</i>-1,2,4-triazol-2-yl)propan-1-one","Acta Crystallographica Section E","2006","62","9","o3670","o3671","10.1107/S1600536806029710","","","0.71073","MoKα","","0.0623","0.0437","","","0.1044","0.1147","","","","","","1.035","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210160","17.112","0.002","15.361","0.002","6.738","0.001","90","","90","","90","","1771.1","0.4","295","2","295","2","","","","","","","","5","I b a m","-I 2 2c","72","","catena-Poly[[[bis(1H-benzimidazole-κN^3^)cobalt(II)]di-μ-azido] dihydrate]","","- C14 H16 Co N10 O2 -","- C14 H16 Co N10 O2 -","- C56 H64 Co4 N40 O8 -","4","0.25","CI2131","Zhang, Chong; Ai, Hong-Qi; Sun, De-Zhi; Ng, Seik Weng","<i>catena</i>-Poly[[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cobalt(II)]-di-μ-azido] dihydrate]","Acta Crystallographica Section E","2006","62","9","m2045","m2046","10.1107/S1600536806029618","","","0.71073","MoKα","","0.062","0.035","","","0.081","0.095","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210161","14.866","0.003","10.499","0.002","24.121","0.005","90","","90","","90","","3764.8","1.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-1,3-Dimethyl-5-p-tolyloxy-1H-pyrazole-4-carbaldehyde O-(6-chloropyridazin-3-yl)oxime","","- C18 H18 Cl N5 O2 -","- C18 H18 Cl N5 O2 -","- C144 H144 Cl8 N40 O16 -","8","1","CI2132","Fang-Zhong Hu; Yong-Qiang Chang; Yong-Quan Zhu; XiaO Miao Zou; Hua-Zheng Yang","(<i>E</i>)-1,3-Dimethyl-5-<i>p</i>-tolyloxy-1<i>H</i>-pyrazole-4-carbaldehyde <i>O</i>-(6-chloropyridazin-3-yl)oxime","Acta Crystallographica Section E","2006","62","9","o3676","o3677","10.1107/S160053680602993X","","","0.71073","MoKα","","0.1378","0.0554","","","0.1368","0.1867","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210162","7.9634","0.0005","14.67","0.0009","20.542","0.0013","90","","90","","90","","2399.8","0.3","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Secodukunolide F","methyl 2-[4-(3-furyl)-6 b,10a-dihydroxy-3a,7,9,9- tetramethyl-6,10-dioxo-2,3,3a,6b,7,8,9,10,10a,11-decahydro- 1aH,4H,6H-benzo[h][1]benzoxireno[3,2,1a-de]isochromen- 8-yl]acetate","","- C27 H32 O9 -","- C27 H32 O9 -","- C108 H128 O36 -","4","1","CI2133","Hoong-Kun Fun; Suchada Chantrapromma; Nawong Boonnak; Kanchuree Chaiyadej; Kan Chantrapromma; Xiao-Lan Yu","<i>seco</i>-Dukunolide F: a new tetranortriterpenoid from <i>Lansium domesticum </i>Corr.","Acta Crystallographica Section E","2006","62","9","o3725","o3727","10.1107/S1600536806030145","","","0.71073","MoKα","","0.0442","0.0423","","","0.1176","0.12","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210163","13.1091","0.0002","7.2172","0.0001","16.9995","0.0004","90","","108.719","0.001","90","","1523.26","0.05","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dipropyl naphthalene-1,8-dicarboxylate","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","CI2135","Lin-Hai Jing; Da-Bin Qin; Huan-Xia Zhang; Shao-Jin Gu; Gang Lei","Di-<i>n</i>-propyl naphthalene-1,4-dicarboxylate","Acta Crystallographica Section E","2006","62","9","o3683","o3684","10.1107/S160053680602962X","","","0.71073","MoKα","","0.0377","0.0344","","","0.0989","0.1013","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210164","4.6264","0.001","35.911","0.007","10.342","0.002","90","","101.974","0.016","90","","1680.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2-Hydroxy-3-methoxy-5-[(4-propylphenyl)diazenyl]benzaldehyde","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","CI2136","Karadayı, Nevzat; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-2-Hydroxy-3-methoxy-5-[(4-propylphenyl)diazenyl]benzaldehyde","Acta Crystallographica Section E","2006","62","9","o3695","o3696","10.1107/S1600536806029631","","","0.71073","MoKα","","0.1628","0.0376","","","0.0514","0.0586","","","","","","0.8","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210165","8.764","0.001","8.2705","0.0009","22.348","0.003","90","","99.784","0.002","90","","1596.3","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-(4-Hydroxy-3-methoxybenzylidene)-2-methoxybenzohydrazide ethanol hemisolvate","","- C17 H19 N2 O4.5 -","- C17 H19 N2 O4.5 -","- C68 H76 N8 O18 -","4","1","CI2138","Jing, Zuo-Liang; Zhao, Yan-Li; Chen, Xin; Yu, Ming","<i>N</i>'-(4-Hydroxy-3-methoxybenzylidene)-2-methoxybenzohydrazide ethanol hemisolvate","Acta Crystallographica Section E","2006","62","9","o4087","o4088","10.1107/S1600536806033290","","","0.71073","MoKα","","0.0584","0.0471","","","0.1384","0.1482","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2210166","11.362","0.001","16.951","0.002","29.566","0.003","90","","91.812","0.002","90","","5691.5","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{4-chloro-2-[2-(isopropylamino)ethyliminomethyl]phenolato}cobalt(III) perchlorate","","- C24 H32 Cl3 Co N4 O6 -","- C24 H32 Cl3 Co N4 O6 -","- C192 H256 Cl24 Co8 N32 O48 -","8","2","CI2139","Yuan, Chun-Lan","Bis{4-chloro-2-[2-(isopropylamino)ethyliminomethyl]phenolato}cobalt(III) perchlorate","Acta Crystallographica Section E","2006","62","9","m2257","m2259","10.1107/S1600536806031394","","","0.71073","MoKα","","0.1685","0.0818","","","0.1955","0.2376","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210167","18.382","0.0018","11.7845","0.0012","16.4961","0.0016","90","","111.444","0.002","90","","3326.1","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","syn-N-[2-Methyl-1-(4-methyl-phenyl)-3-oxo-3-phenyl-propyl]-acetamide","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","2","CI2140","Chakraborty, Santu; Maiti, Swarupananda; Ghosh, Rina; Mukherjee, Alok. K.","<i>syn</i>-<i>N</i>-[2-Benzoyl-1-(4-methylphenyl)propyl]acetamide: supramolecular structure formed by N—H···O, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section E","2006","62","9","o4092","o4094","10.1107/S1600536806033381","","","0.71073","MoKα","","0.0904","0.0582","","","0.1239","0.1369","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210168","8.219","0.0016","9.257","0.0019","13.203","0.003","71.84","0.03","78.39","0.03","82.73","0.03","932.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 2-amino-4-(3-nitrophenyl)-4H-benzo[h]chromene-3-carboxylate","","- C21 H16 N2 O5 -","- C21 H16 N2 O5 -","- C42 H32 N4 O10 -","2","1","CI2141","Tang, Shi-Gui; Tang, Qing-Gang; Wu, Wen-Yuan; Guo, Cheng; Ji, Chun-Xiang","Methyl 2-amino-4-(3-nitrophenyl)-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate","Acta Crystallographica Section E","2006","62","9","o4100","o4101","10.1107/S1600536806031412","","","0.71073","MoKα","","0.0326","0.0243","","","0.0756","0.0766","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210169","12.307","0.0003","20.1236","0.0006","12.121","0.0004","90","","108.173","0.001","90","","2852.16","0.15","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Diphenylnaphthalene-1,4-dicarboxamide dimethylacetamide disolvate","","- C32 H36 N4 O4 -","- C32 H36 N4 O4 -","- C128 H144 N16 O16 -","4","1","CI2142","Ming-Qi Li; Lin-Hai Jing","<i>N</i>,<i>N</i>'-Diphenylnaphthalene-1,4-dicarboxamide dimethylacetamide disolvate","Acta Crystallographica Section E","2006","62","9","o3877","o3878","10.1107/S1600536806031874","","","0.71073","MoKα","","0.051","0.0436","","","0.1226","0.1295","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210170","6.2552","0.0005","6.3403","0.0005","26.648","0.002","90","","90","","90","","1056.86","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O3 -","- C11 H15 N O3 -","- C44 H60 N4 O12 -","4","1","CI2143","Xing-You Xu; Tong-Tao Xu; Da-Qi Wang; Jian Gao; Guo-Xiang Xu","2-[1-(2-Hydroxyethyliminio)ethyl]-5-methoxyphenolate","Acta Crystallographica Section E","2006","62","9","o4030","o4031","10.1107/S1600536806033393","","","0.71073","MoKα","","0.0418","0.0374","","","0.1094","0.1255","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210171","10.671","0.005","20.789","0.01","12.097","0.006","90","","100.204","0.007","90","","2641","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2-[N-Benzyl-N- (diphenylphosphinomethyl)amino]pyridine}tricarbonylchlororhenium(I)","","- C28 H23 Cl N2 O3 P Re -","- C28 H23 Cl N2 O3 P Re -","- C112 H92 Cl4 N8 O12 P4 Re4 -","4","1","CI2144","Qing-Shan Li; Yong-Jian Zhao; Feng-Bo Xu; Hai-Bin Song; Zheng-Zhi Zhang","{2-[<i>N</i>-Benzyl-<i>N</i>-(diphenylphosphinomethyl)amino]pyridine}tricarbonylchlororhenium(I)","Acta Crystallographica Section E","2006","62","9","m2366","m2367","10.1107/S160053680603323X","","","0.71073","MoKα","","0.0622","0.0348","","","0.0624","0.0688","","","","","","1.005","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210172","10.971","0.004","6.274","0.002","13.54","0.004","90","","103.115","0.005","90","","907.7","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","7-(4-fluorophenyl)-8H-benzo[h]indeno[1,2-b]quinolin-8-one","","- C26 H14 F N O -","- C26 H14 F N O -","- C52 H28 F2 N2 O2 -","2","1","CI2145","Shu-Jiang Tu; Yan Zhang; Run-Hong Jia","7-(4-Fluorophenyl)-8<i>H</i>-benzo[<i>h</i>]indeno[1,2-<i>b</i>]quinolin-8-one","Acta Crystallographica Section E","2006","62","9","o3928","o3929","10.1107/S1600536806032430","","","0.71073","MoKα","","0.0783","0.0387","","","0.075","0.0894","","","","","","0.997","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210173","15.7797","0.0003","5.8463","0.0001","32.4291","0.0006","90","","119.088","0.001","90","","2614.35","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(4-Bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","1-(4-Bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C128 H104 Br8 O16 -","8","2","CI2146","Venkataraya Shettigar; Mohd Mustaqim Rosli; Hoong-Kun Fun; Ibrahim Abdul Razak; P. S. Patil; S. M. Dharmaprakash","1-(4-Bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o4128","o4129","10.1107/S1600536806033708","","","0.71073","MoKα","","0.0669","0.0478","","","0.1142","0.1253","","","","","","1.17","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210174","5.6325","0.0004","13.8274","0.0011","10.7341","0.0008","90","","99.105","0.001","90","","825.47","0.11","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","2,6-Diphenyl-1-propylpiperidine","","- C20 H25 N -","- C20 H25 N -","- C40 H50 N2 -","2","0.5","CI2147","D. Gayathri; D. Velmurugan; K. Ravikumar; E. Poonguzhali; H. Surya Prakash Rao","2,6-Diphenyl-1-propylpiperidine","Acta Crystallographica Section E","2006","62","9","o4169","o4171","10.1107/S1600536806033897","","","0.71073","MoKα","","0.0581","0.0529","","","0.161","0.1686","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210175","10.5985","0.0003","11.297","0.0002","12.7652","0.0003","90","","107.697","0.001","90","","1456.07","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","CI2148","Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Saylam, Aytül; Ertan, Nermin","5-(4-Ethoxyphenyldiazenyl)-8-hydroxyquinoline","Acta Crystallographica Section E","2006","62","9","o4130","o4131","10.1107/S1600536806033575","","","0.71073","MoKα","","0.1816","0.1135","","","0.1813","0.2046","","","","","","1.244","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210176","13.93","0.003","13.499","0.003","8.904","0.0018","90","","96.95","0.03","90","","1662","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Methyl 2-amino-4-(2',6'-difluorophenyl)-4H-naphtho[1,2-b]chromene-3-carboxylate","","- C21 H15 F2 N O3 -","- C21 H15 F2 N O3 -","- C84 H60 F8 N4 O12 -","4","1","CI2149","Guo, Cheng; Tang, Qing-Gang; Wu, Wen-Yuan; Zhang, Dong-Mei","Methyl 2-amino-4-(2,6-difluorophenyl)-4<i>H</i>-naphtho[1,2-<i>b</i>]chromene-3-carboxylate","Acta Crystallographica Section E","2006","62","9","o4098","o4099","10.1107/S160053680603340X","","","0.71073","MoKα","","0.0687","0.0618","","","0.1764","0.1843","","","","","","1.056","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210177","22.183","0.007","10.444","0.003","12.326","0.004","90","","106.705","0.005","90","","2735.2","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(1H-Benzotriazol-1-yl)-1-(4-chlorophenyl)propan-1-one","","- C15 H12 Cl N3 O -","- C15 H12 Cl N3 O -","- C120 H96 Cl8 N24 O8 -","8","1","CI2150","Jun Wan; Wu-Lan Zeng; Yue-Qin Yu; Sai Bi; Shu-Sheng Zhang","3-(1<i>H</i>-Benzotriazol-1-yl)-1-(4-chlorophenyl)propan-1-one","Acta Crystallographica Section E","2006","62","9","o4203","o4204","10.1107/S1600536806034246","","","0.71073","MoKα","","0.0689","0.0451","","","0.1028","0.1152","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210178","9.4","0.002","10.739","0.002","31.821","0.007","90","","90","","90","","3212.2","1.2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Dimethoxyphosphoryl)(phenyl)methyl benzoate","","- C16 H17 O5 P -","- C16 H17 O5 P -","- C128 H136 O40 P8 -","8","1","CS2009","Fang, Hua; Zeng, Zhi-Ping; Fang, Mei-Juan; Ji, Tao; Zhao, Yu-Fen","(Dimethoxyphosphoryl)(phenyl)methyl benzoate","Acta Crystallographica Section E","2006","62","9","o3797","o3798","10.1107/S1600536806028492","","","0.71073","MoKα","","0.0774","0.0602","","","0.1642","0.1784","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210179","8.6328","0.0011","11.3075","0.0015","18.312","0.002","90","","99.909","0.002","90","","1760.9","0.4","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(1α,12α)-Ethyl 15-ethoxy-4-hydroxy-2-oxo-9-oxatetracyclo[10,2,2,01,10,3,8]hexadeca- 4,6,8,13-tetraene-13-carboxylate","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","CS2012","Heredia-Moya, Jorge; Krohn, Karsten; Flörke, Ulrich; Araya-Maturana, Ramiro","(1α,12α)-Ethyl 15-ethoxy-4-hydroxy-2-oxo-9-oxatetracyclo[10.2.2.0^1,10^.0^3,8^]hexadeca-4,6,8,13-tetraene-13-carboxylate","Acta Crystallographica Section E","2006","62","9","o3636","o3638","10.1107/S1600536806029175","","","0.71073","MoKα","","0.052","0.0421","","","0.1072","0.1132","","","","","","1.041","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210180","16.887","0.006","16.887","0.006","13.332","0.005","90","","90","","90","","3802","2","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","Ethyl 1-acetyl-3-amino-1H-pyrazole-4-carboxylate","","- C8 H11 N3 O3 -","- C8 H11 N3 O3 -","- C128 H176 N48 O48 -","16","4","CS2018","Koziol, Anna E.; Lis, Tadeusz; Kolodziejczyk, Edyta; Kusakiewicz-Dawid, Anna; Rzeszotarska, Barbara","Ethyl 1-acetyl-3-amino-1<i>H</i>-pyrazole-4-carboxylate, a tetragonal structure with <i>Z</i>' = 4","Acta Crystallographica Section E","2006","62","9","o3664","o3666","10.1107/S1600536806029515","","","0.71073","MoKα","","0.0635","0.0461","","","0.1086","0.115","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210181","4.5301","0.0007","23.424","0.002","12.5843","0.0019","90","","92.52","0.012","90","","1334.1","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(2,6-dimethylanilino)phthalide","3-(2,6-Dimethylanilino)isobenzofuran-1(3H)-one","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","CS2020","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(2,6-Dimethylanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","9","o4140","o4141","10.1107/S1600536806033307","","","0.71073","MoKα","","0.178","0.0569","","","0.09","0.1213","","","","","","0.88","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210182","15.0236","0.00018","7.32295","0.00012","22.5164","0.0003","90","","106.02","0.0006","90","","2380.99","0.06","295","","275","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-azabicyclo[3.3.1]nonane-2,4-dione 1-methylnaphthalene hemisolvate","","- C13.5 H16 N O2 -","- C13.5 H16 N O2 -","- C108 H128 N8 O16 -","8","2","CV2076","Hulme, Ashley T; Fernandes, Philippe; Florence, Alastair; Johnston, Andrea; Shankland, Kenneth","Powder study of 3-azabicyclo[3.3.1]nonane-2,4-dione 1-methylnaphthalene hemisolvate","Acta Crystallographica Section E","2006","62","9","o3752","o3754","10.1107/S1600536806030078","","","1.54056","CuKα~1~","","","","","","","","","","1.996","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2210183","14.8206","0.0015","14.8206","0.0015","13.248","0.003","90","","90","","120","","2520.1","0.7","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Tris(3,3'-diamino-2,2'-bipyridine)cadmium(II) dinitrate","","- C30 H30 Cd N14 O6 -","- C30 H30 Cd N14 O6 -","- C90 H90 Cd3 N42 O18 -","3","0.166667","CV2080","Shi, Jing-Min; Chen, Ju-Na; Liu, Lian-Dong","Tris(3,3'-diamino-2,2'-bipyridine)cadmium(II) dinitrate","Acta Crystallographica Section E","2006","62","9","m2094","m2095","10.1107/S1600536806030625","","","0.71073","MoKα","","0.0235","0.0234","","","0.0594","0.0595","","","","","","1.108","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210184","7.1975","0.0008","9.3817","0.001","19.422","0.003","90","","92.314","0.009","90","","1310.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(4-Chlorobenzoyl)methyl]-4,6-dimethyl-2(1H)-pyrimidone","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C56 H52 Cl4 N8 O8 -","4","1","CV2083","Victor B. Rybakov; Vadim L. Alifanov; Pavel V. Gormay; Eugene V. Babaev","1-[(4-Chlorobenzoyl)methyl]-4,6-dimethyl-2(1<i>H</i>)-pyrimidone","Acta Crystallographica Section E","2006","62","9","o3840","o3841","10.1107/S1600536806031199","","","1.5418","CuKα","","0.0597","0.0356","","","0.0762","0.0859","","","","","","0.955","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210185","8.639","0.002","9.617","0.003","16.951","0.004","90","","99.324","0.005","90","","1389.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[diaquapyridinecadmium(II)]-μ-terephthalato]","","- C13 H13 Cd N O6 -","- C13 H13 Cd N O6 -","- C52 H52 Cd4 N4 O24 -","4","1","CV2084","Qing-Ling Ni; Fa-Si Li; Xiu-Jian Wang; Xian-Shu Bi; Liu-Chen Gui","<i>catena</i>-Poly[[diaquapyridinecadmium(II)]-μ-terephthalato]","Acta Crystallographica Section E","2006","62","9","m2054","m2056","10.1107/S160053680603008X","","","0.71073","MoKα","","0.0325","0.0219","","","0.0545","0.0594","","","","","","1.052","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210186","8.9808","0.0005","12.1341","0.0007","17.873","0.001","90","","90","","90","","1947.69","0.19","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-Poly[[diaqua[(Z)-3-(1H-benzimidazol-2-yl)prop-2-enoato- κ^2^N,O]cobalt(II)]-μ-(Z)-3-(1H-benzimidazol-2-yl)prop-2-enoato-κ^2^O:O']","","- C20 H18 Co N4 O6 -","- C20 H18 Co N4 O6 -","- C80 H72 Co4 N16 O24 -","4","1","CV2086","Zeng, Ming-Hua; Zhou, Yan-Ling; Ng, Seik Weng","<i>catena</i>-Poly[[diaqua[(<i>Z</i>)-3-(1<i>H</i>-benzimidazol-2-yl)prop-2-enoato-κ^2^<i>N</i>,<i>O</i>]cobalt(II)]-μ-(<i>Z</i>)-3-(1<i>H</i>-benzimidazol-2-yl)prop-2-enoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","9","m2099","m2100","10.1107/S1600536806030340","","","0.71073","MoKα","","0.037","0.028","","","0.064","0.068","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210187","15.318","0.001","8.3847","0.0007","16.14","0.001","90","","109.771","0.001","90","","1950.8","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-Bis[(1H-benzimidazol-2-yl)methanol-κ^2^N,O]bis(thiocyanato-κN)cobalt(II)","","- C18 H16 Co N6 O2 S2 -","- C18 H16 Co N6 O2 S2 -","- C72 H64 Co4 N24 O8 S8 -","4","0.5","CV2087","Zeng, Ming-Hua; Zhou, Yan-Ling; Ng, Seik Weng","<i>cis</i>-Bis[(1<i>H</i>-benzimidazol-2-yl)methanol-κ^2^<i>N</i>,<i>O</i>]bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2006","62","9","m2101","m2102","10.1107/S1600536806030352","","","0.71073","MoKα","","0.058","0.037","","","0.09","0.101","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210188","8.2566","0.0003","12.5783","0.0004","21.3073","0.0006","83.034","0.001","82.918","0.001","84.628","0.001","2172.79","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H56 Hg N2 S10 -","- C30 H56 Hg N2 S10 -","- C60 H112 Hg2 N4 S20 -","2","1","CV2088","Guo, Wen Feng; Xu, Dong; Yu, Wen Tao; Wang, Xin Qiang; Zhang, Guang Hui","Bis(tetra-<i>n</i>-propylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)mercurate(II)","Acta Crystallographica Section E","2006","62","9","m2345","m2347","10.1107/S1600536806033514","","","0.71073","MoKα","","0.0658","0.031","","","0.064","0.07","","","","","","0.844","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210189","5.9177","0.0014","7.2815","0.0017","29.518","0.007","90","","96.776","0.005","90","","1263","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F N3 O -","- C15 H12 F N3 O -","- C60 H48 F4 N12 O4 -","4","1","CV2089","Yue-Qin Yu; Wu-Lan Zeng; Jun Wan; Sai Bi; Shu-Sheng Zhang","3-(1<i>H</i>-Benzotriazol-1-yl)-1-(4-fluorophenyl)propan-1-one","Acta Crystallographica Section E","2006","62","9","o4065","o4066","10.1107/S1600536806033526","","","0.71073","MoKα","","0.0963","0.0531","","","0.1082","0.1224","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210190","13.362","0.004","9.718","0.002","13.757","0.004","90","","99.72","0.01","90","","1760.7","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rel</i>-(1R,4R,9R)-1-Acetyl-9-(azepan-1-yl)-1,4-dihydro- 1,4-ethanonaphthalene-9-carbonitrile","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","1","CV2090","Döpp, Dietrich; Kruse, Claudia; Flörke, Ulrich; Henkel, Gerald","<i>rel</i>-(1<i>R</i>,4<i>R</i>,9<i>R</i>)-1-Acetyl-9-(azepan-1-yl)-1,4-dihydro-1,4-ethanonaphthalene-9-carbonitrile","Acta Crystallographica Section E","2006","62","9","o3735","o3736","10.1107/S1600536806030571","","","0.71073","MoKα","","0.0646","0.0454","","","0.1024","0.1121","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210191","7.7311","0.0006","10.7183","0.0008","12.691","0.001","90","","100.416","0.006","90","","1034.3","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-Diisopropyl-4,4'-(hexane-1,6-diyl)bis[1H-1,2,4-triazol-5(4H)-one] dihydrate","","- C16 H32 N6 O4 -","- C16 H32 N6 O4 -","- C32 H64 N12 O8 -","2","0.5","CV2091","Yavuz Köysal; Şamil Işık; Kemal Sancak; Yasemin Ünver","3,3'-Diisopropyl-4,4'-(hexane-1,6-diyl)bis[1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one] dihydrate","Acta Crystallographica Section E","2006","62","9","o3907","o3909","10.1107/S1600536806031576","","","0.71073","MoKα","","0.0549","0.0422","","","0.1182","0.1266","","","","","","0.923","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210192","5.8137","0.0018","18.89","0.005","6.8843","0.0018","90","","111.906","0.003","90","","701.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[μ-salicylato-lead(II)]","","- C7 H4 O3 Pb -","- C7 H4 O3 Pb -","- C28 H16 O12 Pb4 -","4","1","CV2092","Yu, Qing; Zhang, Xiu-Qing; Deng, Ji-Hua; Bian, He-Dong; Liang, Hong","Poly[μ-salicylato-lead(II)]","Acta Crystallographica Section E","2006","62","9","m2279","m2280","10.1107/S1600536806032168","","","0.71073","MoKα","","0.0868","0.0757","","","0.2023","0.2137","","","","","","1.055","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210193","10.849","0.003","4.6324","0.0013","25.094","0.006","90","","102.484","0.009","90","","1231.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-N-(2-pyridylmethyl)benzamide monohydrate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","CV2093","Yong-Hong Wen; Yue-Qin Yu; Kun Zhang; Xue-Mei Li; Shu-Sheng Zhang","2-Hydroxy-<i>N</i>-(2-pyridylmethyl)benzamide monohydrate","Acta Crystallographica Section E","2006","62","9","o3782","o3783","10.1107/S1600536806031205","","","0.71073","MoKα","","0.1103","0.051","","","0.1278","0.1622","","","","","","0.886","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210194","7.6626","0.0001","18.2969","0.0003","19.4176","0.0003","90","","90","","90","","2722.38","0.07","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl N-(4-phenyl-1,3-thiazol-2-yl)dithioimidocarbonate","","- C12 H12 N2 S3 -","- C12 H12 N2 S3 -","- C96 H96 N16 S24 -","8","1","CV2094","Sema Öztürk Yıldırım; Mehmet Akkurt; Murat Koca; Memet Şekerci; H.-K. Fun","Dimethyl <i>N</i>-(4-phenyl-1,3-thiazol-2-yl)dithioimidocarbonate","Acta Crystallographica Section E","2006","62","9","o3902","o3903","10.1107/S1600536806031382","","","0.71069","MoKα","","0.0887","0.0416","","","0.0897","0.1064","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210195","9.8245","0.0003","6.2085","0.0002","10.8823","0.0003","90","","107.472","0.001","90","","633.15","0.03","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,5-diacetylanthracene","","- C18 H14 O2 -","- C18 H14 O2 -","- C36 H28 O4 -","2","0.5","CV2095","Ming-Qi Li; Lin-Hai Jing","1,5-Diacetylanthracene","Acta Crystallographica Section E","2006","62","9","o3852","o3853","10.1107/S1600536806031357","","","0.71073","MoKα","","0.0368","0.0341","","","0.1018","0.1081","","","","","","1.021","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210196","5.454","0.002","12.152","0.005","12.584","0.005","87.763","0.006","80.56","0.006","81.395","0.005","813.4","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","Octyl 3-(3,4-dihydroxyphenyl)prop-2-enoate","","- C17 H24 O4 -","- C17 H24 O4 -","- C34 H48 O8 -","2","1","CV2097","Chun-Nian Xia; Wei-Xiao Hu; Wei Zhou","Octyl 3-(3,4-dihydroxyphenyl)prop-2-enoate","Acta Crystallographica Section E","2006","62","9","o3900","o3901","10.1107/S1600536806031588","","","0.71073","MoKα","","0.1128","0.0624","","","0.1577","0.1812","","","","","","0.957","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210197","8.643","0.002","22.391","0.006","20.983","0.005","90","","98.506","0.005","90","","4016.1","1.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3(5,10)-Anthracena-7(1,3)-benzena-1,5(1,3)-diimidazolacyclooctaphane-1,3-diium dihexafluorophosphate acetonitrile trisolvate","","- C36 H35 F12 N7 P2 -","- C36 H35 F12 N7 P2 -","- C144 H140 F48 N28 P8 -","4","1","CV2098","Da-Bin Qin; Lin-Hai Jin; Shao-Jin Gu; Huan-Xia zhang","3(5,10)-Anthracena-7(1,3)-benzena-1,5(1,3)-diimidazolacyclooctaphane-1,3-diium bis(hexafluorophosphate) acetonitrile trisolvate","Acta Crystallographica Section E","2006","62","9","o4176","o4177","10.1107/S1600536806033216","","","0.71073","MoKα","","0.1421","0.0542","","","0.1338","0.1794","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210198","6.286","0.0002","10.653","0.0004","15.215","0.0006","103.147","0.0014","96.562","0.0014","104.143","0.003","946.4","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-pyridone‒1,1'-bis(4-hydroxyphenyl)cyclohexane (1/1)","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C46 H50 N2 O6 -","2","1","CV2099","Lavy, Tali; Kaftory, Menahem","Inclusion compound 2-pyridone‒1,1-bis(4-hydroxyphenyl)cyclohexane (1/1)","Acta Crystallographica Section E","2006","62","9","o3977","o3978","10.1107/S1600536806032752","","","0.71073","MoKα","","0.0847","0.0459","","","0.1076","0.1216","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210199","10.931","0.002","16.737","0.003","11.34","0.002","90","","99.93","0.03","90","","2043.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-methyl-2-pyridone‒1,1'-bis(4-hydroxyphenyl)cyclohexane (1/1)","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","1","CV2100","Lavy, Tali; Kaganovich, Marina; Kaftory, Menahem","Inclusion compound 4-methyl-2-pyridone‒1,1-bis(4-hydroxyphenyl)cyclohexane (1/1)","Acta Crystallographica Section E","2006","62","9","o3979","o3980","10.1107/S1600536806032764","","","0.71073","MoKα","","0.1052","0.046","","","0.1097","0.1268","","","","","","0.965","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210200","9.5417","0.0001","18.459","0.0003","11.0653","0.0002","90","","123.814","0.001","90","","1619.27","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Benzyloxy-3-methoxyphenyl)-1H-benzimidazole","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","CV2101","Mohammed H. Al-Douh; Shafida A. Hamid; Hasnah Osman; Shea-Lin Ng; Hoong-Kun Fun","2-(2-Benzyloxy-3-methoxyphenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2006","62","9","o3954","o3956","10.1107/S160053680603251X","","","0.71073","MoKα","","0.0659","0.0501","","","0.1276","0.1373","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210201","13.46","0.002","12.094","0.003","10.762","0.002","90","","94.456","0.003","90","","1746.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-Diphenyl-3-(2-thienyl)pentane-1,5-dione","","- C21 H18 O2 S -","- C21 H18 O2 S -","- C84 H72 O8 S4 -","4","1","CV2102","Xian-Qiang Huang; Hui Wang; Jian-Min Dou; Da-Qi Wang; Jin-Xian Wang","1,5-Diphenyl-3-(2-thienyl)pentane-1,5-dione","Acta Crystallographica Section E","2006","62","9","o4020","o4021","10.1107/S1600536806032429","","","0.71073","MoKα","","0.1253","0.0612","","","0.146","0.1997","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210202","5.6117","0.0009","6.556","0.002","9.5321","0.0012","90","","90","","90","","350.69","0.13","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine III","L-serine","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","CV2104","Tatiana N. Drebushchak; Heidrun Sowa; Yuryi V. Seryotkin; Elena V. Boldyreva; Hans Ahsbahs","<small>L</small>-Serine III at 8.0 GPa","Acta Crystallographica Section E","2006","62","9","o4052","o4054","10.1107/S1600536806032508","","","0.71073","MoKα","","0.1562","0.0455","","","0.0654","0.0872","","","","","","0.388","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210203","10.012","0.002","10.488","0.002","11.124","0.002","67.78","0.03","77.92","0.03","78.07","0.03","1046.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3,3'-Bis(2,4-dichlorophenoxyacetyl)-1,1'-(2,2'-dimethylbiphenyl-4,4'- diyl)dithiourea N,N-dimethylformamide disolvate","","- C38 H40 Cl4 N6 O6 S2 -","- C38 H40 Cl4 N6 O6 S2 -","- C38 H40 Cl4 N6 O6 S2 -","1","0.5","CV2105","Qian-Jin Li; Chun-long Yang; Xue-Qun Xie","3,3'-Bis(2,4-dichlorophenoxyacetyl)-1,1'-(2,2'-dimethylbiphenyl-4,4'-diyl)dithiourea <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2006","62","9","o4104","o4105","10.1107/S1600536806033253","","","0.71073","MoKα","","0.1738","0.0759","","","0.1314","0.1608","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210204","9.245","0.004","10.487","0.006","14.357","0.006","97.72","0.04","98.49","0.04","93.49","0.05","1359.6","1.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(1,10-phenanthroline-κ^2^N,N')cobalt(II) dihydrogenophosphate nitrate dihydrate","","- C24 H26 Co N5 O11 P -","- C24 H26 Co N5 O11 P -","- C48 H52 Co2 N10 O22 P2 -","2","1","DN2037","Abdelhak, Jawher; Namouchi Cherni, Saoussen; Zid, Mohamed Faouzi; Driss, Ahmed","Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) dihydrogenphosphate nitrate dihydrate","Acta Crystallographica Section E","2006","62","9","m2394","m2396","10.1107/S1600536806023221","","","0.71073","MoKα","","0.0827","0.0441","","","0.0998","0.1152","","","","","","1.015","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210205","8.9954","0.001","20.745","0.002","13.553","0.002","90","","93.002","0.005","90","","2525.6","0.5","105","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,4,6-Trimethyldithiobenzoato)(triphenylphosphine)gold(I)","","- C28 H26 Au P S2 -","- C28 H26 Au P S2 -","- C112 H104 Au4 P4 S8 -","4","1","ER2015","Yin, Ming; Fronczek, Frank R.; Schuerman, Judith A.; Selbin, Joel; Watkins, Steven F.","(2,4,6-Trimethyldithiobenzoato)(triphenylphosphine)gold(I)","Acta Crystallographica Section E","2006","62","9","m2392","m2393","10.1107/S1600536806034118","","","0.71073","MoKα","","","0.0273","","","","0.054","","","","","","0.945","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210206","9.7037","0.0019","11.706","0.002","12.293","0.003","90","","107.27","0.03","90","","1333.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Carbamoyl-2,2,5,5-tetramethylpyrrolidin-1-yl acetate","","- C11 H20 N2 O3 -","- C11 H20 N2 O3 -","- C44 H80 N8 O12 -","4","1","EZ2016","Yang-Ping Liu; Xiu-Feng Zhang; Ke-Jian Liu; Yang Liu","3-Carbamoyl-2,2,5,5-tetramethylpyrrolidin-1-yl acetate","Acta Crystallographica Section E","2006","62","9","o3672","o3673","10.1107/S1600536806029849","","","0.71073","MoKα","","0.083","0.051","","","0.133","0.146","","","","","","0.999","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210207","17.9617","0.0015","10.6921","0.0005","15.5496","0.0013","90","","111.329","0.009","90","","2781.7","0.4","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua-hexakis(μ~2~-fluoroacetato-κ^2^O:O')(fluoroacetato-κO)-μ~3~-oxo- triiron(III) dihydrate","","- C14 H22 F7 Fe3 O19 -","- C14 H22 F7 Fe3 O19 -","- C56 H88 F28 Fe12 O76 -","4","1","EZ2017","Rohde, Alexander; Urland, Werner","Diaquahexakis(μ~2~-fluoroacetato-κ^2^<i>O</i>:<i>O</i>')(fluoroacetato-κ<i>O</i>)-μ~3~-oxo-triiron(III) dihydrate","Acta Crystallographica Section E","2006","62","9","m2103","m2105","10.1107/S1600536806029898","","","0.71073","MoKα","","0.043","0.032","","","0.082","0.085","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210208","11.158","0.004","7.674","0.003","30.95","0.012","90","","90","","90","","2650.1","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triaqua[N-(5-formysalicylidene)glycinato(2-)-κ^3^O,N,O']nickel(II) monohydrate","","- C10 H15 N Ni O8 -","- C10 H15 N Ni O8 -","- C80 H120 N8 Ni8 O64 -","8","1","EZ2018","Xu-Hui Liu; Jin-Hua Cai; Yi-Min Jiang; Ying-Heng Huang; Xiu-Ju Yin","Triaqua[<i>N</i>-(5-formysalicylidene)glycinato(2‒)-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']nickel(II) monohydrate","Acta Crystallographica Section E","2006","62","9","m2119","m2121","10.1107/S1600536806030698","","","0.71073","MoKα","","0.053","0.038","","","0.087","0.092","","","","","","1.01","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210209","7.1721","0.0003","7.9624","0.0003","14.5849","0.0006","90","","95.719","0.002","90","","828.76","0.06","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,7R)-2-Benzyloxy-7-bromomethyl-1,2,7-trimethylbicyclo[2.2.1]heptane","","- C18 H25 Br O -","- C18 H25 Br O -","- C36 H50 Br2 O2 -","2","1","EZ2019","Ya-Wen Wang; Yu Peng","(2<i>S</i>,7<i>R</i>)-2-Benzyloxy-7-bromomethyl-1,2,7-trimethylbicyclo[2.2.1]heptane","Acta Crystallographica Section E","2006","62","9","o3885","o3886","10.1107/S1600536806031606","","","0.71073","MoKα","","0.065","0.038","","","0.087","0.096","","","","","","0.97","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210210","21.6041","0.0008","9.1708","0.0003","12.1753","0.0004","90","","90","","90","","2412.25","0.14","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(1-n-butyl-3-methylimidazolium) tetrabromopalladate(II)","","- C16 H30 Br4 N4 Pd -","- C16 H30 Br4 N4 Pd -","- C64 H120 Br16 N16 Pd4 -","4","1","EZ2020","Chong-Min Zhong; Ya-Jie Zuo; Hua-Shu Jin; Tian-Chi Wang; Shuang-Quan Liu","Bis(1-<i>n</i>-butyl-3-methylimidazolium) tetrabromopalladate(II)","Acta Crystallographica Section E","2006","62","9","m2281","m2283","10.1107/S160053680603296X","","","0.71073","MoKα","","0.041","0.026","","","0.049","0.053","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210211","26.7998","0.0017","9.073","0.0005","10.7628","0.0006","90","","100.337","0.005","90","","2574.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis[5-(4-ethynylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexacyclopentene","","- C31 H18 F6 S2 -","- C31 H18 F6 S2 -","- C124 H72 F24 S8 -","4","1","EZ2021","Vijay Mahadevan Iyer; Helen Stoeckli-Evans; Peter Belser","A perfluorocyclopentene dithienylethene based molecular switch: 1,2-bis[5-(4-ethynylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopentene","Acta Crystallographica Section E","2006","62","9","o3942","o3943","10.1107/S1600536806032545","","","0.71073","MoKα","","0.06","0.048","","","0.123","0.129","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210212","15.49","0.003","11.021","0.002","6.8124","0.0014","90","","90","","90","","1163","0.4","295","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-Poly[[(2-methylimidazole)copper(II)]-μ-pyridine-2,6-dicarboxylato]","","- C11 H9 Cu N3 O4 -","- C11 H9 Cu N3 O4 -","- C44 H36 Cu4 N12 O16 -","4","1","EZ2022","Xiang, Jing; Mei, Ping; Li, Qing","<i>catena</i>-Poly[[(2-methylimidazole)copper(II)]-μ-pyridine-2,6-dicarboxylato]","Acta Crystallographica Section E","2006","62","9","m2380","m2382","10.1107/S1600536806034222","","","0.71073","MoKα","","0.061","0.056","","","0.133","0.136","","","","","","1.15","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210213","11.73","0.01","9.863","0.006","12.23","0.01","90","","109.07","0.02","90","","1337.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[μ-4,4'-bipyridine-bis[aquazinc(II)]]-di-μ- benzene-1,3-dicarboxylato] dihydrate]","","- C13 H12 N O6 Zn -","- C13 H12 N O6 Zn -","- C52 H48 N4 O24 Zn4 -","4","1","EZ2023","Ling-Yun Zhang; Xian-Zhong Sun","<i>catena</i>-Poly[[[μ-4,4'-bipyridine-bis[aquazinc(II)]]-di-μ-benzene-1,3-dicarboxylato] dihydrate]","Acta Crystallographica Section E","2006","62","9","m2363","m2365","10.1107/S1600536806033915","","","0.71073","MoKα","","0.137","0.072","","","0.18","0.216","","","","","","1.06","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210214","8.2673","0.0009","9.0198","0.0007","26.565","0.002","90","","90","","90","","1980.9","0.3","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Acetophenonaminoguanidine","2-(1-Phenylethylideneamino)guanidine","","- C9 H12 N4 -","- C9 H12 N4 -","- C72 H96 N32 -","8","1","EZ2024","Demir, Sibel; Dinçer, Muharrem; Sarıpınar, Emin","2-(1-Phenylethylideneamino)guanidine","Acta Crystallographica Section E","2006","62","9","o4194","o4195","10.1107/S160053680603399X","","","0.71073","MoKα","","0.089","0.049","","","0.107","0.125","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210215","10.2988","0.0013","17.092","0.002","14.2211","0.0017","90","","90.162","0.004","90","","2503.3","0.5","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-(Benzotriazol-1-yl)-5-ethyl-2,6-dimethyl-4-(3-nitrophenyl)- 1,4-dihydropyridine-3,5-dicarboxylate ethyl acetate hemisolvate","3-(Benzotriazol-1-yl)-5-ethyl-2,6-dimethyl-4-(3-nitrophenyl)- 1,4-dihydropyridine-3,5-dicarboxylate ethyl acetate hemisolvate","","- C25 H25 N5 O7 -","- C25 H25 N5 O7 -","- C100 H100 N20 O28 -","4","1","EZ2025","Sun, Feng-Xia; Fu, De-Cai; Yu, Yi-Feng","3-(Benzotriazol-1-yl) 5-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate ethyl acetate hemisolvate","Acta Crystallographica Section E","2006","62","9","o4207","o4208","10.1107/S1600536806033617","","","0.7107","MoKα","","0.06","0.044","","","0.109","0.12","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210216","5.495","0.001","10.594","0.002","11.589","0.003","71.42","0.02","82.24","0.02","76.1","0.02","619.5","0.2","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","5-(Anilinomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C26 H26 N2 O8 -","2","1","EZ2026","Vencato, Ivo; Cunha, Silvio; Ferrari, Jailton; Sabino, Jose R.","5-(Anilinomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2006","62","9","o4062","o4064","10.1107/S1600536806033046","","","1.5418","CuKα","","0.082","0.076","","","0.193","0.204","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210217","11.839","0.004","7.917","0.003","19.255","0.007","90","","105.658","0.006","90","","1737.8","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[3-Acetyl-5-(3,6-dichloropyridin-2-yl)-2,3-dihydro-1,3,4-oxadiazol- 2-yl]phenyl acetate","","- C17 H13 Cl2 N3 O4 -","- C17 H13 Cl2 N3 O4 -","- C68 H52 Cl8 N12 O16 -","4","1","EZ2027","Song, Qing-Bao; Zhang, Jie; Tiekink, Edward R. T.","2-[3-Acetyl-5-(3,6-dichloropyridin-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate","Acta Crystallographica Section E","2006","62","9","o4115","o4117","10.1107/S1600536806033605","","","0.7107","MoKα","","0.041","0.04","","","0.115","0.116","","","","","","1.16","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210218","8.3843","0.0006","9.1844","0.0006","10.1638","0.0007","90","","97.525","0.001","90","","775.92","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-exo-2-Hydroxy-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-exo-carboxylic acid","","- C8 H9 N O5 -","- C8 H9 N O5 -","- C32 H36 N4 O20 -","4","1","FB2008","Sadeghi-Khomami, Ali; Thomas, Neil R.; Wilson, Claire","(±)-<i>exo</i>-2-Hydroxy-5-oxo-4,8-dioxatricyclo[4.2.1.0^3,7^]nonane-9-<i>exo</i>-carboxylic acid","Acta Crystallographica Section E","2006","62","9","o3759","o3761","10.1107/S1600536806030649","","","0.71073","MoKα","","0.0366","0.0355","","","0.0952","0.0964","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210219","14.139","0.002","13.186","0.002","13.626","0.002","90","","115.424","0.003","90","","2294.4","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,6-bis(endo-p-toluenesulfonyloxymethyl)-bicyclo[2.2.1]hept-2-ene","endo-Bicyclo[2.2.1]hept-2-ene-5,6-dimethylene bis(p-toluenesulfonate)","","- C23 H26 O6 S2 -","- C23 H26 O6 S2 -","- C92 H104 O24 S8 -","4","1","FB2010","Xiao-Hong Ren; Lili Sun; Wu Li; Yu-Ping Guo; Fei Wang","<i>endo</i>-Bicyclo[2.2.1]hept-2-ene-5,6-dimethylene bis(<i>p</i>-toluenesulfonate)","Acta Crystallographica Section E","2006","62","9","o3660","o3661","10.1107/S1600536806029333","","","0.71073","MoKα","","0.1017","0.0448","","","0.103","0.1304","","","","","","0.992","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210220","10.284","0.012","10.56","0.013","13.545","0.016","79.155","0.017","84.521","0.017","65.523","0.014","1315","3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Iodo(1,10-phenanthroline)bis(pyrrolidine-1-dithiocarboxylato- κ^2^S,S')bismuth(III)","","- C22 H24 Bi I N4 S4 -","- C22 H24 Bi I N4 S4 -","- C44 H48 Bi2 I2 N8 S8 -","2","1","FI2004","Feng Li; Han-Dong Yin; Jun Zhai; Daqi Wang","Iodo(1,10-phenanthroline)bis(pyrrolidine-1-dithiocarboxylato-κ^2^<i>S</i>,<i>S</i>')bismuth(III)","Acta Crystallographica Section E","2006","62","9","m2041","m2042","10.1107/S1600536806029424","","","0.71073","MoKα","","0.0533","0.0373","","","0.0986","0.1085","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210221","13.444","0.007","8.377","0.004","22.512","0.013","90","","90","","90","","2535","2","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Piperazinium bis(pyridine-2,6-dicarboxylato)mercurate(II) hexahydrate","","- C18 H30 Hg N4 O14 -","- C18 H30 Hg N4 O14 -","- C72 H120 Hg4 N16 O56 -","4","0.5","FI2005","Aghabozorg, Hossein; Ghasemikhah, Pouya; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Sheshmani, Shabnam","Piperazinium bis(pyridine-2,6-dicarboxylato)mercurate(II) hexahydrate","Acta Crystallographica Section E","2006","62","9","m2269","m2271","10.1107/S1600536806032211","","","0.71073","MoKα","","0.0443","0.024","","","0.0553","0.0617","","","","","","0.971","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210222","8.4312","0.0005","14.1135","0.0007","14.7463","0.0007","90","","90","","90","","1754.72","0.16","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-Dichlorotetrakis(dimethylsulfide)ruthenium(II)","","- C8 H24 Cl2 Ru S4 -","- C8 H24 Cl2 Ru S4 -","- C32 H96 Cl8 Ru4 S16 -","4","0.5","FI2006","Abbasi, Alireza; Azizi, Fereshteh; Eriksson, Lars; Sandström, Magnus","<i>trans</i>-Dichlorotetrakis(dimethyl sulfide)ruthenium(II)","Acta Crystallographica Section E","2006","62","9","m2295","m2296","10.1107/S1600536806032867","","","0.71073","MoKα","","0.0495","0.0383","","","0.0796","0.0852","","","","","","1.123","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210223","11.572","0.0002","9.2793","0.0002","13.1937","0.0003","90","","90.5971","0.0008","90","","1416.66","0.05","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","3,4:5,6-Di-O-isopropylidene-3-C-hydroxymethyl-D-altrono-1,3'-lactone","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","2","FL2021","Parker, Samuel G.; Watkin, David J.; Simone, Michela I.; Fleet, George W. J.","3,4:5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-hydroxymethyl-<small>D</small>-altrono-1,3'-lactone","Acta Crystallographica Section E","2006","62","9","o3961","o3963","10.1107/S1600536806015881","","","0.71073","MoKα","","0.0352","0.0294","","0.0736","0.0697","0.0697","","","","","","0.9732","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210224","8.4677","0.0003","11.1826","0.0004","27.0427","0.001","90","","90","","90","","2560.7","0.16","20","2","20","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(+)-N,N'-dicamphorsulfonylpiperazine","(+)-N,N'-Bis[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1- yl)methylsulfonyl]piperazine","","- C24 H38 N2 O6 S2 -","- C24 H38 N2 O6 S2 -","- C96 H152 N8 O24 S8 -","4","1","FL2038","Małgorzata Ullrich; Anna Kozakiewicz; Mirosław Wełniak; Andrzej Wojtczak","(+)-<i>N</i>,<i>N</i>'-Bis[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methylsulfonyl]piperazine","Acta Crystallographica Section E","2006","62","9","o3750","o3751","10.1107/S1600536806028595","","","0.71073","MoKα","","0.0624","0.0476","","","0.1164","0.1237","","","","","","1.083","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210225","10.4869","0.0002","11.2536","0.0002","16.422","0.0002","90","","94.052","0.001","90","","1933.2","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-5-(phenylsulfonyl)perhydro-1,3-thiazolo[3,4-a]pyrrolo[4,5- c]pyrrole","","- C20 H21 Cl N2 O2 S2 -","- C20 H21 Cl N2 O2 S2 -","- C80 H84 Cl4 N8 O8 S8 -","4","1","FL2042","G. Senthil Kumar; K. Chinnakali; M. Poornachandran; R. Raghunathan; Hoong-Kun Fun","2-(4-Chlorophenyl)-5-(phenylsulfonyl)perhydro-1,3-thiazolo[3,4-<i>a</i>]pyrrolo[4,5-<i>c</i>]pyrrole","Acta Crystallographica Section E","2006","62","9","o3799","o3801","10.1107/S1600536806031072","","","0.71073","MoKα","","0.0348","0.0304","","","0.0774","0.0803","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210226","7.7141","0.0008","7.7252","0.0008","13.0299","0.0013","90","","93.403","0.002","90","","775.12","0.14","130","2","130","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","guanidinium pyrazine-2,3-dicarboxylate trihydrate","Bis(guanidinium) pyrazine-2,3-dicarboxylate trihydrate","","- C8 H20 N8 O7 -","- C8 H20 N8 O7 -","- C16 H40 N16 O14 -","2","0.5","FL2044","Graham Smith; Urs D. Wermuth; David J. Young; Jonathan M. White","Bis(guanidinium) pyrazine-2,3-dicarboxylate trihydrate","Acta Crystallographica Section E","2006","62","9","o3912","o3914","10.1107/S1600536806031047","","","0.71073","MoKα","","0.035","0.0311","","","0.0832","0.0851","","","","","","1.103","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210227","8.9672","0.0001","10.404","0.0001","10.6794","0.0001","88.311","0.001","72.555","0.001","83.761","0.001","944.871","0.017","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Methylphenyl)-5-(phenylsulfonyl)perhydro-1,3-thiazolo[3,4- a]pyrrolo[4,5-c]pyrrole","","- C21 H24 N2 O2 S2 -","- C21 H24 N2 O2 S2 -","- C42 H48 N4 O4 S4 -","2","1","FL2045","G. Senthil Kumar; K. Chinnakali; M. Poornachandran; R. Raghunathan; Hoong-Kun Fun","2-(4-Methylphenyl)-5-(phenylsulfonyl)perhydro-1,3-thiazolo[3,4-<i>a</i>]pyrrolo[4,5-<i>c</i>]pyrrole","Acta Crystallographica Section E","2006","62","9","o3802","o3804","10.1107/S1600536806031060","","","0.71073","MoKα","","0.0349","0.0311","","","0.0882","0.0909","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210228","8.5365","0.0007","20.0523","0.0018","10.6574","0.0009","90","","99.854","0.004","90","","1797.4","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 12b-allyl-1-hydroxy-3,6,7,12b-tetrahydro-4H-1,3-dioxolo[4,5-g]pyrido[2,1- a]isoquinoline-2-carboxylate","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","FL2046","Ya-Wen Wang; Yu Peng","Ethyl 12b-allyl-1-hydroxy-3,6,7,12b-tetrahydro-4<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]pyrido[2,1-<i>a</i>]isoquinoline-2-carboxylate","Acta Crystallographica Section E","2006","62","9","o3966","o3967","10.1107/S1600536806031977","","","0.71073","MoKα","","0.1525","0.0837","","","0.1585","0.1799","","","","","","1.162","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210229","20.336","0.004","7.0062","0.0014","14.748","0.003","90","","109.17","0.03","90","","1984.7","0.8","123","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Undecyl-4,7-diaza-1-azoniatricyclo[5.2.1.0^4,10^]decane iodide","","- C18 H36 I N3 -","- C18 H36 I N3 -","- C72 H144 I4 N12 -","4","1","FL2047","Battle, Andrew R.; Martin, Lisandra L.","1-Undecyl-4,7-diaza-1-azoniatricyclo[5.2.1.0^4,10^]decane iodide","Acta Crystallographica Section E","2006","62","9","o4089","o4091","10.1107/S1600536806033095","","","0.71073","MoKα","","","0.0248","","","","0.0507","","","","","","1.032","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210230","14.1028","0.0015","14.4948","0.0016","8.6701","0.001","90","","90","","90","","1772.3","0.3","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Methyl 5-(2-hydr­oxyethyl­carbamo­yl)-2,6-dimethyl-4-(3-nitrophen­yl)-1,4-dihydropyridine-3-carboxylate","","- C18 H21 N3 O6 -","- C18 H21 N3 O6 -","- C72 H84 N12 O24 -","4","1","FL2048","Sun, Feng-Xia; Ha, Jing; Fu, De-Cai; Yu, Yi-Feng","Methyl 5-[<i>N</i>-(2-hydroxyethyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","Acta Crystallographica Section E","2006","62","9","o4112","o4114","10.1107/S160053680603337X","","","0.7107","MoKα","","0.0413","0.0381","","","0.0995","0.1017","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210231","11.9247","0.0015","5.1952","0.0007","21.615","0.003","90","","96.962","0.003","90","","1329.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Benzoyl-3-(4-methylpyridin-2-yl)thiourea","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C56 H52 N12 O4 S4 -","4","1","GA2001","Yesilkaynak, Tuncay; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan","1-Benzoyl-3-(4-methylpyridin-2-yl)thiourea","Acta Crystallographica Section E","2006","62","9","o3934","o3935","10.1107/S1600536806032302","","","0.71073","MoKα","","0.083","0.0499","","","0.0993","0.1124","","","","","","0.877","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210232","7.908","0.002","9.935","0.003","12.188","0.003","79.132","0.004","86.569","0.005","71.716","0.004","892.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","13-(4-fluorophenyl)-12H-benzo[f]indeno[1,2-b]quinolin-12-one","","- C26 H14 F N O -","- C26 H14 F N O -","- C52 H28 F2 N2 O2 -","2","1","GD2002","Shu-Jiang Tu; Yan Zhang; Run-Hong Jia","13-(4-Fluorophenyl)-12<i>H</i>-benzo[<i>f</i>]indeno[1,2-<i>b</i>]quinolin-12-one","Acta Crystallographica Section E","2006","62","9","o3930","o3931","10.1107/S1600536806032442","","","0.71073","MoKα","","0.1179","0.0513","","","0.1151","0.1397","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210233","6.2459","0.0006","12.7698","0.0013","15.722","0.0016","111.771","0.001","90.32","0.001","95.176","0.001","1158.7","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[aquatris{3-(3-pyridyl)acrylato}europium(III)]","","- C24 H20 Eu N3 O7 -","- C24 H20 Eu N3 O7 -","- C48 H40 Eu2 N6 O14 -","2","1","GD2004","Chong-Bo Liu; Xu-liang Nie; Liang Ding; Ming-Yong Xie; Hui-Liang Wen","<i>catena</i>-Poly[[aqua[3-(3-pyridyl)acrylato]europium(III)]-di-μ-3-(3-pyridyl)acrylato]","Acta Crystallographica Section E","2006","62","9","m2319","m2320","10.1107/S1600536806033459","","","0.71073","MoKα","","0.0262","0.0225","","","0.0459","0.0476","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210234","5.905","0.001","19.84","0.003","14.283","0.002","90","","97.516","0.003","90","","1659","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[3-(2-Hydroxyphenyl)-5-phenyl-4,5-dihydropyrazol-1-yl](pyridin-3-yl)methanone","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","GH2004","Nie, Aihua; Ghosh, Sutapa; Huang, Ziwei","[3-(2-Hydroxyphenyl)-5-phenyl-4,5-dihydropyrazol-1-yl](pyridin-3-yl)methanone","Acta Crystallographica Section E","2006","62","9","o3776","o3777","10.1107/S1600536806029576","","","0.71073","MoKα","","0.072","0.0441","","","0.0975","0.107","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210235","12.135","0.006","10.537","0.005","13.705","0.007","90","","109.989","0.009","90","","1646.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-4-(2,2,2-trifluoroethoxy)pyrimidine","","- C6 H6 F3 N3 O -","- C6 H6 F3 N3 O -","- C48 H48 F24 N24 O8 -","8","2","GH2007","Fei-Fei Sun; Ning Ma; Zheng-Ming Li; Hai-Bin Song","2-Amino-4-(2,2,2-trifluoroethoxy)pyrimidine","Acta Crystallographica Section E","2006","62","9","o3864","o3865","10.1107/S1600536806029564","","","0.71073","MoKα","","0.1052","0.0522","","","0.1257","0.1532","","","","","","1.011","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210236","36.8818","0.0007","11.2016","0.0002","22.3275","0.0004","90","","97.235","0.002","90","","9150.8","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Diazido[bis(diphenylphosphino)methane-κ~2~P,P']ruthenium(II) dichloromethane 0.42-solvate","","- C50.42 H44.83 Cl0.83 N6 P4 Ru -","- C50.417 H44.834 Cl0.834 N6 P4 Ru -","- C403.336 H358.672 Cl6.672 N48 P32 Ru8 -","8","1","GK2019","Luca Russo; Kalle Nättinen; Viatcheslav Vertlib; João Rodrigues; Kari Rissanen","<i>cis</i>-Diazido[bis(diphenylphosphino)methane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II) dichloromethane 0.42-solvate","Acta Crystallographica Section E","2006","62","9","m2052","m2053","10.1107/S160053680602900X","","","0.71073","MoKα","","0.0856","0.062","","","0.1482","0.1624","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210237","23.388","0.003","9.4054","0.001","16.3442","0.0011","90","","107.161","0.007","90","","3435.2","0.6","295","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E,E)-1,3-bis[9,10-dihydro-9-nitro-10-(trinitromethyl)-9-anthryl]propane","","- C33 H24 N8 O16 -","- C33 H24 N8 O16 -","- C132 H96 N32 O64 -","4","0.5","GK2020","Arslan, Mustafa; Asker, Erol; Masnovi, John; Baker, Ronald J.","(<i>E</i>,<i>E</i>)-1,3-Bis[9,10-dihydro-9-nitro-10-(trinitromethyl)-9-anthryl]propane","Acta Crystallographica Section E","2006","62","9","o3650","o3651","10.1107/S1600536806028698","","","0.71073","MoKα","","0.1771","0.0613","","","0.113","0.1404","","","","","","1.109","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210238","8.6317","0.0017","12.595","0.003","14.491","0.003","111.07","0.03","95.34","0.03","103.22","0.03","1404.2","0.7","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Aquabis(2,4-dichlorophenoxyacetato)(1,10-phenanthroline-κ^2^N,N')copper(II)","","- C28 H20 Cl4 Cu N2 O7 -","- C28 H20 Cl4 Cu N2 O7 -","- C56 H40 Cl8 Cu2 N4 O14 -","2","1","GK2021","Liu, Ji-Wei; Zhu, Bin; Tian, Ye; Gu, Chang-Sheng","Aquabis(2,4-dichlorophenoxyacetato)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section E","2006","62","9","m2030","m2032","10.1107/S1600536806029163","","","0.71073","MoKα","","0.0584","0.0412","","","0.1006","0.1116","","","","","","1.041","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210239","10.6504","0.0004","17.6351","0.0004","10.9644","0.0004","90","","92.0375","0.0016","90","","2058.04","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","butane-1,4-diammonium decavanadate(V) hexahydrate","","- C12 H54 N6 O34 V10 -","- C12 H54 N6 O34 V10 -","- C24 H108 N12 O68 V20 -","2","0.5","GK2024","Rakovský, Erik; Gyepes, Robert","Butane-1,4-diammonium decavanadate(V) hexahydrate","Acta Crystallographica Section E","2006","62","9","m2108","m2110","10.1107/S1600536806030480","","","0.7107","MoKα","","0.0578","0.0367","","","0.0804","0.0903","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210240","10.5199","0.0011","17.0195","0.0013","4.2415","0.0008","90","","90","","90","","759.41","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","HB2058","Hansen, Lars Kr.; Perlovich, German L.; Bauer-Brandl, Annette","<i>N</i>-(3-Hydroxyphenyl)acetamide","Acta Crystallographica Section E","2006","62","9","o3627","o3628","10.1107/S1600536806025785","","","0.71073","MoKα","","0.0468","0.0323","","","0.0865","0.0929","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210241","15.528","0.004","12.446","0.003","17.672","0.004","90","","92.565","0.004","90","","3411.9","1.4","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,12-Dihydroxy-2,6,7,13-tetramethoxyflavone","","- C19 H18 O8 -","- C19 H18 O8 -","- C152 H144 O64 -","8","1","HB2091","Zhao-Ling Meng; Yuan-Ying Qi; Ren-Min Liu; Ai-Ling Sun; Da-Qi Wang","5,12-Dihydroxy-2,6,7,13-tetramethoxyflavone","Acta Crystallographica Section E","2006","62","9","o3831","o3832","10.1107/S1600536806031175","","","0.71073","MoKα","","0.1033","0.0459","","","0.1107","0.1445","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210242","16.121","0.005","5.4451","0.0017","13.478","0.004","90","","92.727","0.006","90","","1181.8","0.6","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(4-ethylcyclohexyl)phenol","","- C14 H20 O -","- C14 H20 O -","- C56 H80 O4 -","4","1","HB2102","Wang, He-Fang; Guo, Yong; Zhang, Hong; Zeng, Tao; Li, Hong-Bing","4-(4-Ethylcyclohexyl)phenol","Acta Crystallographica Section E","2006","62","9","o3721","o3722","10.1107/S1600536806030200","","","0.71073","MoKα","","0.0953","0.0438","","","0.1007","0.1271","","","","","","1.011","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210243","22.98","0.001","7.8559","0.0003","26.5747","0.0011","90","","111.203","0.002","90","","4472.7","0.3","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Hexaamminecobalt(III)‒4-hydroxybenzenesulfonate‒chloride‒water (3/8/1/13)","","- C48 H120 Cl Co3 N18 O45 S8 -","- C48 H120 Cl Co3 N18 O45 S8 -","- C96 H240 Cl2 Co6 N36 O90 S16 -","2","0.5","HB2105","Sharma, Raj Pal; Bala, Ritu; Sharma, Rajni; Bond, Andrew D.","Hexaamminecobalt(III)‒4-hydroxybenzenesulfonate‒chloride‒water (3/8/1/13)","Acta Crystallographica Section E","2006","62","9","m2113","m2115","10.1107/S1600536806029989","","","0.71073","MoKα","","0.1046","0.0689","","","0.1535","0.165","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210244","7.9702","0.0005","12.972","0.0007","12.5449","0.0009","90","","95.928","0.008","90","","1290.07","0.14","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diiodobis(pyridazine-κN)zinc(II)","","- C8 H8 I2 N4 Zn -","- C8 H8 I2 N4 Zn -","- C32 H32 I8 N16 Zn4 -","4","1","HB2107","Bhosekar, Gaurav; Jeß, Inke; Näther, Christian","Diiodobis(pyridazine-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2006","62","9","m2073","m2074","10.1107/S1600536806030170","","","0.71073","MoKα","","0.0441","0.0278","","","0.0606","0.0653","","","","","","0.988","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210245","10.7254","0.0002","13.0587","0.0003","10.2122","0.0002","90","","111.609","0.001","90","","1329.79","0.05","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R)-6,9,15,18,21-Pentaazapentacyclo[12.7.0.0^1,18^.0^2,7^.0^8,13^]henicosa- 2,4,6,8(13),9,11,14-heptaene","","- C16 H15 N5 -","- C16 H15 N5 -","- C64 H60 N20 -","4","1","HB2108","Lin, Long; Qiu, Yong-Cai; Zeng, Rong-Hua; Wu, Jian-Zhong","(1R)-6,9,15,18,21-Pentaazapentacyclo[12.7.0.0^1,18^.0^2,7^.0^8,13^]henicosa-2,4,6,8(13),9,11,14-heptaene","Acta Crystallographica Section E","2006","62","9","o3739","o3741","10.1107/S1600536806030558","","","0.71073","MoKα","","0.0473","0.0375","","","0.1085","0.117","","","","","","1.062","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2210246","8.0205","0.0007","13.2884","0.0012","14.9438","0.0014","90","","98.138","0.008","90","","1576.7","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexakis(1-methylimidazole-κN^3^)iron(II) dichloride dihydrate","","- C24 H40 Cl2 Fe N12 O2 -","- C24 H40 Cl2 Fe N12 O2 -","- C48 H80 Cl4 Fe2 N24 O4 -","2","0.5","HB2110","Aparici Plaza, Luis; Baranowska, Katarzyna; Becker, Barbara","Hexakis(1-methylimidazole-κ<i>N</i>^3^)iron(II) dichloride dihydrate","Acta Crystallographica Section E","2006","62","9","m2077","m2079","10.1107/S160053680603042X","","","0.71073","MoKα","","0.0366","0.0346","","","0.0863","0.0879","","","","","","1.085","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210247","14.556","0.005","11.153","0.005","27.617","0.005","90","","93.514","0.005","90","","4475","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ethyl pamoate","","- C27 H24 O6 -","- C27 H24 O6 -","- C216 H192 O48 -","8","1","HB2111","Ying-Ying Liu; Jian-Fang Ma; Yun-Peng Xie","Ethyl pamoate","Acta Crystallographica Section E","2006","62","9","o3786","o3787","10.1107/S1600536806030923","","","0.71069","MoKα","","0.0651","0.0452","","","0.1077","0.1195","","","","","","1.014","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2210248","10.031","0.002","8.7863","0.0018","10.07","0.002","90","","90","","90","","887.5","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Methyl N-cyclohexylcarbamate","","- C8 H15 N O2 -","- C8 H15 N O2 -","- C32 H60 N4 O8 -","4","1","HB2112","Chen, Ying; Zhang, Haitao; Zhou, Lina","Methyl <i>N</i>-cyclohexylcarbamate","Acta Crystallographica Section E","2006","62","9","o3757","o3758","10.1107/S1600536806030820","","","0.71073","MoKα","","0.0445","0.0376","","","0.101","0.1052","","","","","","1.159","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210249","25.43","0.003","10.7493","0.0019","7.748","0.0012","90","","104.715","0.012","90","","2048.5","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[-(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')lead(II)]-di-μ- isonicotintato-κ^4^O:O']","","- C18 H14 N6 O4 Pb S2 -","- C18 H14 N6 O4 Pb S2 -","- C72 H56 N24 O16 Pb4 S8 -","4","0.5","HB2113","Bing-Xin Liu; Jing-Jing Nie; Duan-Jun Xu","<i>catena</i>-Poly[(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')lead(II)]-di-μ-isonicotintato-κ^4^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","9","m2122","m2124","10.1107/S1600536806030984","","","0.71073","MoKα","","0.029","0.026","","","0.059","0.06","","","","","","1.069","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210250","5.802","0.005","6.144","0.006","12.473","0.007","81.72","0.04","83.78","0.04","70.31","0.04","413.4","0.6","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis(6-chloropyridin-3-ylmethyl)piperazine","","- C16 H18 Cl2 N4 -","- C16 H18 Cl2 N4 -","- C16 H18 Cl2 N4 -","1","0.5","HB2114","Fen-Xiang Jiang; Shang Shan; Jie Yan","1,4-Bis(6-chloropyridin-3-ylmethyl)piperazine","Acta Crystallographica Section E","2006","62","9","o3842","o3843","10.1107/S1600536806031187","","","0.71073","MoKα","","0.049","0.041","","","0.129","0.144","","","","","","1.207","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210251","16.313","0.005","9.74","0.002","17.838","0.005","90","","97.605","0.012","90","","2809.3","1.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(benzimidazole-κN)bis(3,5-dihydroxybenzoato-κO)copper(II) trihydrate","","- C28 H28 Cu N4 O11 -","- C28 H28 Cu N4 O11 -","- C112 H112 Cu4 N16 O44 -","4","1","HB2116","Xuan Huang; Li-Ping Xiao; Duan-Jun Xu","Bis(benzimidazole-κ<i>N</i>)bis(3,5-dihydroxybenzoato-κ<i>O</i>)copper(II) trihydrate","Acta Crystallographica Section E","2006","62","9","m2246","m2248","10.1107/S1600536806032417","","","0.71075","MoKα","","0.065","0.043","","","0.096","0.105","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210252","8.1865","0.0013","20.9285","0.0016","28.304","0.002","90","","90","","90","","4849.4","0.9","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H26 As N5 O10 -","- C20 H26 As N5 O10 -","- C160 H208 As8 N40 O80 -","8","1","HB2119","Tian-Tian Pan; Bing-Xin Liu; Duan-Jun Xu","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidinium 4-hydroxy-3-nitrophenyl-arsonate monohydrate","Acta Crystallographica Section E","2006","62","9","m2198","m2199","10.1107/S1600536806032090","","","0.71073","MoKα","","0.066","0.057","","","0.115","0.119","","","","","","1.212","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2210253","9.7562","0.0001","9.9711","0.0001","10.2908","0.0001","78.99","0.001","77.066","0.001","70.622","0.001","912.971","0.017","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[ethyldiphenyltin(IV)]-μ-isonicotinato-κ^2^O:N']","","- C20 H19 N O2 Sn -","- C20 H19 N O2 Sn -","- C40 H38 N2 O4 Sn2 -","2","1","HB2120","Amini, Mostafa M.; Azadmeher, Amirreza; Ng, Seik Weng","<i>catena</i>-Poly[[ethyldiphenyltin(IV)]-μ-isonicotinato-κ^2^<i>O</i>:<i>N</i>']","Acta Crystallographica Section E","2006","62","9","m2293","m2294","10.1107/S1600536806032958","","","0.71073","MoKα","","0.03","0.028","","","0.08","0.089","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210254","18.987","0.001","11.5384","0.0007","19.468","0.001","90","","115.807","0.001","90","","3839.7","0.4","148.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[N,N'-bis(trimethylsilyl)ferrocene-1,1'-diaminato]uranium(IV)","","- C32 H52 Fe2 N4 Si4 U -","- C32 H52 Fe2 N4 Si4 U -","- C128 H208 Fe8 N16 Si16 U4 -","4","0.5","HB2121","Westmoreland, Ian; Arnold, John","Bis[<i>N</i>,<i>N</i>'-bis(trimethylsilyl)ferrocene-1,1'-diaminato]uranium(IV)","Acta Crystallographica Section E","2006","62","9","m2303","m2304","10.1107/S1600536806033198","","","0.7107","MoKα","","0.0195","0.0166","","0.0232","","0.0226","","","","","","1.049","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210255","15.5353","0.0005","12.4493","0.0003","17.6655","0.0003","90","","92.424","0.002","90","","3413.51","0.15","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","5,3'-Dihydroxy-3,6,7,4'-tetramethoxyflavone","5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one","","- C19 H18 O8 -","- C19 H18 O8 -","- C152 H144 O64 -","8","1","HB2123","Asker, Erol; Akin, Sebahat; Hökelek, Tuncer","5,3'-Dihydroxy-3,6,7,4'-tetramethoxyflavone","Acta Crystallographica Section E","2006","62","9","o4159","o4161","10.1107/S1600536806033630","","","1.54184","CuKα","","0.1267","0.094","","","0.1891","0.2155","","","","","","1.101","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210256","8.603","0.0017","12.235","0.002","20.001","0.004","90","","90","","90","","2105.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-1,6,7,8,9,10,12,13,14, 15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene-3,11-dione","","- C22 H31 Br O5 -","- C22 H31 Br O5 -","- C88 H124 Br4 O20 -","4","1","HB2124","Zhang Haitao; Nie, Qiang; Chen, Ying; Wang, Jingkang; Zhou,Lina","16β-Bromo-17α-hydroxypregn-4-ene-3,11,20-trione methanol solvate","Acta Crystallographica Section E","2006","62","9","o4075","o4077","10.1107/S1600536806033423","","","0.71073","MoKα","","0.0452","0.0356","","","0.0768","0.0812","","","","","","0.967","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210257","7.527","0.0008","5.9364","0.0004","37.576","0.004","90","","92.046","0.008","90","","1677.9","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","HB2125","Yathirajan, H.S.; Sarojini, B.K.; Bindya, S.; Narayana, B.; Bolte, Michael","3-(6-Methoxy-2-naphthyl)-1-(2-naphthyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o4046","o4047","10.1107/S160053680603354X","","","0.71073","MoKα","","0.0437","0.0363","","","0.0984","0.1019","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210258","5.224","0.0005","9.3265","0.0014","14.8968","0.0016","90","","95.622","0.009","90","","722.31","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H13 Br O3 S -","- C15 H13 Br O3 S -","- C30 H26 Br2 O6 S2 -","2","1","HB2128","Yathirajan, H.S.; Sarojini, B.K.; Narayana, B.; Bindya, S; Bolte, Michael","(2<i>E</i>)-1-(3-Bromo-2-thienyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o4048","o4049","10.1107/S1600536806033563","","","0.71073","MoKα","","0.0692","0.0666","","","0.1774","0.1809","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210259","5.9486","0.0008","24.227","0.003","4.9042","0.0006","90","","90","","90","","706.78","0.16","292","2","292","2","","","","","","","","5","P n a 21","P 2c -2n","33","","poly[μ-2-aminobenzoato-silver(I)]","","- C7 H6 Ag N O2 -","- C7 H6 Ag N O2 -","- C28 H24 Ag4 N4 O8 -","4","1","HB2130","Hu, Ren-Zhi; Cheng, Kui; Ai, Li","An orthorhombic polymorph of poly[μ-2-aminobenzoato-silver(I)]","Acta Crystallographica Section E","2006","62","9","m2386","m2388","10.1107/S160053680603409X","","","0.71073","MoKα","","0.0449","0.0434","","","0.1092","0.1103","","","","","","1.099","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210260","13.52","0.003","18.127","0.004","26.501","0.005","90","","90","","90","","6495","2","292","3","292","3","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","poly[tri-μ-azido-μ-di-2-pyridyldiazene-dicopper(I,II)]","","- C10 H8 Cu2 N13 -","- C10 H8 Cu2 N13 -","- C160 H128 Cu32 N208 -","16","0.5","HG2048","Yu, Ming-Ming; Kou, Hui-Zhong; Ni, Zhong-Hai; Ge, Chun-Hua; Cui, Ai-Li","A three-dimensional polymeric mixed-valence copper complex: poly[tri-μ-azido-μ-di-2-pyridyldiazene-dicopper(I,II)]","Acta Crystallographica Section E","2006","62","9","m2050","m2051","10.1107/S1600536806028613","","","0.71073","MoKα","","0.0762","0.0735","","","0.1867","0.1887","","","","","","1.241","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210261","6.7242","0.0008","14.031","0.001","17.513","0.001","90","","90.891","0.009","90","","1652.1","0.2","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-n-Propyl-N-(8-quinolyl)benzenesulfonamide","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C72 H72 N8 O8 S4 -","4","1","HG2066","Silva, Luiz Everson da; Joussef, Antonio Carlos; Silva, Luciano Luiz; Foro, Sabine; Schmidt, Boris","4-<i>n</i>-Propyl-<i>N</i>-(8-quinolyl)benzenesulfonamide","Acta Crystallographica Section E","2006","62","9","o3606","o3607","10.1107/S1600536806028820","","","1.5418","CuKα","","0.0594","0.0444","","","0.1248","0.1325","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210262","5.353","0.001","10.872","0.002","17.725","0.003","90","","96.16","0.004","90","","1025.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Acetaldehyde 2,4-dinitrophenylhydrazone","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C32 H32 N16 O16 -","4","1","HG2070","Yin, Zhi-Gang; Qian, Heng-Yu; Jia, Jia; Liu, Sheng-Min; Feng, Ling-Qin","Acetaldehyde 2,4-dinitrophenylhydrazone","Acta Crystallographica Section E","2006","62","9","o3625","o3626","10.1107/S160053680602856X","","","0.71073","MoKα","","0.1116","0.0417","","","0.09","0.1095","","","","","","0.821","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210263","6.8178","0.0007","7.4015","0.0008","8.5079","0.0009","104.775","0.002","90.733","0.002","111.497","0.002","383.55","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[di-μ~2~-aqua-μ-pyrazole-3,5-dicarboxylato-copper(II)]","","- C5 H6 Cu N2 O6 -","- C5 H6 Cu N2 O6 -","- C10 H12 Cu2 N4 O12 -","2","1","HG2073","Han, Zheng-Bo; Ma, Yong","Poly[di-μ~2~-aqua-μ-pyrazole-3,5-dicarboxylato-copper(II)]","Acta Crystallographica Section E","2006","62","9","m2236","m2237","10.1107/S1600536806031795","","","0.71073","MoKα","","0.0311","0.0299","","","0.0772","0.0779","","","","","","1.125","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210264","23.4478","0.0003","10.0971","0.0002","15.2847","0.0002","90","","101.518","0.001","90","","3545.85","0.1","123","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4-Bromophenyl)(5-dimethylamino-1,1-dioxo-2-phenyl-1,2-dihydro- 1λ^6^,2,4,6-thiatriazin-3-yl)methanone","","- C17 H15 Br N4 O3 S -","- C17 H15 Br N4 O3 S -","- C136 H120 Br8 N32 O24 S8 -","8","1","HG2077","Duggan, Peter J.; Forsyth, Craig M.; Liepa, Andris J.; Tranberg, C. Elisabet; Warden, Andrew C.","(4-Bromophenyl)(5-dimethylamino-1,1-dioxo-2-phenyl-1,2-dihydro-1λ^6^,2,4,6-thiatriazin-3-yl)methanone","Acta Crystallographica Section E","2006","62","9","o3794","o3796","10.1107/S1600536806030881","","","0.71073","MoKα","","","0.0345","","","","0.0866","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210265","10.755","0.001","11.544","0.001","13.229","0.001","90","","99.31","0.02","90","","1620.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Azido{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}zinc(II)","","- C13 H17 Cl2 N5 O Zn -","- C13 H17 Cl2 N5 O Zn -","- C52 H68 Cl8 N20 O4 Zn4 -","4","1","HG2078","Wang, Qing; Fang, Xiao-Niu","Azido{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2006","62","9","m2043","m2044","10.1107/S1600536806029291","","","0.71073","MoKα","","0.0464","0.0387","","","0.1004","0.1055","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210266","18.277","0.004","7.281","0.002","11.303","0.002","90","","96.84","0.02","90","","1493.4","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[μ-3-(4-carboxylatophenoxy)propionato-κ^2^O:O']bis[tetraaquacobalt(II)] tetrahydrate","","- C20 H40 Co2 O22 -","- C20 H40.04 Co2 O22.02 -","- C40 H80.08 Co4 O44.04 -","2","0.5","HG2081","Xiao, Ying-Hui; Gao, Shan; Ng, Seik Weng","Bis[μ-3-(4-carboxylatophenoxy)propionato-κ^2^<i>O</i>:<i>O</i>']bis[tetraaquacobalt(II)] tetrahydrate","Acta Crystallographica Section E","2006","62","9","m2274","m2276","10.1107/S1600536806032612","","","0.71073","MoKα","","0.07","0.047","","","0.162","0.173","","","","","","1.15","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2210267","9.735","0.002","9.428","0.002","19.035","0.005","90","","94.797","0.007","90","","1740.9","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[bis(O,O'-diisobutyl dithiophosphato-κ^2^S,S')zinc(II)]- μ-1,2-di-4-pyridylethylene-κ^2^N:N']","","- C28 H46 N2 O4 P2 S4 Zn -","- C28 H46 N2 O4 P2 S4 Zn -","- C56 H92 N4 O8 P4 S8 Zn2 -","2","0.5","HG2082","Welte, William B.; Tiekink, Edward R. T.","<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-diisobutyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')zinc(II)]-μ-1,2-di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2006","62","9","m2070","m2072","10.1107/S1600536806029588","","","0.7107","MoKα","","0.0391","0.0367","","","0.0922","0.0944","","","","","","1.1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210268","11.912","0.001","5.5402","0.0008","11.895","0.001","90","","93.47","0.01","90","","783.57","0.15","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(benzylamino)benzene","","- C20 H20 N2 -","- C20 H20 N2 -","- C40 H40 N4 -","2","0.5","HG2087","Ge, Wen-Zhong; Ng, Seik Weng","1,4-Bis(benzylamino)benzene","Acta Crystallographica Section E","2006","62","9","o3784","o3785","10.1107/S1600536806030819","","","0.71073","MoKα","","0.052","0.039","","","0.097","0.105","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210269","7.1485","0.0009","8.802","0.001","12.853","0.0016","79.102","0.009","76.787","0.01","81.645","0.01","768.7","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorophenyl)-3-(2,6-dichlorobenzoyl)thiourea","","- C14 H9 Cl3 N2 O S -","- C14 H9 Cl3 N2 O S -","- C28 H18 Cl6 N4 O2 S2 -","2","1","HG2088","Khawar Rauf, M.; Badshah,Amin; Bolte, Michael","1-(4-Chlorophenyl)-3-(2,6-dichlorobenzoyl)thiourea","Acta Crystallographica Section E","2006","62","9","o3859","o3861","10.1107/S1600536806030790","","","0.71073","MoKα","","0.0346","0.0317","","","0.0829","0.0845","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210270","19.308","0.001","6.949","0.002","11.169","0.002","90","","90","","90","","1498.6","0.5","291","2","291","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","{2,4-Dichloro-6-[2- (dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II)","","- C12 H13 Cl2 N3 Ni O S -","- C12 H13 Cl2 N3 Ni O S -","- C48 H52 Cl8 N12 Ni4 O4 S4 -","4","0.5","HG2089","Yu-Liang Zhang","{2,4-Dichloro-6-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II)","Acta Crystallographica Section E","2006","62","9","m2111","m2112","10.1107/S1600536806030789","","","0.71073","MoKα","","0.0605","0.041","","","0.0913","0.0989","","","","","","1.038","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210271","8.617","0.001","15.73","0.002","9.285","0.001","90","","101.219","0.002","90","","1234.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N'-[1-(5-Chloro-2-hydroxyphenyl)methylidene]isonicotinohydrazide","","- C13 H10 Cl N3 O2 -","- C13 H10 Cl N3 O2 -","- C52 H40 Cl4 N12 O8 -","4","1","HG2090","De-Suo Yang","<i>N</i>'-[1-(5-Chloro-2-hydroxyphenyl)methylidene]isonicotinohydrazide","Acta Crystallographica Section E","2006","62","9","o3755","o3756","10.1107/S1600536806030777","","","0.71073","MoKα","","0.0693","0.0445","","","0.1043","0.1169","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210272","8.563","0.001","15.875","0.002","9.368","0.002","90","","100.448","0.002","90","","1252.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N'-[1-(5-Bromo-2-hydroxyphenyl)methylidene]isonicotinohydrazide","","- C13 H10 Br N3 O2 -","- C13 H10 Br N3 O2 -","- C52 H40 Br4 N12 O8 -","4","1","HG2091","De-Suo Yang","<i>N</i>'-[1-(5-Bromo-2-hydroxyphenyl)methylidene]isonicotinohydrazide","Acta Crystallographica Section E","2006","62","9","o3792","o3793","10.1107/S1600536806030765","","","0.71073","MoKα","","0.0753","0.0407","","","0.0834","0.096","","","","","","1.024","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210273","10.5859","0.0001","12.6355","0.0001","9.6041","0.0001","90","","90","","90","","1284.63","0.02","85","2","85","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(4-Pyridylaminocarbonyl)ferrocene","","- C16 H14 Fe N2 O -","- C16 H14 Fe N2 O -","- C64 H56 Fe4 N8 O4 -","4","1","HG2092","Boyd, Peter D.W.; Paauwe, John D.","(4-Pyridylaminocarbonyl)ferrocene","Acta Crystallographica Section E","2006","62","9","m2153","m2155","10.1107/S1600536806031084","","","0.71073","MoKα","","0.0208","0.0188","","","0.0465","0.0473","","","","","","1.07","","","","has coordinates,has Fobs","209313","2020-10-21","18:00:00",""
"2210274","7.119","0.002","16.922","0.004","20.671","0.005","90","","90","","90","","2490.2","1.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[2-(Methylammonio)ethyliminiomethyl]-4-nitrophenolate nitrate","","- C10 H14 N4 O6 -","- C10 H14 N4 O6 -","- C80 H112 N32 O48 -","8","1","HG2094","Zhao, Li-Fang","2-[2-(Methylammonio)ethyliminiomethyl]-4-nitrophenolate nitrate","Acta Crystallographica Section E","2006","62","9","o3970","o3971","10.1107/S1600536806032594","","","0.71073","MoKα","","0.1365","0.0707","","","0.1389","0.1643","","","","","","1.019","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210275","12.495","0.003","18.672","0.004","10.549","0.002","90","","90","","90","","2461.2","0.9","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","Bis{N-(2-hydroxybenzoyl)-N'-[1-(2-pyridyl)ethylidene]hydrazinato}nickel(II)","","- C28 H24 N6 Ni O4 -","- C28 H24 N6 Ni O4 -","- C112 H96 N24 Ni4 O16 -","4","","HG2095","Dang, Dong-Bin; Bai, Yan; Duan, Chun-Ying","Bis{<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene]hydrazinato}nickel(II)","Acta Crystallographica Section E","2006","62","9","m2290","m2292","10.1107/S1600536806032624","","","0.71073","MoKα","","0.0342","0.0296","","","0.0625","0.0636","","","","","","1.015","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210276","7.537","0.0015","10.538","0.002","11.38","0.002","79.86","0.03","78.03","0.03","84.7","0.03","868.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-{5-[3-(Trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}- 2-phenylthiazolidin-4-one","","- C18 H12 F3 N3 O S2 -","- C18 H12 F3 N3 O S2 -","- C36 H24 F6 N6 O2 S4 -","2","1","HG2096","Wu, Feng; Wan, Rong; Han, Feng; Wang, Jin-tang","2-Phenyl-3-{5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}thiazolidin-4-one","Acta Crystallographica Section E","2006","62","9","o4072","o4074","10.1107/S1600536806033149","","","0.71073","MoKα","","0.0507","0.0396","","","0.1183","0.1309","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210277","16.966","0.003","13.406","0.002","10.3516","0.0017","90","","118.795","0.003","90","","2063.3","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Piperazinium bis(6-carboxypyridine-2-carboxylate) trihydrate","","- C18 H26 N4 O11 -","- C18 H26 N4 O11 -","- C72 H104 N16 O44 -","4","0.5","HK2087","Sheshmani, Shabnam; Ghadermazi, Mohammad; Aghabozorg, Hossein","Piperazinium bis(6-carboxypyridine-2-carboxylate) trihydrate","Acta Crystallographica Section E","2006","62","9","o3620","o3622","10.1107/S1600536806029011","","","0.71073","MoKα","","0.0674","0.0582","","","0.1763","0.1865","","","","","","0.985","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210278","14.6291","0.0005","19.9859","0.0007","7.5743","0.0003","90","","105.529","0.001","90","","2133.7","0.13","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline)(tetrahydroborato)copper(I)","","- C26 H24 B Cu N2 -","- C26 H24 B Cu N2 -","- C104 H96 B4 Cu4 N8 -","4","1","HK2089","Moncol, Jan; Gembicky, Milan; Coppens, Philip","(2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline)(tetrahydroborato)copper(I): a redetermination at 90 K","Acta Crystallographica Section E","2006","62","9","m2177","m2179","10.1107/S1600536806031308","","","0.71073","MoKα","","0.0305","0.0258","","","0.059","0.0603","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210279","14.7149","0.0016","14.7149","0.0016","13.229","0.003","90","","90","","120","","2480.7","0.7","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Tris(3,3'-diamino-2,2'-bipyridine)manganese(II) dinitrate","","- C30 H30 Mn N14 O6 -","- C30 H30 Mn N14 O6 -","- C90 H90 Mn3 N42 O18 -","3","0.166667","HK2090","Shi, Jing-Min; Chen, Ju-Na; Liu, Lian-Dong","Tris(3,3'-diamino-2,2'-bipyridine)manganese(II) dinitrate","Acta Crystallographica Section E","2006","62","9","m2151","m2152","10.1107/S1600536806031114","","","0.71073","MoKα","","0.0423","0.0375","","","0.087","0.0891","","","","","","1.114","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210280","7.9113","0.0016","13.257","0.003","21.208","0.004","90","","90.414","0.004","90","","2224.2","0.8","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Piperazinediium bis(pyridine-2,6-dicarboxylato)cuprate(II) tetrahydrate","","- C18 H26 Cu N4 O12 -","- C18 H26 Cu N4 O12 -","- C72 H104 Cu4 N16 O48 -","4","1","HK2092","Aghabozorg, Hossein; Zabihi, Fatemeh; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Sheshmani, Shabnam","Piperazinediium bis(pyridine-2,6-dicarboxylato)cuprate(II) tetrahydrate","Acta Crystallographica Section E","2006","62","9","m2091","m2093","10.1107/S1600536806030297","","","0.71073","MoKα","","0.042","0.033","","","0.092","0.0969","","","","","","1.021","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210281","14.0515","0.0016","5.0488","0.0006","20.118","0.002","90","","90.706","0.002","90","","1427.1","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methoxy-N-[3-(2-nitrophenyl)allylidene]aniline","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","HK2093","Xiao-Yan Yang; Ying Li; Xiao-Lian He; Xue-Mei Li; Shu-Sheng Zhang","2-Methoxy-<i>N</i>-[3-(2-nitrophenyl)allylidene]aniline","Acta Crystallographica Section E","2006","62","9","o3643","o3644","10.1107/S1600536806029217","","","0.71073","MoKα","","0.0613","0.0458","","","0.1174","0.1283","","","","","","1.035","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210282","14.351","0.005","6.105","0.002","9.639","0.004","90","","91.798","0.006","90","","844.1","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Di-1-naphthyloxamide","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C44 H32 N4 O4 -","2","0.5","HK2094","Shu-Sheng Zhang; Li-Li Xu; Sai Bi; Xue-Mei Li; Yong-Hong Wen","<i>N</i>,<i>N</i>'-Di-1-naphthyloxamide","Acta Crystallographica Section E","2006","62","9","o3645","o3646","10.1107/S1600536806029370","","","0.71073","MoKα","","0.1059","0.0574","","","0.1346","0.1572","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210283","6.364","0.005","10.42","0.005","10.815","0.005","82.967","0.005","76.878","0.005","81.744","0.005","688.2","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Dibromo Tröger's base","2,8-dibromo-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine","","- C15 H12 Br2 N2 -","- C15 H12 Br2 N2 -","- C30 H24 Br4 N4 -","2","1","HK2097","Faroughi, Masoud; Try, Andrew C.; Turner, Peter","2,8-Dibromo-6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine","Acta Crystallographica Section E","2006","62","9","o3674","o3675","10.1107/S1600536806029886","","","0.71073","MoKα","","0.0375","0.0273","","","0.0662","0.0687","","","","","","1.276","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210284","9.1922","0.0005","9.1265","0.0005","14.106","0.0007","90","","90","","90","","1183.39","0.11","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[[(2,2'-bipyridine-κ^2^N,N')zinc(II)]-μ-oxalato]","","- C12 H8 N2 O4 Zn -","- C12 H8 N2 O4 Zn -","- C48 H32 N8 O16 Zn4 -","4","1","HK2098","Lin, Xin-Rong; Ye, Bao-Zhong; Liu, Jian-Sheng; Wei, Chun-Xia; Chen, Jian-Xin","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-oxalato]","Acta Crystallographica Section E","2006","62","9","m2130","m2132","10.1107/S1600536806030893","","","0.71073","MoKα","","0.0631","0.0227","","","0.0181","0.0207","","","","","","0.974","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210285","11.565","0.004","5.7481","0.0018","11.666","0.004","90","","117.309","0.005","90","","689.1","0.4","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(Benzotriazol-1-yl)-1-p-tolylpropan-1-one","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C32 H30 N6 O2 -","2","1","HK2099","Jun Wan; Yue-Qin Yu; Zheng-Zhong Peng; Sai Bi; Shu-Sheng Zhang","3-(Benzotriazol-1-yl)-1-<i>p</i>-tolylpropan-1-one","Acta Crystallographica Section E","2006","62","9","o3712","o3713","10.1107/S160053680603025X","","","0.71073","MoKα","","0.0839","0.0553","","","0.1221","0.1378","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210286","5.391","0.003","9.192","0.001","20.656","0.002","90","","93.25","0.03","90","","1021.9","0.6","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2,5-dibenzoylterephthalate","","- C24 H18 O6 -","- C24 H18 O6 -","- C48 H36 O12 -","2","0.5","HK2100","Shan Liu; Jun-Mei Tang; Hong-Jun Zhu","Dimethyl 2,5-dibenzoylterephthalate","Acta Crystallographica Section E","2006","62","9","o3829","o3830","10.1107/S160053680603114X","","","0.71073","MoKα","","0.1164","0.0623","","","0.1521","0.1858","","","","","","1.018","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210287","9.463","0.002","16.55","0.003","10.607","0.002","90","","107.191","0.016","90","","1587","0.6","294","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[(2-Hydroxynaphthalen-1-yl)(phenyl)methyl]-3-methylurea","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","HK2101","Bazgir, Ayoob; Amani, Vahid; Khavasi, Hamid Reza","1-[(2-Hydroxynaphthalen-1-yl)(phenyl)methyl]-3-methylurea","Acta Crystallographica Section E","2006","62","9","o3875","o3876","10.1107/S1600536806031552","","","0.71073","MoKα","","","0.0455","","","","0.1123","","","","","","1.085","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210288","22.242","0.003","8.921","0.001","14.367","0.002","90","","104.07","0.01","90","","2765.2","0.6","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Isopropylanilino)pyridine-3-carboxylic acid","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C120 H128 N16 O16 -","8","2","HK2102","Long, Sihui; Siegler, Maxime; Li, Tonglei","2-(2-Isopropylanilino)pyridine-3-carboxylic acid","Acta Crystallographica Section E","2006","62","9","o4211","o4213","10.1107/S1600536806034131","","","0.71073","MoKα","","0.1003","0.0513","","","0.1186","0.1415","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210289","12.786","0.002","4.007","0.0007","19.04","0.003","90","","103.932","0.002","90","","946.8","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cl N O2 -","- C10 H8 Cl N O2 -","- C40 H32 Cl4 N4 O8 -","4","1","HK2103","Butcher, Ray J.; Yathirajan, H. S.; Ashalatha, B. V.; Narayana, B.; Sarojini, B. K.","Methyl 5-chloro-1<i>H</i>-indole-2-carboxylate","Acta Crystallographica Section E","2006","62","9","o3915","o3917","10.1107/S1600536806032181","","","0.71073","MoKα","","0.0583","0.0383","","","0.1022","0.1179","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210290","8.04","0.003","12.475","0.004","15.331","0.005","90","","90","","90","","1537.7","0.9","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Tetrabromo Tröger's base","2,4,8,10-tetrabromo-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine","","- C15 H10 Br4 N2 -","- C15 H10 Br4 N2 -","- C60 H40 Br16 N8 -","4","1","HK2104","Faroughi, Masoud; Try, Andrew C.; Turner, Peter","2,4,8,10-Tetrabromo-6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine","Acta Crystallographica Section E","2006","62","9","o3893","o3894","10.1107/S1600536806031734","","","0.71073","MoKα","","0.0286","0.024","","","0.0512","0.0527","","","","","","1.127","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210291","11.6467","0.0011","7.8702","0.0005","10.8605","0.0011","90","","93.452","0.008","90","","993.69","0.15","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Piperazinediium μ-oxo-bis(fluorodioxochromate)","","- C4 H12 Cr2 F2 N2 O5 -","- C4 H12 Cr2 F2 N2 O5 -","- C16 H48 Cr8 F8 N8 O20 -","4","1","HK2105","Özyürek, Cengiz; Şendil, Kıvılcım; Dilek, Nefise; Ocak Iskeleli, Nazan","Piperazinediium μ-oxo-bis(fluorodioxochromate)","Acta Crystallographica Section E","2006","62","9","m2263","m2265","10.1107/S1600536806032387","","","0.71073","MoKα","","0.0361","0.0307","","","0.082","0.0921","","","","","","1.107","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210292","13.553","0.003","8.4219","0.0019","22.215","0.005","90","","90","","90","","2535.7","1","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Piperazinediium bis(pyridine-2,6-dicarboxylato)manganate(II) hexahydrate","","- C18 H30 Mn N4 O14 -","- C18 H30 Mn N4 O14 -","- C72 H120 Mn4 N16 O56 -","4","0.5","HK2106","Aghabozorg, Hossein; Ghasemikhah, Pouya; Soleimannejad, Janet; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar","Piperazinediium bis(pyridine-2,6-dicarboxylato)manganate(II) hexahydrate","Acta Crystallographica Section E","2006","62","9","m2266","m2268","10.1107/S1600536806032521","","","0.71073","MoKα","","0.0643","0.0404","","","0.1162","0.1305","","","","","","0.936","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210293","24.61","0.005","16.166","0.003","8.959","0.0017","90","","90","","90","","3564.3","1.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis[5,6-diphenyl-3-(2-pyridyl)-1,2,4-trizine-κ^2^N,N']manganese(II) monohydrate","","- C40 H30 Cl2 Mn N8 O -","- C40 H30 Cl2 Mn N8 O -","- C160 H120 Cl8 Mn4 N32 O4 -","4","1","HK2107","Eltayeb, Naser Eltaher; Guan, Teoh Siang; Yamin, Bohari M.","Bis[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine-κ^2^<i>N</i>,<i>N</i>']manganese(II) monohydrate","Acta Crystallographica Section E","2006","62","9","m2284","m2286","10.1107/S1600536806032934","","","0.71073","MoKα","","0.047","0.036","","","0.079","0.083","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210294","10.5327","0.0006","18.1833","0.001","17.5903","0.001","90","","94.687","0.005","90","","3357.6","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(piperazinediium) bis[tris(pyridine-2,6-dicarboxylato)-κ^6^O,N,O';κ^2^O,N-indiate(III)] dodecahydrate","","- C54 H78 In2 N12 O36 -","- C54 H78 In2 N12 O36 -","- C108 H156 In4 N24 O72 -","2","0.5","HK2109","Aghabozorg, Hossein; Ghadermazi, Mohammad; Sheshmani, Shabnam; Nakhjavan, Bahar","Tris(piperazinediium) bis[tris(pyridine-2,6-dicarboxylato)-κ^6^<i>O</i>,<i>N</i>,<i>O</i>';κ^2^<i>O</i>,<i>N</i>-indate(III)] dodecahydrate","Acta Crystallographica Section E","2006","62","9","m2371","m2373","10.1107/S160053680603371X","","","0.71073","MoKα","","0.0384","0.0309","","","0.0747","0.081","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210295","8.7056","0.0007","12.2393","0.0009","13.829","0.001","90","","93.608","0.007","90","","1470.57","0.19","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-diacetyl-2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C60 H64 N8 O20 -","4","1","HK2110","Vrábel, Viktor; Švorc Ľubomír; Milata, Viktor; Kožíšek, Jozef","3,5-Diacetyl-2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine","Acta Crystallographica Section E","2006","62","9","o4214","o4215","10.1107/S1600536806034088","","","0.71073","MoKα","","0.0611","0.0496","","","0.1396","0.1494","","","","","","1.098","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210296","17.11","0.004","5.4621","0.0012","17.129","0.004","90","","119.711","0.004","90","","1390.4","0.6","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1RS,2SR,6SR,7SR)-4,10-Dioxatricyclo[5.2.1.0^2,6^]dec-8-en-3-one","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","HK2113","Ustabaş, Reşat; Salamci, Emine; Çoruh, Ufuk; Vázquez-López, Ezequiel M.; Yavuz, Metin","(1<i>RS</i>,2<i>SR</i>,6<i>SR</i>,7<i>SR</i>)-4,10-Dioxatricyclo[5.2.1.0^2,6^]dec-8-en-3-one","Acta Crystallographica Section E","2006","62","9","o4209","o4210","10.1107/S160053680603426X","","","0.71073","MoKα","","0.1061","0.0854","","","0.2193","0.2323","","","","","","0.965","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210297","10.158","0.002","24.784","0.005","10.474","0.002","90","","98.626","0.003","90","","2607.1","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxybenzoylamino)benzimidazole","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C120 H104 N24 O16 -","8","2","HK2114","Bo Yang; You-Feng Xia; Sai Bi; Shu-Sheng Zhang","2-(4-Methoxybenzoylamino)benzimidazole","Acta Crystallographica Section E","2006","62","9","o4200","o4202","10.1107/S1600536806034210","","","0.71073","MoKα","","0.0706","0.0499","","","0.1104","0.1213","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210298","7.2207","0.0009","7.9232","0.001","14.6183","0.0018","98.36","0.002","101.476","0.002","99.546","0.002","794.37","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chloro-bis[chloro(dipyridophenazine-κ^2^N,N')copper(II)]","","- C36 H20 Cl4 Cu2 N8 -","- C36 H20 Cl4 Cu2 N8 -","- C36 H20 Cl4 Cu2 N8 -","1","0.5","HY2016","Han, Zheng-Bo","Di-μ-chloro-bis[chloro(dipyridophenazine-κ^2^<i>N</i>,<i>N</i>')copper(II)]","Acta Crystallographica Section E","2006","62","9","m2059","m2060","10.1107/S1600536806029321","","","0.71073","MoKα","","0.0608","0.051","","","0.13","0.1371","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210299","7.813","0.005","8.746","0.007","10.715","0.007","93.06","0.03","106.86","0.02","108.43","0.03","656.2","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","[5,16-Dimethyl-2,6,13,17-tetraazatricyclo[14,4,0^1.18^,0^7.12^]docosane- κ^4^N]dinitratocopper(II) trihydrate","","- C20 H46 Cu N6 O9 -","- C20 H46 Cu N6 O9 -","- C20 H46 Cu N6 O9 -","1","0.5","HY2020","Choi, Jong-Ha; Suzuki, Takayoshi; Kaizaki, Sumio","(5,16-Dimethyl-2,6,13,17-tetraazatricyclo[14,4,0^1,18^,0^7,12^]docosane-κ^4^<i>N</i>)dinitratocopper(II) trihydrate","Acta Crystallographica Section E","2006","62","9","m2383","m2385","10.1107/S1600536806034234","","","0.71073","MoKα","","0.0334","0.03","","","0.0965","0.1173","","","","","","1.191","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2210300","10.7278","0.0006","13.8859","0.0006","11.1108","0.0007","90","","118.22","0.002","90","","1458.39","0.14","293","2","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","{tris[2-(5-methylimidazol-4-ylmethylimino)ethyl]amino}copper(II) bis(perchlorate)","","- C21 H30 Cl2 Cu N10 O8 -","- C21 H30 Cl2 Cu N10 O8 -","- C42 H60 Cl4 Cu2 N20 O16 -","2","1","IS2053","He, Hong-Shan","A second polymorph of {tris[2-(5-methylimidazol-4-ylmethylimino)ethyl]amino}copper(II) diperchlorate","Acta Crystallographica Section E","2006","62","9","m2156","m2158","10.1107/S1600536806028868","","","0.71073","MoKα","","0.0946","0.0824","","","0.2332","0.2435","","","","","","1.088","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210301","6.043","0.001","12.094","0.0011","12.3011","0.0012","62.514","0.007","89.291","0.009","80.182","0.008","783.59","0.18","290","2","290","2","","","","","","","","5","P -1","-P 1","2","3'-Aminocyclohexanespiro-5'-hydantoin‒phenylboronic acid (1/1)","3-Amino-1,3-diazaspiro[4.5]decane-2,4-dione‒phenylboronic acid (1/1)","","- C14 H20 B N3 O4 -","- C14 H20 B N3 O4 -","- C28 H40 B2 N6 O8 -","2","1","IS2060","Boris Shivachev; Rosica Petrova; Emilia Naydenova","3'-Aminocyclohexanespiro-5'-hydantoin‒phenylboronic acid (1/1)","Acta Crystallographica Section E","2006","62","9","o3887","o3889","10.1107/S1600536806031539","","","0.71073","MoKα","","0.1354","0.0615","","","0.1406","0.1684","","","","","","1.031","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210302","5.6441","0.001","25.165","0.004","9.6851","0.0017","90","","90.216","0.003","90","","1375.6","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Benzoyl-N'-(2-methylphenyl)thiourea","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C60 H56 N8 O4 S4 -","4","1","JH2028","Zhang, Bin; Su, Bi-Quan; Xian, Liang","<i>N</i>-Benzoyl-<i>N</i>'-(2-methylphenyl)thiourea","Acta Crystallographica Section E","2006","62","9","o4024","o4026","10.1107/S1600536806032740","","","0.71073","MoKα","","0.074","0.0387","","","0.0923","0.1091","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210303","10.269","0.002","11.194","0.002","19.006","0.004","90","","90","","90","","2184.8","0.7","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","chromene","6-Acetyl-5-hydroxy-2,2-dimethyl-2H-chromene","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","JH2031","Rodríguez-López, Verónica; Moreno-Escobar, J. Armando; Ávila-Torres, Olga; Tlahuext, Hugo","6-Acetyl-5-hydroxy-2,2-dimethyl-2<i>H</i>-chromene","Acta Crystallographica Section E","2006","62","9","o3616","o3617","10.1107/S1600536806028947","","","0.71073","MoKα","","0.0645","0.058","","","0.1128","0.1155","","","","","","1.23","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210304","12.0026","0.0015","14.5838","0.0017","18.364","0.002","90","","90","","90","","3214.5","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4RS,6SR)2-amino-6-phenyl-4-p-tolyl-5,6-dihydro-4H-1,3-thiazin-3-ium chloride","","- C17 H19 Cl N2 S -","- C17 H19 Cl N2 S -","- C136 H152 Cl8 N16 S8 -","8","1","JH2033","Jie-Ping Wan; Dan-Hua Wang; Hui Xu; Cui-Rong Sun","(4<i>RS</i>,6<i>SR</i>)-2-Amino-6-phenyl-4-<i>p</i>-tolyl-5,6-dihydro-4<i>H</i>-1,3-thiazin-3-ium chloride","Acta Crystallographica Section E","2006","62","9","o3667","o3669","10.1107/S1600536806029485","","","0.71073","MoKα","","0.0799","0.0437","","","0.1005","0.1195","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210305","14.875","0.005","11.708","0.004","14.04","0.005","90","","97.11","0.005","90","","2426.4","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 Cl Co N4 O4 -","- C23 H34 Cl Co N4 O4 -","- C92 H136 Cl4 Co4 N16 O16 -","4","1","KJ2011","Hai-Ying Fu; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang","(<i>N</i>,<i>N</i>'-Bis{[1-(2-oxidophenyl)ethylene]aminoethyl}ethylenediamine)cobalt(III) chloride methanol solvate hydrate","Acta Crystallographica Section E","2006","62","9","m2213","m2215","10.1107/S1600536806031746","","","0.71073","MoKα","","0.0744","0.0505","","","0.135","0.1577","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210306","6.609","0.005","10.34","0.008","18.473","0.014","90","","90","","90","","1262.4","1.7","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(2-chloroethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin- 1-ium chloride","","- C11 H16 Cl2 N2 O -","- C11 H16 Cl2 N2 O -","- C44 H64 Cl8 N8 O4 -","4","1","KJ2018","Krishnan Ravikumar; Balasubramanian Sridhar","3-(2-Chloroethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-1-ium chloride","Acta Crystallographica Section E","2006","62","9","o3730","o3731","10.1107/S160053680603056X","","","0.71073","MoKα","","0.0575","0.0529","","","0.1273","0.1305","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210307","8.427","0.009","11.453","0.012","11.579","0.012","95.909","0.014","100.87","0.013","94.902","0.015","1085","2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","9-(3,4-Dimethoxyphenyl)-4-p-tolyl-4,5,6,7-tetrahydrofuro[3,4-b]quinoline- 1,8(3H,9H)-dione","","- C26 H25 N O5 -","- C26 H25 N O5 -","- C52 H50 N2 O10 -","2","1","KJ2020","Shu-Jiang Tu; Yan Zhang; Run-Hong Jia","9-(3,4-Dimethoxyphenyl)-4-<i>p</i>-tolyl-4,5,6,7-tetrahydrofuro[3,4-<i>b</i>]quinoline-1,8(3<i>H</i>,9<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","9","o3873","o3874","10.1107/S1600536806031345","","","0.71073","MoKα","","0.1347","0.0596","","","0.1203","0.1531","","","","","","0.985","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210308","17.832","0.003","45.098","0.004","9.0363","0.0007","90","","90","","90","","7266.9","1.5","120","2","120","2","","","","","","","","8","F d d 2","F 2 -2d","43","","(Acetonitrile)bis(tri-tert-butoxysilanethiolato-κ^2^O,S)cobalt(II)‒ (acetonitrile)bis(tri-tert-butoxysilanethiolato-κ^2^O,S)zinc(II) [0.81(5)/0.19(5)]","","- C26 H57 Co0.81 N O6 S2 Si2 Zn0.19 -","- C26 H57 Co0.81 N O6 S2 Si2 Zn0.19 -","- C208 H456 Co6.48 N8 O48 S16 Si16 Zn1.52 -","8","0.5","KJ2024","Kropidłowska, Anna; Chojnacki, Jaroslaw; Gołaszewska, Jolanta; Becker, Barbara","Solid solution of [<i>M</i>{SSi(OBu<i>^t^</i>)~3~}~2~(NCMe)], where <i>M</i> = Zn and Co","Acta Crystallographica, Section E","2006","62","9","m2260","m2262","10.1107/S1600536806032673","","","0.71073","MoKα","","0.0541","0.0505","","","0.1154","0.1177","","","","","","1.051","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210309","8.2654","0.0009","8.7649","0.0007","13.5367","0.0014","90","","107.533","0.008","90","","935.11","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitratotetrapyrazolezinc(II)","","- C12 H16 N10 O6 Zn -","- C12 H16 N10 O6 Zn -","- C24 H32 N20 O12 Zn2 -","2","0.5","KJ2026","Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael","Dinitratotetrapyrazolezinc(II)","Acta Crystallographica Section E","2006","62","9","m2299","m2300","10.1107/S1600536806032697","","","0.71073","MoKα","","0.0275","0.0244","","","0.0649","0.0663","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210310","10.554","0.002","9.708","0.002","10.599","0.003","90","","103.299","0.003","90","","1056.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3,4,6-tetra-O-acetyl-2-chloroethyl-β-D-galactopyranoside","","- C16 H23 Cl O10 -","- C16 H23 Cl O10 -","- C32 H46 Cl2 O20 -","2","1","KP2040","Xiao-Ru Zhang; Xiao-Hui Yang; Xue-Mei Li; Shu-Sheng Zhang","2,3,4,6-Tetra-<i>O</i>-acetyl-2-chloroethyl-β-<small>D</small>-galactopyranoside","Acta Crystallographica Section E","2006","62","9","o3657","o3659","10.1107/S1600536806029242","","","0.71073","MoKα","","0.0585","0.0503","","","0.132","0.141","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210311","7.9427","0.0007","10.7301","0.0009","14.8175","0.0012","100.404","0.001","95.328","0.001","108.582","0.001","1161.9","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Aquabis(p-chlorobenzoato)(1,10-phenanthroline)copper(II)","","- C26 H18 Cl2 Cu N2 O5 -","- C26 H18 Cl2 Cu N2 O5 -","- C52 H36 Cl4 Cu2 N4 O10 -","2","1","KP2042","Zhu, Long-Guan; Xiao, Hong-Ping","Aquabis(<i>p</i>-chlorobenzoato)(1,10-phenanthroline)copper(II)","Acta Crystallographica Section E","2006","62","9","m2061","m2063","10.1107/S1600536806029965","","","0.71073","MoKα","","0.0439","0.0401","","","0.1025","0.1055","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210312","12.209","0.003","13.513","0.003","13.865","0.003","89.2","0.02","87.4","0.02","86.454","0.015","2280.6","0.9","296","1","296","1","","","","","","","","6","P -1","-P 1","2","","Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κS)(triphenylphosphine- κP)osmium(IV) n-hexane hemisolvate","","- C45 H26 F16 Os P S4 -","- C45 H26 F16 Os P S4 -","- C90 H52 F32 Os2 P2 S8 -","2","1","KP2044","Cerón, Margarita; Arroyo, Maribel; Bernès, Sylvain","Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphine-κ<i>P</i>)osmium(IV) <i>n</i>-hexane hemisolvate","Acta Crystallographica Section E","2006","62","9","m2167","m2169","10.1107/S1600536806029230","","","0.71073","MoKα","","0.0841","0.0645","","","0.1608","0.174","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210313","8.0337","0.0001","9.2664","0.0001","16.6207","0.0002","90","","93.2395","0.0008","90","","1235.33","0.03","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diiodobis(triisopropylphosphino)platinum(II)","","- C18 H42 I2 P2 Pt -","- C18 H42 I2 P2 Pt -","- C36 H84 I4 P4 Pt2 -","2","0.5","KP2046","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen","<i>trans</i>-Diiodobis(triisopropylphosphino)platinum(II)","Acta Crystallographica Section E","2006","62","9","m2210","m2212","10.1107/S1600536806030996","","","0.71073","MoKα","","0.0264","0.0214","","0.0297","0.0254","0.0254","","","","","","1.0313","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210314","13.6266","0.0004","10.3234","0.0003","20.6939","0.0006","90","","90","","90","","2911.07","0.15","100","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[η^6^-2-Benzoyl-2-(1,2-dihydropyridin-2-ylidene)acetonitrile] tricarbonylchromium(0)","","- C17 H10 Cr N2 O4 -","- C17 H10 Cr N2 O4 -","- C136 H80 Cr8 N16 O32 -","8","1","KP2047","Duke, III, Charles B.; Ross, II, Charles R.; Burkey, Theodore J.","[η^6^-2-Benzoyl-2-(1,2-dihydropyridin-2-ylidene)acetonitrile]tricarbonylchromium(0)","Acta Crystallographica Section E","2006","62","9","m2086","m2088","10.1107/S1600536806029904","","","1.54178","CuKα","","","0.0413","","","","0.1202","","","","","","1.087","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210315","14.0993","0.0003","13.8355","0.0003","5.8022","0.0001","90","","96.634","0.001","90","","1124.26","0.04","100","0.1","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Bromophenyl)-3-(2-thienyl)prop-2-en-1-one","","- C13 H9 Br O S -","- C13 H9 Br O S -","- C52 H36 Br4 O4 S4 -","4","1","LH2122","P. S. Patil; Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; S. M. Dharmaprakash","1-(4-Bromophenyl)-3-(2-thienyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o3718","o3720","10.1107/S1600536806026079","","","0.71073","MoKα","","0.044","0.0286","","","0.0687","0.0755","","","","","","1.031","","","","has coordinates,has disorder","176787","2020-10-21","18:00:00",""
"2210316","5.9056","0.0001","28.7358","0.0005","6.9265","0.0002","90","","104.568","0.001","90","","1137.65","0.04","100","0.1","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Nitrophenyl)-3-(2-thienyl)prop-2-en-1-one","","- C13 H9 N O3 S -","- C13 H9 N O3 S0.996 -","- C52 H36 N4 O12 S3.984 -","4","1","LH2128","Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","1-(4-Nitrophenyl)-3-(2-thienyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o3957","o3958","10.1107/S1600536806032272","","","0.71073","MoKα","","0.0934","0.052","","","0.1265","0.152","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2210317","5.5284","0.0006","8.189","0.001","11.0343","0.0013","90","","100.468","0.002","90","","491.23","0.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nickel astrakanite","Disodium nickel bis(sulfate) tetrahydrate","","- H8 Na2 Ni O12 S2 -","- H8 Na2 Ni O12 S2 -","- H16 Na4 Ni2 O24 S4 -","2","0.5","LH2132","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Disodium nickel bis(sulfate) tetrahydrate: a nickel astrakanite","Acta Crystallographica Section E","2006","62","9","i196","i198","10.1107/S1600536806033022","","","0.71073","MoKα","","0.0233","0.0226","","","0.0662","0.0666","","","","","","1.034","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210318","11.1234","0.0005","7.7504","0.0004","28.4607","0.0011","90","","90","","90","","2453.62","0.19","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-(1,3-Benzodioxol-5-yl)-1-phenylprop-2-en-1-one","","- C16 H12 O3 -","- C16 H12 O3 -","- C128 H96 O24 -","8","1","LH2140","Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Bindya, S.; Bolte, Michael","3-(1,3-Benzodioxol-5-yl)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o3629","o3630","10.1107/S160053680602767X","","","0.71073","MoKα","","0.0372","0.0345","","","0.0901","0.0919","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210319","12.4631","0.0007","12.4631","0.0007","24.538","0.003","90","","90","","90","","3811.5","0.6","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Bis(2-aminonaphthalene-1-sulfonato-κO)bis(1,10-phenanthroline)zinc(II)","","- C44 H32 N6 O6 S2 Zn -","- C44 H32 N6 O6 S2 Zn -","- C176 H128 N24 O24 S8 Zn4 -","4","0.5","LH2141","Pei-Xia Dai; Jian-Hua Guo; En-Cui Yang","Bis(2-aminonaphthalene-1-sulfonato-κ<i>O</i>)bis(1,10-phenanthroline)zinc(II)","Acta Crystallographica Section E","2006","62","9","m2096","m2098","10.1107/S1600536806028261","","","0.71073","MoKα","","0.0255","0.0232","","","0.0586","0.0595","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210320","6.8572","0.0005","16.7211","0.0011","13.9299","0.0012","90","","98.173","0.006","90","","1581","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H13 Cl2 F O3 -","- C17 H13 Cl2 F O3 -","- C68 H52 Cl8 F4 O12 -","4","1","LH2145","Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Bindya, S.; Bolte, Michael","1-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o3631","o3632","10.1107/S160053680602770X","","","0.71073","MoKα","","0.032","0.0295","","","0.0764","0.078","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210321","22.765","0.002","6.1372","0.0004","11.8688","0.0012","90","","109.805","0.007","90","","1560.1","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tert-Butylmethylsilanediol","","- C5 H14 O2 Si -","- C5 H14 O2 Si -","- C40 H112 O16 Si8 -","8","1","LH2146","Kückmann, Theresa I.; Lerner, Hans-Wolfram; Bolte, Michael","<i>tert</i>-Butylmethylsilanediol","Acta Crystallographica Section E","2006","62","9","o3633","o3635","10.1107/S1600536806027899","","","0.71073","MoKα","","0.0369","0.0334","","","0.095","0.097","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210322","9.646","0.003","10.99","0.003","8.351","0.003","79.86","0.03","67.75","0.03","66.62","0.03","751.7","0.5","153","","153","","","","","","","","","4","P -1","-P 1","2","2-amino-4,6-dimethylpyrimidinium picrate","2-amino-4,6-dimethylpyrimidinium 2,4,6-trinitrophenolate","","- C12 H12 N6 O7 -","- C12 H12 N6 O7 -","- C24 H24 N12 O14 -","2","1","LH2147","Annamalai Subashini; Packianathan Thomas Muthiah; Gabriele Bocelli; Andrea Cantoni","Hydrogen-bonding patterns in 2-amino-4,6-dimethylpyrimidinium picrate","Acta Crystallographica Section E","2006","62","9","o3847","o3849","10.1107/S1600536806031254","","","1.54178","CuKα","","0.0781","0.0602","","","0.1804","0.2008","","","","","","1.009","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210323","10.5909","0.0001","10.9374","0.0001","11.0418","0.0002","82.2188","0.0008","62.903","0.0006","79.2876","0.0008","1116.93","0.03","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","N-[4-(2-Oxo-2H-chromen-3-yl)-3-phenyl-3H-thiazol-2-ylidene]anilinium bromide methanol solvate","","- C25 H21 Br N2 O3 S -","- C25 H21 Br N2 O3 S -","- C50 H42 Br2 N4 O6 S2 -","2","1","LH2149","Seethalakshmi, T.; Rajeswar Rao, V.; Vijaya Kumar, P.; Kaliannan, P.","<i>N</i>-[4-(2-Oxo-2<i>H</i>-chromen-3-yl)-3-phenyl-3<i>H</i>-thiazol-2-ylidene]anilinium bromide methanol solvate","Acta Crystallographica Section E","2006","62","9","o3771","o3773","10.1107/S1600536806030662","","","0.71073","MoKα","","0.0481","0.0376","","","0.087","0.0918","","","","","","1.11","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210324","8.6345","0.0008","14.0418","0.0013","14.281","0.0013","92.724","0.002","104.845","0.002","90.376","0.002","1671.5","0.3","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","Bis(benzimidazol-2-yl-methyl)amine‒ethanol‒water (2/2/1)","","- C34 H40 N10 O3 -","- C34 H40 N10 O3 -","- C68 H80 N20 O6 -","2","1","LH2150","Meng, Xiang-Gao; Mei, Fu-Sheng; Liao, Zhan-Ru","Bis(benzimidazol-2-ylmethyl)amine‒ethanol‒water (2/1/2)","Acta Crystallographica Section E","2006","62","9","o3989","o3991","10.1107/S1600536806032296","","","0.71073","Mokα","","0.1044","0.0594","","","0.1469","0.167","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210326","12.796","0.005","14.005","0.005","7.188","0.003","90","","103.763","0.006","90","","1251.2","0.8","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Chlorobenzyl)phthaimide","","- C15 H10 Cl N O2 -","- C15 H10 Cl N O2 -","- C60 H40 Cl4 N4 O8 -","4","1","LH2153","Chen, Ping; Li, Dan; Zhang, Ling","<i>N</i>-(4-Chlorobenzyl)phthalimide","Acta Crystallographica Section E","2006","62","9","o4136","o4137","10.1107/S1600536806031266","","","0.71073","MoKα","","0.1459","0.0511","","","0.1205","0.1583","","","","","","0.991","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210327","11.025","0.002","8.1452","0.0016","40.417","0.008","90","","91.4","0.03","90","","3628.4","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","naphthalene-2,7-diol‒2,5-di-4-pyridyl-1,3,4-oxadiazole (1/1)","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C176 H128 N32 O24 -","8","1","LH2154","Wang, Yong-Tao; Tang, Gui-Mei","1:1 Cocrystal of naphthalene-2,7-diol and 2,5-di-4-pyridyl-1,3,4-oxadiazole","Acta Crystallographica Section E","2006","62","9","o3833","o3834","10.1107/S1600536806031278","","","0.71073","MoKα","","0.1046","0.0508","","","0.1033","0.1272","","","","","","0.991","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210328","18.4425","0.001","6.5063","0.0004","18.8979","0.0011","90","","98.023","0.001","90","","2245.4","0.2","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-(1-methylphenyl)pyridinium bromide","","- C12 H13 Br N2 -","- C12 H13 Br N2 -","- C96 H104 Br8 N16 -","8","1","LH2155","Seethalakshmi, T.; Venkatesan, P.; Butcher, Ray J.; Nallu, M.; Kaliannan, P.","2-Amino-(1-methylphenyl)pyridinium bromide","Acta Crystallographica Section E","2006","62","9","o4010","o4011","10.1107/S1600536806032843","","","0.71073","MoKα","","0.0228","0.0205","","","0.0518","0.0529","","","","","","1.069","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210329","16.9257","0.0016","7.5144","0.0008","16.8911","0.0015","90","","93.562","0.005","90","","2144.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[3-(4-nitrobenzylideneamino)propyl]-2-(4-nitrophenyl)hexahydropyrimidine methanol solvate","","- C21 H27 N5 O5 -","- C21 H27 N5 O5 -","- C84 H108 N20 O20 -","4","1","LH2156","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded chains in 1-[3-(4-nitrobenzylideneamino)propyl]-2-(4-nitrophenyl)hexahydropyrimidine methanol solvate","Acta Crystallographica Section E","2006","62","9","o3844","o3846","10.1107/S1600536806031229","","","0.71073","MoKα","","0.132","0.0833","","","0.199","0.2218","","","","","","1.075","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210330","6.7757","0.0002","27.7655","0.0006","14.8433","0.0003","90","","101.434","0.0008","90","","2737.06","0.11","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H28 O7 -","- C17 H28 O7 -","- C102 H168 O42 -","6","3","LH2158","Håkansson, Anders E.; van Ameijde, Jeroen; Horne, Graeme; Guglielmini, Luisa; Nash, Robert J.; Fleet, George W.J.; Watkin, David J.","2,3:6,7-Di-<i>O</i>-diethylidene-<small>D</small>-<i>glycero</i>-<small>L</small>-<i>talo</i>-heptono-1,4-lactone","Acta Crystallographica Section E","2006","62","9","o3890","o3892","10.1107/S1600536806031618","","","0.71073","MoKα","","0.0519","0.0519","","0.1127","0.1127","0.1127","","","","","","0.9689","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210331","8.9032","0.001","9.0892","0.0007","19.307","0.002","90","","95.174","0.009","90","","1556","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2E)-1-(3-Bromo-2-thienyl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-en-1-one","","- C15 H12 Br N O5 S -","- C15 H12 Br N O5 S -","- C60 H48 Br4 N4 O20 S4 -","4","1","LH2160","Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Ashala, B.V.; Bolte, Michael","(2<i>E</i>)-1-(3-Bromo-2-thienyl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o3964","o3965","10.1107/S1600536806032284","","","0.71073","MoKα","","0.058","0.0495","","","0.1222","0.1274","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210332","4.83","0.0008","10.648","0.0014","15.6476","0.0016","90","","94.434","0.009","90","","802.34","0.19","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-amino-2-methylisoindoline-1,3-dione","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C36 H32 N8 O8 -","4","1","LH2162","Liang, Zu-Pei; Li, Jian","5-Amino-2-methylisoindoline-1,3-dione","Acta Crystallographica Section E","2006","62","9","o4126","o4127","10.1107/S1600536806033034","","","0.7107","MoKα","","0.0655","0.0479","","","0.122","0.1337","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210333","20.0595","0.0003","10.6269","0.0002","15.0647","0.0002","90","","97.572","0.001","90","","3183.34","0.09","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,3-Benzothiazol-2-yl)[1-(2-chlorobenzyl)imidazolidin-2-ylidene]amine","","- C17 H15 Cl N4 S -","- C17 H15 Cl N4 S -","- C136 H120 Cl8 N32 S8 -","8","1","NC2020","Sema Öztürk Yıldırım; Mehmet Akkurt; Osman Danışman; Memet Şekerci; H.-K. Fun","(1,3-Benzothiazol-2-yl)[1-(2-chlorobenzyl)imidazolidin-2-ylidene]amine","Acta Crystallographica Section E","2006","62","9","o3812","o3813","10.1107/S1600536806030959","","","0.71069","MoKα","","0.0728","0.0459","","","0.1191","0.1351","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210334","9.6245","0.0005","20.623","0.001","13.6569","0.0007","90","","108.699","0.001","90","","2567.6","0.2","161.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-[1'-(2,4,6-Trimethylanilino)-1-ferrocenyl]-N-(2,4,6- trimethylphenyl)thiocarbamoyl chloride","","- C29 H31 Cl Fe N2 S -","- C29 H31 Cl Fe N2 S -","- C116 H124 Cl4 Fe4 N8 S4 -","4","1","NG2044","Rupert, Benjamin L.; Arnold, John","<i>N</i>-[1'-(2,4,6-Trimethylanilino)-1-ferrocenyl]-<i>N</i>-(2,4,6-trimethylphenyl)thiocarbamoyl chloride","Acta Crystallographica Section E","2006","62","9","m2014","m2015","10.1107/S1600536806028972","","","0.7107","MoKα","","0.0451","0.0326","","0.0453","","0.0431","","","","","","1.871","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210335","5.9541","0.0019","25.047","0.008","11.215","0.004","90","","100.775","0.007","90","","1643","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[bis[diaquaisonicotinatogadolinium(III)]-bis(μ~3~-pyridine- 3,4-dicarboxylato)]","","- C13 H11 Gd N2 O8 -","- C13 H11 Gd N2 O8 -","- C52 H44 Gd4 N8 O32 -","4","1","NG2046","Han, Zheng-Bo; He, Yong-Ke","<i>catena</i>-Poly[bis[diaquaisonicotinatogadolinium(III)]-bis(μ~3~-pyridine-3,4-dicarboxylato)]","Acta Crystallographica Section E","2006","62","9","m2374","m2376","10.1107/S1600536806034180","","","0.71073","MoKα","","0.0458","0.0399","","","0.0874","0.0903","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210336","22.07","0.004","16.104","0.003","23.479","0.005","90","","109.7","0.03","90","","7856","3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","μ-3,3'-bisacetylacetonato-bis[(2,2'-bipyridine)palladium(II)] hexafluorophosphate acetonitrile solvate","","- C42 H43 F12 N5 O8 P2 Pd2 -","- C32 H31 F12 N5 O4 P2 Pd2 -","- C256 H248 F96 N40 O32 P16 Pd16 -","8","1","NG2048","Mei, Guang-Quan; Ke-Long, Huang; Huang, Hai-Ping; Li, Yi-Zhi","π-Stacking of μ-3,3'-bisacetylacetonato-bis[(2,2'-bipyridine)palladium(II)] hexafluorophosphate acetonitrile solvate","Acta Crystallographica Section E","2006","62","9","m2368","m2370","10.1107/S1600536806033861","","","0.71073","MoKα","","0.081","0.0604","","","0.1368","0.1413","","","","","","1.091","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210337","11.617","0.007","13.484","0.004","12.43","0.004","90","","117.367","0.005","90","","1729.2","1.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Di-μ~2~-methoxo-bis[benzyl(5-chloro-2-oxidobenzaldehyde thiosemicarbazonato)tin(IV)]","","- C32 H32 Cl2 N6 O4 S2 Sn2 -","- C32 H32 Cl2 N6 O4 S2 Sn2 -","- C64 H64 Cl4 N12 O8 S4 Sn4 -","2","0.5","NG2050","Sarma, Moumita Sen; Ellis, Carol A.; Moitra, Nirmalya; Roy, Abhijit; Tiekink, Edward R. T.","Di-μ~2~-methoxo-bis[benzyl(5-chloro-2-oxidobenzaldehyde thiosemicarbazonato)tin(IV)]","Acta Crystallographica Section E","2006","62","9","m2067","m2069","10.1107/S1600536806029709","","","0.7107","MoKα","","0.05","0.05","","","0.117","0.117","","","","","","1.22","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210338","12.663","0.003","3.9531","0.0005","11.873","0.003","90","","111.87","0.03","90","","551.6","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dirubidium terephthalate dihydrate","Poly[di-μ~3~-aqua-μ~4~-terephthalato-dirubidium]","","- C8 H8 O6 Rb2 -","- C8 H8 O6 Rb2 -","- C16 H16 O12 Rb4 -","2","0.5","NG2059","Stein, Irena; Ruschewitz, Uwe","Poly[di-μ~3~-aqua-μ~4~-terephthalato-dirubidium]","Acta Crystallographica Section E","2006","62","9","m2116","m2118","10.1107/S160053680602928X","","","0.71073","MoKα","","0.0669","0.042","","","0.092","0.1032","","","","","","0.958","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210339","10.854","0.003","18.955","0.006","7.1592","0.0019","90","","116.23","0.02","90","","1321.2","0.7","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[aqua-μ~2~-1,4-diazabicyclo[2.2.2]octane-μ~2~-terephthalato-zinc(II)]","","- C14 H18 N2 O5 Zn -","- C14 H18 N2 O5 Zn -","- C56 H72 N8 O20 Zn4 -","4","0.5","NG2061","Ling-Yun Zhang; Xian-Zhong Sun","A two-dimensional network: poly[aqua-μ~2~-1,4-diazabicyclo[2.2.2]octane-μ~2~-terephthalato-zinc(II)]","Acta Crystallographica Section E","2006","62","9","m2224","m2226","10.1107/S1600536806030868","","","0.71073","MoKα","","0.0263","0.0245","","","0.063","0.0648","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210340","19.874","0.004","5.36","0.0011","9.542","0.0019","90","","97.41","0.03","90","","1008","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rac-Poly[bis(μ-tryptophanato)manganese(II)]","","- C22 H22 Mn N4 O4 -","- C22 H22 Mn N4 O4 -","- C44 H44 Mn2 N8 O8 -","2","0.5","NG2063","Yu Xie; Hao-Han Wu; Guo-Ping Yong; Zhi-Yong Wang","<i>rac</i>-Poly[bis(μ-tryptophanato)manganese(II)]","Acta Crystallographica Section E","2006","62","9","m2089","m2090","10.1107/S1600536806030364","","","0.71073","MoKα","","0.0707","0.0662","","","0.1673","0.1698","","","","","","1.094","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210341","10.783","0.002","10.894","0.002","11.628","0.002","69.59","0.02","77.14","0.02","68.44","0.02","1183.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetra-μ-α-methylacrylato-bis[(methylacrylato)(1,10- phenanthroline)gadolinium(III)] dihydrate","","- C48 H50 Gd2 N4 O14 -","- C48 H50 Gd2 N4 O14 -","- C48 H50 Gd2 N4 O14 -","1","0.5","NG2064","Wu, Bin","Tetra-μ-α-methacrylato-bis[(methacrylato)(1,10-phenanthroline)gadolinium(III)] dihydrate","Acta Crystallographica Section E","2006","62","9","m2084","m2085","10.1107/S1600536806030212","","","0.71069","MoKα","","0.0337","0.0304","","","0.0751","0.077","","","","","","1.06","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210342","13.7254","0.0011","11.0183","0.0009","6.6998","0.0005","90","","90","","90","","1013.21","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[trimethyltin(IV)-μ-4-methyl-4H-1,2,4-triazole-3-thiolato- κ^2^S:N^1^]","","- C6 H13 N3 S Sn -","- C6 H13 N3 S Sn -","- C24 H52 N12 S4 Sn4 -","4","1","NG2066","Aziz-ur-Rehman; Ali, Saqib; Shahzadi, Saira; Helliwell, Madeleine","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-4-methyl-4<i>H</i>-1,2,4-triazole-3-thiolato-κ^2^<i>S</i>:<i>N</i>^1^]","Acta Crystallographica Section E","2006","62","9","m2328","m2329","10.1107/S1600536806033654","","","0.71073","MoKα","","0.0169","0.0166","","","0.0413","0.0415","","","","","","1.07","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210343","11.533","0.002","13.375","0.003","17.109","0.003","70.99","0.03","78.5","0.03","86.16","0.03","2445.1","1","295","","295","","","","","","","","","4","P -1","-P 1","2","","3-Ferrocenyl-5-methyl-1H-pyrazole","","- C14 H14 Fe N2 -","- C14 H14 Fe N2 -","- C112 H112 Fe8 N16 -","8","4","NG2067","Yao-Cheng Shi; Bei-Bei Zhu; Chun-Xia Sui","3-Ferrocenyl-5-methyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2006","62","9","m2389","m2391","10.1107/S1600536806034143","","","0.71073","MoKα","","0.098","0.0584","","","0.1315","0.1518","","","","","","1.043","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210344","23.3452","0.0015","15.579","0.0013","15.5765","0.0012","90","","121.746","0.012","90","","4817.5","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H46 Co2 N4 O9 -","- C56 H46 Co2 N4 O9 -","- C224 H184 Co8 N16 O36 -","4","0.5","NG2069","Bing-Yu Zhang; Tu-Gen Xu; Duan-Jun Xu","μ-Aqua-bis(μ-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(4-methylbenzoato-κ<i>O</i>)(phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]","Acta Crystallographica Section E","2006","62","9","m2186","m2188","10.1107/S1600536806031643","","","0.71073","MoKα","","0.055","0.04","","","0.091","0.096","","","","","","1.111","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210345","9.649","0.005","10.506","0.006","12.202","0.006","76.571","0.016","66.996","0.013","83.479","0.018","1107.1","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tetraethylammonium dichlorotetra-μ-benzamidato-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>- dirhodate(II,III)(Rh—Rh) dichloromethane disolvate","","- C38 H48 Cl6 N5 O4 Rh2 -","- C38 H48 Cl6 N5 O4 Rh2 -","- C38 H48 Cl6 N5 O4 Rh2 -","1","0.5","NG2071","Ebihara, Masahiro; Yamada, Kaori","Tetraethylammonium tetra-μ-benzamidato-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-dichlorodirhodate(II,III)<i>(Rh{—</i>Rh)} dichloromethane disolvate","Acta Crystallographica Section E","2006","62","9","m2377","m2379","10.1107/S1600536806034209","","","0.71069","MoKα","","0.0706","0.0493","","","0.0936","0.1014","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210346","7.019","0.001","10.225","0.001","11.6","0.0011","104.25","0.05","101.92","0.05","96.6","0.05","777.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Poly[diaqua-μ~3~-hydrogenoglutarato-μ~2~-hydrogenoglutarato-strontium(II)]","","- C10 H18 O10 Sr -","- C10 H18 O10 Sr -","- C20 H36 O20 Sr2 -","2","1","NG2072","Aliouane, K; Taibi, K; Guehria-Laidoudi, A; Dahaoui, S; Lecomte, C","Poly[diaqua-μ~3~-hydrogenglutarato-μ~2~-hydrogenglutarato-strontium(II)]","Acta Crystallographica Section E","2006","62","9","m2316","m2318","10.1107/S1600536806033666","","","0.71073","MoKα","","0.0574","0.0391","","","0.0642","0.0701","","","","","","1.102","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210347","13.61","0.0002","21.106","0.0003","17.573","0.0003","90","","90","","90","","5047.89","0.13","150","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[diacetonitrile-μ~2~-acetato-μ~2~-N,N'-bis(2-hydroxyphenyl)pyridine- 2,6-dicarboxamide)potassium(I)]","","- C25 H24 K N5 O6 -","- C25 H24 K N5 O6 -","- C200 H192 K8 N40 O48 -","8","1","NG2075","Pérez, Yolanda; Johnson, Andrew L.; Raithby, Paul R.","Poly[μ~2~-acetato-diacetonitrile[μ~2~-<i>N</i>,<i>N</i>'-bis(2-hydroxyphenyl)pyridine-2,6-dicarboxamide]potassium(I)]","Acta Crystallographica Section E","2006","62","9","m2359","m2360","10.1107/S1600536806033678","","","0.71073","MoKα","","","0.0622","","","","0.1825","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210348","10.3689","0.0011","10.6608","0.0012","21.37","0.003","90","","99.252","0.005","90","","2331.5","0.5","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-iodo-1-ferrocenylethanone","","- C12 H11 Fe I O -","- C12 H11 Fe I O -","- C96 H88 Fe8 I8 O8 -","8","2","NG2081","McAdam, C. John; Robinson, Brian H.; Simpson, Jim","1-Ferrocenyl-2-iodoethanone","Acta Crystallographica Section E","2006","62","9","m2354","m2356","10.1107/S160053680603385X","","","0.71073","MoKα","","0.0218","0.0179","","","0.0635","0.0779","","","","","","1.31","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210349","9.829","0.0012","6.658","0.0018","16.566","0.002","90","","99.91","0.009","90","","1067.9","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","","vespertilin acetate","3β-Acetoxy-16β-hydroxypregn-5-ene-20-carboxylic acid 16-lactone","","- C24 H34 O4 -","- C24 H34 O4 -","- C48 H68 O8 -","2","1","OB2039","Flores-Alamo, Marcos; Rosiles-Exkiws, Jose A.; Iglesias-Arteaga, Martin A.","3β-Acetoxy-16β-hydroxypregn-5-ene-20-carboxylic acid 16-lactone (vespertilin acetate)","Acta Crystallographica Section E","2006","62","9","o3774","o3775","10.1107/S1600536806030728","","","0.71073","MoKα","","0.0635","0.0469","","","0.1167","0.1272","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210350","11.163","0.005","10.422","0.004","23.031","0.01","90","","93.298","0.005","90","","2675","2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-tert-Butyl-2-(tert-butyloxysulfanyl)1-(3,5-dimethylbenzoyl)- 2-(4-ethylbenzoyl)hydrazine","","- C26 H36 N2 O3 S -","- C26 H36 N2 O3 S -","- C104 H144 N8 O12 S4 -","4","1","OB2040","Shang, Jian; Wang, Qing-Min; Huang, Run-Qiu; Chen, Li; Guo, Jian-Hua","1-<i>tert</i>-Butyl-2-(<i>tert</i>-butoxysulfanyl)-1-(3,5-dimethylbenzoyl)-2-(4-ethylbenzoyl)hydrazine","Acta Crystallographica Section E","2006","62","9","o3778","o3779","10.1107/S1600536806030510","","","0.71073","MoKα","","0.0611","0.0428","","","0.1162","0.1299","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210351","6.9369","0.0009","8.1298","0.0011","8.3373","0.0011","77.625","0.01","83.344","0.01","86.951","0.01","455.97","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-10-oxa-3-thiatricyclo[5.2.1.0^1,5^]dec-8-ene 3,3-dioxide","","- C8 H9 Cl O3 S -","- C8 H9 Cl O3 S -","- C16 H18 Cl2 O6 S2 -","2","1","OB2041","Koşar, Başak; Göktürk, Ersen; Demircan, Aydın; Büyükgüngör, Orhan","5-Chloro-10-oxa-3-thiatricyclo[5.2.1.0^1,5^]dec-8-ene 3,3-dioxide","Acta Crystallographica Section E","2006","62","9","o4192","o4193","10.1107/S160053680603073X","","","0.71073","MoKα","","0.0402","0.0369","","","0.1113","0.114","","","","","","1.196","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210352","21.525","0.005","21.525","0.005","17.396","0.004","90","","90","","90","","8060","3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","2-(1H-1,3-Benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone semicarbazone","","- C17 H17 N5 O S -","- C17 H17 N5 O S -","- C272 H272 N80 O16 S16 -","16","1","OB2042","N. Kiruthiga; S. Athimoolam; S. Saravanan; S. Muthusubramanian; S. Natarajan","2-(1<i>H</i>-1,3-Benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone semicarbazone","Acta Crystallographica Section E","2006","62","9","o3897","o3899","10.1107/S1600536806031485","","","0.71069","MoKα","","0.2135","0.0711","","","0.175","0.2107","","","","","","0.851","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210353","14.667","0.008","9.585","0.004","11.774","0.005","90","","112.131","0.018","90","","1533.3","1.3","298","1","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3-[3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2- dimethylcyclopropanecarbonyl]thiazolidine-2-thione","","- C12 H13 Cl F3 N O S2 -","- C12 H13 Cl F3 N O S2 -","- C48 H52 Cl4 F12 N4 O4 S8 -","4","1","OB2043","Na-Bo Sun; De-Long Shen; Jian-Quan Weng; Cheng-Xia Tan","3-[3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarbonyl]thiazolidine-2-thione","Acta Crystallographica Section E","2006","62","9","o3862","o3863","10.1107/S1600536806031497","","","0.71075","MoKα","","","0.0443","","","","0.117","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210354","9.6148","0.0015","7.2699","0.0011","13.523","0.002","90","","95.289","0.003","90","","941.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-Bis(2-thienylmethyl)4,4'-(butane-1,4-diyl)bis(4,5-dihydro-1H- 1,2,4-triazol-5-one)","","- C18 H20 N6 O2 S2 -","- C18 H20 N6 O2 S2 -","- C36 H40 N12 O4 S4 -","2","0.5","OB2045","Ünver, Yasemin; Ustabaş, Reşat; Çoruh, Ufuk; Sancak, Kemal; Vázquez-López, Ezequiel M.","3,3'-Bis(2-thienylmethyl)-4,4'-(butane-1,4-diyl)bis(4,5-dihydro-1<i>H</i>-1,2,4-triazol-5-one)","Acta Crystallographica Section E","2006","62","9","o3938","o3939","10.1107/S1600536806031898","","","0.71073","MoKα","","0.0719","0.0434","","","0.0956","0.1022","","","","","","0.923","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210355","38.97","0.019","14.804","0.007","18.441","0.009","90","","90","","90","","10639","9","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Tris(1,4-dimethylpyridinium) aquaheptakis(dimethylformamide-κO)lanthanum(III) diphosphatooctadecatungste dimethylformamide disolvate","","- C48 H95 La N12 O72 P2 W18 -","- C48 H95 La N12 O72 P2 W18 -","- C192 H380 La4 N48 O288 P8 W72 -","4","1","OB2046","Xue-Jie Tan; Si-Xiu Sun; Dian-Xiang Xing","Tris(1,4-dimethylpyridinium) aquaheptakis(dimethylformamide-κ<i>O</i>)lanthanum(III) diphosphatooctadecatungsten dimethylformamide disolvate","Acta Crystallographica Section E","2006","62","9","m2252","m2254","10.1107/S1600536806032351","","","0.71073","MoKα","","0.1294","0.1057","","","0.2396","0.2619","","","","","","0.999","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210356","12.246","0.003","8.6666","0.0018","21.714","0.004","90","","98.955","0.004","90","","2276.4","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-Bis[acetone (2-oxidobenzoyl)hydrazone-κ^2^N,O]diaquazinc(II)","","- C20 H26 N4 O6 Zn -","- C20 H26 N4 O6 Zn -","- C80 H104 N16 O24 Zn4 -","4","0.5","OB2049","Li, Ming-Xue; Zhou, Jing; Yan, Lin; Wang, Jing-Ping","<i>trans</i>-Bis[acetone (2-oxidobenzoyl)hydrazonato-κ^2^<i>N</i>,<i>O</i>]diaquazinc(II)","Acta Crystallographica Section E","2006","62","9","m2321","m2322","10.1107/S1600536806033150","","","0.71073","MoKα","","0.0668","0.0429","","","0.0922","0.0999","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210357","17.75","0.004","6.372","0.0013","31.761","0.006","90","","101.55","0.03","90","","3519.5","1.3","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-(4-Fluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiazolidin- 4-one","","- C18 H14 F N3 O2 S2 -","- C18 H14 F N3 O2 S2 -","- C144 H112 F8 N24 O16 S16 -","8","1","OB2050","Wan, Rong; Wu, Feng; Han, Feng; Guan, Jian-Ling; Zhang, Jin-Jun; Wang, Jin-Tang","2-(4-Fluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiazolidin-4-one","Acta Crystallographica Section E","2006","62","9","o3984","o3985","10.1107/S1600536806032636","","","0.71073","MoKα","","0.0796","0.0528","","","0.1277","0.1458","","","","","","1.105","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210358","8.562","0.003","14.548","0.005","17.323","0.007","66.2","0.006","85.955","0.006","75","0.006","1905.6","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(5,5-Diphenylhydantoinato-κN^3^)[tris(3-aminopropyl)amine]copper(II) 5,5-diphenylhydantoinate methanol solvate","","- C40 H50 Cu N8 O5 -","- C40 H50 Cu N8 O5 -","- C80 H100 Cu2 N16 O10 -","2","1","OB2053","Xi-Lan Hu; Xing-You Xu; Tong-Tao Xu; Da-Qi Wang","(5,5-Diphenylhydantoinato-κ<i>N</i>^3^)[tris(3-aminopropyl)amine]copper(II) 5,5-diphenylhydantoinate methanol solvate","Acta Crystallographica Section E","2006","62","9","m2352","m2353","10.1107/S1600536806034027","","","0.71073","MoKα","","0.1752","0.0753","","","0.1694","0.2519","","","","","","0.991","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210359","11.798","0.0011","18.5558","0.0017","17.6429","0.0017","90","","92.964","0.002","90","","3857.2","0.6","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N^3^,N^3'^)nickel(II) (pyridine-2,6-dicarboxylato-κ^3^O,N,O')nickel(II) pentahydrate","","- C26 H32 N10 Ni2 O15 S4 -","- C26 H30 N10 Ni2 O15 S4 -","- C104 H120 N40 Ni8 O60 S16 -","4","1","OM2038","Liang-Jun Zhang; Bing-Xin Liu; Hang-Qun Ge; Duan-Jun Xu","Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)nickel(II) (pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')nickelate(II) pentahydrate","Acta Crystallographica Section E","2006","62","9","m2180","m2182","10.1107/S1600536806031473","","","0.71073","MoKα","","0.104","0.054","","","0.12","0.143","","","","","","1.049","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210360","7.0041","0.0008","8.1023","0.0009","10.2114","0.0012","91.433","0.009","93.906","0.009","104.3","0.009","559.71","0.11","296","","296","","","","","","","","","5","P -1","-P 1","2","3-(4-fluoroanilino)phthalide","3-(4-fluoroanilino)isobenzofuran-1(3H)-one","","- C14 H10 F N O2 -","- C14 H10 F N O2 -","- C28 H20 F2 N2 O4 -","2","1","OM2039","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(4-Fluoroanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","9","o4138","o4139","10.1107/S1600536806031783","","","0.71073","MoKα","","0.0747","0.0498","","","0.1227","0.1333","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210361","9.83","0.001","9.609","0.001","16.819","0.002","90","","90.95","0.01","90","","1588.4","0.3","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C7 H9 N O4 -","- C7 H9 N O4 -","- C56 H72 N8 O32 -","8","1","OM2042","Silva, Luiz Everson da; Joussef, Antonio Carlos; Silva, Luciano Luiz; Foro, Sabine; Schmidt, Boris","5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2006","62","9","o3866","o3867","10.1107/S1600536806031503","","","1.5418","CuKα","","0.061","0.0368","","","0.0929","0.1027","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210362","10.838","0.003","25.941","0.005","11.698","0.003","90","","93.119","0.011","90","","3284","1.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Cd N4 O7 -","- C38 H28 Cd N4 O7 -","- C152 H112 Cd4 N16 O28 -","4","1","OM2044","Tian-Tian Pan; Jian-Rong Su; Duan-Jun Xu","Bis(2-hydroxybenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) monohydrate","Acta Crystallographica Section E","2006","62","9","m2183","m2185","10.1107/S1600536806031655","","","0.71073","MoKα","","0.045","0.036","","","0.103","0.107","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210363","21.232","0.003","9.0912","0.0013","11.1534","0.0017","90","","98.243","0.002","90","","2130.6","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[5-(4-Chlorophenyl)-2-methyl-3-thienyl]-2-(2,5-dimethyl-3-thienyl)- 3,3,4,4,5,5-hexafluorocyclopent-1-ene","","- C22 H15 Cl F6 S2 -","- C22 H15 Cl F6 S2 -","- C88 H60 Cl4 F24 S8 -","4","1","OM2045","Pu, Shou-Zhi; Zheng, Tong; Xu, Jing-Kun; Liu, Gang","1-[5-(4-Chlorophenyl)-2-methyl-3-thienyl]-2-(2,5-dimethyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene: a new photochromic diarylethene compound","Acta Crystallographica Section E","2006","62","9","o3986","o3988","10.1107/S1600536806031771","","","0.71073","MoKα","","0.0761","0.0395","","","0.0975","0.1144","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210364","7.4817","0.0002","8.5739","0.0002","9.818","0.003","111.973","0.002","91.661","0.002","114.566","0.002","518.31","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","N'-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]-N,N-dimethyliminoformamide","6-Chloro-4-(dimethylaminomethyleneamino)-2-(methylsulfanyl)pyrimidine","","- C8 H11 Cl N4 S -","- C8 H11 Cl N4 S -","- C16 H22 Cl2 N8 S2 -","2","1","OM2046","Torre, José M. de la; Cobo, Justo; Nogueras, Manuel; Low, John Nicolson","6-Chloro-4-(dimethylaminomethyleneamino)-2-(methylsulfanyl)pyrimidine","Acta Crystallographica Section E","2006","62","9","o3910","o3911","10.1107/S1600536806032004","","","0.71069","MoKα","","0.05","0.0401","","","0.0967","0.1057","","","","","","1.131","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210365","7.1414","0.0009","14.3837","0.0017","15.467","0.0019","90","","92.906","0.002","90","","1586.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Acetonitrilebis(nitrato-κ^2^O,O')(1,10-phenanthroline)cobalt(II)","","- C14 H11 Co N5 O6 -","- C14 H11 Co N5 O6 -","- C56 H44 Co4 N20 O24 -","4","1","OM2047","Thébault, Frédéric; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Acetonitrilebis(nitrato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline)cobalt(II)","Acta Crystallographica Section E","2006","62","9","m2301","m2302","10.1107/S1600536806032016","","","0.71073","MoKα","","0.0685","0.0358","","","0.0627","0.0693","","","","","","0.88","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210366","8.869","0.002","10.552","0.002","17.902","0.004","90","","90","","90","","1675.4","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","rel-(1R,4R,9R)-1-Acetyl-9-(1-piperidinyl)-1,4-dihydro-1,4-ethanonaphthalene- 9-carbonitrile","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","OM2049","Döpp, Dietrich; Kruse, Claudia; Flörke, Ulrich; Henkel, Gerald","<i>rel</i>-(1<i>R</i>,4<i>R</i>,9<i>R</i>)-1-Acetyl-9-(1-piperidinyl)-1,4-dihydro-1,4-ethanonaphthalene-9-carbonitrile","Acta Crystallographica Section E","2006","62","9","o3904","o3906","10.1107/S160053680603203X","","","0.71073","MoKα","","0.038","0.0324","","","0.0768","0.0802","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210367","6.5439","0.0001","9.8794","0.0001","23.036","0.0003","90","","97.451","0.001","90","","1476.7","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(Phenylsulfonyl)perhydrothiazolo[3,4-a]pyrrolo[4,5-c]pyrrole","","- C14 H18 N2 O2 S2 -","- C14 H18 N2 O2 S2 -","- C56 H72 N8 O8 S8 -","4","1","OM2051","G. Senthil Kumar; K. Chinnakali; M. Poornachandran; R. Raghunathan; Hoong-Kun Fun","5-(Phenylsulfonyl)perhydrothiazolo[3,4-<i>a</i>]pyrrolo[4,5-<i>c</i>]pyrrole","Acta Crystallographica Section E","2006","62","9","o3951","o3953","10.1107/S1600536806032259","","","0.71073","MoKα","","0.0514","0.0356","","","0.0947","0.1064","","","","","","1.07","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210368","14.6372","0.0003","5.0029","0.0002","15.2723","0.0003","90","","110.318","0.002","90","","1048.78","0.05","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-iodo-4-nitro-N-(trifluoroacetyl)aniline","","- C8 H4 F3 I N2 O3 -","- C8 H4 F3 I N2 O3 -","- C32 H16 F12 I4 N8 O12 -","4","1","RN2011","Garden, Simon J.; Wardell, James L.; Low, John N.; Skakle, Janet M. S.; Glidewell, Christopher","2-Iodo-4-nitro-<i>N</i>-(trifluoroacetyl)aniline: sheets built from iodo‒nitro and nitro‒nitro interactions","Acta Crystallographica Section E","2006","62","9","o3762","o3764","10.1107/S1600536806029072","","","0.71073","MoKα","","0.0235","0.0211","","","0.0485","0.0501","","","","","","1.144","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210369","20.996","0.008","11.835","0.005","9.958","0.004","90","","110.161","0.005","90","","2322.8","1.6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[bis(μ-3,5-dimethylbenzoato)(μ-4,4'-pyridine)manganese]","","- C28 H26 Mn N2 O4 -","- C28 H26 Mn N2 O4 -","- C112 H104 Mn4 N8 O16 -","4","0.5","SA2005","Miao-Ling Huang","A two-dimensional manganese coordination polymer: poly[bis(μ-3,5-dimethylbenzoato)(μ-4,4'-pyridine)manganese(II)]","Acta Crystallographica Section E","2006","62","9","m2075","m2076","10.1107/S1600536806029527","","","0.71073","MoKα","","0.0426","0.0334","","","0.1078","0.113","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210370","7.7014","0.0019","8.831","0.002","10.849","0.003","83.894","0.004","70.965","0.004","78.118","0.004","681.9","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","4,5,6-trimethyl-2-((phenylsulfonyl)amino)pyrimidine","","- C13 H15 N3 O2 S -","- C13 H15 N3 O2 S -","- C26 H30 N6 O4 S2 -","2","1","SG2049","Li, Gong-Chun; Yang, Feng-Ling","4,5,6-Trimethyl-2-(phenylsulfonylamino)pyrimidine","Acta Crystallographica Section E","2006","62","9","o4154","o4155","10.1107/S1600536806033472","","","0.71073","MoKα","","0.0672","0.0441","","","0.1146","0.1301","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210371","7.4308","0.0015","7.8556","0.0016","24.569","0.005","90","","100.322","0.006","90","","1411","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-N-[3-(2-nitrophenyl)allylidene]aniline","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","SG2050","Xiao-Yan Yang; Ying Li; Xiao-Lian He; Sai Bi; Shu-Sheng Zhang","4-Methoxy-<i>N</i>-[3-(2-nitrophenyl)allylidene]aniline","Acta Crystallographica Section E","2006","62","9","o4070","o4071","10.1107/S1600536806033484","","","0.71073","MoKα","","0.1006","0.0556","","","0.1206","0.1436","","","","","","1.001","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210372","11.4895","0.0008","15.7158","0.0011","22.1792","0.0016","90","","90","","90","","4004.8","0.5","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","C~19~H~16~Cl~2~NO~5~P","Dimethyl [(3,7-dichloroquinolin-8-ylcarbonyloxy)(phenyl)methyl]phosphonate","","- C19 H16 Cl2 N O5 P -","- C19 H16 Cl2 N O5 P -","- C152 H128 Cl16 N8 O40 P8 -","8","1","SJ2071","Liang, Ying; He, Hong-Wu; Wang, Ya-Zhou; Chen, Ting","Dimethyl [(3,7-dichloroquinolin-8-ylcarbonyloxy)(phenyl)methyl]phosphonate","Acta Crystallographica Section E","2006","62","9","o3652","o3654","10.1107/S1600536806019039","","","0.71073","MoKα","","0.0722","0.0515","","","0.1193","0.1305","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210373","19.126","0.004","12.098","0.003","21.528","0.005","90","","93.876","0.004","90","","4970","2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis[5-(3,4-difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5- hexafluorocyclopent-1-ene","","- C27 H14 F10 S2 -","- C27 H14 F10 S2 -","- C216 H112 F80 S16 -","8","2","SJ2092","Liu, Gang; Pu, Shou-Zhi; Xu, Jing-Kun","1,2-Bis[5-(3,4-difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene","Acta Crystallographica Section E","2006","62","9","o4123","o4125","10.1107/S1600536806033629","","","0.71073","MoKα","","0.1006","0.0523","","","0.1251","0.1521","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210374","20.765","0.001","20.765","0.001","10.453","0.001","90","","90","","120","","3903.3","0.5","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","Tris[N-2-(nitrobenzylideneamino)ethyl]amine","","- C27 H27 N7 O6 -","- C27 H27 N7 O6 -","- C162 H162 N42 O36 -","6","0.333333","SJ2093","McKee, Vickie; Morgan, Grace G,; Nelson, Jane","Tris[2-(2-nitrobenzylideneamino)ethyl]amine","Acta Crystallographica Section E","2006","62","9","o3747","o3749","10.1107/S1600536806030492","","","0.71073","MoKα","","0.0724","0.0467","","","0.1068","0.1184","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210375","5.582","0.011","23.835","0.005","11.773","0.002","90","","90.93","0.03","90","","1566","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-Hydroxybenzylideneamino)acetophenone thiosemicarbazone","","- C16 H16 N4 O S -","- C16 H16 N4 O S -","- C64 H64 N16 O4 S4 -","4","1","SJ2094","Ying-Ying Liu; Jian-Fang Ma; Ji-Cheng Ma","4-(2-Hydroxybenzylideneamino)acetophenone thiosemicarbazone","Acta Crystallographica Section E","2006","62","9","o3788","o3789","10.1107/S1600536806030753","","","0.71073","MoKα","","0.142","0.0443","","","0.0748","0.0873","","","","","","0.816","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210376","3.7185","0.0008","13.942","0.003","13.571","0.003","90","","99.059","0.006","90","","694.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(4-nitrophenyl)oxalamide","","- C14 H10 N4 O6 -","- C14 H10 N4 O6 -","- C28 H20 N8 O12 -","2","0.5","SJ2095","Yong-Hong Wen; Xin Shen; Sai Bi; Shu-Sheng Zhang","<i>N</i>,<i>N</i>'-Bis(4-nitrophenyl)oxamide","Acta Crystallographica Section E","2006","62","9","o3780","o3781","10.1107/S1600536806030716","","","0.71073","MoKα","","0.0698","0.0484","","","0.1089","0.1197","","","","","","1.066","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210377","5.6357","0.0016","9.177","0.003","10.308","0.003","90","","98.95","0.004","90","","526.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-sulfonato-L-phenylalaninium","","- C9 H11 N O5 S -","- C9 H11 N O5 S -","- C18 H22 N2 O10 S2 -","2","1","SJ2096","E Yang; Fa-Fu Yang","<small>L</small>-Phenylalaninium 4-sulfonate","Acta Crystallographica Section E","2006","62","9","o3895","o3896","10.1107/S1600536806031291","","","0.71073","MoKα","","","0.0253","","","0.0661","0.0665","","","","","","1.031","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210378","10.4806","0.0001","10.6106","0.0001","16.8245","0.0002","90","","94.055","0.001","90","","1866.29","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Fluorophenyl)-5-(phenylsulfonyl)perhydro-1,3-thiazolo[3,4-a]pyrrolo[4,5- c]pyrrole","","- C20 H21 F N2 O2 S2 -","- C20 H21 F N2 O2 S2 -","- C80 H84 F4 N8 O8 S8 -","4","1","SJ2097","G. Senthil Kumar; K. Chinnakali; M. Poornachandran; R. Raghunathan; Hoong-Kun Fun","2-(4-Fluorophenyl)-5-(phenylsulfonyl)perhydro-1,3-thiazolo[3,4-<i>a</i>]pyrrolo[4,5-<i>c</i>]pyrrole","Acta Crystallographica Section E","2006","62","9","o3981","o3983","10.1107/S1600536806031035","","","0.71073","MoKα","","0.0457","0.0368","","","0.0945","0.0998","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210379","6.938","0.001","15.202","0.001","15.906","0.001","90","","94.058","0.001","90","","1673.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{4-Bromo-2-[3-(dimethylamino)propyliminomethyl]phenolato}dichlorozinc(II)","","- C12 H17 Br Cl2 N2 O Zn -","- C12 H17 Br Cl2 N2 O Zn -","- C48 H68 Br4 Cl8 N8 O4 Zn4 -","4","1","SJ2098","Xiao-Yang Qiu","{4-Bromo-2-[3-(dimethylamino)propyliminomethyl]phenolato}dichlorozinc(II)","Acta Crystallographica Section E","2006","62","9","m2173","m2174","10.1107/S160053680603145X","","","0.71073","MoKα","","0.0818","0.0496","","","0.1181","0.1386","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210380","11.879","0.002","11.478","0.002","12.612","0.002","90","","115.077","0.003","90","","1557.5","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro{4-nitro-2-[2-(ethylamino)ethyliminomethyl]phenolato}zinc(II)","","- C11 H15 Cl2 N3 O3 Zn -","- C11 H15 Cl2 N3 O3 Zn -","- C44 H60 Cl8 N12 O12 Zn4 -","4","1","SJ2099","Xiao-Yang Qiu","Dichloro{2-[2-(ethylamino)ethyliminomethyl]-4-nitrophenolato}zinc(II)","Acta Crystallographica Section E","2006","62","9","m2175","m2176","10.1107/S1600536806031461","","","0.71073","MoKα","","0.1176","0.0594","","","0.1177","0.1377","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210381","12.442","0.0007","3.8185","0.0001","18.269","0.001","90","","100.125","0.002","90","","854.44","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 5-fluoro-1H-indole-2-carboxylate","","- C10 H8 F N O2 -","- C10 H8 F N O2 -","- C40 H32 F4 N4 O8 -","4","1","SJ2100","Harrison, William T. A.; Yathirajan, H. S.; Ashalatha, B. V.; Vijaya Raj, K. K.; Narayana, B.","Methyl 5-fluoro-1<i>H</i>-indole-2-carboxylate","Acta Crystallographica Section E","2006","62","9","o4050","o4051","10.1107/S1600536806031448","","","0.71073","MoKα","","0.0795","0.0424","","","0.0959","0.1104","","","","","","1.033","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2210382","15.4526","0.0003","13.0266","0.0004","15.757","0.0003","90","","108.205","0.002","90","","3013.04","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BAlq-13","Bis(2-methyl-8-quinolinolato)(2,6-diphenylphenolato)aluminium(III)","","- C38 H29 Al N2 O3 -","- C38 H29 Al N2 O3 -","- C152 H116 Al4 N8 O12 -","4","1","SJ2101","Rajeswaran, Manju; Place, David W.; Sathiosatham, Muhunthan; Deaton, Joseph C.; Brown, Christopher T.; Lenhart, William C.","Bis(2,6-diphenylphenolato)(2-methylquinolin-8-olato)aluminium(III)","Acta Crystallographica Section E","2006","62","9","m2216","m2217","10.1107/S160053680603162X","","","0.71073","MoKα","","0.0643","0.0423","","","0.1061","0.1187","","","","","","1.043","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210383","4.0243","0.0005","14.3117","0.0012","11.1107","0.0012","90","","94.002","0.009","90","","638.36","0.12","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","3-(4-acetylanilino)phthalide","3-(4-acetylanilino)isobenzofuran-1(3H)-one","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C32 H26 N2 O6 -","2","1","SJ2102","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(4-Acetylanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","9","o4145","o4147","10.1107/S1600536806032570","","","0.71073","MoKα","","0.0372","0.0293","","","0.0678","0.0713","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210384","9.6389","0.0009","7.7222","0.0005","17.3829","0.0015","90","","105.072","0.007","90","","1249.36","0.18","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-[2-(trifluoromethyl)anilino]phthalide","3-[2-(trifluoromethyl)anilino]isobenzofuran-1(3H)-one","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C60 H40 F12 N4 O8 -","4","1","SJ2103","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-[2-(Trifluoromethyl)anilino]isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","9","o4148","o4150","10.1107/S1600536806032582","","","0.71073","MoKα","","0.0668","0.043","","","0.1021","0.1129","","","","","","1.025","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210385","18.681","0.0011","9.043","0.0007","13.695","0.0009","90","","117.046","0.009","90","","2060.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Pyridoxinium Nitrate","Pyridoxinium nitrate","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C64 H96 N16 O48 -","8","1","SJ2104","S. Athimoolam; S. Natarajan","Pyridoxinium nitrate","Acta Crystallographica Section E","2006","62","9","o4027","o4029","10.1107/S1600536806031965","","","0.71069","MoKα","","0.057","0.0413","","","0.1185","0.1291","","","","","","1.087","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210386","14.603","0.002","5.0837","0.0007","24.349","0.003","90","","107.143","0.003","90","","1727.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-Ethoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","SJ2105","Yong-Hong Wen; Li-Li Xu; Sai Bi; Shu-Sheng Zhang","<i>N</i>-(4-Ethoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate","Acta Crystallographica Section E","2006","62","9","o3932","o3933","10.1107/S1600536806032260","","","0.71073","MoKα","","0.1241","0.0565","","","0.1095","0.1352","","","","","","0.988","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210387","17.79","0.003","7.253","0.006","6.137","0.005","90","","92.653","0.007","90","","791","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(5-chloro-2-hydroxybenzylidene)ethane-1,2-diamine","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C32 H28 Cl4 N4 O4 -","2","0.5","SJ2106","Zhang, Xin-Li; Li, Zong-Xiao","<i>N</i>,<i>N</i>'-Bis(5-chloro-2-hydroxybenzylidene)ethane-1,2-diamine","Acta Crystallographica Section E","2006","62","9","o4012","o4013","10.1107/S1600536806032880","","","0.71073","MoKα","","0.2055","0.0918","","","0.1598","0.1957","","","","","","1.068","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210388","6.9247","0.0012","7.643","0.0014","10.4772","0.0019","105.782","0.008","90.136","0.008","107.769","0.007","505.94","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(E)-O-Ethyl N-(4-nitrophenyl)thiocarbamate","","- C9 H10 N2 O3 S -","- C9 H10 N2 O3 S -","- C18 H20 N4 O6 S2 -","2","1","SJ2107","Benson, Ronald E.; Broker, Grant A.; Daniels, Lee M.; Tiekink, Edward R. T.; Wardell, James L.; David J. Young","(<i>E</i>)-<i>O</i>-Ethyl <i>N</i>-(4-nitrophenyl)thiocarbamate","Acta Crystallographica Section E","2006","62","9","o4106","o4108","10.1107/S1600536806033058","","","0.7107","MoKα","","0.054","0.052","","","0.161","0.162","","","","","","1.1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210389","7.829","0.0004","8.3791","0.0004","10.2443","0.0003","69.572","0.004","70.383","0.003","79.963","0.004","591.97","0.05","299","","","","","","","","","","","4","P -1","-P 1","2","","2-Bromofumaric acid","","- C4 H3 Br O4 -","- C4 H3 Br O4 -","- C16 H12 Br4 O16 -","4","2","SJ2110","Fischer, Andreas","2-Bromofumaric acid","Acta Crystallographica Section E","2006","62","9","o4190","o4191","10.1107/S160053680603368X","","","0.71073","MoKα","","0.0749","0.0371","","","0.0633","0.0722","","","","","","1.054","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210390","13.446","0.001","13.446","","27.98","0.002","90","","90","","90","","5058.6","0.5","295","2","295","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","Poly[[bis(μ~2~-3,5-diamino-1,2,4-triazole)- κ^2^<i>N</i>^2^:<i>N</i>^4^;κ^2^<i>N</i>^4^:<i>N</i>^2^- μ~2~-sulfato-κ^2^<i>O</i>:<i>O</i>'-cadmium(II)] monohydrate]","","- C4 H12 Cd N10 O5 S -","- C4 H12 Cd N10 O5 S -","- C64 H192 Cd16 N160 O80 S16 -","16","1","TK2060","Zhang, Guo-Fang; Zhao, Shu-Min; She, Jiang-Bo; Ng, Seik Weng","Poly[[bis(μ~2~-3,5-diamino-1,2,4-triazole)-κ^2^<i>N</i>^2^:<i>N</i>^4^;κ^2^<i>N</i>^4^:<i>N</i>^2^-μ~2~-sulfato-κ^2^<i>O</i>:<i>O</i>'-cadmium(II)] monohydrate]","Acta Crystallographica Section E","2006","62","9","m2148","m2150","10.1107/S1600536806029096","","","0.71073","MoKα","","0.034","0.032","","","0.082","0.085","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210391","32.49","0.004","6.2231","0.0008","22.533","0.003","90","","128.605","0.002","90","","3560.3","0.8","292","2","292","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1-(4-tert-Butylphenyl)-3-hydroxy-3-(2-naphthyl)prop-2-en-1-one","","- C23 H22 O2 -","- C23 H22 O2 -","- C184 H176 O16 -","8","1","TK2062","Dun-Jia Wang; Chun-Yang Zheng; Ling Fan","1-(4-<i>tert</i>-Butylphenyl)-3-hydroxy-3-(2-naphthyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o3681","o3682","10.1107/S1600536806029084","","","0.71073","MoKα","","0.084","0.061","","","0.15","0.164","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210392","13.02","0.01","5.447","0.005","14.52","0.01","90","","97.34","0.04","90","","1021.3","1.4","123","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Aqua(di-2-pyridylamine-κ^2^N^2^,N^2'^)(D-gluconato-κ^2^O,O')copper(II) trihydrate","","- C16 H27 Cu N3 O11 -","- C16 H27 Cu N3 O11 -","- C32 H54 Cu2 N6 O22 -","2","1","TK2064","Masahiro Yodoshi; Mamiko Odoko; Nobuo Okabe","Aqua(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)(<small>D</small>-gluconato-κ^2^<i>O</i>,<i>O</i>')copper(II) trihydrate","Acta Crystallographica Section E","2006","62","9","m2021","m2023","10.1107/S1600536806029102","","","0.7107","MoKα","","","0.045","","","","0.086","","","","","","0.853","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2210393","12.265","0.003","12.542","0.002","10.98","0.002","90","","93.59","0.02","90","","1685.7","0.6","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","catena-Poly[[diphenylethyltin(IV)]-μ-chlorocetato-κ^2^O:O']","","- C16 H17 Cl O2 Sn -","- C16 H17 Cl O2 Sn -","- C64 H68 Cl4 O8 Sn4 -","4","1","TK2065","Amini, Mostafa M.; Alijani, Vajihe; Azadmeher, Amirreza; Khavasi, Hamidreza; Ng, Seik Weng","<i>catena</i>-Poly[[diphenylethyltin(IV)]-μ-chloroacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","9","m2028","m2029","10.1107/S1600536806029114","","","0.71073","MoKα","","0.026","0.024","","","0.059","0.061","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210394","4.7111","0.0006","24.857","0.003","30.823","0.004","90","","90","","90","","3609.5","0.8","292","2","292","2","","","","","","","","4","P b c 21","P 2c -2b","29","","Bis(benzimidazol-2-ylmethyl)amine tetrahydrate","","- C16 H23 N5 O4 -","- C16 H23 N5 O4 -","- C128 H184 N40 O32 -","8","2","TK2069","Meng, Xiang-Gao; Mei, Fu-Sheng; Liao, Zhan-Ru","Bis(benzimidazol-2-ylmethyl)amine tetrahydrate","Acta Crystallographica Section E","2006","62","9","o4120","o4122","10.1107/S1600536806033721","","","0.71073","Mokα","","0.077","0.068","","","0.155","0.16","","","","","","1.17","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210395","6.2645","0.0006","8.2382","0.0008","9.1458","0.0008","68.743","0.002","88.273","0.001","87.467","0.001","439.4","0.07","153","0.1","297","2","","","","","","","","6","P 1","P 1","1","","2-[(E)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 0.59-chloride 0.41-iodide monohydrate","","- C19 H20 Cl0.59 I0.41 N O3 -","- C19 H20 Cl0.588 I0.412 N O3 -","- C19 H20 Cl0.588 I0.412 N O3 -","1","1","TK2070","Suchada Chantrapromma; Boonwasana Jindawong; Hoong-Kun Fun","2-[(<i>E</i>)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 0.59-chloride 0.41-iodide monohydrate","Acta Crystallographica Section E","2006","62","9","o4004","o4006","10.1107/S1600536806032569","","","0.71073","MoKα","","0.05","0.048","","","0.122","0.125","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210396","8.7219","0.0007","17.3525","0.0019","12.2719","0.0014","90","","92.457","0.009","90","","1855.6","0.3","293","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Poly[[μ-aquatetra-μ-thiocyanato-cadmium(II)mercury(II)] sulfolane solvate]","","- C8 H10 Cd Hg N4 O3 S5 -","- C8 H10 Cd Hg N4 O3 S5 -","- C32 H40 Cd4 Hg4 N16 O12 S20 -","4","1","TK2074","Wang, Xin-Qiang; Yu, Wen-Tao; Hou, Xian-Qin; Xu, Dong; Geng, Yan-Ling","Poly[[μ-aqua-tetra-μ-thiocyanato-cadmium(II)mercury(II)] sulfolane solvate]","Acta Crystallographica Section E","2006","62","9","m2333","m2335","10.1107/S1600536806033927","","","0.71073","MoKα","","0.069","0.039","","","0.071","0.08","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210397","9.793","0.003","9.793","0.003","11.865","0.003","68.361","0.003","68.361","0.003","69.17","","950.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","5-[(4-Bromophenyl)methyleneimino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]- 1H-pyrazole-3-carbonitrile","","- C18 H8 Br Cl2 F3 N4 -","- C18 H8 Br Cl2 F3 N4 -","- C36 H16 Br2 Cl4 F6 N8 -","2","1","WK2012","Li, Shu-Yan; Zhong, Ping; Hu, Mao-Lin; Luo, Yi; Li, Jin-Hai","5-[(4-Bromophenyl)methyleneimino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2006","62","9","o3821","o3822","10.1107/S1600536806030947","","","0.71073","MoKα","","0.1197","0.0721","","","0.1627","0.1923","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210398","8.199","0.002","14.468","0.003","13.245","0.003","90","","90","","90","","1571.2","0.6","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Styryl(2-hydroxy-3-iodo-4,6-dimethoxyphenyl)ketone","","- C17 H15 I O4 -","- C17 H15 I O4 -","- C68 H60 I4 O16 -","4","1","WK2020","Gao, Shan; Ng, Seik Weng","1-(2-Hydroxy-3-iodo-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o3610","o3611","10.1107/S1600536806028984","","","0.71073","MoKα","","0.0295","0.027","","","0.066","0.067","","","","","","1.1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210399","9.059","0.004","13.679","0.005","10.8","0.005","90","","101.88","0.01","90","","1309.6","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua[N^1^-(2-oxidobenzylideneamino)-3-azapentane-1,5-diamine]iron(II) chloride","","- C11 H18 Cl Fe N3 O2 -","- C11 H18 Cl Fe N3 O2 -","- C44 H72 Cl4 Fe4 N12 O8 -","4","1","WK2021","Chen, Kun; Wang, Jian-Hua","Aqua[<i>N</i>^1^-(2-oxidobenzylideneamino)-3-azapentane-1,5-diamine]iron(II) chloride","Acta Crystallographica Section E","2006","62","9","m2305","m2306","10.1107/S1600536806033241","","","0.71073","MoKα","","0.0562","0.0448","","","0.1135","0.1216","","","","","","1.081","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210400","7.1469","0.0002","7.1469","0.0002","7.1469","0.0002","90","","90","","90","","365.051","0.018","100","2","100","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ytterbium indium rhodium tetracopper","","- Cu4 In0.81 Rh0.19 Yb -","- Cu4 In0.81 Rh0.19 Yb -","- Cu16 In3.24 Rh0.76 Yb4 -","4","0.0416667","WM2024","Bobev, Svilen; Fritsch, Veronika","On the stoichiometry breadth of YbIn~1{-~<i>x</i>}Rh~<i>x~</i>Cu~4~ [<i>x</i> = 0.19(3)]","Acta Crystallographica Section E","2006","62","9","i182","i183","10.1107/S1600536806029941","","","0.71073","MoKα","","0.0144","0.0144","","","0.0358","0.0358","","","","","","1.208","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210401","17.738","0.002","12.636","0.001","20.042","0.005","90","","116.114","0.009","90","","4033.6","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dipotassium tetrasodium decavanadate octadecahydrate","","- H36 K2 Na4 O46 V10 -","- H32 K2 Na4 O46 V10 -","- H128 K8 Na16 O184 V40 -","4","0.5","WM2025","Lee, Uk","Dipotassium tetrasodium decavanadate octadecahydrate","Acta Crystallographica Section E","2006","62","9","i176","i178","10.1107/S1600536806029382","","","0.71069","MoKα","","0.0763","0.0455","","","0.1027","0.1241","","","","","","1.096","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210402","4.3966","0.0009","4.3966","0.0009","7.171","0.003","90","","90","","120","","120.05","0.06","120","2","120","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","magnesium zinc diantimony","","- Mg1.59 Sb2 Zn1.41 -","- Mg1.594 Sb2 Zn1.406 -","- Mg1.594 Sb2 Zn1.406 -","1","0.0833333","WM2027","Xia, Sheng-Qing; King, Paul; Bobev, Svilen","Mg and Zn disorder in Mg~1.59(1)~Zn~1.41(1)~Sb~2~","Acta Crystallographica Section E","2006","62","9","i184","i186","10.1107/S1600536806029953","","","0.71073","MoKα","","0.0116","0.0113","","","0.0284","0.0287","","","","","","1.287","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210403","7.8216","0.0005","12.9012","0.0009","14.732","0.001","90","","90","","90","","1486.58","0.17","291","2","291","2","","","","","","","","5","I b a m","-I 2 2c","72","","4,4'-Bipyridinium tetrachloroaurate(III) chloride","","- C10 H10 Au Cl5 N2 -","- C10 H10 Au Cl5 N2 -","- C40 H40 Au4 Cl20 N8 -","4","0.25","WM2030","Zhang, Xiang-Pei; Yang, Guang; Ng, Seik Weng","4,4'-Bipyridinium tetrachloroaurate(III) chloride","Acta Crystallographica Section E","2006","62","9","m2018","m2020","10.1107/S1600536806029199","","","0.71073","MoKα","","0.024","0.022","","","0.06","0.061","","","","","","1.15","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210404","19.7253","0.0012","12.4764","0.0008","7.0284","0.0002","90","","90","","90","","1729.69","0.16","293","2","","","","","","","","","","5","I b c a","-I 2b 2c","73","","Dipotassium bismuth phosphate tungstate","","- Bi K2 O8 P W -","- Bi K2 O8 P W -","- Bi8 K16 O64 P8 W8 -","8","0.5","WM2034","Igor V. Zatovsky; Katherina V. Terebilenko; Nikolay S. Slobodyanik; Vyacheslav N. Baumer; Oleg V. Shishkin","K~2~Bi(PO~4~)(WO~4~) with a layered anionic substructure","Acta Crystallographica Section E","2006","62","9","i193","i195","10.1107/S1600536806033265","","","0.71073","MoKα","","","0.0346","","","","0.0936","","","","","","1.184","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210405","6.193","0.003","9.152","0.004","11.167","0.005","90","","90.908","0.005","90","","632.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[μ-cyano-μ-pyrazine-nickel(II)]","","- C5 H4 N3 Ni -","- C5 H4 N3 Ni -","- C20 H16 N12 Ni4 -","4","1","WM2035","Liu, Ying; Dou, Jian-Min; Wang, Da-Qi; Zhang, Xian-Xi; Zhou, Lei","Poly[μ-cyano-μ-pyrazine-nickel(I)]","Acta Crystallographica Section E","2006","62","9","m2159","m2161","10.1107/S1600536806030595","","","0.71073","MoKα","","0.063","0.0402","","","0.1029","0.1157","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210406","10.968","0.002","11.686","0.002","14.895","0.003","72.1","0.03","70.99","0.03","66.9","0.03","1624.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[[hexa-μ~2~hydroxo-hexa-μ~3~oxo-undecaoxochromiumhexamolybdenum]- μ-oxo-[tetra-μ~2~-aqua-hexaaqua-trisodium]-μ-aqua]","","- Cr H32 Mo6 Na3 O37 -","- Cr H26 Mo6 Na3 O37 -","- Cr2 H52 Mo12 Na6 O74 -","2","1","WM2036","Yu, Li; Li, Su-Zhi; Wang, Jing-Ping","[Na~3~(H~2~O)~11~][CrMo~6~O~24~H~6~]·2H~2~O, with an Anderson B-type heteropolyoxoanion","Acta Crystallographica Section E","2006","62","9","i190","i192","10.1107/S1600536806032910","","","0.71073","MoKα","","0.0431","0.0359","","","0.0974","0.1004","","","","","","1.11","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210407","11.66078","0.00013","11.66078","0.00013","11.66078","0.00013","90","","90","","90","","1585.56","0.03","295","2","295","2","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","trirubidium phosphate dodecatungstate","","- O40 P Rb3 W12 -","- O40 P Rb3 W12 -","- O80 P2 Rb6 W24 -","2","0.0416667","WM2037","Mao, Shao-Yu; Ren, Xiao-Xia; Liu, Xiao-Xuan; Mi, Jin-Xiao","Rb~3~PO~4~W~12~O~36~ from X-ray powder data","Acta Crystallographica Section E","2006","62","9","i187","i189","10.1107/S1600536806030832","","","1.5405","CuKα~1~","","","","","","","","","","1.01","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2210408","14.981","0.001","15.423","0.001","11.3884","0.0008","90","","90","","90","","2631.3","0.3","147","2","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","Chloro(p-tolylimido-κN)[N,N'-(trimethylsilyl)ferrocene-1,1'- diaminato-κ^2^N,N']vanadium(V)","","- C23 H33 Cl Fe N3 Si2 V -","- C23 H33 Cl Fe N3 Si2 V -","- C92 H132 Cl4 Fe4 N12 Si8 V4 -","4","0.5","WM2041","Westmoreland, Ian; Arnold, John","Chloro(<i>p</i>-tolylimido-κ<i>N</i>)[<i>N</i>,<i>N</i>'-(trimethylsilyl)ferrocene-1,1'-diaminato-κ^2^<i>N</i>,<i>N</i>']vanadium(V)","Acta Crystallographica Section E","2006","62","9","m2272","m2273","10.1107/S1600536806032648","","","0.7107","MoKα","","0.0431","0.0272","","0.0373","","0.0345","","","","","","1.547","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210409","11.674","0.001","11.674","0.001","9.2545","0.0008","90","","90","","90","","1261.22","0.19","295","2","295","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","poly[ammonium di-μ~2~-oxalato-bismuthate(III) 3.72-hydrate]","","- C4 H11.44 Bi N O11.72 -","- C4 H4 Bi N O11.72 -","- C16 H16 Bi4 N4 O46.88 -","4","0.125","WM2042","Yang, Jun-Ying; Fu, Yun-Long; Chu, Jia; Ng, Seik Weng","Redetermination of ammonium bisoxalatobismuthate(III) <i>x</i>-hydrate from single-crystal data","Acta Crystallographica Section E","2006","62","9","m2310","m2312","10.1107/S1600536806033186","","","0.71073","MoKα","","0.025","0.023","","","0.067","0.068","","","","","","1.13","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210410","9.475","0.004","9.844","0.004","36.821","0.015","90","","90","","90","","3434","2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(Pyridin-2)cyclopropanecarboxamide","","- C9 H10 N2 O -","- C9 H10 N2 O -","- C144 H160 N32 O16 -","16","2","WN2049","Li Tian; Bin Liu","<i>N</i>-(2-Pyridyl)cyclopropanecarboxamide","Acta Crystallographica Section E","2006","62","9","o4183","o4185","10.1107/S1600536806032971","","","0.71073","MoKα","","0.1079","0.0446","","","0.0972","0.1139","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210411","8.813","0.003","10.064","0.003","11.526","0.003","100.522","0.005","99.819","0.005","107.06","0.005","933.2","0.5","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","2-Cyclohexylamino-5,6-dimethyl-3-phenyl-3H-thieno[2,3-d]pyrimidin-4(3H)-one","","- C20 H23 N3 O S -","- C20 H23 N3 O S -","- C40 H46 N6 O2 S2 -","2","1","WN2050","Aihua Zheng; Jing Xu; Yang-Gen Hu","2-Cyclohexylamino-5,6-dimethyl-3-phenyl-3<i>H</i>-thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","9","o3710","o3711","10.1107/S1600536806030248","","","0.71073","MoKα","","0.0576","0.0482","","","0.1302","0.1384","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210412","3.7193","0.0005","16.978","0.002","9.7858","0.001","90","","99.185","0.008","90","","610.01","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pyrazine-2-carbohydrazide","","- C5 H6 N4 O -","- C5 H6 N4 O -","- C20 H24 N16 O4 -","4","1","WN2053","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Pyrazine-2-carbohydrazide: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section E","2006","62","9","o3765","o3767","10.1107/S1600536806029394","","","0.71073","MoKα","","0.0812","0.0593","","","0.1305","0.1384","","","","","","1.082","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210413","11.361","0.005","12.917","0.005","12.186","0.005","90","","95.399","0.005","90","","1780.4","1.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-Bis(2-chlorobenzoyl)-3,4,5,6-tetrahydropyrimidine-2(1H)-thione","","- C18 H14 Cl2 N2 O2 S -","- C18 H14 Cl2 N2 O2 S -","- C72 H56 Cl8 N8 O8 S4 -","4","1","WN2054","Sema Öztürk Yıldırım; Mehmet Akkurt; Murat Genç; Memet Şekerci; H.-K. Fun","1,3-Bis(2-chlorobenzoyl)-3,4,5,6-tetrahydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section E","2006","62","9","o3697","o3698","10.1107/S1600536806030236","","","0.71069","MoKα","","0.1091","0.0528","","","0.1287","0.1859","","","","","","1.078","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210414","23.986","0.005","23.986","0.005","13.842","0.005","90","","90","","90","","7964","4","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Tetra-μ~3~-iodo-tetrakis[(tri-p-tolylphosphine-κP)silver(I)]","","- C84 H84 Ag4 I4 P4 -","- C84 H84 Ag4 I4 P4 -","- C336 H336 Ag16 I16 P16 -","4","0.25","WN2055","Meijboom, Reinout; Muller, Alfred; Roodt, Andreas","Tetra-μ~3~-iodo-tetrakis[(tri-<i>p</i>-tolylphosphine-κ<i>P</i>)silver(I)]","Acta Crystallographica Section E","2006","62","9","m2162","m2164","10.1107/S1600536806031400","","","0.71069","MoKα","","","0.0166","","","","0.0668","","","","","","1.417","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210415","10.0409","0.001","13.2335","0.0013","13.4951","0.0013","117.751","0.002","94.976","0.002","98.865","0.002","1542","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4'-(4-Chlorophenyl)-2'-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin- 2-yl]-1'-methyl-2-phenyl-spiro[1,3-oxazole-4(5H),3'-pyrrolidin]-5-one","","- C35 H30 Cl N3 O4 -","- C35 H30 Cl N3 O4 -","- C70 H60 Cl2 N6 O8 -","2","1","WN2057","A. Subbiahpandi; D. Velmurugan; K. Ravikumar; N. Arumugam; R. Raghunathan","4'-(4-Chlorophenyl)-2'-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-1'-methyl-2-phenyl-spiro[1,3-oxazole-4(5<i>H</i>),3'-pyrrolidin]-5-one","Acta Crystallographica Section E","2006","62","9","o4166","o4168","10.1107/S1600536806033940","","","0.71073","MoKα","","0.0791","0.0589","","","0.1748","0.1926","","","","","","0.909","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210416","7.362","0.009","11.859","0.012","14.481","0.013","89.658","0.006","82.467","0.006","89.604","0.005","1253","2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","(Z)-2-(4-methoxyphenyl)-3-phenylacrylonitrile","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","2","WN2059","Sarala, G.; Kavitha, C. V.; Rangappa, K. S.; Sridhar, M. A.; Shashidhara Prasad, J.","(<i>Z</i>)-2-(4-Methoxyphenyl)-3-phenylacrylonitrile","Acta Crystallographica Section E","2006","62","9","o3998","o4000","10.1107/S1600536806032715","","","0.71073","MoKα","","0.0612","0.0458","","","0.1202","0.1441","","","","","","1.15","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210417","10.5914","0.0001","11.9472","0.0001","14.7234","0.0003","85.2552","0.0006","80.316","0.0006","83.4235","0.0005","1820.6","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","(Dimethylacetamide)(tetraphenylporphyrinato)zinc(II)","","- C48 H37 N5 O Zn -","- C48 H37 N5 O Zn -","- C96 H74 N10 O2 Zn2 -","2","1","WN2064","Sophia Lipstman; Sankar Muniappan; Israel Goldberg","(Dimethylacetamide)(tetraphenylporphyrinato)zinc(II)","Acta Crystallographica Section E","2006","62","9","m2330","m2332","10.1107/S1600536806034064","","","0.71073","MoKα","","0.0445","0.0362","","","0.0908","0.0957","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210418","8.859","0.0018","9.811","0.002","11.706","0.002","86.46","0.03","87.04","0.03","89.89","0.03","1014.1","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","cis-Aquadichloro(1,10-phenanthroline-κ^2^N,N')(thiourea-κS)manganese(II) thiourea solvate","","- C14 H18 Cl2 Mn N6 O S2 -","- C14 H18 Cl2 Mn N6 O S2 -","- C28 H36 Cl4 Mn2 N12 O2 S4 -","2","1","WW2038","Wu, Zhi-Yong; Zhang, Rui; Li, Yan-Tuan; Sun, Wei","<i>cis</i>-Aquadichloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(thiourea-κ<i>S</i>)manganese(II) thiourea solvate","Acta Crystallographica Section E","2006","62","9","m2125","m2127","10.1107/S1600536806030406","","","0.71073","MoKα","","0.0369","0.027","","","0.0658","0.072","","","","","","1.035","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210419","8.3","0.0006","24.534","0.002","9.1356","0.0007","90","","109.66","0.001","90","","1751.9","0.2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(glycolato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')copper(II) dihydrate","","- C16 H18 Cu N2 O8 -","- C16 H18 Cu N2 O8 -","- C64 H72 Cu4 N8 O32 -","4","0.5","WW2039","Du, Lin; Zhang, Yu-Hua; Fang, Rui-Bing; Zhao, Qi-Hua","Bis(glycolato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dihydrate","Acta Crystallographica Section E","2006","62","9","m2227","m2229","10.1107/S1600536806032028","","","0.71073","MoKα","","0.0224","0.021","","","0.0583","0.0589","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210420","7.9892","0.0013","8.0899","0.0013","8.2075","0.0013","67.089","0.003","83.871","0.003","62.738","0.003","432.68","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","3H-furo[3,4-c]isochromene-1,5-dione","3H-furo[3,4-c]isochromene-1,5-dione","","- C11 H6 O4 -","- C11 H6 O4 -","- C22 H12 O8 -","2","1","WW2041","Qadeer, Ghulam; Rama, Nasim Hasan; Hussain, Muhammad Tahir; Wong, Wai-Yeung","3<i>H</i>-Furo[3,4-<i>c</i>]isochromene-1,5-dione","Acta Crystallographica Section E","2006","62","9","o4022","o4023","10.1107/S1600536806032399","","","0.71073","MoKα","","0.0452","0.0335","","","0.0888","0.0962","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210421","18.9433","0.0013","20.9992","0.0013","15.4852","0.001","90","","95.12","0.003","90","","6135.3","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(Acetonitrile)(4'-phenyl-2,2':6',2''-terpyridine)bis(tri-<i>n</i>-butyl- phosphine)ruthenium(II) bis(hexafluorophosphate) dichloromethane solvate","","- C48 H74 Cl2 F12 N4 P4 Ru -","- C48 H72 Cl2 F12 N4 P4 Ru -","- C192 H288 Cl8 F48 N16 P16 Ru4 -","4","0.5","WW2042","Kan, Jian; Zhang, Li-Yi; Gao, Li-Bin; Shi, Lin-Xi; Chen, Zhong-Ning","(Acetonitrile)(4'-phenyl-2,2':6',2''-terpyridine)bis(tri-<i>n</i>-butylphosphine)ruthenium(II) bis(hexafluorophosphate) dichloromethane solvate","Acta Crystallographica Section E","2006","62","9","m2255","m2256","10.1107/S1600536806031989","","","0.71073","MoKα","","0.0548","0.0499","","","0.1411","0.1462","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210422","7.2861","0.0006","10.1381","0.0009","12.0838","0.0011","91.973","0.007","106.497","0.007","110.152","0.006","794.74","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,4-bis(4-nitrophenoxy)benzene","1,4-bis(4-nitrophenoxy)benzene","","- C18 H12 N2 O6 -","- C18 H12 N2 O6 -","- C36 H24 N4 O12 -","2","1","WW2044","Butt, M. Saeed; Akhter, Zareen; Bolte, Michael; Siddiqi, Humaira M.","1,4-Bis(4-nitrophenoxy)benzene","Acta Crystallographica Section E","2006","62","9","o3992","o3993","10.1107/S1600536806032326","","","0.71073","MoKα","","0.0511","0.0415","","","0.1017","0.107","","","","","","1.032","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210423","8.998","0.002","12.88","0.005","18.184","0.005","90","","90","","90","","2107.4","1.1","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-β-Azido-4-desoxypodophyllotoxin","","- C22 H21 N3 O7 -","- C22 H21 N3 O7 -","- C88 H84 N12 O28 -","4","1","XU2019","Xiang Chen; Jun Liang; Zhi-Cai Shang","4-β-Azido-4-desoxypodophyllotoxin","Acta Crystallographica Section E","2006","62","9","o3810","o3811","10.1107/S1600536806015388","","","0.71075","MoKα","","0.057","0.04","","","0.103","0.112","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210424","5.109","0.001","19.187","0.004","10.29","0.002","90","","103.3","0.03","90","","981.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis[2-(1-pyridyl)butanedioato-κO]copper(II)","","- C18 H20 Cu N2 O10 -","- C18 H20 Cu N2 O10 -","- C36 H40 Cu2 N4 O20 -","2","0.5","XU2027","Li, Hong-Song; Li, Song-Lin; Hou, Jian-Feng","Diaquabis[2-(1-pyridyl)butanedioato-κ<i>O</i>]copper(II)","Acta Crystallographica Section E","2006","62","9","m2143","m2144","10.1107/S1600536806019969","","","0.71073","MoKα","","0.028","0.025","","","0.068","0.07","","","","","","1.069","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210425","8.637","0.003","7.899","0.003","18.622","0.006","90","","97.081","0.006","90","","1260.8","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-dihydroxy-2-methoxy-7-methylanthracene-9,10-dione","1,4-dihydroxy-2-methoxy-7-methylanthracene-9,10-dione","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","XU2059","Zhi-Gang She; Hua-Rong Huang; Yong-Cheng Lin; L. L. P. Vrijmoed; E. B. Gareth Jones","1,4-Dihydroxy-2-methoxy-7-methylanthracene-9,10-dione","Acta Crystallographica Section E","2006","62","9","o3737","o3738","10.1107/S1600536806028583","","","0.71073","MoKα","","0.091","0.048","","","0.127","0.154","","","","","","1.031","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210426","9.39","0.002","14.959","0.004","18.911","0.005","90","","94.056","0.004","90","","2649.7","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(4-Fluorobenzyl)isoquinolinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","","- C22 H13 F N Ni S10 -","- C22 H13 F N Ni S10 -","- C88 H52 F4 N4 Ni4 S40 -","4","1","XU2063","Jian-Ding Li; Sheng Li; Yang Su; Ruo-Jie Tao","<i>N</i>-(4-Fluorobenzyl)isoquinolinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","Acta Crystallographica Section E","2006","62","9","m2141","m2142","10.1107/S1600536806030613","","","0.71073","MoKα","","0.058","0.041","","","0.089","0.093","","","","","","0.997","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210427","15.4137","0.0011","8.7799","0.0006","22.0554","0.0015","90","","90","","90","","2984.8","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[2-(2-oxidophenyl)-1H-benzimidazole-κ^2^N^3^,O]zinc(II) dimethylformamide disolvate","","- C32 H32 N6 O4 Zn -","- C32 H32 N6 O4 Zn -","- C128 H128 N24 O16 Zn4 -","4","0.5","XU2069","Ya-Hui Zhao; Zhong-Min Su; Yong Wang; Xiang-Rong Hao; Kui-Zhan Shao","Bis[2-(2-oxidophenyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^3^,<i>O</i>]zinc(II) dimethylformamide disolvate","Acta Crystallographica Section E","2006","62","9","m2361","m2362","10.1107/S1600536806028601","","","0.71073","MoKα","","0.047","0.029","","","0.068","0.069","","","","","","1.005","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210428","8.006","0.002","8.525","0.002","9.26","0.002","90","","91.998","0.005","90","","631.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-6-fluoropyridine-2-carbaldehyde oxime","","- C6 H5 F N2 O -","- C6 H5 F N2 O -","- C24 H20 F4 N8 O4 -","4","1","XU2070","Zhou, Fu-Hui; Gu, Xiao-Dan; Zhou, Hua; Xu, Jing-Wei; Zhao, Hong-Bin","(<i>E</i>)-6-Fluoropyridine-2-carbaldehyde oxime","Acta Crystallographica Section E","2006","62","9","o3959","o3960","10.1107/S1600536806032533","","","0.71073","MoKα","","0.149","0.061","","","0.106","0.135","","","","","","0.983","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210429","9.527","0.0012","18.657","0.002","22.679","0.003","90","","90","","90","","4031.1","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Chloro-2-{[(R)-(3'S,8'R)-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazol- 3-yl](phenyl)methyl}phenol","","- C23 H20 Cl N O2 -","- C23 H20 Cl N O2 -","- C184 H160 Cl8 N8 O16 -","8","2","XU2071","Guang-You Zhang; Wan-Hui Wang; Jian-Guo Chang; Jin-Yan Zhao; Xiang-Bo Wang","4-Chloro-2-{[(<i>R</i>)-(3'<i>S</i>,8'<i>R</i>)-3,3a,8,8a-tetrahydro-2<i>H</i>-indeno[1,2-<i>d</i>][1,3]oxazol-3-yl](phenyl)methyl}phenol","Acta Crystallographica Section E","2006","62","9","o4078","o4079","10.1107/S1600536806033125","","","0.71073","MoKα","","0.127","0.077","","","0.212","0.241","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210430","9.5743","0.0019","8.0531","0.0016","15.951","0.003","90","","96.6","0.03","90","","1221.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-(Pyrimidin-2-ylsulfanylmethyl)quinoline","","- C14 H11 N3 S -","- C14 H11 N3 S -","- C56 H44 N12 S4 -","4","1","XU2075","Zhang, Hai-Yue; Chang, De-Wu; Mu, Shi-Cheng; Zhou, Li-Na; Chen, Wei","8-(Pyrimidin-2-ylsulfanylmethyl)quinoline","Acta Crystallographica Section E","2006","62","9","o3808","o3809","10.1107/S1600536806027462","","","0.71073","MoKα","","0.045","0.036","","","0.091","0.095","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210431","11.967","0.002","19.883","0.003","12.304","0.002","90","","115.74","0.002","90","","2637.1","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","hexakis(μ-2-acetyl-5-methoxyphenolato)trimanganese(II)","","- C54 H54 Mn3 O18 -","- C54 H54 Mn3 O18 -","- C108 H108 Mn6 O36 -","2","0.5","XU2077","Xing-You Xu; Tong-Tao Xu; Shao-Rui Niu; Daqi Wang; Xilan Hu","A trinuclear manganese(II) complex of 2-acetyl-5-methoxyphenol","Acta Crystallographica Section E","2006","62","9","m2026","m2027","10.1107/S1600536806029278","","","0.71073","MoKα","","0.103","0.047","","","0.089","0.115","","","","","","1.015","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210432","13.631","0.003","12.075","0.002","8.777","0.002","90","","96.7","0.03","90","","1434.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-(3-Ethoxy-4-hydroxybenzylidene)isonicotinohydrazide","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","XU2083","Qian, Heng-Yu; Yin, Zhi-Gang; Jia, Jia; Liu, Sheng-Min; Feng, Ling-Qin","<i>N</i>'-(3-Ethoxy-4-hydroxybenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2006","62","9","o3623","o3624","10.1107/S1600536806028625","","","0.71073","MoKα","","0.046","0.035","","","0.095","0.102","","","","","","1.075","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210433","13.086","0.003","14.174","0.003","7.1967","0.0014","90","","103.701","0.003","90","","1296.9","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-bromobenzyl)phthaimide","","- C15 H10 Br N O2 -","- C15 H10 Br N O2 -","- C60 H40 Br4 N4 O8 -","4","1","XU2085","Chen, Ping; Zhang, Ling; Li, Dan","<i>N</i>-(4-Bromobenzyl)phthalimide","Acta Crystallographica Section E","2006","62","9","o3691","o3692","10.1107/S1600536806029552","","","0.71073","MoKα","","0.098","0.047","","","0.109","0.138","","","","","","1.006","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210434","8.83","0.0018","5.874","0.0012","17.096","0.003","90","","111.37","0.03","90","","825.8","0.3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-Dimethylaminopyridinium dichloroacetate dichloroacetic acid","","- C11 H14 Cl4 N2 O4 -","- C11 H14 Cl4 N2 O4 -","- C22 H28 Cl8 N4 O8 -","2","1","XU2088","Cai, Min-Ying; Chen, Jian-Zhong","4-Dimethylaminopyridinium dichloroacetate dichloroacetic acid","Acta Crystallographica Section E","2006","62","9","o3996","o3997","10.1107/S1600536806032363","","","0.71073","MoKα","","0.066","0.049","","","0.136","0.146","","","","","","0.988","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210435","3.871","0.0014","8.049","0.005","34.342","0.005","90","","90.03","0.02","90","","1070","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Hydroxy-3-methoxy-2-nitrophenyl)acrylic acid","","- C10 H9 N O6 -","- C10 H9 N O6 -","- C40 H36 N4 O24 -","4","1","XU2089","Chun-Nian Xia; Wei-Xiao Hu; Wei Zhou","3-(4-Hydroxy-3-methoxy-2-nitrophenyl)acrylic acid","Acta Crystallographica Section E","2006","62","9","o3641","o3642","10.1107/S1600536806029229","","","0.71073","MoKα","","0.113","0.095","","","0.233","0.243","","","","","","1.104","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210436","11.515","0.002","11.765","0.002","14.883","0.003","90","","97.117","0.003","90","","2000.7","0.6","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-{2-[2-(4-Nitrophenoxy)ethoxy]ethoxy}ethyl toluene-4-sulfonate","","- C19 H23 N O8 S -","- C19 H23 N O8 S -","- C76 H92 N4 O32 S4 -","4","1","XU2090","Guo, Dian-Shun; Zhang, Xin-Yan; Liu, Zhi-Peng; Ma, Jian-Ping","2-{2-[2-(4-Nitrophenoxy)ethoxy]ethoxy}ethyl toluene-4-sulfonate","Acta Crystallographica Section E","2006","62","9","o3655","o3656","10.1107/S1600536806029308","","","0.71073","MoKα","","0.035","0.034","","","0.088","0.088","","","","","","1.057","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210437","31.906","0.016","6.13","0.003","8.726","0.004","90","","98.428","0.007","90","","1688.2","1.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Amino-2,5-bis(4-methoxybenzyl)-1,3,4-triazole","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C72 H80 N16 O8 -","4","1","XU2091","Feng Xu; Wei-Xiao Hu; Wei Zhou; Chun-Nian Xia","1-Amino-2,5-bis(4-methoxybenzyl)-1,3,4-triazole","Acta Crystallographica Section E","2006","62","9","o4058","o4059","10.1107/S160053680602945X","","","0.71073","MoKα","","0.107","0.076","","","0.181","0.202","","","","","","0.958","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210438","33.31","0.02","8.84","0.006","5.749","0.004","90","","90","","90","","1692.9","1.9","290","2","290","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-(4-Fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydroisoxazole","","- C21 H16 F N O2 -","- C21 H16 F N O2 -","- C84 H64 F4 N4 O8 -","4","1","XU2093","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B","5-(4-Fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydroisoxazole","Acta Crystallographica Section E","2006","62","9","o3819","o3820","10.1107/S1600536806030807","","","0.71073","MoKα","","0.109","0.081","","","0.186","0.207","","","","","","1.321","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210439","9.139","0.002","10.337","0.002","11.121","0.002","65.9","0.03","82.8","0.03","76.45","0.03","931.8","0.4","170","2","170","2","","","","","","","","5","P -1","-P 1","2","pyrimethamine m-chlorobenzoate","2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 3-chlorobenzoate","","- C19 H18 Cl2 N4 O2 -","- C19 H18 Cl2 N4 O2 -","- C38 H36 Cl4 N8 O4 -","2","1","XU2096","Periasamy Devi; Pakianathan Thomas Muthiah; Urszula Rychlewska; Agnieszka Plutecka","Hydrogen-bonding patterns in pyrimethaminium 3-chlorobenzoate","Acta Crystallographica Section E","2006","62","9","o3704","o3706","10.1107/S1600536806030315","","","0.71073","MoKα","","0.076","0.044","","","0.112","0.122","","","","","","0.966","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210440","13.501","0.002","3.939","0.0005","22.433","0.003","90","","98.016","0.002","90","","1181.3","0.3","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(4-Bromobenzylidene)-3-nitroaniline","","- C13 H9 Br N2 O2 -","- C13 H9 Br N2 O2 -","- C52 H36 Br4 N8 O8 -","4","1","XU2097","Sun, Shao-Fa; Ma, Rong-Ming; Ng, Seik Weng","<i>N</i>-(4-Bromobenzylidene)-3-nitroaniline","Acta Crystallographica Section E","2006","62","9","o3612","o3613","10.1107/S1600536806029023","","","0.71073","MoKα","","0.105","0.059","","","0.128","0.145","","","","","","0.95","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210441","13.389","0.001","5.8745","0.0005","14.902","0.001","90","","102.457","0.001","90","","1144.5","0.15","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(4-Bromobenzylidene)-2-hydroxyaniline","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C52 H40 Br4 N4 O4 -","4","1","XU2098","Jiao, Yuan-Hong; Zhang, Qian; Ng, Seik Weng","<i>N</i>-(4-Bromobenzylidene)-2-hydroxyaniline","Acta Crystallographica Section E","2006","62","9","o3614","o3615","10.1107/S1600536806029060","","","0.71073","MoKα","","0.066","0.038","","","0.096","0.11","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210442","7.932","0.005","8.803","0.005","10.509","0.005","110.5","0.005","95.531","0.005","103.439","0.005","655.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Polymeric tetraaquacerium(III)-μ~4~-glutarato chloride dihydrate","Poly[[tetraaqua-μ~4~-glutarato-cerium(III)] chloride dihydrate]","","- C5 H18 Ce Cl O10 -","- C5 H18 Ce Cl O10 -","- C10 H36 Ce2 Cl2 O20 -","2","1","XU2099","Rahahlia, N.; Benmerad, B.; Guehria-Laidoudi, A.; Dahaoui, S.; Lecomte, C.","Poly[[tetraaqua-μ~4~-glutarato-cerium(III)] chloride dihydrate]","Acta Crystallographica Section E","2006","62","9","m2145","m2147","10.1107/S1600536806030741","","","0.71073","MoKα","","0.02","0.017","","","0.033","0.034","","","","","","1.049","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210443","12.019","0.002","15.45","0.003","8.8057","0.0016","90","","90","","90","","1635.2","0.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H20 Cl2 Cu N6 O4 -","- C9 H20 Cl2 Cu N6 O4 -","- C36 H80 Cl8 Cu4 N24 O16 -","4","1","XU2101","Jian Gao; Tongtao Xu; Daqi Wang","[<i>N</i>-(2-Aminoethyl)-<i>N</i>-(3-aminopropyl)amine](2-aminopyrimidine)chlorocopper(II) perchlorate","Acta Crystallographica Section E","2006","62","9","m2189","m2190","10.1107/S1600536806031709","","","0.71073","MoKα","","0.071","0.063","","","0.144","0.148","","","","","","1.159","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210444","8.3488","0.0017","5.1431","0.0011","20.665","0.004","90","","91.843","0.002","90","","886.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-[(2,3,5,6-Tetrafluoro-1,4-phenylene)dimethylene]bis(pyridine-4-carboxamide)","","- C20 H14 F4 N4 O2 -","- C20 H14 F4 N4 O2 -","- C40 H28 F8 N8 O4 -","2","0.5","XU2102","Ming-Yang He; Sheng-Chun Chen; Qun Chen","<i>N</i>,<i>N</i>'-[(2,3,5,6-Tetrafluoro-1,4-phenylene)dimethylene]bis(pyridine-4-carboxamide)","Acta Crystallographica Section E","2006","62","9","o3716","o3717","10.1107/S1600536806030443","","","0.71073","MoKα","","0.099","0.049","","","0.103","0.126","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210445","10.142","0.002","9.98","0.002","14.428","0.002","90","","100.25","0.02","90","","1437.1","0.5","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-Benzylquinoline-8-sulfonamide","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C64 H56 N8 O8 S4 -","4","1","XU2103","Andrighetti-Fröhner, Carla Regina; Silva, Luiz Everson da; Nunes, Ricardo José; Simões, Cláudia Maria Oliveira; Foro, Sabine","<i>N</i>-Benzylquinoline-8-sulfonamide","Acta Crystallographica Section E","2006","62","9","o3693","o3694","10.1107/S1600536806029734","","","1.5418","CuKα","","0.085","0.078","","","0.228","0.236","","","","","","1.097","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210446","9.1942","0.0008","5.7823","0.0005","23.126","0.002","90","","96.398","0.002","90","","1221.8","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(2-fluorophenyl)-2-phenylacrylic acid","3-(2-fluorophenyl)-2-phenylacrylic acid","","- C15 H11 F O2 -","- C15 H11 F O2 -","- C60 H44 F4 O8 -","4","1","XU2104","Tariq Mahmood Babar; Nasim Hasan Rama; Ghulam Qadeer; Gul Shahzada Khan; Wai-Yeung Wong","3-(2-Fluorophenyl)-2-phenylacrylic acid","Acta Crystallographica Section E","2006","62","9","o4082","o4083","10.1107/S1600536806033435","","","0.71073","MoKα","","0.05","0.043","","","0.114","0.121","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210447","16.178","0.003","8.9156","0.0017","31.928","0.006","90","","90","","90","","4605.2","1.5","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Diisothiocyanate[3,6,14,17-tetraoxa-23,24-diazatricyclo[17.3.1.1^8.12^] tetracosa-1(23),8,10,12(24),19,21-hexaene]cadmium(II)","","- C20 H22 Cd N4 O4 S2 -","- C20 H22 Cd N4 O4 S2 -","- C160 H176 Cd8 N32 O32 S16 -","8","1","XU2106","Cheng-Juan Li; Hui Wang; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang","Diisothiocyanato[3,6,14,17-tetraoxa-23,24-diazatricyclo[17.3.1.1^8.12^]tetracosa-1(23),8,10,12(24),19,21-hexaene]cadmium(II)","Acta Crystallographica Section E","2006","62","9","m2136","m2137","10.1107/S1600536806030856","","","0.71073","MoKα","","0.107","0.045","","","0.106","0.136","","","","","","1.072","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210448","30.56","0.007","6.112","0.002","17.364","0.004","90","","124.4","0.02","90","","2676.1","1.4","297","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(Benzylaminothiocarbonyl)benzamide","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C120 H112 N16 O8 S8 -","8","1","XU2109","Sabino, Jose R.; Silvio Cunha; Rodrigo M. Bastos; Vencato, Ivo","<i>N</i>-(Benzylaminothiocarbonyl)benzamide","Acta Crystallographica Section E","2006","62","9","o3918","o3920","10.1107/S1600536806031928","","","1.5418","CuKα","","","0.052","","","","0.199","","","","","","1.151","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210449","9.2716","0.0003","11.4256","0.0003","16.422","0.0004","90","","90","","90","","1739.64","0.08","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzyl 2-(5-methyl-2-pyridylaminocarbonyl)pyrrolidine-2-carboxylate","","- C19 H21 N3 O3 -","- C19 H21 N3 O3 -","- C76 H84 N12 O12 -","4","1","XU2110","Long He","Benzyl 2-(5-methyl-2-pyridylaminocarbonyl)pyrrolidine-2-carboxylate","Acta Crystallographica Section E","2006","62","9","o3947","o3948","10.1107/S1600536806031904","","","0.71073","MoKα","","0.028","0.028","","","0.071","0.072","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210450","9.334","0.003","11","0.003","12.701","0.004","90","","98.005","0.004","90","","1291.4","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tert-butyl 3-(3,4-dihydroxyphenyl)prop-2-enoate","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","XU2113","Chun-Nian Xia; Wei-Xiao Hu; Wei Zhou","<i>tert</i>-Butyl 3-(3,4-dihydroxyphenyl)prop-2-enoate","Acta Crystallographica Section E","2006","62","9","o4118","o4119","10.1107/S1600536806033642","","","0.71073","MoKα","","0.097","0.067","","","0.189","0.226","","","","","","1.109","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210451","14.542","0.004","40.468","0.011","10.874","0.003","90","","90","","90","","6399","3","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","SYP-185","Isopropylideneamino 12H-dibenzo[d,g][1,3]dioxocine-6-carboxylate","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C288 H272 N16 O64 -","16","1","YA2016","Jin, Rui-Fa; Ji, Hai-Ying; Xiang, Dong; Li, Bin","Isopropylideneamino-12<i>H</i>-dibenzo[<i>d</i>,<i>g</i>][1,3]dioxocine-6-carboxylate","Acta Crystallographica Section E","2006","62","9","o3699","o3700","10.1107/S1600536806030418","","","0.71073","MoKα","","0.102","0.046","","","0.08","0.096","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210452","10.147","0.002","23.561","0.005","13.776","0.003","90","","100.09","0.03","90","","3242.5","1.2","571","2","571","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Benzoato[hydridotris(3,5-methylphenylpyrazolyl)borato-κ^3^N,N',N'']zinc(II)","","- C37 H33 B N6 O2 Zn -","- C37 H33 B N6 O2 Zn -","- C148 H132 B4 N24 O8 Zn4 -","4","1","YM2007","He, Hong-Shan","Benzoato[hydridotris(3,5-methylphenylpyrazolyl)borato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']zinc(II)","Acta Crystallographica Section E","2006","62","9","m2047","m2049","10.1107/S1600536806029266","","","0.71073","MoKα","","0.121","0.041","","","0.076","0.104","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210453","8.564","0.004","9.571","0.002","14.114","0.003","101.56","0.02","91.68","0.03","103.69","0.02","1097.6","0.6","295","2","295","2","","","","","","","","4","P -1","-P 1","2","4-cyano-N-[4-n-decyloxy-benzylidene]aniline","4-[4-(n-Decyloxy)benzylideneamino]benzonitrile","","- C24 H30 N2 O -","- C24 H30 N2 O -","- C48 H60 N4 O2 -","2","1","YM2008","Rajnikant; Dinesh; Rajinder K. Bamzai; Tej K. Razdan; D. Singh","4-[4-(<i>n</i>-Decyloxy)benzylideneamino]benzonitrile","Acta Crystallographica Section E","2006","62","9","o3662","o3663","10.1107/S160053680602931X","","","0.71073","MoKα","","0.1099","0.0422","","","0.1062","0.1324","","","","","","1.009","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210454","11.535","0.002","11.396","0.002","16.724","0.003","90","","106.9","0.03","90","","2103.5","0.7","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Bis[4-(4-nitrophenoxy)phenyl]methanone","Bis[4-(4-nitrophenoxy)phenyl] ketone","","- C25 H16 N2 O7 -","- C25 H16 N2 O7 -","- C100 H64 N8 O28 -","4","1","YM2015","Butt, M. Saeed; Khawar Rauf, M.; Bolte, Michael; Akhter, Zareen; Zafar-uz-Zaman,M","Bis[4-(4-nitrophenoxy)phenyl] ketone","Acta Crystallographica Section E","2006","62","9","o3857","o3858","10.1107/S1600536806031369","","","0.71073","MoKα","","0.0512","0.0395","","","0.099","0.1046","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210455","9.8335","0.0007","16.7979","0.0015","17.7501","0.0013","90","","98.348","0.009","90","","2900.9","0.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-iodo-bis{[N,N'-bis(3,3-diphenylprop-2-enylidene)propane-1,3-diamine- κ^2^N,N']copper(I)}","","- C66 H60 Cu2 I2 N4 -","- C66 H60 Cu2 I2 N4 -","- C132 H120 Cu4 I4 N8 -","2","0.5","YM2016","Aliakbar Dehno Khalaji; Mehdi Amirnasr; Jean-Claude Daran","Di-μ-iodo-bis{[<i>N</i>,<i>N</i>'-bis(3,3-diphenylprop-2-enylidene)propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>']copper(I)}","Acta Crystallographica Section E","2006","62","9","m2200","m2201","10.1107/S1600536806029503","","","0.71073","MoKα","","0.0674","0.0343","","","0.0624","0.0682","","","","","","0.906","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210456","10.6111","0.0001","10.504","0.0002","17.3345","0.0002","90","","100.248","0.001","90","","1901.26","0.05","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl [2-(2-phenyl-1H-indol-3-yldiazenyl)-1,3-thiazol-4-yl]acetate","","- C21 H18 N4 O2 S -","- C21 H18 N4 O2 S -","- C84 H72 N16 O8 S4 -","4","1","YM2023","Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Ertan, Nermin","Ethyl [2-(2-phenyl-1<i>H</i>-indol-3-yldiazenyl)-1,3-thiazol-4-yl]acetate","Acta Crystallographica Section E","2006","62","9","o3835","o3837","10.1107/S160053680603128X","","","0.71073","MoKα","","0.1335","0.0782","","","0.141","0.1616","","","","","","1.11","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210457","8.568","0.003","14.919","0.005","10.51","0.004","90","","107.688","0.005","90","","1279.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ-2-(2-pyridylsulfanylmethyl)pyridine]disilver(I) dinitrate","","- C22 H20 Ag2 N6 O6 S2 -","- C22 H20 Ag2 N6 O6 S2 -","- C44 H40 Ag4 N12 O12 S4 -","2","0.5","AC2039","Xie, Ya-Bo; Jiang, Ling-Yan; Wang, Dao","Bis[μ-2-(2-pyridylsulfanylmethyl)pyridine]disilver(I) dinitrate","Acta Crystallographica Section E","2006","62","10","m2479","m2481","10.1107/S1600536806035008","","","0.71073","MoKα","","0.0536","0.0312","","","0.063","0.0703","","","","","","1.006","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210458","9.298","0.002","10.455","0.002","14.523","0.003","95.668","0.004","103.721","0.004","112.567","0.004","1237.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","{1,2-Bis[(2-oxidobenzylidene)hydrazozo]1,2-diphenylethane}(methanol)cobalt(II)","","- C29 H24 Co N4 O3 -","- C29 H24 Co N4 O3 -","- C58 H48 Co2 N8 O6 -","2","1","AC2040","Bai, Yan; Dang, Dong-Bin; Duan, Chun-Ying","{1,2-Bis[(2-oxidobenzylidene)hydrazono]1,2-diphenylethane}(methanol)cobalt(II)","Acta Crystallographica Section E","2006","62","10","m2599","m2601","10.1107/S1600536806036348","","","0.71073","MoKα","","0.0654","0.055","","","0.1423","0.1487","","","","","","1.014","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210459","14.426","0.007","6.876","0.003","17.555","0.009","90","","109.135","0.006","90","","1645.1","1.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(5-chloro-2-hydroxybenzylideneamino)1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Cl N3 O2 -","- C18 H16 Cl N3 O2 -","- C72 H64 Cl4 N12 O8 -","4","1","AC2041","Li, Zong-Xiao; Zhang, Xin-Li; Wang, Xiao-Ling","A new antipyrine Schiff base: 4-(5-chloro-2-hydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4513","o4514","10.1107/S1600536806036154","","","0.71073","MoKα","","0.0802","0.043","","","0.0989","0.1259","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210460","10.5944","0.0014","11.2733","0.0015","9.5282","0.001","90","","97.703","0.006","90","","1127.7","0.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methyl-5-(3-nitrophenyl)cyclohex-2-enone","3-Methyl-5-(3-nitrophenyl)cyclohex-2-enone","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","AC2042","Sun, Feng-Xia; Yu, Yi-Feng; Guo, Xing-Na; Guo, Jun-Yong","3-Methyl-5-(3-nitrophenyl)cyclohex-2-enone","Acta Crystallographica Section E","2006","62","10","o4320","o4321","10.1107/S1600536806035033","","","0.7107","MoKα","","0.0642","0.0449","","","0.1185","0.129","","","","","","1.032","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210461","10.8298","0.0009","10.6315","0.0009","16.6174","0.001","90","","122.87","0.004","90","","1607","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-(2-Chlorophenyl)-3-(4-ethoxyphenyl)-1,2,4- triazolo[3,4-b][1,3,4]thiadiazole","","- C17 H13 Cl N4 O S -","- C17 H13 Cl N4 O S -","- C68 H52 Cl4 N16 O4 S4 -","4","1","AC2043","Xin-Xiang Lei; An-Jiang Zhang; Xiao-Bo Huang; Li-Xue Zhang","6-(2-Chlorophenyl)-3-(4-ethoxyphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2006","62","10","o4418","o4419","10.1107/S160053680603635X","","","0.71073","MoKα","","0.0695","0.0632","","","0.1556","0.1603","","","","","","1.203","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210462","13.64","0.004","13.64","0.004","6.678","0.003","90","","90","","90","","1242.4","0.8","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","Anthraflavic acid","2,6-dihydroxyanthraquinone","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","0.125","AT2091","dRuyck, Jérôme de; Preat, Julien; Perpète, Eric A.; Jacquemin, Denis; Wouters, Johan","2,6-Dihydroxyanthraquinone: an isomer of the well known alizarin dye","Acta Crystallographica Section E","2006","62","10","o4503","o4505","10.1107/S1600536806036828","","","1.54178","CuKα","","0.0583","0.0566","","","0.1845","0.1881","","","","","","1.195","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210463","7.884","0.0012","8.1407","0.0013","8.3101","0.0014","100.603","0.008","101.29","0.008","93.55","0.009","511.44","0.14","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-(2,4-Dichlorobenzylidene)thiosemicarbazide","","- C8 H7 Cl2 N3 S -","- C8 H7 Cl2 N3 S -","- C16 H14 Cl4 N6 S2 -","2","1","AT2094","Jing, Zuo-Liang; Zhang, Qiao-Zhen; Yu, Ming; Chen, Xin","(<i>E</i>)-1-(2,4-Dichlorobenzylidene)thiosemicarbazide","Acta Crystallographica Section E","2006","62","10","o4489","o4490","10.1107/S1600536806036865","","","0.7107","MoKα","","0.0341","0.0274","","","0.0712","0.0724","","","","","","0.986","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210464","10.28","0.0006","6.912","0.0003","19.0486","0.001","90","","90","","90","","1353.51","0.12","296","","296","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tetramethylammonium hydrogen 4,5-dichlorophthalate","","- C12 H15 Cl2 N O4 -","- C12 H15 Cl2 N O4 -","- C48 H60 Cl8 N4 O16 -","4","0.5","AT2096","Bozkurt, Esat; Kartal, İbrahim; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Tetramethylammonium hydrogen 4,5-dichlorophthalate","Acta Crystallographica Section E","2006","62","10","o4258","o4260","10.1107/S1600536806034660","","","0.71073","MoKα","","0.0401","0.0337","","","0.0919","0.0954","","","","","","1.028","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210465","5.3747","0.0008","10.8834","0.0016","15.342","0.002","90","","94.496","0.002","90","","894.7","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(4-hydroxypyridine-2,6-dicarboxylato)cobalt(II)","","- C14 H16 Co N2 O14 -","- C14 H16 Co N2 O14 -","- C28 H32 Co2 N4 O28 -","2","0.5","AT2098","Jian-Zhong Cui; Hong Zhang; Tong Lin; Hui-Juan Kang; Hong-Ling Gao","Tetraaqua(4-hydroxypyridine-2,6-dicarboxylato)cobalt(II)","Acta Crystallographica Section E","2006","62","10","m2499","m2501","10.1107/S1600536806035604","","","0.71073","MoKα","","0.0283","0.0247","","","0.0665","0.0692","","","","","","1.095","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210466","11.736","0.009","7.646","0.008","19.932","0.012","90","","123.379","0.005","90","","1494","2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)acrylonitrile","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","AT2099","Kavitha, C. V.; Sarala, G; Rangappa, K. S.; Sridhar, M. A.; Shashidhara Prasad, J.","3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)acrylonitrile","Acta Crystallographica Section E","2006","62","10","o4345","o4347","10.1107/S1600536806035598","","","0.71073","MoKα","","0.0584","0.0488","","","0.1308","0.146","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210467","18.28","0.004","14.79","0.003","13.364","0.003","90","","106.27","0.03","90","","3468.4","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2'-(4-Methylbenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C144 H128 N32 O8 -","8","1","AT2100","Fang-Fang Jian; Tong-Ling liang; Ying-Qi Qin; Huan-Qing Yu; Hai-Lian Xiao","2'-(4-Methylbenzylidene)-5-phenyl-1<i>H</i>-pyrazole-3-carbohydrazide","Acta Crystallographica Section E","2006","62","10","o4364","o4365","10.1107/S1600536806035525","","","0.71073","MoKα","","0.1054","0.0505","","","0.1336","0.1652","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210468","3.912","0.002","32.035","0.016","12.671","0.007","90","","91.442","0.008","90","","1587.4","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-7-[3-(3-chlorocinnamoyl)oxy]-4-methylcoumarin","4-methyl-2-oxo-2H-1-benzopyran-7-yl 3-(3-chlorophenyl)prop-2-enoate","","- C19 H13 Cl O4 -","- C19 H13 Cl O4 -","- C76 H52 Cl4 O16 -","4","1","AT2101","Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Xia, Hai-Tao","(<i>E</i>)-7-[(3-Chlorocinnamoyl)oxy]-4-methylcoumarin","Acta Crystallographica Section E","2006","62","10","o4350","o4352","10.1107/S1600536806035574","","","0.71073","MoKα","","0.1462","0.0633","","","0.1216","0.1587","","","","","","1.029","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210469","8.174","0.003","9.071","0.003","24.175","0.009","90","","97.67","0.006","90","","1776.5","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-7-[(4-Dimethylaminocinnamoyl)oxy]-4-methylcoumarin","4-methyl-2-oxo-2H-1-benzopyran-7-yl 3-[4-(dimethylamino)phenyl]prop-2-enoate","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","AT2102","Yang, Shu-Ping; Han, Li-Jun; Xia, Hai-Tao; Wang, Da-Qi","(<i>E</i>)-7-{[4-(Dimethylamino)cinnamoyl]oxy}-4-methylcoumarin","Acta Crystallographica Section E","2006","62","10","o4353","o4355","10.1107/S1600536806035586","","","0.71073","MoKα","","0.12","0.0475","","","0.1123","0.1466","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210470","19.834","0.004","14.899","0.003","16.797","0.003","90","","98.381","0.003","90","","4910.6","1.7","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4,6-trimethyl-1,3,5-tris(2-thiazolin-2-ylsulfanylmethyl)benzene","","- C21 H27 N3 S6 -","- C21 H27 N3 S6 -","- C168 H216 N24 S48 -","8","1","AT2103","Sheng Zhong; Jing Wang; Wei Wang","2,4,6-Trimethyl-1,3,5-tris(2-thiazolin-2-ylsulfanylmethyl)benzene","Acta Crystallographica Section E","2006","62","10","o4491","o4492","10.1107/S160053680603697X","","","0.71073","MoKα","","0.0891","0.0439","","","0.1083","0.1313","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210471","15.612","0.004","12.934","0.003","10.318","0.003","90","","94.557","0.003","90","","2076.9","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[N,N'-bis(3,4-methylenedioxybenzyl)propane-1,3-diamine]dichlorozinc(II)","","- C19 H22 Cl2 N2 O4 Zn -","- C19 H22 Cl2 N2 O4 Zn -","- C76 H88 Cl8 N8 O16 Zn4 -","4","1","AT2104","Han, Li-Jun; Yang, Shu-Ping; Wang, Da-Qi; Xia, Hai-Tao","Bis[<i>N</i>,<i>N</i>'-bis(3,4-methylenedioxybenzyl)propane-1,3-diamine]dichlorozinc(II)","Acta Crystallographica Section E","2006","62","10","m2607","m2609","10.1107/S1600536806036798","","","0.71073","MoKα","","0.0538","0.0304","","","0.066","0.0801","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210472","9.0144","0.0003","14.4325","0.0005","17.5808","0.0006","90","","95.57","0.002","90","","2276.47","0.13","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquaazidobis(2,2'-bipyridine)manganese(II) perchlorate","","- C20 H18 Cl Mn N7 O5 -","- C20 H18 Cl Mn N7 O5 -","- C80 H72 Cl4 Mn4 N28 O20 -","4","1","AT2105","Min Shao; Zhi-Xin Miao; Ming-Xing Li","Aquaazidobis(2,2'-bipyridine)manganese(II) perchlorate","Acta Crystallographica Section E","2006","62","10","m2575","m2577","10.1107/S1600536806036312","","","0.71073","MoKα","","0.052","0.0363","","","0.0918","0.0991","","","","","","1.068","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210473","13.255","0.004","18.369","0.005","10.04","0.003","90","","103.14","0.005","90","","2380.5","1.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1,5-Dimethyl-4-{2-[2-(2-nitrophenoxy)ethoxy]benzylideneamino}-2-phenyl- 1H-pyrazol-3(2H)-one","","- C26 H24 N4 O5 -","- C26 H24 N4 O5 -","- C104 H96 N16 O20 -","4","1","AT2106","Diao, Chun-Hua; Chen, Xin","(<i>E</i>)-1,5-Dimethyl-4-{2-[2-(2-nitrophenoxy)ethoxy]benzylideneamino}-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4422","o4424","10.1107/S1600536806036269","","","0.71073","MoKα","","0.1855","0.0573","","","0.0993","0.1288","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210474","17.328","0.002","5.2372","0.0007","9.6386","0.0012","90","","121.09","0.002","90","","749.06","0.16","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-aminoacetato)nickel(II) monohydrate","","- C4 H10 N2 Ni O5 -","- C4 H10 N2 Ni O5 -","- C16 H40 N8 Ni4 O20 -","4","0.5","AT2107","Wang, Zhen-Long; Zhang, Zhi-Bin","A monoclinic polymorph of bis(2-aminoacetato)nickel(II) monohydrate","Acta Crystallographica Section E","2006","62","10","m2546","m2548","10.1107/S1600536806036282","","","0.71073","MoKα","","0.0294","0.0251","","","0.0609","0.0627","","","","","","1.093","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210475","9.05","0.04","12","0.06","13.33","0.06","90","","90","","90","","1448","12","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S)-1-(Benzoylthiocarbamoyl)pyrrolidine-2-carboxylic acid monohydrate","","- C13 H16 N2 O4 S -","- C13 H16 N2 O4 S -","- C52 H64 N8 O16 S4 -","4","1","AT2108","Ngah, Nurziana; Kassim, Mohammad B.; Yamin, Bohari M.","(2<i>S</i>)-1-(Benzoylthiocarbamoyl)pyrrolidine-2-carboxylic acid monohydrate","Acta Crystallographica Section E","2006","62","10","o4501","o4502","10.1107/S1600536806036816","","","0.71073","MoKα","","0.05","0.037","","","0.083","0.088","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210476","7.9826","0.0014","16.545","0.003","16.664","0.003","90","","101.556","0.003","90","","2156.2","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1-(2,4-Dinitrophenyl)-2-[3-methoxy-2-(p- tolylsulfonyloxy)benzylidene]hydrazine","","- C21 H18 N4 O8 S -","- C21 H18 N4 O8 S -","- C84 H72 N16 O32 S4 -","4","1","AT2110","Chen, Xin; Yu, Ming","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[3-methoxy-2-(<i>p</i>-tolylsulfonyloxy)benzylidene]hydrazine","Acta Crystallographica Section E","2006","62","10","o4468","o4469","10.1107/S1600536806036968","","","0.71073","MoKα","","0.0902","0.0427","","","0.0953","0.1135","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210477","7.306","0.007","12.977","0.012","13.162","0.012","89.272","0.015","77.437","0.016","78.286","0.014","1192","1.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-4-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yliminomethyl)- 2-methoxyphenyl benzenesulfonate","","- C25 H23 N3 O5 S -","- C25 H23 N3 O5 S -","- C50 H46 N6 O10 S2 -","2","1","AT2111","Zhao, Yan-Li; Zhang, Qiao-Zhen; Chen, Xin; Yu, Ming","(<i>E</i>)-4-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yliminomethyl)-2-methoxyphenyl benzenesulfonate","Acta Crystallographica Section E","2006","62","10","o4590","o4591","10.1107/S1600536806037950","","","0.71073","MoKα","","0.0873","0.0488","","","0.1117","0.1302","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210478","9.793","0.002","9.831","0.002","13.627","0.003","79.705","0.004","77.524","0.004","74.56","0.003","1224.4","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-5-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yliminomethyl)- 2-methoxyphenyl benzenesulfonate","","- C26 H25 N3 O5 S -","- C26 H25 N3 O5 S -","- C52 H50 N6 O10 S2 -","2","1","AT2112","Chen, Xin; Yu, Ming","(<i>E</i>)-5-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yliminomethyl)-2-methoxyphenyl benzenesulfonate","Acta Crystallographica Section E","2006","62","10","o4592","o4593","10.1107/S1600536806037962","","","0.71073","MoKα","","0.0802","0.0417","","","0.1003","0.1215","","","","","","1.014","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210479","18.48","0.002","12.0337","0.0013","12.9824","0.0014","90","","120.094","0.002","90","","2497.9","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,10-phenanthroline-κ^2^N,N')(sulfato-κ^2^O,O')manganese(II) ethene-1,2-diol solvate","","- C26 H22 Mn N4 O6 S -","- C26 H22 Mn N4 O6 S -","- C104 H88 Mn4 N16 O24 S4 -","4","0.5","AT2113","Yi-Min Zhu; Kai-Long Zhong; Wen-Jie Lu","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')manganese(II) ethene-1,2-diol solvate","Acta Crystallographica Section E","2006","62","10","m2688","m2689","10.1107/S1600536806038025","","","0.71073","MoKα","","0.054","0.0399","","","0.0997","0.1115","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210480","18.9602","0.0008","7.1044","0.0003","51.387","0.002","90","","96.529","0.001","90","","6877","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(2,3-Dichlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H15 Cl2 N3 O -","- C18 H15 Cl2 N3 O -","- C288 H240 Cl32 N48 O16 -","16","2","AT2114","Sun, Yu-Xi; Zhang, Ran; Wang, Bao-Lin; Ding, De-Jun; Liu, Shu","4-(2,3-Dichlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4613","o4615","10.1107/S1600536806037974","","","0.71073","MoKα","","0.0753","0.0572","","","0.1255","0.1342","","","","","","1.087","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210481","13.199","0.005","6.802","0.003","18.841","0.007","90","","102.315","0.007","90","","1652.6","1.1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(E)-4-(2-{4-[(E)-(1,5-Dimethyl-3-oxo-2-phenyl-2,3- dihydro-1H-pyrazol-4-yl)iminomethyl]phenoxy}ethoxy)benzylideneamino]- 1,5-dimethyl-1-phenyl-1H-dihydropyrazol-3(2H)-one","","- C38 H36 N6 O4 -","- C38 H36 N6 O4 -","- C76 H72 N12 O8 -","2","0.5","AT2115","Diao, Chun-Hua; Fan, Zhi","4-[(<i>E</i>)-4-(2-{4-[(<i>E</i>)-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)iminomethyl]phenoxy}ethoxy)benzylideneamino]-1,5-dimethyl-1-phenyl-1<i>H</i>-dihydropyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4594","o4595","10.1107/S1600536806037986","","","0.71073","MoKα","","0.0986","0.0438","","","0.106","0.131","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210482","22.843","0.01","10.484","0.005","13.921","0.006","90","","104.411","0.007","90","","3229","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-4,6-dimethoxypyrimidin-1-ium 1-methyl-5-sulfamoyl-1<i>H</i>-pyrazole-4-carboxylate","","- C11 H16 N6 O6 S -","- C11 H16 N6 O6 S -","- C88 H128 N48 O48 S8 -","8","1","AT2116","Liu, Y.-F; Xia, H.-T; Li, S.-A","2-Amino-4,6-dimethoxypyrimidin-1-ium 1-methyl-5-sulfamoyl-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section E","2006","62","10","o4623","o4625","10.1107/S1600536806038037","","","0.71073","MoKα","","0.1244","0.0538","","","0.1263","0.1518","","","","","","1.005","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210483","7.7257","0.0017","7.8019","0.0018","21.9","0.005","80.149","0.004","88.949","0.004","72.208","0.003","1237.5","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-[3-Ethoxy-4-(4-methylbenzenesulfonyloxy)benzylidene]-2-(4- nitrophenyl)hydrazine acetonitrile solvate","","- C24 H24 N4 O6 S -","- C24 H24 N4 O6 S -","- C48 H48 N8 O12 S2 -","2","1","AT2117","Chen, Xin; Yu, Ming","(<i>E</i>)-1-[3-Ethoxy-4-(4-methylbenzenesulfonyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine acetonitrile solvate","Acta Crystallographica Section E","2006","62","10","o4670","o4671","10.1107/S1600536806038396","","","0.71073","MoKα","","0.0693","0.046","","","0.114","0.1298","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210484","11.3949","0.0018","7.4456","0.0012","26.791","0.004","90","","95.392","0.003","90","","2262.9","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1,5-Dimethyl-4-[3-(2-phenoxyethoxy)benzylideneamino]-2-phenyl- 1H-pyrazol-3(2H)-one","","- C26 H25 N3 O3 -","- C26 H25 N3 O3 -","- C104 H100 N12 O12 -","4","1","AT2118","Diao, Chun-Hua; Yu, Ming","(<i>E</i>)-1,5-Dimethyl-4-[3-(2-phenoxyethoxy)benzylideneamino]-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4658","o4659","10.1107/S1600536806038402","","","0.71073","MoKα","","0.102","0.0481","","","0.1117","0.1377","","","","","","0.991","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210485","16.4873","0.0016","4.053","0.0004","12.7746","0.0013","90","","90","","90","","853.64","0.15","190","2","190","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2,3,6-Trichloroiodobenzene","2,3,6-Trichloro-1-iodobenzene","","- C6 H2 Cl3 I -","- C6 H2 Cl3 I -","- C24 H8 Cl12 I4 -","4","1","AT2119","Shaikh, Nadim S.; Swenson, Dale C.; Lehmler, Hans-J.","2,3,6-Trichloroiodobenzene","Acta Crystallographica Section E","2006","62","10","o4672","o4673","10.1107/S1600536806038426","","","0.71069","MoKα","","0.0421","0.0337","","","0.084","0.0892","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210486","7.365","0.002","12.978","0.004","13.547","0.004","62.937","0.004","88.904","0.005","74.845","0.005","1105.5","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-(2,4-Dinitrophenyl)-2-[4-methoxy-3-(4- methylbenzenesulfonyloxy)benzylidene]hydrazine","","- C21 H18 N4 O8 S -","- C21 H18 N4 O8 S -","- C42 H36 N8 O16 S2 -","2","1","AT2120","Zhang, Qiao-Zhen; Zhao, Yan-Li; Chen, Xin; Yu, Ming","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[4-methoxy-3-(4-methylbenzenesulfonyloxy)benzylidene]hydrazine","Acta Crystallographica Section E","2006","62","10","o4668","o4669","10.1107/S1600536806038414","","","0.71073","MoKα","","0.0962","0.0487","","","0.1088","0.1306","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210487","7.844","0.004","12.887","0.007","23.631","0.013","90","","92.455","0.009","90","","2387","2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-1-[2-(2-Chlorobenzyloxy)benzylidene]-2-(2,4-dinitrophenyl)hydrazine N,N-dimethylformamide solvate","","- C23 H22 Cl N5 O6 -","- C23 H22 Cl N5 O6 -","- C92 H88 Cl4 N20 O24 -","4","1","AT2122","Zhao, Yan-Li; Zhang, Qiao-Zhen; Chen, Xin; Yu, Ming","(<i>Z</i>)-1-[2-(2-Chlorobenzyloxy)benzylidene]-2-(2,4-dinitrophenyl)hydrazine <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2006","62","10","o4734","o4735","10.1107/S1600536806039225","","","0.71073","MoKα","","0.0969","0.0438","","","0.1029","0.1321","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210488","16.85","0.005","14.868","0.004","15.19","0.004","90","","100.12","0.005","90","","3746.3","1.8","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-1-(4-Nitrophenyl)-2-[4-(2-phenoxyethoxy)benzylidene]hydrazine","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C168 H152 N24 O32 -","8","1","AT2123","Chen, Xin; Yu, Ming","(<i>E</i>)-1-(4-Nitrophenyl)-2-[4-(2-phenoxyethoxy)benzylidene]hydrazine","Acta Crystallographica Section E","2006","62","10","o4736","o4737","10.1107/S1600536806039237","","","0.71073","MoKα","","0.0865","0.0393","","","0.0847","0.1045","","","","","","0.987","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210489","12.964","0.006","13.055","0.006","17.128","0.008","89.403","0.008","77.192","0.007","86.657","0.009","2822","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-naphthylacetato-κ^2^O,O)(1,10-phenanthroline-κ^2^N,N)zinc(II)","","- C36 H26 N2 O4 Zn -","- C36 H26 N2 O4 Zn -","- C144 H104 N8 O16 Zn4 -","4","2","AT2124","Liu, Y.-F; Xia, H.-T; Yang, S.-P; Wang, D.-Q","Bis(1-naphthylacetato-κ^2^<i>O</i>,<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)zinc(II)","Acta Crystallographica Section E","2006","62","10","m2753","m2755","10.1107/S1600536806039249","","","0.71073","MoKα","","0.1545","0.0822","","","0.2116","0.2759","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210490","12.2382","0.0015","21.031","0.003","22.14","0.003","90","","90","","90","","5698.4","1.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1,10-phenanthrolinium bis(1,10-phenanthroline)copper(I) dodecamolybdophosphate, (C~12~H~10~N~2~)[Cu(C~12~H~8~N~2~)~2~][PMo~12~O~40~]","","- C36 H26 Cu Mo12 N6 O40 P -","- C36 H24 Cu Mo12 N6 O40 P -","- C144 H96 Cu4 Mo48 N24 O160 P4 -","4","1","BC3014","Yu, Li; Bi, Dong-Qin; Wang, Jing-Ping","A new hybrid Keggin-type molybdophosphate: (H~2~phen)[Cu(phen)~2~][PMo~12~O~40~]","Acta Crystallographica Section E","2006","62","10","m2570","m2572","10.1107/S1600536806036506","","","0.71073","MoKα","","0.0308","0.0259","","","0.0457","0.0473","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210491","12.0225","0.0006","6.7301","0.0003","19.1118","0.001","90","","93.966","0.003","90","","1542.68","0.13","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,2',3,3'-tetramethyl-6,6'-biquinoxaline","2,2',3,3'-tetramethyl-6,6'-biquinoxaline","","- C20 H18 N4 -","- C20 H18 N4 -","- C80 H72 N16 -","4","0.5","BG2005","Ralph Nicholas Salvatore; Jorden Paul Kass; Ricky Joseph Paul Gibson; Cesar H. Zambrano; Robert D. Pike; Eric Efrain Dueno","2,2',3,3'-Tetramethyl-6,6'-biquinoxaline","Acta Crystallographica Section E","2006","62","10","o4547","o4548","10.1107/S1600536806037093","","","1.54178","CuKα","","0.0496","0.0388","","","0.1011","0.111","","","","","","1.04","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210492","8.7271","0.0017","22.245","0.004","8.2234","0.0016","90","","92.739","0.003","90","","1594.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ-trans-N,N'-Bis(3-aminopropyl)oxamidato(2-)]bis[(methanol)picratocopper(II)]","","- C22 H28 Cu2 N10 O18 -","- C22 H28 Cu2 N10 O18 -","- C44 H56 Cu4 N20 O36 -","2","0.5","BG2007","Yu-Lan Song; Yan-Tuan Li; Zhi-Yong Wu; Gui-Ling Zhang; Fen Sun","[μ-<i>trans</i>-<i>N</i>,<i>N</i>'-Bis(3-aminopropyl)oxamidato(2‒)]bis[(methanol)picratocopper(II)]","Acta Crystallographica Section E","2006","62","10","m2558","m2560","10.1107/S1600536806036129","","","0.71073","MoKα","","0.0492","0.033","","","0.0782","0.0876","","","","","","1.013","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210493","23.4483","0.0001","8.5304","0.0004","22.5347","0.0005","90","","90","","90","","4507.5","0.2","295","","","","","","","","","","","5","P c a 21","P 2c -2ac","","","trans-diamminetetranitrocobalt(III)","","- C12 H34 Co N7 O8 -","- C12 H34 Co N7 O8 -","- C96 H272 Co8 N56 O64 -","8","2","BH2033","Vermani, Bal Krishan; Sharma, Raj Pal; Gill, Dip Singh; Pretto, Loretta; Ferretti, Valeria","Tetrapropylammonium <i>trans</i>-diamminetetranitrocobaltate(III)","Acta Crystallographica Section E","2006","62","10","m2412","m2414","10.1107/S1600536806034313","","","0.71073","MoKα","","","0.0507","","","","0.1365","","","","","","1.032","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210494","7.055","0.002","8.058","0.003","30.691","0.01","90","","91.716","0.004","90","","1744","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-(3-Bromo-5-chloro-2-hydroxybenzylideneamino)-1,5-dimethyl-2-phenyl- 1H-pyrazol-3(2H)-one","","- C18 H15 Br Cl N3 O2 -","- C18 H15 Br Cl N3 O2 -","- C72 H60 Br4 Cl4 N12 O8 -","4","1","BH2040","Zhang, Xin-Li; Li, Zong-Xiao","4-(3-Bromo-5-chloro-2-hydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4396","o4397","10.1107/S1600536806034787","","","0.71073","MoKα","","0.0684","0.0472","","","0.1028","0.1097","","","","","","1.018","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210495","7.3423","0.0016","19.487","0.004","20.022","0.004","90","","90","","90","","2864.7","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Benzenesulfonyl-5-chloro-2,4-dimethoxybenzene","","- C14 H13 Cl O4 S -","- C14 H13 Cl O4 S -","- C112 H104 Cl8 O32 S8 -","8","1","BH2042","Wu, Ya","1-Benzenesulfonyl-5-chloro-2,4-dimethoxybenzene","Acta Crystallographica Section E","2006","62","10","o4272","o4273","10.1107/S1600536806034647","","","0.71073","MoKα","","0.0819","0.0398","","","0.0883","0.1066","","","","","","1.014","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210496","11.491","0.002","11.728","0.002","13.601","0.003","89.44","0.03","71.07","0.03","76.07","0.03","1678.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Fluorophenyl)-1,5-diphenyl-2-pyrazoline","","- C21 H17 F N2 -","- C21 H17 F N2 -","- C84 H68 F4 N8 -","4","2","BH2043","Guo, Huan-Mei; Jian, Fang-Fang; Zhou, Li-You; Zhao, Pu-Su; Zheng, Jian","3-(4-Fluorophenyl)-1,5-diphenyl-2-pyrazoline","Acta Crystallographica Section E","2006","62","10","o4337","o4338","10.1107/S1600536806035653","","","0.71073","MoKα","","0.1274","0.0496","","","0.1259","0.1562","","","","","","1.007","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210497","5.7365","0.0012","10.903","0.003","15.362","0.003","90","","90","","90","","960.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[triaquacadmium(II)]-μ~2~-pyrazine-2,3-dicarboxylato]","","- C6 H8 Cd N2 O7 -","- C6 H8 Cd N2 O7 -","- C24 H32 Cd4 N8 O28 -","4","1","BH2044","Ma, Yi; He, Yong-Ke; Han, Zheng-Bo","<i>catena</i>-Poly[[triaquacadmium(II)]-μ~2~-pyrazine-2,3-dicarboxylato]","Acta Crystallographica Section E","2006","62","10","m2528","m2529","10.1107/S1600536806035793","","","0.71073","MoKα","","0.0381","0.0336","","","0.0859","0.0896","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210498","8.282","0.005","10.578","0.006","9.625","0.006","90","","114.1","0.008","90","","769.7","0.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-2,2'-[(2-Butene-1,4-diyl)dithio]bis(4,5-dihydro-1,3-thiazine)","","- C12 H18 N2 S4 -","- C12 H18 N2 S4 -","- C24 H36 N4 S8 -","2","0.5","BH2046","Wang, Jing; Wang, Wei; Chi, Hai-Jun; Yang, Qing-Shan","<i>trans</i>-2,2'-[(2-Butene-1,4-diyl)dithio]bis(4,5-dihydro-1,3-thiazine)","Acta Crystallographica Section E","2006","62","10","o4621","o4622","10.1107/S1600536806038190","","","0.71073","MoKα","","0.077","0.0501","","","0.1241","0.144","","","","","","1.057","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210499","10.569","0.004","17.648","0.006","13.797","0.005","90","","105.287","0.005","90","","2482.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Au2 Cl2 O8 P4 -","- C50 H44 Au2 Cl2 O8 P4 -","- C100 H88 Au4 Cl4 O16 P8 -","2","0.5","BH2047","Cao, Qian-Yong; Yin, Bei; Liu, Jing-Hua","Bis[μ-bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']digold(I) bis(perchlorate)","Acta Crystallographica Section E","2006","62","10","m2730","m2731","10.1107/S1600536806038542","","","0.71073","MoKα","","0.0637","0.0377","","","0.0717","0.079","","","","","","0.947","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210500","8.7209","0.0003","9.9919","0.0003","15.3906","0.0004","90","","97.853","0.002","90","","1328.53","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-7-(salicylideneamino)coumarin","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","BI2044","Aazam, Elham S.; Fawzia, Amal; Peter B. Hitchcock","4-Methyl-7-(salicylideneamino)coumarin","Acta Crystallographica Section E","2006","62","10","o4285","o4287","10.1107/S1600536806034519","","","0.71073","MoKα","","0.0454","0.0365","","","0.0929","0.0994","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210501","8.8944","0.0004","11.2015","0.0005","23.6518","0.0009","90","","98.564","0.003","90","","2330.17","0.17","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-(4-Bromobenzylamino)purine","","- C12 H10 Br N5 -","- C12 H10 Br N5 -","- C96 H80 Br8 N40 -","8","1","BI2055","Trávníček, Zdeněk; Maľarová-Matiková, Miroslava","6-(4-Bromobenzylamino)purine","Acta Crystallographica Section E","2006","62","10","o4377","o4379","10.1107/S1600536806035872","","","0.71073","MoKα","","0.0311","0.0292","","","0.0704","0.0712","","","","","","1.194","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210502","7.7105","0.0014","8.3328","0.0018","14.454","0.002","74.44","0.03","83.07","0.03","69.18","0.03","835.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,5-dimethylbenzamide","","- C18 H17 N3 O2 S -","- C18 H17 N3 O2 S -","- C36 H34 N6 O4 S2 -","2","1","BI2057","Wan, Rong; Wu, Feng; Han, Feng; Wang, Jin-Tang","<i>N</i>-[5-(4-Methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,5-dimethylbenzamide","Acta Crystallographica Section E","2006","62","10","o4412","o4413","10.1107/S1600536806036336","","","0.71073","MoKα","","0.0806","0.0523","","","0.1387","0.1617","","","","","","0.997","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210503","8.4001","0.0004","27.434","0.0014","9.626","0.0005","90","","98.24","0.001","90","","2195.39","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pentaaqua-1κ^5^O-(μ-pyridine-2,6-dicarboxylato- 1κO^2^:2κ^3^O^2'^,N,O^6^)(pyridine-2,6-dicarboxylato- 2κ^3^O^2^,N,O^6^)dimanganese(II) dihydrate","","- C14 H20 Mn2 N2 O15 -","- C14 H20 Mn2 N2 O15 -","- C56 H80 Mn8 N8 O60 -","4","1","BI2058","Liu, Ying; Dou, Jian-Min; Wang, Da-Qi; Zhang, Xian-Xi; Zhou, Lei","Pentaaqua-1κ^5^<i>O</i>-(μ-pyridine-2,6-dicarboxylato-1κ<i>O</i>^2^:2κ^3^<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^)(pyridine-2,6-dicarboxylato-2κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)dimanganese(II) dihydrate","Acta Crystallographica Section E","2006","62","10","m2526","m2527","10.1107/S1600536806035938","","","0.71073","MoKα","","0.0621","0.043","","","0.0943","0.1051","","","","","","1.12","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210504","11.1149","0.0019","8.1943","0.0013","14.122","0.002","90","","93.554","0.003","90","","1283.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[5-(3,6-Dichloropyridin-2-yl)-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone","","- C11 H11 Cl2 N3 O2 -","- C11 H11 Cl2 N3 O2 -","- C44 H44 Cl8 N12 O8 -","4","1","BI2059","Song, Qing-Bao; Zhang, Jie; Yu Dong; Tiekink, Edward R. T.","1-[5-(3,6-Dichloropyridin-2-yl)-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone","Acta Crystallographica Section E","2006","62","10","o4388","o4390","10.1107/S1600536806035926","","","0.71073","MoKα","","0.042","0.04","","","0.123","0.135","","","","","","1.18","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210505","13.735","0.003","9.862","0.002","18.218","0.004","90","","110.35","0.03","90","","2313.7","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-carboxylatomethyl-3-carboxymethyl-2-oxo-2,3- dihydroimidazo[1,2-<i>a</i>]pyridin-1-ium","","- C11 H10 N2 O5 -","- C11 H10 N2 O5 -","- C88 H80 N16 O40 -","8","1","BI2060","Shu Qiao; Guo-Ping Yong; Yu Xie; Zhi-Yong Wang","Zwitterionic 3-carboxylatomethyl-3-carboxymethyl-2-oxo-2,3-dihydroimidazo[1,2-<i>a</i>]pyridin-1-ium","Acta Crystallographica Section E","2006","62","10","o4634","o4635","10.1107/S1600536806037421","","","0.71073","MoKα","","0.0689","0.0628","","","0.1578","0.1615","","","","","","1.125","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210506","9.64","0.004","13.651","0.004","15.952","0.005","84.309","0.004","78.972","0.004","82.091","0.002","2035.1","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Tris[bis(μ-1,10-phenanthroline-2-olato)dicopper(I)] monosodium trihydrogen β-octamolybdate hemihydrate","","- C72 H46 Cu6 Mo8 N12 Na O32.5 -","- C72 H42 Cu6 Mo8 N12 Na O32.5 -","- C72 H42 Cu6 Mo8 N12 Na O32.5 -","1","0.5","BI2061","Li, Ming-Xue; Ma, Peng-Tao; Wang, Jing-Ping","Tris[bis(μ-1,10-phenanthrolin-2-olato)dicopper(I)] monosodium trihydrogen β-octamolybdate hemihydrate","Acta Crystallographica Section E","2006","62","10","m2661","m2663","10.1107/S1600536806037433","","","0.71073","MoKα","","0.0907","0.0585","","","0.1442","0.1586","","","","","","1.004","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210507","8.854","0.002","13.35","0.003","15.245","0.004","90","","104.513","0.004","90","","1744.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Oxalato-bis[(1,4,8,11-tetraazacyclotetradecane)nickel(II)] bis(perchlorate) hemihydrate","","- C22 H49 Cl2 N8 Ni2 O12.5 -","- C22 H48 Cl2 N8 Ni2 O12.5 -","- C44 H96 Cl4 N16 Ni4 O25 -","2","0.5","BI2062","Hui Liu; Wu Gu; Xiao-Lan Tong; Ying-Ying Kou; Shi-Ping Yan","μ-Oxalato-bis[(1,4,8,11-tetraazacyclotetradecane)nickel(II)] bis(perchlorate) hemihydrate","Acta Crystallographica Section E","2006","62","10","m2704","m2705","10.1107/S1600536806037901","","","0.71073","MoKα","","0.0973","0.0472","","","0.1041","0.1283","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210508","7.9459","0.0012","11.5115","0.0018","17.826","0.005","90","","95.671","0.017","90","","1622.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Carboxymethylpyridinium-2-carboxylate","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","2","BI2063","Song, Li; Li, Hong-Song; Song, Bao-Dong","1-Carboxymethylpyridinium-2-carboxylate","Acta Crystallographica Section E","2006","62","10","o4656","o4657","10.1107/S1600536806038062","","","0.71073","MoKα","","0.0945","0.0551","","","0.1348","0.1578","","","","","","0.988","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210509","13.378","0.001","7.8668","0.0006","24.931","0.002","90","","90","","90","","2623.8","0.4","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Methyl-3-methylsulfinyl-5-phenyl-1-benzofuran","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C128 H112 O16 S8 -","8","1","BI2066","Choi, Hong Dae; Seo, Pil Ja; Lee, Hee Kyung; Son, Byeng Wha; Lee, Uk","2-Methyl-3-methylsulfinyl-5-phenyl-1-benzofuran","Acta Crystallographica Section E","2006","62","10","o4480","o4481","10.1107/S1600536806036270","","","0.71073","MoKα","","0.0404","0.0352","","","0.0956","0.1006","","","","","","1.054","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210510","15.2781","0.0019","15.2781","0.0019","13.559","0.004","90","","90","","90","","3164.9","1.1","293","2","293","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","Tris(ethylenediamine)cobalt(III) tetrathioarsenate","","- C6 H24 As Co N6 S4 -","- C6 H24 As Co N6 S4 -","- C48 H192 As8 Co8 N48 S32 -","8","1","BI2068","Zhan Hu; Li-Qin Dang; Duan-Hai Bao; Yong-Lin An","Tris(ethylenediamine)cobalt(III) tetrathioarsenate(V)","Acta Crystallographica Section E","2006","62","10","m2756","m2757","10.1107/S1600536806039031","","","0.71073","MoKα","","0.04","0.027","","","0.0439","0.0471","","","","","","0.971","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210511","25.2665","0.0013","10.9129","0.0006","18.7274","0.001","90","","121.666","0.001","90","","4395","0.4","186","2","186","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[bis(triethylammonium) tetraethylammonium hexacosaoxopotassiooctamolybdate]","","- C20 H52 K Mo8 N3 O26 -","- C20 H52 K Mo8 N3 O26 -","- C80 H208 K4 Mo32 N12 O104 -","4","0.5","BI2069","Bo Liu; Chuan-Bi Li; Zhou Shi; Yan-Wei Li","Poly[bis(triethylammonium) tetraethylammonium hexacosaoxopotassiooctamolybdate]","Acta Crystallographica Section E","2006","62","10","m2764","m2766","10.1107/S1600536806039110","","","0.71073","MoKα","","0.0484","0.0352","","","0.0896","0.0974","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210512","19.613","0.004","16.257","0.003","18.031","0.004","90","","122.203","0.003","90","","4864.7","1.7","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Di-μ-iodo-bis({2-[(diphenylphosphoryl)methylamino]-7-methyl-1,8- naphthyridine-κN^8^}copper(I)) dichloromethane solvate","","- C45 H42 Cl2 Cu2 I2 N6 O2 P2 -","- C45 H42 Cl2 Cu2 I2 N6 O2 P2 -","- C180 H168 Cl8 Cu8 I8 N24 O8 P8 -","4","0.5","BI2070","Zhang, Jun-Feng; Yu, Ming-Ming; Chen, Yong; Ou, Xue-Mei; Fu, Wen-Fu","Di-μ-iodo-bis({2-[(diphenylphosphoryl)methylamino]-7-methyl-1,8-naphthyridine-κ<i>N</i>^8^}copper(I)) dichloromethane solvate","Acta Crystallographica Section E","2006","62","10","m2758","m2760","10.1107/S1600536806039018","","","0.71073","MoKα","","0.1299","0.0539","","","0.1251","0.1662","","","","","","1.005","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210513","8.3925","0.0004","10.7997","0.0006","17.4788","0.001","89.8891","0.0008","85.191","0.0007","78.4996","0.0008","1546.77","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Tetrahydronium hexaaquacobalt(II) bis{[propane-1,3-diyldiamine-N,N,N',N'-tetraacetato]cobalt(III)} octamolybdate hexahydrate","","- C22 H64 Co3 Mo8 N4 O58 -","- C22 H64 Co3 Mo8 N4 O58 -","- C22 H64 Co3 Mo8 N4 O58 -","1","0.5","BR2015","De-Wu Sun; Qi Zhang; Hong-Ju Zhai","Tetrahydronium hexaaquacobalt(II) bis{[propane-1,3-diyldiamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato]cobaltate(III)} octamolybdate hexahydrate","Acta Crystallographica Section E","2006","62","10","m2770","m2772","10.1107/S160053680603950X","","","0.71069","MoKα","","0.0396","0.0293","","","0.0752","0.0872","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210514","6.141","0.0012","6.789","0.0014","16.071","0.003","90","","90","","90","","670","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","5-Bromo-2-iodopyrimidine","","- C4 H2 Br I N2 -","- C4 H2 Br I N2 -","- C16 H8 Br4 I4 N8 -","4","0.5","BT2153","Xing, Zhi-Tao; Wang, Hai-Bo; Ding, Wei-Lin; Liu, Zhi-Qian; Wang, Pin-Liang","5-Bromo-2-iodopyrimidine","Acta Crystallographica Section E","2006","62","10","o4238","o4239","10.1107/S1600536806034799","","","0.71073","MoKα","","0.0997","0.0479","","","0.0785","0.0909","","","","","","0.999","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210515","13.12","0.002","7.596","0.001","10.391","0.002","90","","116.357","0.003","90","","927.9","0.3","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2'-(1,2-dihydroxyethane-1,2-diyl)bis(benzimidazolylium) dinitrate","","- C16 H16 N6 O8 -","- C16 H16 N6 O8 -","- C32 H32 N12 O16 -","2","0.5","BT2176","Shen, Qiong; Shen, Xing-Can; Zeng, Ming-Hua; Ng, Seik Weng","Racemic 2,2'-(1,2-dihydroxyethane-1,2-diyl)bis(benzimidazolium) dinitrate","Acta Crystallographica Section E","2006","62","10","o4523","o4524","10.1107/S1600536806037044","","","0.71073","MoKα","","0.08","0.077","","","0.228","0.234","","","","","","1.06","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210516","11.3725","0.0006","14.052","0.0008","20.535","0.001","90","","97.058","0.001","90","","3256.8","0.3","123","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3'-(3,6-dihydroxy-p-phenylene)bis(4,7-dihydroxy-2H-chromen-2-one) dimethylformamide trisolvate","","- C33 H35 N3 O13 -","- C33 H35 N3 O13 -","- C132 H140 N12 O52 -","4","1","BT2177","Shen, Qiong; Zeng, Ming-Hua; Ng, Seik Weng","3,3'-(3,6-Dihydroxy-<i>p</i>-phenylene)bis(4,7-dihydroxy-2<i>H</i>-chromen-2-one) dimethylformamide trisolvate","Acta Crystallographica Section E","2006","62","10","o4732","o4733","10.1107/S1600536806036786","","","0.71073","MoKα","","0.092","0.062","","","0.147","0.164","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210517","7.1835","0.0002","11.7581","0.0003","15.0077","0.0004","103.199","0.001","98.267","0.001","92.672","0.001","1217.14","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis(3,5-dinitrobenzoate-κ<i>O</i>)nickel(II) tetrahydrate","","- C14 H22 N4 Ni O20 -","- C14 H22 N4 Ni O20 -","- C28 H44 N8 Ni2 O40 -","2","1","BT2178","Chen, Peng-Gang; Gao, Shan; Ng, Seik Weng","Tetraaquabis(3,5-dinitrobenzoato-κ<i>O</i>)nickel(II) tetrahydrate","Acta Crystallographica Section E","2006","62","10","m2623","m2624","10.1107/S1600536806037068","","","0.71073","MoKα","","0.038","0.033","","","0.088","0.097","","","","","","1.06","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210518","7.7799","0.0002","17.6741","0.0004","7.368","0.0002","90","","94.0056","0.0011","90","","1010.65","0.04","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[diacetonitriledi-μ-cyano-lithium(I)silver(I)]","","- C6 H6 Ag Li N4 -","- C6 H6 Ag Li N4 -","- C24 H24 Ag4 Li4 N16 -","4","1","BT2179","Klapötke, Thomas M.; Krumm, Burkhard; Mayer, Peter; Scherr, Matthias; Schwab, Ingo","Lithium dicyanoargentate(I) acetonitrile disolvate","Acta Crystallographica Section E","2006","62","10","m2666","m2667","10.1107/S1600536806037548","","","0.71073","MoKα","","0.0433","0.0308","","","0.0736","0.0785","","","","","","1.081","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210519","8.8952","0.0014","5.6792","0.0009","10.1049","0.0018","90","","91.378","0.014","90","","510.33","0.15","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[μ~4~-hexafluorosilicato-bis[acetonitrilesilver(I)]]","","- C4 H6 Ag2 F6 N2 Si -","- C4 H6 Ag2 F6 N2 Si -","- C8 H12 Ag4 F12 N4 Si2 -","2","0.5","BT2180","Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias","Bis[acetonitrilesilver(I)] hexafluorosilicate","Acta Crystallographica Section E","2006","62","10","m2634","m2635","10.1107/S1600536806037020","","","0.71073","MoKα","","0.0487","0.0453","","","0.1119","0.117","","","","","","1.115","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210520","22.552","0.002","9.076","0.001","19.107","0.002","90","","100.503","0.001","90","","3845.3","0.7","293","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-methyl-1H-indole-3-carbaldehyde benzoylhydrazonato-κ^2^N,O)copper(II) pyridine disolvate","","- C44 H38 Cu N8 O2 -","- C44 H38 Cu N8 O2 -","- C176 H152 Cu4 N32 O8 -","4","0.5","BT2181","Ali, Hapipah M.; Najwa, Mohd Idris; Xie, Ming-Jin; Ng, Seik Weng","Bis(2-methyl-1<i>H</i>-indole-3-carbaldehyde benzoylhydrazonato-κ^2^<i>N</i>,<i>O</i>)copper(II) pyridine disolvate","Acta Crystallographica Section E","2006","62","10","m2627","m2628","10.1107/S1600536806037202","","","0.71073","MoKα","","0.05","0.036","","","0.096","0.105","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210521","7.909","0.001","11.2","0.001","13.239","0.001","106.41","0.002","106.327","0.002","100.39","0.002","1035.71","0.18","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4-[(Z)-(2,4-Dimethylphenylamino)phenylmethylene]-3-methyl-1-phenyl-1H- pyrazol-5(4H)-one","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C50 H46 N6 O2 -","2","1","BT2182","Ma, Rong-Ming; Sun, Shao-Fa; Ng, Seik Weng","4-[(<i>Z</i>)-(2,4-Dimethylphenylamino)phenylmethylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4679","o4680","10.1107/S1600536806038438","","","0.71073","MoKα","","0.129","0.054","","","0.105","0.13","","","","","","0.83","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210522","24.478","0.001","14.8835","0.0006","12.6757","0.0005","90","","99.366","0.001","90","","4556.4","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{4-[(Z)-(2,4-dimethylphenylamino)phenylmethylene]-3-methyl-1-phenyl-1H- pyrazol-5(4H)-onatoκ^2^N,O}(ethanol-κO)nickel(II)","","- C52 H50 N6 Ni O3 -","- C52 H50 N6 Ni O3 -","- C208 H200 N24 Ni4 O12 -","4","1","BT2183","Ma, Rong-Ming; Sun, Shao-Fa; Ng, Seik Weng","Bis{4-[(<i>Z</i>)-(2,4-dimethylphenylamino)phenylmethylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-onato-κ^2^<i>N</i>,<i>O</i>}(ethanol-κ<i>O</i>)nickel(II)","Acta Crystallographica Section E","2006","62","10","m2723","m2724","10.1107/S160053680603844X","","","0.71073","MoKα","","0.085","0.057","","","0.134","0.151","","","","","","0.95","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210523","19.736","0.001","17.389","0.001","12.002","0.001","90","","102.234","0.001","90","","4025.4","0.5","293","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{(Z)-4-[(benzylamino)phenylmethylene]-3-methyl-1-phenylpyrazol-5(4H)- onato-κ^2^N^4^,O}cobalt(II)","","- C48 H40 Co N6 O2 -","- C48 H40 Co N6 O2 -","- C192 H160 Co4 N24 O8 -","4","1","BT2184","Ma, Rong-Ming; Sun, Shao-Fa; Ng, Seik Weng","Bis{[(<i>Z</i>)-4-(5-methyl-3-oxo-2-phenylpyrazol-4-yl)phenylmethylene]benzylamido-κ^2^<i>N</i>,<i>O</i>}cobalt(II)","Acta Crystallographica Section E","2006","62","10","m2711","m2712","10.1107/S1600536806038049","","","0.71073","MoKα","","0.074","0.054","","","0.143","0.155","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210524","8.4072","0.0005","11.2593","0.0007","11.5788","0.0007","71.036","0.001","86.84","0.001","84.209","0.001","1030.97","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 4-{4-[2-(dimethylamino)ethoxy]phenyl}-2,6-dimethyl-1,4-dihydropyridine- 3,5-dicarboxylate","","- C21 H28 N2 O5 -","- C21 H28 N2 O5 -","- C42 H56 N4 O10 -","2","1","BT2186","Sundar, T. V.; Parthasarathi, V.; Priyanka Jain; Bansal, Ranju; Ravikumar, K.","Dimethyl 4-{4-[2-(dimethylamino)ethoxy]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","10","o4699","o4701","10.1107/S1600536806038463","","","0.71073","MoKα","","0.0506","0.045","","","0.1311","0.1357","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210525","6.1342","0.0012","15.433","0.003","19.029","0.004","90","","90","","90","","1801.5","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16α,17α-Epoxypregna-11α-hydroxy-1,4-diene-3,20-dione","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","BV2031","Hai-Yang Jiang; Yong-Li Wang; Lina Zhou","16α,17α-Epoxypregna-11α-hydroxy-1,4-diene-3,20-dione","Acta Crystallographica Section E","2006","62","10","o4446","o4447","10.1107/S1600536806036014","","","0.71073","MoKα","","0.106","0.0553","","","0.0924","0.105","","","","","","1.084","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210526","8.723","0.005","7.853","0.005","19.591","0.012","90","","101.662","0.008","90","","1314.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquadichloro(η~5~-pentamethylcyclopentadienyl)iridium(III)","","- C10 H17 Cl2 Ir O -","- C10 H17 Cl2 Ir O -","- C40 H68 Cl8 Ir4 O4 -","4","1","BV2032","Li Ma; Wen-Jie Zhao; Kui Lu","Aquadichloro(η^5^-pentamethylcyclopentadienyl)iridium(III)","Acta Crystallographica Section E","2006","62","10","m2524","m2525","10.1107/S1600536806035392","","","0.71073","MoKα","","0.0423","0.0371","","","0.0818","0.0834","","","","","","1.258","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210527","10.783","0.002","12.049","0.002","17.613","0.003","90","","93.249","0.004","90","","2284.7","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(methyl 2-pyridylmethylidenehydrazinecarbodithioato)cobalt(III) perchlorate","","- C16 H16 Cl Co N6 O4 S4 -","- C16 H16 Cl Co N6 O4 S4 -","- C64 H64 Cl4 Co4 N24 O16 S16 -","4","1","BV2033","Qing-Guang Zhan; Guo-Bi Li; Rong-Hua Zeng; He-Ping Zeng; Yue-Peng Cai","Bis(methyl 2-pyridylmethylidenehydrazinecarbodithioato)cobalt(III) perchlorate","Acta Crystallographica Section E","2006","62","10","m2639","m2641","10.1107/S160053680603652X","","","0.71073","MoKα","","0.0901","0.0483","","","0.1067","0.1261","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210528","8.5","0.005","12.679","0.006","12.428","0.006","90","","99.96","0.02","90","","1319.2","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(4-Quinolinoxy)phthalonitrile","3-(4-Quinolinoxy)phthalonitrile","","- C17 H9 N3 O -","- C17 H9 N3 O -","- C68 H36 N12 O4 -","4","1","BX2020","Xue, Jin-Ping; Cai, Li-Xuan; Yu, Hai-Yan; Chen, Nai-Sheng","3-(Quinolin-4-yloxy)phthalonitrile","Acta Crystallographica Section E","2006","62","10","o4585","o4586","10.1107/S1600536806037639","","","0.71069","MoKα","","0.0933","0.0452","","","0.1033","0.1215","","","","","","1.006","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210529","6.939","0.003","7.743","0.004","10.939","0.005","100.685","0.007","90.65","0.008","110.307","0.007","539.8","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1-(2,4-Difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one","","- C11 H9 F2 N3 O -","- C11 H9 F2 N3 O -","- C22 H18 F4 N6 O2 -","2","1","BX2021","Wang, Chen-Yi; Guo, Ling-Xiang; Chen, Jian-Zhong; Xia, Ping","1-(2,4-Difluorophenyl)-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-1-one","Acta Crystallographica Section E","2006","62","10","o4331","o4332","10.1107/S1600536806035215","","","0.71073","MoKα","","0.0653","0.0408","","","0.1052","0.1256","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210530","8.966","0.003","12.037","0.003","14.349","0.004","72.09","0.02","83.67","0.02","82.02","0.02","1455.5","0.8","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-benzyloxycarbonyl-5-[2,2-bis(benzyloxycarbonyl)vinyl]- 3-methylpyrrole-2-carboxylate","","- C34 H31 N O8 -","- C34 H31 N O8 -","- C68 H62 N2 O16 -","2","1","BX2023","Senge, Mathias O.; Smith, Kevin M.","Ethyl 4-benzyloxycarbonyl-5-[2,2-bis(benzyloxycarbonyl)vinyl]-3-methylpyrrole-2-carboxylate","Acta Crystallographica Section E","2006","62","10","o4660","o4662","10.1107/S1600536806038359","","","0.71073","MoKα","","0.0965","0.0604","","","0.1194","0.134","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210531","11.9213","0.0015","13.7673","0.0016","13.9489","0.0016","109.137","0.002","112.534","0.002","103.398","0.002","1822.5","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Bis[bis(dicyclohexylphosphino)methane-κ^2^<i>P</i>,<i>P</i>']platinum(II) bis(perchlorate) 1,2-dichloroethane tetrasolvate","","- C58 H108 Cl10 O8 P4 Pt -","- C58 H108 Cl10 O8 P4 Pt -","- C58 H108 Cl10 O8 P4 Pt -","1","0.5","BX2024","Yong, Chen; Xi-Juan, Zhao; Wen-Fu, Fu","Bis[bis(dicyclohexylphosphino)methane-κ^2^<i>P</i>,<i>P</i>']platinum(II) bis(perchlorate) 1,2-dichloroethane tetrasolvate","Acta Crystallographica Section E","2006","62","10","m2773","m2774","10.1107/S1600536806039535","","","0.71073","MoKα","","0.0337","0.0325","","","0.0806","0.0818","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210532","8.298","0.002","14.988","0.003","17.932","0.004","101.9","0.03","99.64","0.03","103.38","0.03","2068.1","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(μ~3~-methanol)bis(methanol-κ<i>O</i>)(μ~2~-tri-<i>tert</i>- butoxysilanethiolato-κ^3^S;S,O)bis(tri-<i>tert</i>-butoxysilanethiolato- κ^2^<i>S</i>,<i>O</i>)tetrasodium(I)","","- C54 H132 Na4 O18 S4 Si4 -","- C54 H132 Na4 O18 S4 Si4 -","- C54 H132 Na4 O18 S4 Si4 -","1","0.5","BX2025","Magdalena Kloskowska; Jarosław Chojnacki; Wiesław Wojnowski; Barbara Becker","Tetrakis(μ~2~-methanol)bis(methanol-κ<i>O</i>)(μ~2~-tri-<i>tert</i>-butoxysilanethiolato-κ^3^<i>S</i>:<i>S</i>,<i>O</i>)bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>S</i>,<i>O</i>)tetrasodium(I)","Acta Crystallographica Section E","2006","62","10","m2476","m2478","10.1107/S1600536806035070","","","0.71073","MoKα","","0.0654","0.0373","","","0.1153","0.1446","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210533","11.232","0.004","7.759","0.003","30.973","0.011","90","","90","","90","","2699.3","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triaqua[N-(5-formysalicylidene)glycinato(2-)-κ^3^O,N,O']zinc(II) monohydrate","","- C10 H15 N O8 Zn -","- C10 H15 N O8 Zn -","- C80 H120 N8 O64 Zn8 -","8","1","BX2026","Jin-Hua Cai; Ying-Heng Huang; Yi-Min Jiang","Triaqua[<i>N</i>-(5-formysalicylidene)glycinato(2‒)-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']zinc(II) monohydrate","Acta Crystallographica Section E","2006","62","10","m2432","m2434","10.1107/S1600536806034581","","","0.71073","MoKα","","0.0502","0.0372","","","0.0947","0.0985","","","","","","1.049","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210534","25.4415","0.0006","12.4043","0.0003","20.1696","0.0005","90","","90","","90","","6365.2","0.3","293","2","","","","","","","","","","6","F d d 2","F 2 -2d","43","","Hexakis(dimethyl sulfoxide)manganese(II) bis(perchlorate)","","- C12 H36 Cl2 Mn O14 S6 -","- C12 H36 Cl2 Mn O14 S6 -","- C96 H288 Cl16 Mn8 O112 S48 -","8","0.5","CI2099","A. Migdał-Mikuli; E. Szostak; W. Nitek","Hexakis(dimethyl sulfoxide)manganese(II) bis(perchlorate)","Acta Crystallographica Section E","2006","62","10","m2581","m2582","10.1107/S1600536806036026","","","0.71073","MoKα","","","0.0441","","","","0.1155","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2210536","9.3185","0.0012","25.148","0.003","11.7267","0.0014","90","","110.288","0.003","90","","2577.6","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium di-μ-methoxo-μ-pyridin-2-olato-bis[tricarbonylrhenium(I)]","","- C21 H30 N2 O9 Re2 -","- C21 H30 N2 O9 Re2 -","- C84 H120 N8 O36 Re8 -","4","1","CI2152","Klausmeyer, Kevin K.; Beckles, Franklin R.","Tetraethylammonium di-μ-methoxo-μ-pyridin-2-olato-bis[tricarbonylrhenium(I)]","Acta Crystallographica Section E","2006","62","10","m2417","m2418","10.1107/S1600536806034805","","","0.71073","MoKα","","0.0314","0.0228","","","0.0427","0.0449","","","","","","1.066","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210537","10.0994","0.0005","10.1542","0.0005","11.98","0.0009","93.596","0.003","98.968","0.003","117.066","0.002","1068.1","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl N,N'-bis(3,4,5-trimethoxyphenyl)phosphorodiamidate","","- C20 H29 N2 O8 P -","- C20 H29 N2 O8 P -","- C40 H58 N4 O16 P2 -","2","1","CI2153","Li, Chen-Guang; Robinson, Paul D.; Dyer, Daniel J.","Ethyl <i>N</i>,<i>N</i>'-bis(3,4,5-trimethoxyphenyl)phosphorodiamidate","Acta Crystallographica Section E","2006","62","10","o4233","o4235","10.1107/S1600536806034374","","","0.71073","MoKα","","0.049","0.038","","","0.084","0.089","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210538","23.9334","0.0014","7.2265","0.0005","13.9798","0.001","90","","107.135","0.005","90","","2310.6","0.3","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-2-hydroxy-6-[(o-tolyliminio)methyl]phenolate 0.07-hydrate","","- C14 H13.14 N O2.07 -","- C14 H13 N O2.07 -","- C112 H104 N8 O16.56 -","8","1","CI2154","Temel, Ersin; Albayrak, Çiĝdem; Büyükgüngör, Orhan; Odabaşoğlu, Mustafa","Zwitterionic (<i>E</i>)-2-hydroxy-6-[(<i>o</i>-tolyliminio)methyl]phenolate 0.07-hydrate","Acta Crystallographica Section E","2006","62","10","o4484","o4486","10.1107/S1600536806036774","","","0.71073","MoKα","","0.0682","0.0515","","","0.1365","0.1474","","","","","","1.027","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210539","11.524","0.003","7.7133","0.0019","24.89","0.006","90","","90","","90","","2212.4","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-hydroxyphenyl)isoindoline-1,3-dione","","- C14 H9 N O3 -","- C14 H9 N O3 -","- C112 H72 N8 O24 -","8","1","CI2156","Liang, Zu-Pei; Li, Jian","2-(4-Hydroxyphenyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2006","62","10","o4436","o4437","10.1107/S1600536806035963","","","0.71073","MoKα","","0.0981","0.0426","","","0.1069","0.1404","","","","","","0.918","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210540","13.6987","0.0003","9.21","0.0002","15.1404","0.0004","90","","113.091","0.001","90","","1757.15","0.07","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(2-pyridyl)naphthalene-1,4-carboxamide","","- C22 H16 N4 O2 -","- C22 H16 N4 O2 -","- C88 H64 N16 O8 -","4","1","CI2157","Lin-Hai Jing; Shao-Jin Gu; Huan-Xia Zhang","<i>N</i>,<i>N</i>'-Bis(2-pyridyl)naphthalene-1,4-carboxamide","Acta Crystallographica Section E","2006","62","10","o4268","o4269","10.1107/S1600536806035148","","","0.71073","MoKα","","0.0507","0.0475","","","0.1659","0.168","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210541","4.6152","0.0007","10.0698","0.0016","24.928","0.004","90","","90","","90","","1158.5","0.3","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-Hydroxylbenzoyl)-N'-(picolinoyl)hydrazine","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C52 H44 N12 O12 -","4","1","CI2159","Liu, Zhao-Di; Zhang, Shu-Ping; Chen, Shui-Sheng; Shao, Si-Chang","<i>N</i>-(2-Hydroxylbenzoyl)-<i>N</i>'-(picolinoyl)hydrazine","Acta Crystallographica Section E","2006","62","10","o4370","o4371","10.1107/S1600536806035501","","","0.71073","MoKα","","0.0514","0.0394","","","0.0975","0.1047","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210542","24.9039","0.0003","3.8474","0.0001","13.9069","0.0002","90","","94.923","0.001","90","","1327.58","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Bromophenyl)-1-(2,4-dichlorophenyl) prop-2-en-1-one","","- C15 H9 Br Cl2 O -","- C15 H9 Br Cl2 O -","- C60 H36 Br4 Cl8 O4 -","4","1","CI2160","Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","3-(4-Bromophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","10","o4380","o4381","10.1107/S1600536806035951","","","0.71073","MoKα","","0.0524","0.0298","","","0.0784","0.0975","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210543","18.7541","0.0009","21.9752","0.0011","5.0082","0.0003","90","","90","","90","","2064","0.19","295","2","295","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","2,4-Dibromo-6-(2-hydroxyethyliminiomethyl)phenolate","","- C9 H9 Br2 N O2 -","- C9 H9 Br2 N O2 -","- C72 H72 Br16 N8 O16 -","8","","CI2161","Sun, Yu-Xi; Zhang, Ran; Tian, Lai-Jin; Xu, Lai-Xiang; Sun Shan-Li","2,4-Dibromo-6-(2-hydroxyethyliminiomethyl)phenolate","Acta Crystallographica Section E","2006","62","10","o4433","o4435","10.1107/S1600536806036245","","","0.71073","MoKα","","0.0259","0.0239","","","0.0547","0.0553","","","","","","0.999","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210544","7.0295","0.0004","10.5127","0.0006","22.2438","0.0013","90","","90","","90","","1643.8","0.16","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 Cl O4 -","- C18 H17 Cl O4 -","- C72 H68 Cl4 O16 -","4","1","CI2162","P. S. Patil; Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; S. M. Dharmaprakash","1-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","10","o4448","o4449","10.1107/S1600536806036166","","","0.71073","MoKα","","0.1556","0.0581","","","0.1031","0.1388","","","","","","0.994","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210545","16.306","0.002","9.934","0.001","10.148","0.002","90","","95.17","0.002","90","","1637.1","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Azido{2-bromo-4-chloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}nickel(II)","","- C13 H17 Br Cl N5 Ni O -","- C13 H17 Br Cl N5 Ni O -","- C52 H68 Br4 Cl4 N20 Ni4 O4 -","4","1","CI2163","Chun-Bao Tang","Azido{2-bromo-4-chloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}nickel(II)","Acta Crystallographica Section E","2006","62","10","m2629","m2630","10.1107/S1600536806036294","","","0.71073","MoKα","","0.0717","0.0396","","","0.0826","0.0956","","","","","","1.012","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210546","8.282","0.0019","11.566","0.003","13.959","0.003","90","","97.545","0.005","90","","1325.6","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","Desmethylbergenin","3,4,8,9,10-pentahydroxy-2-hydroxymethyl-2,3,4,4a,6,10b- hexahydropyrano[3,2-<i>c</i>]isochromen-6-one hemihydrate","","- C13 H15 O9.5 -","- C13 H15 O9.5 -","- C52 H60 O38 -","4","1","CI2166","Zamarrud; Viqar Uddin Ahmad; Shazia Anjum; Farayl Vali Mohammad; M. Qaiser","Desmethylbergenin hemihydrate","Acta Crystallographica Section E","2006","62","10","o4626","o4628","10.1107/S1600536806037640","","","0.71073","MoKα","","0.0322","0.0306","","","0.0771","0.0788","","","","","","1.222","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210547","6.923","0.003","8.828","0.003","10.512","0.004","114.634","0.004","92.149","0.004","98.351","0.004","574.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","[1,2-Bis(1H-pyrrol-2-ylmethyleneamino)ethane-κ^4^N]iron(II)","","- C12 H12 Fe N4 -","- C12 H12 Fe N4 -","- C24 H24 Fe2 N8 -","2","1","CI2167","Ran, Jing-Wen; Gong, Dao-Jun; Li, Ya-Hong","[1,2-Bis(1<i>H</i>-pyrrol-2-ylmethyleneamino)ethane-κ^4^<i>N</i>]iron(II)","Acta Crystallographica Section E","2006","62","10","m2668","m2669","10.1107/S1600536806037871","","","0.71073","MoKα","","0.0545","0.0473","","","0.1202","0.1265","","","","","","1.008","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210548","15.533","0.003","10.822","0.002","16.003","0.003","90","","90","","90","","2690.1","0.9","292","2","292","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","trans-Bis{2-[(4-hydroxyphenethylimino)methyl]phenolato}zinc(II) monohydrate","","- C30 H30 N2 O5 Zn -","- C30 H30 N2 O5 Zn -","- C120 H120 N8 O20 Zn4 -","4","0.5","CI2168","Xu, Hua-Jie; Liu, Zhao-Di; Sheng, Liang-Quan","<i>trans</i>-Bis{2-[(4-hydroxyphenethylimino)methyl]phenolato}zinc(II) monohydrate","Acta Crystallographica Section E","2006","62","10","m2695","m2697","10.1107/S1600536806037718","","","0.71073","MoKα","","0.0963","0.0539","","","0.142","0.1611","","","","","","0.919","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210549","10.306","0.005","9.612","0.004","21.152","0.01","90","","90.377","0.009","90","","2095.3","1.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-[2-(2-Chlorobenzyloxy)benzylidene]-2-(2,4-dinitrophenyl)hydrazine N,N'-dimethylformamide solvate","","- C19 H23 N5 O7 -","- C19 H23 N5 O7 -","- C76 H92 N20 O28 -","4","1","CI2169","Shi, Jun","(<i>E</i>)-1-[2-(2-Chlorobenzyloxy)benzylidene]-2-(2,4-dinitrophenyl)hydrazine <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2006","62","10","o4601","o4602","10.1107/S1600536806037883","","","0.71073","MoKα","","0.1041","0.0432","","","0.1009","0.1462","","","","","","0.893","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210550","9.106","0.002","13.544","0.003","14.53","0.002","110.318","0.002","101.901","0.002","105.017","0.002","1533.9","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","N-Ethyl-2-(4-nitrophenoxy)-N-phenylacetamide","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","2","CI2170","Yang-Jun Ding; Guang Chen; Yu-Xia Liu","<i>N</i>-Ethyl-2-(4-nitrophenoxy)-<i>N</i>-phenylacetamide","Acta Crystallographica Section E","2006","62","10","o4581","o4582","10.1107/S1600536806037779","","","0.71073","MoKα","","0.1176","0.051","","","0.1141","0.1465","","","","","","0.964","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210551","9.87","0.002","10.65","0.002","13.896","0.003","90","","107.044","0.004","90","","1396.5","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-[6-(dimethylamino)pyridazin-3-yl]-5-methyl-1H-pyrazole-4-carboxylate","","- C13 H17 N5 O2 -","- C13 H17 N5 O2 -","- C52 H68 N20 O8 -","4","1","CI2171","Fang-Zhong Hu; Gui-Feng Zhang; You-Quan Zhu; Hua-Zheng Yang","Ethyl 1-[6-(dimethylamino)pyridazin-3-yl]-5-methyl-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section E","2006","62","10","o4638","o4639","10.1107/S1600536806038086","","","0.71073","MoKα","","0.1071","0.0467","","","0.1083","0.1341","","","","","","0.992","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210552","9.5769","0.0003","9.6804","0.0002","13.0811","0.0003","109.796","0.001","98.157","0.001","91.369","0.001","1126.14","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis(2-hydroxyphenyl)naphthalene-1,4-dicarboxamide dimethyl sulfoxide solvate","","- C26 H24 N2 O5 S -","- C26 H24 N2 O5 S -","- C52 H48 N4 O10 S2 -","2","1","CI2173","Lin-Hai Jing; Huan-Xia Zhang; Shao-Jin Gu","<i>N</i>,<i>N</i>'-Bis(2-hydroxyphenyl)naphthalene-1,4-dicarboxamide dimethyl sulfoxide solvate","Acta Crystallographica Section E","2006","62","10","o4583","o4584","10.1107/S160053680603786X","","","0.71073","MoKα","","0.0378","0.0333","","","0.0915","0.0962","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210553","6.308","0.003","8.251","0.003","10.766","0.004","87.358","0.004","86.463","0.004","77.518","0.004","545.7","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","N-(4-Chlorophenyl)picolinamide","","- C12 H9 Cl N2 O -","- C12 H9 Cl N2 O -","- C24 H18 Cl2 N4 O2 -","2","1","CI2174","Zhang, Qiang; Zhang, Shu-Ping; Shao, Si-Chang","<i>N</i>-(4-Chlorophenyl)picolinamide","Acta Crystallographica Section E","2006","62","10","o4695","o4696","10.1107/S1600536806038670","","","0.71073","MoKα","","0.0716","0.0426","","","0.1041","0.1255","","","","","","1.083","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210554","6.6322","0.0003","8.5401","0.0004","21.5578","0.001","90","","92.798","0.001","90","","1219.57","0.1","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Quinolyl benzoate","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","CI2175","Gang Lei","8-Quinolyl benzoate","Acta Crystallographica Section E","2006","62","10","o4666","o4667","10.1107/S1600536806038499","","","0.71073","MoKα","","0.0483","0.0412","","","0.1174","0.1245","","","","","","1.011","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210555","9.427","0.0007","10.2516","0.0008","10.3014","0.0008","74.45","0.001","85.673","0.001","75.665","0.001","929.2","0.12","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)iminomethyl]benzoic acid methanol solvate","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C40 H42 N6 O8 -","2","1","CI2176","Sun, Yu-Xi; Xie, Xue-Hui; Zhang, Ran; Zhang, Li-Feng; Xu, Lai-Xiang","4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)iminomethyl]benzoic acid methanol solvate","Acta Crystallographica Section E","2006","62","10","o4758","o4760","10.1107/S1600536806039262","","","0.71073","MoKα","","0.0797","0.0591","","","0.1622","0.1764","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210556","8.3939","0.0007","14.9227","0.0013","10.0939","0.0009","90","","92.166","0.002","90","","1263.46","0.19","273","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Matrinium picrolonate 0.28-hydrate","(7aS,13aR,13bR,13cS)-10-oxo-dodecahydro-1H,5H,8H-dipyrido[2,1-f:3',2',1'- ij][1,6]naphthyridinium 3-methyl-4-nitro-1-(4-nitrophenyl)-5-oxo-2-pyrazolinate 0.28-hydrate","","- C25 H32.56 N6 O6.28 -","- C25 H32.56 N6 O6.28 -","- C50 H65.12 N12 O12.56 -","2","1","CS2014","Bing Tu; Zhan Su; Hui Min Zhang; Xing Jü Ma; Zhi-Min Jin","Matrinium picrolonate 0.28-hydrate","Acta Crystallographica Section E","2006","62","10","o4270","o4271","10.1107/S1600536806033277","","","0.71073","MoKα","","0.0544","0.0505","","","0.1199","0.1222","","","","","","1.134","","","","has coordinates,has disorder","176787","2020-10-21","18:00:00",""
"2210557","12.3034","0.0012","16.6438","0.0016","12.2606","0.0012","90","","110.041","0.001","90","","2358.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2a-(4-Chlorophenyl)-2-(2,5-dioxo-3-pyrazolin-1-yl)-4-phenyl- 2,2a,3,4-tetrahydro-1H-azeto[2,1-d][1,5]benzothiazepin-1-one","","- C27 H19 Cl N2 O3 S -","- C27 H19 Cl N2 O3 S -","- C108 H76 Cl4 N8 O12 S4 -","4","1","CS2021","Ping Zhang; Cai-Yun Du; Yuan Li","2a-(4-Chlorophenyl)-2-(2,5-dioxo-3-pyrazolin-1-yl)-4-phenyl-2,2a,3,4-tetrahydro-1<i>H</i>-azeto[2,1-<i>d</i>][1,5]benzothiazepin-1-one","Acta Crystallographica Section E","2006","62","10","o4249","o4250","10.1107/S1600536806034295","","","0.71073","MoKα","","0.0626","0.0405","","","0.0975","0.1083","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210558","5.8611","0.0011","18.529","0.003","19.756","0.004","90","","90","","90","","2145.5","0.7","298","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phenyl 3,4-O-isopropylidene-6-O-pivalyl-β-D-galactopyranoside","","- C20 H28 O7 -","- C20 H28 O7 -","- C80 H112 O28 -","4","1","CV2108","Jiong Jia; Yan Zhang; Xi-Zhao Wang; Teng-Fei Shao; Jian-wu Wang","Phenyl 3,4-<i>O</i>-isopropylidene-6-<i>O</i>-pivalyl-β-<small>D</small>-galactopyranoside","Acta Crystallographica Section E","2006","62","10","o4304","o4305","10.1107/S1600536806035264","","","0.71073","MoKα","","0.0858","0.0578","","","0.153","0.1708","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210559","25.62","0.016","4.179","0.003","20.043","0.013","90","","90","","90","","2146","2","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,3,5-Tris(2-acetylthienyl)benzene","","- C24 H18 O3 S3 -","- C24 H18 O3 S3 -","- C96 H72 O12 S12 -","4","1","CV2109","Zhu, Chen-Hao; Pu, Ji-Qin; Huang, Jian-Yan; Wu, Jie-Ying","1,3,5-Tris(2-acetylthienyl)benzene","Acta Crystallographica Section E","2006","62","10","o4312","o4314","10.1107/S1600536806034817","","","0.71073","MoKα","","0.0946","0.0537","","","0.1339","0.1708","","","","","","0.972","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210560","8.4589","0.0012","36.168","0.005","17.943","0.002","90","","92.642","0.002","90","","5483.7","1.2","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,8-Bis(dimethylethyleneguanidino)naphthalene","","- C20 H26 N6 -","- C20 H26 N6 -","- C240 H312 N72 -","12","3","CV2111","Kawahata, Masatoshi; Ishikawa, Tsutomu; Yamaguchi, Kentaro","1,8-Bis(dimethylethyleneguanidino)naphthalene","Acta Crystallographica Section E","2006","62","10","o4549","o4550","10.1107/S1600536806037032","","","0.71073","MoKα","","0.1253","0.06","","","0.1395","0.1686","","","","","","1.104","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210561","9.814","0.0016","32.64","0.005","10.7522","0.0018","90","","91.276","0.004","90","","3443.4","1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3-Chlorophenyl)-2-(4-isobutylphenyl)propanamide","","- C19 H22 Cl N O -","- C19 H22 Cl N O -","- C152 H176 Cl8 N8 O8 -","8","2","CV2112","Saeed, Aamer; Flörke, Ulrich","<i>N</i>-(3-Chlorophenyl)-2-(4-isobutylphenyl)propanamide","Acta Crystallographica Section E","2006","62","10","o4322","o4324","10.1107/S1600536806034921","","","0.71073","MoKα","","0.1384","0.091","","","0.2369","0.2564","","","","","","1.091","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210562","6.8693","0.0003","7.0382","0.0003","15.7909","0.0007","90","","90","","90","","763.45","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-C-Methyl-3,4-O-methylidene-D-arabinono-1,5-lactone","","- C7 H10 O5 -","- C7 H10 O5 -","- C28 H40 O20 -","4","1","CV2114","Bream, Richard; Watkin, David J.; Jones, Nigel A.; Jenkinson, Sarah F.; Fleet, George W. J.","2-<i>C</i>-Methyl-3,4-<i>O</i>-methylidene-<small>D</small>-arabinono-1,5-lactone","Acta Crystallographica Section E","2006","62","10","o4356","o4358","10.1107/S1600536806035331","","","0.71073","MoKα","","0.0574","0.0375","","0.0795","0.074","0.0795","","","","","","1.005","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210563","10.112","0.002","9.2772","0.0019","21.998","0.005","90","","92.773","0.003","90","","2061.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Benzotriazol-1-yl)-1-(4-chlorophenyl)-1-oxopropan-2-yl 2-chlorobenzoate","","- C22 H15 Cl2 N3 O3 -","- C22 H15 Cl2 N3 O3 -","- C88 H60 Cl8 N12 O12 -","4","1","CV2116","Shu-Sheng Zhang; Jun Wan; Zheng-Zhong Peng; Sai Bi","3-(Benzotriazol-1-yl)-1-(4-chlorophenyl)-1-oxopropan-2-yl 2-chlorobenzoate","Acta Crystallographica Section E","2006","62","10","o4348","o4349","10.1107/S1600536806035732","","","0.71073","MoKα","","0.0783","0.0479","","","0.1051","0.1179","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210564","7.2009","0.0014","10.498","0.002","8.9607","0.0018","90","","90.51","0.03","90","","677.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(2,2,2-trifluoroacetyl)hexane-1,6-diamine","","- C10 H14 F6 N2 O2 -","- C10 H14 F6 N2 O2 -","- C20 H28 F12 N4 O4 -","2","0.5","CV2117","Yan-Bo Weng; Jing-Kang Wang; Yan-Fei Wang","<i>N</i>,<i>N</i>'-Bis(2,2,2-trifluoroacetyl)hexane-1,6-diamine","Acta Crystallographica Section E","2006","62","10","o4616","o4617","10.1107/S160053680603813X","","","0.71073","MoKα","","0.0679","0.0599","","","0.1507","0.1569","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210565","9.534","0.003","9.97","0.002","13.783","0.003","90","","90","","90","","1310.1","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-bromosalicylaldehyde benzoylhydrazone","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C56 H44 Br4 N8 O8 -","4","1","CV2118","Hui-Yan Liu; Hai-Ying Wang; Feng Gao; Zai-Sheng Lu; De-Zhong Niu","5-Bromosalicylaldehyde benzoylhydrazone","Acta Crystallographica Section E","2006","62","10","o4495","o4496","10.1107/S160053680603683X","","","0.71073","MoKα","","0.0455","0.0306","","","0.0616","0.0668","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210566","11.489","0.003","15.221","0.004","15.099","0.004","90","","111.104","0.004","90","","2463.3","1.1","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Butyl-3-(2,6-diphenylpyridin-4-yl)-9H-carbazole","","- C33 H28 N2 -","- C33 H28 N2 -","- C132 H112 N8 -","4","1","CV2120","Lu, Wie-Jie; Wang, Liang; Xu, Xian-Yun; Yang, Jia-Xiang","9-Butyl-3-(2,6-diphenylpyridin-4-yl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","10","o4497","o4498","10.1107/S1600536806036841","","","0.71073","MoKα","","0.1451","0.0599","","","0.1489","0.2083","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210567","8.0912","0.0002","9.1704","0.0002","12.3718","0.0002","78.685","0.001","87.567","0.001","74.694","0.001","868.17","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Ethyl 9-phenylsulfonylcarbazole-3-carboxylate","","- C21 H17 N O4 S -","- C21 H17 N O4 S -","- C42 H34 N2 O8 S2 -","2","1","CV2121","G. Senthil Kumar; K. Chinnakali; R. Balamurugan; A. K. Mohanakrishnan; Hoong-Kun Fun","Ethyl 9-phenylsulfonylcarbazole-3-carboxylate","Acta Crystallographica Section E","2006","62","10","o4510","o4512","10.1107/S1600536806037263","","","0.71073","MoKα","","0.0383","0.0342","","","0.0902","0.0932","","","","","","1.025","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210568","11.7905","0.0001","13.6465","0.0002","17.3792","0.0002","90","","126.369","0.001","90","","2251.62","0.05","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(4-Methylphenyl)-3-(2-thienyl)prop-2-en-1-one","1-(4-Methylphenyl)-3-(2-thienyl)prop-2-en-1-one","","- C14 H12 O S -","- C14 H12 O S -","- C112 H96 O8 S8 -","8","2","CV2123","Mohd Mustaqim Rosli; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","1-(4-Methylphenyl)-3-(2-thienyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","10","o4648","o4649","10.1107/S1600536806037597","","","0.71073","MoKα","","0.0714","0.0541","","","0.144","0.1555","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210569","8.464","0.003","10.484","0.004","10.713","0.004","94.449","0.004","111.377","0.004","100.396","0.004","860","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","3-Phenyl-1,5-di-2-pyridylpentane-1,5-dione","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C42 H36 N4 O4 -","2","1","CV2125","Guo-Fang He; Xian-Qiang Huang; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang","3-Phenyl-1,5-di-2-pyridylpentane-1,5-dione","Acta Crystallographica Section E","2006","62","10","o4689","o4690","10.1107/S160053680603861X","","","0.71073","MoKα","","0.0705","0.0488","","","0.1193","0.1409","","","","","","1.005","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210570","39.344","0.003","7.5684","0.0008","6.0571","0.0008","90","","90","","90","","1803.6","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","5-(4-bromophenlyl)-1,3-oxazol-2-amine","","- C9 H7 Br N2 O -","- C9 H7 Br N2 O -","- C72 H56 Br8 N16 O8 -","8","1","CV2126","Victor B. Rybakov; Vadim L. Alifanov; Eugene V. Babaev","5-(4-Bromophenyl)-1,3-oxazol-2-amine","Acta Crystallographica Section E","2006","62","10","o4746","o4747","10.1107/S1600536806038918","","","1.5418","CuKα","","0.0494","0.049","","","0.0911","0.0913","","","","","","1.034","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210571","6.467","0.0005","19.116","0.002","7.7037","0.0016","90","","92.344","0.011","90","","951.6","0.2","294","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetraaquabis(1-carboxylatomethylpyridinium-4-carboxylato)nickel(II)","","- C16 H20 N2 Ni O12 -","- C16 H20 N2 Ni O12 -","- C32 H40 N4 Ni2 O24 -","2","1","DN2051","Hong-Song Li; Song Li; Song-Lin Li","Tetraaquabis(1-carboxylatomethylpyridinium-4-carboxylato)nickel(II)","Acta Crystallographica Section E","2006","62","10","m2487","m2488","10.1107/S1600536806023993","","","0.71073","MoKα","","0.0367","0.0319","","","0.0752","0.0776","","","","","","1.072","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210572","6.863","0.0014","18.91","0.004","12.893","0.003","90","","101.77","0.03","90","","1638.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methoxybenzamide oxime","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C64 H80 N16 O16 -","8","2","DN2053","Wang, Hai-Bo; Yan, Xiao-Chen; Liu, Zhi-Qian","3-Methoxybenzamide oxime","Acta Crystallographica Section E","2006","62","10","o4243","o4244","10.1107/S1600536806024007","","","0.71073","MoKα","","0.0987","0.0551","","","0.128","0.15","","","","","","1.025","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210573","27.789","0.002","4.0141","0.0005","21.457","0.0015","90","","127.56","0.03","90","","1897.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol","","- C9 H7 Cl N2 O2 -","- C9 H7 Cl N2 O2 -","- C72 H56 Cl8 N16 O16 -","8","1","DN2054","Yan, Xiao-Chen; Wang, Hai-Bo; Liu, Zhi-Qian","[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol","Acta Crystallographica Section E","2006","62","10","o4226","o4227","10.1107/S1600536806024433","","","0.71073","MoKα","","0.1531","0.0659","","","0.1163","0.1486","","","","","","0.987","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210574","14.46","0.02","8.076","0.015","16.03","0.03","90","","109.05","0.02","90","","1769","5","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(2-hydroxy-3,5-dimethylphenyl)ethanone","","- C10 H12 O2 -","- C10 H12 O2 -","- C80 H96 O16 -","8","2","DN2058","Jian-Guo Chang; Guo-Fang He; Ji-Kun Li; Yan-Fei Li","1-(2-Hydroxy-3,5-dimethylphenyl)ethanone","Acta Crystallographica Section E","2006","62","10","o4329","o4330","10.1107/S1600536806035021","","","0.71073","MoKα","","0.0991","0.0651","","","0.1738","0.2096","","","","","","1.002","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210575","9.4012","0.0005","12.8491","0.0007","23.7478","0.0017","90","","90","","90","","2868.7","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[(R,R)-2-Amino-1-(p-tolylsulfonylamido)cyclohexane-κ^2^N,N']chloro(η^5^- pentamethylcyclopentadienyl)iridium(III) chloroform solvate","","- C24 H35 Cl4 Ir N2 O2 S -","- C24 H35 Cl4 Ir N2 O2 S -","- C96 H140 Cl16 Ir4 N8 O8 S4 -","4","1","DN2059","Canivet, Jérôme; Therrien, Bruno; Süss-Fink, Georg","[(<i>R</i>,<i>R</i>)-2-Amino-1-(<i>p</i>-tolylsulfonylamido)cyclohexane-κ^2^<i>N</i>,<i>N</i>']chloro(η^5^-pentamethylcyclopentadienyl)iridium(III) chloroform solvate","Acta Crystallographica Section E","2006","62","10","m2435","m2436","10.1107/S1600536806034842","","","0.71073","MoKα","","0.0357","0.0282","","","0.0574","0.0588","","","","","","0.936","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210576","8.0888","0.0004","7.1356","0.0004","44.235","0.003","90","","90","","90","","2553.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[2-(2-Thienyl)ethoxy]phthalonitrile","","- C14 H10 N2 O S -","- C14 H10 N2 O S -","- C112 H80 N16 O8 S8 -","8","1","DN2060","Yavuz Köysal; Şamil Işık; Nazan Ocak Iskeleli; Mahmut Durmuş; Vefa Ahsen","3-[2-(2-Thienyl)ethoxy]phthalonitrile","Acta Crystallographica Section E","2006","62","10","o4261","o4262","10.1107/S1600536806034830","","","0.71073","MoKα","","0.1076","0.0708","","","0.2143","0.2442","","","","","","0.952","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210577","10.3925","0.0017","6.0362","0.001","11.2115","0.0019","90","","103.413","0.002","90","","684.1","0.2","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,8S)-3,8-Diisopropyl-1,6-dioxa-4,9-diaza-5λ^5^- phosphaspiro[4.4]nonane-2,7-dione","","- C10 H19 N2 O4 P -","- C10 H19 N2 O4 P -","- C20 H38 N4 O8 P2 -","2","1","DN2061","Cao, Shu-Xia; Liu, Jin-Ming; Xie Ya-Li; Liao, Xin-Cheng; Zhao, Yu-Fen","(3<i>S</i>,8<i>S</i>)-3,8-Diisopropyl-1,6-dioxa-4,9-diaza-5λ^5^-phosphaspiro[4.4]nonane-2,7-dione","Acta Crystallographica Section E","2006","62","10","o4642","o4643","10.1107/S1600536806037792","","","0.71073","MoKα","","0.0651","0.0526","","","0.1251","0.1361","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210578","11.726","0.002","11.135","0.002","12.485","0.003","90","","116.37","0.03","90","","1460.5","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[diaquabis(4-carboxyphenoxyacetato-κO)cobalt(II)]-μ-4,4'- bipyridine-κ^2^N,N'] dihydrate]","","- C28 H30 Co N2 O14 -","- C28 H30 Co N2 O14 -","- C56 H60 Co2 N4 O28 -","2","0.5","DN2062","Gao, Jin-Sheng; Hou, Guang-Feng; Yu, Ying-Hui; Hou, Yan-Jun; Li, Guang-Ming","<i>catena</i>-Poly[[[diaquabis(4-carboxyphenoxyacetato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>'] dihydrate]","Acta Crystallographica Section E","2006","62","10","m2685","m2687","10.1107/S1600536806037767","","","0.71073","MoKα","","0.0707","0.0516","","","0.1249","0.135","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210579","15.2885","0.0013","11.9367","0.001","19.2389","0.0016","90","","90","","90","","3511","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tris(ethylenediamine)nickel(II) hexaselenodistannate","","- C12 H48 N12 Ni2 Se6 Sn2 -","- C12 H48 N12 Ni2 Se6 Sn2 -","- C48 H192 N48 Ni8 Se24 Sn8 -","4","0.5","EZ2014","Hai-Bao Duan; Zhan Hu; Bing Jia; Yong-Lin An","Solvothermal synthesis and characterization of tris(ethylenediamine)nickel(II) hexaselenodistannate(IV)","Acta Crystallographica Section E","2006","62","10","m2709","m2710","10.1107/S1600536806038050","","","0.71073","MoKα","","0.043","0.03","","","0.065","0.068","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210580","8.604","0.003","11.207","0.003","13.444","0.004","111.958","0.003","100.522","0.004","94.042","0.004","1168.3","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","poly[bis(2,2'-bipyridine)tris(μ-1,4-phenylenediacetato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',O''')trimanganese(II)]","","- C50 H40 Mn3 N4 O12 -","- C50 H40 Mn3 N4 O12 -","- C50 H40 Mn3 N4 O12 -","1","0.5","EZ2028","Chen, Zi-Lu; Zhang, Yu-Zhen; Liang, Fu-Pei; Wu, Qiang","A two-dimensional coordination network assembled from manganese(II) and 1,4-phenylenediacetate","Acta Crystallographica Section E","2006","62","10","m2409","m2411","10.1107/S1600536806034556","","","0.71073","MoKα","","0.069","0.045","","","0.115","0.136","","","","","","0.999","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210581","12.7287","0.0011","9.2935","0.0006","14.63","0.0015","90","","111.697","0.007","90","","1608","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1-(2,4-Dichlorobenzoyl)-3-(3,4-dichlorophenyl)thiourea","1-(2,4-Dichlorobenzoyl)-3-(3,4-dichlorophenyl)thiourea","","- C14 H8 Cl4 N2 O S -","- C14 H8 Cl4 N2 O S -","- C56 H32 Cl16 N8 O4 S4 -","4","1","EZ2029","Khawar Rauf, M.; Badshah, Amin; Bolte, Michael","1-(2,4-Dichlorobenzoyl)-3-(3,4-dichlorophenyl)thiourea","Acta Crystallographica Section E","2006","62","10","o4296","o4298","10.1107/S160053680603474X","","","0.71073","MoKα","","0.032","0.028","","","0.069","0.071","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210582","15.233","0.003","11.58","0.002","19.047","0.004","90","","103.617","0.002","90","","3265.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua[4-(1H-benzimidazol-2-yl)benzoato]triphenyltin(IV) dioxane solvate","","- C36 H34 N2 O5 Sn -","- C36 H34 N2 O5 Sn -","- C144 H136 N8 O20 Sn4 -","4","1","EZ2030","Fang, Xiao-Niu; Xiao, Yi-An; Sui, Yan; Chen, Hong-Mei; Zuo, Chuan-Peng","Aqua[4-(1<i>H</i>-benzimidazol-2-yl)benzoato]triphenyltin(IV) dioxane solvate","Acta Crystallographica Section E","2006","62","10","m2519","m2521","10.1107/S1600536806035409","","","0.71073","MoKα","","0.085","0.055","","","0.157","0.177","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210583","18.031","0.012","7.332","0.005","12.714","0.009","90","","99.338","0.011","90","","1659","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,E)-4-(Dimethylamino)benzaldehyde O-[3-(3-nitrophenyl)propenoyl]oxime","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","EZ2031","Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Xia, Hai-Tao","(<i>E</i>,<i>E</i>)-4-(Dimethylamino)benzaldehyde <i>O</i>-[3-(3-nitrophenyl)propenoyl]oxime","Acta Crystallographica Section E","2006","62","10","o4587","o4589","10.1107/S1600536806037366","","","0.71073","MoKα","","0.178","0.061","","","0.152","0.237","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210584","8.9971","0.0017","10.3052","0.0019","13.954","0.003","90","","95.374","0.003","90","","1288.1","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenylmethyl 3-azido-1,1-dioxocephalosporanate benzene solvate","","- C27 H26 N4 O5 S -","- C27 H26 N4 O5 S -","- C54 H52 N8 O10 S2 -","2","1","EZ2032","Xiu-Ling Liu","Diphenylmethyl 3-azido-1,1-dioxocephalosporanate benzene solvate","Acta Crystallographica Section E","2006","62","10","o4431","o4432","10.1107/S1600536806036439","","","0.7107","MoKα","","0.042","0.032","","","0.069","0.083","","","","","","0.96","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210585","16.3249","0.0006","15.2868","0.0005","17.3137","0.0006","90","","99.033","0.003","90","","4267.1","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(tri-tert-butoxysilanethiolato-κS)bis(pyrrolidine-κN)cobalt(II)","","- C32 H72 Co N2 O6 S2 Si2 -","- C32 H72 Co N2 O6 S2 Si2 -","- C128 H288 Co4 N8 O24 S8 Si8 -","4","1","EZ2033","Pladzyk, Agnieszka; Baranowska, Katarzyna","Bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)bis(pyrrolidine-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2006","62","10","m2602","m2604","10.1107/S1600536806036750","","","0.71073","MoKα","","0.042","0.039","","","0.095","0.097","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210586","9.8733","0.0001","6.9155","0.0001","15.7532","0.0002","90","","97.283","0.001","90","","1066.93","0.02","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl pyrrolo[2,1-a]isoquinoline-1-carboxylate","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","EZ2034","Wei Wang","Methyl pyrrolo[2,1-<i>a</i>]isoquinoline-1-carboxylate","Acta Crystallographica Section E","2006","62","10","o4556","o4557","10.1107/S1600536806037494","","","0.71073","MoKα","","0.057","0.047","","","0.122","0.129","","","","","","0.999","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210587","9.0389","0.0012","10.699","0.0014","11.0049","0.0016","93.452","0.006","90.871","0.005","109.153","0.006","1002.8","0.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","3-(2-Acetoxyethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C20 H22 N2 O8 -","- C20 H22 N2 O8 -","- C40 H44 N4 O16 -","2","1","EZ2035","Sun, Feng-Xia; Zhao, Ying; Zhang, Cui; Zhang, Yan-Hui","3-(2-Acetoxyethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","10","o4763","o4764","10.1107/S1600536806039328","","","0.7107","MoKα","","0.052","0.038","","","0.102","0.109","","","","","","1.06","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210588","12.505","0.002","25.713","0.004","8.1019","0.0014","90","","106.453","0.003","90","","2498.4","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-{2-[(1,5-Dimethyl-3-oxo-1-phenyl-2,3-dihydro-1H-pyrazol-4- ylimino)methyl]phenoxy}ethyl p-toluenesulfonate","","- C27 H27 N3 O5 S -","- C27 H27 N3 O5 S -","- C108 H108 N12 O20 S4 -","4","1","EZ2036","Chen, Xin; Yu, Ming","(<i>E</i>)-2-{2-[(1,5-Dimethyl-3-oxo-1-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-ylimino)methyl]phenoxy}ethyl <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2006","62","10","o4728","o4729","10.1107/S1600536806038839","","","0.71073","MoKα","","0.105","0.045","","","0.107","0.134","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210589","8.225","0.002","10.664","0.003","12.493","0.003","101.125","0.004","109.046","0.004","110.346","0.004","911.3","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","p-Phenylene bis(benzenesulfonate)","","- C18 H14 O6 S2 -","- C18 H14 O6 S2 -","- C36 H28 O12 S4 -","2","1","FB2021","Li Wu; Fu-Xia Liang; Xiao-Ai Sun; Wen-Qin Zhang","<i>p</i>-Phenylene bis(benzenesulfonate)","Acta Crystallographica Section E","2006","62","10","o4288","o4290","10.1107/S1600536806035173","","","0.71073","MoKα","","0.0631","0.0426","","","0.1059","0.1213","","","","","","1.043","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210590","7.5768","0.0003","12.9594","0.0003","18.9013","0.0004","90","","97.96","0.004","90","","1838.05","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-Ethyl-4,4'-bipyridinium-κN^4'^)triiodocadmium(II)","","- C12 H13 Cd I3 N2 -","- C12 H13 Cd I3 N2 -","- C48 H52 Cd4 I12 N8 -","4","1","FG3039","Guo, Hong-Xu; Chen, Jian-Xin; Yang, Liu-Ming; Lin, Zhi-Xing","(4-Ethyl-4,4'-bipyridinium-κ<i>N</i>^4'^)triiodocadmium(II)","Acta Crystallographica Section E","2006","62","10","m2459","m2460","10.1107/S1600536806035318","","","0.71073","MoKα","","0.1039","0.0688","","","0.1119","0.1237","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210591","7.4106","0.0006","8.2178","0.0007","10.1424","0.0009","94.694","0.01","105.165","0.01","108.024","0.009","557.91","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Poly[[tetraaquabis(μ~5~-1-carboxybenzene-3,5-dicarboxylato)dilead(II)] monohydrate]","","- C9 H4 O8.5 Pb -","- C9 H4 O8.5 Pb -","- C18 H8 O17 Pb2 -","2","1","FI2007","Hong-Jun Deng; Xin-Hua Li","Poly[[tetraaquabis(μ~5~-1-carboxybenzene-3,5-dicarboxylato)dilead(II)] monohydrate]","Acta Crystallographica Section E","2006","62","10","m2467","m2469","10.1107/S1600536806034829","","","0.71073","MoKα","","0.0356","0.0342","","","0.0829","0.0834","","","","","","1.29","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2210592","9.2223","0.0005","9.8307","0.0005","11.7818","0.0006","87.1615","0.0008","74.7298","0.0008","63.9588","0.0007","923.14","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[bis(4-formylpyridinium) hydronium hexacosaoxosodiooctamolybdate pentahydrate]","","- C12 H27 Mo8 N4 Na O34 -","- C12 H27 Mo8 N4 Na O34 -","- C12 H27 Mo8 N4 Na O34 -","1","0.5","FI2009","Bo Liu; Chuan-Bi Li; Zhou Shi; Yan-Wei Li","Poly[bis(4-formamidopyridinium) hydronium hexacosaoxosodiooctamolybdate pentahydrate]","Acta Crystallographica Section E","2006","62","10","m2656","m2658","10.1107/S160053680603738X","","","0.71073","MoKα","","0.0572","0.0466","","","0.1118","0.118","","","","","","1.064","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210593","10.023","0.0004","11.2803","0.0005","28.6327","0.0014","90","","90","","90","","3237.3","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","mer,cis-trichlorotris(dimethyl sulfoxide)rhodium(III)","","- C6 H18 Cl3 O3 Rh S3 -","- C6 H18 Cl3 O3 Rh S3 -","- C48 H144 Cl24 O24 Rh8 S24 -","8","1","FI2012","Abbasi, Alireza; Azizi, Fereshteh; Eriksson, Lars; Sandström, Magnus","A new polymorph of <i>mer</i>,<i>cis</i>-trichlorotris(dimethyl sulfoxide)rhodium(III)","Acta Crystallographica Section E","2006","62","10","m2651","m2652","10.1107/S1600536806037329","","","0.71073","MoKα","","0.0493","0.0344","","","0.0835","0.086","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210594","11.361","0.002","10.304","0.003","18.355","0.004","90","","103.242","0.003","90","","2091.6","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-Diethyl-2-(2'-hydroxy-1,1'-binaphthalen-2-yloxy)acetamide","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C104 H100 N4 O12 -","4","1","FL2039","Ya-Wen Wang; Yong-Tao Shi; Wei-Sheng Liu; Da-Qi Wang","<i>N</i>,<i>N</i>-Diethyl-2-(2'-hydroxy-1,1'-binaphthalen-2-yloxy)acetamide","Acta Crystallographica Section E","2006","62","10","o4247","o4248","10.1107/S1600536806029990","","","0.71073","MoKα","","0.1328","0.0551","","","0.1242","0.1637","","","","","","1.007","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210595","15.7329","0.0006","7.8709","0.0003","18.353","0.0007","90","","105.155","0.002","90","","2193.65","0.15","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(1R*,4aR*,8aS*)-2-Oxoperhydronaphthalene-1-acetic acid","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","FL2040","Thompson, Hugh W.; Kikolski, Elizabeth M.; Lalancette, Roger A.","(1<i>R</i>*,4a<i>R</i>*,8a<i>S</i>*)-2-Oxoperhydronaphthalene-1-acetic acid: formation of heterogeneous carboxyl dimers in a bicyclic γ-keto acid","Acta Crystallographica Section E","2006","62","10","o4342","o4344","10.1107/S1600536806033083","","","1.54178","CuKα","","0.06","0.052","","","0.132","0.139","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210596","7.2099","0.0003","9.6277","0.0004","21.5374","0.0008","90","","98.091","0.001","90","","1480.13","0.1","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-5-nitrobenzyl alcohol","","- C7 H7 N O4 -","- C7 H7 N O4 -","- C56 H56 N8 O32 -","8","2","FL2043","Lei, Gang; Zhang, Huan-Xia; Gu, Shao-Jin","2-Hydroxy-5-nitrobenzyl alcohol","Acta Crystallographica Section E","2006","62","10","o4224","o4225","10.1107/S1600536806034611","","","0.71073","MoKα","","0.0519","0.0501","","","0.1426","0.1442","","","","","","1.005","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210597","11.521","0.003","9.072","0.004","12.535","0.003","90","","108.24","0.02","90","","1244.3","0.7","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-[5-(Hydroxy-1-methylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol","","- C11 H22 O4 -","- C11 H22 O4 -","- C44 H88 O16 -","4","2","FL2050","Grant A. Boyle; Hendrik G. Kruger; Glenn E. M. Maguire; Melanie Rademeyer","(4<i>R</i>,5<i>R</i>)-Bis(hydroxydimethylmethyl)-2,2-dimethyl-1,3-dioxolane","Acta Crystallographica Section E","2006","62","10","o4339","o4341","10.1107/S1600536806035136","","","0.71073","MoKα","","0.0508","0.046","","","0.1274","0.1337","","","","","","1.086","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210598","8.457","0.003","12.178","0.004","10.998","0.004","90","","96.958","0.004","90","","1124.3","0.7","293","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Cyclopropylcarbonyl-3-(2-pyridyl)thiourea","","- C10 H11 N3 O S -","- C10 H11 N3 O S -","- C40 H44 N12 O4 S4 -","4","1","FL2051","Bin Liu; Li Tian","1-Cyclopropylcarbonyl-3-(2-pyridyl)thiourea","Acta Crystallographica Section E","2006","62","10","o4280","o4281","10.1107/S1600536806034866","","","0.71073","MoKα","","0.0613","0.0376","","","0.095","0.1083","","","","","","1.009","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210599","12.4504","0.0012","6.3281","0.0006","20.201","0.002","90","","101.926","0.002","90","","1557.2","0.3","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(2-Chloro-5-methylphenoxy)acetoxymethyl]-2,6,7-trioxa-1- phosphabicyclo[2.2.2]octane 1-oxide","","- C14 H16 Cl O7 P -","- C14 H16 Cl O7 P -","- C56 H64 Cl4 O28 P4 -","4","1","FL2052","Sheng, Xi-Jun; He, Hong-Wu","4-[(2-Chloro-5-methylphenoxy)acetoxymethyl]-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide","Acta Crystallographica Section E","2006","62","10","o4398","o4399","10.1107/S1600536806035823","","","0.71073","MoKα","","0.0646","0.0467","","","0.1104","0.119","","","","","","0.957","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210600","17.955","0.002","3.9563","0.0003","17.973","0.002","90","","99.646","0.009","90","","1258.7","0.2","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","(2E)-1-(3-Bromo-2-thienyl)-3-(4-chlorophenyl)prop-2-en-1-one","","- C13 H8 Br Cl O S -","- C13 H8 Br Cl O S -","- C52 H32 Br4 Cl4 O4 S4 -","4","2","FL2053","Yathirajan, H. S.; Ashalatha, B.; Narayana, B.; Bindya, S.; Bolte, Michael","(2<i>E</i>)-1-(3-Bromo-2-thienyl)-3-(4-chlorophenyl)prop-2-en-1-one, a twinned crystal structure","Acta Crystallographica Section E","2006","62","10","o4551","o4553","10.1107/S1600536806037305","","","0.71073","MoKα","","0.0617","0.06","","","0.1584","0.1601","","","","","","1.065","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210601","6.3661","0.0003","6.6684","0.0003","17.1873","0.0009","90","","90","","90","","729.63","0.06","190","","190","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-Deoxy-α-<i>D</i>-sorbopyranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","FL2054","Nigel A. Jones; Mette Fanefjord; Sarah F. Jenkinson; George W. J. Fleet; David J. Watkin","1-Deoxy-α-<small>D</small>-sorbopyranose","Acta Crystallographica Section E","2006","62","10","o4663","o4665","10.1107/S1600536806038347","","","0.71073","MoKα","","0.0305","0.0268","","0.063","0.0615","0.063","","","","","","1.0115","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210602","18.204","0.008","11.495","0.005","9.692","0.005","90","","102.483","0.008","90","","1980.2","1.6","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Phenyl-3-[3-(5-phenyl-1,2,4-triazin-3-ylsulfanyl)propylsulfanyl]- 1,2,4-triazine","","- C21 H18 N6 S2 -","- C21 H18 N6 S2 -","- C84 H72 N24 S8 -","4","0.5","FL2055","Li-Rong Wen; Jian-Xia Zhou; Peng Liu","5-Phenyl-3-[3-(5-phenyl-1,2,4-triazin-3-ylsulfanyl)propylsulfanyl]-1,2,4-triazine","Acta Crystallographica Section E","2006","62","10","o4704","o4705","10.1107/S1600536806038682","","","0.71073","MoKα","","0.0877","0.0437","","","0.1042","0.126","","","","","","0.948","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210603","7.6497","0.0008","9.6076","0.0017","33.445","0.005","90","","90","","90","","2458","0.6","296","2","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Solasodine monohydrate","[(22R,25R)-spirosol-5-en-3β-ol] monohydrate","","- C27 H45 N O3 -","- C27 H45 N O3 -","- C108 H180 N4 O12 -","4","1","FL2056","Vega Baez, José Luis; Meza-Reyes, Socorro; Montiel Smith, Sara; Sandoval Ramírez, Jesús; Bernès, Sylvain","Solasodine monohydrate: an authentic structural characterization and a reinterpretation of a previous report","Acta Crystallographica Section E","2006","62","10","o4741","o4743","10.1107/S1600536806038554","","","0.71073","MoKα","","0.0499","0.0378","","","0.0888","0.0958","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210604","12.7934","0.0002","5.931","0.0001","18.4255","0.0003","90","","90","","90","","1398.08","0.04","100","0.1","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,4-Diazoniabicyclo[2.2.2]octanium 2,4-dinitrobenzoate","1,4-Diazoniabicyclo[2.2.2]octanium 2,4-dinitrobenzoate","","- C13 H16 N4 O6 -","- C13 H16 N4 O6 -","- C52 H64 N16 O24 -","4","1","FL2057","Mohd Mustaqim Rosli; Hoong-Kun Fun; Beck Sim Lee; Suchada Chantrapromma","4-Aza-1-azoniabicyclo[2.2.2]octane 2,4-dinitrobenzoate","Acta Crystallographica Section E","2006","62","10","o4575","o4577","10.1107/S1600536806037585","","","0.71073","MoKα","","0.0289","0.0277","","","0.0726","0.0735","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210605","9.976","0.0009","12.653","0.0012","16.559","0.0015","90","","97.426","0.002","90","","2072.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,6-Dimethyl-4,5-dihydro-3a,5a-diazapyrene ditriflate","","- C18 H16 F6 N2 O6 S2 -","- C18 H16 F6 N2 O6 S2 -","- C72 H64 F24 N8 O24 S8 -","4","1","GA2004","Coe, Benjamin J.; Fitzgerald, Emma C.; Raftery, James","3,6-Dimethyl-4,5-dihydro-3a,5a-diazapyrene ditriflate","Acta Crystallographica Section E","2006","62","10","o4333","o4334","10.1107/S1600536806034945","","","0.71073","MoKα","","0.1101","0.0417","","","0.0567","0.0644","","","","","","0.717","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210606","8.434","0.0009","9.8963","0.0011","21.124","0.002","88.989","0.002","86.672","0.002","89.909","0.002","1759.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-Acetonyl-4-(3,5-diethyl-4H-1,2,4-triazol-4-yl)-3-(2-thienylmethyl)-1H- 1,2,4-triazol-5(4H)-one","","- C16 H20 N6 O2 S -","- C16 H20 N6 O2 S -","- C64 H80 N24 O8 S4 -","4","2","GA2005","Ustabaş, Reşat; Çoruh, Ufuk; Sancak, Kemal; Düg̃dü, Esra; Vázquez-López, Ezequiel M.","1-Acetonyl-4-(3,5-diethyl-4<i>H</i>-1,2,4-triazol-4-yl)-3-(2-thienylmethyl)-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4265","o4267","10.1107/S1600536806034854","","","0.71073","MoKα","","0.1222","0.0523","","","0.0792","0.0924","","","","","","0.814","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210607","17.6086","0.0009","7.307","0.0004","8.0274","0.0004","90","","94.156","0.003","90","","1030.14","0.09","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[diaquamanganese(II)]-bis[μ-(2,4-dichlorophenoxy)acetato- κ^2^O:O']]","","- C16 H14 Cl4 Mn O8 -","- C16 H14 Cl4 Mn O8 -","- C32 H28 Cl8 Mn2 O16 -","2","0.5","GD2001","Wen-Dong Song; Dan-Li Xi","<i>catena</i>-Poly[[diaquamanganese(II)]-bis[μ-(2,4-dichlorophenoxy)acetato-κ^2^<i>O</i>:<i>O</i>']]","Acta Crystallographica Section E","2006","62","10","m2594","m2596","10.1107/S1600536806032478","","","0.71073","MoKα","","0.0355","0.0308","","","0.0866","0.0898","","","","","","1.091","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210608","7.189","0.003","10.588","0.004","10.593","0.004","110.675","0.005","91.429","0.006","102.538","0.006","731.8","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[piperazinium(2+) [tetraaquazinc(II)-μ-benzene-1,3,5-tricarboxylato- diaquacobalt(II)-μ-benzene-1,3,5-tricarboxylato] dihydrate]","","- C22 H34 Co N2 O20 Zn -","- C22 H34 Co N2 O20 Zn -","- C22 H34 Co N2 O20 Zn -","1","0.5","GD2003","Wei, Wen-Ying; Wang, Zhen; Han, Jin-Yu; Yin, Yan-Hua","<i>catena</i>-Poly[piperazinium(2+) [tetraaquazinc(II)-μ-benzene-1,3,5-tricarboxylato-diaquacobalt(II)-μ-benzene-1,3,5-tricarboxylato] dihydrate]","Acta Crystallographica Section E","2006","62","10","m2597","m2598","10.1107/S1600536806032466","","","0.71073","MoKα","","0.0509","0.041","","","0.1123","0.1192","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210609","9.9781","0.0002","10.061","0.0002","13.2582","0.0004","89.744","0.001","82.238","0.001","84.144","0.001","1311.85","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","trans-Dipyridinebis(sulfamerazinato)nickel(II)‒pyridine (1/4)","","- C52 H52 N14 Ni O4 S2 -","- C52 H52 N14 Ni O4 S2 -","- C52 H52 N14 Ni O4 S2 -","1","0.5","GD2006","G. M. Golzar Hossain; A. J. Amoroso","<i>trans</i>-Dipyridinebis(sulfamerazinato)nickel(II)‒pyridine (1/4)","Acta Crystallographica Section E","2006","62","10","m2721","m2722","10.1107/S1600536806038116","","","0.71073","MoKα","","0.0749","0.0532","","","0.1319","0.1429","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210610","5.6143","0.0002","8.0757","0.0004","12.8208","0.0005","73.995","0.001","86.114","0.001","87.038","0.001","557.14","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4-formylbenzoato-κO)bis(1H-imidazole-κN^3^)nickel(II)","","- C22 H22 N4 Ni O8 -","- C22 H22 N4 Ni O8 -","- C22 H22 N4 Ni O8 -","1","0.5","GD2008","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","Diaquabis(4-formylbenzoato-κ<i>O</i>)bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II)","Acta Crystallographica Section E","2006","62","10","m2422","m2423","10.1107/S1600536806034738","","","0.71073","MoKα","","0.035","0.031","","","0.089","0.093","","","","","","1.21","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210611","6.9266","0.001","15.358","0.002","7.043","0.0011","90","","111.795","0.003","90","","695.67","0.17","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Difluorobenzohydroxamic acid","","- C7 H5 F2 N O2 -","- C7 H5 F2 N O2 -","- C28 H20 F8 N4 O8 -","4","1","GD2010","Xian-Mei Shang; Ji-Zhou Wu; Qing-Shan Li","2,4-Difluorobenzohydroxamic acid","Acta Crystallographica Section E","2006","62","10","o4302","o4303","10.1107/S1600536806034957","","","0.71073","MoKα","","0.0633","0.0458","","","0.118","0.1264","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210612","7.801","0.0003","8.189","0.0003","11.9799","0.0006","75.9","0.001","77.415","0.002","84.738","0.001","723.81","0.05","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","1,1'-(Naphthalene-1,4-diyldicarbonyl)bis(1H-imidazole)","","- C18 H12 N4 O2 -","- C18 H12 N4 O2 -","- C36 H24 N8 O4 -","2","1","GD2012","Lin-Hai Jing; Shao-Jin Gu; Huan-Xia Zhang","1,1'-(Naphthalene-1,4-diyldicarbonyl)bis(1<i>H</i>-imidazole)","Acta Crystallographica Section E","2006","62","10","o4306","o4307","10.1107/S1600536806035094","","","0.71073","MoKα","","0.0412","0.0358","","","0.1157","0.1229","","","","","","0.994","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210613","19.178","0.003","9.8913","0.0006","19.1983","0.0019","90","","114.513","0.011","90","","3313.6","0.7","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","3-[α-(2-Hydroxyethylamino)benzylidene]-2-methoxy-2,3-dihydro- 1,2λ^5^-benzoxaphosphinine-2,4-dione","","- C18 H18 N O5 P -","- C18 H18 N O5 P -","- C144 H144 N8 O40 P8 -","8","1","GD2014","Małecka, Magdalena; Budzisz, Elżbieta","3-[α-(2-Hydroxyethylamino)benzylidene]-2-methoxy-2,3-dihydro-1,2λ^5^-benzoxaphosphinine-2,4-dione","Acta Crystallographica Section E","2006","62","10","o4560","o4562","10.1107/S1600536806037469","","","0.71073","MoKα","","0.0553","0.038","","","0.0966","0.1025","","","","","","0.945","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210614","16.365","0.002","12.584","0.002","10.775","0.002","90","","112.459","0.002","90","","2050.7","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-Dichloro(2-morpholinoethylamine-κ^2^N,N')platinum(II)","","- C6 H14 Cl2 N2 O Pt -","- C6 H14 Cl2 N2 O Pt -","- C48 H112 Cl16 N16 O8 Pt8 -","8","1","GD2015","Shi, Xiu-Fang; Xie, Ming-Jin; Ng, Seik Weng","<i>cis</i>-Dichloro(2-morpholinoethylamine-κ^2^<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section E","2006","62","10","m2719","m2720","10.1107/S1600536806037238","","","0.71073","MoKα","","0.053","0.029","","","0.059","0.067","","","","","","0.96","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210615","5.5595","0.0006","12.0772","0.0013","12.2795","0.0014","87.322","0.003","87.355","0.003","83.049","0.003","816.85","0.16","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","5-nitroisatin","","- C8 H4 N2 O4 -","- C8 H4 N2 O4 -","- C32 H16 N8 O16 -","4","2","GG2007","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A hydrogen-bonded chain of edge-fused rings in 5-nitroisatin","Acta Crystallographica Section E","2006","62","10","o4572","o4574","10.1107/S1600536806037627","","","0.71073","MoKα","","0.1785","0.0611","","","0.0969","0.109","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210616","7.3208","0.0005","11.5523","0.0007","16.7934","0.001","84.271","0.003","89.326","0.004","75.357","0.002","1367.13","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-[3-(quinolin-8-yloxy)propyl]-1,3,4-oxadiazole-2(3H)-thione","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","2","GK2025","Ren-Tao Wu; Jing-Rong Lu; Yi-Feng Sun","5-[3-(Quinolin-8-yloxy)propyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2006","62","10","o4293","o4295","10.1107/S160053680603501X","","","0.71073","MoKα","","0.0454","0.0408","","","0.1305","0.1379","","","","","","0.999","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210617","8.6132","0.0019","11.032","0.002","17.008","0.004","90","","98.393","0.003","90","","1598.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[μ-isophthalato-lead(II)]","","- C8 H4 O4 Pb -","- C8 H4 O4 Pb -","- C64 H32 O32 Pb8 -","8","2","HB2092","Zhang, Zheng; Zhou, Yi-Li; He, Hong-Yin","Poly[μ-isophthalato-lead(II)]","Acta Crystallographica Section E","2006","62","10","m2591","m2593","10.1107/S1600536806031941","","","0.71073","MoKα","","0.0464","0.0353","","","0.0679","0.0719","","","","","","1.041","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210618","12.2826","0.0014","9.2479","0.0011","26.01","0.003","90","","95.61","0.002","90","","2940.3","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N4-acetyl-sulfamerazine","4-acetamido-N-[4-methyl-2-pyrimidinyl]benzene-sulfonamide","","- C13 H14 N4 O3 S -","- C13 H14 N4 O3 S -","- C104 H112 N32 O24 S8 -","8","1","HB2115","Yuchuan Gong; Lu, Enxian; Zhang, Yuegang; Young Jr., Victor G.; Grant, David J.W.","<i>N</i>^4^-Acetylsulfamerazine","Acta Crystallographica Section E","2006","62","10","o4245","o4246","10.1107/S1600536806031710","","","0.71073","MoKα","","0.0548","0.0384","","","0.0928","0.0995","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210619","9.561","0.002","22.927","0.005","8.4322","0.0019","90","","96.22","0.004","90","","1837.5","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-Bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-furyl)methyleneamino]- 1H-pyrazole-3-carbonitrile","","- C16 H6 Br Cl2 F3 N4 O -","- C16 H6 Br Cl2 F3 N4 O -","- C64 H24 Br4 Cl8 F12 N16 O4 -","4","1","HB2117","Li, Shu-Yan; Zhong, Ping; Hu, Mao-Lin; Li, Jin-Hai","4-Bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-furyl)methyleneamino]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2006","62","10","o4499","o4500","10.1107/S1600536806036877","","","0.71073","MoKα","","0.0628","0.0471","","","0.1249","0.1362","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210620","18.58","0.005","16.805","0.004","14.864","0.004","90","","100.632","0.005","90","","4561","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[N,N,N',N'-Tetrakis[3-(methoxycarbonyl)propyl]ethylenediammonium [tetra-μ-iodo-hexaiodotetramercurate]]","","- C18 H34 Hg4 I10 N2 O8 -","- C18 H34 Hg4 I10 N2 O8 -","- C72 H136 Hg16 I40 N8 O32 -","4","0.5","HB2122","Xue-Jie Tan; Li-Qiang Jin; Dian-Xiang Xing","Poly[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[3-(methoxycarbonyl)propyl]ethylenediammonium [tetra-μ-iodo-hexaiodotetramercurate(II)]]","Acta Crystallographica Section E","2006","62","10","m2502","m2504","10.1107/S1600536806035380","","","0.71073","MoKα","","0.0949","0.0544","","","0.1011","0.1151","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210621","21.848","0.008","11.057","0.005","14.806","0.006","90","","90.288","0.015","90","","3577","3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[[bis[bis(1H-benzimidazole-κN^3^)zinc(II)]-μ~4~- benzene-1,2,4,5-tetracarboxylato] monohydrate]","","- C38 H28 N8 O9 Zn2 -","- C38 H26 N8 O9 Zn2 -","- C152 H104 N32 O36 Zn8 -","4","0.5","HB2127","Zhe An; Rong-Shun Wang","<i>catena</i>-Poly[[bis[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)zinc(II)]-μ~4~-benzene-1,2,4,5-tetracarboxylato] monohydrate]","Acta Crystallographica Section E","2006","62","10","m2493","m2495","10.1107/S160053680603515X","","","0.71073","MoKα","","0.0293","0.0256","","","0.0691","0.0711","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210622","11.342","0.001","11.342","","8.92","0.001","90","","90","","90","","1147.48","0.16","293","2","295","2","","","","","","","","6","I -4","I -4","82","","poly[octaaquatetra-μ-oxalato-calciumdipotassiumzirconium(IV)]","","- C8 H16 Ca K2 O24 Zr -","- C8 H16 Ca K2 O24 Zr -","- C16 H32 Ca2 K4 O48 Zr2 -","2","0.25","HB2129","Yang, Jun-Ying; Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng","Calcium dipotassium tetraoxalatozirconate(IV) octahydrate","Acta Crystallographica Section E","2006","62","10","m2424","m2426","10.1107/S1600536806034714","","","0.71073","MoKα","","0.042","0.037","","","0.078","0.081","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210623","13.92","0.003","9.879","0.002","28.548","0.006","90","","90","","90","","3925.8","1.4","292","2","292","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","catena-poly[[(2-phenyl-1H-1,3,7,8,- tetraazacyclopenta[l]phenanthrene)manganese(II)]-μ-succinato]","","- C23 H14 Mn N4 O4 -","- C23 H14 Mn N4 O4 -","- C184 H112 Mn8 N32 O32 -","8","1","HB2131","Liang Wang; Guang-Bo Che; Chun-Bo Liu","<i>catena</i>-Poly[[(2-phenyl-1<i>H</i>-1,3,7,8,-tetraazacyclopenta[<i>l</i>]phenanthrene)manganese(II)]-μ-succinato]","Acta Crystallographica Section E","2006","62","10","m2406","m2408","10.1107/S1600536806034453","","","0.71073","MoKα","","0.1019","0.0446","","","0.0933","0.1082","","","","","","0.938","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210624","15.398","0.002","20.877","0.003","20.09","0.003","90","","91.561","0.004","90","","6455.8","1.6","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[[aquatris(μ-dimethyl phosphato-κ^2^O,O')bis(μ-dimethyl sulfoxide-κO)(dimethyl sulfoxide-κO)dimanganese(II)] nitrate monohydrate]","","- C12 H40 Mn2 N O20 P3 S3 -","- C12 H40 Mn2 N O20 P3 S3 -","- C96 H320 Mn16 N8 O160 P24 S24 -","8","2","HB2132","Rafizadeh, Masoud; Amani, Vahid; Aghayan, Hassan","Poly[[aquatris(μ-dimethyl phosphato-κ^2^<i>O</i>,<i>O</i>')bis(μ-dimethyl sulfoxide-κ<i>O</i>)(dimethyl sulfoxide-κ<i>O</i>)dimanganese(II)] nitrate monohydrate]","Acta Crystallographica Section E","2006","62","10","m2450","m2452","10.1107/S1600536806034398","","","0.71073","MoKα","","0.1005","0.0495","","","0.0831","0.0898","","","","","","0.991","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2210625","6.634","0.001","10.547","0.002","15.276","0.003","94.21","0.03","90.1","0.03","104.64","0.03","1031.1","0.4","291","0.3","291","0.3","","","","","","","","4","P -1","-P 1","2","","4-[(4-Ethoxyphenyl)aminoacetyl]-6,7-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C44 H50 N6 O8 -","2","1","HB2134","Kruszynski, Rafal; Trzesowska, Agata; Czestkowski, Wojciech; Bartczak, Tadeusz J.; Mikiciuk-Olasik, Elżbieta","4-[(4-Ethoxyphenyl)aminoacetyl]-6,7-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one","Acta Crystallographica Section E","2006","62","10","o4596","o4598","10.1107/S1600536806036889","","","0.71073","MoKα","","0.1788","0.0583","","","0.1016","0.1319","","","","","","0.87","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2210626","9.3949","0.0012","9.9245","0.0013","11.5388","0.0015","109.266","0.002","99.058","0.002","93.168","0.002","996.3","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","(N,N-Diethyldithiocarbamato-κ^2^S,S')iododiphenyltin(IV)","","- C17 H20 I N S2 Sn -","- C17 H20 I N S2 Sn -","- C34 H40 I2 N2 S4 Sn2 -","2","1","HB2135","Tian, Lai-Jin; Mao, Wu-Tao; Tan, Guo-Xia; Sun, Yu-Xi","(<i>N</i>,<i>N</i>-Diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')iododiphenyltin(IV)","Acta Crystallographica Section E","2006","62","10","m2448","m2449","10.1107/S1600536806035124","","","0.71073","MoKα","","0.0393","0.0314","","","0.0662","0.069","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210627","10.879","0.002","5.707","0.0011","22.336","0.005","90","","90","","90","","1386.8","0.5","292","3","292","3","","","","","","","","5","P c c a","-P 2a 2ac","54","","Poly[μ-4,4'-bipyridine-κ^2^N:N'-di-μ-isothiocyanato-copper(II)]","","- C12 H8 Cu N4 S2 -","- C12 H8 Cu N4 S2 -","- C48 H32 Cu4 N16 S8 -","4","0.5","HB2136","Luo, Wang-Xi; Yu, Ming-Ming; Zheng, Lei; Cui, Ai-Li; Kou, Hui-Zhong","Poly[μ-4,4'-bipyridine-di-μ-isothiocyanato-copper(II)]","Acta Crystallographica Section E","2006","62","10","m2532","m2534","10.1107/S1600536806036117","","","0.71073","MoKα","","0.0614","0.046","","","0.1018","0.1085","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210628","19.024","0.004","11.375","0.002","17.513","0.004","90","","98.77","0.03","90","","3745.5","1.4","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Benzene-1,2-dicarboxylato)bis[4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren- 2-yl)phenol]manganese(II)","","- C46 H28 Mn N8 O6 -","- C46 H28 Mn N8 O6 -","- C184 H112 Mn4 N32 O24 -","4","0.5","HB2137","Qing-Wei Wang; Zhi-Xin Yu; Xiao-Hong Zhao; Guang-Bo Che","(Benzene-1,2-dicarboxylato)bis[4-(1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)phenol]manganese(II)","Acta Crystallographica Section E","2006","62","10","m2538","m2539","10.1107/S1600536806036063","","","0.71073","MoKα","","0.0567","0.0405","","","0.093","0.1004","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210629","7.491","0.0015","15.613","0.003","15.1","0.003","90","","90.59","0.03","90","","1766","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl {2-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-ylmethoxy]phenyl}acetate","","- C18 H14 Cl2 N2 O4 -","- C18 H14 Cl2 N2 O4 -","- C72 H56 Cl8 N8 O16 -","4","1","HB2139","Liu, Zhi-Qian; Liu, Zhi-Qian; Xing, Zhi-Tao; Yan, Xiao-Chen; Wang, Hai-Bo","Methyl {2-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-ylmethoxy]phenyl}acetate","Acta Crystallographica Section E","2006","62","10","o4405","o4406","10.1107/S1600536806036142","","","0.71073","MoKα","","0.1314","0.0688","","","0.1468","0.1777","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210630","5.5281","0.0004","12.8677","0.0009","11.092","0.0009","90","","92.953","0.003","90","","787.97","0.1","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-3-[(E)-3-(2-Furyl)acryloyl]-5,5-dimethyl-4-phenyloxazolidin-2-one","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C36 H34 N2 O8 -","2","1","HB2140","Lei Nie; Rui Yang; Juan Wang; Sheng-Jiao Yan; Jun Lin","(<i>R</i>)-3-[(<i>E</i>)-3-(2-Furyl)acryloyl]-5,5-dimethyl-4-phenyloxazolidin-2-one","Acta Crystallographica Section E","2006","62","10","o4493","o4494","10.1107/S1600536806036890","","","0.71073","MoKα","","0.0323","0.0306","","","0.0833","0.0853","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210631","20.272","0.003","16.568","0.003","12.348","0.002","90","","90","","90","","4147.3","1.2","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(E)-1-[3-Methoxy-4-(p-tolylsulfonyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine","","- C21 H19 N3 O6 S -","- C21 H19 N3 O6 S -","- C168 H152 N24 O48 S8 -","8","2","HB2141","Chen, Xin; Yu, Ming","(<i>E</i>)-1-[3-Methoxy-4-(<i>p</i>-tolylsulfonyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine","Acta Crystallographica Section E","2006","62","10","o4535","o4536","10.1107/S1600536806037470","","","0.71073","MoKα","","0.1736","0.0509","","","0.0693","0.0857","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210632","8.657","0.002","10.193","0.003","12.561","0.003","67.272","0.004","71.84","0.004","82.758","0.004","971.4","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","(4-Tert-butyl-2,6-dimethyl-3,5-dinitro)-Benzoyl Ketene Dimethylmercaptal","3-(4-tert-Butyl-2,6-dimethyl-3,5-dinitrobenzoyl)- 1,1-bis(methylsulfanyl)prop-2-en-1-one","","- C17 H22 N2 O5 S2 -","- C17 H22 N2 O5 S2 -","- C34 H44 N4 O10 S4 -","2","1","HB2143","Liao, Jiang-Peng; Zhang, Ti; Yu, Chu-Yi; Huang, Zhi-Tang","3-(4-<i>tert</i>-Butyl-2,6-dimethyl-3,5-dinitrobenzoyl)-1,1-bis(methylsulfanyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","10","o4537","o4538","10.1107/S1600536806037214","","","0.71073","MoKα","","0.084","0.0437","","","0.098","0.1147","","","","","","1.069","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210633","7.2441","0.0006","12.326","0.001","12.395","0.001","76.336","0.001","74.12","0.001","86.253","0.001","1034.39","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-methyl-1H-indole-3-carbaldehyde 4-hydroxybenzoylhydrazonato-κ^2^N,O)nickel(II) N,N-dimethylformamide disolvate dihydrate","","- C40 H46 N8 Ni O8 -","- C40 H46 N8 Ni O8 -","- C40 H46 N8 Ni O8 -","1","0.5","HB2145","Ali, Hapipah M.; Najwa, Mohd Idris; Xie, Ming-Jin; Ng, Seik Weng","Bis(2-methyl-1<i>H</i>-indole-3-carbaldehyde 4-hydroxybenzoylhydrazonato-κ^2^<i>N</i>,<i>O</i>)nickel(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate dihydrate","Acta Crystallographica Section E","2006","62","10","m2625","m2626","10.1107/S1600536806037172","","","0.71073","MoKα","","0.047","0.038","","","0.1","0.107","","","","","","1.02","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2210634","11.086","0.0009","5.9337","0.0005","21.625","0.002","90","","95.336","0.001","90","","1416.3","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Chloro-1H-indole-3-carbaldehyde benzoylhydrazone","","- C16 H12 Cl N3 O -","- C16 H12 Cl N3 O -","- C64 H48 Cl4 N12 O4 -","4","1","HB2146","Ali, Hapipah M.; Najwa, Mohd Idris; Xie, Ming-Jin; Ng, Seik Weng","5-Chloro-1<i>H</i>-indole-3-carbaldehyde benzoylhydrazone","Acta Crystallographica Section E","2006","62","10","o4529","o4530","10.1107/S1600536806037184","","","0.71073","MoKα","","0.052","0.037","","","0.095","0.106","","","","","","1.04","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2210635","8.7172","0.0008","8.6686","0.0008","19.96","0.002","90","","93.202","0.001","90","","1505.9","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Chloro-1H-indole-3-carbaldehyde 4-chlorobenzoylhydrazone","","- C16 H11 Cl2 N3 O -","- C16 H11 Cl2 N3 O -","- C64 H44 Cl8 N12 O4 -","4","1","HB2147","Ali, Hapipah M.; Najwa, Mohd Idris; Xie, Ming-Jin; Ng, Seik Weng","5-Chloro-1<i>H</i>-indole-3-carbaldehyde 4-chlorobenzoylhydrazone","Acta Crystallographica Section E","2006","62","10","o4531","o4532","10.1107/S1600536806037196","","","0.71073","MoKα","","0.0856","0.0512","","","0.1317","0.1552","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210636","7.5954","0.0005","16.901","0.004","7.2755","0.0005","90","","117.378","0.005","90","","829.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diaquabis[μ-1-(carboxylatomethyl)pyridinium-4-carboxylato- κ^2^O^1^:O^3^]cobalt(II)]","","- C16 H16 Co N2 O10 -","- C16 H16 Co N2 O10 -","- C32 H32 Co2 N4 O20 -","2","0.5","HB2148","Yang, Lin; Jiang, Ning-Yi; Chen, Xue-Hui; Li, Song-Lin","Poly[diaquabis[μ-1-(carboxylatomethyl)pyridinium-4-carboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]cobalt(II)]","Acta Crystallographica Section E","2006","62","10","m2636","m2638","10.1107/S1600536806037603","","","0.71073","MoKα","","0.0399","0.0308","","","0.0688","0.0724","","","","","","1.089","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2210637","8.63","0.0017","11.866","0.002","14.616","0.003","108.95","0.03","99.02","0.03","101.17","0.03","1349.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Acetyl-3,3-bis[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-ylmethyl]indolin-2-one","","- C30 H25 N5 O6 -","- C30 H25 N5 O6 -","- C60 H50 N10 O12 -","2","1","HB2149","Yan, Xiao-Chen; Wang, Hai-Bo; Liu, Zhi-Qian","1-Acetyl-3,3-bis[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-ylmethyl]indolin-2-one","Acta Crystallographica Section E","2006","62","10","o4640","o4641","10.1107/S1600536806038207","","","0.71073","MoKα","","0.1551","0.0896","","","0.1859","0.2229","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210638","10.1256","0.0005","8.0371","0.0004","14.9993","0.0007","90","","107.336","0.002","90","","1165.2","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(quinolin-8-yloxy)butanoic acid","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","HB2150","Ze-Bao Zheng; Ji-Kun Li; Ren-Tao Wu; Yi-Feng Sun","4-(Quinolin-8-yloxy)butanoic acid","Acta Crystallographica Section E","2006","62","10","o4611","o4612","10.1107/S1600536806037895","","","0.71073","MoKα","","0.0789","0.0733","","","0.1947","0.2009","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210639","12.498","0.003","8.241","0.0016","20.996","0.004","90","","93.21","0.03","90","","2159.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{2-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy}- N-(2,6-dimethylphenyl)acetamide","","- C24 H20 Cl N3 O3 -","- C24 H20 Cl N3 O3 -","- C96 H80 Cl4 N12 O12 -","4","1","HB2151","Ding, Wei-Lin; Xing, Zhi-Tao; Liu, Zhi-Qian; Wang, Hai-Bo","2-{2-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-<i>N</i>-(2,6-dimethylphenyl)acetamide","Acta Crystallographica Section E","2006","62","10","o4744","o4745","10.1107/S160053680603892X","","","0.71073","MoKα","","0.1299","0.0637","","","0.1344","0.16","","","","","","1.001","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210640","16.846","0.003","15.932","0.003","17.398","0.004","90","","108.38","0.03","90","","4431.3","1.7","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(2-phenyl-1H-1,3,7,8,-tetraazacyclopenta[l]phenanthrene)zinc(II)]- μ~3~-1,3-benzenedicarboxylato]","","- C27 H16 N4 O4 Zn -","- C27 H16 N4 O4 Zn -","- C216 H128 N32 O32 Zn8 -","8","1","HB2152","Xian-Feng Lin; Jun Sun; Zhi-Xin Yu; Xiao-Hong Zhao","Poly[[(2-phenyl-1<i>H</i>-1,3,7,8,-tetraazacyclopenta[<i>l</i>]phenanthrene)zinc(II)]-μ~3~-1,3-benzenedicarboxylato]","Acta Crystallographica Section E","2006","62","10","m2701","m2703","10.1107/S1600536806038098","","","0.71073","MoKα","","0.075","0.0414","","","0.0796","0.0895","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210641","15.133","0.005","10.119","0.005","19.134","0.005","90","","111.889","0.005","90","","2718.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-(2-Hydroxybenzylamino)benzoato-κO]triphenyltin","","- C32 H27 N O3 Sn -","- C32 H27 N O3 Sn -","- C128 H108 N4 O12 Sn4 -","4","1","HB2156","Hui Jiang; Jian-Fang Ma; Wen-Li Zhang","[4-(2-Hydroxybenzylamino)benzoato-κ<i>O</i>]triphenyltin(IV)","Acta Crystallographica Section E","2006","62","10","m2745","m2746","10.1107/S1600536806039043","","","0.71069","MoKα","","0.0482","0.0279","","","0.0594","0.0624","","","","","","0.911","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2210642","8.7105","0.0016","9.5778","0.0018","18.104","0.003","90","","100.761","0.018","90","","1483.8","0.5","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[μ-rel-(3R,6S)-10,22-Dichloro-3,6-dimethyl-3,6,14,18- tetraazatricyclo[18.3.1.1^8,12^]pentacosa-1(24),8,10,12(25),13,18,20,22- octane-24,25-diolato- κ^4^N^3^,N^6^,O^24^,O^25^:κ^4^N^14^,N^18^,O^24^,O^25^]dicopper(II) perchlorate","","- C23 H26 Cl4 Cu2 N4 O10 -","- C23 H26 Cl4 Cu2 N4 O10 -","- C46 H52 Cl8 Cu4 N8 O20 -","2","1","HG2075","Huan Liu; Yi-Zhi Li; Dan Hu; Zhi-Quan Pan; Xue-Lei Hu","[μ-<i>rel</i>-(3<i>R</i>,6S)-10,22-Dichloro-3,6-dimethyl-3,6,14,18-tetraazatricyclo[18.3.1.1^8,12^]pentacosa-1(24),8,10,12(25),13,18,20,22-octane-24,25-diolato-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>O</i>^24^,<i>O</i>^25^:κ^4^<i>N</i>^14^,<i>N</i>^18^,<i>O</i>^24^,<i>O</i>^25^]dicopper(II) perchlorate","Acta Crystallographica Section E","2006","62","10","m2530","m2531","10.1107/S1600536806035859","","","0.71073","MoKα","","0.0779","0.0612","","","0.1217","0.126","","","","","","1.005","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210643","13.902","0.003","9.337","0.0019","35.815","0.007","90","","90","","90","","4648.9","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[2-(Diphenylphosphino)phenyliminomethyl]ferrocene","","- C29 H24 Fe N P -","- C29 H24 Fe N P -","- C232 H192 Fe8 N8 P8 -","8","1","HG2079","Xiao-Lin Zhang; Ren-Yun Kuang; Qian-Yong Cao; Lai-Tao Luo","[2-(Diphenylphosphino)phenyliminomethyl]ferrocene","Acta Crystallographica Section E","2006","62","10","m2491","m2492","10.1107/S1600536806035082","","","0.71073","MoKα","","0.1725","0.0789","","","0.1569","0.1919","","","","","","0.948","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210644","6.061","0.0002","10.015","0.0003","13.52","0.0004","91.444","0.001","92.406","0.001","98.109","0.0017","811.35","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","3,5-Bis(4-fluorophenyl)-1-propyl-1,3,5-triazacyclohexane","","- C18 H21 F2 N3 -","- C18 H21 F2 N3 -","- C36 H42 F4 N6 -","2","1","HG2080","Latreche, Saida; Bouchemma, Ahcene; Bouacida, Sofiane; Bouhenguel, Mustapha; Mousser, Abdelhamid","3,5-Bis(4-fluorophenyl)-1-propyl-1,3,5-triazacyclohexane","Acta Crystallographica Section E","2006","62","10","o4674","o4675","10.1107/S160053680603546X","","","0.71073","MoKα","","0.0803","0.0697","","","0.1665","0.1718","","","","","","1.148","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210645","10.931","0.003","10.962","0.003","12.044","0.003","82.94","0.001","82.7","0.001","84.42","0.001","1415.7","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis[(4-nitrobenzyl)tripenylphosphinium] bis(maleonitriledithiolato)nickel(II) dihydrate","","- C58 H46 N6 Ni O6 P2 S4 -","- C58 H46 N6 Ni O6 P2 S4 -","- C58 H46 N6 Ni O6 P2 S4 -","1","0.5","HG2084","Ming-Guo Liu; Chun-Lin Ni","Bis[(4-nitrobenzyl)triphenylphosphinium]bis(maleonitriledithiolato)nickelate(II) dihydrate","Acta Crystallographica Section E","2006","62","10","m2445","m2447","10.1107/S1600536806034386","","","0.71073","MoKα","","0.0592","0.0529","","","0.124","0.1271","","","","","","1.009","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210646","8.936","0.002","13.186","0.003","13.261","0.003","72.16","0.03","89.2","0.03","71.12","0.03","1401.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(1-ethyl-1H-imidazole-κN^3^)diisothiocyanatonickel(II)","","- C22 H32 N10 Ni S2 -","- C22 H32 N10 Ni S2 -","- C44 H64 N20 Ni2 S4 -","2","1","HG2085","Fa-Qian Liu; Hong-Na Chen; Rong-Xun Li; Guang-Ye Liu; Wei-Hua Li","Tetrakis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)diisothiocyanatonickel(II)","Acta Crystallographica Section E","2006","62","10","m2457","m2458","10.1107/S1600536806031801","","","0.71073","MoKα","","0.093","0.0729","","","0.1791","0.1983","","","","","","1.057","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210647","12.345","0.002","10.39","0.001","13.569","0.002","90","","100.143","0.002","90","","1713.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro{2,4-dichloro-6-[2-(isopropylammonio)ethyliminomethyl]phenolato}zinc(II)","","- C12 H16 Cl4 N2 O Zn -","- C12 H16 Cl4 N2 O Zn -","- C48 H64 Cl16 N8 O4 Zn4 -","4","1","HG2101","Yang-Jian Hu","Dichloro{2,4-dichloro-6-[2-(isopropylammonio)ethyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2006","62","10","m2515","m2516","10.1107/S1600536806035458","","","0.71073","MoKα","","0.0672","0.0439","","","0.0903","0.0995","","","","","","1.038","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210648","5.9541","0.0019","25.047","0.008","11.215","0.004","90","","100.775","0.007","90","","1643","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[bis[diaquaisonicotinatosamarium(III)]-bis(μ~3~-pyridine-3,4- dicarboxylato)]","","- C13 H11 N2 O8 Sm -","- C13 H11 N2 O8 Sm -","- C52 H44 N8 O32 Sm4 -","4","1","HG2102","Wang, Fang; He, Yong-Ke; Ma, Yi; Han, Zheng-Bo","<i>catena</i>-Poly[bis[diaquaisonicotinatosamarium(III)]-bis(μ~3~-pyridine-3,4-dicarboxylato)]","Acta Crystallographica Section E","2006","62","10","m2505","m2506","10.1107/S1600536806035471","","","0.71073","MoKα","","0.0276","0.0252","","","0.0603","0.0616","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210649","12.041","0.001","11.436","0.001","18.908","0.002","90","","90","","90","","2603.6","0.4","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{2-[2-(ethylamino)ethyliminomethyl]-4-nitrophenolato}cobalt(III) nitrate","","- C22 H28 Co N7 O9 -","- C22 H28 Co N7 O9 -","- C88 H112 Co4 N28 O36 -","4","0.5","HG2103","Hong-Wei Lin; Zhen-Feng Chen","Bis{2-[2-(ethylamino)ethyliminomethyl]-4-nitrophenolato}cobalt(III) nitrate","Acta Crystallographica Section E","2006","62","10","m2512","m2514","10.1107/S1600536806035446","","","0.71073","MoKα","","0.0681","0.0458","","","0.1167","0.1304","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210650","31.3651","0.0006","8.7024","0.0002","19.1498","0.0004","90","","93.695","0.001","90","","5216.1","0.19","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H19 Cl3 O6 P2 Pd -","- C24.5 H19 Cl3 O6 P2 Pd -","- C196 H152 Cl24 O48 P16 Pd8 -","8","1","HG2105","Meijboom, Reinout; Muller, Alfred","<i>cis</i>-Dichlorobis(tri-2-furylphosphine)palladium(II) dichloromethane hemisolvate","Acta Crystallographica Section E","2006","62","10","m2642","m2644","10.1107/S1600536806036634","","","0.71073","MoKα","","","0.0311","","","","0.0728","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2210651","26.8141","0.0013","26.8141","0.0013","10.8765","0.0011","90","","90","","120","","6772.5","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","Dianin's compound trichloroacetonitrile clathrate","4-(2,2,4-trimethylchroman-4-yl)phenol‒trichloroacetonitrile (6/1)","","- C110 H120 Cl3 N O12 -","- C110 H120 Cl3 N O12 -","- C330 H360 Cl9 N3 O36 -","3","0.166667","HG2106","Tia Jacobs; Gareth O. Lloyd; Martin W. Bredenkamp","Dianin's compound trichloroacetonitrile clathrate","Acta Crystallographica Section E","2006","62","10","o4400","o4402","10.1107/S1600536806035884","","","0.71073","MoKα","","0.062","0.052","","","0.138","0.144","","","","","","1.034","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210652","14.276","0.005","14.276","0.005","51.421","0.005","90","0.005","90","0.005","120","0.005","9076","5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","Tetrakis(triphenylarsine)silver(I) hexafluorophosphate","","- C72 H60 Ag As4 F6 P -","- C72 H60 Ag As4 F6 P -","- C432 H360 Ag6 As24 F36 P6 -","6","0.333333","HG2108","Meijboom, Reinout; Janse van Rensburg, J. Marthinus; Kirsten, Leo; Viljoen, J. Augustinus","Tetrakis(triphenylarsine)silver(I) hexafluorophosphate","Acta Crystallographica Section E","2006","62","10","m2567","m2569","10.1107/S1600536806036373","","","0.71073","MoKα","","","0.0315","","","","0.0717","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210653","6.813","0.0006","10.478","0.0008","12.322","0.001","114.089","0.004","94.033","0.004","91.32","0.005","799.74","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","1,3-bis(p-fluorophenyl)-5-propyl-1,3,5-triazacyclohexane","1,3-Bis(2-fluorophenyl)-5-propyl-1,3,5-triazacyclohexane","","- C18 H21 F2 N3 -","- C18 H21 F2 N3 -","- C36 H42 F4 N6 -","2","1","HK2091","Latreche, Saida; Bouchemma, Ahcene; Bouacida, Sofiane; Bouhenguel, Mustapha; Mousser, Abdelhamid","1,3-Bis(2-fluorophenyl)-5-propyl-1,3,5-triazacyclohexane","Acta Crystallographica Section E","2006","62","10","o4676","o4678","10.1107/S1600536806030601","","","0.71073","MoKα","","0.0734","0.0577","","","0.1375","0.1474","","","","","","1.092","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210654","9.288","0.0019","8.816","0.0018","4.812","0.001","90","","90","","90","","394.02","0.14","294","2","294","2","","","","","","","","5","P m n 21","P 2ac -2","31","","Phenylmethanesulfonyl fluoride","","- C7 H6 F O2 S -","- C7 H6 F O2 S -","- C14 H12 F2 O4 S2 -","2","0.5","HK2112","Wu, Jun-Hua; Fang, Rui-Qin; Shen, Li","Phenylmethanesulfonyl fluoride","Acta Crystallographica Section E","2006","62","10","o4251","o4252","10.1107/S1600536806034726","","","0.71073","MoKα","","0.0519","0.0427","","","0.1088","0.1149","","","","","","1.101","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210655","5.756","0.0012","5.027","0.001","22.402","0.005","90","","91.19","0.03","90","","648.1","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Fluorophenylboronic acid","","- C6 H6 B F O2 -","- C6 H6 B F O2 -","- C24 H24 B4 F4 O8 -","4","1","HK2115","Ya-Ming Wu; Chang-Chuan Dong; Shan Liu; Hong-Jun Zhu; Yi-Zu Wu","3-Fluorophenylboronic acid","Acta Crystallographica Section E","2006","62","10","o4236","o4237","10.1107/S1600536806034763","","","0.71073","MoKα","","0.1053","0.0843","","","0.1812","0.1886","","","","","","0.97","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210656","13.812","0.003","7.54","0.0015","16.708","0.003","90","","90","","90","","1740","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Methyl-1-phenyl-4,5-dihydro-1,2,4-triazol-5(1H)-one","","- C9 H9 N3 O -","- C9 H9 N3 O -","- C72 H72 N24 O8 -","8","1","HK2117","Jing, Heng; Hong-Jun Zhu; Shan Liu; Wei Zheng; Ya-Ming Wu","3-Methyl-1-phenyl-4,5-dihydro-1,2,4-triazol-5(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4318","o4319","10.1107/S1600536806035100","","","0.71073","MoKα","","0.1044","0.0545","","","0.1225","0.1458","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210657","14.253","0.016","20.66","0.02","8.057","0.009","90","","90","","90","","2373","4","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","work","2,4-Bis(methoxymethyl)-1,3,5-trimethylbenzene","","- C13 H20 O2 -","- C13 H20 O2 -","- C104 H160 O16 -","8","0.5","HK2120","Liliana Dobrzańska; Greta Heydenrych","2,4-Bis(methoxymethyl)-1,3,5-trimethylbenzene","Acta Crystallographica Section E","2006","62","10","o4710","o4712","10.1107/S1600536806038074","","","0.71073","MoKα","","0.0862","0.0699","","","0.1556","0.1651","","","","","","1.092","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210658","9.99","0.003","8.313","0.001","21.437","0.002","90","","90.75","0.03","90","","1780.1","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dibenzoylterephthalic acid pyridine tetrasolvate","","- C42 H34 N4 O6 -","- C42 H34 N4 O6 -","- C84 H68 N8 O12 -","2","0.5","HK2121","Shan Liu; Jing Heng; Hong-Jun Zhu","2,5-Dibenzoylterephthalic acid pyridine tetrasolvate","Acta Crystallographica Section E","2006","62","10","o4631","o4633","10.1107/S1600536806038256","","","0.71073","MoKα","","0.2057","0.0757","","","0.1389","0.1877","","","","","","1.059","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210659","6.245","0.003","7.106","0.004","15.858","0.008","77.993","0.009","87.575","0.01","67.574","0.008","635.7","0.6","294","2","294","2","","","","","","","","4","P 1","P 1","1","Cyclovirobuxine A","3α,20-Bis(dimethylamino)-4,4,14-trimethyl-9,19-cyclo-5α-pregnan-16-ol","","- C28 H50 N2 O -","- C28 H50 N2 O -","- C28 H50 N2 O -","1","1","HK2124","Hai-Feng Liu; Li-Na Huang; Min Ji","3α,20-Bis(dimethylamino)-4,4,14-trimethyl-9,19-cyclo-5α-pregnan-16-ol","Acta Crystallographica Section E","2006","62","10","o4517","o4518","10.1107/S1600536806037251","","","0.71073","MoKα","","0.1363","0.0537","","","0.0782","0.0954","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210660","8.4122","0.0009","5.0193","0.0005","26.333","0.003","90","","93.486","0.002","90","","1109.8","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diamino-4-phenyltriazinium chloride monohydrate","","- C9 H12 Cl N5 O -","- C9 H12 Cl N5 O -","- C36 H48 Cl4 N20 O4 -","4","1","HK2125","Sheshmani, Shabnam; Ghadermazi, Mohammad; Aghabozorg, Hossein; Nakhjavan, Bahar","2,6-Diamino-4-phenyltriazinium chloride monohydrate","Acta Crystallographica Section E","2006","62","10","o4681","o4682","10.1107/S1600536806038475","","","0.71073","MoKα","","0.0489","0.0367","","","0.0727","0.0767","","","","","","1.019","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210661","10.0396","0.0005","9.8912","0.0005","18.9631","0.0009","90","","94.965","0.003","90","","1876.04","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 4-{[(1Z)-1-benzoyl-3-oxo-3-phenylprop-1-en-1-yl]amino}benzoate","","- C24 H19 N O4 -","- C24 H19 N O4 -","- C96 H76 N4 O16 -","4","1","HK2131","Kuhn, Annemarie; Conradie, Marrigje; Muller, Alfred; Conradie, Jeanet","Methyl 4-{[(1<i>Z</i>)-1-benzoyl-3-oxo-3-phenylprop-1-en-1-yl]amino}benzoate","Acta Crystallographica Section E","2006","62","10","o4717","o4719","10.1107/S1600536806038645","","","0.71073","MoKα","","","0.0614","","","","0.1441","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210662","9.9544","0.0002","14.2182","0.0003","14.2552","0.0003","90","","91.963","0.001","90","","2016.41","0.07","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-3-[4-(dibromomethyl)benzyl]imidazolium hexafluorophosphate","","- C18 H17 Br2 F6 N2 P -","- C18 H17 Br2 F6 N2 P -","- C72 H68 Br8 F24 N8 P4 -","4","1","HK2132","Huan-Xia Zhang; Da-Bin Qin; Lin-Hai Jing; Shao-Jin Gu","1-Benzyl-3-[4-(dibromomethyl)benzyl]imidazolium hexafluorophosphate","Acta Crystallographica Section E","2006","62","10","o4748","o4749","10.1107/S1600536806038852","","","0.71073","MoKα","","0.0427","0.0362","","","0.0948","0.0993","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210663","5.638","0.0011","9.889","0.002","11.387","0.002","79.6","0.03","78.92","0.03","83.76","0.03","611","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2,5-Dibenzoylterephthalic acid acetic acid disolvate","","- C26 H22 O10 -","- C26 H22 O10 -","- C26 H22 O10 -","1","0.5","HK2134","Shan Liu; Hong-Jun Zhu; Wei Zheng; Rui Liu; Shui-Ping Deng","2,5-Dibenzoylterephthalic acid acetic acid disolvate","Acta Crystallographica Section E","2006","62","10","o4723","o4724","10.1107/S1600536806038827","","","0.71073","MoKα","","0.0975","0.0572","","","0.1469","0.1685","","","","","","0.977","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210664","4.696","0.005","16.256","0.005","15","0.005","90","0.005","98.341","0.005","90","0.005","1133","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{μ-1,4-Bis[2-(2-pyridyl)imidazol-1-yl]butane}bis[dichlorocopper(II)]","","- C20 H20 Cl4 Cu2 N6 -","- C20 H20 Cl4 Cu2 N6 -","- C40 H40 Cl8 Cu4 N12 -","2","0.5","HY2010","Ya-Qian Lan; Yao-Mei Fu; Kui-Zhan Shao; Zhong-Min Su","{μ-1,4-Bis[2-(2-pyridyl)imidazol-1-yl]butane}bis[dichlorocopper(II)]","Acta Crystallographica Section E","2006","62","10","m2586","m2587","10.1107/S1600536806027528","","","0.71073","MoKα","","0.0744","0.0539","","","0.1417","0.1488","","","","","","1.104","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210665","13.459","0.004","8.817","0.003","13.951","0.004","90","","102.097","0.004","90","","1618.8","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(diethylenetriamine-κ^3^N)cobalt(II) dichloride monohydrate","","- C8 H28 Cl2 Co N6 O -","- C8 H28 Cl2 Co N6 O -","- C32 H112 Cl8 Co4 N24 O4 -","4","1","HY2011","Hong-Juan Li; Li-Mei Sun; Zhi-Hong Liu","Bis(diethylenetriamine-κ^3^<i>N</i>)cobalt(II) dichloride monohydrate","Acta Crystallographica Section E","2006","62","10","m2522","m2523","10.1107/S1600536806035896","","","0.71073","MoKα","","0.0548","0.0353","","","0.0845","0.0977","","","","","","1.074","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210666","13.285","0.003","9.3058","0.0018","22.913","0.005","90","","105.296","0.004","90","","2732.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[tribenzimidazolecadmium(II)]-μ-benzene-1,2-dicarboxylato]","","- C29 H22 Cd N6 O4 -","- C29 H22 Cd N6 O4 -","- C116 H88 Cd4 N24 O16 -","4","1","HY2012","Yun-Cheng Cui; Jia-Jun Wang; Guang-Bo Che; Chuan-Bi Li","<i>catena</i>-Poly[[tris(benzimidazole)cadmium(II)]-μ-benzene-1,2-dicarboxylato]","Acta Crystallographica Section E","2006","62","10","m2761","m2763","10.1107/S1600536806039122","","","0.71073","MoKα","","0.0547","0.032","","","0.0536","0.0579","","","","","","0.958","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210667","14.105","0.007","8.999","0.005","21.603","0.011","90","","100.47","0.007","90","","2696","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1,4,7-tribenzyl-1,4,7-triazacyclononane)diazidocopper(II)","","- C27 H33 Cu N9 -","- C27 H33 Cu N9 -","- C108 H132 Cu4 N36 -","4","1","HY2017","Yang, Yong-Sheng; Gu, Wen; Qian, Jing; Gao, Feng-Xian; Yan, Shi-Ping","Diazido(1,4,7-tribenzyl-1,4,7-triazacyclononane-κ^3^<i>N</i>)copper(II)","Acta Crystallographica Section E","2006","62","10","m2437","m2438","10.1107/S1600536806031631","","","0.71073","MoKα","","0.0391","0.0285","","","0.0746","0.0792","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210668","9.6401","0.0009","26.67","0.003","7.0304","0.0007","90","","105.145","0.002","90","","1744.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-sulfato-bis[aqua(dipyridophenazine)copper(II)] dihydrate","","- C36 H28 Cu2 N8 O12 S2 -","- C36 H28 Cu2 N8 O12 S2 -","- C72 H56 Cu4 N16 O24 S4 -","2","0.5","HY2018","He, Yong-Ke; Han, Zheng-Bo","Di-μ-sulfato-bis[aqua(dipyridophenazine)copper(II)] dihydrate","Acta Crystallographica Section E","2006","62","10","m2676","m2677","10.1107/S1600536806038001","","","0.71073","MoKα","","0.0459","0.0393","","","0.1061","0.1175","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210669","19.1398","0.0007","8.5993","0.0003","24.1605","0.0008","90","","111.38","0.001","90","","3702.9","0.2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-chloro-bis({methyl [N,N-bis(2-pyridylmethyl)amino]acetate- κ^4^N,N',N'',O}copper(II)) diperchlorate monohydrate","","- C30 H36 Cl4 Cu2 N6 O13 -","- C30 H36 Cl4 Cu2 N6 O13 -","- C120 H144 Cl16 Cu8 N24 O52 -","4","0.5","HY2022","Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D.","Di-μ-chloro-bis({methyl [<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)amino]acetate- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}copper(II)) diperchlorate monohydrate","Acta Crystallographica, Section E","2006","62","10","m2453","m2454","10.1107/S1600536806034908","","","0.71073","MoKα","","0.0694","0.0483","","","0.11","0.1158","","","","","","1.114","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210670","10.0527","0.0007","10.7295","0.0007","16.5864","0.0012","73.027","0.005","88.204","0.006","89.503","0.006","1710.3","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","3,3'-(Pyridine-2,6-diyl)bis(4-allyl-4,5-dihydro-1H-1,2,4-triazole-5-thione)","","- C15 H15 N7 S2 -","- C15 H15 N7 S2 -","- C60 H60 N28 S8 -","4","2","IS2068","Çetin, Ahmet; Dinçer, Muharrem; Özdemir, Namık; Dayan, Osman; Cansız, Ahmet","3,3'-(Pyridine-2,6-diyl)bis(4-allyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione)","Acta Crystallographica Section E","2006","62","10","o4385","o4387","10.1107/S1600536806035495","","","0.71073","MoKα","","0.0678","0.0509","","","0.1378","0.1471","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210671","10.1218","0.0015","13.583","0.002","18.622","0.003","90","","103.072","0.006","90","","2493.9","0.7","110","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,9-Dibenzyl-10-trimethylsilyl-9,10-dihydroanthracene","","- C31 H32 Si -","- C31 H32 Si -","- C124 H128 Si4 -","4","1","IS2070","Liu, Jian-Zhong; Dhar, Raj K.; Fronczek, Frank R.; Peter W. Rabideau; Watkins, Steven F.","9,9-Dibenzyl-10-trimethylsilyl-9,10-dihydroanthracene","Acta Crystallographica Section E","2006","62","10","o4452","o4453","10.1107/S1600536806036440","","","0.71073","MoKα","","","0.0514","","","","0.1486","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210672","10.4444","0.0013","10.9943","0.0013","16.976","0.002","83.637","0.002","74.85","0.002","70.582","0.002","1773.9","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine dimethylformamide sesquisolvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine dimethylformamide sesquisolvate","","- C13.5 H17.5 Cl2 N6.5 O1.5 -","- C13.5 H17.5 Cl2 N6.5 O1.5 -","- C54 H70 Cl8 N26 O6 -","4","2","IS2071","Balasubramanian Sridhar; Krishnan Ravikumar","Lamotrigine dimethylformamide sesquisolvate","Acta Crystallographica Section E","2006","62","10","o4752","o4754","10.1107/S1600536806039353","","","0.71073","MoKα","","0.0682","0.0516","","","0.1554","0.1725","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210673","5.926","0.002","8.398","0.003","17.518","0.007","95.986","0.007","90.837","0.007","109.706","0.006","815.1","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","4-phthalimidobenzoic acid N,N-dimethylformamide solvate","","- C18 H16 N2 O5 -","- C18 H16 N2 O5 -","- C36 H32 N4 O10 -","2","1","IS2072","Liang, Zu-Pei; Li, Jian; Huang, Ben-Yu","4-Phthalimidobenzoic acid <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2006","62","10","o4761","o4762","10.1107/S1600536806039456","","","0.71073","MoKα","","0.0821","0.0435","","","0.1042","0.1268","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210674","8.256","0.003","10.017","0.004","10.181","0.004","85.629","0.007","85.187","0.007","77.572","0.008","817.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-(Quinolin-8-yl)-2-(quinolin-8-yloxy)acetamide","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C40 H30 N6 O4 -","2","1","IS2074","Yong-Hong Wen; Li-Li Xu; Sai Bi; Shu-Sheng Zhang","<i>N</i>-(Quinolin-8-yl)-2-(quinolin-8-yloxy)acetamide","Acta Crystallographica Section E","2006","62","10","o4476","o4477","10.1107/S1600536806036658","","","0.71073","MoKα","","0.0919","0.0526","","","0.1109","0.1293","","","","","","0.98","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210675","9.307","0.007","12.13","0.01","12.718","0.01","67.92","0.013","89.065","0.013","77.497","0.012","1295.6","1.8","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-{2-[2-(2,4-Dinitrophenoxy)ethoxy]-3-methoxybenzylideneamino}-1,5- dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C27 H25 N5 O8 -","- C27 H25 N5 O8 -","- C54 H50 N10 O16 -","2","1","IS2075","Diao, Chun-Hua; Yu, Ming","(<i>E</i>)-4-{2-[2-(2,4-Dinitrophenoxy)ethoxy]-3-methoxybenzylideneamino}-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4482","o4483","10.1107/S1600536806036683","","","0.71073","MoKα","","0.0955","0.0445","","","0.0921","0.11","","","","","","1.073","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210676","9.032","0.004","12.288","0.005","13.054","0.005","63.883","0.007","83.801","0.007","88.328","0.007","1293","0.9","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-{4-[2-(2,4-Dinitrophenoxy)ethoxy]-3-methoxybenzylideneamino}-1,5- dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C27 H25 N5 O8 -","- C27 H25 N5 O8 -","- C54 H50 N10 O16 -","2","1","IS2076","Diao, Chun-Hua; Jing, Zuo-Liang","(<i>E</i>)-4-{4-[2-(2,4-Dinitrophenoxy)ethoxy]-3-methoxybenzylideneamino}-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4599","o4600","10.1107/S1600536806037810","","","0.71073","MoKα","","0.1039","0.0477","","","0.1069","0.1312","","","","","","0.99","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210677","7.3031","0.0003","10.3422","0.0004","21.3355","0.0009","90","","90","","90","","1611.47","0.11","100","0.1","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-(4-Bromophenyl)-3-(2,4,5-trimethoxyphenyl) prop-2-en-1-one","1-(4-Bromophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 Br O4 -","- C18 H17 Br O4 -","- C72 H68 Br4 O16 -","4","1","IS2077","P. S. Patil; Mohd Mustaqim Rosli; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","1-(4-Bromophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","10","o4644","o4645","10.1107/S1600536806038232","","","0.71073","MoKα","","0.0534","0.0323","","","0.0654","0.074","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210678","22.997","0.002","10.4104","0.0009","16.2512","0.0018","90","","133.949","0.003","90","","2801.1","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[di-μ-chloro-bis(1,10-phenanthroline)-μ~4~-terephthalato-dimanganese(II)]","","- C32 H20 Cl2 Mn2 N4 O4 -","- C32 H20 Cl2 Mn2 N4 O4 -","- C128 H80 Cl8 Mn8 N16 O16 -","4","0.5","IS2079","Jian-Hua Sun; Tong-Ming Shang","Poly[di-μ-chloro-bis(1,10-phenanthroline)-μ~4~-terephthalato-dimanganese(II)]","Acta Crystallographica Section E","2006","62","10","m2775","m2777","10.1107/S1600536806039134","","","0.71073","MoKα","","0.0486","0.0447","","","0.0901","0.0921","","","","","","1.192","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210679","16.435","0.002","8.6228","0.0013","17.634","0.003","90","","90","","90","","2499","0.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","di-μ-cyano-1:2κ^2^C:N;2:3κ^2^N:C-dicyano-1κC,3κC-(5,7,7,12,14,14- hexamethyl-1,4,8,11-tetraazacylotetradecane-2κ^4^N)nickel(II)disilver(I)","","- C20 H36 Ag2 N8 Ni -","- C20 H36 Ag2 N8 Ni -","- C80 H144 Ag8 N32 Ni4 -","4","0.5","JH2029","Ying-Ying Kou; Wen Gu; Zhan-Quan Liu; Hui Liu; Shi-Ping Yan","Di-μ-cyano-1:2κ^2^<i>C</i>:<i>N</i>;2:3κ^2^<i>N</i>:<i>C</i>-dicyano-1κ<i>C</i>,3κ<i>C</i>-(5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacylotetradecane-2κ^4^<i>N</i>)nickel(II)disilver(I)","Acta Crystallographica Section E","2006","62","10","m2631","m2633","10.1107/S1600536806036853","","","0.71073","MoKα","","0.0446","0.0278","","","0.0718","0.0774","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210680","16.8105","0.0013","10.1481","0.0008","19.6316","0.0014","90","","106.37","0.004","90","","3213.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Hippurato-κ^2^O,O')bis(1,10-phenanthroline-κ^2^N,N')copper(II) perchlorate dihydrate","","- C33 H28 Cl Cu N5 O9 -","- C33 H28 Cl Cu N5 O9 -","- C132 H112 Cl4 Cu4 N20 O36 -","4","1","JH2034","Gui-Quan Guo; Fu-Ping Chen; Hong-Yun Jin; Xian-Wen Wang; Bo Hu","(Hippurato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate dihydrate","Acta Crystallographica Section E","2006","62","10","m2555","m2557","10.1107/S160053680603618X","","","0.71073","MoKα","","0.0704","0.038","","","0.0829","0.0898","","","","","","1","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210681","27.6765","0.0016","10.6137","0.0006","11.682","0.0007","90","","90","","90","","3431.6","0.3","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{2-[(2-oxidoethyl)iminomethyl]phenolato-κ^3^O,N,O'}manganese(IV) hemihydrate","","- C18 H19 Mn N2 O4.5 -","- C18 H19 Mn N2 O4.5 -","- C144 H152 Mn8 N16 O36 -","8","1","JH2035","Shu-Zhong Zhan; Ying-Jun Zhang; Jian-Ge Wang","Bis{2-[(2-oxidoethyl)iminomethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}manganese(IV) hemihydrate","Acta Crystallographica Section E","2006","62","10","m2713","m2714","10.1107/S1600536806038268","","","0.71073","MoKα","","0.0378","0.0299","","","0.0841","0.0904","","","","","","1.019","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210682","7.7452","0.0005","9.2404","0.0006","12.6789","0.0009","101.476","0.001","107.091","0.001","90.929","0.001","847.3","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5-(4-Bromophenyl)-3-methylsulfanyl-2-phenyl-1-benzofuran","","- C21 H15 Br O S -","- C21 H15 Br O S -","- C42 H30 Br2 O2 S2 -","2","1","JH2036","Choi, Hong Dae; Woo, Hyun Mi; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-(4-Bromophenyl)-3-methylsulfanyl-2-phenyl-1-benzofuran","Acta Crystallographica Section E","2006","62","10","o4708","o4709","10.1107/S1600536806038311","","","0.71073","MoKα","","0.0338","0.0304","","","0.0812","0.083","","","","","","0.979","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210683","8.602","0.002","11.709","0.003","11.984","0.003","105.472","0.004","94.977","0.004","109.737","0.004","1073.9","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1-(2,5-Dimethyl-3-thienyl)-3,3,4,4,5,5-hexafluoro-2-[5-(4-fluorophenyl)- 2-methyl-3-thienyl]cyclopent-1-ene","","- C22 H15 F7 S2 -","- C22 H15 F7 S2 -","- C44 H30 F14 S4 -","2","1","JH2039","Wen, Zhen-Dong; Yan, Liu-Shui; Pu, Shou-Zhi; Xu, Jing-Kun","1-(2,5-Dimethyl-3-thienyl)-3,3,4,4,5,5-hexafluoro-2-[5-(4-fluorophenyl)-2-methyl-3-thienyl]cyclopent-1-ene: a new photochromic diarylethene compound","Acta Crystallographica Section E","2006","62","10","o4372","o4374","10.1107/S1600536806035744","","","0.71073","MoKα","","0.0706","0.0459","","","0.13","0.1469","","","","","","1.074","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210684","7.554","0.001","15.323","0.001","11.714","0.001","90","","97.134","0.001","90","","1345.4","0.2","293","2","292","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-(4-Bromobenzylidene)-2,4-dimethylaniline","","- C15 H14 Br N -","- C15 H14 Br N -","- C60 H56 Br4 N4 -","4","1","JH2040","Jiao, Yuan-Hong; Zhang, Qian; Ng, Seik Weng","<i>N</i>-(4-Bromobenzylidene)-2,4-dimethylaniline","Acta Crystallographica Section E","2006","62","10","o4375","o4376","10.1107/S1600536806035781","","","0.71073","MoKα","","0.053","0.044","","","0.126","0.137","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210685","10.004","0.009","13.319","0.012","17.439","0.016","93.785","0.013","99.392","0.013","106.116","0.013","2187","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Tris(N,N-dibenzylcarbamato-κ^2^S,S')bismuth(III)","","- C45 H42 Bi N3 S6 -","- C45 H42 Bi N3 S6 -","- C90 H84 Bi2 N6 S12 -","2","1","KJ2019","Feng Li; Han-Dong Yin; Jun Zhai; Da-Qi Wang","Tris(<i>N</i>,<i>N</i>-dibenzylcarbamato-κ^2^<i>S</i>,<i>S</i>')bismuth(III)","Acta Crystallographica Section E","2006","62","10","m2552","m2554","10.1107/S1600536806036488","","","0.71073","MoKα","","0.1679","0.0799","","","0.1762","0.2225","","","","","","1.005","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210686","17.732","0.004","7.2796","0.0015","8.0624","0.0016","90","","95.2","0.03","90","","1036.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[diaquabis(μ~2~-2,4-dichlorophenoxyacetato)cadmium(II)]","","- C16 H14 Cd Cl4 O8 -","- C16 H14 Cd Cl4 O8 -","- C32 H28 Cd2 Cl8 O16 -","2","0.5","KJ2022","Gu, Chang-Sheng; Liu, Ji-Wei; Hao, Xiao-Min; Song, Wen-Dong","A two-dimensional cadmium(II) coordination polymer: poly[diaquabis(μ~2~-2,4-dichlorophenoxyacetato)cadmium(II)]","Acta Crystallographica Section E","2006","62","10","m2397","m2399","10.1107/S1600536806034106","","","0.71073","MoKα","","0.0311","0.0259","","","0.0643","0.0669","","","","","","1.065","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210687","4.023","0.004","7.948","0.008","12.445","0.012","90","","92.803","0.018","90","","397.5","0.7","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-Nethylphthalimide","2-methylisoindoline-1,3-dione","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C18 H14 N2 O4 -","2","1","KJ2028","Liang, Zu-Pei; Li, Jian","<i>N</i>-Methylphthalimide","Acta Crystallographica Section E","2006","62","10","o4274","o4275","10.1107/S1600536806034933","","","0.71073","MoKα","","0.0958","0.0489","","","0.1105","0.1323","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210688","8.3453","0.0014","10.9683","0.0019","19.436","0.003","90","","90","","90","","1779.1","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2,3-Dioxo-5,6:14,15-dibenzo-1,4,8,12-tetraazacyclopentadeca-7,13- dienato(2-)]nickel(II)","","- C21 H20 N4 Ni O2 -","- C21 H20 N4 Ni O2 -","- C84 H80 N16 Ni4 O8 -","4","1","KP2038","Yan-Hong Zhang; Gui-Ru Deng; Guang-Ming Yang","[2,3-Dioxo-5,6:14,15-dibenzo-1,4,8,12-tetraazacyclopentadeca-7,13-dienato(2‒)]nickel(II)","Acta Crystallographica Section E","2006","62","10","m2717","m2718","10.1107/S1600536806038013","","","0.71073","MoKα","","0.0441","0.033","","","0.067","0.0714","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210689","13.678","0.004","5.925","0.0018","14.883","0.005","90","","114.983","0.005","90","","1093.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2-hydroxy-1-naphthaldehyde) oxaloyldihydrazone dihydrate","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C48 H44 N8 O12 -","2","0.5","KP2043","Zhu, Li-Na; Li, Chang-Qing; Li, Xiao-Zeng; Li, Rong","Bis(2-hydroxy-1-naphthaldehyde) oxaloyldihydrazone dihydrate","Acta Crystallographica Section E","2006","62","10","o4603","o4605","10.1107/S1600536806037615","","","0.71073","MoKα","","0.1017","0.0527","","","0.1155","0.1353","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210690","10.323","0.002","12.697","0.003","10.597","0.002","90","","95.57","0.03","90","","1382.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Hydroxybenzylidene)-4-phenylthiosemicarbazide","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C56 H52 N12 O4 S4 -","4","1","KP2045","Fang-Fang Jian; Ying Li","1-(4-Hydroxybenzylidene)-4-phenylthiosemicarbazide","Acta Crystallographica Section E","2006","62","10","o4563","o4564","10.1107/S1600536806037573","","","0.71073","MoKα","","0.0805","0.0388","","","0.096","0.1111","","","","","","1.025","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210691","8.0846","0.0012","17.213","0.002","13.1945","0.0015","90","","125.521","0.007","90","","1494.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquabis(dimethylyglyoximato-κ^2^N,N')nitrocobalt (III) monohydrate","","- C8 H18 Co N5 O8 -","- C8 H18 Co N5 O8 -","- C32 H72 Co4 N20 O32 -","4","1","KP2048","Rubin-Preminger, Janice M.; Englert, Ulli","Aquabis(dimethylyglyoximato-κ^2^<i>N</i>,<i>N</i>')nitrocobalt(III) monohydrate","Acta Crystallographica Section E","2006","62","10","m2659","m2660","10.1107/S1600536806037226","","","0.71073","MoKα","","0.1659","0.0872","","","0.1459","0.1727","","","","","","1.035","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210692","7.772","0.003","8.193","0.003","12.481","0.004","97.36","0.04","104.432","0.018","107.26","0.03","717.2","0.5","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","Tetra-μ~2~-selenido-diselenidobis[tris(2- aminoethyl)amine]dimanganese(II)ditin(IV)","","- C12 H36 Mn2 N8 Se6 Sn2 -","- C12 H36 Mn2 N8 Se6 Sn2 -","- C12 H36 Mn2 N8 Se6 Sn2 -","1","0.5","KP2055","Anna Kromm; William S. Sheldrick","Tetra-μ~2~-selenido-diselenidobis[tris(2-aminoethyl)amine]dimanganese(II)ditin(IV)","Acta Crystallographica Section E","2006","62","10","m2767","m2769","10.1107/S1600536806039286","","","0.71073","MoKα","","0.0694","0.0441","","","0.0987","0.1107","","","","","","1.017","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210693","20.754","0.004","5.89","0.001","16.273","0.004","90","","101.682","0.006","90","","1948","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Naphthalene-2,7-diol‒1,2,4-triazole (2/1)","","- C22 H19 N3 O4 -","- C22 H19 N3 O4 -","- C88 H76 N12 O16 -","4","1","LH2157","Wang, Yong-Tao; Tang, Gui-Mei; Ng, Seik Weng","Naphthalene-2,7-diol‒1,2,4-triazole (2/1)","Acta Crystallographica Section E","2006","62","10","o4429","o4430","10.1107/S160053680603580X","","","0.71073","MoKα","","0.208","0.076","","","0.157","0.215","","","","","","0.97","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210694","7.73","0.004","10","0.006","11.533","0.006","85.672","0.007","71.59","0.007","69.562","0.007","792","0.8","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[[aqua(5-amino-1H-1,2,4-triazole-κN^4^)zinc(II)]-μ- 5-carboxybenzene-1,3-dicarboxylato] dihydrate]","","- C11 H14 N4 O9 Zn -","- C11 H14 N4 O9 Zn -","- C22 H28 N8 O18 Zn2 -","2","1","LH2159","Qian Wang; Ming-Jie Wu; Xiu-Guang Wang; Xiao-Jun Zhao","<i>catena</i>-Poly[[[aqua(5-amino-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)zinc(II)]-μ-5-carboxybenzene-1,3-dicarboxylato] dihydrate]","Acta Crystallographica Section E","2006","62","10","m2496","m2498","10.1107/S1600536806035197","","","0.71073","MoKα","","0.0843","0.0548","","","0.1399","0.1524","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210695","6.291","0.002","12.052","0.002","17.688","0.004","90","","98.19","0.02","90","","1327.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(4-bromophenyl)oxazolo[3,2-a]pyrimidinium perchlorate","","- C12 H8 Br Cl N2 O5 -","- C12 H8 Br Cl N2 O5 -","- C48 H32 Br4 Cl4 N8 O20 -","4","1","LH2161","Victor B. Rybakov; Vadim L. Alifanov; Eugene V. Babaev","2-(4-Bromophenyl)oxazolo[3,2-<i>a</i>]pyrimidinium perchlorate","Acta Crystallographica Section E","2006","62","10","o4578","o4580","10.1107/S1600536806037299","","","1.5418","CuKα","","0.0463","0.0414","","","0.106","0.1112","","","","","","0.915","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210696","6.0426","0.0018","4.5978","0.0014","37.005","0.011","90","","91.82","0.005","90","","1027.6","0.5","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(Ethoxycarbonyl)anilinium chloride","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","LH2164","Wu, Bai-Cheng; Dai, Xu-Ya; Xiao, Feng-Ping; Jin, Long-Fei","4-(Ethoxycarbonyl)anilinium chloride","Acta Crystallographica Section E","2006","62","10","o4327","o4328","10.1107/S1600536806035203","","","0.71073","MoKα","","0.0983","0.0613","","","0.1343","0.1456","","","","","","0.977","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210697","11.0206","0.0012","16.1145","0.0016","13.039","0.0014","90","","107.081","0.004","90","","2213.5","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Bis(2-methyl-1-pyridyl)phenylphosphine-κ^2^N,P,N']trichlorochromium(III) acetonitrile solvate","","- C20 H20 Cl3 Cr N3 P -","- C20 H20 Cl3 Cr N3 P -","- C80 H80 Cl12 Cr4 N12 P4 -","4","1","LH2165","Klausmeyer, Kevin K.; Hung, Fernando","[Bis(2-methyl-1-pyridyl)phenylphosphine-κ^2^<i>N</i>,<i>P</i>,<i>N</i>']trichlorochromium(III) acetonitrile solvate","Acta Crystallographica Section E","2006","62","10","m2415","m2416","10.1107/S1600536806034593","","","0.71073","MoKα","","0.0607","0.0393","","","0.0773","0.0863","","","","","","1.032","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210698","4.6334","0.0013","5.4777","0.0014","23.161","0.002","90","","95.336","0.006","90","","585.3","0.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(R*,S*)-2,2'-(Ethane-1,2-diyldiimino)dibutan-1-ol","","- C10 H24 N2 O2 -","- C10 H24 N2 O2 -","- C20 H48 N4 O4 -","2","0.5","LH2166","Bai, Guo-Yi; Zhang, Chen-Fang; Qin, Xin-Ying; Zhang, Yue-Cheng; Zeng, Tao","(<i>R</i>,<i>S</i>)-2,2'-(Ethane-1,2-diyldiimino)dibutan-1-ol","Acta Crystallographica Section E","2006","62","10","o4222","o4223","10.1107/S160053680603457X","","","0.7107","MoKα","","0.0687","0.0589","","","0.1244","0.1304","","","","","","1.196","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210699","9.9124","0.0015","13.656","0.002","23.488","0.003","74.082","0.003","88.828","0.003","71.303","0.003","2888.2","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","[Bis(3-mesitylpyrazol-1-yl)(5-mesitylpyrazol-1-yl)borohydrido]dichloro(2,4,6- tri-tert-butylphenolato)titanium toluene solvate","","- C61 H77 B Cl2 N6 O Ti -","- C61 H77 B Cl2 N6 O Ti -","- C122 H154 B2 Cl4 N12 O2 Ti2 -","2","1","LH2167","Michiue, Kenji; Steele, Ian M.; Jordan, Richard F.","[Bis(3-mesitylpyrazol-1-yl)(5-mesitylpyrazol-1-yl)borohydrido]dichloro(2,4,6- tri-<i>tert</i>-butylphenolato)titanium toluene solvate","Acta Crystallographica, Section E","2006","62","10","m2455","m2456","10.1107/S1600536806034878","","","0.71073","MoKα","","0.1081","0.0706","","","0.1464","0.1617","","","","","","1.055","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2210700","12.882","0.0007","8.152","0.0004","22.585","0.0012","90","","104.284","0.001","90","","2298.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,2,7,8-Tetramethyl-4,5-dihydro-3a,5a-diazapyrene ditriflate","","- C20 H20 F6 N2 O6 S2 -","- C20 H20 F6 N2 O6 S2 -","- C80 H80 F24 N8 O24 S8 -","4","1","LH2168","Coe, Benjamin J.; Fitzgerald, Emma C.; Raftery, James","1,2,7,8-Tetramethyl-4,5-dihydro-3a,5a-diazapyrene ditriflate","Acta Crystallographica Section E","2006","62","10","o4335","o4336","10.1107/S1600536806035379","","","0.71073","MoKα","","0.057","0.0471","","","0.1256","0.1311","","","","","","1.078","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210701","16.1754","0.0012","13.625","0.0013","16.2839","0.0012","90","","114.358","0.005","90","","3269.4","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1-(2,6-Dichlorobenzoyl)-3-[(3-trifluoromethyl)phenyl]thiourea","1-(2,6-Dichlorobenzoyl)-3-[(3-trifluoromethyl)phenyl]thiourea","","- C15 H9 Cl2 F3 N2 O S -","- C15 H9 Cl2 F3 N2 O S -","- C120 H72 Cl16 F24 N16 O8 S8 -","8","2","LH2169","Rauf, M. Khawar; Badshah, Amin; Bolte, Michael","1-(2,6-Dichlorobenzoyl)-3-[(3-trifluoromethyl)phenyl]thiourea","Acta Crystallographica Section E","2006","62","10","o4299","o4301","10.1107/S1600536806035185","","","0.71073","MoKα","","0.0888","0.0674","","","0.1494","0.1551","","","","","","1.19","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210702","6.457","0.005","9.741","0.005","10.384","0.005","79.959","0.005","89.571","0.005","71.133","0.005","607.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Poly [[tetraaquadi-μ~4~-succinato-μ~5~- succinato-diyterbium (III)] hexahydrate]","Poly[[tetraaquadi-μ~4~-succinato-μ~5~- succinato-diyterbium (III)] hexahydrate]","","- C6 H16 O11 Yb -","- C6 H16 O11 Yb -","- C12 H32 O22 Yb2 -","2","1","LH2170","Rahahlia, N.; Alioune, K.; Guehria-Laidoudi, A.; Dahaoui, S.; Lecomte, C.","Poly[[tetraaquadi-μ~4~-succinato-μ~5~-succinato-diytterbium(III)] hexahydrate]","Acta Crystallographica Section E","2006","62","10","m2543","m2545","10.1107/S1600536806036002","","","0.71069","MoKα","","0.0278","0.0242","","","0.0624","0.0654","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210703","9.2545","0.0007","14.7627","0.0013","15.2767","0.0012","72.823","0.007","78.217","0.006","76.792","0.007","1920.2","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2-Hydroxy-3,5-diisopropylbenzoic acid","","- C13 H18 O3 -","- C13 H18 O3 -","- C78 H108 O18 -","6","3","LH2171","Yathirajan, H. S.; Narayana, B.; Prathap, M.; Bindya, S; Bolte, Michael","2-Hydroxy-3,5-diisopropylbenzoic acid","Acta Crystallographica Section E","2006","62","10","o4255","o4257","10.1107/S1600536806034544","","","0.71073","MoKα","","0.0651","0.0496","","","0.1277","0.1357","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210704","10.09","0.004","7.888","0.003","11.591","0.004","90","","104.734","0.006","90","","892.2","0.6","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2-hydroxyethyl)isoindoline-1,3-dione","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","LH2172","Liang, Zu-Pei; Li, Jian","2-(2-Hydroxyethyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2006","62","10","o4450","o4451","10.1107/S1600536806035367","","","0.71073","MoKα","","0.0875","0.0426","","","0.094","0.1121","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210705","8.061","0.005","22.874","0.014","15.653","0.009","90","","97.35","0.012","90","","2862","3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium dichloro[N,N'-(4,5-dichloro-o-phenylene)bis(pyridine-2- carboxamidato)]chromiun(III)","","- C26 H30 Cl4 Cr N5 O2 -","- C26 H30 Cl4 Cr N5 O2 -","- C104 H120 Cl16 Cr4 N20 O8 -","4","1","LH2174","Choi, Yun Wee; Kim, Shin Han; Lee, Do Nam; Kim, Cheal; Kim, Youngmee","Tetraethylammonium dichloro[<i>N</i>,<i>N</i>'-(4,5-dichloro-1,2-phenylene)bis(pyridine-2-carboxamidato)]chromate(III)","Acta Crystallographica Section E","2006","62","10","m2715","m2716","10.1107/S1600536806037111","","","0.71073","MoKα","","0.1381","0.0544","","","0.1073","0.1251","","","","","","0.818","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210706","27.7541","0.0004","34.1948","0.0004","5.6487","0.0001","90","","90","","90","","5360.88","0.14","100","0.1","297","2","","","","","","","","3","F d d 2","F 2 -2d","43","","3,4-Dimethoxychalcone","","- C17 H16 O3 -","- C17 H16 O3 -","- C272 H256 O48 -","16","1","LH2175","Venkataraya Shettigar; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; P. S. Patil; S. M. Dharmaprakash","3,4-Dimethoxychalcone","Acta Crystallographica Section E","2006","62","10","o4646","o4647","10.1107/S1600536806036920","","","0.71073","MoKα","","0.0435","0.0392","","","0.0999","0.1033","","","","","","1.082","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210707","5.7697","0.0007","14.545","0.002","24.681","0.003","90","","90","","90","","2071.2","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(2-chlorophenyl)-1,5-bis(4-nitrophenyl)pentane-1,5-dione","","- C23 H17 Cl N2 O6 -","- C23 H17 Cl N2 O6 -","- C92 H68 Cl4 N8 O24 -","4","1","LH2177","Qiu, Xiao-Yang; Ma, Ji-Long; Liu, Wei-Sheng","3-(2-Chlorophenyl)-1,5-bis(4-nitrophenyl)pentane-1,5-dione","Acta Crystallographica Section E","2006","62","10","o4565","o4566","10.1107/S1600536806037512","","","0.71073","MoKα","","0.0719","0.0439","","","0.1","0.1152","","","","","","0.989","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210708","13.7388","0.0004","33.5802","0.0008","5.9538","0.0002","90","","90","","90","","2746.8","0.14","120","2","120","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","3-[4-(Methylsulfanyl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one","","- C16 H13 N O3 S -","- C16 H13 N O3 S -","- C128 H104 N8 O24 S8 -","8","","LH2179","Harrison, William T. A.; Yathirajan, H. S.; Mithun, A.; Narayana, B.; Sarojini, B. K.","3-[4-(Methylsulfanyl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","10","o4508","o4509","10.1107/S160053680603710X","","","0.71073","MoKα","","0.0429","0.035","","","0.0778","0.0811","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210709","8.2104","0.0015","10.3092","0.0019","23.771","0.005","90","","90","","90","","2012","0.7","113","2","113","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","(S,S)-N,N'-Bis(2-hydroxy-2-butyl)ethylenediammonium oxalate pentahydrate","","- C12 H36 N2 O11 -","- C12 H36 N2 O11 -","- C48 H144 N8 O44 -","4","0.5","LH2181","Bai, Guo-Yi; Ning, Hui-Sen; Simpson, Jim; Qin, Xin-Ying; Li, Na","(<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-Bis(2-hydroxy-2-butyl)ethylenediammonium oxalate pentahydrate","Acta Crystallographica Section E","2006","62","10","o4567","o4568","10.1107/S1600536806037652","","","0.7107","MoKα","","0.0306","0.0291","","","0.0702","0.0712","","","","","","1.056","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210710","14.1328","0.0012","16.011","0.0014","16.8357","0.0014","90","","111.774","0.001","90","","3537.8","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(hippurato)bis(1,10-phenanthroline)manganese(II) perchlorate trihydrate","","- C33 H32 Cl Mn N5 O11 -","- C33 H32 Cl Mn N5 O11 -","- C132 H128 Cl4 Mn4 N20 O44 -","4","1","LH2182","Gui-Quan Guo; Fu-Ping Chen; Xian-Wen Wang; Bo Hu; Jing-Zhong Chen","Aqua(hippurato)bis(1,10-phenanthroline)manganese(II) perchlorate trihydrate","Acta Crystallographica Section E","2006","62","10","m2706","m2708","10.1107/S1600536806038177","","","0.71073","MoKα","","0.1093","0.0493","","","0.1157","0.1423","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210711","14.9168","0.0017","9.8014","0.0011","14.3344","0.0016","90","","102.283","0.001","90","","2047.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(Carboxymethyl)-1,3-benzimidazol-3-ium-3-acetate","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C88 H80 N16 O32 -","8","1","LH2183","Ding-Ben Chen; Ling Huang","1-(Carboxymethyl)-1,3-benzimidazol-3-ium-3-acetate","Acta Crystallographica Section E","2006","62","10","o4686","o4688","10.1107/S1600536806038335","","","0.71073","MoKα","","0.0491","0.0375","","","0.0953","0.1035","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210712","6.9085","0.0019","9.179","0.003","14.186","0.004","90.096","0.004","97.446","0.004","94.164","0.004","889.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Allyl-4-aminopyridinium bromide","","- C8 H11 Br N2 -","- C8 H11 Br N2 -","- C32 H44 Br4 N8 -","4","2","LH2184","Seethalakshmi, T.; Venkatesan, P.; Butcher, Ray J.; Nallu, M.; Kaliannan, P.","1-Allyl-4-aminopyridinium bromide","Acta Crystallographica Section E","2006","62","10","o4730","o4731","10.1107/S160053680603875X","","","0.71073","MoKα","","0.0881","0.0642","","","0.1534","0.1637","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210713","5.6894","0.0012","8.3041","0.0019","13.959","0.003","97.29","0.03","92.52","0.02","90.1","0.03","653.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(E)-3-(1,3-Benzodioxol-4-yl)-2-(4-fluorophenyl)acrylic acid","","- C16 H11 F O4 -","- C16 H11 F O4 -","- C32 H22 F2 O8 -","2","1","LH2185","Hussain, Mukhtiar; Ali, Saqib; Tahira, Zahur; Hanif, Muhammad; Stoeckli-Evans, Helen","(<i>E</i>)-3-(1,3-Benzodioxol-4-yl)-2-(4-fluorophenyl)acrylic acid","Acta Crystallographica Section E","2006","62","10","o4618","o4620","10.1107/S1600536806038189","","","0.71073","MoKα","","0.0929","0.0437","","","0.1048","0.1216","","","","","","0.856","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210714","4.5087","0.0008","18.886","0.003","16.825","0.003","90","","91.896","0.003","90","","1431.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzimidazolium chloranilate monohydrate","","- C13 H10 Cl2 N2 O5 -","- C13 H10 Cl2 N2 O5 -","- C52 H40 Cl8 N8 O20 -","4","1","LH2186","Yang, De-Jun; Qu, Shao-hua","Benzimidazolium chloranilate monohydrate","Acta Crystallographica Section E","2006","62","10","o4720","o4722","10.1107/S1600536806038736","","","0.71073","Mokα","","0.0915","0.0601","","","0.128","0.1415","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210715","11.2465","0.0001","11.4857","0.0002","21.9861","0.0003","90","","101.105","0.001","90","","2786.85","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[1,3-dihydroxy-2-hydroxymethyl-2-(5-nitrosalicylidimino)propane- κ^3^N,O,O']nickel(II) pyridine solvate","","- C27 H31 N5 Ni O12 -","- C27 H31 N5 Ni O12 -","- C108 H124 N20 Ni4 O48 -","4","1","LH2188","Ali, Hapipah M.; Puvaneswary, Subramaniam; Ng, Seik Weng","Bis[1,3-dihydroxy-2-hydroxymethyl-2-(5-nitro-2-oxidobenzylideneamino)propane-κ^3^<i>N</i>,<i>O</i>,<i>O</i>']nickel(II) pyridine solvate","Acta Crystallographica Section E","2006","62","10","m2739","m2740","10.1107/S1600536806038694","","","0.71073","MoKα","","0.035","0.032","","","0.088","0.097","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210716","11.3298","0.0002","11.4928","0.0002","22.045","0.0003","90","","101.348","0.001","90","","2814.39","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[1,3-dihydroxy-2-hydroxymethyl-2-(5-nitrosalicylidimino)propane- κ^3^N,O,O']zinc(II) pyridine solvate","","- C27 H31 N5 O12 Zn -","- C27 H31 N5 O12 Zn -","- C108 H124 N20 O48 Zn4 -","4","1","LH2189","Ali, Hapipah M.; Puvaneswary, Subramaniam; Ng, Seik Weng","Bis[1,3-dihydroxy-2-hydroxymethyl-2-(5-nitro-2-oxidobenzylideneamino)propane-κ^3^<i>N</i>,<i>O</i>,<i>O</i>']zinc(II) pyridine solvate","Acta Crystallographica Section E","2006","62","10","m2737","m2738","10.1107/S1600536806038700","","","0.71073","MoKα","","0.037","0.028","","","0.075","0.089","","","","","","1.1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210717","11.1164","0.0002","11.5298","0.0002","21.1733","0.0003","90","","106.39","0.001","90","","2603.5","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,3-dihydroxy-2-hydroxymethyl-2-(salicylidimino)propane- κ^3^N,O,O']nickel(II) pyridine solvate","","- C27 H33 N3 Ni O8 -","- C27 H33 N3 Ni O8 -","- C108 H132 N12 Ni4 O32 -","4","1","LH2190","Ali, Hapipah M.; Puvaneswary, Subramaniam; Ng, Seik Weng","Bis[1,3-dihydroxy-2-hydroxymethyl-2-(2-oxidobenzylideneamino)propane-κ^3^<i>N</i>,<i>O</i>,<i>O</i>']nickel(II) pyridine solvate","Acta Crystallographica Section E","2006","62","10","m2741","m2742","10.1107/S1600536806038712","","","0.71073","MoKα","","0.056","0.035","","","0.086","0.108","","","","","","1.12","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210718","12.094","0.001","14.889","0.002","15.287","0.002","90","","96.743","0.009","90","","2733.7","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-(2-Acetylcyclopentanonato-κ^2^O,O')bis(2-pyridyl-κN-phenyl)iridium(III) dichloromethane solvate","","- C30 H27 Cl2 Ir N2 O2 -","- C30 H27 Cl2 Ir N2 O2 -","- C120 H108 Cl8 Ir4 N8 O8 -","4","0.5","NG2054","Kim, Tae-Jeong; Lee, Uk","<i>cis</i>-(2-Acetylcyclopentanonato-κ^2^<i>O</i>,<i>O</i>')bis(2-pyridylphenyl-κ<i>N</i>)iridium(III) dichloromethane solvate","Acta Crystallographica Section E","2006","62","10","m2403","m2405","10.1107/S1600536806030017","","","0.71069","MoKα","","0.0345","0.0283","","","0.0633","0.0673","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2210719","10.071","0.002","11.84","0.002","14.3","0.003","111.02","0.03","96.58","0.03","101.56","0.03","1526.6","0.7","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(μ-4-chlorobenzoato)bis[(4-chlorobenzoato)(1,10- phenanthroline)dysprosium(III)]","","- C66 H40 Cl6 Dy2 N4 O12 -","- C66 H40 Cl6 Dy2 N4 O12 -","- C66 H40 Cl6 Dy2 N4 O12 -","1","0.5","NG2068","Bi-Song Zhang","Tetrakis(μ-4-chlorobenzoato)bis[(4-chlorobenzoato)(1,10-phenanthroline)dysprosium(III)]","Acta Crystallographica Section E","2006","62","10","m2645","m2647","10.1107/S1600536806036725","","","0.71073","MoKα","","0.0724","0.0466","","","0.0722","0.0805","","","","","","1.077","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210720","12.26","0.02","12.26","0.02","31.65","0.04","90","","90","","90","","4757","13","123","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","cyclo-Tetrakis[4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-olato- κN^1^:κ^2^N^4^,O^3^]tetrakis[chloropalladium(II)] nonahydrate","","- C32 H62 Cl4 N8 O17 Pd4 -","- C32 H62 Cl4 N8 O17 Pd4 -","- C128 H248 Cl16 N32 O68 Pd16 -","4","0.25","NG2082","Odoko, Mamiko; Nishikawa, Naoki; Okabe, Nobuo","<i>cyclo</i>-Tetrakis[4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-olato-κ<i>N</i>^1^:κ^2^<i>N</i>^4^,<i>O</i>^3^]tetrakis[chloropalladium(II)] nonahydrate","Acta Crystallographica Section E","2006","62","10","m2419","m2421","10.1107/S1600536806034623","","","0.7107","MoKα","","","0.0666","","","","0.2257","","","","","","1.126","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210721","7.1238","0.0006","10.6609","0.001","14.9894","0.0013","92.919","0.004","91.266","0.004","97.159","0.004","1127.58","0.17","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-chloro-bis{[N,N-bis(2-pyridylmethyl)glycine-κ^4^N,N',N'',O]copper(II)] diperchlorate acetonitrile tetrasolvate","","- C18 H21 Cl2 Cu N5 O6 -","- C18 H21 Cl2 Cu N5 O6 -","- C36 H42 Cl4 Cu2 N10 O12 -","2","1","NG2083","Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D.","Di-μ-chloro-bis{[<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)glycine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>]copper(II)] diperchlorate acetonitrile tetrasolvate","Acta Crystallographica, Section E","2006","62","10","m2453","m2454","10.1107/S1600536806034003","","","0.71073","MoKα","","0.1316","0.0728","","","0.1828","0.1908","","","","","","1.011","","","","has coordinates","197043","2020-10-21","18:00:00",""
"2210722","6.5565","0.0001","9.9647","0.0002","12.4108","0.0002","73.882","0.001","81.473","0.001","74.058","0.001","746.73","0.02","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-aqua-bis{aqua[N,N'-bis(furan-2-ylmethylene)hydrazine- κ^2^N,O](perchlorato-κO)sodium}","","- C20 H24 Cl2 N4 Na2 O16 -","- C20 H24 Cl2 N4 Na2 O16 -","- C20 H24 Cl2 N4 Na2 O16 -","1","0.5","NG2084","Bai, Yan; Pan Xiao-Jing; Dang, Dong-Bin; Wang, Jing-Ping","Di-μ-aqua-bis{aqua[<i>N</i>,<i>N</i>'-bis(furan-2-ylmethylene)hydrazine-κ^2^<i>N</i>,<i>O</i>](perchlorato-κ<i>O</i>)sodium}","Acta Crystallographica Section E","2006","62","10","m2400","m2402","10.1107/S1600536806034167","","","0.71073","MoKα","","0.0434","0.0408","","","0.1173","0.1197","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210723","19.0405","0.0007","17.1308","0.0007","20.5597","0.0008","90","","90","","90","","6706.1","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(guanidinium) tris(pyridine-2,6-dicarboxylato-κ^3^O,N,O)cerate(III) trihydrate","","- C24 H33 Ce N12 O15 -","- C24 H33 Ce N12 O15 -","- C192 H264 Ce8 N96 O120 -","8","1","NG2085","Aghabozorg, Hossein; Mohammad Panah, Fahimeh; Sadr-khanlou, Elahe","Tris(guanidinium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>)cerate(III) trihydrate","Acta Crystallographica Section E","2006","62","10","m2509","m2511","10.1107/S1600536806034428","","","0.71073","MoKα","","0.0727","0.039","","","0.0785","0.0868","","","","","","1.048","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210724","7.383","0.0015","11.402","0.0019","13.375","0.0015","112.31","0.017","94.39","0.018","108.06","0.02","965.9","0.4","295","","295","","","","","","","","","5","P -1","-P 1","2","","1,1'-[1,1'-(Pentane-1,5-diyldicarbonyl)bis(5-methyl-1H-pyrazol-3-yl)]ferrocene","","- C23 H22 Fe N4 O2 -","- C23 H22 Fe N4 O2 -","- C46 H44 Fe2 N8 O4 -","2","1","NG2090","Yao-Cheng Shi; Bei-Bei Zhu; Chun-Xia Sui","1,1'-[1,1'-(Pentane-1,5-diyldicarbonyl)bis(5-methyl-1<i>H</i>-pyrazol-3-yl)]ferrocene","Acta Crystallographica Section E","2006","62","10","m2461","m2463","10.1107/S1600536806035240","","","0.71073","MoKα","","0.0782","0.0502","","","0.0967","0.1083","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210725","14.724","0.003","8.8631","0.0018","17.464","0.004","90","","114.71","0.03","90","","2070.4","0.9","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(N,N-diethyldithiocarbamato-κ^2^S,S')(3,5-dimethylpyrazolato-κN)zinc(II)","","- C15 H28 N4 S4 Zn -","- C15 H28 N4 S4 Zn -","- C60 H112 N16 S16 Zn4 -","4","1","NG2094","Chen, Yang; Li, Hong-Xi; Tang, Xiao-Yan; Liu, Cheng-Wu; Lang, Jian-Ping","Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(3,5-dimethylpyrazolato-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2006","62","10","m2564","m2566","10.1107/S1600536806035835","","","0.71073","MoKα","","0.0434","0.0366","","","0.0759","0.0789","","","","","","1.082","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210726","22.321","0.005","47.887","0.01","15.392","0.003","90","","90","","90","","16452","6","298","2","298","2","","","","","","","","7","F d d 2","F 2 -2d","43","","μ-3,3'-Bisacetylacetonato-bis[(1,10-phenanthroline)palladium(II)] hexafluorophosphate acetonitrile solvate","","- C36 H31 F12 N5 O4 P2 Pd2 -","- C36 H31 F12 N5 O4 P2 Pd2 -","- C576 H496 F192 N80 O64 P32 Pd32 -","16","1","NG2095","Guang-Quan Mei; Ke-Long Huang; Hai-Ping Huang","μ-3,3'-Bisacetylacetonato-bis[(1,10-phenanthroline)palladium(II)] bis(hexafluorophosphate) acetonitrile solvate","Acta Crystallographica Section E","2006","62","10","m2743","m2744","10.1107/S1600536806039092","","","0.71073","MoKα","","0.0551","0.0497","","","0.1462","0.1531","","","","","","1.018","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210727","18.519","0.004","11.879","0.003","12.84","0.003","90","","119.121","0.004","90","","2467.6","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,10-phenanthroline-κ^2^N,N')(sulfato-κ^2^O,O')zinc(II) 1,2-ethenediol solvate","","- C26 H22 N4 O6 S Zn -","- C26 H22 N4 O6 S Zn -","- C104 H88 N16 O24 S4 Zn4 -","4","0.5","NG2096","Yi-Min Zhu; Kai-Long Zhong; Wen-Jie Lu","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')zinc(II) 1,2-ethenediol solvate","Acta Crystallographica Section E","2006","62","10","m2725","m2726","10.1107/S1600536806038591","","","0.71073","MoKα","","0.0506","0.0375","","","0.099","0.1088","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210728","12.347","0.004","13.408","0.006","13.578","0.006","118.829","0.014","90.106","0.014","116.327","0.013","1697.1","1.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Aqua(2,4-dihydroxybenzoato-κO^1^)bis(1,10-phenanthroline-κ^2^N,N')nickel(II) 2,4-dihydroxybenzoate monohydrate","","- C38 H30 N4 Ni O10 -","- C38 H30 N4 Ni O10 -","- C76 H60 N8 Ni2 O20 -","2","1","NG2097","Qian Yang; Li Zhang; Duan-Jun Xu","Aqua(2,4-dihydroxybenzoato-κ<i>O</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) 2,4-dihydroxybenzoate monohydrate","Acta Crystallographica Section E","2006","62","10","m2678","m2680","10.1107/S160053680603772X","","","0.71073","MoKα","","0.051","0.038","","","0.092","0.097","","","","","","1.07","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210729","10.861","0.0005","10.6329","0.0004","12.5227","0.0006","90","","93.302","0.002","90","","1443.77","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-Bis(ethylenediamine)bis(sulfadiazinato)copper(II)","trans-Bis(ethylenediamine)bis(sulfadiazinato)copper(II)","","- C24 H34 Cu N12 O4 S2 -","- C24 H34 Cu N12 O4 S2 -","- C48 H68 Cu2 N24 O8 S4 -","2","0.5","NG2098","G. M. Golzar Hossain; Afroza Banu; A. J. Amoroso","<i>trans</i>-Bis(ethylenediamine)bis(sulfadiazinato)copper(II)","Acta Crystallographica Section E","2006","62","10","m2727","m2729","10.1107/S1600536806038797","","","0.71073","MoKα","","0.0808","0.0547","","","0.1293","0.1443","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210730","9.1585","0.0003","30.6703","0.0012","11.6407","0.0004","90","","110.808","0.001","90","","3056.53","0.19","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyridyl-κ^2^N,N')bis(O,O'-diisopropyl dithiophosphato-κ^2^S,S')nickel(II)","","- C22 H36 N2 Ni O4 P2 S4 -","- C22 H36 N2 Ni O4 P2 S4 -","- C88 H144 N8 Ni4 O16 P8 S16 -","4","1","NG2099","Berdugo, Erick; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section E","2006","62","10","m2693","m2694","10.1107/S1600536806037913","","","0.71069","MoKα","","0.062","0.043","","","0.115","0.133","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210731","23.383","0.003","9.082","0.002","10.929","0.002","90","","90","","90","","2320.9","0.7","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-Poly[[[(4-aminobenzoato-κN)aqua(2,2'-diamino-4,4'-bithiazole-κ^2^N,N')- nickel(II)]-μ-4-aminobenzoato-κ^2^N:O] monohydrate]","","- C20 H22 N6 Ni O6 S2 -","- C20 H22 N6 Ni O6 S2 -","- C80 H88 N24 Ni4 O24 S8 -","4","1","NG2101","Bing-Xin Liu; Duan-Jun Xu","<i>catena</i>-Poly[[[(4-aminobenzoato-κ<i>N</i>)aqua(2,2'-diamino-4,4'-bithiazole-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-4-aminobenzoato-κ^2^<i>N</i>:<i>O</i>] monohydrate]","Acta Crystallographica Section E","2006","62","10","m2670","m2672","10.1107/S1600536806037925","","","0.71073","MoKα","","0.129","0.059","","","0.152","0.217","","","","","","1.147","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210732","18.621","0.005","10.254","0.005","23.481","0.005","90","","105.456","0.005","90","","4321","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Di-μ~2~-acetato-bis[(tri-p-tolylphosphine)silver(I)]","","- C46 H48 Ag2 O4 P2 -","- C46 H48 Ag2 O4 P2 -","- C184 H192 Ag8 O16 P8 -","4","1","NG2103","Meijboom, Reinout","Di-μ-acetato-bis[(tri-<i>p</i>-tolylphosphine)silver(I)]","Acta Crystallographica Section E","2006","62","10","m2698","m2700","10.1107/S1600536806037846","","","0.71069","MoKα","","","0.0453","","","","0.1264","","","","","","1.003","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210733","10.6079","0.0002","40.5916","0.0002","14.8774","0.0002","90","","90","","90","","6406.08","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[7,16-Bis(benzyloxycarbonyl)-6,18,15,17- tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato-κ^4^N]nickel(II)","","- C38 H34 N4 Ni O4 -","- C38 H34 N4 Ni O4 -","- C304 H272 N32 Ni8 O32 -","8","1","NG2105","Boyd, Peter D.W.; Challis, J.B.; Rickard, C.E.F.","[7,16-Bis(benzyloxycarbonyl)-6,18,15,17-tetramethyldibenzo[<i>b</i>,<i>i</i>][1,4,8,11]tetraazacyclotetradecinato-κ^4^<i>N</i>]nickel(II)","Acta Crystallographica Section E","2006","62","10","m2732","m2734","10.1107/S1600536806038803","","","0.71073","MoKα","","0.0477","0.0373","","","0.0935","0.1037","","","","","","0.847","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210734","7.1301","0.0004","7.4212","0.0003","12.5334","0.0006","89.291","0.009","82.863","0.011","84.845","0.01","655.39","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Carboxypyridinium ammonium sulfate sulfamic acid solvate","","- C6 H13 N3 O9 S2 -","- C6 H13 N3 O9 S2 -","- C12 H26 N6 O18 S4 -","2","1","OB2048","S. Athimoolam; S. Natarajan","3-Carboxypyridinium ammonium sulfate sulfamic acid solvate","Acta Crystallographica Section E","2006","62","10","o4219","o4221","10.1107/S1600536806034155","","","0.71073","MoKα","","0.0519","0.0462","","","0.131","0.1371","","","","","","1.094","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210735","8.902","0.0018","16.916","0.003","8.325","0.0017","90","","91.72","0.03","90","","1253.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexakis(imidazole-κN^3^)cobalt(II) diformate","","- C20 H26 Co N12 O4 -","- C20 H26 Co N12 O4 -","- C40 H52 Co2 N24 O8 -","2","0.5","OB2051","Lin, Jian-Li; Fei, Song-Ting; Lei, Ke-Wei; Zheng, Yue-Qing","Hexakis(imidazole-κ<i>N</i>^3^)cobalt(II) diformate","Acta Crystallographica Section E","2006","62","10","m2439","m2441","10.1107/S1600536806034337","","","0.71073","MoKα","","0.0595","0.0401","","","0.0922","0.1013","","","","","","1.026","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210736","9.998","0.002","10.94","0.002","12.577","0.003","98.06","0.03","97.67","0.03","90.72","0.03","1349.2","0.5","298","","298","2","","","","","","","","4","P -1","-P 1","2","","4,6-Dibenzoylisophthalic acid N,N-dimethylformamide disolvate","","- C28 H28 N2 O8 -","- C28 H28 N2 O8 -","- C56 H56 N4 O16 -","2","1","OB2052","Shan Liu; Zhan-Mei Cao; Dan-Dan Wang; Hong-Jun Zhu","4,6-Dibenzoylisophthalic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2006","62","10","o4231","o4232","10.1107/S1600536806034349","","","0.71073","MoKα","","0.1224","0.0793","","","0.1724","0.1928","","","","","","0.97","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210737","20.955","0.008","5.795","0.003","14.611","0.007","90","","129.07","0.03","90","","1377.5","1.3","297","2","297","2","","","","","","","","5","C 1 2 1","C 2y","5","","(R)-4-bromo-2-[(1-phenylethyl)iminomethyl]phenol","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C60 H56 Br4 N4 O4 -","4","1","OB2054","Akitsu, Takashiro; Einaga, Yasuaki","A chiral photochromic Schiff base: (<i>R</i>)-4-bromo-2-[(1-phenylethyl)iminomethyl]phenol","Acta Crystallographica Section E","2006","62","10","o4315","o4317","10.1107/S1600536806034891","","","0.71073","MoKα","","0.0608","0.0456","","","0.1176","0.1281","","","","","","1.085","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210738","7.1514","0.0002","7.5805","0.0002","10.3268","0.0003","87.8186","0.0014","89.5131","0.0014","89.2959","0.0013","559.36","0.03","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","N-(3-chloro-2-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C26 H22 Cl2 N4 O4 -","2","1","OB2055","Long, Sihui; Siegler, Maxime; Li, Tonglei","<i>N</i>-(3-Chloro-2-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","Acta Crystallographica Section E","2006","62","10","o4278","o4279","10.1107/S160053680603488X","","","0.71073","MoKα","","0.0773","0.0446","","","0.1009","0.1123","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210739","7.316","0.0015","8.171","0.0016","13.051","0.003","90","","95.14","0.03","90","","777","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~3~-5-bromosalicylato)silver(I)]","","- C7 H4 Ag Br O3 -","- C7 H4 Ag Br O3 -","- C28 H16 Ag4 Br4 O12 -","4","1","OB2056","Cheng, Kui; Liu, Hua-Li","Poly[(μ~3~-5-bromosalicylato)silver(I)]","Acta Crystallographica Section E","2006","62","10","m2549","m2551","10.1107/S1600536806036397","","","0.71073","MoKα","","0.0227","0.0213","","","0.0499","0.0504","","","","","","1.082","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210740","6.9055","0.0019","18.483","0.005","10.028","0.003","90","","93.871","0.005","90","","1277","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(4-Chlorobenzoyl)-N',N'-diethylthiourea","","- C12 H15 Cl N2 O S -","- C12 H15 Cl N2 O S -","- C48 H60 Cl4 N8 O4 S4 -","4","1","OB2057","Jean M. McKenzie; Klaus R. Koch","<i>N</i>-(4-Chlorobenzoyl)-<i>N</i>',<i>N</i>'-diethylthiourea","Acta Crystallographica Section E","2006","62","10","o4263","o4264","10.1107/S1600536806034325","","","0.71073","MoKα","","0.0613","0.0471","","","0.105","0.111","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210741","7.353","0.002","8.328","0.002","11.832","0.003","97.706","0.017","105.859","0.017","109.493","0.017","636.4","0.3","93.1","","","","","","","","","","","5","P -1","-P 1","2","","5,12-Dihydroquino[2,3-b]acridine-7,14-dithione dimethylacetamide disolvate","","- C28 H30 N4 O2 S2 -","- C28 H30 N4 O2 S2 -","- C28 H30 N4 O2 S2 -","1","0.5","OB2058","Senju, Takatoshi; Hoki, Tomonori; Mizuguchi, Jin","5,12-Dihydroquino[2,3-<i>b</i>]acridine-7,14-dithione dimethylacetamide disolvate","Acta Crystallographica Section E","2006","62","10","o4240","o4242","10.1107/S1600536806034350","","","1.5418","CuKα","","","0.0719","","","","0.2018","","","","","","1.126","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210742","16.129","0.005","4.02","0.005","20.676","0.006","90","","105.18","0.02","90","","1293.8","1.7","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-(1,4-dioxopyrrolo[3,4-c]pyrrole-3,6-diyl)dibenzonitrile dimethylacetamide disolvate","","- C28 H28 N6 O4 -","- C28 H28 N6 O4 -","- C56 H56 N12 O8 -","2","0.5","OB2060","Mizuguchi, Jin; Arai, Ayako","3,3'-(1,4-Dioxopyrrolo[3,4-<i>c</i>]pyrrole-3,6-diyl)dibenzonitrile dimethylacetamide disolvate","Acta Crystallographica Section E","2006","62","10","o4382","o4384","10.1107/S1600536806035677","","","0.71069","MoKα","","","0.1094","","","","0.3471","","","","","","1.136","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210743","17.0582","0.0018","16.9636","0.0018","13.3243","0.0014","90","","111.352","0.002","90","","3591","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[μ-Bis(pyridine-2-carbaldehyde) (ferrocene-1,1'- diyldicarbonyl)dihydrazonato]bis[dichloro(dimethylformamide)dicadmium(II)]","","- C30 H34 Cd2 Cl4 Fe N8 O4 -","- C30 H34 Cd2 Cl4 Fe N8 O4 -","- C120 H136 Cd8 Cl16 Fe4 N32 O16 -","4","0.5","OB2062","Li, Ming-Xue; Yan, Lin; Wang, Jing-Ping; Zhou, Jing","[μ-Bis(pyridine-2-carbaldehyde) (ferrocene-1,1'-diyldicarbonyl)dihydrazonato]bis[dichloro(dimethylformamide)cadmium(II)]","Acta Crystallographica Section E","2006","62","10","m2517","m2518","10.1107/S1600536806035665","","","0.71073","MoKα","","0.0631","0.0401","","","0.0696","0.0725","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210744","21.226","0.004","8.362","0.002","22.497","0.004","90","","113.085","0.004","90","","3673.3","1.3","290","2","290","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(2-{[(2E)-2-(2-hydroxybenzylidene)hydrazino]carbonyl}phenyl)benzamide","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C168 H136 N24 O24 -","8","1","OB2063","Shashidhar; Chopra, Deepak; Shivashankar, S. A.; Guru Row, T. N.","<i>N</i>-(2-{[(2<i>E</i>)-2-(2-Hydroxybenzylidene)hydrazino]carbonyl}phenyl)benzamide","Acta Crystallographica Section E","2006","62","10","o4473","o4475","10.1107/S1600536806036324","","","0.71073","MoKα","","0.1825","0.098","","","0.1345","0.1571","","","","","","1.213","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210745","12.163","0.005","9.002","0.004","11.171","0.005","90","","117.34","0.01","90","","1086.5","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","pyridine‒4-hydroxybenzoic acid (1/1)","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","OB2064","Wei, Lin-Heng","A 1:1 cocrystal of pyridine and 4-hydroxybenzoic acid","Acta Crystallographica Section E","2006","62","10","o4506","o4507","10.1107/S1600536806036944","","","0.71073","MoKα","","0.0699","0.0565","","","0.1543","0.1665","","","","","","1.005","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210746","5.7366","0.0006","3.8851","0.0004","29.88","0.004","90","","95.861","0.008","90","","662.46","0.13","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,7,12,14-Tetrahydro[2,3-b]quinolinoacridine (β form)","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C40 H24 N4 O4 -","2","0.5","OB2065","Nishimura, Naoko; Senju, Takatoshi; Mizuguchi, Jin","5,7,12,14-Tetrahydro[2,3-<i>b</i>]quinolinoacridine (β form)","Acta Crystallographica Section E","2006","62","10","o4683","o4685","10.1107/S1600536806037524","","","1.54187","CuKα","","","0.1602","","","","0.4313","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210747","12.339","0.002","6.594","0.0012","14.908","0.003","90","","101.537","0.012","90","","1188.5","0.4","93","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[29H,31H-Tetrabenzo[b,g,l,q]porphinato(2-)- κ^4^N^21^,N^22^,N^23^,N^24^]copper(II)","","- C36 H20 Cu N4 -","- C36 H20 Cu N4 -","- C72 H40 Cu2 N8 -","2","0.5","OB2067","Aramaki, Shinji; Sakai, Yoshimasa; Yanagisawa, Hiroyuki; Mizuguchi, Jin","[29<i>H</i>,31<i>H</i>-Tetrabenzo[<i>b</i>,<i>g</i>,<i>l</i>,<i>q</i>]porphinato(2‒)-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^]copper(II)","Acta Crystallographica Section E","2006","62","10","m2616","m2617","10.1107/S1600536806036713","","","1.54187","CuKα","","","0.0992","","","","0.2659","","","","","","1.021","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210748","10.829","0.002","10.549","0.003","18.368","0.004","90","","95.122","0.004","90","","2089.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E,2'E)-4,6-Dichloro-1,3-phenylene bis(3-phenylacrylate)","","- C24 H16 Cl2 O4 -","- C24 H16 Cl2 O4 -","- C96 H64 Cl8 O16 -","4","1","OB2068","Wang, Xiao-Bing; Ling-Yi Kong","(2<i>E</i>,2'<i>E</i>)-4,6-Dichloro-1,3-phenylene bis(3-phenylacrylate)","Acta Crystallographica Section E","2006","62","10","o4558","o4559","10.1107/S1600536806037135","","","0.71073","MoKα","","0.1113","0.0502","","","0.126","0.1785","","","","","","1.007","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210749","7.901","0.0016","14.987","0.003","9.74","0.0019","90","","113.2","0.03","90","","1060.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-chloromethyl-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole","","- C9 H5 Cl3 N2 O -","- C9 H5 Cl3 N2 O -","- C36 H20 Cl12 N8 O4 -","4","1","OB2069","Wang, Hai-Bo; Liu, Zhi-Qian; Wang,Hai-Bo; Yan, Xiao-Chen","5-Chloromethyl-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole","Acta Crystallographica Section E","2006","62","10","o4715","o4716","10.1107/S1600536806038785","","","0.71073","MoKα","","0.062","0.0463","","","0.1365","0.1496","","","","","","1.051","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210750","6.7328","0.0002","8.3813","0.0002","9.0571","0.0002","63.779","0.001","72.413","0.001","83.428","0.001","436.96","0.02","100","0.1","297","2","","","","","","","","5","P -1","-P 1","2","","N-(4-Methoxyphenyl)thiourea","","- C8 H10 N2 O S -","- C8 H10 N2 O S -","- C16 H20 N4 O2 S2 -","2","1","OB2070","Jeannie Bee-Jan Teh; Mari Sithambaram Karthikeyan; Hoong-Kun Fun; P. S. Patil; Ibrahim Abdul Razak; Bantwal Shivarama Holla; S. M. Dharmaprakash","<i>N</i>-(4-Methoxyphenyl)thiourea","Acta Crystallographica Section E","2006","62","10","o4693","o4694","10.1107/S1600536806038566","","","0.71073","MoKα","","0.0299","0.0287","","","0.0812","0.0826","","","","","","1.107","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210751","8.0068","0.0006","15.4788","0.0008","7.025","0.0005","90","","114.531","0.006","90","","792.06","0.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2,6-diaminopyridinium) oxalate dihydrate","","- C12 H20 N6 O6 -","- C12 H20 N6 O6 -","- C24 H40 N12 O12 -","2","0.5","OB3017","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Bis(2,6-diaminopyridinium) oxalate dihydrate","Acta Crystallographica Section E","2006","62","10","o4543","o4544","10.1107/S160053680603755X","","","0.71073","MoKα","","0.0355","0.0317","","","0.0856","0.0885","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210752","15.587","0.002","11.1008","0.0013","13.7083","0.0018","90","","108.174","0.01","90","","2253.6","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(2-guanidinobenzimidazole)copper(II) dicyanamide","","- C20 H18 Cu N16 -","- C20 H18 Cu N16 -","- C80 H72 Cu4 N64 -","4","0.5","OB3018","Zheng, Lei; Zhang, Jia; Yu, Ming-Ming; Ni, Zhong-Hai; Kou, Hui-Zhong","Bis(2-guanidinobenzimidazole-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(dicyanamide)","Acta Crystallographica Section E","2006","62","10","m2470","m2472","10.1107/S1600536806035112","","","0.71073","MoKα","","0.0405","0.0369","","","0.1","0.1039","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210753","15.019","0.004","15.056","0.004","16.08","0.004","64.393","0.003","79.436","0.004","65.578","0.003","2985.5","1.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis{trans-4-[(N,N-diethylamino)styryl]-1-methylpyridinium} dodecatungstosilicate tetradecahydrate","","- C72 H120 N8 O54 Si W12 -","- C72 H92 N8 O54 Si W12 -","- C72 H92 N8 O54 Si W12 -","1","0.5","OB3019","Xue-Jie Tan; Dian-Xiang Xing; Yun Liu","Tetrakis{<i>trans</i>-4-[(<i>N</i>,<i>N</i>-diethylamino)styryl]-1-methylpyridinium} dodecatungstosilicate tetradecahydrate","Acta Crystallographica Section E","2006","62","10","m2613","m2615","10.1107/S1600536806036609","","","0.71073","MoKα","","0.121","0.0608","","","0.1374","0.1597","","","","","","0.894","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210754","16.105","0.002","16.105","0.002","14.488","0.003","90","","90","","120","","3254.3","0.9","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Hydronium tris(oxamide dioxime-κ^2^N,N')nickel(II) triiodide","","- C6 H21 I3 N12 Ni O7 -","- C6 H21 I3 N12 Ni O7 -","- C36 H126 I18 N72 Ni6 O42 -","6","0.166667","OM2032","M. Bélombé, Michel; Nenwa, Justin; Kammoe, Astride L.; Poudeu, Pierre F. P.","Hydronium tris(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')nickel(II) triiodide","Acta Crystallographica Section E","2006","62","10","m2583","m2585","10.1107/S160053680603621X","","","0.71073","MoKα","","0.0317","0.0275","","","0.0544","0.0587","","","","","","1.168","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210755","11.3245","0.0011","12.7667","0.0012","14.6079","0.0014","90","","90","","90","","2112","0.3","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(-)-N-[(3S)-3-(4-Fluorophenyl-4-methyl)hexanoyl]bornane-10,2-sultam","","- C22 H30 F N O3 S -","- C22 H30 F N O3 S -","- C88 H120 F4 N4 O12 S4 -","4","1","OM2037","Cao, Xiu-Fang; Yu, Guang-Ao; Liu, Sheng-Hua; Meng, Xiang-Gao","(‒)-<i>N</i>-[(3<i>S</i>)-3-(4-Fluorophenyl-4-methyl)hexanoyl]bornane-10,2-sultam","Acta Crystallographica Section E","2006","62","10","o4458","o4459","10.1107/S1600536806030157","","","0.71073","MoKα","","0.057","0.0523","","","0.1312","0.1351","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210756","9.498","0.002","9.457","0.002","20.205","0.005","90","","90","","90","","1814.9","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-N-(4-nitrophenyl)acetamide","","- C8 H7 Cl N2 O3 -","- C8 H7 Cl N2 O3 -","- C64 H56 Cl8 N16 O24 -","8","1","OM2040","Yong-Hong Wen; Xue-Mei Li; Li-Li Xu; Xiao-Fang Tang; Shu-Sheng Zhang","2-Chloro-<i>N</i>-(4-nitrophenyl)acetamide","Acta Crystallographica Section E","2006","62","10","o4427","o4428","10.1107/S1600536806036221","","","0.71073","MoKα","","0.0567","0.0421","","","0.0988","0.108","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210757","8.1158","0.0008","27.3737","0.0018","5.6775","0.0004","90","","90","","90","","1261.31","0.17","296","","296","","","","","","","","","5","P n a 21","P 2c -2n","33","3-(4-bromoanilino)phthalide","3-(4-bromoanilino)isobenzofuran-1(3H)-one","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C56 H40 Br4 N4 O8 -","4","1","OM2041","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(4-Bromoanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4366","o4367","10.1107/S160053680603563X","","","0.71073","MoKα","","0.0756","0.0352","","","0.0686","0.0794","","","","","","0.917","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210758","8.3786","0.0003","20.3282","0.0008","6.6802","0.0003","90","","110.485","0.002","90","","1065.83","0.08","295","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3-Bis(2-tert-butylphenylimino)butane","","- C24 H32 N2 -","- C24 H32 N2 -","- C48 H64 N4 -","2","0.5","OM2048","Ferreira, Leonardo C.; Filgueiras, Carlos Alberto L.; Hörner, Manfredo; Visentin, Lorenzo do C.; Bordinhao, Jairo","2,3-Bis(2-<i>tert</i>-butylphenylimino)butane","Acta Crystallographica Section E","2006","62","10","o4282","o4284","10.1107/S1600536806032600","","","0.71073","MoKα","","","0.0393","","","","0.1042","","","","","","0.958","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210759","7.6932","0.0013","14.379","0.002","11.5295","0.0016","90","","107.245","0.008","90","","1218.1","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TM-BODIPY","4,4-Difluoro-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene","","- C13 H15 B F2 N2 -","- C13 H15 B F2 N2 -","- C52 H60 B4 F8 N8 -","4","1","OM2050","Bandichhor, Rakeshwar; Thivierge, Cliferson; Bhuvanesh, Nattamai S. P.; Burgess, Kevin","4,4-Difluoro-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-<i>s</i>-indacene","Acta Crystallographica Section E","2006","62","10","o4310","o4311","10.1107/S1600536806032235","","","1.54178","CuKα","","0.0918","0.0471","","","0.1037","0.1188","","","","","","1.059","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210760","5.9734","0.0008","24.911","0.003","9.8107","0.0013","90","","92.709","0.002","90","","1458.2","0.3","298","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[nitratosilver(I)]-μ-2,2'-dithiobis(5-nitropyridine)]","","- C10 H6 Ag N5 O7 S2 -","- C10 H6 Ag N5 O7 S2 -","- C40 H24 Ag4 N20 O28 S8 -","4","1","OM2053","López-Rodríguez, Matías; Brito, Iván; Vargas, Danitza; Cárdenas, Alejandro","<i>catena</i>-Poly[[nitratosilver(I)]-μ-2,2'-dithiobis(5-nitropyridine)]","Acta Crystallographica Section E","2006","62","10","m2690","m2692","10.1107/S1600536806037822","","","0.71073","MoKα","","","0.0517","","","","0.1158","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210761","12.0743","0.0002","8.9473","0.0002","15.0565","0.0003","90","","97.683","0.001","90","","1611.99","0.06","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one‒ 3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one‒ 3-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one (0.893/0.104/0.003)","","- C18.89 H19.66 Cl0.11 O3.89 -","- C18.887 H19.661 Cl0.113 O3.887 -","- C75.548 H78.644 Cl0.452 O15.548 -","4","1","RN2014","Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; P. S. Patil; S. M. Dharmaprakash","The 0.893/0.104/0.003 cocrystal of 1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, 3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one and 3-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","10","o4650","o4652","10.1107/S1600536806037275","","","0.71073","MoKα","","0.0718","0.0464","","","0.1241","0.148","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210762","11.4244","0.0008","7.8195","0.0005","15.934","0.001","90","","99.441","0.001","90","","1404.15","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Bromophenyl)-2-methyl-3-methylsulfanyl-1-benzofuran","","- C16 H13 Br O S -","- C16 H13 Br O S -","- C64 H52 Br4 O4 S4 -","4","1","RZ2062","Choi, Hong Dae; Woo, Hyun Mi; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-(4-Bromophenyl)-2-methyl-3-methylsulfanyl-1-benzofuran","Acta Crystallographica Section E","2006","62","10","o4253","o4254","10.1107/S1600536806034441","","","0.71073","MoKα","","0.0367","0.0285","","","0.0704","0.0732","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210763","9.5987","0.0009","10.2272","0.0009","11.4321","0.001","116.482","0.001","96.928","0.001","97.444","0.001","975.72","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1-(4-methylbenzoyl)ethyl benzoate","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C46 H38 N6 O6 -","2","1","RZ2065","Jun Wan; Zheng-Zhong Peng; Xue-Mei Li; Ping-Kai Ouyang; Shu-Sheng Zhang","2-(1<i>H</i>-1,2,3-Benzotriazol-1-ylmethyl)-1-(4-methylbenzoyl)ethyl benzoate","Acta Crystallographica Section E","2006","62","10","o4410","o4411","10.1107/S160053680603649X","","","0.71073","MoKα","","0.0488","0.0426","","","0.1132","0.1198","","","","","","1.064","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210764","9.2633","0.0003","19.2661","0.0006","16.3624","0.0005","90","","94.8805","0.0011","90","","2909.57","0.16","150","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","monoprotonated [2.2.2]cryptand picrate monohydrate","4,7,13,16,21,24-hexaoxa-1-azonia-10-azabicyclo[8.8.8]hexacosane picrate monohydrate","","- C24 H41 N5 O14 -","- C24 H41 N5 O14 -","- C96 H164 N20 O56 -","4","1","RZ2069","Refat, Moamen S.; Gotoh, Kazuma; Ishida, Hiroyuki","Monoprotonated [2.2.2]cryptand picrate monohydrate","Acta Crystallographica Section E","2006","62","10","o4407","o4409","10.1107/S1600536806036518","","","0.71075","MoKα","","0.1029","0.047","","","0.1004","0.1308","","","","","","1.104","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210765","10.0061","0.0012","11.5146","0.0014","18.602","0.002","90","","90","","90","","2143.3","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S)-2-Benzyl-1-[(4R)-4-benzyl-2,2-dimethyl-1,3-oxazolan-3-yl]pent-4-en-1-one","","- C24 H29 N O2 -","- C24 H29 N O2 -","- C96 H116 N4 O8 -","4","1","RZ2071","K. Ravikumar; B. Sridhar; K. S. Kiran kumar Reddy; G. Sabitha; J. S. Yadav","(2<i>S</i>)-2-Benzyl-1-[(4<i>R</i>)-4-benzyl-2,2-dimethyl-1,3-oxazolan-3-yl]pent-4-en-1-one","Acta Crystallographica Section E","2006","62","10","o4755","o4757","10.1107/S1600536806039389","","","0.71073","MoKα","","0.0444","0.0382","","","0.0958","0.1008","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210766","11.1136","0.0014","18.706","0.002","26.013","0.003","68.951","0.009","79.257","0.009","79.858","0.009","4923.3","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","26,28-Diallyloxy-5,11,17,23-tetra-tert-butyl-25,27- bis(cyanomethoxy)calix[4]arene","","- C54 H66 N2 O4 -","- C54 H66 N2 O4 -","- C216 H264 N8 O16 -","4","2","SF2001","Dordea, Crenguta; Böhmer, Volker; Bolte, Michael","26,28-Diallyloxy-5,11,17,23-tetra-<i>tert</i>-butyl-25,27-bis(cyanomethoxy)calix[4]arene in the partial cone conformation","Acta Crystallographica Section E","2006","62","10","o4765","o4767","10.1107/S160053680603412X","","","0.71073","MoKα","","0.1873","0.0916","","","0.1739","0.1928","","","","","","1.265","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210767","18.4312","0.0002","17.0281","0.0002","18.5444","0.0002","90","","101.193","0.0004","90","","5709.42","0.11","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-(Acetonitrile)bis[1,2-bis(diphenylphosphino)ethane- κ^2^P,P'](phenylethynyl)ruthenium(II) hexafluorophosphate ethanol hemisolvate","","- C63 H59 F6 N O0.5 P5 Ru -","- C63 H56 F6 N O0.5 P5 Ru -","- C252 H224 F24 N4 O2 P20 Ru4 -","4","1","SF2002","Anthony C. Willis; Clem E. Powell; Mark G. Humphrey","<i>trans</i>-(Acetonitrile)bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>'](phenylethynyl)ruthenium(II) hexafluorophosphate ethanol hemisolvate","Acta Crystallographica Section E","2006","62","10","m2473","m2475","10.1107/S1600536806035252","","","0.71073","MoKα","","","0.0506","","","","0.0545","","","","","","1.0026","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210768","6.293","0.0013","19.784","0.004","8.762","0.0018","90","","99.24","0.03","90","","1076.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","calcium imidazolate","catena-Poly[aquacalcium(II)]bis(μ-imidazole-4-carboxylato)- κ^4^N,O:O,O';κ^3^O,O':O']","","- C8 H8 Ca N4 O5 -","- C8 H8 Ca N4 O5 -","- C32 H32 Ca4 N16 O20 -","4","1","SF2003","Wojciech Starosta; Janusz Leciejewicz","<i>catena</i>-Poly[[aquacalcium(II)]bis(μ-1<i>H</i>-imidazole-4-carboxylato)-κ^4^<i>N</i>,<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>']","Acta Crystallographica Section E","2006","62","10","m2648","m2650","10.1107/S1600536806037160","","","0.71073","MoKα","","0.0501","0.0365","","","0.1109","0.1244","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210769","17.5329","0.0013","15.6345","0.0009","7.4723","0.0006","90","","96.932","0.006","90","","2033.3","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1,5-Bis(3-bromothien-2-yl)-3-(3-nitrophenyl)pentane-1,5-dione","","- C19 H13 Br2 N O4 S2 -","- C19 H13 Br2 N O4 S2 -","- C76 H52 Br8 N4 O16 S8 -","4","1","SG2053","Yathirajan, H. S.; Sarojini, B. K.; Ashalatha, B. V; Narayana, B.; Bolte, Michael","1,5-Bis(3-bromo-2-thienyl)-3-(3-nitrophenyl)pentane-1,5-dione","Acta Crystallographica Section E","2006","62","10","o4554","o4555","10.1107/S1600536806036993","","","0.71073","MoKα","","0.0446","0.0423","","","0.1097","0.1119","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210770","18.1501","0.0019","10.3513","0.0007","11.0955","0.001","90","","95.298","0.008","90","","2075.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(2-Bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-amine","","- C9 H8 Br N3 O2 -","- C9 H8 Br N3 O2 -","- C72 H64 Br8 N24 O16 -","8","2","SG2054","Yathirajan, H. S.; Bindya, S.; Ashalatha, B. V.; Narayana, B.; Bolte, Michael","5-(2-Bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-amine","Acta Crystallographica Section E","2006","62","10","o4442","o4443","10.1107/S1600536806035689","","","0.71073","MoKα","","0.0909","0.0733","","","0.2069","0.2201","","","","","","1.046","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210771","3.9155","0.0003","10.6776","0.0008","33.521","0.003","90","","93.164","0.007","90","","1399.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(6-Methoxy-2-naphthyl)-1-(2-thienyl)prop-2-en-1-one","","- C18 H14 O2 S -","- C18 H14 O2 S -","- C72 H56 O8 S4 -","4","1","SG2055","Yathirajan, H. S.; Narayana, B.; Ashalatha, B.; Sarojini, B. K.; Bolte, Michael","3-(6-Methoxy-2-naphthyl)-1-(2-thienyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","10","o4440","o4441","10.1107/S1600536806035690","","","0.71073","MoKα","","0.0421","0.0369","","","0.0993","0.1023","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210772","8.3037","0.0015","8.582","0.0015","8.7191","0.0015","105.911","0.002","97.441","0.002","93.643","0.002","589.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-[(4-Phenyl-1H-1,2,3-triazol-1-yl)methyl]-1,3,4-oxadiazole-2-thione","","- C11 H9 N5 O S -","- C11 H9 N5 O S -","- C22 H18 N10 O2 S2 -","2","1","SG2056","Xiao-Ru Zhang; Min-Hua Xu; Sai Bi; Shu-Sheng Zhang","5-[(4-Phenyl-1<i>H</i>-1,2,3-triazol-1-yl)methyl]-1,3,4-oxadiazole-2-thione","Acta Crystallographica Section E","2006","62","10","o4368","o4369","10.1107/S1600536806035720","","","0.71073","MoKα","","0.0422","0.0387","","","0.1003","0.1034","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210773","14.9271","0.0013","10.9247","0.0013","18.8582","0.0016","90","","90","","90","","3075.3","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(2-Bromo-5-methoxyphenyl)-6-phenyl-1,3-thiazolo[3,2-b][1,2,4]triazole","","- C17 H12 Br N3 O S -","- C17 H12 Br N3 O S -","- C136 H96 Br8 N24 O8 S8 -","8","1","SG2057","Yathirajan, H. S.; Vijaya Raj, K. K.; Narayana, B.; Sarojini, B. K.; Bolte, Michael","2-(2-Bromo-5-methoxyphenyl)-6-phenyl-1,3-thiazolo[3,2-<i>b</i>][1,2,4]triazole","Acta Crystallographica Section E","2006","62","10","o4444","o4445","10.1107/S1600536806035707","","","0.71073","MoKα","","0.0558","0.037","","","0.0812","0.0871","","","","","","0.981","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210774","12.0976","0.0009","6.5816","0.0005","8.8093","0.0006","90","","90","","90","","701.41","0.09","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Thallium lead tetrathiophosphate","","- P Pb S4 Tl -","- P Pb S4 Tl -","- P4 Pb4 S16 Tl4 -","4","0.5","SG2059","Belkyal, Imane; El Azhari, Mohamed; Bensch, Wolfgang; Depmeier, Wulf","TlPbPS~4~","Acta Crystallographica Section E","2006","62","10","i210","i212","10.1107/S1600536806036531","","","0.71073","MoKα","","0.0599","0.046","","","0.1177","0.1252","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210775","5.2652","0.0011","19.641","0.006","9.577","0.0019","90","","96.474","0.007","90","","984.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-N-(4-chloro-2-nitrophenyl)acetamide","","- C8 H6 Cl2 N2 O3 -","- C8 H6 Cl2 N2 O3 -","- C32 H24 Cl8 N8 O12 -","4","1","SG2060","Shu-Sheng Zhang; Li-Li Xu; Jin Zou; Sai Bi; Yong-Hong Wen","2-Chloro-<i>N</i>-(4-chloro-2-nitrophenyl)acetamide","Acta Crystallographica Section E","2006","62","10","o4478","o4479","10.1107/S1600536806036555","","","0.71073","MoKα","","0.0586","0.0429","","","0.0973","0.1064","","","","","","0.984","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210776","7.2421","0.0004","7.6642","0.0004","13.7999","0.0007","74.077","0.001","76.324","0.001","68.212","0.001","676.14","0.06","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","Hexaaquanickel(II) 2-methyl-5-nitrobenzenesulfonate tetrahydrate","","- C14 H32 N2 Ni O20 S2 -","- C14 H32 N2 Ni O20 S2 -","- C14 H32 N2 Ni O20 S2 -","1","0.5","SG2062","Yong-Rong Xie; Yan-Chao Yang; Xiao-Yong Yuan; Rui-Qing Yang","Hexaaquanickel(II) 2-methyl-5-nitrobenzenesulfonate tetrahydrate","Acta Crystallographica Section E","2006","62","10","m2683","m2684","10.1107/S1600536806037445","","","0.71073","MoKα","","0.0305","0.0299","","","0.0857","0.0861","","","","","","1.093","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210777","8.1137","0.001","13.6259","0.001","16.057","0.002","90","","110.993","0.011","90","","1657.4","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hexakis(N-methyl-1H-imidazole-κN^3^)manganese(II) dibromide dihydrate","","- C24 H40 Br2 Mn N12 O2 -","- C24 H40 Br2 Mn N12 O2 -","- C48 H80 Br4 Mn2 N24 O4 -","2","0.5","SG2063","Kooijman, Huub","Hexakis(<i>N</i>-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)manganese(II) dibromide dihydrate","Acta Crystallographica Section E","2006","62","10","m2681","m2682","10.1107/S160053680603741X","","","0.71073","MoKα","","0.028","0.0234","","","0.0583","0.0603","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210778","9.0068","0.0005","9.3944","0.0005","9.6643","0.0006","87.9448","0.0012","75.7679","0.0012","74.9244","0.0012","765.01","0.08","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Carbendazim Besylate","2-(methoxycarbonylamino)benzimidazol-1-ium benzenesulfonate","","- C15 H15 N3 O5 S -","- C15 H15 N3 O5 S -","- C30 H30 N6 O10 S2 -","2","1","SJ2108","Sepassi, Kia; Sanghvi, Tapan; Yalkowsky, Samuel H.","The besylate salt of carbendazim: 2-(methoxycarbonylamino)benzimidazolium benzenesulfonate","Acta Crystallographica Section E","2006","62","10","o4403","o4404","10.1107/S1600536806035537","","","0.71073","MoKα","","0.0509","0.0369","","","0.0902","0.0937","","","","","","0.971","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210779","14.847","0.002","9.548","0.0011","15.473","0.002","90","","90","","90","","2193.4","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(2,2',2''-nitrilotriethanol)cobalt(II) bis(acetate)","","- C16 H36 Co N2 O10 -","- C16 H36 Co N2 O10 -","- C64 H144 Co4 N8 O40 -","4","0.5","SJ2111","Ward, Antony J.; Burger, Matija; Aquino, Cindy; Clegg, Jack K.; Turner, Peter; Masters, Anthony F.; Maschmeyer, Thomas","Bis(2,2',2''-nitrilotriethanol)cobalt(II) bis(acetate)","Acta Crystallographica Section E","2006","62","10","m2429","m2431","10.1107/S160053680603443X","","","0.71073","MoKα","","0.0352","0.0288","","","0.0791","0.0836","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2210780","7.8902","0.0016","11.73","0.002","13.988","0.003","98.1","0.03","102.8","0.03","107.37","0.03","1174.7","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Aquaoxalato(2,4,6-tri-2-pyridyl-1,3,5-triazine)cobalt(II) tetrahydrate","","- C20 H22 Co N6 O9 -","- C20 H22 Co N6 O9 -","- C40 H44 Co2 N12 O18 -","2","1","SJ2112","De-Yi Cheng; Wei Xu; Yue-Qing Zheng","Aquaoxalato(2,4,6-tri-2-pyridyl-1,3,5-triazine)cobalt(II) tetrahydrate","Acta Crystallographica Section E","2006","62","10","m2561","m2563","10.1107/S1600536806036361","","","0.71073","MoKα","","0.0622","0.0403","","","0.0843","0.0972","","","","","","1.059","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210781","7.9978","0.0014","9.5959","0.0017","24.02","0.005","90","","90","","90","","1843.4","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diphenylmethyl 1-oxo-1-penicillanate","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C84 H84 N4 O16 S4 -","4","1","SJ2113","Bai, Guo-Yi; Peng, Hong-Wei; Qin, Xin-Ying; Zhang, Yue-Cheng; Zeng, Tao","Diphenylmethyl 1-oxo-1-penicillanate","Acta Crystallographica Section E","2006","62","10","o4391","o4392","10.1107/S1600536806035069","","","0.7107","MoKα","","0.0417","0.038","","","0.0837","0.0862","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210782","8.5874","0.0002","9.1624","0.0002","10.9048","0.0002","95.508","0.001","104.062","0.001","97.357","0.001","818.2","0.03","297","2","297","2","","","","","","","","4","P -1","-P 1","2","1-(4-Nitrophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","1-(4-Nitrophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 N O6 -","- C18 H17 N O6 -","- C36 H34 N2 O12 -","2","1","SJ2114","Mohd Mustaqim Rosli; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","1-(4-Nitrophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","10","o4228","o4230","10.1107/S1600536806034568","","","0.71073","MoKα","","0.0921","0.0585","","","0.1629","0.2037","","","","","","1.032","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210783","14.777","0.003","9.316","0.004","19.224","0.005","90","","90","","90","","2646.4","1.4","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","chlorpropamide","4-chloro-N-(propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C80 H104 Cl8 N16 O24 S8 -","8","1","SJ2115","Tatiana N. Drebushchak; Nikita V. Chukanov; Elena V. Boldyreva","A new polymorph of chlorpropamide: 4-chloro-<i>N</i>-(propylaminocarbonyl)benzenesulfonamide","Acta Crystallographica Section E","2006","62","10","o4393","o4395","10.1107/S1600536806035628","","","0.71073","MoKα","","0.1957","0.089","","","0.175","0.2229","","","","","","1.113","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210784","6.4659","0.0004","7.015","0.0005","14.2483","0.0009","101.72","0.001","97.962","0.001","99.015","0.001","615.22","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(tosylamino)butan-1-ol","","- C11 H17 N O3 S -","- C11 H17 N O3 S -","- C22 H34 N2 O6 S2 -","2","1","SJ2116","D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran; R. Raghunathan","2-(Tosylamino)butan-1-ol","Acta Crystallographica Section E","2006","62","10","o4454","o4455","10.1107/S1600536806036191","","","0.71073","MoKα","","0.0411","0.0393","","","0.114","0.1159","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210785","19.145","0.001","6.732","0.001","11.31","0.002","90","","90","","90","","1457.7","0.3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","{4-Chloro-2-[(E)-2- (dimethylamino)ethyliminomethyl]phenolato}thiocyanatocobalt(II)","","- C12 H14 Cl Co N3 O S -","- C12 H14 Cl Co N3 O S -","- C48 H56 Cl4 Co4 N12 O4 S4 -","4","0.5","SJ2117","San-Jun Peng; Hai-Yun Hou","{4-Chloro-2-[(<i>E</i>)-2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatocobalt(II)","Acta Crystallographica Section E","2006","62","10","m2535","m2537","10.1107/S1600536806035550","","","0.71073","MoKα","","0.0557","0.0413","","","0.106","0.1141","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210786","3.887","0.001","13.638","0.002","13.231","0.002","90","","94.546","0.002","90","","699.2","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-[1-(3,5-Dichloro-2-hydroxyphenyl)methylidene]isonicotinohydrazide monohydrate","","- C13 H11 Cl2 N3 O3 -","- C13 H11 Cl2 N3 O3 -","- C26 H22 Cl4 N6 O6 -","2","1","SJ2118","De-Suo Yang; Jin-Bao Guo","2'-[1-(3,5-Dichloro-2-hydroxyphenyl)methylidene]isonicotinohydrazide monohydrate","Acta Crystallographica Section E","2006","62","10","o4414","o4415","10.1107/S1600536806035811","","","0.71073","MoKα","","0.0405","0.0354","","","0.0764","0.0793","","","","","","1.024","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210787","7.7504","0.0016","18.363","0.004","9.788","0.002","90","","102.16","0.03","90","","1361.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(1-Methyl-1-phenylethoxy)-1,3-thiazole-2(3H)-thione","","- C13 H15 N O S2 -","- C13 H15 N O S2 -","- C52 H60 N4 O4 S8 -","4","1","SJ2119","Hartung, Jens; Schneiders, Nina; Bergsträsser, Uwe","3-(1-Methyl-1-phenylethoxy)-1,3-thiazole-2(3<i>H</i>)-thione: a tertiary thiohydroxamic acid <i>O</i>-ester","Acta Crystallographica Section E","2006","62","10","o4713","o4714","10.1107/S1600536806038360","","","0.71073","MoKα","","0.0634","0.0346","","","0.0791","0.0848","","","","","","0.918","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210788","6.1578","0.0014","10.779","0.003","16.166","0.004","105.048","0.004","93.677","0.004","99.606","0.004","1015.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-(3H-Benzotriazol-1-yl)-1-(2,5-dichlorophenyl)-2-oxopropyl nicotinate","","- C21 H14 Cl2 N4 O3 -","- C21 H14 Cl2 N4 O3 -","- C42 H28 Cl4 N8 O6 -","2","1","SJ2121","Jun Wan; Zheng-Zhong Peng; Sai Bi; Yue-Qin Yu; Shu-Sheng Zhang","3-(3<i>H</i>-Benzotriazol-1-yl)-1-(2,5-dichlorophenyl)-2-oxopropyl nicotinate","Acta Crystallographica Section E","2006","62","10","o4425","o4426","10.1107/S1600536806036051","","","0.71073","MoKα","","0.1469","0.0698","","","0.1334","0.1708","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210789","8.5491","0.0011","10.7464","0.0014","13.8045","0.0017","89.373","0.002","76.631","0.002","68.565","0.002","1144.7","0.3","292","2","292","2","","","","","","","","7","P -1","-P 1","2","","O-1-((E)-1-{1-[(6-Chloropyridin-3-yl)methyl]-5-methyl- 1H-1,2,3-triazol-4-yl}ethyleneamino) O-ethyl O-phenyl phosphorothioate","","- C19 H21 Cl N5 O3 P S -","- C19 H21 Cl N5 O3 P S -","- C38 H42 Cl2 N10 O6 P2 S2 -","2","1","SJ2123","Xiao-Fei Zhu; De-Qing Shi","<i>O</i>-(<i>E</i>)-1-{1-[(6-Chloropyridin-3-yl)methyl]-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl}ethyleneamino <i>O</i>-ethyl <i>O</i>-phenyl phosphorothioate","Acta Crystallographica Section E","2006","62","10","o4541","o4542","10.1107/S1600536806036956","","","0.71073","MoKα","","0.0777","0.0598","","","0.1618","0.1735","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210790","9.9173","0.0008","9.2463","0.0007","35.405","0.003","90","","90","","90","","3246.6","0.5","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Phosphoric trianilide","Trianilinophosphine oxide","","- C18 H18 N3 O P -","- C18 H18 N3 O P -","- C144 H144 N24 O8 P8 -","8","1","SJ2124","Shazia Anjum; Atta-ur-Rahman; Hoong-Kun Fun","Trianilinophosphine oxide","Acta Crystallographica Section E","2006","62","10","o4569","o4571","10.1107/S1600536806037159","","","0.71073","MoKα","","0.0554","0.049","","","0.1286","0.1365","","","","","","1.086","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210791","7.2038","0.0007","19.0535","0.0019","8.2252","0.0008","90","","97.808","0.002","90","","1118.5","0.19","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,4-triazolium picrate","","- C8 H6 N6 O7 -","- C8 H6 N6 O7 -","- C32 H24 N24 O28 -","4","1","SJ2125","Jin, Chuan-Ming; Wu, Ling-Yan; Chen, Cai-Yuan; Hu, Sheng-Li","1,2,4-Triazolium picrate","Acta Crystallographica Section E","2006","62","10","o4515","o4516","10.1107/S1600536806036932","","","0.71073","MoKα","","0.0534","0.0427","","","0.1048","0.1102","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210792","7.623","0.002","10.732","0.002","13.036","0.003","112.089","0.004","92.535","0.004","90.422","0.004","986.9","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Bis{4-bromo-2-[3- (cyclohexylamino)propyliminomethyl]phenolato}dithiocyanatonickel(II)","","- C34 H46 Br2 N6 Ni O2 S2 -","- C34 H46 Br2 N6 Ni O2 S2 -","- C34 H46 Br2 N6 Ni O2 S2 -","1","0.5","SJ2126","Yong-Qing Su; Ping Wang; Yong-Fu He; Li-Mei Liu","Bis{4-bromo-2-[3-(cyclohexylamino)propyliminomethyl]phenolato}dithiocyanatonickel(II)","Acta Crystallographica Section E","2006","62","10","m2673","m2675","10.1107/S1600536806037706","","","0.71073","MoKα","","0.1811","0.0805","","","0.1226","0.1543","","","","","","0.956","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210793","14.1918","0.0002","3.8515","0.0001","24.3418","0.0003","90","","116.283","0.001","90","","1192.96","0.04","100","0.1","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,4-Dichlorophenyl)-3-(2-thienyl)prop-2-en-1-one","","- C13 H8 Cl2 O S -","- C13 H8 Cl2 O S -","- C52 H32 Cl8 O4 S4 -","4","1","SJ2127","Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; P. S. Patil; S. M. Dharmaprakash","1-(2,4-Dichlorophenyl)-3-(2-thienyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","10","o4653","o4655","10.1107/S160053680603769X","","","0.71073","MoKα","","0.0297","0.0258","","","0.0725","0.0795","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210794","8.6266","0.0006","7.8941","0.0005","23.137","0.002","90","","98.018","0.001","90","","1560.2","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(di-2-pyridylmethanediol-κ^3^N,N',O)manganese(II) bis(acetate) tetrahydrate","","- C26 H34 Mn N4 O12 -","- C26 H34 Mn N4 O12 -","- C52 H68 Mn2 N8 O24 -","2","0.5","SJ2128","Xie, Ming-Jin; Lo, Kong Mun; Ng, Seik Weng","Bis(di-2-pyridylmethanediol-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)manganese(II) bis(acetate) tetrahydrate","Acta Crystallographica Section E","2006","62","10","m2735","m2736","10.1107/S1600536806038724","","","0.71073","MoKα","","0.0591","0.0494","","","0.1614","0.1734","","","","","","1.081","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210795","9.8466","0.0011","10.2147","0.001","10.8492","0.0012","84.224","0.002","80.232","0.002","82.956","0.002","1063.7","0.2","93","2","93","2","","","","","","","","5","P 1","P 1","1","15-(4-Chlorobenzylamino)-2-methoxypodocarpa-8,11,13-trien-15-one","N-(4-chlorobenzyl)-6-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a- octahydrophenanthrene-1-carboxamide","","- C25 H30 Cl N O2 -","- C25 H30 Cl N O2 -","- C50 H60 Cl2 N2 O4 -","2","2","TK2059","John, Nicole; Butcher, Raymond J.; Bakare, Oladapo","15-(4-Chlorobenzylamino)-2-methoxypodocarpa-8,11,13-trien-15-one","Acta Crystallographica Section E","2006","62","10","o4361","o4363","10.1107/S1600536806034283","","","0.71073","MoKα","","0.036","0.034","","","0.089","0.09","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210796","19.896","0.009","11.483","0.004","6.614","0.002","90","","90","","90","","1511.1","1","298","1","","","","","","","","","","4","P n n a","-P 2a 2bc","52","","Dichlorobis(2,4-dichloro-5-fluorophenyl)methane","","- C13 H4 Cl6 F2 -","- C13 H4 Cl6 F2 -","- C52 H16 Cl24 F8 -","4","0.5","TK2067","Guang-Xiang Zhong; Kun Zhao; Ya-Ping Lü; Wei-Xiao Hu","Dichlorobis(2,4-dichloro-5-fluorophenyl)methane","Acta Crystallographica Section E","2006","62","10","o4629","o4630","10.1107/S1600536806037688","","","0.71075","MoKα","","","0.033","","","","0.088","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210797","10.492","0.002","12.849","0.003","18.645","0.005","90","","97.949","0.01","90","","2489.4","1","296","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(8S)-3-(2-Deoxy-3,5-di-O-p-toluoyl-α-D-erythro-pentafuranosyl)-3,6,7,8- tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol","","- C27 H28 N4 O6 -","- C27 H28 N4 O6 -","- C108 H112 N16 O24 -","4","2","TK2068","Li-Ping Gao; Ping-Dong Wu; Xiu-Rong Hu; Jian-Ming Gu","(8<i>S</i>)-3-(2-Deoxy-3,5-di-<i>O</i>-<i>p</i>-toluoyl-α-<small>D</small>-<i>erythro</i>-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-<i>d</i>][1,3]diazepin-8-ol","Acta Crystallographica Section E","2006","62","10","o4216","o4218","10.1107/S1600536806029497","","","0.71075","MoKα","","","0.036","","","","0.06","","","","","","1","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210798","6.3387","0.0008","7.2227","0.0009","10.5527","0.0011","94.172","0.01","100.274","0.01","97.704","0.01","468.77","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","ammonium oxalate oxalic acid dihydrate","","- C4 H11 N O10 -","- C4 H11 N O10 -","- C8 H22 N2 O20 -","2","1","TK2071","Gustavo Portalone; Marcello Colapietro","Redetermination of ammonium oxalate oxalic acid dihydrate","Acta Crystallographica Section E","2006","62","10","o4725","o4727","10.1107/S1600536806038748","","","0.710689","MoKα","","0.05","0.043","","","0.127","0.132","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210799","9.6834","0.0001","11.9792","0.0002","13.5579","0.0002","82.82","0.001","69.571","0.001","68.184","0.001","1368.22","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","7-(Piperidin-1-yl)-2-propyl-4-oxa-5-thia-1,6,7a-triazaindene 5,5-dioxide","","- C12 H18 N4 O3 S -","- C12 H18 N4 O3 S -","- C48 H72 N16 O12 S4 -","4","2","TK2075","Liepa, Andris J.; Jahangiri, Saba; Fallon, Gary D.; Forsyth, Craig M.; Warden, Andrew C.","7-(Piperidin-1-yl)-2-propyl-4-oxa-5-thia-1,6,7a-triazaindene 5,5-dioxide, a derivative of a new ring system","Acta Crystallographica Section E","2006","62","10","o4470","o4472","10.1107/S1600536806033757","","","0.71073","MoKα","","0.085","0.042","","","0.09","0.102","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210800","8.469","0.0017","9.0086","0.0018","13.1","0.003","100.55","0.03","103.95","0.03","97.85","0.03","936.3","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Poly[[aquapraseodymium(III)]-μ-(8-carboxyoctanoato)-μ-octanedioato]","","- C16 H27 O9 Pr -","- C16 H27 O9 Pr -","- C32 H54 O18 Pr2 -","2","1","TK2076","Shi-Jie Huang; Dan-Yi Wei; Zheng, Yue-Qing","Poly[[aquapraseodymium(III)]-μ-(8-carboxyoctanoato)-μ-octanedioato]","Acta Crystallographica Section E","2006","62","10","m2482","m2484","10.1107/S1600536806035306","","","0.71073","MoKα","","0.02","0.019","","","0.053","0.053","","","","","","1.16","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210801","5.4005","0.0011","8.9359","0.0018","12.019","0.002","103.17","0.03","94.31","0.03","100.11","0.03","552","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[bis(4-chlorobenzoatocopper(II)]-μ-4,4-bipyridine-κ^2^N:N']","","- C24 H16 Cl2 Cu N2 O4 -","- C24 H16 Cl2 Cu N2 O4 -","- C24 H16 Cl2 Cu N2 O4 -","1","0.5","TK2078","Xue, Lin; Che, Yun-Xia; Zheng, Ji-Min","<i>catena</i>-Poly[bis(4-chlorobenzoato)copper(II)]-μ-4,4-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2006","62","10","m2750","m2752","10.1107/S1600536806038761","","","0.71073","MoKα","","0.04","0.037","","","0.093","0.095","","","","","","1.07","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210802","9.115","0.006","9.698","0.008","10.227","0.006","67.92","0.03","67.3","0.02","71.21","0.03","756.1","0.9","296","","","","","","","","","","","5","P -1","-P 1","2","","(Cyclobutane-1,1-dicarboxylato-κ^2^O,O')(di-2-pyridylamine- κ^2^N,N')palladium(II)","","- C16 H15 N3 O4 Pd -","- C16 H15 N3 O4 Pd -","- C32 H30 N6 O8 Pd2 -","2","1","TK2079","Okabe, Nobuo; Mizubayashi, Yu; Odoko, Mamiko","(Cyclobutane-1,1-dicarboxylato-κ^2^<i>O</i>,<i>O</i>')(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')palladium(II)","Acta Crystallographica Section E","2006","62","10","m2747","m2749","10.1107/S1600536806038773","","","0.7107","MoKα","","","0.02","","","","0.074","","","","","","1.274","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210803","3.6656","0.0001","27.8941","0.0015","12.1499","0.0005","90","","92.3075","0.0015","90","","1241.3","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cytosinium hydrogen chloranilate monohydrate","","- C10 H9 Cl2 N3 O6 -","- C10 H9 Cl2 N3 O6 -","- C40 H36 Cl8 N12 O24 -","4","1","TK2082","Gotoh, Kazuma; Ishikawa, Rie; Ishida, Hiroyuki","Cytosinium hydrogen chloranilate monohydrate","Acta Crystallographica Section E","2006","62","10","o4738","o4740","10.1107/S1600536806038943","","","0.71075","MoKα","","0.034","0.028","","","0.071","0.073","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210804","7.4007","0.0015","11.794","0.002","16.29","0.003","90","","90","","90","","1421.9","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-2-hydroxy-N'-[1-(4-methoxyphenyl)ethylidene]benzohydrazide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","WK2022","Qiu, Xiao-Yang; Luo Qiu-Yan; Yang, Sen-Lin; Liu, Wei-Sheng","(<i>E</i>)-2-Hydroxy-<i>N</i>'-[1-(4-methoxyphenyl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2006","62","10","o4291","o4292","10.1107/S1600536806029345","","","0.71073","MoKα","","0.0604","0.0353","","","0.0895","0.1024","","","","","","1.031","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210805","14.137","0.003","12.72","0.003","7.5265","0.0015","90","","98.93","0.03","90","","1337","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(2,4-dichlorophenoxyacetato-κO)bis(1H-imidazole-κN^3^)cobalt(II)","","- C22 H22 Cl4 Co N4 O8 -","- C22 H22 Cl4 Co N4 O8 -","- C44 H44 Cl8 Co2 N8 O16 -","2","0.5","WK2024","Song, Wen-Dong; Gu, Chang-Sheng; Hao, Xiao-Min; Ma, De-Yun; Liu, Zhong-Yuan","Diaquabis(2,4-dichlorophenoxyacetato-κ<i>O</i>)bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II)","Acta Crystallographica Section E","2006","62","10","m2618","m2620","10.1107/S160053680603666X","","","0.71073","MoKα","","0.0362","0.0306","","","0.0773","0.0802","","","","","","1.059","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2210806","6.924","0.002","13.396","0.002","14.63","0.001","90","","103.03","0.01","90","","1322.1","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-(Aminomethylene)pentane-2,4-dione","","- C6 H9 N O2 -","- C6 H9 N O2 -","- C48 H72 N8 O16 -","8","1","WK2027","Gróf, Martin,; Milata, Viktor; Kožíšek, Jozef","3-(Aminomethylene)pentane-2,4-dione","Acta Crystallographica Section E","2006","62","10","o4464","o4465","10.1107/S1600536806035276","","","0.71073","MoKα","","0.0635","0.0372","","","0.0971","0.1021","","","","","","0.975","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210807","19.057","0.003","19.057","0.003","12.557","0.003","90","","90","","120","","3949.3","1.3","293","2","293","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","Dipotassium sodium hydrogen dodecatungstogermanate heptahydrate","","- Ge H15 K2 Na O47 W12 -","- Ge H8 K2 Na O47 W12 -","- Ge3 H24 K6 Na3 O141 W36 -","3","0.25","WM2028","Han, Qiu-Xia; Wang, Jing-Ping; Song, Li-Hua","K~2~NaH[GeW~12~O~40~]·7H~2~O, with a Keggin-type heteropolyoxoanion","Acta Crystallographica Section E","2006","62","10","i201","i203","10.1107/S1600536806034362","","","0.71073","MoKα","","0.0414","0.0364","","","0.075","0.0761","","","","","","1.109","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210808","13.9038","0.0002","13.9038","0.0002","13.9038","0.0002","90","","90","","90","","2687.82","0.07","298","2","298","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","Tychite","hexasodium dimagnesium sulfate tetracarbonate","","- C4 Mg2 Na6 O16 S -","- C4 Mg2 Na6 O16 S -","- C32 Mg16 Na48 O128 S8 -","8","0.0833333","WM2032","Schmidt, Gregory R.; Reynard, Jacqueline; Yang, Hexiong; Robert T. Downs","Tychite, Na~6~Mg~2~(SO~4~)(CO~3~)~4~: structure analysis and Raman spectroscopic data","Acta Crystallographica, Section E","2006","62","10","i207","i209","10.1107/S160053680603491X","","","0.71073","MoKα","","0.028","0.0233","","","0.0718","0.0762","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2210809","8.957","0.002","8.957","0.002","3.6939","0.0014","90","","90","","90","","296.35","0.15","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","Rubidium sodiotricadmate","","- Cd3 Na O4 Rb -","- Cd3 Na O4 Rb -","- Cd6 Na2 O8 Rb2 -","2","0.125","WM2046","Kerp, Oliver; Möller, Angela","Rubidium sodotricadmate, Rb[NaCd~3~O~4~]","Acta Crystallographica Section E","2006","62","10","i204","i206","10.1107/S1600536806034489","","","0.71073","MoKα","","0.043","0.0406","","","0.0976","0.0983","","","","","","1.206","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210810","5.939","0.0008","25.276","0.005","9.567","0.002","90","","99.12","0.01","90","","1418","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-benzyl-3-(benzylsulfanyl)-1H-1,2,4-triazole","","- C16 H15 N3 S -","- C16 H15 N3 S -","- C64 H60 N12 S4 -","4","1","WN2039","Mironova, Ekaterina V.; Gubaidullin, Aidar T.; Litvinov, Igor A.; Buzykin, Boris I.; Nabiullin, Vazyikh N.","1-Benzyl-3-(benzylsulfanyl)-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2006","62","10","o4460","o4461","10.1107/S1600536806024482","","","1.54184","CuKα","","0.0642","0.0429","","","0.1121","0.1252","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210811","11.324","0.002","6.604","0.0014","11.862","0.002","90","","117.066","0.003","90","","789.9","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(hydroxymethyl)isoindoline-1,3-dione","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","WN2060","Liang, Zu-Pei; Li, Jian","2-(Hydroxymethyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2006","62","10","o4276","o4277","10.1107/S1600536806034994","","","0.71073","MoKα","","0.048","0.0339","","","0.0958","0.1071","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210812","19.137","0.003","19.137","0.003","9.417","0.0019","90","","90","","90","","3448.7","1","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","Methyl 2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carboxylate","","- C21 H16 F N O3 -","- C21 H16 F N O3 -","- C168 H128 F8 N8 O24 -","8","1","WN2061","Guo, Cheng; Tang, Qing-Gang; Ji, Chun-Xiang; Zhang, Dong-Mei; Sun, Hong-Shun","Methyl 2-amino-4-(2-fluorophenyl)-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate","Acta Crystallographica Section E","2006","62","10","o4750","o4751","10.1107/S1600536806035975","","","0.71073","MoKα","","0.0883","0.047","","","0.1139","0.134","","","","","","0.986","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210813","22.832","0.005","4.756","0.001","20.515","0.004","90","","115.74","0.03","90","","2006.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N^1^-(2,4-Dichloroanilino)acetamidine","","- C8 H9 Cl2 N3 -","- C8 H9 Cl2 N3 -","- C64 H72 Cl16 N24 -","8","1","WN2065","Jing Heng; Wen-Yuan Wu; Ya-Ming Wu; Hong-Jun Zhu","<i>N</i>^1^-(2,4-Dichloroanilino)acetamidine","Acta Crystallographica Section E","2006","62","10","o4359","o4360","10.1107/S1600536806035513","","","0.71073","MoKα","","0.1143","0.0704","","","0.182","0.2139","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210814","8.4833","0.0017","9.4187","0.0019","10.748","0.002","90.16","0.03","107.77","0.03","111.4","0.03","755.1","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-bromo-bis{aqua[(5-bromo-1H-imidazol-4-ylmethylene)(2-pyridylmethyl)amine- κ^3^N,N',N'']nickel(II)} dibromide","","- C20 H22 Br6 N8 Ni2 O2 -","- C20 H22 Br6 N8 Ni2 O2 -","- C20 H22 Br6 N8 Ni2 O2 -","1","0.5","WN2067","Hsiao-Ting Wang; Yong-Yi Song; Michael Y. Chiang; Wen-Feng Zeng","Di-μ-bromo-bis{aqua[(5-bromo-1<i>H</i>-imidazol-4-ylmethylene)(2-pyridylmethyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']nickel(II)} dibromide","Acta Crystallographica Section E","2006","62","10","m2464","m2466","10.1107/S160053680603532X","","","0.71073","MoKα","","0.1293","0.043","","","0.1022","0.1277","","","","","","0.95","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210815","7.6419","0.0019","9.533","0.002","15.727","0.004","105.317","0.004","96.56","0.004","95.347","0.004","1088.6","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-(2,4-Dinitrophenyl)-2-[3-methoxy-4-(p- tolylsulfonyloxy)benzylidene]hydrazine","","- C21 H18 N4 O8 S -","- C21 H18 N4 O8 S -","- C42 H36 N8 O16 S2 -","2","1","WN2069","Chen, Xin; Yu, Ming","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[3-methoxy-4-(<i>p</i>-tolylsulfonyloxy)benzylidene]hydrazine","Acta Crystallographica Section E","2006","62","10","o4466","o4467","10.1107/S1600536806036804","","","0.71073","MoKα","","0.093","0.0481","","","0.1096","0.1343","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210816","9.191","0.0018","10.838","0.002","20.879","0.004","90","","94.92","0.03","90","","2072.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,5'-Dimethoxy-3,3'-(3-fluorophenylmethanediyl)bis(1H-indole)","","- C25 H21 F N2 O2 -","- C25 H21 F N2 O2 -","- C100 H84 F4 N8 O8 -","4","1","WN2070","Tang, Shi-Gui; Zhang, Dong-Mei; Wu, Wen-yuan; Shan, Liu; Guo, Cheng","5,5'-Dimethoxy-3,3'-(3-fluorophenylmethanediyl)bis(1<i>H</i>-indole)","Acta Crystallographica Section E","2006","62","10","o4691","o4692","10.1107/S1600536806038293","","","0.71073","MoKα","","0.1024","0.0614","","","0.1538","0.1789","","","","","","1.042","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210817","7.0914","0.0016","11.975","0.003","12.121","0.003","69.858","0.004","78.456","0.004","85.193","0.004","946.7","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-[4-(4-Chlorobenzyloxy)benzylidene]-2-(2,4-dinitrophenyl)hydrazine","","- C20 H15 Cl N4 O5 -","- C20 H15 Cl N4 O5 -","- C40 H30 Cl2 N8 O10 -","2","1","WN2071","Shi, Jun","(<i>E</i>)-1-[4-(4-Chlorobenzyloxy)benzylidene]-2-(2,4-dinitrophenyl)hydrazine","Acta Crystallographica Section E","2006","62","10","o4533","o4534","10.1107/S1600536806037342","","","0.71073","MoKα","","0.0775","0.0404","","","0.0879","0.1069","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210818","5.936","0.001","11.674","0.002","13.962","0.003","68.5","0.03","84.83","0.03","87.53","0.03","896.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-[1-(4-Methoxyphenyl)ethylidene]-4-phenylthiosemicarbazide ethanol hemisolvate","","- C17 H20 N3 O1.5 S -","- C17 H17 N3 O1.5 S -","- C34 H34 N6 O3 S2 -","2","1","WW2022","Jian, Fangfang; Li, Ying","1-[1-(4-Methoxyphenyl)ethylidene]-4-phenylthiosemicarbazide ethanol hemisolvate","Acta Crystallographica Section E","2006","62","10","o4456","o4457","10.1107/S1600536806036415","","","0.71073","MoKα","","0.1224","0.0922","","","0.283","0.3143","","","","","","1.253","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210819","10.056","0.002","11.936","0.002","13.636","0.002","73.506","0.002","84.991","0.002","65.205","0.002","1423.7","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-naphthalene-1-acetato-κ^2^O:O')bis[(N,N-dimethylformamide- κO)copper(II)] N,N-dimethylformamide disolvate","","- C60 H64 Cu2 N4 O12 -","- C60 H64 Cu2 N4 O12 -","- C60 H64 Cu2 N4 O12 -","1","0.5","WW2027","Xia, H.-T; Liu, Y.-F; Li, S.-A","Tetrakis(μ-naphthalene-1-acetato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)] <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2006","62","10","m2653","m2655","10.1107/S1600536806037378","","","0.71073","MoKα","","0.0524","0.0366","","","0.0845","0.0946","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210820","8.438","0.006","9.798","0.007","24.375","0.015","90","","90","0.05","90","","2015","2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 3-[3-tert-butyl-5-(6-chloro-1-oxybenzotriazol-2-yl)-4-hydroxyphenyl]propionate","","- C20 H22 Cl N3 O4 -","- C20 H22 Cl N3 O4 -","- C80 H88 Cl4 N12 O16 -","4","1","WW2032","Wen, Hui-Liang; Chen, Yun-Hua; Hu, Hai-Wei; Zhou, Xiao-Ying; Liu, Chong-Bo","Methyl 3-[3-<i>tert</i>-butyl-5-(6-chloro-1-oxybenzotriazol-2-yl)-4-hydroxyphenyl]propionate","Acta Crystallographica Section E","2006","62","10","o4702","o4703","10.1107/S1600536806038578","","","0.71073","MoKα","","0.0892","0.0451","","","0.1038","0.129","","","","","","0.99","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210821","9.1715","0.0011","10.1286","0.0012","10.6487","0.0012","111.211","0.001","92.045","0.002","94.645","0.001","916.91","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)-1-(4-methyloxyphenyl)azetidin- 2-one","","- C20 H17 Br N2 O4 -","- C20 H17 Br N2 O4 -","- C40 H34 Br2 N4 O8 -","2","1","WW2040","Zhang, Ping; Yu, Jing-Min; Liu, Na; Li, Yuan","4-(4-Bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)-1-(4-methyloxyphenyl)azetidin-2-one","Acta Crystallographica Section E","2006","62","10","o4487","o4488","10.1107/S1600536806036622","","","0.71073","MoKα","","0.0423","0.0313","","","0.0729","0.077","","","","","","1.038","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210822","10.136","0.005","10.343","0.006","10.524","0.004","106.82","0.02","116.97","0.02","95.19","0.02","908.9","0.8","296","1","","","","","","","","","","6","P -1","-P 1","2","","N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylsulfanyl)-2-hydroxy- 2-methylpropionamide","","- C18 H14 F4 N2 O2 S -","- C18 H14 F4 N2 O2 S -","- C36 H28 F8 N4 O4 S2 -","2","1","WW2047","Hu, Xiu-Rong; Wang, Li-Li; Gu, Jian-Ming","<i>N</i>-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylsulfanyl)-2-hydroxy-2-methylpropionamide","Acta Crystallographica Section E","2006","62","10","o4545","o4546","10.1107/S1600536806037147","","","0.7107","MoKα","","","0.0653","","","","0.1749","","","","","","1.013","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210823","12.9472","0.0003","7.7206","0.0002","13.8128","0.0003","90","","93.4766","0.0011","90","","1378.19","0.06","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Carboxypyridinium hydrogen chloranilate monohydrate","4-Carboxypyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate monohydrate","","- C12 H9 Cl2 N O7 -","- C12 H9 Cl2 N O7 -","- C48 H36 Cl8 N4 O28 -","4","1","WW2050","Gotoh, Kazuma; Tabuchi, Youhei; Akashi, Haruo; Ishida, Hiroyuki","4-Carboxypyridinium hydrogen chloranilate monohydrate","Acta Crystallographica Section E","2006","62","10","o4420","o4421","10.1107/S1600536806036464","","","0.71073","MoKα","","0.042","0.036","","","0.089","0.0921","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210824","10.0453","0.0004","10.7601","0.0004","16.0064","0.0006","90","","103.931","0.002","90","","1679.22","0.11","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ-N,N-diethyldithiocarbamato-κ^3^S,S':S')bis[(μ-N,N- diethyldithiocarbamato-κ^2^S,S')silver(II)]","","- C20 H40 Ag2 N4 S8 -","- C20 H40 Ag2 N4 S8 -","- C40 H80 Ag4 N8 S16 -","2","0.5","XU2056","Ning Liu; Jun Fan; Wei-Guang Zhang; Xia Yin; Mu-Biao Xie","Bis(μ-<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>')bis[(μ-<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')silver(II)]","Acta Crystallographica Section E","2006","62","10","m2588","m2590","10.1107/S1600536806032314","","","0.71073","MoKα","","0.027","0.021","","","0.045","0.048","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210825","9.237","0.002","6.7553","0.0018","9.529","0.003","90","","115.905","0.004","90","","534.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Pyridinium 5-carboxypyrazine-2-carboxylate","","- C11 H9 N3 O4 -","- C11 H9 N3 O4 -","- C22 H18 N6 O8 -","2","0.5","XU2105","Xian-Zhi Guo; Sheng-Min Hao; Bao-Long Zhang","Pyridinium 5-carboxypyrazine-2-carboxylate","Acta Crystallographica Section E","2006","62","10","o4462","o4463","10.1107/S160053680603039X","","","0.71073","MoKα","","0.046","0.036","","","0.1","0.109","","","","","","1.083","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210826","17.149","0.003","11.636","0.002","8.012","0.0016","90","","90","","90","","1598.8","0.5","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","2'-Chloroacetophenone azine","","- C16 H14 Cl2 N2 -","- C16 H14 Cl2 N2 -","- C64 H56 Cl8 N8 -","4","0.5","XU2107","Pu-Su Zhao; Huan-Mei Guo; Fang-Fang Jian; Jian Zheng; Hai-Lian Xiao","2'-Chloroacetophenone azine","Acta Crystallographica Section E","2006","62","10","o4438","o4439","10.1107/S160053680603594X","","","0.71073","MoKα","","0.092","0.05","","","0.138","0.171","","","","","","0.928","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210827","19.68","0.003","17.048","0.002","16.54","0.002","90","","104.435","0.002","90","","5374.1","1.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[pentaimidazolecopper(II)] naphthalene-1,4,5,8-tetracarboxylate trihydrate","","- C44 H50 Cu2 N20 O11 -","- C44 H50 Cu2 N20 O11 -","- C176 H200 Cu8 N80 O44 -","4","0.5","XU2108","Wang, Hua; Liang, Shuang; Wang, Zhen; Han, Jin-Yu","Bis[pentaimidazolecopper(II)] naphthalene-1,4,5,8-tetracarboxylate trihydrate","Acta Crystallographica Section E","2006","62","10","m2621","m2622","10.1107/S1600536806036592","","","0.71073","MoKα","","0.061","0.036","","","0.086","0.098","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210828","6.167","0.002","17.497","0.006","20.288","0.007","90","","90","","90","","2189.2","1.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S)-tert-Butyl 4-(hydroxydiphenylmethyl)-2,2-dimethyloxazolidine-3-carboxylate","","- C23 H29 N O4 -","- C23 H29 N O4 -","- C92 H116 N4 O16 -","4","1","XU2111","Gao, Yu-Xing; Liu, Wan-Yun; Bai, Yong-Gang; Guo, Ting-Ting; Zhao, Yu-Fen","(4<i>S</i>)-<i>tert</i>-Butyl 4-(hydroxydiphenylmethyl)-2,2-dimethyloxazolidine-3-carboxylate","Acta Crystallographica Section E","2006","62","10","o4308","o4309","10.1107/S1600536806033071","","","0.71073","MoKα","","0.071","0.064","","","0.153","0.157","","","","","","1.309","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210829","13.2944","0.0012","9.511","0.0008","14.1654","0.0012","90","","108.393","0.002","90","","1699.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetra-μ-acetato-bis[(9,10-dihydrobenzo[de]imidazo[2,1-a]isoquinolin-7- one-κN^11^)copper(II)]","","- C36 H32 Cu2 N4 O10 -","- C36 H32 Cu2 N4 O10 -","- C72 H64 Cu4 N8 O20 -","2","0.5","XU2114","Jia-Min Chen; Jing-Jia Sun; Wei-Wei Huang; Yan-Ni Lao; Shi-Ping Yang","Tetra-μ-acetato-bis[(9,10-dihydrobenzo[<i>de</i>]imidazo[2,1-<i>a</i>]isoquinolin-7-one-κ<i>N</i>^11^)copper(II)]","Acta Crystallographica Section E","2006","62","10","m2573","m2574","10.1107/S1600536806036105","","","0.71073","MoKα","","0.069","0.046","","","0.102","0.124","","","","","","0.907","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210830","14.132","0.005","8.371","0.003","15.454","0.006","90","","115.734","0.005","90","","1646.9","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaqua(2,2'-bipyridine)(ethylenediamine)nickel(II) dichloride","","- C12 H20 Cl2 N4 Ni O2 -","- C12 H20 Cl2 N4 Ni O2 -","- C48 H80 Cl8 N16 Ni4 O8 -","4","1","XU2116","Chen, Zi-Lu; Zhang, Yu-Zhen; Liang, Fu-Pei","Diaqua(2,2'-bipyridine)(ethylenediamine)nickel(II) dichloride","Acta Crystallographica Section E","2006","62","10","m2610","m2612","10.1107/S1600536806036646","","","0.71073","MoKα","","0.051","0.035","","","0.083","0.092","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210831","12.547","0.0006","12.0008","0.0005","11.2363","0.0004","90","","93.452","0.001","90","","1688.83","0.12","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","catena-Poly[[ethyldiphenyltin(IV)]-μ-dichloroacetato-κ^2^O:O']","","- C16 H16 Cl2 O2 Sn -","- C16 H16 Cl2 O2 Sn -","- C64 H64 Cl8 O8 Sn4 -","4","1","XU2117","Amini, Mostafa M.; Alijani, Vajihe; Azadmeher, Amirreza; Ng, Seik Weng","<i>catena</i>-Poly[[ethyldiphenyltin(IV)]-μ-dichloroacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","10","m2427","m2428","10.1107/S1600536806034672","","","0.71073","MoKα","","0.018","0.017","","","0.047","0.059","","","","","","1.2","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210832","10.4852","0.0017","16.274","0.003","12.101","0.002","90","","104.921","0.003","90","","1995.2","0.6","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Di-2-pyridylbenzene-1,3-dicarboxamide dimethyl sulfoxide solvate","","- C20 H20 N4 O3 S -","- C20 H20 N4 O3 S -","- C80 H80 N16 O12 S4 -","4","1","XU2118","Da-Bin Qin; Lin-Hai Jin; Huan-Xia zhang; Shao-Jin Gu","<i>N</i>,<i>N</i>'-Di-2-pyridylbenzene-1,3-dicarboxamide dimethyl sulfoxide solvate","Acta Crystallographica Section E","2006","62","10","o4519","o4520","10.1107/S1600536806036671","","","0.71073","MoKα","","0.107","0.042","","","0.088","0.113","","","","","","0.978","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210833","8.1645","0.0002","13.4135","0.0004","15.1186","0.0004","90","","97.994","0.011","90","","1639.62","0.09","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexakis(1-methylimidazole)manganese(II) dichloride dihydrate","","- C24 H40 Cl2 Mn N12 O2 -","- C24 H40 Cl2 Mn N12 O2 -","- C48 H80 Cl4 Mn2 N24 O4 -","2","0.5","XU2119","Chong-Min Zhong; Ya-Jie Zuo; Hua-Shu Jin; Tian-Chi Wang; Shuang-Quan Liu","Hexakis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)manganese(II) dichloride dihydrate","Acta Crystallographica Section E","2006","62","10","m2605","m2606","10.1107/S1600536806036762","","","0.71073","MoKα","","0.035","0.03","","","0.084","0.087","","","","","","1.063","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210834","10.2328","0.0009","8.4172","0.0007","20.2015","0.0018","90","","98.983","0.002","90","","1718.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-Ethoxyphenyl)-6-(phenoxymethyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole","","- C18 H16 N4 O2 S -","- C18 H16 N4 O2 S -","- C72 H64 N16 O8 S4 -","4","1","XU2120","Xin-Xiang Lei; Xiao-Bo Huang; An-Jiang Zhang; Li-Xue Zhang","3-(2-Ethoxyphenyl)-6-(phenoxymethyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2006","62","10","o4416","o4417","10.1107/S1600536806035860","","","0.71073","MoKα","","0.066","0.053","","","0.113","0.119","","","","","","1.092","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210835","19.7761","0.0009","14.4074","0.0005","14.8877","0.0006","90","","90","","90","","4241.8","0.3","273","2","273","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","Tris(phenanthroline-κ^2^N,N')nickel(II) bis(malate) tetrahydrate","","- C44 H42 N6 Ni O14 -","- C44 H42 N6 Ni O14 -","- C176 H168 N24 Ni4 O56 -","4","0.5","XU2121","Guo-Bing Yan","Tris(phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) bis(malate) tetrahydrate","Acta Crystallographica Section E","2006","62","10","m2664","m2665","10.1107/S1600536806037391","","","0.71073","MoKα","","0.101","0.046","","","0.121","0.141","","","","","","0.883","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210836","7.8605","0.0003","8.0103","0.0003","11.4271","0.0005","89.093","0.002","85.418","0.001","72.554","0.001","684.19","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4,4-Difluoro-8-(4-nitrylphenyl)-4-bora-3a,4a-diaza-s-indacene","","- C15 H10 B F2 N3 O2 -","- C15 H10 B F2 N3 O2 -","- C30 H20 B2 F4 N6 O4 -","2","1","XU2123","Ai-Jun Cui; Xiao-Jun Peng; Yun-Ling Gao; Jiang-Li Fan","4,4-Difluoro-8-(4-nitrophenyl)-4-bora-3a,4a-diaza-<i>s</i>-indacene","Acta Crystallographica Section E","2006","62","10","o4697","o4698","10.1107/S1600536806038505","","","0.71073","MoKα","","0.076","0.071","","","0.206","0.216","","","","","","1.065","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210837","11.688","0.002","11.546","0.002","10.133","0.002","90","","94.694","0.002","90","","1362.9","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methyl-1H-indole-3-carbaldehyde 2-thienoylhydrazone","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C60 H52 N12 O4 S4 -","4","1","XU2124","Ali, Hapipah M.; Najwa, Mohd Idris; Xie, Ming-Jin; Ng, Seik Weng","2-Methyl-1<i>H</i>-indole-3-carbaldehyde 2-thienoylhydrazone","Acta Crystallographica Section E","2006","62","10","o4525","o4526","10.1107/S1600536806037007","","","0.71073","MoKα","","0.153","0.075","","","0.172","0.209","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210838","12.171","0.001","14.09","0.001","8.6767","0.0007","90","","97.917","0.001","90","","1473.8","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-1H-indole-3-carbaldehyde 4-hydrobenzoylhydrazone","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","XU2125","Ali, Hapipah M.; Najwa, Mohd Idris; Xie, Ming-Jin; Ng, Seik Weng","2-Methyl-1<i>H</i>-indole-3-carbaldehyde 4-hydroxybenzoylhydrazone","Acta Crystallographica Section E","2006","62","10","o4527","o4528","10.1107/S160053680603724X","","","0.71073","MoKα","","0.058","0.043","","","0.113","0.124","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210839","9.168","0.002","10.053","0.002","18.405","0.004","90","","90","","90","","1696.3","0.6","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,4R)-1-(Hydroxydiphenylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","1","XU2126","Gao, Yu-Xing; Tang, Guo; Zhao, Yu-Fen","(1<i>R</i>,4<i>R</i>)-1-(Hydroxydiphenylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one","Acta Crystallographica Section E","2006","62","10","o4521","o4522","10.1107/S1600536806037287","","","0.71073","MoKα","","0.053","0.052","","","0.148","0.15","","","","","","1.189","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210840","6.246","0.002","16.671","0.006","14.173","0.004","90","","112.661","0.012","90","","1361.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(4-Chlorobenzyl)-3-phenyl-1,2,4,5-tetrazine","","- C15 H11 Cl N4 -","- C15 H11 Cl N4 -","- C60 H44 Cl4 N16 -","4","1","XU2128","Feng Xu; Wei-Xiao Hu","6-(4-Chlorobenzyl)-3-phenyl-1,2,4,5-tetrazine","Acta Crystallographica Section E","2006","62","10","o4636","o4637","10.1107/S1600536806038244","","","0.71073","MoKα","","0.119","0.077","","","0.201","0.233","","","","","","0.956","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210841","11.745","0.003","10.343","0.002","22.722","0.005","90","","102.838","0.004","90","","2691.2","1","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Phillyrin sesquihydrate","","- C27 H37 O12.5 -","- C27 H37 O12.5 -","- C108 H148 O50 -","4","2","YA2022","Ren-Jie Yin; Xiao-Bing Wang; Ling-Yi Kong","Phillyrin sesquihydrate","Acta Crystallographica Section E","2006","62","10","o4606","o4608","10.1107/S1600536806037834","","","0.71073","MoKα","","0.122","0.052","","","0.11","0.14","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210842","31.353","0.002","11.2316","0.0007","21.2808","0.0014","90","","116.875","0.001","90","","6684.5","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Acetato[μ-10,21-dibutyl-3,6,14,17-tetrazatricyclo[17.3.1.1^(8,12)^]tetracosa- 1(23),2,6,8,10,12(24),13,17,19,21-decaene-23,24-diolato(2-)- κ^4^N^3^,N^6^,O^23^,O^24^:κ^4^N^14^,N^17^,O^23^,O^24^]dinickel(II) perchlorate acetonitrile hemisolvate","","- C31 H38.5 Cl N4.5 Ni2 O8 -","- C31 H38.5 Cl N4.5 Ni2 O8 -","- C248 H308 Cl8 N36 Ni16 O64 -","8","1","YA2023","Hong Zhou; Zhi-Quan Pan; Yan-Jiao Zhang","Acetato[μ-10,21-dibutyl-3,6,14,17-tetrazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),2,6,8,10,12(24),13,17,19,21-decaene-23,24-diolato(2‒)-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>O</i>^23^,<i>O</i>^24^:κ^4^<i>N</i>^14^,<i>N</i>^17^,<i>O</i>^23^,<i>O</i>^24^]dinickel(II) perchlorate acetonitrile hemisolvate","Acta Crystallographica Section E","2006","62","10","m2442","m2444","10.1107/S1600536806034751","","","0.71073","MoKα","","0.06","0.045","","","0.098","0.101","","","","","","1.06","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210843","17.546","0.005","12.522","0.005","7.405","0.005","90","","113.207","0.005","90","","1495.3","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","trans,trans,trans-1,4-Dimethoxy-2,3,5,8-tetrabromo-1,2,3,4-tetrahydronaphthalene","","- C12 H12 Br4 O2 -","- C12 H12 Br4 O2 -","- C48 H48 Br16 O8 -","4","0.5","YA2026","Ísmail Çelik; Mehmet Akkurt; Ramazan Erenler; Osman Çakmak; Cem Cüneyt Ersanlı","<i>trans</i>,<i>trans</i>,<i>trans</i>-1,4-Dimethoxy-2,3,5,8-tetrabromotetralin","Acta Crystallographica Section E","2006","62","10","o4609","o4610","10.1107/S1600536806037949","","","0.71073","MoKα","","0.15","0.07","","","0.124","0.15","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210844","10.493","0.002","13.144","0.003","14.214","0.003","76.395","0.004","83.852","0.004","71.694","0.004","1807.8","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,10-phenanthroline-κ^2^N,N')(phenethylmalonate-κ^2^O,O')zinc(II) octahydrate","","- C35 H42 N4 O12 Zn -","- C35 H42 N4 O12 Zn -","- C70 H84 N8 O24 Zn2 -","2","1","YM2012","Sun, Ya-Guang; Ren, Ling; Gao, En-Jun; Liu, Xia; Wang, Chuan-Sheng","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenethylmalonato-κ^2^<i>O</i>,<i>O</i>')zinc(II) octahydrate","Acta Crystallographica Section E","2006","62","10","m2578","m2580","10.1107/S1600536806035987","","","0.71073","MoKα","","0.0665","0.0395","","","0.0775","0.0896","","","","","","1.048","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210845","11.1392","0.001","10.8081","0.001","15.0542","0.001","90","","113.287","0.005","90","","1664.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')dinitratocobalt(II)","","- C14 H14 Co N4 O7 -","- C14 H14 Co N4 O7 -","- C56 H56 Co4 N16 O28 -","4","1","YM2013","Cai-Feng Ding; Mei-Ling Zhang; Xue-Mei Li; Shu-Sheng Zhang","Aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')dinitratocobalt(II)","Acta Crystallographica Section E","2006","62","10","m2540","m2542","10.1107/S1600536806036476","","","0.71073","MoKα","","0.0551","0.0437","","","0.1118","0.119","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210846","12.699","0.003","11.342","0.002","15.023","0.003","90","","92.44","0.03","90","","2161.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-4-phenyl-2-(trimethylsilyloxy)-3,4-dihydro-2H-naphtho[2,3-b]pyran- 5,10-dione","","- C23 H24 O4 Si -","- C23 H24 O4 Si -","- C92 H96 O16 Si4 -","4","1","YM2018","Da-Quan Peng","2-Methyl-4-phenyl-2-(trimethylsilyloxy)-3,4-dihydro-2<i>H</i>-naphtho[2,3-<i>b</i>]pyran-5,10-dione","Acta Crystallographica Section E","2006","62","10","o4706","o4707","10.1107/S1600536806038323","","","0.71073","MoKα","","0.1322","0.0564","","","0.1223","0.1556","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210847","7.4621","0.0004","12.1011","0.0006","13.2757","0.0007","90","","90","","90","","1198.79","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-(2-Chloro-4-fluorophenyl)isocoumarin","3-(2-Chloro-4-fluorophenyl)-1H-isochromen-1-one","","- C15 H8 Cl F O2 -","- C15 H8 Cl F O2 -","- C60 H32 Cl4 F4 O8 -","4","1","YM2022","Muhammad Khalid; Gul Shahzada Khan; Ghulam Qadeer; Nasim Hasan Rama; Wong, Wai-Yeung","3-(2-Chloro-4-fluorophenyl)-1<i>H</i>-isochromen-1-one","Acta Crystallographica Section E","2006","62","10","o4539","o4540","10.1107/S1600536806035999","","","0.71073","MoKα","","0.025","0.025","","","0.069","0.069","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210848","8.434","0.002","7.265","0.002","12.308","0.003","90","","106.976","0.015","90","","721.3","0.3","153.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","5-Methoxytropolone","2-hydroxy-5-methoxy-2,4,6-cycloheptatrien-1-one","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","YM2024","Kubo, Kanji; Yamamoto, Emi; Mori, Akira","5-Methoxytropolone","Acta Crystallographica Section E","2006","62","10","o4325","o4326","10.1107/S1600536806035227","","","1.54187","CuKα","","","0.0317","","","","0.0811","","","","","","1.129","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210849","22.99","0.003","36.609","0.005","3.711","0.003","90","","90","","90","","3123","3","298","2","298","2","","","","","","","","3","F d d 2","F 2 -2d","43","Daphnetin","7,8-dihydroxy-2H-chromen-2-one hemihydrate","","- C9 H7 O4.5 -","- C9 H7 O4.5 -","- C144 H112 O72 -","16","1","AC2044","Yong-Bin Lu; Qi-Tai Zheng; Yang Lu","Redetermination of 7,8-dihydroxy-2<i>H</i>-chromen-2-one hemihydrate","Acta Crystallographica Section E","2006","62","11","o5315","o5316","10.1107/S1600536806036919","","","0.71073","MoKα","","0.0426","0.0425","","","0.1103","0.1104","","","","","","1.078","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210850","6.6686","0.001","13.648","0.003","13.321","0.003","90","","95.794","0.018","90","","1206.2","0.4","295","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dichloro[(5,6,12,13-η)-pentacyclo[8.4.0.0^3,8^.0^4,14^.0^7,11^]tetradeca- 5,12-diene]platinum(II)","","- C14 H16 Cl2 Pt -","- C14 H16 Cl2 Pt -","- C56 H64 Cl8 Pt4 -","4","1","AC2050","Luong Duong; Hristos C. Karanikas; Amanda J. Watson; Markus Etzkorn; Daniel S. Jones","Dichloro[(5,6:12,13-η^4^)-pentacyclo[8.4.0.0^3,8^.0^4,14^.0^7,11^]tetradeca-5,12-diene]platinum(II)","Acta Crystallographica Section E","2006","62","11","m2960","m2962","10.1107/S1600536806041717","","","1.54184","CuKα","","","0.0564","","","","0.1461","","","","","","1.198","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210851","13.6414","0.0018","14.17","0.002","7.9521","0.001","90","","104.113","0.015","90","","1490.7","0.4","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(1,3-Benzothiazol-2-yl)-4,5-dihydroxy-3-phenylimidazolidin-2-one","","- C16 H13 N3 O3 S -","- C16 H13 N3 O3 S -","- C64 H52 N12 O12 S4 -","4","1","AC2051","Olyaei, Abolfazl; Abbasi, Alireza; Ghandi, Mehdi; Salimi, Farshid; Eriksson, Lars","1-(1,3-Benzothiazol-2-yl)-4,5-dihydroxy-3-phenylimidazolidin-2-one","Acta Crystallographica Section E","2006","62","11","o5326","o5327","10.1107/S1600536806044205","","","0.71073","MoKα","","0.047","0.0306","","","0.0764","0.0813","","","","","","0.963","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210852","14.259","0.003","14.935","0.003","8.7829","0.0015","90","","90","","90","","1870.4","0.6","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ethyl 5-(2-hydroxyethylcarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","","- C19 H23 N3 O6 -","- C19 H23 N3 O6 -","- C76 H92 N12 O24 -","4","1","AC2055","Sun, Feng-Xia; Yu, Yi-Feng","Ethyl 5-(2-hydroxyethylcarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","Acta Crystallographica Section E","2006","62","11","o5167","o5168","10.1107/S1600536806043170","","","0.7107","MoKα","","0.0427","0.0396","","","0.1004","0.1029","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210853","5.855","0.001","8.0709","0.0013","24.255","0.004","90","","91.489","0.003","90","","1145.8","0.3","292","2","292","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","(E)-3-Methylstilbene","","- C15 H14 -","- C15 H14 -","- C60 H56 -","4","1","AC2056","Gao, Ling; Peng, Hao; He, Hong-Wu","(<i>E</i>)-3-Methylstilbene","Acta Crystallographica Section E","2006","62","11","o5032","o5033","10.1107/S1600536806041730","","","0.71073","MoKα","","0.1034","0.0661","","","0.1663","0.1855","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210854","8.255","0.002","10.438","0.002","21.11","0.006","90","","90","","90","","1819","0.8","298","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-Bromo-11β-hydroxypregna-1,4,16-triene-3,20-dione","","- C21 H25 Br O3 -","- C21 H25 Br O3 -","- C84 H100 Br4 O12 -","4","1","AC2057","Zhang, Guo-Lin; Peng, Hong-Yun; Sun, Jing","9α-Bromo-11β-hydroxypregna-1,4,16-triene-3,20-dione","Acta Crystallographica Section E","2006","62","11","o5112","o5113","10.1107/S1600536806041754","","","0.71075","MoKα","","","0.0236","","","","0.0513","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210855","13.377","0.004","14.905","0.005","18.376","0.004","90","","90","","90","","3663.9","1.8","298.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sandine","Sandine","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C168 H176 N16 O24 -","8","2","AT2087","Jian-Ming Gu; Xiu-Rong Hu","Sandine: a catharanthus-derived alkaloid","Acta Crystallographica Section E","2006","62","11","o4775","o4777","10.1107/S1600536806035616","","","0.71075","MoKα","","","0.0642","","","","0.1728","","","","","","1.003","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210856","7.1644","0.0009","13.1572","0.0016","15.6765","0.0019","91.008","0.002","99.321","0.002","96.281","0.002","1448.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","3-(6-Chloropyridin-3-ylmethyl)-6-propyl-6,7-dihydro-3<i>H</i>-1,2,3- triazolo[4,5-<i>d</i>]pyrimidin-7-imine","","- C13 H14 Cl N7 -","- C13 H14 Cl N7 -","- C52 H56 Cl4 N28 -","4","2","AT2121","Xiao-Bao Chen; De-Qing Shi","3-(6-Chloropyridin-3-ylmethyl)-6-propyl-6,7-dihydro-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7-imine","Acta Crystallographica Section E","2006","62","11","o4780","o4782","10.1107/S1600536806039171","","","0.71073","MoKα","","0.0774","0.0627","","","0.1742","0.1851","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210857","17.4376","0.0007","16.0715","0.0007","20.6221","0.0008","90","","105.39","0.001","90","","5572.1","0.4","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(O,O'-dicyclohexyldithiophosphato-S,S')bismuth(III) chloroform disolvate","","- C38 H68 Bi Cl6 O6 P3 S6 -","- C38 H68 Bi Cl6 O6 P3 S6 -","- C152 H272 Bi4 Cl24 O24 P12 S24 -","4","1","AT2126","Eey, Stanley Tze Chiang; Lai, Chian Sing; Tiekink, Edward R. T.","Tris(<i>O</i>,<i>O</i>'-dicyclohexyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')bismuth(III) chloroform disolvate","Acta Crystallographica Section E","2006","62","11","m2878","m2880","10.1107/S1600536806040487","","","0.71069","MoKα","","0.082","0.049","","","0.093","0.103","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210858","7.967","0.0016","28.525","0.006","5.724","0.0011","90","","90","","90","","1300.8","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-Bis(4-Chlorophenyl)thiourea","","- C13 H10 Cl N2 S -","- C13 H10 Cl N2 S -","- C52 H40 Cl4 N8 S4 -","4","0.5","AT2127","Yong-Qi Qin; Fang-Fang Jian; Tong-Ling Liang","1,3-Bis(4-chlorophenyl)thiourea","Acta Crystallographica Section E","2006","62","11","o5043","o5044","10.1107/S1600536806040499","","","0.71073","MoKα","","0.1022","0.0611","","","0.1652","0.1872","","","","","","1.1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210859","26.449","0.005","14.078","0.003","11.802","0.002","90","","114.882","0.003","90","","3986.6","1.3","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[1-hydroxypyridine-2(1<i>H</i>)-thionato-κ^2^<i>S</i>,<i>O</i>)(1,10- phenanthrolineκ^2^N,N')copper(II) tetrathionate trihydrate","","- C34 H30 Cu2 N6 O11 S6 -","- C34 H30 Cu2 N6 O11 S6 -","- C136 H120 Cu8 N24 O44 S24 -","4","1","AT2129","Liu, Y.-F; Xia, H.-T; Chen, H.-W; Wang, D.-Q","Bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-sulfidopyridine <i>N</i>-oxide-κ^2^<i>S</i>,<i>O</i>)copper(II)] tetrathionate trihydrate","Acta Crystallographica Section E","2006","62","11","m3089","m3091","10.1107/S1600536806043637","","","0.71073","MoKα","","0.0823","0.0454","","","0.0962","0.1166","","","","","","1.032","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210860","17.108","0.003","7.4848","0.0013","19.203","0.003","90","","100.408","0.003","90","","2418.5","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-[4-(4-Nitrobenzyloxy)-3-methoxybenzylideneamino] -1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one","","- C26 H24 N4 O5 -","- C26 H24 N4 O5 -","- C104 H96 N16 O20 -","4","1","AT2130","Diao, Chun-Hua; Chen, Xin","(<i>E</i>)-4-[3-Methoxy-4-(4-nitrobenzyloxy)benzylideneamino]-1,5-dimethyl-2-phenyl-1,2-dihydro-1<i>H</i>-pyrazol-3(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o5211","o5212","10.1107/S1600536806043613","","","0.71073","MoKα","","0.0971","0.0442","","","0.099","0.123","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210861","17.541","0.001","9.721","0.001","9.843","0.002","90","","92.465","0.002","90","","1676.8","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Azido[2-bromo-4-chloro-6-[2-(diethylamino)ethyliminomethyl]phenolato- κ^3^N,N',O]copper(II)","","- C13 H17 Br Cl Cu N5 O -","- C13 H17 Br Cl Cu N5 O -","- C52 H68 Br4 Cl4 Cu4 N20 O4 -","4","1","AT2132","Jian-Ying Miao","Azido{2-bromo-4-chloro-6-[2-(diethylamino)ethyliminomethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II)","Acta Crystallographica Section E","2006","62","11","m3112","m3114","10.1107/S1600536806043522","","","0.71073","MoKα","","0.0632","0.0363","","","0.0801","0.087","","","","","","0.935","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210862","11.235","0.002","15.973","0.003","9.2501","0.0016","90","","104.483","0.003","90","","1607.2","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(5-bromo-2-hydroxybenzylidene)-3,5-dimethoxybenzohydrazide","","- C16 H15 Br N2 O4 -","- C16 H15 Br N2 O4 -","- C64 H60 Br4 N8 O16 -","4","1","AT2133","Hui-Yan Liu; Hai-Ying Wang; Feng Gao; Zai-Sheng Lu; De-Zhong Niu","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-3,5-dimethoxybenzohydrazide","Acta Crystallographica Section E","2006","62","11","o5259","o5260","10.1107/S1600536806043534","","","0.71073","MoKα","","0.0952","0.0397","","","0.0768","0.0981","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210863","12.094","0.003","19.359","0.004","9.839","0.002","90","","103.61","0.004","90","","2238.9","0.9","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-[2-(4-Chlorobenzyloxy)benzylideneamino] -2,3-dimethyl-1-phenyl-1,2-dihydropyrazol-5-one","","- C25 H22 Cl N3 O2 -","- C25 H22 Cl N3 O2 -","- C100 H88 Cl4 N12 O8 -","4","1","AT2136","Zhang, Qiao-Zhen; Zhao, Yan-Li; Chen, Xin; Yu, Ming","(<i>E</i>)-4-[2-(4-Chlorobenzyloxy)benzylideneamino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o5252","o5254","10.1107/S1600536806043625","","","0.71073","MoKα","","0.1454","0.0629","","","0.1245","0.1607","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210864","8.161","0.003","9.792","0.003","11.228","0.004","108.706","0.005","104.242","0.005","94.628","0.005","811.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(E,E)-4-(Dimethylamino)benzaldehyde O-[3-(3-chlorophenyl)propenoyl]oxime","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C36 H34 Cl2 N4 O4 -","2","1","AT2137","Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Ding, Tie-Zhu","(<i>E</i>,<i>E</i>)-4-(Dimethylamino)benzaldehyde <i>O</i>-[3-(3-chlorophenyl)propenoyl]oxime","Acta Crystallographica Section E","2006","62","11","o5199","o5201","10.1107/S1600536806043741","","","0.71073","MoKα","","0.0967","0.0497","","","0.1066","0.1308","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210865","8.71","0.003","14.72","0.005","14.301","0.005","90","","105.801","0.014","90","","1764.3","1.1","298","1","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ-2,10,15,23-tetramethyl-3,6,9,12,13,16,19,22,25,26,27,28- dodecaazatricyclo[22.2.1.1^11,14^]hexacosa-1(26),2,9,11(28),13,15,22,24(27)- octaene-12,25-diido- 1κ^5^<i>N</i>^13^,<i>N</i>^16^,<i>N</i>^19^,<i>N</i>^22^,<i>N</i>^25^: 2κ^5^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^9^,<i>N</i>^12^,<i>N</i>^26^) bis[diaquamanganese(II)] dichloride hexahydrate","","- C20 H50 Cl2 Mn2 N12 O10 -","- C20 H50 Cl2 Mn2 N12 O10 -","- C40 H100 Cl4 Mn4 N24 O20 -","2","0.5","AT2138","Liang Shen; Yi-Jian Zhang; Guo-Ding Sheng","[μ-2,10,15,23-Tetramethyl-3,6,9,12,13,16,19,22,25,26,27,28-dodecaazatricyclo[22.2.1.1^11,14^]hexacosa-1(26),2,9,11(28),13,15,22,24(27)-octaene-12,25-diido-1κ^5^<i>N</i>^13^,<i>N</i>^16^,<i>N</i>^19^,<i>N</i>^22^,<i>N</i>^25^:2κ^5^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^9^,<i>N</i>^12^,<i>N</i>^26^]bis[diaquamanganese(II)] dichloride hexahydrate","Acta Crystallographica Section E","2006","62","11","m3098","m3100","10.1107/S1600536806043790","","","0.71075","MoKα","","","0.045","","","","0.1755","","","","","","1.003","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210866","13.1327","0.0008","13.8625","0.0007","14.3603","0.0008","87.473","0.002","81.202","0.002","85.87","0.002","2575.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(p-Toluenesulfonato)tris(triphenylarsine)silver(I)","","- C61 H52 Ag As3 O3 S -","- C61 H52 Ag As3 O3 S -","- C122 H104 Ag2 As6 O6 S2 -","2","1","BG2008","Meijboom, Reinout; Janse van Rensburg, J. Marthinus; Senekal, Nadine D.; Venter, Jacobus S.","(<i>p</i>-Toluenesulfonato)tris(triphenylarsine)silver(I)","Acta Crystallographica Section E","2006","62","11","m3056","m3058","10.1107/S1600536806043224","","","0.71073","MoKα","","","0.0236","","","","0.0655","","","","","","1.088","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210867","24.359","0.002","9.2553","0.0008","10.9579","0.0012","90","","90","","90","","2470.5","0.4","113","2","113","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5- dicarboxylic acid 3-benzyl ester 5-tert-butyl ester","3-Benzyl 5-tert-butyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C104 H112 N8 O24 -","4","1","BG2009","Sun, Feng-Xia; Yu, Yi-Feng","3-Benzyl 5-<i>tert</i>-butyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","11","o5125","o5126","10.1107/S1600536806043078","","","0.7107","MoKα","","0.0387","0.0341","","","0.0741","0.076","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210868","15.7886","0.0005","14.1361","0.0003","9.5136","0.0002","90","","97.893","0.004","90","","2103.22","0.09","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaqua(isonicotinato-κ^2^O,O')dysprosium(III)]- di-μ-isonicotinato-κ^4^O:O']","","- C18 H16 Dy N3 O8 -","- C18 H16 Dy N3 O8 -","- C72 H64 Dy4 N12 O32 -","4","0.5","BG2012","Guo-Ming Wang; Bo Xu; Hui-Luan Liu; Qing-Hua Zheng","<i>catena</i>-Poly[[diaqua(isonicotinato-κ^2^<i>O</i>,<i>O</i>')dysprosium(III)]-di-μ-isonicotinato-κ^4^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","11","m2952","m2954","10.1107/S1600536806041559","","","0.71073","MoKα","","0.0466","0.0413","","","0.0935","0.0969","","","","","","1.144","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210869","7.373","0.0015","9.5","0.0019","11.059","0.002","69.78","0.03","89.91","0.03","69.89","0.03","676.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C28 H32 N4 O4 S2 -","2","1","BH2045","Qin, Yong-Qi; Ren, Xiao-Yan; Liang, Tong-Ling; Jian, Fang-Fang","Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2006","62","11","o5215","o5216","10.1107/S1600536806038517","","","0.71073","MoKα","","0.1069","0.0651","","","0.1533","0.1807","","","","","","1.091","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210870","9.736","0.007","13.193","0.009","14.215","0.01","109.439","0.01","108.647","0.01","100.795","0.009","1540.8","1.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","trans-Bis(5,5-Diphenylhydantoinato-N^3^)Bis(furfurylamine)copper(II) Bis(5,5-Diphenylhydantoinatoin)","","- C70 H60 Cu N10 O10 -","- C70 H60 Cu N10 O10 -","- C70 H60 Cu N10 O10 -","1","0.5","BH2048","Hu, Xi-Lan; Xu, Xing-You; Xu, Tong-Tao; Wang, Da-Qi","<i>trans</i>-Bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)bis(furfurylamine-κ<i>N</i>)copper(II) 5,5-diphenylhydantoin disolvate","Acta Crystallographica Section E","2006","62","11","m2974","m2975","10.1107/S1600536806042012","","","0.71073","MoKα","","0.2248","0.0827","","","0.166","0.2411","","","","","","0.984","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210871","9.825","0.001","12.092","0.001","14.66","0.002","90","","100.11","0.01","90","","1714.6","0.3","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1-(4-nitrobenzyl)pyridinium] bis(2,2-dicyanoethylene-1,1-dithiolato-κ^2^S,S')nickel(II)","","- C32 H22 N8 Ni O4 S4 -","- C32 H22 N8 Ni O4 S4 -","- C64 H44 N16 Ni2 O8 S8 -","2","0.5","BH2049","Liu, Ming-Guo; Li, Xiao-Yan; Lin, Li-Fa; Ni, Chun-Lin","Bis[1-(4-nitrobenzyl)pyridinium] bis(2,2-dicyanoethylene-1,1-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","Acta Crystallographica Section E","2006","62","11","m2919","m2921","10.1107/S1600536806041973","","","0.71073","MoKα","","0.1178","0.0536","","","0.0825","0.095","","","","","","0.849","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210872","8.947","0.003","10.183","0.004","11.62","0.004","79.516","0.004","76.753","0.005","88.532","0.004","1013.2","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","trans-Diaquabis(5,5-diphenylhydantoinato-κN^3^)bis(hexamethylenetetraamine- κN)cobalt(II) hemihydrate","","- C42 H51 Co N12 O6.5 -","- C42 H51 Co N12 O6.5 -","- C42 H51 Co N12 O6.5 -","1","0.5","BH2050","Hu, Xi-Lan; Xu, Xing-You; Liu, Hai-Feng; Xu, Tong-Tao; Wang, Da-Qi","<i>trans</i>-Diaquabis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)bis(hexamethylenetetraamine-κ<i>N</i>)cobalt(II) hemihydrate","Acta Crystallographica Section E","2006","62","11","m2976","m2977","10.1107/S1600536806042024","","","0.71073","MoKα","","0.0643","0.0432","","","0.0937","0.1081","","","","","","1.05","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210873","8.977","0.002","5.5467","0.0014","12.562","0.003","90","","97.774","0.004","90","","619.7","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Amino-1-(2-hydroxyethyl)pyrazole","","- C5 H9 N3 O -","- C5 H9 N3 O -","- C20 H36 N12 O4 -","4","1","BH2051","Zhang, Li-Ming; He, Zhi-Min","5-Amino-1-(2-hydroxyethyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2006","62","11","o5108","o5109","10.1107/S1600536806042061","","","0.71073","MoKα","","0.0453","0.0324","","","0.0802","0.0872","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210874","6.9803","0.0004","17.5191","0.0009","26.9377","0.0014","90","","90","","90","","3294.2","0.3","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-4-[(4-Bromobenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Br N3 O -","- C18 H16 Br N3 O -","- C144 H128 Br8 N24 O8 -","8","1","BH2054","Yang, Guo-Bing; Zheng, Yun-Fa; Zhang, Chun-Niu; Yang, Ming-Hua","(<i>E</i>)-4-[(4-Bromobenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o5328","o5329","10.1107/S1600536806044540","","","0.71073","MoKα","","0.0812","0.0507","","","0.106","0.1134","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210875","19.975","0.005","12.764","0.005","22.241","0.005","90","","104.93","0.005","90","","5479","3","293","2","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Carbonyl[tris(2,3,4,5,6-pentafluorophenyl)phosphine-κP](8- hydroxyquinolinato-κ^2^N,O)rhodium(I)","","- C28 H6 F15 N O2 P Rh -","- C28 H6 F15 N O2 P Rh -","- C224 H48 F120 N8 O16 P8 Rh8 -","8","1","BI2048","Janse van Rensburg, J. Marthinus; Roodt, Andreas","Carbonyl(8-hydroxyquinolinato-κ^2^<i>N</i>,<i>O</i>)[tris(2,3,4,5,6-pentafluorophenyl)phosphine-κ<i>P</i>]rhodium(I)","Acta Crystallographica Section E","2006","62","11","m2981","m2983","10.1107/S1600536806040190","","","0.71069","MoKα","","","0.0386","","","","0.0791","","","","","","0.937","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210876","34.945","0.005","17.307","0.005","17.778","0.005","90","","90","","90","","10752","5","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Carbonyl[tris(2,4-di-<i>tert</i>-butylphenyl)phosphite](8-hydroxyquinolinato) rhodium(I) acetone hemisolvate","","- C53.5 H72 N O5.5 P Rh -","- C53.5 H72 N O5.5 P Rh -","- C428 H576 N8 O44 P8 Rh8 -","8","1","BI2052","Janse van Rensburg, J. Marthinus; Roodt, Andreas; Muller, Alfred","Carbonyl(8-hydroxyquinolinato)[tris(2,4-di-<i>tert</i>-butylphenyl)phosphite]rhodium(I) acetone hemisolvate","Acta Crystallographica Section E","2006","62","11","m2978","m2980","10.1107/S1600536806040189","","","0.71073","MoKα","","","0.0389","","","","0.1295","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210877","9.8322","0.0019","12.109","0.002","17.141","0.003","90","","90","","90","","2040.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(5-methyl-3-phenylpyrazol-1-yl)propan-2-ol","","- C23 H24 N4 O -","- C23 H24 N4 O -","- C92 H96 N16 O4 -","4","1","BI2064","Zhang, Guo-Fang; Yin, Mai-Hua; Dou, Yin-Li; Zhao, Shu-Min; Liu, Hui-Qin","1,3-Bis(5-methyl-3-phenylpyrazol-1-yl)propan-2-ol","Acta Crystallographica Section E","2006","62","11","o4812","o4813","10.1107/S1600536806038220","","","0.71073","MoKα","","0.0912","0.0583","","","0.1518","0.1721","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210878","6.5776","0.0004","11.2455","0.0008","20.2612","0.0011","90","","101.4","0.004","90","","1469.12","0.16","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Chloro-2-[(4-phenyl-thiazol-2-yl)-hydrazonomethyl]-phenol","","- C16 H12 Cl N3 O S -","- C16 H12 Cl N3 O S -","- C64 H48 Cl4 N12 O4 S4 -","4","1","BI2071","Nezihe Çalışkan; Cemile Daĝ; Çiĝdem Yüksektepe; Alaaddin Çukurovalı; Ebru Murat","The α polymorph of 4-chloro-2-[(4-phenyl-thiazol-2-yl)hydrazonomethyl]phenol","Acta Crystallographica Section E","2006","62","11","o4889","o4890","10.1107/S1600536806040529","","","0.71073","MoKα","","0.0506","0.0343","","","0.0816","0.087","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210879","15.699","0.005","13.915","0.004","23.465","0.007","90","","106.472","0.005","90","","4916","3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tetraphenylarsonium diiododiisothiocyanatocobaltate(II)","","- C50 H40 As2 Co I2 N2 S2 -","- C50 H40 As2 Co I2 N2 S2 -","- C200 H160 As8 Co4 I8 N8 S8 -","4","0.5","BI2072","R. S. Prasad; S. S. Singh; Shailesh Upreti; N. K. Jha; A. Ramanan","Tetraphenylarsonium diiododiisothiocyanatocobaltate(II)","Acta Crystallographica Section E","2006","62","11","m2990","m2991","10.1107/S1600536806042565","","","0.71073","MoKα","","0.0788","0.0651","","","0.2049","0.2166","","","","","","1.082","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210881","16.0667","0.0011","11.8316","0.0009","20.262","0.0014","90","","93.925","0.002","90","","3842.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis{<i>N'</i>-[4-(quinolin-8-yloxy)butanoyl]benzohydrazide} trihydrate","","- C20 H22 N3 O4.5 -","- C20 H22 N3 O4.5 -","- C160 H176 N24 O36 -","8","2","BI2074","Ze-Bao Zheng; Ren-Tao Wu; Ji-Kun Li; Yi-Feng Sun","<i>N</i>'-[4-(Quinolin-8-yloxy)butanoyl]benzohydrazide sesquihydrate","Acta Crystallographica Section E","2006","62","11","o4882","o4883","10.1107/S1600536806040530","","","0.71073","MoKα","","0.0582","0.0373","","","0.1197","0.1409","","","","","","0.951","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210882","6.7173","0.0001","22.2902","0.0005","7.8542","0.0002","90","","101.711","0.002","90","","1151.53","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-dimethyl-4'-nitrobiphenyl","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","BI2075","Kolehmainen, Erkki; Nikiforov, Vladimir; Troshin, Konstantin; Valkonen, Arto","2,5-Dimethyl-4'-nitrobiphenyl","Acta Crystallographica Section E","2006","62","11","o4989","o4990","10.1107/S1600536806040955","","","1.54184","CuKα","","0.0499","0.0441","","","0.1178","0.1233","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210883","7.4122","0.0012","11.2752","0.0018","32.189","0.005","90","","90","","90","","2690.2","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-3-(2-Chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C128 H104 Cl8 O16 -","8","1","BI2076","Qiu, Xiao-Yang; Ma, Ji-Long","(<i>E</i>)-3-(2-Chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o5041","o5042","10.1107/S1600536806041456","","","0.71073","MoKα","","0.0804","0.0424","","","0.1064","0.1268","","","","","","1.021","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210884","8.833","0.002","17.012","0.003","13.868","0.003","90","","90","","90","","2083.9","0.7","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","trans-Bis(6-amino-6-methylperhydro-1,4-diazepine)zinc bis(perchlorate)","","- C12 H30 Cl2 N6 O8 Zn -","- C12 H30 Cl2 N6 O8 Zn -","- C48 H120 Cl8 N24 O32 Zn4 -","4","0.25","BI2077","Bortoluzzi, Adailton J.; Neves, Ademir; Terra, Geovana G.","<i>trans</i>-Bis(6-amino-6-methylperhydro-1,4-diazepine)zinc(II) bis(perchlorate)","Acta Crystallographica Section E","2006","62","11","m2965","m2966","10.1107/S1600536806041936","","","0.71073","MoKα","","0.0448","0.0316","","","0.078","0.0827","","","","","","1.067","","","","has coordinates,has Fobs","206165","2020-10-21","18:00:00",""
"2210885","10.2044","0.0006","11.5646","0.0007","11.8815","0.0007","64.856","0.001","82.599","0.001","72.073","0.001","1207.64","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4'-(4-Chlorophenyl)-1'-methyl- indan-2-spiro-2'-pyrrolidine-3'-spiro-2''(1''H)-carbazole-1,3,3''(4''H)-trione","","- C30 H23 Cl N2 O3 -","- C30 H23 Cl N2 O3 -","- C60 H46 Cl2 N4 O6 -","2","1","BI2078","B. K. Satis Kumar; D. Gayathri; D. Velmurugan; K. Ravikumar; G. Periyasami","4'-(4-Chlorophenyl)-1'-methylindan-2-spiro-2'-pyrrolidine-3'-spiro-2''(1''<i>H</i>)-carbazole-1,3,3''(4''<i>H</i>)-trione","Acta Crystallographica Section E","2006","62","11","o5075","o5077","10.1107/S1600536806041596","","","0.71073","MoKα","","0.0507","0.0442","","","0.1236","0.1301","","","","","","0.957","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210886","6.932","0.0002","7.4993","0.0002","9.0751","0.0002","80.522","0.002","70.068","0.002","87.206","0.002","437.44","0.02","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","(1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diacetato)nickel(II)","","- C16 H28 N2 Ni O8 -","- C16 H28 N2 Ni O8 -","- C16 H28 N2 Ni O8 -","1","0.5","BI2080","Duriska, Martin B.; Batten, Stuart R.","(1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diacetato)nickel(II)","Acta Crystallographica Section E","2006","62","11","m2930","m2931","10.1107/S1600536806042103","","","0.71073","MoKα","","0.0307","0.0286","","","0.0653","0.067","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210887","6.8973","0.0005","7.5264","0.0005","9.1052","0.0007","79.851","0.002","69.746","0.002","86.44","0.002","436.5","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","(1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diacetato)cobalt(II)","","- C16 H28 Co N2 O8 -","- C16 H28 Co N2 O8 -","- C16 H28 Co N2 O8 -","1","0.5","BI2082","Duriska, Martin B.; Batten, Stuart R.","(1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diacetato)cobalt(II)","Acta Crystallographica Section E","2006","62","11","m2928","m2929","10.1107/S1600536806042097","","","0.71073","MoKα","","0.0259","0.025","","","0.0571","0.0576","","","","","","1.051","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210888","43.007","0.003","5.9744","0.0004","5.1137","0.0003","90","","90","","90","","1313.92","0.15","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(2E)-1-(4-Bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one","","- C15 H10 Br N O3 -","- C15 H10 Br N O3 -","- C60 H40 Br4 N4 O12 -","4","1","BM2006","Harrison, William T. A.; Yathirajan, H. S.; Narayana, B.; Sreevidya, T. V.; Sunil, K.","(2<i>E</i>)-1-(4-Bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o4829","o4831","10.1107/S1600536806039900","","","0.71073","MoKα","","0.0373","0.027","","","0.0543","0.0578","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210890","8.0061","0.001","22.639","0.0019","11.8202","0.0008","90","","109.607","0.007","90","","2018.2","0.3","298","2","296","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloro{bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-κ^3^N,N',N''}palladium(II) chloride dihydrate","","- C14 H27 Cl2 N5 O2 Pd -","- C14 H27 Cl2 N5 O2 Pd -","- C56 H108 Cl8 N20 O8 Pd4 -","4","1","BR2016","Mendoza, María de los Angeles; Bernès, Sylvain; Mendoza-Díaz, Guillermo","{Bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}chloropalladium(II) chloride dihydrate","Acta Crystallographica Section E","2006","62","11","m2934","m2936","10.1107/S1600536806041985","","","0.71073","MoKα","","0.0322","0.0268","","","0.0684","0.0718","","","","","","0.943","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210891","14.4587","0.0012","14.4275","0.001","19.0072","0.0013","90","","90","","90","","3965","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 4-[4-(2-methoxy-2-oxoethoxy)phenyl]-2,6-dimethyl- 1,4-dihydropyridine-3,5-dicarboxylate","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C160 H184 N8 O56 -","8","1","BT2190","Sundar, T. V.; Parthasarathi, V.; Bansal, Ranju; Zoufalá, Petra; Lang, H.","Dimethyl 4-[4-(2-methoxy-2-oxoethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","11","o4963","o4965","10.1107/S160053680604089X","","","0.71073","MoKα","","0.0704","0.0506","","","0.1182","0.1334","","","","","","1.091","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210892","11.967","0.007","7.041","0.004","20.947","0.01","90","","109.34","0.03","90","","1665.4","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{[(1E)-(5-Chloro-2-hydroxyphenyl)methylene]amino}-1,5-dimethyl- 2-phenyl-3H-pyrazol-3(2H)-one","","- C18 H16 Cl N3 O2 -","- C18 H16 Cl N3 O2 -","- C72 H64 Cl4 N12 O8 -","4","1","BT2191","Ding-Ben Chen; Ling Huang","4-{[(1<i>E</i>)-(5-Chloro-2-hydroxyphenyl)methylene]amino}-1,5-dimethyl-2-phenyl-3<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o4853","o4854","10.1107/S1600536806039870","","","0.71073","MoKα","","0.1171","0.0706","","","0.1579","0.1876","","","","","","1.077","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210893","17.797","0.002","10.3032","0.0007","14.2799","0.0014","90","","111.251","0.01","90","","2440.4","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,4-bis(4-fluorophenyl)-1,2,5-oxadiazole 2-oxide","","","- C14 H8 F2 N2 O2 -","- C14 H8 F2 N2 O2 -","- C112 H64 F16 N16 O16 -","8","2","BT2192","Christian Peifer; Mohammed Abadleh; Schollmeyer, Dieter; Stefan Laufer","3,4-Bis(4-fluorophenyl)-1,2,5-oxadiazole 2-oxide","Acta Crystallographica Section E","2006","62","11","o4827","o4828","10.1107/S1600536806040049","","","1.54178","CuKα","","0.1057","0.0738","","","0.2025","0.2317","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210894","15.4858","0.0008","9.1887","0.0005","35.0089","0.0019","90","","96.568","0.002","90","","4948.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(η^6^-<i>p</i>-Cymene)(triphenylphosphine)ruthenium(II) dichloride","","- C28 H29 Cl2 P Ru -","- C28 H29 Cl2 P Ru -","- C224 H232 Cl16 P8 Ru8 -","8","2","BT2193","Elsegood, Mark R.J.; Smith, Martin B.; Sanchez-Ballester, Noelia M.","Dichloro(η^6^-<i>p</i>-cymene)(triphenylphosphine)ruthenium(II)","Acta Crystallographica Section E","2006","62","11","m2838","m2840","10.1107/S1600536806039869","","","0.71073","MoKα","","0.0418","0.0282","","","0.0601","0.0666","","","","","","1.061","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210895","8.8787","0.0009","12.2644","0.0012","12.3537","0.0013","109.28","0.012","104.493","0.012","102.541","0.012","1161.3","0.3","293","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[(2,2'-bipyridine-κ^2^N,N')-praseodymium(III)]- μ-dichloroacetate-1κ^2^O:O':2κO-di-μ-dichloroacetato-κ^4^O:O']","","- C16 H11 Cl6 N2 O6 Pr -","- C16 H11 Cl6 N2 O6 Pr -","- C32 H22 Cl12 N4 O12 Pr2 -","2","1","BT2196","Rohde, Alexander; Urland, Werner","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')-praseodymium(III)]-μ-dichloroacetate-1κ^2^<i>O</i>:<i>O</i>':2κ<i>O</i>-di-μ-dichloroacetato-κ^4^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","11","m2843","m2845","10.1107/S160053680603995X","","","0.71073","MoKα","","0.0422","0.0331","","","0.0756","0.0786","","","","","","0.974","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210896","7.0333","0.0005","29.534","0.002","9.1257","0.0006","90","","104.757","0.001","90","","1833.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[4-oxo-4-(2,4,6-trimethoxy­phenyl)but-1-yl]pyrrolidinium hydrochloride","","- C17 H26 Cl N O4 -","- C17 H26 Cl N O4 -","- C68 H104 Cl4 N4 O16 -","4","1","BT2197","Krishnan Ravikumar; Balasubramanian Sridhar","Buflomedil hydrochloride, a vasodilator drug","Acta Crystallographica Section E","2006","62","11","o4832","o4834","10.1107/S1600536806040025","","","0.71073","MoKα","","0.0498","0.0451","","","0.1203","0.1231","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210897","5.4341","0.0002","7.8324","0.0002","46.6831","0.001","90","","90","","90","","1986.93","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(4R)-4-Hydroxy-1-[(2S)-2-hydroxydodecyl]-L-proline monohydrate","","","- C17 H35 N O5 -","- C17 H35 N O5 -","- C68 H140 N4 O20 -","4","1","BT2198","Christian Peifer; Oliver Werz; Daniel Poeckel; Schollmeyer, Dieter; Stefan Laufer","(4<i>R</i>)-4-Hydroxy-1-[(2<i>S</i>)-2-hydroxydodecyl]-<small>L</small>-proline monohydrate","Acta Crystallographica Section E","2006","62","11","o5138","o5140","10.1107/S1600536806042930","","","1.54178","CuKα","","0.058","0.0467","","","0.1266","0.1443","","","","","","1.075","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210898","9.1539","0.0018","10.825","0.002","12.521","0.003","82.013","0.004","77.688","0.004","73.75","0.004","1159.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Benzylpyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickel(III)","","- C18 H12 N Ni S10 -","- C18 H12 N Ni S10 -","- C36 H24 N2 Ni2 S20 -","2","1","BT2199","Guo-Zhong Yang; Li Yao; Xue-Yu Cui","<i>N</i>-Benzylpyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickel(III)","Acta Crystallographica Section E","2006","62","11","m2963","m2964","10.1107/S1600536806042140","","","0.71073","MoKα","","0.0722","0.0433","","","0.0768","0.0831","","","","","","0.922","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210899","7.591","0.005","25.808","0.018","17.216","0.012","90","","92.823","0.008","90","","3369","4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2,6-Dichlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H15 Cl2 N3 O -","- C18 H15 Cl2 N3 O -","- C144 H120 Cl16 N24 O8 -","8","2","BT2200","Yun-Fa Zheng; Guo-Bing Yan; Yong-Bing Gu","4-(2,6-Dichlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o5134","o5135","10.1107/S1600536806042887","","","0.71073","MoKα","","0.1287","0.0936","","","0.2813","0.3294","","","","","","1.16","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210900","11.2081","0.0007","15.0744","0.0011","23.622","0.0016","90","","90.315","0.008","90","","3991","0.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[(η^6^-C~6~Me~6~)~2~Ru~2~(μ~2~-Cl)(μ~2~-H)(μ~2~-PPh~2~)][BF~4~]","","- C42 H52 B F4 O P Ru2 S -","- C42 H52 B F4 O P Ru2 S -","- C168 H208 B4 F16 O4 P4 Ru8 S4 -","4","1","BT2201","Tschan, Mathieu Jean-Luc; Chérioux, Frédéric; Therrien, Bruno; Karmazin-Brelot, Lydia; Süss-Fink, Georg","(μ-Diphenylphosphido-κ<i>P</i>:<i>P</i>)-μ-hydrido-(μ-4-hydroxybenzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis[(η^6^-hexamethylbenzene)ruthenium(II)] tetrafluoroborate","Acta Crystallographica Section E","2006","62","11","m2916","m2918","10.1107/S1600536806041146","","","0.71073","MoKα","","0.064","0.0322","","","0.0575","0.0617","","","","","","0.811","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210901","11.8937","0.0013","7.9224","0.0009","17.5571","0.0019","90","","97.299","0.002","90","","1640.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3'-Nitro-4'-phenylspiro[1H-indole-3,2'-pyrrolidin]-2-one","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C72 H68 N12 O12 -","4","1","BT2202","S. Selvanayagam; D. Velmurugan; K. Ravikumar; M. Poornachandran; R. Raghunathan","3'-Nitro-4'-phenylspiro[1<i>H</i>-indole-3,2'-pyrrolidin]-2-one","Acta Crystallographica Section E","2006","62","11","o5072","o5074","10.1107/S1600536806041870","","","0.71073","MoKα","","0.0914","0.07","","","0.1634","0.1765","","","","","","1.069","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210902","10.0451","0.0003","9.4978","0.0002","18.5293","0.0006","90","","90","","90","","1767.81","0.09","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Fluoro-1H-indole-2-carbohydrazide","","- C9 H8 F N3 O -","- C9 H8 F N3 O -","- C72 H64 F8 N24 O8 -","8","1","BT2203","Harrison, William T. A.; Yathirajan, H. S.; Ashalatha, B. V.; Vijaya Raj, K. K.; Narayana, B.","5-Fluoro-1<i>H</i>-indole-2-carbohydrazide","Acta Crystallographica Section E","2006","62","11","o4986","o4988","10.1107/S1600536806040943","","","0.71073","MoKα","","0.0389","0.032","","","0.0839","0.0886","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210903","7.549","0.002","8.462","0.003","13.788","0.004","90","","93.301","0.006","90","","879.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[1-(2-Hydroxyethyl)imidazolidin-2-ylidene]malononitrile","","- C8 H10 N4 O -","- C8 H10 N4 O -","- C32 H40 N16 O4 -","4","1","BT2204","Yu, Chu-Yi; Gao, Hong-Yun; Qiao, Yan","[1-(2-Hydroxyethyl)imidazolidin-2-ylidene]malononitrile","Acta Crystallographica Section E","2006","62","11","o5114","o5115","10.1107/S1600536806042437","","","0.71073","MoKα","","0.1069","0.0471","","","0.1055","0.1279","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210904","6.7912","0.0012","3.8852","0.0008","22.113","0.004","90","","95.999","0.009","90","","580.26","0.19","294","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","N'-(2-Chlorobenzylidene)pyrazine-2-carbohydrazide","","- C12 H9 Cl N4 O -","- C12 H9 Cl N4 O -","- C24 H18 Cl2 N8 O2 -","2","1","BT2206","Xue-Fang Shi; Cui-Cui Yuan","<i>N</i>'-(2-Chlorobenzylidene)pyrazine-2-carbohydrazide","Acta Crystallographica Section E","2006","62","11","o5232","o5233","10.1107/S1600536806043212","","","0.7107","MoKα","","0.0561","0.0421","","","0.1223","0.1645","","","","","","0.995","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210905","4.5281","0.0003","17.1059","0.0011","18.4277","0.0012","90","","94.263","0.002","90","","1423.41","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Bromophenyl)-3-(4-methylbenzoyl)thiourea","","- C15 H13 Br N2 O S -","- C15 H13 Br N2 O S -","- C60 H52 Br4 N8 O4 S4 -","4","1","BT2207","Saeed, Aamer; Flörke, Ulrich","1-(4-Bromophenyl)-3-(4-methylbenzoyl)thiourea","Acta Crystallographica Section E","2006","62","11","o5036","o5037","10.1107/S1600536806042309","","","0.71073","MoKα","","0.0458","0.0335","","","0.0754","0.08","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210906","12.296","0.005","12.635","0.005","14.067","0.005","91.085","0.005","109.57","0.005","103.076","0.005","1995.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","3-bromo-2-(methoxyethoxy)-2-phenyl-1-cyclohexanone oxime","3-Bromo-5-tert-butyl-2-(methoxyethoxy)-2-phenylcyclohexanone oxime","","- C19 H28 Br N O3 -","- C19 H28 Br N O3 -","- C76 H112 Br4 N4 O12 -","4","2","BT2208","M. Periasamy; S. Athimoolam; A. Ponnuswamy; S. Natarajan","3-Bromo-5-<i>tert</i>-butyl-2-(methoxyethoxy)-2-phenylcyclohexanone oxime","Acta Crystallographica Section E","2006","62","11","o5220","o5222","10.1107/S1600536806043236","","","0.71069","MoKα","","0.0781","0.0328","","","0.0802","0.0998","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210907","5.1267","0.0008","8.7271","0.0014","9.962","0.0016","106.035","0.013","98.723","0.013","104.061","0.013","403.93","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","3-(5-Methylfuran-2-yl)propanoic acid","","- C8 H10 O3 -","- C8 H10 O3 -","- C16 H20 O6 -","2","1","BT2209","Frey, Wolfgang; Grundl, Li; Hashmi, A. Stephen K.","3-(5-Methylfuran-2-yl)propanoic acid","Acta Crystallographica Section E","2006","62","11","o5276","o5277","10.1107/S1600536806043145","","","0.71073","MoKα","","0.0614","0.0533","","","0.1607","0.1685","","","","","","1.117","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210908","5.667","0.0009","9.8516","0.0016","25.447","0.004","90","","90","","90","","1420.7","0.4","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-D-1,2:5,6-Di-O-isopropylidene-3-O-methyl-<i>chiro</i>- inositol","","- C13 H22 O6 -","- C13 H22 O6 -","- C52 H88 O24 -","4","1","BT2210","Gainsford, Graeme J.; Lensink, Cees; Falshaw, Andrew","1<small>D</small>-1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-methyl-<i>chiro</i>-inositol","Acta Crystallographica Section E","2006","62","11","o5104","o5105","10.1107/S1600536806042292","","","0.71073","MoKα","","0.0613","0.043","","","0.0971","0.1028","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210909","10.686","0.005","27.285","0.013","19.169","0.009","90","","104.777","0.009","90","","5404","4","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Aqua(pyridine-2,6-dicarboxylato-κ^3^N,O,O')(1,10-phenanthroline- κ^2^N,N')nickel(II)] monohydrate","","- C19 H15 N3 Ni O6 -","- C19 H15 N3 Ni O6 -","- C228 H180 N36 Ni12 O72 -","12","3","BV2034","Palani Ramadevi; Sudalaiandi Kumaresan; Neeraj Sharma","Aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')nickel(II) monohydrate","Acta Crystallographica Section E","2006","62","11","m2957","m2959","10.1107/S1600536806040220","","","0.71073","MoKα","","","0.0342","","","","0.0814","","","","","","0.944","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210910","10.843","0.0016","9.4644","0.0008","17.101","0.002","90","","96.101","0.012","90","","1745","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[3,3-di-{N-(propan-2-imine)oxy}-3H-isoindol-1-amine-κ^2^N,N']nickel(II) dinitrate","","- C28 H36 N10 Ni O10 -","- C28 H36 N10 Ni O10 -","- C56 H72 N20 Ni2 O20 -","2","0.5","BV2035","Kopylovich, Maximilian N.; Luzyanin, Konstantin V.; Haukka, Matti; Pombeiro, Armando J. L.; Kukushkin, Vadim Yu.","Bis[1,1-bis(propan-2-iminooxy)-1<i>H</i>-isoindol-3-amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']nickel(II) dinitrate","Acta Crystallographica Section E","2006","62","11","m2846","m2848","10.1107/S1600536806040219","","","0.71073","MoKα","","0.0642","0.0503","","","0.1284","0.1425","","","","","","1.103","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210911","6.3197","0.0011","6.9904","0.0011","7.5711","0.0013","84.764","0.013","69.546","0.013","67.036","0.012","288.15","0.09","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","Pyridin-4-ylmethanediol","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C12 H14 N2 O4 -","2","1","BV2038","Deborah Gonzalez Mantero; Muhammad Altaf; Antonia Neels; Helen Stoeckli-Evans","Pyridin-4-ylmethanediol: the hydrated form of isonicotinaldehyde","Acta Crystallographica Section E","2006","62","11","o5204","o5206","10.1107/S1600536806043303","","","0.71073","MoKα","","0.0419","0.0364","","","0.1015","0.1042","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210912","12.1186","0.0015","10.8172","0.0013","12.8606","0.0016","90","","94.88","0.002","90","","1679.8","0.4","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzylidene-2-(isopropylamino)-1-phenyl-imidazolin-5(4H)-one ?","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","BX2029","Shao-Fa Sun","4-Benzylidene-2-(isopropylamino)-1-phenylimidazolin-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o5130","o5131","10.1107/S1600536806042541","","","0.71073","MoKα","","0.0651","0.0493","","","0.1402","0.1484","","","","","","1.108","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210913","8.8747","0.0006","15.4381","0.0013","10.8315","0.0007","90","","109.529","0.005","90","","1398.64","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N O6 -","- C16 H11 N O6 -","- C64 H44 N4 O24 -","4","1","BX2031","Hussain, Mukhtiar; Hanif, Mohammad; Ali, Saqib; Altaf, Muhammad; Stoeckli-Evans, Helen","(<i>E</i>)-3-(6-Nitrobenzo[<i>d</i>][1,3]dioxol-5-yl)-2-phenylacrylic acid","Acta Crystallographica Section E","2006","62","11","o5020","o5021","10.1107/S1600536806040724","","","0.71073","MoKα","","0.0538","0.0413","","","0.1057","0.1118","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210914","6.1","0.0012","9.634","0.0019","17.302","0.004","90","","90","","90","","1016.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-3-Hydroxy-N,N-dimethyl-3-(2-thienyl)propanamine","","- C9 H15 N O S -","- C9 H15 N O S -","- C36 H60 N4 O4 S4 -","4","1","CF2028","Xiao Tao; Xu Bin; Hong-Jun Zhu; Lin Yuan; Wang, Jin-Tang","(<i>R</i>)-3-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-3-(2-thienyl)propanamine","Acta Crystallographica Section E","2006","62","11","o5202","o5203","10.1107/S1600536806042711","","","0.71073","MoKα","","0.0535","0.0421","","","0.1186","0.1309","","","","","","0.899","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210915","7.9369","0.0008","23.343","0.002","7.9678","0.0009","90","","119.385","0.002","90","","1286.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N6 O2 -","- C13 H10 N6 O2 -","- C52 H40 N24 O8 -","4","1","CF2044","Xu, Shi-Hai; Li, Yu-Xia; Liao, Xiao-Jian; Dong, Fang-Fang","Bis(benzotriazol-1-yloxy)methane","Acta Crystallographica Section E","2006","62","11","o4981","o4982","10.1107/S160053680604061X","","","0.71073","MoKα","","0.0992","0.0405","","","0.0824","0.0988","","","","","","1.008","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210916","10.953","0.001","15.6","0.001","14.422","0.001","90","","104.564","0.007","90","","2385.1","0.3","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2,2'-bipyridine-κ^2^N,N')(nitrato-κ^2^O,O')cobalt(II) iodide tetrahydrate","","- C20 H24 Co I N5 O7 -","- C20 H24 Co I N5 O7 -","- C80 H96 Co4 I4 N20 O28 -","4","0.5","CF2049","Ivaniková, Radoslava; Svoboda, Ingrid; Mašlejová, Anna; Papánková, Blažena; Fuess, Hartmut","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) iodide tetrahydrate","Acta Crystallographica Section E","2006","62","11","m3024","m3025","10.1107/S1600536806043169","","","0.71073","MoKα","","0.0802","0.0666","","","0.2071","0.2246","","","","","","1.151","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210917","4.845","0.002","8.348","0.004","11.808","0.006","109.015","0.006","91.841","0.005","99.284","0.006","443.8","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","(E)-3-(4-methoxyphenyl)prop-2-enoic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C20 H20 O6 -","2","1","CF2053","Yang, Shu-Ping; Han, Li-Jun; Xia, Hai-Tao; Wang, Da-Qi","Hydrogen-bonded chains of rings in (<i>E</i>)-4-methoxycinnamic acid","Acta Crystallographica Section E","2006","62","11","o5141","o5143","10.1107/S1600536806042735","","","0.71073","MoKα","","0.0615","0.0446","","","0.113","0.1324","","","","","","1.017","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210918","3.9712","0.0001","11.7738","0.0004","27.7962","0.001","90.748","0.002","91.268","0.002","96.492","0.002","1290.83","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","chalcone","(2E)-3-(2,4-dichlorophenyl)-1-phenylprop-2-en-1-one","","- C15 H10 Cl2 O -","- C15 H10 Cl2 O -","- C60 H40 Cl8 O4 -","4","2","CF2055","Phukan, Manisha; Phukan, Prodeep; Chakrabarty, Rajesh; Sarma, Barindra Kumar","2',4'-Dichlorochalcone","Acta Crystallographica Section E","2006","62","11","o5056","o5057","10.1107/S1600536806040621","","","0.71073","MoKα","","0.1184","0.0643","","","0.1615","0.1892","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210919","8.097","0.005","10.855","0.007","10.855","0.007","72.18","0.01","73.52","0.01","73.52","0.01","850.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[4-methyl-1-(4-nitrobenzyl)pyridinium)] bis(1,2,5-thiadiazole-3,4-dithiolato)nickelate(II)","","- C30 H26 N8 Ni O4 S6 -","- C30 H26 N8 Ni O4 S6 -","- C30 H26 N8 Ni O4 S6 -","1","0.5","CF2056","Ming-Guo Liu; Chun-Lin Ni","Bis[4-methyl-1-(4-nitrobenzyl)pyridinium] bis(1,2,5-thiadiazole-3,4-dithiolato)nickelate(II)","Acta Crystallographica Section E","2006","62","11","m3039","m3041","10.1107/S1600536806042760","","","0.71073","MoKα","","0.1292","0.0682","","","0.1112","0.1231","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210920","6.438","0.0013","31.803","0.006","9.265","0.0019","90","","109.08","0.03","90","","1792.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(4-Chlorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiazolidin- 4-one","","- C18 H14 Cl N3 O2 S2 -","- C18 H14 Cl N3 O2 S2 -","- C72 H56 Cl4 N12 O8 S8 -","4","1","CF2057","Wan, Rong; Guan, Jianning; Han, Feng; Wu, Feng; Wang, Jin-Tang","2-(4-Chlorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiazolidin-4-one","Acta Crystallographica Section E","2006","62","11","o5274","o5275","10.1107/S1600536806042772","","","0.71073","MoKα","","0.0897","0.0518","","","0.1146","0.1372","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210921","14.549","0.004","7.5683","0.0018","14.342","0.003","90","","104.771","0.003","90","","1527","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[chlorocopper(I)]-μ-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol- 1-yl)propan-2-ol-κ^2^N:N']]","","- C13 H12 Cl Cu F2 N6 O -","- C13 H12 Cl Cu F2 N6 O -","- C52 H48 Cl4 Cu4 F8 N24 O4 -","4","1","CF2058","Yun Gong; Chang-Wen Hu; Zhi-Ning Xia","<i>catena</i>-Poly[[chlorocopper(I)]-μ-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol-κ^2^<i>N</i>:<i>N</i>']]","Acta Crystallographica Section E","2006","62","11","m2997","m2999","10.1107/S1600536806042826","","","0.71073","MoKα","","0.0433","0.0286","","","0.0642","0.0729","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210922","19.7925","0.0015","5.3686","0.0004","14.5981","0.0011","90","","108.937","0.001","90","","1467.21","0.19","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-allyl-N-(p-tolylsulfonyl)-acrylamide","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","CI2172","Hu, Yi-Min; Qu, Yuan; Wu, Feng-Hua; Chen, Dong; Zhang, Xia","<i>N</i>-Allyl-<i>N</i>-(<i>p</i>-tolylsulfonyl)acrylamide","Acta Crystallographica Section E","2006","62","11","o4948","o4949","10.1107/S1600536806041493","","","0.71073","MoKα","","0.0814","0.0602","","","0.1306","0.1366","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210923","13.7203","0.0003","4.6599","0.0001","19.1552","0.0005","90","","97.736","0.001","90","","1213.55","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzyl-o-vanillin","2-Benzyloxy-3-methoxybenzaldehyde (benzyl-o-vanillin)","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","CI2177","Mohammed H. Al-Douh; Shafida A. Hamid; Hasnah Osman; Shea-Lin Ng; Hoong-Kun Fun","2-Benzyloxy-3-methoxybenzaldehyde (benzyl-<i>o</i>-vanillin)","Acta Crystallographica Section E","2006","62","11","o4768","o4770","10.1107/S1600536806039250","","","0.71073","MoKα","","0.0723","0.0512","","","0.148","0.1866","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210924","15.742","0.004","13.292","0.004","7.718","0.003","90","","91.14","0.02","90","","1614.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-5,7-dimethyl[1,3]oxazolo[3,2-a]pyrimidin-4-ium perchlorate","","- C14 H12 Br Cl N2 O5 -","- C14 H12 Br Cl N2 O5 -","- C56 H48 Br4 Cl4 N8 O20 -","4","1","CI2178","Victor B. Rybakov; Vadim L. Alifanov; Eugene V. Babaev","2-(4-Bromophenyl)-5,7-dimethyl[1,3]oxazolo[3,2-<i>a</i>]pyrimidin-4-ium perchlorate","Acta Crystallographica Section E","2006","62","11","o4809","o4811","10.1107/S1600536806039493","","","1.5418","CuKα","","0.0798","0.0449","","","0.0988","0.115","","","","","","0.958","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210925","11.8431","0.0012","13.249","0.0014","15.0574","0.0016","82.536","0.002","80.807","0.002","88.738","0.002","2312.5","0.4","298","2","292","2","","","","","","","","6","P -1","-P 1","2","","2-(3,5-Difluorophenoxy)-5-methyl-3-phenyl-8,9,10,11-tetrahydro- 4H-benzo[4',5']thieno[3',2':5,6]pyrido[4,3-d]pyrimidin- 4(3H)-one","","- C26 H19 F2 N3 O2 S -","- C26 H19 F2 N3 O2 S -","- C104 H76 F8 N12 O8 S4 -","4","2","CI2179","Ren, Qing-Yun; He, Hong-Wu; Meng, Xiang-Gao","2-(3,5-Difluorophenoxy)-5-methyl-3-phenyl-8,9,10,11-tetrahydro-4<i>H</i>-benzo[4',5']thieno[3',2':5,6]pyrido[4,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o5029","o5031","10.1107/S1600536806041523","","","0.71073","MoKα","","0.1266","0.061","","","0.1455","0.1713","","","","","","0.849","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210926","7.752","0.005","21.259","0.005","23.011","0.005","90","","90","","90","","3792","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 3-amino-6-phenyl 4-tolylfuro[2,3-b]pyridine-2-carboxylate","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","1","CI2180","Jotani, Mukesh M.; Patel, Urmila H.; Shah, Hetal C.","Ethyl 3-amino-6-phenyl-4-tolylfuro[2,3-<i>b</i>]pyridine-2-carboxylate","Acta Crystallographica Section E","2006","62","11","o4906","o4908","10.1107/S160053680604027X","","","0.71069","MoKα","","0.1106","0.0781","","","0.1526","0.1661","","","","","","1.194","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210927","16.6827","0.0005","11.1198","0.0006","7.7254","0.0005","90","","106.333","0.003","90","","1375.29","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[di-μ~2~-iodo-(1,10-phenanthroline-κ^2^N,N')cadmium(II)]","","- C12 H8 Cd I2 N2 -","- C12 H8 Cd I2 N2 -","- C48 H32 Cd4 I8 N8 -","4","0.5","CI2181","Guo, Hong-Xu; Yang, Liu-Ming; Lin, Zhi-Xing; Zou, Xiu-Juan","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-di-μ-iodo]","Acta Crystallographica Section E","2006","62","11","m2863","m2865","10.1107/S1600536806040360","","","0.71073","MoKα","","0.0338","0.0315","","","0.0784","0.0798","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210928","7.037","0.001","15.039","0.002","16.17","0.002","90","","92.041","0.003","90","","1710.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 Br3 N2 O Zn -","- C12 H17 Br3 N2 O Zn -","- C48 H68 Br12 N8 O4 Zn4 -","4","1","CI2183","San-Jun Peng; Hai-Yun Hou","Dibromo{4-bromo-2-[(3-dimethylaminopropylimino)methyl]phenolato}zinc(II)","Acta Crystallographica Section E","2006","62","11","m2947","m2949","10.1107/S1600536806040967","","","0.71073","MoKα","","0.1327","0.0789","","","0.2244","0.2683","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210929","26.94","0.004","7.4569","0.0011","19.437","0.003","90","","104.033","0.003","90","","3788.1","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-aminopyridinium) 5-sulfonatosalicylate","","- C17 H18 N4 O6 S -","- C17 H18 N4 O6 S -","- C136 H144 N32 O48 S8 -","8","1","CI2184","Yang, De-Jun; Qu, Shao-Hua","Bis(2-aminopyridinium) 5-sulfonatosalicylate","Acta Crystallographica Section E","2006","62","11","o5127","o5129","10.1107/S1600536806042814","","","0.71073","Mokα","","0.0764","0.0513","","","0.1296","0.1442","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210930","14.9585","0.0004","14.9585","","14.2034","0.0004","90","","90","","90","","3178.11","0.12","295","2","295","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Poly[bis(μ~2~-1H-imidazolyl-1,3-diyldiacetato-κ^4^O,O':O''',O'''')cadmium(II)]","","- C14 H14 Cd N4 O8 -","- C14 H14 Cd N4 O8 -","- C112 H112 Cd8 N32 O64 -","8","0.5","CI2185","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","Poly[bis(μ~2~-1<i>H</i>-imidazolyl-1,3-diyldiacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>''',<i>O</i>'''')cadmium(II)]","Acta Crystallographica Section E","2006","62","11","m2910","m2912","10.1107/S1600536806041407","","","0.71073","MoKα","","0.028","0.023","","","0.051","0.053","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210931","9.802","0.002","13.696","0.003","31.459","0.006","90","","90","","90","","4223.3","1.5","292","2","292","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","catena-Poly[[[(dipyrido[3,2-a:2',3'-c]phenazine)cobalt(II)]-μ-benzene- 1,3-dicarboxylato] hemihydrate}","","- C26 H15 Co N4 O4.5 -","- C26 H14 Co N4 O4.5 -","- C208 H112 Co8 N32 O36 -","8","1","CI2186","Qing-Wei Wang; Qing-Long Meng; Zhi-Xin Yu; Xiao-Hong Zhao","<i>catena</i>-Poly[[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)cobalt(II)]-μ-benzene-1,3-dicarboxylato] hemihydrate]","Acta Crystallographica Section E","2006","62","11","m3009","m3011","10.1107/S1600536806042802","","","0.71073","MoKα","","0.113","0.0681","","","0.1223","0.1389","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210932","10.3001","0.0014","10.1413","0.0014","9.6613","0.0013","90","","98.198","0.002","90","","998.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-2-[(2-Pyridylmethylene)amino]ethanesulfonato- κ^5^N,N':O:O':O'']sodium(I)]","","- C8 H9 N2 Na O3 S -","- C8 H9 N2 Na O3 S -","- C32 H36 N8 Na4 O12 S4 -","4","1","CI2187","Zhang, Shu-Hua","Poly[[μ~3~-2-[(2-pyridylmethylene)amino]ethanesulfonato-κ^5^<i>N</i>,<i>N</i>':<i>O</i>:<i>O</i>':<i>O</i>'']sodium(I)]","Acta Crystallographica Section E","2006","62","11","m3062","m3064","10.1107/S1600536806043352","","","0.71073","MoKα","","0.0454","0.0434","","","0.1148","0.117","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210933","17.141","0.003","16.729","0.003","19.595","0.004","90","","115.6","0.03","90","","5067","2","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Naphthalene-1,4-dicarboxylato)bis[4-(1H-1,3,7,8- tetraazacyclopenta[l]phenanthren-2-yl)phenol]zinc(II) naphthalene-1,4-dicarboxylate dihydrate","","- C62 H42 N8 O12 Zn -","- C62 H42 N8 O12 Zn -","- C248 H168 N32 O48 Zn4 -","4","1","CI2188","Qing-Wei Wang; Zhi-Xin Yu; Qing-Long Meng; Xiao-Hong Zhao","(4-Carboxynaphthalene-1-carboxylato)bis[4-(1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)phenol]zinc(II) 4-carboxynaphthalene-1-carboxylate dihydrate","Acta Crystallographica Section E","2006","62","11","m3012","m3013","10.1107/S1600536806042656","","","0.71073","MoKα","","0.0958","0.0618","","","0.1461","0.1631","","","","","","1.032","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210934","7.6072","0.0012","13.725","0.002","17.628","0.003","90","","90","","90","","1840.5","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Di-n-propyl anthracene-1,8-dicarboxylate","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","CI2189","Shao-Jin Gu; Da-Bin Qin; Lin-Hai Jing; Huan-Xia Zhang","Di-<i>n</i>-propyl anthracene-1,8-dicarboxylate","Acta Crystallographica Section E","2006","62","11","o5001","o5002","10.1107/S1600536806041961","","","0.71073","MoKα","","0.0732","0.0411","","","0.0858","0.0967","","","","","","1.163","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210935","8.232","0.001","20.702","0.002","12.011","0.001","90","","107.785","0.001","90","","1949.1","0.3","293","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chloro(1-isopropylidene-4-methyl-3-thiosemicarbazidato- κ^2^N^3^,S)diphenyltin(IV)","","- C17 H20 Cl N3 S Sn -","- C17 H20 Cl N3 S Sn -","- C68 H80 Cl4 N12 S4 Sn4 -","4","1","CI2190","Swesi, Abdurazag T.; Farina, Yang; Venkatraman, Ramaiyer; Ng, Seik Weng","Chloro(1-isopropylidene-4-methyl-3-thiosemicarbazidato-κ^2^<i>N</i>^3^,<i>S</i>)diphenyltin(IV)","Acta Crystallographica Section E","2006","62","11","m3016","m3017","10.1107/S1600536806042589","","","0.71073","MoKα","","0.033","0.029","","","0.071","0.073","","","","","","1.06","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210936","8.11","0.001","12.195","0.001","26.144","0.003","90","","90.146","0.001","90","","2585.7","0.5","293","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(Acetone-4-phenylthiosemicarbazonato-κ^2^N,S)chlorodiphenyltin(IV) ethanol solvate","","- C24 H28 Cl N3 O S Sn -","- C24 H28 Cl N3 O S Sn -","- C96 H112 Cl4 N12 O4 S4 Sn4 -","4","1","CI2191","Swesi, Abdurazag T.; Farina, Yang; Venkatraman, Ramaiyer; Ng, Seik Weng","(Acetone 4-phenylthiosemicarbazonato-κ^2^<i>N</i>,<i>S</i>)chlorodiphenyltin(IV) ethanol solvate","Acta Crystallographica Section E","2006","62","11","m3018","m3019","10.1107/S1600536806042590","","","0.71073","MoKα","","0.066","0.051","","","0.106","0.112","","","","","","1.15","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210937","25.488","0.003","7.8171","0.0007","25.693","0.003","90","","116.904","0.001","90","","4565.1","0.9","293","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","chloro(4-ethyl-1-isopropylidene-3-thiosemicarbazidato- κ^2^N^3^,S)dimethyltin(IV)‒4-ethyl-1-isopropylidene-3-thiosemicarbazone (1/1)","","- C14 H31 Cl N6 S2 Sn -","- C14 H31 Cl N6 S2 Sn -","- C112 H248 Cl8 N48 S16 Sn8 -","8","2","CI2192","Swesi, Abdurazag T.; Farina, Yang; Venkatraman, Ramaiyer; Ng, Seik Weng","A 1:1 cocrystal of chloro(4-ethyl-1-isopropylidene-3-thiosemicarbazidato-κ^2^<i>N</i>^3^,<i>S</i>)dimethyltin(IV) and 4-ethyl-1-isopropylidene-3-thiosemicarbazone","Acta Crystallographica Section E","2006","62","11","m3020","m3021","10.1107/S1600536806042607","","","0.71073","MoKα","","0.057","0.048","","","0.115","0.12","","","","","","1.17","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210938","8.533","0.001","10.031","0.001","15.451","0.002","79.736","0.001","87.3","0.001","72.1","0.001","1238.3","0.2","293","2","295","2","","","","","","","","6","P -1","-P 1","2","","[2,6-Diacetylpyridine bis(4-ethylthiosemicarbazonato)-κ^5^N,N',N'',S',S'']dimethyltin(IV) dichloride","","- C17 H27 Cl2 N7 S2 Sn -","- C17 H27 Cl2 N7 S2 Sn -","- C34 H54 Cl4 N14 S4 Sn2 -","2","1","CI2193","Swesi, Abdurazag T.; Farina, Yang; Ng, Seik Weng","[2,6-Diacetylpyridine bis(4-ethylthiosemicarbazonato)-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'',<i>S</i>',<i>S</i>'']dimethyltin(IV) dichloride","Acta Crystallographica Section E","2006","62","11","m3022","m3023","10.1107/S1600536806042619","","","0.71073","MoKα","","0.034","0.033","","","0.098","0.1","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210939","6.9695","0.0014","9.88","0.002","9.2352","0.0019","90","","103.638","0.004","90","","618","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,4,5-tetrakis(bromomethyl)benzene","","- C10 H10 Br4 -","- C10 H10 Br4 -","- C20 H20 Br8 -","2","0.5","CI2194","Wang, Zhi-Guo; Wang, Yu-Zhou; She, Neng-Fang; Gao, Meng","1,2,4,5-Tetrakis(bromomethyl)benzene","Acta Crystallographica Section E","2006","62","11","o5106","o5107","10.1107/S1600536806042334","","","0.71073","MoKα","","0.0506","0.0372","","","0.0916","0.0974","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210940","14.964","0.003","5.381","0.0011","15.448","0.003","90","","108.37","0.03","90","","1180.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 3-(4-chlorophenyl)-2-cyanoacrylate","","- C12 H10 Cl N O2 -","- C12 H10 Cl N O2 -","- C48 H40 Cl4 N4 O8 -","4","1","CI2195","Zhang, Yue; Liu, Jian-Wu","Ethyl 3-(4-chlorophenyl)-2-cyanoacrylate","Acta Crystallographica Section E","2006","62","11","o5286","o5287","10.1107/S1600536806044199","","","0.71073","MoKα","","0.1053","0.0636","","","0.1444","0.1702","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210941","14.979","0.001","13.609","0.001","25.164","0.001","90","","90","","90","","5129.7","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]cobalt(II)","","- C26 H30 Br2 Co N2 O2 -","- C26 H30 Br2 Co N2 O2 -","- C208 H240 Br16 Co8 N16 O16 -","8","1","CI2197","Qing Wang; Xiao-Yang Qiu","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]cobalt(II)","Acta Crystallographica Section E","2006","62","11","m3000","m3001","10.1107/S1600536806043364","","","0.71073","MoKα","","0.0953","0.0522","","","0.14","0.1655","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210942","12.108","0.005","7.661","0.003","21.566","0.008","90","","96.853","0.005","90","","1986.2","1.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(2,4-dichlorophenyl)-6-ferrocenylpyridine-3-carbonitrile","","- C22 H15 Cl2 Fe N3 -","- C22 H15 Cl2 Fe N3 -","- C88 H60 Cl8 Fe4 N12 -","4","1","CI2199","Zi-Qiang Tang; Run-Hong Jia; Yan Zhang","2-Amino-4-(2,4-dichlorophenyl)-6-ferrocenylpyridine-3-carbonitrile","Acta Crystallographica Section E","2006","62","11","m3125","m3126","10.1107/S1600536806044163","","","0.71073","MoKα","","0.0883","0.0467","","","0.0968","0.1197","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210943","17.2382","0.0019","11.5365","0.0013","8.9811","0.001","90","","90.631","0.002","90","","1785.9","0.3","292","2","292","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-Phenyl-2-(piperidin-4-yl)benzo[4,5]thieno[3,2-<i>d</i>]pyrimidin-4(3H)-one","","- C21 H19 N3 O S -","- C21 H19 N3 O S -","- C84 H76 N12 O4 S4 -","4","1","CS2017","Xiang Wang; Ai-Hua Zheng; Sheng-Zhen Xu","3-Phenyl-2-(piperidin-4-yl)benzo[4,5]thieno[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o4791","o4792","10.1107/S1600536806039407","","","0.71073","MoKα","","0.0796","0.0543","","","0.1006","0.1112","","","","","","0.972","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210944","5.899","0.0003","12.0111","0.0005","10.9441","0.0006","90","","104.005","0.003","90","","752.38","0.07","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis[5-(pyrazin-2-yl)tetrazolato]cadmium(II)","","- C10 H10 Cd N12 O2 -","- C10 H10 Cd N12 O2 -","- C20 H20 Cd2 N24 O4 -","2","0.5","CV2122","Wen-Dong Song; Dan-Li Xi","Diaquabis[5-(pyrazin-2-yl)tetrazolato]cadmium(II)","Acta Crystallographica Section E","2006","62","11","m2841","m2842","10.1107/S1600536806039274","","","0.71073","MoKα","","0.0275","0.0205","","","0.0488","0.0521","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210945","8.8379","0.0007","19.2033","0.0015","13.0939","0.0008","90","","123.169","0.004","90","","1860.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-homophthalato-κ^3^O:O',O'';κ^3^O',O'':O-bis[aqua(1,10- phenanthroline)zinc(II)]","","- C42 H32 N4 O10 Zn2 -","- C42 H32 N4 O10 Zn2 -","- C84 H64 N8 O20 Zn4 -","2","0.5","CV2124","Jian-Hua Sun","Di-μ-homophthalato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'';κ^3^<i>O</i>',<i>O</i>'':<i>O</i>-bis[aqua(1,10-phenanthroline)zinc(II)]","Acta Crystallographica Section E","2006","62","11","m2799","m2801","10.1107/S1600536806039377","","","0.71073","MoKα","","0.0469","0.0393","","","0.0884","0.0916","","","","","","1.027","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210946","9.548","0.0007","11.1732","0.0009","11.9096","0.0009","75.307","0.001","77.922","0.001","68.403","0.001","1133.18","0.15","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","5-(4-Chlorophenoxy)-3,6-diphenyl-2-thioxo-2,3-dihydrothiazolo [4,5-d]pyrimidin-7(6H)-one dichloromethane solvate","","- C23.5 H15 Cl2 N3 O2 S2 -","- C23.5 H15 Cl2 N3 O2 S2 -","- C47 H30 Cl4 N6 O4 S4 -","2","1","CV2128","Liang, Ying; Xu, Di-Fan; He, Hong-Wu","5-(4-Chlorophenoxy)-3,6-diphenyl-2-thioxo-2,3-dihydrothiazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one dichloromethane hemisolvate","Acta Crystallographica Section E","2006","62","11","o4868","o4869","10.1107/S1600536806040542","","","0.71073","MoKα","","0.0685","0.0581","","","0.1616","0.1697","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210947","11.0158","0.0011","11.4856","0.0009","12.9229","0.0017","90","","109.823","0.009","90","","1538.2","0.3","293","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl adamantanoylmalonate","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","CV2129","Molčanov, Krešimir; Kojić-Prodić, Biserka; Matković, Marija; Mlinarić-Majerski, Kata","Conformational chirality of dimethyl adamantanoylmalonate","Acta Crystallographica Section E","2006","62","11","o4824","o4826","10.1107/S1600536806040141","","","1.54184","CuKα","","","0.0484","","","","0.1467","","","","","","1.031","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210948","16.096","0.003","17.769","0.004","19.759","0.004","90","","90","","90","","5651","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H32 Co N10 S2 -","- C22 H32 Co N10 S2 -","- C176 H256 Co8 N80 S16 -","8","1","CV2130","Fa-Qian Liu; Hong-Na Chen; Juan Su; Wei Li; Rong-Xun Li","Tetrakis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)diisothiocyanatocobalt(II)","Acta Crystallographica Section E","2006","62","11","m2881","m2882","10.1107/S1600536806040554","","","0.71073","MoKα","","0.1772","0.0777","","","0.1542","0.1947","","","","","","1.009","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210949","10.886","0.005","11.525","0.005","13.236","0.006","90","","95.249","0.006","90","","1653.6","1.3","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","catena-Poly[[[trimethyltin(IV)]-μ-4,4'-bipyridyl-κ^2^N:N'-[trimethyltin(IV)]- μ-1,3,4-thiadiazole-2,5(3H)-dithionato(2-)-κ^2^N^3^:S^5^] 4,4'-bipyridine clathrate]","","- C28 H34 N6 S3 Sn2 -","- C28 H34 N6 S3 Sn2 -","- C56 H68 N12 S6 Sn4 -","2","1","CV2131","Lin-Lin Qiu; Ji-Kun Li; Jun-Shan Sun; Ru-Fen Zhang","<i>catena</i>-Poly[[[trimethyltin(IV)]-μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>'-[trimethyltin(IV)]-μ-1,3,4-thiadiazole-2,5(3<i>H</i>)-dithionato(2{-})-κ^2^<i>N</i>^3^:<i>S</i>^5^] 4,4'-bipyridine clathrate]","Acta Crystallographica Section E","2006","62","11","m3052","m3053","10.1107/S1600536806042899","","","0.71073","MoKα","","0.0477","0.0364","","","0.0829","0.0916","","","","","","1.001","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210950","9.4062","0.0002","10.3698","0.0003","11.2651","0.0002","114.231","0.001","114.06","0.001","92.189","0.001","886.63","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Ethyl 2-bromo-3-(1-phenylsulfonyl-1H-indol-3-yl)acrylate","","- C19 H16 Br N O4 S -","- C19 H16 Br N O4 S -","- C38 H32 Br2 N2 O8 S2 -","2","1","CV2134","G. Senthil Kumar; K. Chinnakali; R. Balamurugan; A. K. Mohanakrishnan; Hoong-Kun Fun","Ethyl 2-bromo-3-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)acrylate","Acta Crystallographica Section E","2006","62","11","o4972","o4974","10.1107/S1600536806041900","","","0.71073","MoKα","","0.0473","0.0359","","","0.0829","0.0886","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210951","4.4758","0.0016","10.043","0.004","10.057","0.004","66.98","0.004","80.218","0.005","87.632","0.005","409.9","0.3","298","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-(prop-2-ynyloxy)benzaldehyde","","- C10 H8 O2 -","- C10 H8 O2 -","- C20 H16 O4 -","2","1","CV2136","Xin-Hong Chang","2-(Prop-2-ynyloxy)benzaldehyde","Acta Crystallographica Section E","2006","62","11","o5102","o5103","10.1107/S1600536806042127","","","0.71073","MoKα","","0.0574","0.0481","","","0.1238","0.1312","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210952","5.0249","0.0013","9.302","0.002","19.136","0.005","90","","91.532","0.004","90","","894.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5Z)-5-Benzylideneimidazolidine-2,4-dione","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","CV2137","Xin-Hong Chang","(5<i>Z</i>)-5-Benzylideneimidazolidine-2,4-dione","Acta Crystallographica Section E","2006","62","11","o5184","o5185","10.1107/S1600536806043182","","","0.71073","MoKα","","0.0466","0.0391","","","0.0949","0.1","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210953","7.053","0.003","9.615","0.005","14.624","0.01","93.51","0.03","92.75","0.03","110.19","0.02","926.5","0.9","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Trisodium diaquabis(malonato-κ^2^O,O')nickel(II) chloride hexahydrate","","- C6 H20 Cl Na3 Ni O16 -","- C6 H20 Cl Na3 Ni O16 -","- C12 H40 Cl2 Na6 Ni2 O32 -","2","1","CV2138","Li, Bao; Ye, Ling; Yang, Guang-Di; Wu, Li-Xin","Trisodium diaquabis(malonato-κ^2^<i>O</i>,<i>O</i>')nickelate(II) chloride hexahydrate","Acta Crystallographica Section E","2006","62","11","m3155","m3157","10.1107/S1600536806044473","","","0.71073","MoKα","","0.0315","0.0275","","","0.0739","0.0747","","","","","","1.33","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210954","10.0947","0.001","10.4098","0.001","10.607","0.001","66.966","0.001","66.877","0.001","70.113","0.001","920.16","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N'-[(1E)-(2-Chlorophenyl)methylene]-4-(quinolin-8-yloxy)butanohydrazide","","- C20 H18 Cl N3 O2 -","- C20 H18 Cl N3 O2 -","- C40 H36 Cl2 N6 O4 -","2","1","CV2139","Ze-Bao Zheng","<i>N</i>'-[(1<i>E</i>)-(2-Chlorophenyl)methylene]-4-(quinolin-8-yloxy)butanohydrazide","Acta Crystallographica Section E","2006","62","11","o5146","o5147","10.1107/S1600536806043194","","","0.71073","MoKα","","0.0459","0.0341","","","0.0891","0.098","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210955","6.8515","0.0007","7.0698","0.0007","7.4611","0.0008","89.661","0.002","69.488","0.002","73.482","0.002","322.75","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis(malonamide-κ2O,O')-bis(nitrato-κO)copper(II)","","- C6 H12 Cu N6 O10 -","- C6 H12 Cu N6 O10 -","- C6 H12 Cu N6 O10 -","1","0.5","CV2140","Mikhail A. Ershov; Vikenty G. Skvortsov; Yulia Yu. Pilchikova; Olga V. Koltsova; Kyrill Yu. Suponitsky","Bis(malonamide-κ^2^<i>O</i>,<i>O</i>')bis(nitrato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2006","62","11","m3073","m3075","10.1107/S1600536806043649","","","0.71073","MoKα","","0.0244","0.0241","","","0.0588","0.0591","","","","","","0.979","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210956","8.3177","0.0006","7.3586","0.0005","10.0195","0.0007","90","","108.101","0.002","90","","582.91","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro-bis(malonamide-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C6 H12 Cl2 Cu N4 O4 -","- C6 H12 Cl2 Cu N4 O4 -","- C12 H24 Cl4 Cu2 N8 O8 -","2","0.5","CV2141","Mikhail A. Ershov; Vikenty G. Skvortsov; Yulia Yu. Pilchikova; Olga V. Koltsova; Kyrill Yu. Suponitsky","Dichlorobis(malonamide-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2006","62","11","m3076","m3077","10.1107/S1600536806043662","","","0.71073","MoKα","","0.0188","0.0178","","","0.0409","0.0414","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210957","6.1049","0.0017","7.909","0.002","20.244","0.005","90","","90","","90","","977.5","0.4","298","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[3-(4-Methylphenyl)isoxazol-5-yl]methanol","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","CV2142","Da-Min Tian; Xiang Li","[3-(4-Methylphenyl)isoxazol-5-yl]methanol","Acta Crystallographica Section E","2006","62","11","o5335","o5336","10.1107/S1600536806043881","","","0.71073","MoKα","","0.05","0.0417","","","0.0956","0.1001","","","","","","1.059","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210958","5.0195","0.0005","6.6503","0.0007","17.048","0.0017","86.317","0.002","86.687","0.002","72.588","0.002","541.44","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(5-carboxy-1H-imidazole-4-carboxylato-κ^2^N,O)zinc(II) 4,4'-bipyridine solvate","","- C20 H18 N6 O10 Zn -","- C20 H18 N6 O10 Zn -","- C20 H18 N6 O10 Zn -","1","0.5","DN2064","Rui-Qin Zhong; Ru-Qiang Zou; Qiang Xu","Diaquabis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>,<i>O</i>)zinc(II)‒4,4'-bipyridine (1/1)","Acta Crystallographica Section E","2006","62","11","m2789","m2790","10.1107/S1600536806039705","","","0.71073","MoKα","","0.0251","0.0247","","","0.0653","0.0657","","","","","","1.074","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210959","12.7089","0.0016","28.235","0.004","7.1198","0.0009","90","","91.901","0.002","90","","2553.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl [(2,4-dinitrophenyl)hydrazono]acetate","","- C10 H10 N4 O6 -","- C10 H10 N4 O6 -","- C80 H80 N32 O48 -","8","2","DN2065","Yin, Zhi-Gang; Du, Yan-Jun; Zhang, Jun-Song; Qian, Heng-Yu; Wang, Qiao-Luan","Ethyl [(2,4-dinitrophenyl)hydrazono]acetate","Acta Crystallographica Section E","2006","62","11","o4807","o4808","10.1107/S1600536806039717","","","0.71073","MoKα","","0.1358","0.0484","","","0.1085","0.1434","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210960","15.6583","0.0011","10.3664","0.0007","19.7208","0.0014","90","","104.195","0.001","90","","3103.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2,2-bipyridine-κ^2^N,N')(hippurato-κ^2^O,O')cadmium(II) perchlorate dihydrate","","- C29 H28 Cd Cl N5 O9 -","- C29 H28 Cd Cl N5 O9 -","- C116 H112 Cd4 Cl4 N20 O36 -","4","1","DN2066","Gui-Quan Guo; Xian-Wen Wang; Fu-Ping Chen; Ying Chen; Jing-Zhong Chen","Bis(2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')(hippurato-κ^2^<i>O</i>,<i>O</i>')cadmium(II) perchlorate dihydrate","Acta Crystallographica Section E","2006","62","11","m2796","m2798","10.1107/S160053680603978X","","","0.71073","MoKα","","0.0433","0.0304","","","0.0717","0.0786","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210961","11.144","0.002","14.352","0.002","17.151","0.002","90","","90","","90","","2743.1","0.7","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1α,6,11β,15β-Tetraacetoxy-6,7-seco-7,20-olide-ent-kaur-16-ene","","- C28 H38 O10 -","- C28 H38 O10 -","- C112 H152 O40 -","4","1","DN2067","He, Zhi-An; Ma, Xing-Ke; Zhang, Ji-Xia; Bai, Su-Ping","1α,6,11β,15β-Tetraacetoxy-6,7-seco-7,20-olide-<i>ent</i>-kaur-16-ene","Acta Crystallographica Section E","2006","62","11","o5223","o5224","10.1107/S1600536806042875","","","0.71073","MoKα","","0.0907","0.0378","","","0.0706","0.0808","","","","","","0.79","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210962","9.7417","0.0019","11.443","0.002","13.916","0.003","73.19","0.03","80.46","0.03","69.63","0.03","1388.5","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^N:N'] 1,2-phenylenedioxydiacetate 4,4'-bipyridine hemisolvate dihydrate]","","- C25 H32 Co N3 O12 -","- C25 H32 Co N3 O12 -","- C50 H64 Co2 N6 O24 -","2","1","DN2068","Gao, Jin-Sheng; Hou, Guang-Feng; Yu, Ying-Hui; Hou, Yan-Jun; Yan, Peng-Fei","<i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 1,2-phenylenedioxydiacetate 4,4'-bipyridine hemisolvate dihydrate]","Acta Crystallographica Section E","2006","62","11","m2913","m2915","10.1107/S1600536806041675","","","0.71073","MoKα","","0.0366","0.0312","","","0.0781","0.0808","","","","","","1.049","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210963","5.7583","0.0002","22.1255","0.0007","8.1214","0.0003","90","","96.741","0.002","90","","1027.56","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-Isobutylphthalimide","2-Isobutylisoindoline-1,3-dione","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","DN2069","Warzecha, Klaus-Dieter; Lex, Johann; Griesbeck, Axel G.","<i>N</i>-Isobutylphthalimide: unidimensional zigzag ribbons of <i>R</i>(10) motifs","Acta Crystallographica Section E","2006","62","11","o4858","o4859","10.1107/S160053680604030X","","","0.71073","MoKα","","0.0631","0.0391","","","0.0868","0.0947","","","","","","0.971","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210964","13.28","0.001","13.02","0.001","9.444","0.0002","90","","90","","90","","1632.92","0.18","190","2","190","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","3,5-Bis(2-fluorophenyl)-1-isopropyl-1,3,5-triazacyclohexane","","","- C18 H21 F2 N3 -","- C18 H21 F2 N3 -","- C72 H84 F8 N12 -","4","1","DN2070","Latreche, Saida; Bouchemma, Ahcene; Bouacida, Sofiane; Mousser, Henia; Mousser, Abdelhamid","3,5-Bis(2-fluorophenyl)-1-isopropyl-1,3,5-triazacyclohexane","Acta Crystallographica Section E","2006","62","11","o4960","o4962","10.1107/S160053680604147X","","","0.71073","MoKα","","0.0505","0.044","","","0.1191","0.1244","","","","","","1.033","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210965","8.6352","0.0004","9.4663","0.0006","14.7519","0.0011","85.405","0.004","89.476","0.005","72.268","0.004","1144.74","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","(Acetonitrile-κN)dichloro-bis(η5-pentamethylcyclopentadienyl)uranium(IV)","","- C22 H33 Cl2 N U -","- C22 H33 Cl2 N U -","- C44 H66 Cl4 N2 U2 -","2","1","DN2071","Maynadié, Jèôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","(Acetonitrile-κ<i>N</i>)dichlorobis(η^5^-pentamethylcyclopentadienyl)uranium(IV)","Acta Crystallographica Section E","2006","62","11","m2942","m2943","10.1107/S1600536806040591","","","0.71073","MoKα","","0.0225","0.0206","","","0.0575","0.0582","","","","","","1.099","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210966","11.332","0.007","50.73","0.02","9.001","0.003","90","","90","","90","","5174","4","293","2","295","2","","","","","","","","6","F d d 2","F 2 -2d","43","","catena-Poly[bis[[dichlorozinc(II)]-μ-pyridine-4-carboxylato-κ^2^N,O] hexaaquazinc(II) dihydrate]","","- C12 H24 Cl4 N2 O12 Zn3 -","- C12 H24 Cl4 N2 O12 Zn3 -","- C96 H192 Cl32 N16 O96 Zn24 -","8","0.5","DN2072","Li, Bao; Ye, Ling; Guang-Feng Hou; Guang-Di Yang; Li-Xin Wu","<i>catena</i>-Poly[hexaaquazinc(II) [bis[dichlorozincate(II)]-μ-pyridine-4-carboxylato-κ^2^<i>N</i>,<i>O</i>] dihydrate]","Acta Crystallographica Section E","2006","62","11","m2932","m2933","10.1107/S1600536806041705","","","0.71073","MoKα","","0.0536","0.0457","","","0.0807","0.0842","","","","","","1.079","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210967","8.601","0.001","6.043","0.001","12.352","0.002","90","","91.43","0.03","90","","641.81","0.17","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-nitroaniline","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","DN2073","Qian, Heng-Yu; Yin, Zhi-Gang; Jia Jia; Zhou Na; Feng Ling-Qin","4-Nitroaniline: a redetermination","Acta Crystallographica Section E","2006","62","11","o5048","o5049","10.1107/S1600536806040608","","","0.71073","MoKα","","0.0428","0.0326","","","0.0897","0.0951","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210968","7.598","0.002","19.448","0.005","12.541","0.003","90","","100.896","0.006","90","","1819.7","0.8","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H36 O8 -","- C50 H36 O8 -","- C100 H72 O16 -","2","0.5","DN2074","Ustabaş, Reşat; Çoruh, Ufuk; Er, Mustafa; Serbest, Kerim; Vázquez-López, Ezequiel M.","2,2'-[2,3-Bis(1-formyl-2-naphthyloxymethyl)but-2-ene-1,4-diyldioxy]bis(naphthalene-1-carbaldehyde)","Acta Crystallographica Section E","2006","62","11","o5006","o5007","10.1107/S1600536806040797","","","0.71073","MoKα","","0.1877","0.0463","","","0.0526","0.0647","","","","","","0.762","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210969","7.0337","0.0014","10.687","0.002","18.466","0.004","87.92","0.03","87.88","0.03","84.15","0.03","1379.2","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Hexaaquacobalt(II) bis(4-nitrophenoxyacetate) pentahydrate","","- C16 H34 Co N2 O21 -","- C16 H34 Co N2 O21 -","- C32 H68 Co2 N4 O42 -","2","1","DN2076","Gao, Jin-Sheng; Li, Bai-Yan; Hou, Guang-Feng; Zhang, Yi-Ming; Yan, Peng-Fei","Hexaaquacobalt(II) bis(4-nitrophenoxyacetate) pentahydrate","Acta Crystallographica Section E","2006","62","11","m3029","m3030","10.1107/S1600536806043133","","","0.71073","MoKα","","0.0403","0.0312","","","0.0753","0.0848","","","","","","1.074","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210970","8.5766","0.0004","5.165","0.0004","12.2001","0.0007","90","","102.394","0.001","90","","527.85","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naphthalene-1,5-diammonium dichloride","","","- C10 H12 Cl2 N2 -","- C10 H12 Cl2 N2 -","- C20 H24 Cl4 N4 -","2","0.5","DN2077","Boufas, Sihem; Merazig, Hocine; Bendjeddou, Lamia; Beghidja, Adel; Dénés, Georges","Naphthalene-1,5-diammonium dichloride","Acta Crystallographica Section E","2006","62","11","o5268","o5270","10.1107/S1600536806043868","","","0.71073","MoKα","","","0.0364","","","","0.0829","","","","","","1.066","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210971","8.911","0.0018","10.612","0.002","12.491","0.003","94.55","0.03","92.09","0.03","114.63","0.03","1067.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-{2-[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy}- N-(2,6-dimethylphenyl)acetamide","","- C24 H20 Cl N3 O3 -","- C24 H20 Cl N3 O3 -","- C48 H40 Cl2 N6 O6 -","2","1","DN2079","Ding, Wei-Lin; Xing, Zhi-Tao; Liu, Zhi-Qian; Wang, Pin-Liang; Wang, Hai-Bo","2-{2-[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-<i>N</i>-(2,6-dimethylphenyl)acetamide","Acta Crystallographica Section E","2006","62","11","o5280","o5281","10.1107/S1600536806043893","","","0.71073","MoKα","","0.124","0.0647","","","0.1536","0.1787","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210972","6.164","0.012","6.402","0.012","28.1","0.05","90","","95.03","0.03","90","","1105","4","291","2","291","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","Methyl [(4-nitrophenyl)hydrazono]acetate","","- C9 H9 N3 O4 -","- C9 H9 N3 O4 -","- C36 H36 N12 O16 -","4","1","DN2081","Xu, Jun","Methyl [(4-nitrophenyl)hydrazono]acetate","Acta Crystallographica Section E","2006","62","11","o5317","o5318","10.1107/S1600536806044552","","","0.71073","MoKα","","0.0894","0.0598","","","0.0598","0.0633","","","","","","1.052","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210973","16.2809","0.0014","10.4277","0.0007","7.5585","0.0005","90","","90","","90","","1283.22","0.16","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N-(2-Methoxybenzyl)phthalimide","2-(2-methoxybenzyl)isoindoline-1,3-dione","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","DN2082","Warzecha, Klaus-Dieter; Lex, Johann; Griesbeck, Axel G.","<i>N</i>-(2-Methoxybenzyl)phthalimide: a two-dimensional network of <i>C</i>(7) and <i>C</i>(9) chain motifs","Acta Crystallographica Section E","2006","62","11","o5271","o5273","10.1107/S1600536806044060","","","0.71073","MoKα","","0.0553","0.0353","","","0.0616","0.0663","","","","","","1.008","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210974","7.532","0.008","8.256","0.009","12.872","0.013","90","","96.283","0.004","90","","795.6","1.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-(2-Methylphenyl)-C-(3,4,5-trimethoxyphenyl)nitrone","2-Methyl-N-(3,4,5-trimethoxybenzylidene)aniline N-oxide","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C34 H38 N2 O8 -","2","1","DN3023","Naveen, S.; Sadashiva, M. P.; Rangappa, K. S.; Sridhar, M. A.; Shashidhara Prasad, J.","2-Methyl-<i>N</i>-(3,4,5-trimethoxybenzylidene)aniline <i>N</i>-oxide","Acta Crystallographica Section E","2006","62","11","o4793","o4795","10.1107/S1600536806039791","","","0.71073","MoKα","","0.0399","0.0375","","","0.0975","0.0995","","","","","","1.114","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210975","10.001","0.002","22.834","0.005","10.854","0.002","90","","103.45","0.03","90","","2410.7","0.9","200","3","200","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridine)(oxalato-O,O')zinc(II) pentahydrate","","- C22 H26 N4 O9 Zn -","- C22 H26 N4 O9 Zn -","- C88 H104 N16 O36 Zn4 -","4","1","EM3002","Šestan Jurić, Marijana; Planinić, Pavica; Giester, Gerald","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>,<i>O</i>')zinc(II) pentahydrate","Acta Crystallographica Section E","2006","62","11","m2826","m2829","10.1107/S1600536806040086","","","0.71073","MoKα","","0.0514","0.0342","","","0.0854","0.0931","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210976","11.4058","0.0006","11.0804","0.0006","13.5775","0.0007","90","","105.674","0.001","90","","1652.13","0.15","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-iodo-bis[diiodobis(1,10-phenanthroline)bismuth(III)]","","- C24 H16 Bi2 I6 N4 -","- C24 H16 Bi2 I6 N4 -","- C48 H32 Bi4 I12 N8 -","2","0.5","ER2013","Tershansy, Meredith A.; Goforth, Andrea M.; Smith, Mark D.; Peterson Jr, LeRoy; Loye, Hans-Conrad zur","Di-μ-iodo-bis[diiodo(1,10-phenanthroline)bismuth(III)]","Acta Crystallographica Section E","2006","62","11","m2987","m2989","10.1107/S1600536806041997","","","0.71073","MoKα","","0.0188","0.0181","","","0.0439","0.0442","","","","","","1.119","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210977","14","0.02","12.35","0.02","8.838","0.014","90","","111.731","0.019","90","","1419","4","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","(6R,10R,14E)-6-Amino-12-ethylidene-8-methyl-6,7,10,12-tetrahydro-6,10- methanocycloocta[b]pyridin-2(1H)-one monohydrate","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","ER2016","Zhao-Ling Meng; Ai-Ling Sun; Ren-Min Liu; Da-Qi Wang","(6<i>R</i>,10<i>R</i>,14<i>E</i>)-6-Amino-12-ethylidene-8-methyl-6,7,10,12-tetrahydro-6,10-methanocycloocta[<i>b</i>]pyridin-2(1<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2006","62","11","o4911","o4912","10.1107/S160053680603981X","","","0.71073","MoKα","","0.1265","0.0656","","","0.1372","0.1613","","","","","","1","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210978","10.0259","0.0008","13.2126","0.001","12.1805","0.001","90","","90","","90","","1613.5","0.2","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N,N-Di-n-butyl-N'-pivaloylthiourea","","- C14 H28 N2 O S -","- C14 H28 N2 O S -","- C56 H112 N8 O4 S4 -","4","1","EZ2037","Dillen, Jan; Woldu, Mengistu Ghebreysus; Koch, Klaus R.","<i>N</i>,<i>N</i>-Di-<i>n</i>-butyl-<i>N</i>'-pivaloylthiourea","Acta Crystallographica Section E","2006","62","11","o4819","o4820","10.1107/S1600536806039614","","","0.71073","MoKα","","0.044","0.041","","","0.094","0.095","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210979","20.724","0.004","3.863","0.0008","21.472","0.004","90","","111.72","0.03","90","","1596.9","0.6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-Bis(2,2'-bithienyl-5-yl)ethane-1,2-dione","","- C18 H10 O2 S4 -","- C18 H10 O2 S4 -","- C72 H40 O8 S16 -","4","0.5","EZ2038","Perašínová, Lucia,; Végh, Daniel; Kožíšek, Jozef","1,2-Bis(2,2'-bithienyl-5-yl)ethane-1,2-dione","Acta Crystallographica Section E","2006","62","11","o5100","o5101","10.1107/S1600536806042139","","","0.71073","MoKα","","0.06","0.039","","","0.099","0.103","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2210980","5.3454","0.0009","12.36","0.002","26.292","0.004","90","","94.994","0.003","90","","1730.5","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N3 O2 -","- C20 H16 Cl N3 O2 -","- C80 H64 Cl4 N12 O8 -","4","1","EZ2039","Zhao, Yan-Li; Zhang, Qiao-Zhen; Chen, Xin; Yu, Ming","(<i>E</i>)-<i>N</i>'-[4-(2-Chlorobenzyloxy)benzylidene]isonicotinohydrazide","Acta Crystallographica Section E","2006","62","11","o4928","o4929","10.1107/S1600536806040839","","","0.71073","MoKα","","0.076","0.042","","","0.103","0.118","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210981","6.343","0.002","15.305","0.005","10.78","0.004","90","","93.727","0.006","90","","1044.3","0.6","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N3 O6 S -","- C21 H19 N3 O6 S -","- C42 H38 N6 O12 S2 -","2","1","EZ2040","Chen, Xin; Yu, Ming","(<i>E</i>)-1-[3-Methoxy-4-(4-methylphenylsulfonyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine: a monoclinic polymorph","Acta Crystallographica Section E","2006","62","11","o2924","o2925","10.1107/S1600536806040840","","","0.71073","MoKα","","0.07","0.039","","","0.083","0.098","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210982","7.0532","0.0014","14.637","0.003","9.7455","0.0019","90","","107.47","0.03","90","","959.7","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Hexaaquamagnesium(II) bis(5-carboxy-1H-imidazole-4-carboxylate) dihydrate","","- C10 H22 Mg N4 O16 -","- C10 H22 Mg N4 O16 -","- C20 H44 Mg2 N8 O32 -","2","1","EZ2041","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Hexaaquamagnesium(II) bis(5-carboxy-1<i>H</i>-imidazole-4-carboxylate) dihydrate","Acta Crystallographica Section E","2006","62","11","m2898","m2900","10.1107/S1600536806041821","","","0.71073","MoKα","","0.038","0.03","","","0.064","0.067","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210983","15.831","0.007","11.575","0.005","10.215","0.004","90","","91.08","0.007","90","","1871.5","1.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,5-Bis(4-methylphenyl)-3-(2-furanyl)pentane-1,5-dione","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","EZ2043","Huang, Xian-Qiang; Tan, Yong-Xin; Dou, Jian-Min; Li, Da-Cheng; Zhang, Chun-Shui","3-(2-Furyl)-1,5-bis(4-methylphenyl)pentane-1,5-dione","Acta Crystallographica Section E","2006","62","11","o5257","o5258","10.1107/S1600536806043789","","","0.71073","MoKα","","0.165","0.065","","","0.165","0.273","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210984","14.152","0.0018","14.152","0.0019","16.149","0.002","90","","90","","120","","2801","0.6","120","2","","","","","","","","","","4","R -3 :H","-R 3","148","","Hexakis(4-methylphenoxy)disiloxane","","- C42 H42 O7 Si2 -","- C42 H42 O7 Si2 -","- C126 H126 O21 Si6 -","3","0.166667","EZ2044","Grubba, Rafal; Chojnacki, Jaroslaw; Wojnowski, Wieslaw; Pikies, Jerzy","Hexakis(4-methylphenoxy)disiloxane","Acta Crystallographica Section E","2006","62","11","o5312","o5314","10.1107/S1600536806044059","","","0.71073","MoKα","","","0.047","","","","0.124","","","","","","1.07","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210985","10.087","0.002","11.345","0.002","11.358","0.002","101.55","0.03","104.42","0.03","106.62","0.03","1153.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2-(2-Methoxyphenyl)-1H-benzimidazole","2-(2-Methoxyphenyl)-1H-benzimidazole","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","2","FB2014","Navarrete-Vázquez, Gabriel; Moreno-Diaz, Hermenegilda; Estrada-Soto, Samuel; Tlahuext, Hugo","2-(2-Methoxyphenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2006","62","11","o4816","o4818","10.1107/S1600536806039699","","","0.71073","MoKα","","0.0616","0.0524","","","0.1303","0.1393","","","","","","1.152","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210986","10.155","0.002","10.261","0.002","14.382","0.003","90","","102.33","0.02","90","","1464","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tetraazaphenalene","5,8-Diethyl-6,9-dithioxo-2,3,5,6,8,9-hexahydro-(1H)-3a,5,8,9a- tetraazaphenalene-4,7-dione","","- C13 H16 N4 O2 S2 -","- C13 H16 N4 O2 S2 -","- C52 H64 N16 O8 S8 -","4","1","FB2024","Yadava, Umesh; Goel, Atul; Ram, Vishnu Ji; Maulik, Prakas R.","5,8-Diethyl-6,9-dithioxo-2,3,5,6,8,9-hexahydro-1<i>H</i>-3a,5,8,9a-tetraazaphenalene-4,7-dione","Acta Crystallographica Section E","2006","62","11","o4991","o4993","10.1107/S1600536806041286","","","0.71073","MoKα","","0.0879","0.068","","","0.1936","0.2188","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210987","6.3","0.0018","6.5486","0.0019","6.5488","0.0019","93.904","0.017","107.685","0.016","107.305","0.014","242","0.13","293","","293","","","","","","","","","3","P -1","-P 1","2","","Neodymium orthoborate","","- B Nd O3 -","- B Nd O3 -","- B4 Nd4 O12 -","4","2","FB2025","Samuel Noirault; Olivier Joubert; Maria Teresa Caldes; Yves Piffard","High-temperature form of neodymium orthoborate, NdBO~3~","Acta Crystallographica Section E","2006","62","11","i228","i230","10.1107/S1600536806042905","","","0.71069","MoKα","","0.0421","0.0272","","","0.0243","0.0262","","","","","","1.87","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2210988","7.6525","0.0002","19.2946","0.0006","8.0851","0.0002","90","","115.547","0.001","90","","1077.07","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1- Carbethoxy-7-formylindole","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","FB2026","Senthil Kumar, G.; Chinnakali, K.; Balamurugan, R.; Mohanakrishnan, A.K.; Fun, Hoong-Kun","Ethyl 7-formyl-1<i>H</i>-indole-1-carboxylate","Acta Crystallographica Section E","2006","62","11","o4909","o4910","10.1107/S1600536806040335","","","0.71073","MoKα","","0.1433","0.059","","","0.1532","0.1899","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210989","11.311","0.002","10.928","0.002","11.744","0.002","90","","99.409","0.002","90","","1432.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trihydrogen hexahydroxooctadecaoxoaluminiumhexamolybdenum decahydrate","","- Al H29 Mo6 O34 -","- Al Mo6 O34 -","- Al2 Mo12 O68 -","2","0.5","FI2011","Liu, Ying; Dou, Jian-Min; Wang, Da-Qi; Zhang, Xian-Xi; Zhou, Lei","H~3~[AlMo~6~(OH)~6~O~18~]·10H~2~O","Acta Crystallographica Section E","2006","62","11","i234","i235","10.1107/S1600536806044321","","","0.71073","MoKα","","0.052","0.042","","","0.121","0.132","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210990","8.6421","0.0002","13.6999","0.0003","21.3983","0.0005","90","","94.344","0.002","90","","2526.19","0.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(dicyanamidato-κN)(di-2-pyridylamine-κ^2^N,N')nickel(II)","","- C24 H18 N12 Ni -","- C24 H18 N12 Ni -","- C96 H72 N48 Ni4 -","4","0.5","FI2013","Cui-Ying Huang; Yong Fang; Yuan-Peng Gu; Lan-Cui Zhang; Wan-Sheng You","Bis(dicyanamidato-κ<i>N</i>)(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)","Acta Crystallographica Section E","2006","62","11","m3068","m3070","10.1107/S1600536806042991","","","0.71073","MoKα","","0.079","0.044","","","0.099","0.115","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210991","5.951","0.003","17.803","0.006","12.018","0.002","90","","102.39","0.03","90","","1243.6","0.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Benzoyl-4-hydroxy-2H-isoquinolin-1-one","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C64 H44 N4 O12 -","4","1","FL2049","Brito-Arias, Marco; Castillo-Juárez, Karla; Molins, Elies","3-Benzoyl-4-hydroxyisoquinolin-1(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o5261","o5262","10.1107/S1600536806043571","","","0.71073","MoKα","","0.0888","0.0415","","","0.102","0.1174","","","","","","1.018","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210992","6.328","0.001","10.558","0.002","17.553","0.004","74.57","0.02","81.76","0.02","79.03","0.02","1104.5","0.4","288","2","288","2","","","","","","","","3","P 1","P 1","1","","11α,12β-acetonyltenacigenin B 3-O-6-deoxy -3-O-methyl-β-D-allopyranosyl-(1\ρightarrow4)-β-D-oleandropyranoside acetone solvate","","- C41 H66 O13 -","- C41 H66 O13 -","- C41 H66 O13 -","1","1","FL2058","Qi-Fa Li; Xiao-Ling Wang; Kai-Bei Yu; Shu-Lin Peng; Li-Sheng Ding","11α,12β-Acetonyltenacissoside F acetone solvate: a new polyoxypregnane glycoside from the stems of <i>Marsdenia tenacissima</i>","Acta Crystallographica Section E","2006","62","11","o5255","o5256","10.1107/S1600536806042048","","","0.71073","MoKα","","0.0559","0.0412","","","0.0976","0.1026","","","","","","0.965","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210993","15.3791","0.0017","13.2941","0.0014","17.0078","0.0019","90","","90","","90","","3477.3","0.7","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hydroxy-diphenyl-acetic acid 1-methyl-piperidin-4-yl ester","1-Methylpiperidin-4-yl hydroxydiphenylacetate","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C160 H184 N8 O24 -","8","1","FL2060","Fu, De-Cai; Sun, Feng-Xia; Liu, Qian; Lv, Hai-Jun","1-Methylpiperidin-4-yl hydroxydiphenylacetate","Acta Crystallographica Section E","2006","62","11","o5284","o5285","10.1107/S1600536806044035","","","0.7107","MoKα","","0.0532","0.0428","","","0.1024","0.1088","","","","","","1.096","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210994","11.4457","0.0017","12.1201","0.0018","17.054","0.003","80.079","0.002","75.752","0.002","81.631","0.002","2245.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,3,7,8-Tetrakis(5-chlorothien-2-yl)pyrazino[2,3-<i>g</i>]quinoxaline‒para-xylene (3/2)","","- C94 H50 Cl12 N12 S12 -","- C94 H50 Cl12 N12 S12 -","- C94 H50 Cl12 N12 S12 -","1","0.5","FL2061","Bellizzi, Mary; Crundwell, Guy; Zeller, Matthias; Hunter, Allen D.; McBurney, Brian","2,3,7,8-Tetrakis(5-chlorothien-2-yl)pyrazino[2,3-<i>g</i>]quinoxaline‒<i>para</i>-xylene (3/2)","Acta Crystallographica Section E","2006","62","11","o5249","o5251","10.1107/S1600536806043248","","","0.71073","MoKα","","0.0415","0.0387","","","0.1024","0.1045","","","","","","1.038","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210995","10.212","0.002","9.696","0.002","36.927","0.008","90","","90","","90","","3656.3","1.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Cl N3 O2 -","- C20 H16 Cl N3 O2 -","- C160 H128 Cl8 N24 O16 -","8","1","FL2062","Zhang, Qiao-Zhen; Zhao, Yan-Li; Chen, Xin; Yu, Ming","(<i>E</i>)-<i>N</i>'-[2-(4-Chlorobenzyloxy)benzylidene]isonicotinohydrazide","Acta Crystallographica Section E","2006","62","11","o4835","o4836","10.1107/S1600536806039973","","","0.71073","MoKα","","0.102","0.0467","","","0.1131","0.1384","","","","","","1.015","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210996","7.2162","0.0018","8.604","0.002","11.103","0.003","88.843","0.003","80.748","0.003","78.3","0.003","666.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-{4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl]methyl}-1,3,4-oxadiazole-2-thione","","- C12 H11 N5 O2 S -","- C12 H11 N5 O2 S -","- C24 H22 N10 O4 S2 -","2","1","FL2063","Xiao-Ru Zhang; Min-Hua Xu; Sai Bi; Yue-Qin Yu; Shu-Sheng Zhang","5-{4-(4-Methoxyphenyl)-1<i>H</i>-1,2,3-triazol-1-yl]methyl}-1,3,4-oxadiazole-2-thione","Acta Crystallographica Section E","2006","62","11","o4866","o4867","10.1107/S1600536806040414","","","0.71073","MoKα","","0.0388","0.0356","","","0.0961","0.0994","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210997","6.8754","0.0009","12.0387","0.0015","19.338","0.002","86.138","0.002","80.977","0.002","73.673","0.002","1516.6","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","8-hydroxyquinolinium pyrazine-2,3-dicarboxylate dihydrate","8-hydroxyquinolinium 3-carboxypyrazine-2-carboxylate dihydrate","","- C15 H15 N3 O7 -","- C15 H15 N3 O7 -","- C60 H60 N12 O28 -","4","2","FL2064","Graham Smith; Urs D. Wermuth; Peter C. Healy; Jonathan M. White","The 1:1 proton-transfer compound of 8-quinolinol (oxine) with pyrazine-2,3-dicarboxylic acid: 8-hydroxyquinolinium 3-carboxypyrazine-2-carboxylate dihydrate","Acta Crystallographica Section E","2006","62","11","o5089","o5091","10.1107/S1600536806042322","","","0.71073","MoKα","","0.0484","0.0402","","","0.0992","0.103","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210998","8.7566","0.0003","9.9924","0.0002","11.91","0.0004","73.359","0.002","78.009","0.002","81.238","0.002","971.88","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-(4-fluorophenyl)-3-methyl-1- phenylindeno[1,2-b]pyrazolo[4,3-e]pyridin-5(1H)-one","","- C26 H16 F N3 O -","- C26 H16 F N3 O -","- C52 H32 F2 N6 O2 -","2","1","FL2065","Cobo, Debora; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","4-(4-Fluorophenyl)-3-methyl-1-phenylindeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one: sheets built from C—H···N, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section E","2006","62","11","o5176","o5178","10.1107/S160053680604205X","","","0.71073","MoKα","","0.059","0.0403","","","0.0995","0.1098","","","","","","1.059","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210999","25.65","0.011","7.541","0.006","15.797","0.009","90","","105.86","0.09","90","","2939","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-bromo-2-Ethoxy-2-phenyl-1-cyclohexanone oxime","3-Bromo-2-ethoxy-2-phenylcyclohexan-1-one oxime","","- C14 H18 Br N O2 -","- C14 H18 Br N O2 -","- C112 H144 Br8 N8 O16 -","8","1","FL2066","M. Periasamy; L. Anjana; S. Athimoolam; A. Ponnuswamy; S. Natarajan","3-Bromo-2-ethoxy-2-phenylcyclohexan-1-one oxime","Acta Crystallographica Section E","2006","62","11","o5116","o5118","10.1107/S1600536806042371","","","0.71073","MoKα","","0.0995","0.0343","","","0.0698","0.0856","","","","","","1.019","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211000","6.148","0.002","7.726","0.003","10.852","0.004","87.169","0.004","80.707","0.005","77.899","0.005","497.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetraaqua(pyrazole-3,5-dicarboxylato)zinc(II)","","- C5 H10 N2 O8 Zn -","- C5 H10 N2 O8 Zn -","- C10 H20 N4 O16 Zn2 -","2","1","GA2003","Xie, Hui-Dong; Xie, Cheng-Zhi; Wang, Xiao-Qing; Shen, Guang-Qiu; Shen, De-Zhong","Tetraaqua(pyrazole-3,5-dicarboxylato)zinc(II)","Acta Crystallographica Section E","2006","62","11","m3119","m3121","10.1107/S1600536806036087","","","0.71073","MoKα","","0.03","0.0256","","","0.0693","0.0724","","","","","","0.955","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211001","10.547","0.002","19.805","0.003","7.598","0.001","90","","101.26","0.02","90","","1556.5","0.4","304","2","304","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 5-cis-bromo-2,2,6-trimethyl-6-trans-phenyltetrahydropyran-3-carboxylate","","- C16 H21 Br O3 -","- C16 H21 Br O3 -","- C64 H84 Br4 O12 -","4","1","GA2006","Hartung, Jens; Greb, Marco; Svoboda, Ingrid; Fuess, Hartmut","Methyl 5-<i>cis</i>-bromo-2,2,6-trimethyl-6-<i>trans</i>-phenyltetrahydropyran-3-carboxylate","Acta Crystallographica Section E","2006","62","11","o4975","o4976","10.1107/S1600536806039055","","","0.71073","MoKα","","0.0955","0.0454","","","0.119","0.1363","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211002","21.3935","0.0004","6.706","0.0001","10.1986","0.0002","90","","90.938","0.001","90","","1462.94","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4/6-O-(para-toluenesulfonyl)-myo-inositol","","- C13 H18 O8 S -","- C13 H18 O8 S -","- C52 H72 O32 S4 -","4","1","GA2007","Daniellou, Richard; Quail, J. Wilson; Palmer, David R.J.","4/6-<i>O</i>-(<i>p</i>-Tolylsulfonyl)-<i>myo</i>-inositol","Acta Crystallographica Section E","2006","62","11","o4880","o4881","10.1107/S160053680604044X","","","0.71073","MoKα","","0.0711","0.0519","","","0.1255","0.1343","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211003","23.4679","0.0008","5.6373","0.0002","16.5149","0.0005","90","","96.104","0.002","90","","2172.46","0.13","100","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-(4-Dichlorophenyl)-3-(2,5-dimethoxyphenyl)pentane-1,5-dione","","- C25 H22 Cl2 O4 -","- C25 H22 Cl2 O4 -","- C100 H88 Cl8 O16 -","4","1","GA2012","Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; S. M. Dharmaprakash; Ibrahim Abdul Razak; Balakrishna Kalluraya","1,5-(4-Dichlorophenyl)-3-(2,5-dimethoxyphenyl)pentane-1,5-dione","Acta Crystallographica Section E","2006","62","11","o5024","o5026","10.1107/S1600536806039638","","","0.71073","MoKα","","0.0825","0.0505","","","0.1052","0.1196","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211004","9.24","0.003","16.124","0.008","14.148","0.007","90","","92.07","0.04","90","","2106.5","1.6","289","2","289","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[O,O'-bis(2-phenylethyl) dithiophosphato]dipyridinenickel(II)","","- C42 H46 N2 Ni O4 P2 S4 -","- C42 H46 N2 Ni O4 P2 S4 -","- C84 H92 N4 Ni2 O8 P4 S8 -","2","0.5","GG2003","Zou, Li-Ke; Xie, Bin; Zhao, Bin; Jiang, Wei-Dong; Wu, Yu","Bis[<i>O</i>,<i>O</i>'-bis(2-phenylethyl)dithiophosphato]dipyridinenickel(II)","Acta Crystallographica Section E","2006","62","11","m2830","m2831","10.1107/S1600536806039936","","","0.71073","MoKα","","0.0908","0.047","","","0.1204","0.1428","","","","","","1.101","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211005","9.0635","0.0002","16.7776","0.0001","20.8156","0.0004","90","","97.096","0.001","90","","3141.05","0.09","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(1-Phenyl-1,2-dihydro-2-pyridyl)pyridin-2-amine tetraphenylborate","","- C40 H34 B N3 -","- C40 H34 B N3 -","- C160 H136 B4 N12 -","4","1","GG2005","Youngme, Sujittra; Wannarit, Nanthawat; Chaichit, Narongsak","<i>N</i>-(1-Phenyl-1,2-dihydro-2-pyridyl)pyridin-2-amine tetraphenylborate","Acta Crystallographica Section E","2006","62","11","o5265","o5267","10.1107/S1600536806043467","","","0.71073","MoKα","","0.0747","0.0493","","","0.1106","0.1254","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211006","14.694","0.003","8.9004","0.0014","7.1127","0.0012","90","","100.645","0.008","90","","914.2","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","GG2010","Guo, Xianghai; Shen, Jiaxiang; Wang, Liang; Zhou, Guangzeng","<i>N</i>-Formyl-4-methoxy-2-methylaniline","Acta Crystallographica Section E","2006","62","11","o4862","o4863","10.1107/S160053680604058X","","","0.71073","MoKα","","0.0833","0.0462","","","0.1116","0.1316","","","","","","1.011","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211007","22.233","0.003","4.839","0.0005","18.438","0.002","90","","112.575","0.002","90","","1831.7","0.4","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-hydroxy-2-((4-hydroxy-1-oxo-phthalazin-2(1H)-yl)methyl)phthalazin-1(2H)-one methanol disolvate","","- C19 H20 N4 O6 -","- C19 H20 N4 O6 -","- C76 H80 N16 O24 -","4","0.5","GG2011","Hu, Sheng-li; Guo, Hui-Zhen; Chen, Ai-Hua","4-Hydroxy-2-[(4-hydroxy-1-oxo-1,2-dihydrophthalazin-2-yl)methyl]phthalazin-1(2<i>H</i>)-one methanol disolvate","Acta Crystallographica Section E","2006","62","11","o4922","o4923","10.1107/S1600536806040748","","","0.71073","MoKα","","0.0621","0.0497","","","0.1394","0.1453","","","","","","1.001","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211008","10.2917","0.0001","3.897","0.0001","17.0919","0.0002","90","","107.313","0.001","90","","654.44","0.02","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","3-(3-Bromophenyl)-1-(4-meyhoxyphenyl)prop-2-en-1-one","3-(3-Bromophenyl)-1-(4-meyhoxyphenyl)prop-2-en-1-one","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C32 H26 Br2 O4 -","2","1","GG2012","P. S. Patil; Mohd Mustaqim Rosli; Hoong-Kun Fun; Ibrahim Abdul Razak; Vedavati G. Puranik; S. M. Dharmaprakash","3-(3-Bromophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o4798","o4799","10.1107/S1600536806039778","","","0.71073","MoKα","","0.0289","0.0235","","","0.0568","0.0674","","","","","","1.083","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211009","5.986","0.001","7.656","0.003","15.552","0.001","95.62","0.02","92.77","0.01","110.94","0.03","659.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Configurational and Conformational assignment in 1-Acetoxy-2-hydroxy-2-(2-methylphenyl)cyclohexane","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","GG2013","M. Periasamy; N. Subbulakshmi; J. Suresh; A. Ponnuswamy; S. Natarajan","2-Hydroxy-2-(2-methylphenyl)cyclohexyl acetate","Acta Crystallographica Section E","2006","62","11","o4966","o4968","10.1107/S1600536806041134","","","0.71073","MoKα","","0.0561","0.0408","","","0.1046","0.1148","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211010","13.546","0.004","33.654","0.011","3.7035","0.0012","90","","90","","90","","1688.3","0.9","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","1,4-Dihydro-3,6-dipyrazin-2-yl-1,2,4,5-tetrazine‒benzene-1,3-dicarboxylic acid (1/1)","","- C18 H14 N8 O4 -","- C18 H14 N8 O4 -","- C72 H56 N32 O16 -","4","0.5","GG2015","Ji-Lin Lu; Da-Shun Zhang; Lin Li; Bei-Ping Liu","1,4-Dihydro-3,6-dipyrazin-2-yl-1,2,4,5-tetrazine‒benzene-1,3-dicarboxylic acid (1/1)","Acta Crystallographica Section E","2006","62","11","o4855","o4857","10.1107/S1600536806039894","","","0.71073","MoKα","","0.0825","0.0398","","","0.0821","0.0981","","","","","","0.996","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211011","18.9396","0.001","14.497","0.0008","6.6729","0.0004","90","","90","","90","","1832.16","0.18","295","2","295","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","{2-[(E)-(2-Chlorophenoxyacetyl)hydrazonomethyl]phenolato}(imidazolyl)nickel(II)","","- C18 H15 Cl N4 Ni O3 -","- C18 H15 Cl N4 Ni O3 -","- C72 H60 Cl4 N16 Ni4 O12 -","4","1","GK2027","Zhang, Hong-Hai","{2-[(<i>E</i>)-(2-Chlorophenoxyacetyl)hydrazonomethyl]phenolato}(imidazolyl)nickel(II)","Acta Crystallographica Section E","2006","62","11","m3110","m3111","10.1107/S1600536806044308","","","0.71073","MoKα","","0.0379","0.0334","","","0.0825","0.085","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211012","4.1838","0.0005","17.608","0.002","15.181","0.002","90","","94.959","0.002","90","","1114.2","0.2","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3-Dihydro-1-methoxy-6-methylfuro[3,4-c]pyridinium-7-ol chloride monohydrate","","- C9 H14 Cl N O4 -","- C9 H14 Cl N O4 -","- C36 H56 Cl4 N4 O16 -","4","1","GK2029","Andreas Decken; Richard J. Burford; Daniel G. Beach; Stephen A. Westcott","7-Hydroxy-1-methoxy-6-methyl-1,3-dihydrofuro[3,4-<i>c</i>]pyridinium chloride monohydrate","Acta Crystallographica Section E","2006","62","11","o5263","o5264","10.1107/S160053680604387X","","","0.71073","MoKα","","0.0352","0.0314","","","0.0863","0.089","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211013","11.4746","0.0016","12.5849","0.0017","17.284","0.002","90","","96.647","0.002","90","","2479.1","0.6","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(4,7-diphenyl-1,10-phenanthroline)zinc(II)]-μ-benzene-1,3-dicarboxylato] monohydrate]","","- C32 H22 N2 O5 Zn -","- C32 H22 N2 O5 Zn -","- C128 H88 N8 O20 Zn4 -","4","1","HB2087","Li, Xiu-Mei; Wang, Qing-Wei; Liu, Bo","Poly[[[(4,7-diphenyl-1,10-phenanthroline)zinc(II)]-μ-benzene-1,3-dicarboxylato] monohydrate]","Acta Crystallographica Section E","2006","62","11","m2813","m2815","10.1107/S160053680603193X","","","0.71073","MoKα","","0.0401","0.0349","","","0.0982","0.1006","","","","","","1.125","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211014","11.366","0.01","14.914","0.014","15.534","0.01","90","","132","0.04","90","","1957","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[bis(acetylacetonato-κ^2^O,O')zinc(II)]-μ-4,4'-bipyridyl-κ^2^N:N']","","- C20 H22 N2 O4 Zn -","- C20 H22 N2 O4 Zn -","- C80 H88 N8 O16 Zn4 -","4","1","HB2144","Qian, Bao-Hua; Ma, Wei-Xing; Lu, Lu-De; Yang, Xu-Jie; Wang, Xin","<i>catena</i>-Poly[[bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]-μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2006","62","11","m2818","m2819","10.1107/S1600536806039572","","","0.71073","MoKα","","0.0742","0.0392","","","0.0889","0.1072","","","","","","1.007","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211015","10.6715","0.0009","13.7064","0.0011","9.2785","0.0008","90","","110.176","0.001","90","","1273.87","0.18","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4,5,5-Tetramethyl-2-(2-thieyl)imidazolidine-1,3-diol","","- C11 H18 N2 O2 S -","- C11 H18 N2 O2 S -","- C44 H72 N8 O8 S4 -","4","1","HB2154","Kai Jiang; Xiao-Qiang Wang; Li-Ya Wang; Yu-Fang Wang","4,4,5,5-Tetramethyl-2-(2-thienyl)imidazolidine-1,3-diol","Acta Crystallographica Section E","2006","62","11","o4814","o4815","10.1107/S1600536806039687","","","0.71073","MoKα","","0.0936","0.0791","","","0.2086","0.2223","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","201974","2020-10-21","18:00:00",""
"2211016","10.669","0.001","7.34","0.001","19.851","0.002","90","","104.819","0.005","90","","1502.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(pyridine-<i>κ</i><i>N</i>)copper(II)]-μ-<i>N</i>-3- carboxysalicylideneglycinato- <i>κ</i>^4^<i>N</i>,<i>O</i>,<i>O</i>':<i>O</i>') hydrate]","","- C15 H14 Cu N2 O6 -","- C15 H14 Cu N2 O6 -","- C60 H56 Cu4 N8 O24 -","4","1","HB2157","Cai, Jin-Hua; Huang, Ying-Heng; Jiang, Yi-Min; Ng, Seik Weng","<i>catena</i>-Poly[[[(pyridine-<i>{κ</i>N})copper(II)]-μ-<i>N</i>-(3-carboxysalicylidene)glycinato-<i>{κ</i>}^4^<i>N</i>,<i>O</i>,<i>O</i>':<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2006","62","11","m2823","m2825","10.1107/S1600536806040402","","","0.71073","MoKα","","0.059","0.041","","","0.09","0.095","","","","","","0.9","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211017","5.2273","0.001","14.201","0.003","15.165","0.003","90","","91.8","0.03","90","","1125.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ethyl (E)-[1-(2-hydroxyethyl)-2-imidazolidinylidene]cyanoacetate","Ethyl 2-cyano-2-[(E)-1-(2-hydroxyethyl)imidazolidin-2-ylidene]acetate","","- C10 H15 N3 O3 -","- C10 H15 N3 O3 -","- C40 H60 N12 O12 -","4","1","HB2158","Liao, Jiang-Peng; Zhang, Ti; Yu, Chu-Yi; Huang, Zhi-Tang","Ethyl 2-cyano-2-[(<i>E</i>)-1-(2-hydroxyethyl)imidazolidin-2-ylidene]acetate","Acta Crystallographica Section E","2006","62","11","o5161","o5162","10.1107/S1600536806042759","","","0.71073","MoKα","","0.057","0.0432","","","0.121","0.1288","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211018","15.0115","0.0017","15.5106","0.0019","18.965","0.002","90","","110.74","0.002","90","","4129.6","0.8","292","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis-μ-benzene-1,3-dicarboxylato-κ^4^O,O':O'',O'''-bis(benzene-1,3- dicarboxylato-O)(2-furan-2-yl-1H-imidazo[4,5-f]-1,10-phenanthroline- κ^2^N,N')cadmium(II)]","","- C25 H14 Cd N4 O5 -","- C25 H14 Cd N4 O5 -","- C200 H112 Cd8 N32 O40 -","8","1","HB2159","Chuan-Bi Li; Yan-Wei Li; Bo liu; Wei Fang","Poly[bis(μ~3~-benzene-1,3-dicarboxylato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis(benzene-1,3-dicarboxylato-κ<i>O</i>)(2-furan-2-yl-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","Acta Crystallographica Section E","2006","62","11","m2875","m2877","10.1107/S1600536806040311","","","0.71073","MoKα","","0.0674","0.0419","","","0.1009","0.1158","","","","","","0.973","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211019","6.074","0.001","23.338","0.003","8.527","0.002","90","","96.84","0.03","90","","1200.1","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","Acetaldehyde 2,4-dinitrophenylhydrazone","(<i>E</i>)-1-benzylidene-2-(4-nitrophenyl)hydrazone","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","HB2160","Yin, Zhi-Gang; Qian, Heng-Yu; Jia Jia; Zhou Na; Feng, Ling-Qin","(<i>E</i>)-1-Benzylidene-2-(4-nitrophenyl)hydrazine","Acta Crystallographica Section E","2006","62","11","o4913","o4914","10.1107/S1600536806040372","","","0.71073","MoKα","","0.1242","0.0349","","","0.0574","0.074","","","","","","0.722","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211020","7.7153","0.0003","7.627","0.0004","20.3497","0.0007","90","","95.56","0.002","90","","1191.84","0.09","200","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Amino-1-(3-bromophenyl)-3-cyanopyrazolo[4,3-d]pyrimidine","","- C12 H7 Br N6 -","- C12 H7 Br N6 -","- C48 H28 Br4 N24 -","4","1","HB2161","Oliveira-Campos, Ana Maria Ferreira; Rodrigues, Ligia M.; Kaja, Martin; Guilardi, Silvana; Franca, Eduardo de Faria; Ellena, Javier","7-Amino-1-(3-bromophenyl)-3-cyanopyrazolo[4,3-<i>d</i>]pyrimidine","Acta Crystallographica Section E","2006","62","11","o5246","o5248","10.1107/S1600536806043005","","","0.71073","MoKα","","0.0501","0.0334","","","0.0814","0.0872","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211021","7.124","0.004","7.47","0.004","11.488","0.008","77.1","0.03","78.6","0.03","64.03","0.02","532.3","0.6","293","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H26 Ni O14 -","- C16 H26 Ni O14 -","- C16 H26 Ni O14 -","1","0.5","HB2162","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","Tetraaquabis(4-formylbenzoato-κ<i>O</i>)nickel(II) tetrahydrate","Acta Crystallographica Section E","2006","62","11","m2904","m2905","10.1107/S1600536806040815","","","0.71073","MoKα","","0.031","0.028","","","0.079","0.08","","","","","","1.1","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2211022","7.308","0.005","7.344","0.005","9.973","0.009","68.69","0.06","83.64","0.06","62.63","0.09","441.8","0.7","293","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 Cu O10 -","- C16 H18 Cu O10 -","- C16 H18 Cu O10 -","1","0.5","HB2163","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","Diaquabis(4-formylbenzoato-<i>{κ</i>O})copper(II) dihydrate","Acta Crystallographica Section E","2006","62","11","m2906","m2907","10.1107/S1600536806040827","","","0.71073","MoKα","","0.046","0.042","","","0.12","0.125","","","","","","1.08","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2211023","21.737","0.004","12.494","0.002","22.115","0.004","90","","113.346","0.002","90","","5514.3","1.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2-Aminoethanesulfonate-κ^2^N,O)bis(1,10-phenanthroline- κ^2^N,N')cobalt(II) perchlorate monohydrate","","- C26 H24 Cl Co N5 O8 S -","- C26 H22 Cl Co N5 O8 S -","- C208 H176 Cl8 Co8 N40 O64 S8 -","8","2","HB2164","Cai, Jin-Hua; Jiang, Yi-Min; Ng, Seik Weng","(2-Aminoethanesulfonato-κ^2^<i>N</i>,<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) perchlorate monohydrate","Acta Crystallographica Section E","2006","62","11","m3059","m3061","10.1107/S1600536806041584","","","0.71073","MoKα","","0.058","0.05","","","0.125","0.131","","","","","","1.16","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211024","9.56","0.004","13.306","0.006","13.832","0.007","90","","108.81","0.02","90","","1665.5","1.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl2 Cu3 N10 -","- C12 H8 Cl2 Cu3 N10 -","- C48 H32 Cl8 Cu12 N40 -","4","1","HB2165","Zhang, Chong; Ai, Hong-Qi; Ng, Seik Weng","<i>catena</i>-Poly[[μ-chloro-dicopper(I)]-μ~3~-5-(2-pyridyl)-1<i>H</i>-tetrazolato-copper(II)-μ~2~-5-(2-pyridyl)-1<i>H</i>-tetrazolato]","Acta Crystallographica Section E","2006","62","11","m2908","m2909","10.1107/S1600536806040682","","","0.71073","MoKα","","0.072","0.052","","","0.14","0.152","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211025","5.5347","0.0013","18.709","0.0017","25.559","0.002","90","","90","","90","","2646.6","0.7","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3,4,6-Tetra-O-acetyl-2-deoxy-2-tetrachlorophthalimido-α-D-glucopyranoside","","- C22 H19 Cl4 N O11 -","- C22 H19 Cl4 N O11 -","- C88 H76 Cl16 N4 O44 -","4","1","HB2166","Yu, Chu-Yi; Qiao, Yan; Gao, Hong-Yun","1,3,4,6-Tetra-<i>O</i>-acetyl-2-deoxy-2-tetrachlorophthalimido-α-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2006","62","11","o5123","o5124","10.1107/S160053680604236X","","","0.7107","MoKα","","0.0613","0.0522","","","0.106","0.1113","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211026","8.0242","0.0015","17.487","0.003","17.969","0.003","90","","90","","90","","2521.4","0.8","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl4 N O7 -","- C24 H19 Cl4 N O7 -","- C96 H76 Cl16 N4 O28 -","4","1","HB2167","Yu, Chu-Yi; Qiao, Yan; Gao, Hong-Yun","Allyl 4,6-<i>O</i>-benzylidene-2-deoxy-2-tetrachlorophthalimido-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2006","62","11","o5163","o5164","10.1107/S1600536806043674","","","0.71073","MoKα","","0.0832","0.0425","","","0.0794","0.0946","","","","","","0.959","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211027","12.685","0.003","20.073","0.004","8.309","0.0017","90","","102.87","0.03","90","","2062.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2,6-Dimethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","HB2168","Ding, Wei-Lin; Wang, Pin-Liang; Xing, Zhi-Tao; Wang, Hai-Bo","<i>N</i>-(2,6-Dimethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide","Acta Crystallographica Section E","2006","62","11","o4950","o4951","10.1107/S1600536806041638","","","0.71073","MoKα","","0.148","0.0872","","","0.2184","0.2556","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211028","7.643","0.005","14.463","0.009","16.879","0.011","87.596","0.014","78.218","0.013","85.906","0.013","1821","2","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-sulfato-bis[diaqua(dipyrido[3,2-a:2',3'-c]phenazine)iron(II)] monohydrate","","- C36 H30 Fe2 N8 O13 S2 -","- C36 H30 Fe2 N8 O13 S2 -","- C72 H60 Fe4 N16 O26 S4 -","2","1","HB2170","Chuan-Bi Li; En-Jie Dong; Wei Fang; Bo Liu; Yan-Wei Li","Di-μ-sulfato-bis[diaqua(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)iron(II)] monohydrate","Acta Crystallographica Section E","2006","62","11","m3122","m3124","10.1107/S160053680604400X","","","0.71073","MoKα","","0.1574","0.0647","","","0.0871","0.1088","","","","","","0.916","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211029","23.601","0.005","10.798","0.002","14.698","0.003","90","","90","","90","","3745.7","1.3","294","2","294","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","(E)-N'-[3-Methoxy-4-(4-nitrobenzyloxy)benzylidene]isonicotinohydrazide","","- C21 H18 N4 O5 -","- C21 H18 N4 O5 -","- C168 H144 N32 O40 -","8","1","HB2171","Diao, Chun-Hua; Yu, Ming","(<i>E</i>)-<i>N</i>'-[3-Methoxy-4-(4-nitrobenzyloxy)benzylidene]isonicotinohydrazide","Acta Crystallographica Section E","2006","62","11","o5209","o5210","10.1107/S1600536806042954","","","0.71073","MoKα","","0.1264","0.054","","","0.1233","0.1532","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","201974","2020-10-21","18:00:00",""
"2211030","10.08","0.002","12.146","0.002","12.486","0.003","62.96","0.03","75.36","0.03","75.12","0.03","1299.4","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Monopotassium monosodium hexahydrogen α-hexamolybdoplatinate(IV) hexahydrate","","- H18 K Mo6 Na O30 Pt -","- H14 K Mo6 Na O30 Pt -","- H28 K2 Mo12 Na2 O60 Pt2 -","2","1","HB2172","Lee, Uk; Joo, Hea-Chung","Monopotassium monosodium hexahydrogen α-hexamolybdoplatinate(IV) hexahydrate","Acta Crystallographica Section E","2006","62","11","i231","i233","10.1107/S1600536806043157","","","0.71069","MoKα","","0.0365","0.031","","","0.0778","0.0819","","","","","","1.151","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2211031","5.1087","0.0008","5.1087","0.0008","13.767","0.002","90","","90","","120","","311.17","0.08","292","3","292","3","","","","","","","","3","R 3 :H","R 3","146","","Trinickel(II) tellurium(VI) hexaoxide","","- Ni3 O6 Te -","- Ni3 O6 Te -","- Ni9 O18 Te3 -","3","0.333333","HB2175","Becker, Richard; Berger, Helmuth","Reinvestigation of Ni~3~TeO~6~","Acta Crystallographica Section E","2006","62","11","i222","i223","10.1107/S1600536806043042","","","0.71073","MoKα","","0.0247","0.0242","","","0.0586","0.0588","","","","","","1.077","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211032","19.343","0.002","9.9221","0.0012","18.996","0.002","90","","107.798","0.002","90","","3471.3","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Iodotriphenyltin(IV)","","- C18 H15 I Sn -","- C18 H15 I Sn -","- C144 H120 I8 Sn8 -","8","2","HB2177","Mao, Wu-Tao; Tian, Lai-Jin; Gu, Ke-Qiang; Sun, Yu-Xi","Iodotriphenyltin(IV): a monoclinic polymorph","Acta Crystallographica Section E","2006","62","11","m3054","m3055","10.1107/S1600536806043285","","","0.71073","MoKα","","0.0635","0.0456","","","0.1223","0.1328","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211033","13.715","0.002","11.123","0.002","20.99","0.003","90","","108.034","0.002","90","","3044.8","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{2,4-dichloro-6-[2-(isopropylamino)ethyliminomethyl]phenolato}cobalt(III) perchlorate monohydrate","","- C24 H32 Cl5 Co N4 O7 -","- C24 H32 Cl5 Co N4 O7 -","- C96 H128 Cl20 Co4 N16 O28 -","4","1","HB2178","Xiao-Fan Zhao","Bis{2,4-dichloro-6-[2-(isopropylamino)ethyliminomethyl]phenolato}cobalt(III) perchlorate monohydrate","Acta Crystallographica Section E","2006","62","11","m3065","m3067","10.1107/S1600536806043455","","","0.71073","MoKα","","0.0975","0.0573","","","0.134","0.1528","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2211034","12.181","0.001","13.734","0.001","16.532","0.001","101.1","0.01","96.77","0.01","92.93","0.01","2687.3","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","N-butoxycarbonyl-diphenylphosphinyl-hydroxylamine","tert-Butyl N-(phosphinoyloxy)carbamate","","- C17 H20 N O4 P -","- C17 H20 N O4 P -","- C102 H120 N6 O24 P6 -","6","3","HB2179","Blatch, Alexandrea J.; Howard, Judith A. K.; Probert, Michael R.; Smethurst, Christian A.; Whiting, Andrew","<i>tert</i>-Butyl <i>N</i>-(phosphinoyloxy)carbamate","Acta Crystallographica Section E","2006","62","11","o5346","o5348","10.1107/S1600536806044783","","","0.71073","MoKα","","0.0568","0.0434","","","0.1161","0.1253","","","","","","0.997","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211035","5.8461","0.0012","10.884","0.002","16.607","0.003","89.79","0.03","80.44","0.03","75.1","0.03","1006.1","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(dipyrido[3,2-a:2',3'-c]phenazine)zinc(II)]-μ~3~-benzene-1,2- dicarboxylato]","","- C26 H14 N4 O4 Zn -","- C26 H14 N4 O4 Zn -","- C52 H28 N8 O8 Zn2 -","2","1","HB2180","Shou-Cai Zhang; Jun Sun","Poly[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)zinc(II)]-μ~3~-benzene-1,2-dicarboxylato]","Acta Crystallographica Section E","2006","62","11","m3107","m3109","10.1107/S1600536806044217","","","0.71073","MoKα","","0.0747","0.0526","","","0.096","0.1031","","","","","","1.021","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211036","7.123","0.001","11.425","0.002","15.785","0.002","90","","90","","90","","1284.6","0.3","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-4,5-Diphenylimidazolidin-2-one","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","HB2181","Siegler, Maxime; Long, Sihui","(4<i>R</i>,5<i>R</i>)-4,5-Diphenylimidazolidin-2-one","Acta Crystallographica Section E","2006","62","11","o5310","o5311","10.1107/S1600536806044382","","","0.71073","MoKα","","0.0509","0.0389","","","0.0933","0.1002","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211037","7.9974","0.0012","9.3928","0.0015","12.405","0.0019","90","","107.047","0.002","90","","890.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","magnesium sulfate trimethanolate","","","- C3 H12 Mg O7 S -","- C3 H12 Mg O7 S -","- C12 H48 Mg4 O28 S4 -","4","1","HG2099","Ulrike E. I. Horvath; Helgard G. Raubenheimer","Poly[[trimethanolmagnesium]-μ~3~-sulfato]","Acta Crystallographica Section E","2006","62","11","m2883","m2885","10.1107/S1600536806041201","","","0.71073","MoKα","","0.0489","0.0429","","","0.1039","0.1079","","","","","","0.985","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211038","22.312","0.003","35.968","0.005","15.3","0.002","90","","90","","90","","12279","3","130","2","130","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","(S)-[2-(1-Aminoethyl)phenyl]chloro(3-chloropyridine)palladium(II) acetone 0.25-solvate","","- C13.75 H15.5 Cl2 N2 O0.25 Pd -","- C13.75 H15.5 Cl2 N2 O0.25 Pd -","- C440 H496 Cl64 N64 O8 Pd32 -","32","4","HG2100","Calmuschi-Cula, Beatrice; Timofte, Claudia; Englert, Ulli","(<i>S</i>)-[2-(1-Aminoethyl)phenyl]chloro(3-chloropyridine)palladium(II) acetone 0.25-solvate","Acta Crystallographica Section E","2006","62","11","m2791","m2793","10.1107/S160053680603902X","","","0.71073","MoKα","","0.0338","0.029","","","0.0613","0.0628","","","","","","0.99","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211039","5.9162","0.0008","8.5485","0.0012","13.6553","0.0018","76.734","0.016","82.755","0.016","70.068","0.015","631.05","0.16","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N8 O2 -","- C30 H22 N8 O2 -","- C30 H22 N8 O2 -","1","0.5","HG2109","Antonia Neels; Helen Stoeckli-Evans","2,3,7,8-Tetra-2-pyridylpyrazino[2,3-<i>g</i>]quinoxaline dihydrate","Acta Crystallographica Section E","2006","62","11","o4979","o4980","10.1107/S1600536806041213","","","0.71073","MoKα","","0.0447","0.0321","","","0.0811","0.0846","","","","","","0.95","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211040","9.6943","0.0019","14.775","0.003","25.693","0.005","90","","90","","90","","3680.1","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-(1H-imidazol-2-yl)phenolato-κ^2^N,O]zinc(II) methanol solvate","","- C19 H18 N4 O3 Zn -","- C19 H18 N4 O3 Zn -","- C152 H144 N32 O24 Zn8 -","8","1","HG2110","He, Hong-Shan","Bis[2-(1<i>H</i>-imidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]zinc(II) methanol solvate","Acta Crystallographica Section E","2006","62","11","m3042","m3043","10.1107/S1600536806042796","","","0.71073","MoKα","","0.1775","0.0857","","","0.1591","0.2139","","","","","","1.167","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211041","16.666","0.004","7.615","0.002","17.493","0.005","90","","107.951","0.004","90","","2112","1","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4-Dichloro-6-(piperidin-1-yl)-1,3,5-triazine","","- C8 H10 Cl2 N4 -","- C8 H10 Cl2 N4 -","- C64 H80 Cl16 N32 -","8","1","HG2112","Yi Deng; Xiao-Ji Wang; Fei Wen; Lei Wang; Yan Zhang","2,4-Dichloro-6-(piperidin-1-yl)-1,3,5-triazine","Acta Crystallographica Section E","2006","62","11","o5207","o5208","10.1107/S1600536806042668","","","0.71073","MoKα","","0.0787","0.0397","","","0.0944","0.1131","","","","","","1.003","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211042","8.011","0.004","8.155","0.004","8.354","0.004","86.733","0.006","87.655","0.006","71.606","0.005","516.9","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","7-Acetamido-4-methyl-2H-1-benzopyran-2-one","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C24 H22 N2 O6 -","2","1","HG2114","Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Ding, Tie-Zhu","7-Acetamido-4-methyl-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section E","2006","62","11","o5196","o5198","10.1107/S1600536806043406","","","0.71073","MoKα","","0.0848","0.0456","","","0.1136","0.1409","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211043","8.108","0.0015","19.074","0.003","17.217","0.003","90","","94.141","0.005","90","","2655.7","0.8","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","μ-1,4-Diazabicyclo[2.2.2]octane-κ^2^N:N'-bis[bis(O,O'-diisopropyl dithiophosphato-κ^2^S,S')cadmium(II)]","","- C30 H68 Cd2 N2 O8 P4 S8 -","- C30 H68 Cd2 N2 O8 P4 S8 -","- C60 H136 Cd4 N4 O16 P8 S16 -","2","1","HG2117","Ellis, Carol A.; Tiekink, Edward R. T.","μ-1,4-Diazabicyclo[2.2.2]octane-κ^2^<i>N</i>:<i>N</i>'-bis[bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)]","Acta Crystallographica Section E","2006","62","11","m3049","m3051","10.1107/S1600536806043418","","","0.7107","MoKα","","0.059","0.056","","","0.114","0.117","","","","","","1.11","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211044","16.3366","0.0008","16.3366","","16.8286","0.0007","90","","90","","120","","3889.6","0.2","293","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","Poly[diaquatris[(<i>E</i>)-4,4'-(ethene-1,2-diyl)dibenzoato]trimanganese(II)]","","- C48 H34 Mn3 O14 -","- C48 H33.96 Mn3 O14 -","- C144 H101.88 Mn9 O42 -","3","0.166667","HG2119","Wang, Huan-Yu; Gao, Shan; Zhao, Jing-Gui; Ng, Seik Weng","Poly[diaquatris[(<i>E</i>)-4,4'-(ethene-1,2-diyl)dibenzoato]trimanganese(II)]","Acta Crystallographica Section E","2006","62","11","m3127","m3128","10.1107/S1600536806044126","","","0.71073","MoKα","","0.0767","0.0692","","","0.2421","0.2508","","","","","","1.117","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211045","16.4773","0.0007","16.4773","","16.9571","0.0008","90","","90","","120","","3987.1","0.3","293","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","Poly[diaquatris[(<i>E</i>)-4,4'-(ethene-1,2-diyl)dibenzoato]tricadmium(II)]","","- C48 H34 Cd3 O14 -","- C48 H33.96 Cd3 O14 -","- C144 H101.88 Cd9 O42 -","3","0.166667","HG2120","Wang, Huan-Yu; Gao, Shan; Zhao, Jing-Gui; Ng, Seik Weng","Poly[diaquatris[(<i>E</i>)-4,4'-(ethene-1,2-diyl)dibenzoato]tricadmium(II)]","Acta Crystallographica Section E","2006","62","11","m3129","m3130","10.1107/S1600536806044138","","","0.71073","MoKα","","0.097","0.064","","","0.173","0.215","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211046","4.372","0.002","17.78","0.003","11.465","0.003","90","","97.05","0.003","90","","884.5","0.5","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Acetaldehyde 4-nitrophenylhydrazone","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C32 H36 N12 O8 -","4","1","HG2121","Xu, Jun","Acetaldehyde 4-nitrophenylhydrazone","Acta Crystallographica Section E","2006","62","11","o5305","o5306","10.1107/S1600536806044023","","","0.71073","MoKα","","0.0899","0.0602","","","0.144","0.1543","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211047","11.3986","0.0016","7.1092","0.001","24.761","0.004","90","","101.623","0.002","90","","1965.4","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(4,7-Dimethyl-1,10-phenanthroline)(ethylenediamine)platinum(II) dichloride tris(deuterium oxide) solvate","","- C16 H16 Cl2 D10 N4 O3 Pt -","- C16 H16 Cl2 D10 N4 O3 Pt -","- C64 H64 Cl8 D40 N16 O12 Pt4 -","4","1","HK2116","Brodie, Craig R.; Turner, Peter; Wheate, Nial J.; Aldrich-Wright, Janice R.","(4,7-Dimethyl-1,10-phenanthroline)(ethylenediamine)platinum(II) dichloride tris(deuterium oxide) solvate","Acta Crystallographica Section E","2006","62","11","m3137","m3139","10.1107/S1600536806043376","","","0.71073","MoKα","","0.0231","0.0178","","","0.0371","0.0382","","","","","","1.009","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211048","7.249","0.001","7.871","0.001","9.035","0.0015","72.996","0.008","74.362","0.008","68.159","0.007","450.02","0.12","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(2,6-Dimethyl-4H-pyran-4-ylidene)malononitrile","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C20 H16 N4 O2 -","2","1","HK2119","Xian-Shu Fu; Miao-Jun Zhou; Jun-Wei Sun; Dan-Dan Xiao","2-(2,6-Dimethyl-4<i>H</i>-pyran-4-ylidene)malononitrile","Acta Crystallographica Section E","2006","62","11","o4917","o4918","10.1107/S1600536806037998","","","0.71073","MoKα","","0.1006","0.0572","","","0.1585","0.1928","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211049","15.769","0.0005","14.066","0.0002","9.5009","0.0004","90","","98.06","0.003","90","","2086.55","0.11","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[bis(μ~2~-isonicotinato-κ^2^O:O')diaqua(isonicotinato-κ^2^O,O') erbium(III)]","","- C18 H16 Er N3 O8 -","- C18 H16 Er N3 O8 -","- C72 H64 Er4 N12 O32 -","4","0.5","HK2123","Guo-Ming Wang; Chun-Sheng Duan; Zeng-Xin Li; Shu-Yun Xue; Qiang Liang","<i>catena</i>-Poly[[diaqua(isonicotinato-κ^2^<i>O</i>,<i>O</i>')erbium(III)]-di-μ-isonicotinato-κ^4^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","11","m3080","m3082","10.1107/S160053680604373X","","","0.71073","MoKα","","0.0241","0.0213","","","0.0512","0.0516","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211050","6.545","0.0013","8.145","0.0016","15.863","0.003","97.26","0.03","98.66","0.03","112.91","0.03","754","0.3","294","2","298","2","","","","","","","","4","P -1","-P 1","2","","Bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate","","- C28 H52 N2 O4 -","- C28 H52 N2 O4 -","- C28 H52 N2 O4 -","1","0.5","HK2127","Qin Zhou; Wen-Yuan Wu; Xu-Sheng Gao; Cheng Yao; Jin-Tang Wang","Bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate","Acta Crystallographica Section E","2006","62","11","o4778","o4779","10.1107/S1600536806039158","","","0.71073","MoKα","","0.1415","0.097","","","0.2332","0.2445","","","","","","1.408","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211051","7.5581","0.0006","16.5803","0.0013","17.255","0.0014","90","","101.534","0.001","90","","2118.7","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O4 Zn -","- C24 H18 N2 O4 Zn -","- C96 H72 N8 O16 Zn4 -","4","1","HK2130","Cao, Fengqi; Shen, Yueling; Kan, Zigui","Bis(benzoato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section E","2006","62","11","m2955","m2956","10.1107/S1600536806041092","","","0.71073","MoKα","","0.1543","0.0994","","","0.1777","0.2105","","","","","","1.173","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211052","8.385","0.002","9.403","0.002","9.871","0.002","81.6","0.02","85.35","0.02","66.75","0.02","707.2","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","3-[(1-Benzylamino)ethylidene]-2H-chromene-2,4(3H)-dione","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C36 H30 N2 O6 -","2","1","HK2133","Małecka, Magdalena; Budzisz, Elżbieta","3-[(1-Benzylamino)ethylidene]-2<i>H</i>-chromene-2,4(3<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","11","o5058","o5060","10.1107/S1600536806041511","","","0.71073","MoKα","","0.0563","0.0392","","","0.1037","0.1101","","","","","","0.993","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211053","7.3115","0.0004","12.5123","0.0006","13.0501","0.0007","112.67","0.001","102.781","0.001","98.162","0.001","1039.52","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Piperazinediium bis(pyridine-2,6-dicarboxylato)lead(II) dihydrate","","- C18 H22 N4 O10 Pb -","- C18 H22 N4 O10 Pb -","- C36 H44 N8 O20 Pb2 -","2","1","HK2136","Aghabozorg, Hossein; Ghasemikhah, Pouya; Ghadermazi, Mohammad; Sheshmani, Shabnam","Piperazinediium bis(pyridine-2,6-dicarboxylato)plumbate(II) dihydrate","Acta Crystallographica Section E","2006","62","11","m2835","m2837","10.1107/S1600536806040074","","","0.71073","MoKα","","0.0183","0.0167","","","0.0394","0.04","","","","","","1.037","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2211054","5.569","0.0011","9.512","0.0019","13.372","0.003","90","","95.05","0.03","90","","705.6","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-[4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene]-1-imidazolyl-acetonitrile","","- C14 H10 Cl N3 S2 -","- C14 H10 Cl N3 S2 -","- C28 H20 Cl2 N6 S4 -","2","1","HK2138","Xiao, Tao; Lin, Yuan; Zhang, Xiao-Qing; Chen, Jing; Wang, Jin-Tang","(<i>E</i>)-2-[4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene]-2-(imidazol-1-yl)acetonitrile","Acta Crystallographica Section E","2006","62","11","o5052","o5053","10.1107/S1600536806040736","","","0.71073","MoKα","","0.068","0.0593","","","0.1508","0.16","","","","","","1.068","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211055","10.008","0.002","15.213","0.003","14.231","0.003","90","","105.88","0.03","90","","2084","0.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl) phenoxy]-N-methyl-N-phenyl-acetamide","","- C23 H20 Cl F N2 O4 -","- C23 H20 Cl F N2 O4 -","- C92 H80 Cl4 F4 N8 O16 -","4","1","HK2141","Yong Ling; Hao Xu; Cheng Yao","2-[2-Chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2<i>H</i>-isoindol-2-yl)phenoxy]-<i>N</i>-methyl-<i>N</i>-phenylacetamide","Acta Crystallographica Section E","2006","62","11","o4847","o4849","10.1107/S1600536806040116","","","0.71073","MoKα","","0.0956","0.0557","","","0.1336","0.1503","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211056","10.858","0.002","13.017","0.003","14.325","0.003","90","","97.333","0.003","90","","2008.1","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4,10-dibromo-2,8-diethyl ester Tröger's base","4,10-Dibromo-2,8-di(ethoxycarbonyl)-6H,12H-5,11-methanodibenzo[b,f][1,5] diazocine","","- C21 H20 Br2 N2 O4 -","- C21 H20 Br2 N2 O4 -","- C84 H80 Br8 N8 O16 -","4","0.5","HK2142","Bhuiyan, M. Delower H.; Try, Andrew C.; Klepetko, John; Turner, Peter","Diethyl 4,10-dibromo-5,11-methano-6<i>H</i>,12<i>H</i>-dibenzo[<i>b</i>,<i>f</i>][1,5]diazocine-2,8-dicarboxylate","Acta Crystallographica Section E","2006","62","11","o4887","o4888","10.1107/S1600536806040505","","","0.71073","MoKα","","0.0294","0.0253","","","0.0694","0.071","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211057","12.41","0.03","6.3","0.016","13.26","0.04","90","","112.59","0.04","90","","957","4","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 1-(2-cyanoethyl)-2-oxocyclopentanecarboxylate","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C40 H52 N4 O12 -","4","1","HK2143","Guang-Le, Zhao; Jiang-Sheng, Li; Lei, Wang","Methyl 1-(2-cyanoethyl)-2-oxocyclopentanecarboxylate","Acta Crystallographica Section E","2006","62","11","o5095","o5096","10.1107/S1600536806040700","","","0.71073","MoKα","","0.1442","0.0577","","","0.1205","0.1476","","","","","","1.023","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2211058","9.99","0.002","10.454","0.002","9.882","0.002","90","","107.46","0.03","90","","984.5","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(4-hydroxyphenyl)pentan-1-one","","- C11 H14 O2 -","- C11 H14 O2 -","- C44 H56 O8 -","4","1","HK2144","Luo, Zhong-Hua; Zhu, Hong-Jun; Liu, Shan","1-(4-Hydroxyphenyl)pentan-1-one","Acta Crystallographica Section E","2006","62","11","o5054","o5055","10.1107/S1600536806040694","","","0.71073","MoKα","","0.0926","0.051","","","0.1183","0.1393","","","","","","1.006","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211059","10.1476","0.0015","46.823","0.007","6.3293","0.0009","90","","90","","90","","3007.3","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Cholesteryl phenylacetate","Cholesteryl phenylacetate","","- C35 H52 O2 -","- C35 H52 O2 -","- C140 H208 O8 -","4","1","HK2145","Park, Young Ja","Cholesteryl phenylacetate","Acta Crystallographica Section E","2006","62","11","o4983","o4985","10.1107/S160053680604150X","","","0.71073","MoKα","","0.0634","0.0557","","","0.1228","0.1267","","","","","","1.094","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2211061","7.3211","0.0003","8.3536","0.0004","8.5798","0.0004","88.847","0.002","75.741","0.0019","70.0857","0.0019","476.97","0.04","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C20 H24 O8 -","2","1","HK2147","Saeed, Aamer; Gotoh, Kazuma; Ishida, Hiroyuki","2,4-Dimethoxy-6-methylbenzoic acid","Acta Crystallographica Section E","2006","62","11","o4994","o4996","10.1107/S1600536806041377","","","0.71075","MoKα","","0.0443","0.0372","","","0.1056","0.1112","","","","","","1.078","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211062","6.4283","0.0009","8.3936","0.0012","9.8926","0.0013","112.393","0.005","105.71","0.005","95.883","0.005","462.23","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Bis(ethylenediammonium) benzene-1,2,4,5-tetracarboxylate dihydrate","","- C14 H26 N4 O10 -","- C14 H26 N4 O10 -","- C14 H26 N4 O10 -","1","0.5","HK2148","Rafizadeh, Masoud; Aghayan, Hassan; Amani, Vahid","Bis(ethylenediammonium) benzene-1,2,4,5-tetracarboxylate dihydrate","Acta Crystallographica Section E","2006","62","11","o5034","o5035","10.1107/S1600536806041481","","","0.71073","MoKα","","0.0544","0.0447","","","0.0973","0.1022","","","","","","1.048","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211063","19.678","0.009","9.872","0.005","10.073","0.005","90","","102.097","0.007","90","","1913.3","1.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cd3 H18 N2 O21 S4 -","- Cd3 H18 N2 O21 S4 -","- Cd12 H72 N8 O84 S16 -","4","1","HK2149","Swain, Diptikanta; Guru Row, T. N.","(NH~4~)~2~Cd~3~(SO~4~)~4~·5H~2~O","Acta Crystallographica Section E","2006","62","11","i226","i227","10.1107/S1600536806041390","","","0.71073","MoKα","","0.0429","0.0382","","","0.099","0.1016","","","","","","1.108","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211064","20.821","0.005","12.18","0.003","18.693","0.005","90","","119.23","0.003","90","","4136.9","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","10-(4-Bromophenyl)-5,7,7-trimethyl-7,8-dihydro-5H- indeno[1,2-b]quinoline-9,11(6H,10H)-dione","","- C25 H22 Br N O2 -","- C25 H22 Br N O2 -","- C200 H176 Br8 N8 O16 -","8","1","HK2151","Zi-Qiang Tang; Bo Jiang; Shu-Jiang Tu","10-(4-Bromophenyl)-5,7,7-trimethyl-7,8-dihydro-5<i>H</i>-indeno[1,2-<i>b</i>]quinoline-9,11(6<i>H</i>,10<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","11","o5119","o5120","10.1107/S1600536806042516","","","0.71073","MoKα","","0.0854","0.0409","","","0.0825","0.0986","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211065","5.3016","0.0004","26.143","0.0019","8.7195","0.0006","90","","105.107","0.001","90","","1166.75","0.15","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-Bis(2'-hydroxyethylsulfanyl)-1,3-dithiole-2-thione","","- C7 H10 O2 S5 -","- C7 H10 O2 S5 -","- C28 H40 O8 S20 -","4","1","HK2152","Pu-Zhou Hu; Jian-Hua Qin; Jun-Qing Chen; Lu Wang; Bang-Tun Zhao","4,5-Bis(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione","Acta Crystallographica Section E","2006","62","11","o5188","o5190","10.1107/S160053680604253X","","","0.71073","MoKα","","0.0321","0.0288","","","0.0754","0.0777","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211066","17.395","0.011","7.254","0.004","18.21","0.011","90","","114.203","0.006","90","","2096","2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicarboxylato]","","- C22 H16 Cd N4 O4 -","- C22 H16 Cd N4 O4 -","- C88 H64 Cd4 N16 O16 -","4","1","HY2015","Yun-Cheng Cui; Xiu-Mei Li; Jia-Jun Wang; Bo Liu","<i>catena</i>-Poly[[bis(benzimidazole-κ<i>N</i>)cadmium(II)]-μ-benzene-1,4-dicarboxylato]","Acta Crystallographica Section E","2006","62","11","m3071","m3072","10.1107/S1600536806043492","","","0.71073","MoKα","","0.033","0.0242","","","0.0574","0.0617","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211067","9.5936","0.0005","10.5893","0.0006","10.8918","0.0006","79.1507","0.0007","85.8548","0.0008","71.4513","0.0007","1030.17","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis[1-(aminomethyl)-7-aza-1,3,5-azoniatricyclo[3.3.1.1^3,7^]decane] [pentacosaoxooctamolybdato-μ-oxo] hexahydrate]","","- C14 H48 Mo8 N10 O33 -","- C14 H48 Mo8 N10 O33 -","- C14 H48 Mo8 N10 O33 -","1","0.5","HY2023","Bo Liu; Shi Zhou; Chuan-Bi Li; Ting-ting Liu","<i>catena</i>-Poly[bis[1-(aminomethyl)-7-aza-1,3,5-azoniatricyclo[3.3.1.1^3,7^]decane] [pentacosaoxooctamolybdato-μ-oxo] hexahydrate]","Acta Crystallographica Section E","2006","62","11","m3117","m3118","10.1107/S1600536806044084","","","0.71073","MoKα","","0.0336","0.0276","","","0.0672","0.0706","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211068","8.58","0.005","15.037","0.005","7.798","0.005","90","","113.038","0.005","90","","925.8","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(quinoline-8-sulfonato-κ^2^N,O)zinc(II)","","- C18 H16 N2 O8 S2 Zn -","- C18 H16 N2 O8 S2 Zn -","- C36 H32 N4 O16 S4 Zn2 -","2","0.5","HY2024","Ya-Ru Pan; Li-Bin Wang; Pei-Ying Zhan; Yan-Ling Niu; Gao-Quan Zhang","Diaquabis(quinoline-8-sulfonato-κ^2^<i>N</i>,<i>O</i>)zinc(II)","Acta Crystallographica Section E","2006","62","11","m2970","m2971","10.1107/S1600536806042279","","","0.71073","MoKα","","0.0952","0.0536","","","0.1139","0.135","","","","","","0.958","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211069","7.3696","0.0002","18.6464","0.0006","20.8708","0.0007","90","","90","","90","","2867.99","0.15","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","21-α-acetoxy-3-oxo-olean-12-en-28-oic acid","","- C32 H48 O5 -","- C32 H48 O5 -","- C128 H192 O20 -","4","1","IS2067","Diniz, Renata; Vidigal, Maria C. S.; Raslan, Délio S.; Fernandes, Nelson G.","A new triterpene of <i>Miconia macrothyrsa</i> leaves: 28-carboxy-3-oxoolean-12-en-21α-yl acetate","Acta Crystallographica Section E","2006","62","11","o4891","o4893","10.1107/S1600536806040281","","","0.71073","MoKα","","0.0728","0.055","","0.1468","","0.1273","","","1.06","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211070","4.8349","0.0015","12.89","0.004","22.123","0.007","90","","90","","90","","1378.7","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2-Acetoxythiophene)(2-hydroxy-3-methoxybenzylidene)hydrazide monohydrate","","- C13 H14 N2 O4 S -","- C13 H14 N2 O4 S -","- C52 H56 N8 O16 S4 -","4","1","IS2069","Jing, Zuo-Liang; Zhang, Qiao-Zhen; Yu, Ming; Chen, Xin","<i>N</i>-(2-Hydroxy-3-methoxybenzylidene)-<i>N</i>'-(2-thienylcarbonyl)hydrazine monohydrate","Acta Crystallographica Section E","2006","62","11","o4894","o4895","10.1107/S1600536806040293","","","0.71073","MoKα","","0.0484","0.0396","","","0.097","0.1023","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211071","5.1234","0.0004","10.5317","0.0009","26.674","0.002","90","","90","","90","","1439.3","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-(3-Hydroxypropyl)-4-(3-phenylallylideneamino)-2,4- dihydro-1,2,4-triazole-3-thione","","- C14 H16 N4 O S -","- C14 H16 N4 O S -","- C56 H64 N16 O4 S4 -","4","1","IS2073","Kai-Huang Zou; Li-Xue Zhang; Jian-Yu Jin; Hong-Ping Xiao; Jing Zhang","5-(3-Hydroxypropyl)-4-(3-phenylallylideneamino)-2,4-dihydro-1,2,4-triazole-3-thione","Acta Crystallographica Section E","2006","62","11","o4999","o5000","10.1107/S1600536806041602","","","0.71073","MoKα","","0.055","0.0515","","","0.1147","0.1165","","","","","","1.209","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211072","9.0852","0.0008","9.6504","0.0009","10.3936","0.0009","99.56","0.001","99.42","0.002","92.042","0.002","884.64","0.14","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C42 H40 N4 O6 -","2","1","IS2080","Yang-Gen Hu; Jun Zhu; Ai-Hua Zheng","3-<i>n</i>-Butyl-2-(4-methylphenoxy)-3<i>H</i>-benzo[4,5]furo[3,2-<i>d</i>]pyrimidin-4-one","Acta Crystallographica Section E","2006","62","11","o4904","o4905","10.1107/S1600536806041304","","","0.71073","MoKα","","0.0617","0.0527","","","0.1432","0.1575","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211073","9.447","0.002","10.286","0.002","13.357","0.003","68.912","0.004","76.697","0.004","85.64","0.004","1178.5","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-{2-[2-(2,4-Dinitrophenoxy)ethoxy]-3-methoxybenzylidene} -2-(2,4-dinitrophenyl)hydrazone","","- C22 H18 N6 O11 -","- C22 H18 N6 O11 -","- C44 H36 N12 O22 -","2","1","IS2081","Diao, Chun-Hua; Chen, Xin","(<i>E</i>)-2-[2-(2,4-Dinitrophenoxy)ethoxy]-3-methoxybenzaldehyde 2,4-dinitrophenylhydrazone","Acta Crystallographica Section E","2006","62","11","o4896","o4898","10.1107/S1600536806040463","","","0.71073","MoKα","","0.0913","0.0444","","","0.1014","0.1255","","","","","","1.011","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211074","6.7336","0.0013","9.467","0.0019","13.757","0.003","90","","97.67","0.03","90","","869.1","0.3","297","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,4'-(Hexafluoroisopropylidene)bis(phthalic anhydride)","","- C19 H6 F6 O6 -","- C19 H6 F6 O6 -","- C38 H12 F12 O12 -","2","1","IS2082","Rui-Qin Zhong; Ru-Qiang Zou; Qiang Xu","4,4'-(Hexafluoroisopropylidene)bis(phthalic anhydride)","Acta Crystallographica Section E","2006","62","11","o5148","o5149","10.1107/S1600536806042401","","","0.71073","MoKα","","0.0516","0.0298","","","0.0597","0.0731","","","","","","1.098","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211075","8.7102","0.001","13.1725","0.0013","15.497","0.002","90","","98.532","0.005","90","","1758.4","0.4","110","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","14,17-Dithia-22,23,24-triazatetracyclo[16.3.1.13,7.19,13]tetracosa- 1(22),3,5,7(24),9,11,13(23),18,20-nonaene-2,8-dione","","- C19 H13 N3 O2 S2 -","- C19 H13 N3 O2 S2 -","- C76 H52 N12 O8 S8 -","4","1","IS2084","Poole, Martin C.; Fronczek, Frank R.; Newkome, George R.; Watkins, Steven F.","A tripyridylthioether macrocycle: (14,17-dithia-22,23,24-triazatetracyclo[16.3.1.1^3,7^.1^9,13^]tetracosa-1(22),3,5,7(24),9,11,13(23),18,20-nonaene-2,8-dione","Acta Crystallographica Section E","2006","62","11","o4952","o4954","10.1107/S1600536806041262","","","0.71073","MoKα","","","0.043","","","","0.108","","","","","","1.025","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211076","18.2261","0.0014","11.6455","0.0009","18.1673","0.0014","90","","93.737","0.001","90","","3847.8","0.5","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Isopropyl-5-(3-nitrophenoxy)-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin- 7(6H)-one","","- C19 H16 N6 O4 -","- C19 H16 N6 O4 -","- C152 H128 N48 O32 -","8","1","IS2085","Wang, Hong-Mei; Zeng, Xiao-Hua; Hu, Zong-Qiu; Li, Gui-Hua; Tian, Jia-Hua","6-Isopropyl-5-(3-nitrophenoxy)-3-phenyl-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o5038","o5040","10.1107/S1600536806042280","","","0.71073","MoKα","","0.0631","0.0482","","","0.1348","0.1423","","","","","","1.083","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211077","12.208","0.004","9.163","0.003","21.434","0.006","90","","93.647","0.005","90","","2392.8","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,5-dinitrobenzoato)triphenyltin(IV)","","- C25 H18 N2 O6 Sn -","- C25 H18 N2 O6 Sn -","- C100 H72 N8 O24 Sn4 -","4","1","IS2087","Win, Yip Foo; Guan, Teoh Siang; Ismail, Nur Liyana; Yamin, Bohari M.","(3,5-Dinitrobenzoato)triphenyltin(IV)","Acta Crystallographica Section E","2006","62","11","m3146","m3148","10.1107/S1600536806044539","","","0.71073","MoKα","","0.03","0.024","","","0.06","0.063","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211078","7.6079","0.0016","13.05","0.003","21.318","0.004","90","","90.628","0.004","90","","2116.4","0.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2-Methoxy-N'-{2-[2-(2-nitrophenoxy)ethoxy]benzylidene}benzohydrazide","","- C23 H21 N3 O6 -","- C23 H21 N3 O6 -","- C92 H84 N12 O24 -","4","1","IS2091","Diao, Chun-Hua; Yu, Ming","(<i>E</i>)-2-Methoxy-<i>N</i>'-{2-[2-(2-nitrophenoxy)ethoxy]benzylidene}benzohydrazide","Acta Crystallographica Section E","2006","62","11","o5278","o5279","10.1107/S1600536806044072","","","0.71073","MoKα","","0.1323","0.0593","","","0.1438","0.1737","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211079","8.43","0.003","13.352","0.004","11.853","0.004","90","","92.838","0.006","90","","1332.5","0.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-fluoro-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide","","- C15 H10 F N3 O S -","- C15 H10 F N3 O S -","- C60 H40 F4 N12 O4 S4 -","4","1","IS2092","Lu, Yan-Chang; Dai, Hong; Zheng, Tong; Zhang, Bing-Nan; Fang, Jian-Xin","4-Fluoro-<i>N</i>-[4-(pyridin-4-yl)thiazol-2-yl]benzamide","Acta Crystallographica Section E","2006","62","11","o5330","o5331","10.1107/S1600536806043704","","","0.71073","MoKα","","0.0761","0.0405","","","0.0884","0.1024","","","","","","1.008","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211080","8.044","0.004","11.803","0.006","12.735","0.006","106.822","0.008","94.158","0.009","94.753","0.008","1147.5","1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-(5-Bromo-3-methoxy-2-propoxybenzylidene)-2-(2,4-dinitrophenyl)hydrazine N,N'-dimethylformamide solvate","","- C20 H24 Br N5 O7 -","- C20 H24 Br N5 O7 -","- C40 H48 Br2 N10 O14 -","2","1","IS2095","Shi, Jun","(<i>E</i>)-1-(5-Bromo-3-methoxy-2-propoxybenzylidene)-2-(2,4-dinitrophenyl)hydrazine <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2006","62","11","o5337","o5339","10.1107/S1600536806044692","","","0.71073","MoKα","","0.0738","0.0415","","","0.0921","0.1059","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211081","26.8936","0.0004","6.6772","0.0001","8.0289","0.0001","90","","91.198","0.001","90","","1441.47","0.04","100","0.1","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,7-bis(methoxycarbonylmethoxy)naphtalene","Dimethyl 2,2'-(naphthalene-2,7-diyldioxy)diacetate","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","IS2096","Hoong-Kun Fun; Shyamaprosad Goswami; Swapan Dey; Suchada Chantrapromma","Dimethyl 2,2'-(naphthalene-2,7-diyldioxy)diacetate","Acta Crystallographica Section E","2006","62","11","o5307","o5309","10.1107/S1600536806044345","","","0.71073","MoKα","","0.0759","0.0462","","","0.1222","0.1511","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211082","8.0073","0.0019","12.44","0.003","19.855","0.005","90","","101.206","0.004","90","","1940.1","0.8","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-[4-(4-Methylbenzenesulfonyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine","(E)-4-[(4-Nitrophenyl)hydrazonomethyl]phenyl p-toluenesulfonate","","- C20 H17 N3 O5 S -","- C20 H17 N3 O5 S -","- C80 H68 N12 O20 S4 -","4","1","IS2097","Chen, Xin; Yu, Ming","(<i>E</i>)-4-[(4-Nitrophenyl)hydrazonomethyl]phenyl <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2006","62","11","o5321","o5322","10.1107/S1600536806044564","","","0.71073","MoKα","","0.0767","0.0425","","","0.0991","0.119","","","","","","1.007","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211083","11.638","0.002","14.012","0.003","13.13","0.003","90","","105.795","0.011","90","","2060.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(methyl 2-pyridylmethylidenedrazinecarbodithioato)nickel(II)","","- C16 H16 N6 Ni S4 -","- C16 H16 N6 Ni S4 -","- C64 H64 N24 Ni4 S16 -","4","1","KJ2025","Guo-Bi Li; Mao-Sheng Liu; Qiong-Yan Yu; He-Ping Zeng; Yue-Peng Cai","Bis(methyl 2-pyridylmethylidenedrazinecarbodithioato)nickel(II)","Acta Crystallographica Section E","2006","62","11","m3115","m3116","10.1107/S1600536806043911","","","0.71073","MoKα","","0.0519","0.0294","","","0.0592","0.0794","","","","","","1.092","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211084","7.2353","0.0007","8.7889","0.0009","11.8112","0.0011","81.125","0.001","87.533","0.001","87.088","0.001","740.66","0.13","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Diaqua[N-(3-carboxy-2-hydroxybenzylidene)alaninato-κ^3^O^2^,N,O']copper(II) dihydrate","","- C11 H17 Cu N O9 -","- C11 H17 Cu N O9 -","- C22 H34 Cu2 N2 O18 -","2","1","KJ2027","Zhao-Wen Yu; Yun-Ling Hao; Wu Zhang; Qing-Xia Cui","Diaqua[<i>N</i>-(3-carboxy-2-hydroxybenzylidene)alaninato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>']copper(II) dihydrate","Acta Crystallographica Section E","2006","62","11","m2786","m2788","10.1107/S1600536806038931","","","0.71073","MoKα","","0.046","0.0373","","","0.0895","0.0945","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211085","4.8627","0.0012","9.312","0.002","16.785","0.004","90","","92.618","0.004","90","","759.3","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(2-(1,3-dioxoisoindolin-2-yl)ethyl)isoindoline-1,3-dione","2,2'-(Ethane-1,2-diyl)bis(isoindoline-1,3-dione)","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C36 H24 N4 O8 -","2","0.5","KJ2031","Liang, Zu-Pei; Li, Jian","2,2'-(Ethane-1,2-diyl)bis(isoindoline-1,3-dione)","Acta Crystallographica Section E","2006","62","11","o5282","o5283","10.1107/S1600536806043923","","","0.71073","MoKα","","0.077","0.0433","","","0.1009","0.1182","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211086","10.46","0.002","6.72","0.0013","16.086","0.003","90","","91.3","0.03","90","","1130.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Dehydroabietic acid N-methyl-anilide","","- C27 H35 N O -","- C27 H35 N O -","- C54 H70 N2 O2 -","2","1","KJ2035","Xiao-Ping Rao; Zhan-Qian Song; Benyumin Radbil; Arkadyi Radbil","Dehydroabietic acid <i>N</i>-methylanilide","Acta Crystallographica Section E","2006","62","11","o5301","o5302","10.1107/S1600536806043935","","","0.71073","MoKα","","0.0951","0.0637","","","0.1568","0.1792","","","","","","1.001","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211087","9.5741","0.0015","11.9446","0.0015","9.8172","0.0014","90","","96.075","0.012","90","","1116.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-bromo-bis[(tetrahydrofuran)lithium(I)]","","- C16 H32 Br2 Li2 O4 -","- C16 H32 Br2 Li2 O4 -","- C32 H64 Br4 Li4 O8 -","2","0.5","KJ2036","Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael","Di-μ-bromo-bis[(tetrahydrofuran)lithium(I)]","Acta Crystallographica Section E","2006","62","11","m2853","m2854","10.1107/S1600536806039626","","","0.71073","MoKα","","0.0935","0.067","","","0.1667","0.184","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211088","17.0756","0.0006","7.4819","0.0003","17.9978","0.0006","90","","105.211","0.002","90","","2218.81","0.14","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","hydrochlorothiazide N-methyl-2-pyrrolidone disolvate","6-chloro-3,4-dihydro-2<i>H</i>-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide <i>N</i>-methyl-2-pyrrolidone disolvate","","- C17 H26 Cl N5 O6 S2 -","- C17 H26 Cl N5 O6 S2 -","- C68 H104 Cl4 N20 O24 S8 -","4","1","KJ2037","Johnston, Andrea; Florence, Alastair J.; Kennedy, Alan R.","Hydrochlorothiazide <i>N</i>-methyl-2-pyrrolidone disolvate","Acta Crystallographica Section E","2006","62","11","o5169","o5171","10.1107/S1600536806042838","","","0.71073","MoKα","","0.0871","0.0643","","","0.1563","0.1738","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211089","7.704","0.004","11.454","0.006","11.686","0.006","109.882","0.004","98.696","0.004","104.705","0.004","905.4","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Tetra-μ-acetamidato-κ^4^N:O;κ^4^O:N-diaquadiruthenium(II,III)(Ru—Ru) perchlorate","","- C8 H20 Cl N4 O10 Ru2 -","- C8 H20 Cl N4 O10 Ru2 -","- C16 H40 Cl2 N8 O20 Ru4 -","2","1","KP2034","Fuma, Yasuhiro; Ebihara, Masahiro","Tetra-μ-acetamidato-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[aquaruthenium(II,III)]<i>(Ru{—</i>Ru)} perchlorate","Acta Crystallographica Section E","2006","62","11","m2802","m2804","10.1107/S1600536806039298","","","0.71069","MoKα","","0.0539","0.031","","","0.0627","0.0694","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211090","8.1616","0.0011","8.5982","0.0009","11.9115","0.0015","92.993","0.005","99.416","0.008","92.317","0.006","822.49","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Tetra-μ-acetamidato-κ^4^N:O;κ^4^O:N-bis[aquaruthenium(II,III)](Ru—Ru) nitrate","","- C8 H20 N5 O9 Ru2 -","- C8 H20 N5 O9 Ru2 -","- C16 H40 N10 O18 Ru4 -","2","1","KP2035","Fuma, Yasuhiro; Ebihara, Masahiro","Tetra-μ-acetamidato-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[aquaruthenium(II,III)]<i>(Ru{—</i>Ru)} nitrate","Acta Crystallographica Section E","2006","62","11","m2805","m2807","10.1107/S1600536806039547","","","0.71069","MoKα","","0.0367","0.0283","","","0.06","0.0631","","","","","","1.094","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211091","9.562","0.002","13.554","0.003","13.848","0.003","77.739","0.006","84.236","0.008","75.068","0.007","1692.6","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Tetra-μ-acetamidato-κ^4^N,O;κ^4^O,N-bis[aquaruthenium(II,III)](Ru—Ru) tetraphenylborate monohydrate","","- C32 H42 B N4 O7 Ru2 -","- C32 H42 B N4 O7 Ru2 -","- C64 H84 B2 N8 O14 Ru4 -","2","1","KP2036","Fuma, Yasuhiro; Ebihara, Masahiro","Tetra-μ-acetamidato-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[aquaruthenium(II,III)]<i>(Ru{—</i>Ru)} tetraphenylborate monohydrate","Acta Crystallographica Section E","2006","62","11","m2808","m2810","10.1107/S1600536806039560","","","0.71069","MoKα","","0.0347","0.0274","","","0.0566","0.059","","","","","","1.069","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2211092","9.7519","0.0013","12.3306","0.0012","11.5569","0.0018","90","","95.02","0.017","90","","1384.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(4-carboxycyclohexyl)methylammoniomethyl]phenolate","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","KP2049","Shaukat Shuja; Saqib Ali; Nasir Khalid; Gaël Labat; Helen Stoeckli-Evans","2-[(4-Carboxycyclohexyl)methylammoniomethyl]phenolate","Acta Crystallographica Section E","2006","62","11","o4783","o4785","10.1107/S1600536806039316","","","0.71073","MoKα","","0.0536","0.0404","","","0.1207","0.1529","","","","","","1.122","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211093","9.6396","0.0007","17.7451","0.001","15.8961","0.0011","90","","93.122","0.006","90","","2715.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(4-Carboxycyclohexyl)methylammoniomethyl]-6-hydroxyphenolate","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C120 H152 N8 O32 -","8","2","KP2050","Shaukat Shuja; Saqib Ali; Nasir Khalid; Gaël Labat; Helen Stoeckli-Evans","2-[(4-Carboxycyclohexyl)methylammoniomethyl]-6-hydroxyphenolate","Acta Crystallographica Section E","2006","62","11","o4786","o4788","10.1107/S1600536806039444","","","0.71073","MoKα","","0.0863","0.0495","","","0.1063","0.1183","","","","","","0.936","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211094","15.477","0.007","8.824","0.004","14.006","0.006","90","","110.716","0.008","90","","1789.1","1.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-bromonaphthalene-1-carboxylate","","- C22 H14 Br2 O2 -","- C22 H14 Br2 O2 -","- C88 H56 Br8 O8 -","4","1","KP2052","Novak, Igor; Wei, Li; Harrison, Leslie J","(8-Bromonaphthalen-1-yl)methyl 8-bromo-1-naphthoate","Acta Crystallographica Section E","2006","62","11","o4977","o4978","10.1107/S1600536806041948","","","0.71073","MoKα","","0.1505","0.0707","","","0.2002","0.2363","","","","","","1.001","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211095","6.0312","0.0012","8.7087","0.0015","11.837","0.002","87.234","0.015","81.945","0.015","71.189","0.014","582.71","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Bromophenyliminomethyl)benzene-1,2-diol","","- C13 H10 Br N O2 -","- C13 H10 Br N O2 -","- C26 H20 Br2 N2 O4 -","2","1","KP2053","Shaukat Shuja; Saqib Ali; Saira Shahzadi; Gaël Labat; Helen Stoeckli-Evans","3-(4-Bromophenyliminomethyl)benzene-1,2-diol","Acta Crystallographica Section E","2006","62","11","o4789","o4790","10.1107/S1600536806039183","","","0.71073","MoKα","","0.0395","0.0324","","","0.0724","0.0756","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211096","6.332","0.002","10.729","0.002","13.787","0.002","90","","100.04","0.03","90","","922.3","0.4","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","17-Oxo-13α-androst-5-en-3β-yl acetate","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","LH2163","Bunkóczi, G.; Cuesta Seijo, J. A.; Szájli, Á.; Schneider, G.; Wölfling, J.","17-Oxo-13α-androst-5-en-3β-yl acetate","Acta Crystallographica Section E","2006","62","11","o5078","o5079","10.1107/S160053680604222X","","","0.71073","MoKα","","0.0431","0.0393","","","0.0985","0.1011","","","","","","0.908","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211097","14.5","0.003","6.9301","0.0014","17.267","0.004","90","","93.352","0.004","90","","1732.1","0.6","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","Cimigenol-3-O-b-D-xylopranoside","(23R, 24S)-16b,23:16a,24-diepoxy-15a,25-dihydroxy-9, 19-cyclolanostane-3-O-b-D-xylopyranoside","","- C36 H60 O10 -","- C36 H60 O10 -","- C72 H120 O20 -","2","1","LH2176","Yunshuang Fan; Wei Jia; Yoshihisa Takaishi; Hong-Quan Duan","Cimigenol-3-<i>O</i>-β-<small>D</small>-xylopranoside methanol solvate","Acta Crystallographica Section E","2006","62","11","o4884","o4886","10.1107/S1600536806040153","","","0.71073","MoKα","","0.1178","0.0573","","","0.1447","0.1827","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2211098","33.371","0.002","6.9767","0.0005","5.8228","0.0003","90","","90.376","0.004","90","","1355.63","0.14","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2E)-1-(4-Chlorophenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","","- C16 H13 Cl O S -","- C16 H13 Cl O S -","- C64 H52 Cl4 O4 S4 -","4","1","LH2180","Harrison, William T. A.; Yathirajan, H. S.; Narayana, B.; Mithun, A.; Sarojini, B. K.","(2<i>E</i>)-1-(4-Chlorophenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o5290","o5292","10.1107/S1600536806037330","","","0.71073","MoKα","","0.0495","0.0405","","","0.0833","0.087","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211099","5.4729","0.0006","11.7401","0.0014","20.922","0.003","90","","95.368","0.001","90","","1338.4","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraaqua-bis[1-(carboxymethyl)-1,3-benzimidazol-3-ium-3-acetato-κ<i>O</i>]\ manganese(II) dihydrate","","- C22 H30 Mn N4 O14 -","- C22 H30 Mn N4 O14 -","- C44 H60 Mn2 N8 O28 -","2","0.5","LH2192","Ling Huang; Ding-Ben Chen","Tetraaquabis[1-(carboxylatomethyl)-1,3-benzimidazol-3-ium-3-acetato-κ<i>O</i>]manganese(II) dihydrate","Acta Crystallographica Section E","2006","62","11","m2872","m2874","10.1107/S1600536806040645","","","0.71073","MoKα","","0.0294","0.0265","","","0.0714","0.0735","","","","","","1.041","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211100","6.6073","0.0018","10.223","0.003","18.221","0.005","90","","98.459","0.004","90","","1217.4","0.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O3 S -","- C14 H11 N O3 S -","- C56 H44 N4 O12 S4 -","4","1","LH2193","Wen, Hui-Liang; Zuo, Jun-Hui; Ding, Liang; Lai, Bo-Wen; Liu, Chong-Bo","2-Benzyl-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide","Acta Crystallographica Section E","2006","62","11","o5061","o5062","10.1107/S160053680604116X","","","0.7107","MoKα","","0.0404","0.0319","","","0.0961","0.0995","","","","","","1.126","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211101","20.6945","0.0004","7.2626","0.0002","17.4318","0.0003","90","","116.996","0.001","90","","2334.46","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","LH2194","Senthil Kumar, G.; K. Chinnakali; C. Prakash; A. K. Mohanakrishnan; Hoong-Kun Fun","Ethyl 7-cyanomethyl-1<i>H</i>-indole-1-carboxylate","Acta Crystallographica Section E","2006","62","11","o5015","o5017","10.1107/S1600536806041006","","","0.71073","MoKα","","0.0618","0.0443","","","0.1165","0.1274","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211102","12.602","0.006","18.049","0.016","11.123","0.004","90","","95.07","0.04","90","","2520","3","298.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl4 Cu N2 O2 -","- C24 H28 Cl4 Cu N2 O2 -","- C96 H112 Cl16 Cu4 N8 O8 -","4","1","LH2195","Kubono, Koji; Oshima, Syunichi; Hirayama, Naoki; Yokoi, Kunihiko","Bis[2,4-dichloro-6-(piperidin-1-ylmethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]copper(II)","Acta Crystallographica Section E","2006","62","11","m2858","m2859","10.1107/S1600536806040207","","","0.71069","MoKα","","","0.0342","","","","0.098","","","","","","1.003","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211103","8.6625","0.0009","17.1238","0.0018","14.069","0.0015","90","","103.588","0.011","90","","2028.5","0.4","290","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dicarbonyl(η^5^-cyclopentadienyl)-1-phenyl-3,4-dimethylphospholeiron(II) tetrafluoroborate","","- C19 H18 B F4 Fe O2 P -","- C19 H18 B F4 Fe O2 P -","- C76 H72 B4 F16 Fe4 O8 P4 -","4","1","LH2196","Guido J. Reiß; Christian Ganter","Dicarbonyl(η^5^-cyclopentadienyl)(1-phenyl-3,4-dimethylphosphole)iron(II) tetrafluoroborate","Acta Crystallographica Section E","2006","62","11","m2940","m2941","10.1107/S1600536806041171","","","0.71073","MoKα","","0.1159","0.0618","","","0.1109","0.1258","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211104","7.701","0.0018","14.657","0.003","10.238","0.002","90","","109.014","0.004","90","","1092.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","1","LH2197","Yong-Tao Wang; Gui-Mei Tang; Wen-Zhu Wan","Pyridine-4-carbaldehyde isonicotinoylhydrazone","Acta Crystallographica Section E","2006","62","11","o4926","o4927","10.1107/S1600536806041195","","","0.71073","MoKα","","0.0749","0.0687","","","0.1964","0.2031","","","","","","1.088","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211105","10.4688","0.0003","22.3018","0.0007","11.0754","0.0004","90","","118.723","0.002","90","","2267.63","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Bis(4-methylphenyl)-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine- 3,6-dicarbaldehyde","","- C28 H23 N3 O2 -","- C28 H23 N3 O2 -","- C112 H92 N12 O8 -","4","1","LH2198","Low, John N.; Cobo, Justo; Trilleras, Jorge; Glidewell, Christopher","2,5-Bis(4-methylphenyl)-7-phenyl-6,7-dihydropyrazolo[1,5-<i>a</i>]pyrimidine-3,6-dicarbaldehyde: hydrogen-bonded sheets built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section E","2006","62","11","o4930","o4932","10.1107/S1600536806040177","","","0.71073","MoKα","","0.0916","0.0469","","","0.1105","0.1328","","","","","","0.931","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211106","22.1302","0.001","5.314","0.0002","12.4571","0.0005","90","","98.447","0.002","90","","1449.06","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-benzyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylidene]amine","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","LH2199","Santacruz, Lynay; Abonia, Rodrigo; Low, John Nicolson; Cobo, Justo","<i>N</i>-Benzyl-<i>N</i>-[(<i>E</i>)-(3,4,5-trimethoxyphenyl)methylidene]amine","Acta Crystallographica Section E","2006","62","11","o5027","o5028","10.1107/S1600536806040785","","","0.71073","MoKα","","0.0705","0.0542","","","0.1459","0.1541","","","","","","1.142","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211107","13.809","0.003","22.381","0.007","21.435","0.007","90","","124.53","0.02","90","","5458","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Oxo-bis{isopropoxo[2,2'-(methylenedithio)bis(6-tert-butyl-4- methylphenolato)]titanium(IV)}","","- C52 H74 O7 S4 Ti2 -","- C52 H74 O7 S4 Ti2 -","- C208 H296 O28 S16 Ti8 -","4","1","LH2200","Roberto Centore; Angela Tuzi; Carmine Capacchione; Leone Oliva","μ-Oxo-bis{isopropoxo[2,2'-(methylenedithio)bis(6-<i>tert</i>-butyl-4-methylphenolato)]titanium(IV)}","Acta Crystallographica Section E","2006","62","11","m2944","m2946","10.1107/S1600536806041419","","","0.71073","MoKα","","0.1229","0.0542","","","0.116","0.1391","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211108","8.1973","0.0007","12.3023","0.0011","16.0999","0.0013","90","","103.953","0.006","90","","1575.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2E)-1-(3-Bromo-2-thienyl)-3-(4-methoxy-2,3,6-trimethylphenyl)prop-2-en-1-one","","- C17 H17 Br O2 S -","- C17 H17 Br O2 S -","- C68 H68 Br4 O8 S4 -","4","1","LH2201","Yathirajan, H. S.; Narayana, B.; Ashalatha, B.; Sarojini, B. K.; Bolte, Michael","(2<i>E</i>)-1-(3-Bromo-2-thienyl)-3-(4-methoxy-2,3,6-trimethylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o5010","o5012","10.1107/S1600536806040657","","","0.71073","MoKα","","0.0666","0.0543","","","0.1329","0.1411","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211109","11.9585","0.0007","5.0552","0.0003","29.0105","0.0015","90","","90.863","0.005","90","","1753.56","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(2-Bromo-5-methoxyphenyl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)- 1H-1,2,4-triazole","","- C19 H15 Br N4 O S -","- C19 H15 Br N4 O S -","- C76 H60 Br4 N16 O4 S4 -","4","1","LH2202","Yathirajan, H. S.; Vijaya Raj, K. K.; Narayana, B.; Sarojini, B. K.; Bolte, Michael","3-(2-Bromo-5-methoxyphenyl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2006","62","11","o5013","o5014","10.1107/S1600536806040669","","","0.71073","MoKα","","0.0412","0.0335","","","0.0855","0.089","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211110","10.7138","0.0011","15.1368","0.0015","8.9112","0.0006","90","","101.208","0.006","90","","1417.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-8,8-dimethyl-2- (methanesulfanyl)-8,9-dihydropyrimidino[4,5-b]quinolin-6(7H)-one","","- C14 H16 N4 O S -","- C14 H16 N4 O S -","- C56 H64 N16 O4 S4 -","4","1","LH2204","Cruz, Silvia; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in 4-amino-8,8-dimethyl-2-(methylsulfanyl)-8,9-dihydropyrimidino[4,5-<i>b</i>]quinolin-6(7<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o4933","o4935","10.1107/S1600536806040633","","","0.71073","MoKα","","0.1026","0.0541","","","0.1213","0.1431","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211111","27.368","0.006","6.1907","0.0012","15.137","0.003","90","","101.14","0.03","90","","2516.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2-(5-Bromo-2-hydroxy-benzylamino)-ethanesulfonic acid monohydrate","2-(5-Bromo-2-hydroxybenzylammonio)ethanesulfonate monohydrate","","- C9 H14 Br N O5 S -","- C9 H14 Br N O5 S -","- C72 H112 Br8 N8 O40 S8 -","8","1","LH2205","Yu Xiao; Shi-Xiang Gao; Cheng Sun","2-(5-Bromo-2-hydroxybenzylammonio)ethanesulfonate monohydrate","Acta Crystallographica Section E","2006","62","11","o5217","o5219","10.1107/S1600536806043297","","","0.71073","MoKα","","0.0602","0.0366","","","0.0819","0.0974","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211112","15.561","0.005","10.827","0.003","13.813","0.004","90","","106.609","0.004","90","","2230.1","1.1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Di-tert-butyl[3-methyl-2-(2-oxidobenzylideneamino)butanoato- κ^3^N,O,O']tin(IV)","","","- C20 H31 N O3 Sn -","- C20 H31 N O3 Sn -","- C80 H124 N4 O12 Sn4 -","4","1","LH2206","Ding, Rui-Fang; Zhu, Jun; Yin, Han-Dong","Di-<i>tert</i>-butyl[3-methyl-2-(2-oxidobenzylideneamino)butanoato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>']tin(IV)","Acta Crystallographica Section E","2006","62","11","m3158","m3159","10.1107/S1600536806044333","","","0.71073","MoKα","","0.0577","0.0358","","","0.0884","0.1033","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211113","5.7596","0.0001","30.5263","0.0006","7.1404","0.0002","90","","100.725","0.001","90","","1233.49","0.05","100","0.1","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one","","- C15 H12 Cl N O -","- C15 H12 Cl N O -","- C60 H48 Cl4 N4 O4 -","4","1","LH2207","Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","1-(4-Aminophenyl)-3-(4-chlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o5150","o5151","10.1107/S1600536806042346","","","0.71073","MoKα","","0.0707","0.0544","","","0.1202","0.1311","","","","","","1.104","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211114","13.7415","0.0003","10.8492","0.0003","8.0238","0.0002","90","","106.439","0.002","90","","1147.32","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-methylphenyl)-2-(3-thienyl)acrylonitrile","","- C14 H11 N S -","- C14 H11 N S -","- C56 H44 N4 S4 -","4","1","LH2209","Cobo, Debora; Cobo, Justo; Low, John N.; Glidewell, Christopher","(<i>Z</i>)-3-(4-Methylphenyl)-2-(3-thienyl)acrylonitrile","Acta Crystallographica Section E","2006","62","11","o5179","o5180","10.1107/S1600536806042231","","","0.71073","MoKα","","0.0426","0.0352","","","0.0903","0.0961","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211115","18.8775","0.0006","7.3316","0.0002","21.3634","0.0007","90","","123.413","0.002","90","","2468.06","0.14","100","0.1","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4,6-Diphenyl-pyrimidin-2-yl-amine","4,6-Diphenylpyrimidin-2-ylamine","","- C16 H13 N3 -","- C16 H13 N3 -","- C128 H104 N24 -","8","2","LH2210","Hoong-Kun Fun; Shyamaprosad Goswami; Subrata Jana; Suchada Chantrapromma","A monoclinic polymorph of 4,6-diphenylpyrimidin-2-ylamine","Acta Crystallographica Section E","2006","62","11","o5332","o5334","10.1107/S160053680604390X","","","0.71073","MoKα","","0.1691","0.0882","","","0.2184","0.2936","","","","","","0.999","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211116","12.141","0.006","12.141","0.006","24.503","0.016","90","","90","","120","","3128","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","trimethylphosphine‒tris(pentafluorophenyl)borane","","- C21 H9 B F15 P -","- C21 H9 B F15 P -","- C126 H54 B6 F90 P6 -","6","0.333333","LH2211","Chase, Preston A.; Parvez, Masood; Piers, Warren E.","Trimethylphosphine‒tris(pentafluorophenyl)borane","Acta Crystallographica Section E","2006","62","11","o5181","o5183","10.1107/S1600536806043029","","","0.71073","MoKα","","0.068","0.039","","","0.084","0.095","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211117","3.9531","0.001","9.337","0.002","25.228","0.006","90","","93.909","0.004","90","","929","0.4","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Chlorophenyl)isoxazole-5-carbaldehyde","","- C10 H6 Cl N O2 -","- C10 H6 Cl N O2 -","- C40 H24 Cl4 N4 O8 -","4","1","LH2212","Da-Tong Zhang; Yi Ma; Nian-Qiu Shi","3-(4-Chlorophenyl)isoxazole-5-carbaldehyde","Acta Crystallographica Section E","2006","62","11","o5213","o5214","10.1107/S1600536806043315","","","0.71073","MoKα","","0.0623","0.0489","","","0.1116","0.1189","","","","","","1.097","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211118","8.2825","0.0018","7.1875","0.0016","14.008","0.003","90","","106.031","0.003","90","","801.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[diaquacadmium(II)]-di-μ-1-amino-2,2-dicyanoethene-1-thiolato- κ^2^S:N;κ^2^N:S] dihydrate]","","- C8 H12 Cd N6 O4 S2 -","- C8 H12 Cd N6 O4 S2 -","- C16 H24 Cd2 N12 O8 S4 -","2","0.5","LH2215","Zhang, Shi-Guo; Xu, Hong-Kun; Shi, Jing-Min; Liu, Lian-Dong","<i>catena</i>-Poly[[[diaquacadmium(II)]-di-μ-1-amino-2,2-dicyanoethene-1-thiolato-κ^2^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>] dihydrate]","Acta Crystallographica Section E","2006","62","11","m3140","m3141","10.1107/S1600536806044400","","","0.71073","MoKα","","0.019","0.0181","","","0.05","0.0504","","","","","","1.108","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211119","14.921","0.002","8.736","0.001","13.008","0.002","90","","91.348","0.002","90","","1695.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro{4-chloro-2-[2-(diethylammonio)ethyliminomethyl]phenolato}zinc(II)","","- C13 H19 Cl3 N2 O Zn -","- C13 H19 Cl3 N2 O Zn -","- C52 H76 Cl12 N8 O4 Zn4 -","4","1","LH2216","Qing Wang; Xiao-Yang Qiu","Dichloro{4-chloro-2-[2-(diethylammonio)ethyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2006","62","11","m3002","m3003","10.1107/S1600536806043327","","","0.71073","MoKα","","0.0588","0.0398","","","0.0893","0.0983","","","","","","1.032","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211120","11.2422","0.001","11.8831","0.001","11.9561","0.001","73.793","0.001","63.225","0.001","70.498","0.001","1328.4","0.2","292","2","292","2","","","","","","","","3","P -1","-P 1","2","","Ethyl 9-hydroxyfluorene-9-carboxylate","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","2","LH2217","Dai, Xu-Ya; Jin, Long-Fei; Song, Fa-Hui; Wu, Bai-Cheng","Ethyl 9-hydroxyfluorene-9-carboxylate: chains of centrosymmetric rings built from O—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section E","2006","62","11","o5340","o5342","10.1107/S1600536806044850","","","0.71073","MoKα","","0.0843","0.052","","","0.124","0.1392","","","","","","0.932","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211121","8.5195","0.0009","5.7511","0.0006","11.958","0.001","90","","105.32","0.01","90","","565.08","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(diphenylphosphinoyl)hydroxylamine","","- C12 H12 N O2 P -","- C12 H12 N O2 P -","- C24 H24 N2 O4 P2 -","2","1","LH2221","Blatch, Alexandrea J.; Howard, Judith A. K.; Probert, Michael R.; Whiting, Andrew","<i>N</i>-(Diphenylphosphinoyl)hydroxylamine","Acta Crystallographica Section E","2006","62","11","o5343","o5345","10.1107/S1600536806044862","","","0.71073","MoKα","","0.0447","0.0393","","","0.0935","0.0971","","","","","","0.985","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211122","14.1206","0.0016","14.49","0.0016","18.733","0.002","90","","95.609","0.001","90","","3814.6","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(propane-1,3-diammonium) decavanadate 5.5-hydrate","","- C9 H47 N6 O33.5 V10 -","- C9 H46 N6 O33.5 V10 -","- C36 H184 N24 O134 V40 -","4","1","LN3021","Chun-Yuan Zhu; Yan-Tuan Li; Zhi-Yong Wu; Man Jiang","Tris(propane-1,3-diammonium) decavanadate 5.5-hydrate","Acta Crystallographica Section E","2006","62","11","m3092","m3095","10.1107/S1600536806042553","","","0.71073","MoKα","","0.0451","0.0346","","","0.0807","0.0844","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211123","15.214","0.002","18.215","0.003","21.231","0.003","90","","103.37","0.003","90","","5724.1","1.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis-[4,4'-bipyridinium(1+)] 4,4'-bipyridinium(2+) dodecamolybdogermanate(4-) dihydrate","Bis[4,4'-bipyridinium(1+)] 4,4'-bipyridinium(2+) dodecamolybdogermanate(4-) dihydrate","","- C30 H32 Ge Mo12 N6 O42 -","- C30 H32 Ge Mo12 N6 O42 -","- C120 H128 Ge4 Mo48 N24 O168 -","4","0.5","MG2004","De-Wu Sun; Hong-Ju Zhai","Bis[4,4'-bipyridinium(1+)] 4,4'-bipyridinium(2+) dodecamolybdogermanate(4{-}) dihydrate","Acta Crystallographica Section E","2006","62","11","m2937","m2939","10.1107/S1600536806040578","","","0.71073","MoKα","","0.0556","0.0379","","","0.0857","0.0944","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211124","6.3359","0.0005","17.3414","0.0014","18.4066","0.0015","90","","90","","90","","2022.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1'-Methyl-4'-phenyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-1''- cyclooctane-2(3H),2''-dione","","- C25 H28 N2 O2 -","- C25 H28 N2 O2 -","- C100 H112 N8 O8 -","4","1","NC2022","R. Ganesh Kumar; D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran","1'-Methyl-4'-phenyl-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-1''-cyclooctane-2(3<i>H</i>),2''-dione","Acta Crystallographica Section E","2006","62","11","o4821","o4823","10.1107/S1600536806039481","","","0.71073","MoKα","","0.0435","0.0407","","","0.1062","0.1085","","","","","","1.184","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211125","9.6639","0.0019","15.692","0.003","10.083","0.002","90","","111.69","0.03","90","","1420.8","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly-catena-[(2,2'-bipyridine-N,N')(formato)(μ-formato-O,O')copper(II) formic acid solvate]","","- C13 H12 Cu N2 O6 -","- C13 H12 Cu N2 O6 -","- C52 H48 Cu4 N8 O24 -","4","1","NG2087","Lin, Jian-Li; Hu, Lin-Jing; Wu, Ling; Wang, Yuan-Yuan; Zheng, Yue-Qing","<i>catena</i>-Poly[[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(formato-κ<i>O</i>)copper(II)]-μ-formato-κ^2^<i>O</i>:<i>O</i>'] formic acid solvate]","Acta Crystallographica Section E","2006","62","11","m2866","m2868","10.1107/S1600536806040475","","","0.71073","MoKα","","0.0388","0.0297","","","0.0674","0.0711","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211126","15.7764","0.0016","15.7764","","20.455","0.002","90","","90","","120","","4409.1","0.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Tris[2-(1H-imidazol-2-yl)phenolato-κ^2^N,O]chromium(II) methanol trisolvate","","- C30 H33 Cr N6 O6 -","- C30 H33 Cr N6 O6 -","- C180 H198 Cr6 N36 O36 -","6","0.333333","NG2089","He, Hong-Shan","Tris[2-(1<i>H</i>-imidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]chromium(III) methanol trisolvate","Acta Crystallographica Section E","2006","62","11","m2886","m2888","10.1107/S1600536806041250","","","0.71073","MoKα","","0.0977","0.0469","","","0.1075","0.1297","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211127","15.3323","0.0015","10.3718","0.001","19.5278","0.0019","90","","102.253","0.001","90","","3034.6","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridine-κ^2^N,N')(hippurato-κO)copper(II) perchlorate dihydrate","","- C29 H28 Cl Cu N5 O9 -","- C29 H28 Cl Cu N5 O9 -","- C116 H112 Cl4 Cu4 N20 O36 -","4","1","NG2100","Fu-Ping Chen; Xian-Wen Wang; Bo Hu; Ying Chen; Jing-Zhong Chen","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(hippurato-κ<i>O</i>)copper(II) perchlorate dihydrate","Acta Crystallographica Section E","2006","62","11","m3044","m3046","10.1107/S1600536806042693","","","0.71073","MoKα","","0.0715","0.0412","","","0.1021","0.1179","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211128","10.931","0.003","9.071","0.003","20.571","0.005","90","","94.78","0.03","90","","2032.6","1","293","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(guanidinium) diaquapentanitrato-κ^10^O,O'-praseodymium","","- C2 H16 N11 O17 Pr -","- C2 H16 N11 O17 Pr -","- C8 H64 N44 O68 Pr4 -","4","0.5","NG2104","Rohde, Alexander; Urland, Werner","Bis(guanidinium) diaquapentanitrato-κ^10^<i>O</i>,<i>O</i>'-praseodymate(III)","Acta Crystallographica Section E","2006","62","11","m3026","m3028","10.1107/S1600536806038980","","","0.71073","MoKα","","0.0224","0.0204","","","0.0517","0.0523","","","","","","1.076","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211129","27.665","0.002","8.651","0.0014","9.9345","0.0015","90","","90","","90","","2377.6","0.6","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Poly[[diaquasamarium(III)]-μ~3~-biphenyl-4,4'-dicarboxylato- μ~3~-4'-carboxylbiphenyl-4-carboxylato]","","- C28 H21 O10 Sm -","- C28 H21 O10 Sm -","- C112 H84 O40 Sm4 -","4","0.5","NG2106","Bin Yu; Wang, Xiao-Qing; Kou, Hui-Zhong; Shen, Guang-Qiu; Shen, De-Zhong","Poly[[diaquasamarium(III)]-μ~3~-(biphenyl-4,4'-dicarboxylato)-μ~3~-(4'-carboxylbiphenyl-4-carboxylato)]","Acta Crystallographica Section E","2006","62","11","m3078","m3079","10.1107/S1600536806043340","","","0.71073","MoKα","","0.0438","0.0341","","","0.0776","0.0828","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211130","5.5628","0.0003","22.2025","0.0013","13.5034","0.0008","90","","98.522","0.001","90","","1649.36","0.16","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(μ-1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)- 1,8-naphtyridine-3-carboxylato)cadmium(II)] trihydrate]","","- C30 H38 Cd F2 N8 O9 -","- C30 H38 Cd F2 N8 O9 -","- C60 H76 Cd2 F4 N16 O18 -","2","0.5","NG2107","Le-Hua Zhang; Zhe An; Ying-Ji Wang; Wei Qi; Ling Zhu","Poly[[bis(μ-1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,8-naphthyridine-3-carboxylato)cadmium(II)] trihydrate]","Acta Crystallographica Section E","2006","62","11","m2816","m2817","10.1107/S1600536806039663","","","0.71069","MoKα","","0.0393","0.032","","","0.0871","0.093","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211131","9.881","0.0004","11.9158","0.0005","13.411","0.0005","85.212","0.002","80.197","0.002","75.255","0.002","1503.38","0.11","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[di-n-butyltin(IV)]-μ-trifluoromethanesulfonato- [[di-n-butyl(trifluoromethanesulfonato)tin(IV)]-di-μ-hydroxo]]","","- C18 H38 F6 O8 S2 Sn2 -","- C18 H38 F6 O8 S2 Sn2 -","- C36 H76 F12 O16 S4 Sn4 -","2","1","NG2109","Ballivet-Tkatchenko, Danielle; Cattey, Hélène; Plasseraud, Laurent; Richard, Philippe","<i>catena</i>-Poly[[di-<i>n</i>-butyltin(IV)]-μ-trifluoromethanesulfonato-[[di-<i>n</i>-butyl(trifluoromethanesulfonato)tin(IV)]-di-μ-hydroxo]]","Acta Crystallographica Section E","2006","62","11","m2820","m2822","10.1107/S160053680603964X","","","0.71073","MoKα","","","0.0345","","","","0.0874","","","","","","1.11","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211132","8.2256","0.0004","29.7398","0.0013","19.5891","0.0009","90","","101.875","0.002","90","","4689.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Dimethylformamide-κO)(Acetylacetonato-κ^2^O,O') [N-salicylaldehyde-N'-phenoxyacetylhydrazonato-κ^3^O,N,O']cobalt(III)","","- C23 H26 Co N3 O6 -","- C23 H26 Co N3 O6 -","- C184 H208 Co8 N24 O48 -","8","2","NG2110","Chen, Xiao-Hua; Liu, Shi-Xiong","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(dimethylformamide-κ<i>O</i>)[2-phenoxyethanal (2-oxidobenzylidene)hydrazonato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']cobalt(III)","Acta Crystallographica Section E","2006","62","11","m2869","m2871","10.1107/S1600536806039997","","","0.71073","MoKα","","0.0999","0.0438","","","0.1003","0.1239","","","","","","0.918","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211133","7.252","0.0015","10.38","0.002","10.77","0.002","61.26","0.016","74.44","0.014","70.02","0.02","662.7","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","N,N'-Butanedioylbis(4-ferrocenyl-3-methyl-1H-pyrazole)","","- C32 H30 Fe2 N4 O2 -","- C32 H30 Fe2 N4 O2 -","- C32 H30 Fe2 N4 O2 -","1","0.5","NG2112","Yao-Cheng Shi; Chun-Xia Sui; Bei-Bei Zhu","<i>N</i>,<i>N</i>'-Butanedioylbis(3-ferrocenyl-5-methyl-1<i>H</i>-pyrazole)","Acta Crystallographica Section E","2006","62","11","m2781","m2783","10.1107/S160053680603933X","","","0.71073","MoKα","","0.0657","0.0448","","","0.1352","0.1846","","","","","","1.201","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211134","15.768","0.009","12.437","0.007","15.877","0.009","90","","90","","90","","3114","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","salicylato dimethyltitanocene","Bis(η^5^-methylcyclopentadienyl)(salicylato-κ^2^O,O')titanium(IV)","","- C19 H18 O3 Ti -","- C19 H18 O3 Ti -","- C152 H144 O24 Ti8 -","8","1","NG2113","Fang Xu; Zi-Wei Gao; Ling-Xiang Gao; Jin-Ling Li","Bis(η^5^-methylcyclopentadienyl)(salicylato-κ^2^<i>O</i>,<i>O</i>')titanium(IV)","Acta Crystallographica Section E","2006","62","11","m2811","m2812","10.1107/S1600536806039675","","","0.71073","MoKα","","0.1185","0.0503","","","0.1195","0.1604","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211135","11.21","0.002","28.436","0.006","9.604","0.002","90","","115.18","0.03","90","","2770.5","1.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis[(4-bromo-2-fluorobenzyl)triphenylphosphonium] bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(II)","","- C58 H40 Br2 F2 N4 Ni P2 S4 -","- C58 H40 Br2 F2 N4 Ni P2 S4 -","- C116 H80 Br4 F4 N8 Ni2 P4 S8 -","2","0.5","NG2114","Ming-Guo Liu; Chun-Lin Ni","Bis[(4-bromo-2-fluorobenzyl)triphenylphosphonium] bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(II)","Acta Crystallographica Section E","2006","62","11","m2851","m2852","10.1107/S1600536806040359","","","0.71073","MoKα","","0.1208","0.0862","","","0.2716","0.2935","","","","","","1.059","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211136","17.354","0.002","12.918","0.0014","6.4764","0.001","90","","111.685","0.004","90","","1349.1","0.3","113","2","113","2","","","","","","","","5","C 1 2 1","C 2y","5","","catena-Poly[[dodecaaqua(μ~3~-benzene-1,3,5- tricarboxylato)dinickel(II)zinc(II)]-μ-benzene-1,3,5-tricarboxylato]","","- C18 H30 Ni2 O24 Zn -","- C18 H30 Ni2 O24 Zn -","- C36 H60 Ni4 O48 Zn2 -","2","0.5","NG2116","Liang, Shuang; Wang, Hua; Wang, Zhen; Han, Jin-Yu","<i>catena</i>-Poly[[dodecaaqua(μ~3~-benzene-1,3,5-tricarboxylato)dinickel(II)zinc(II)]-μ-benzene-1,3,5-tricarboxylato]","Acta Crystallographica Section E","2006","62","11","m3014","m3015","10.1107/S1600536806042413","","","0.7107","MoKα","","0.0286","0.025","","","0.0537","0.0542","","","","","","0.979","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211137","7.0547","0.0017","11.229","0.003","18.518","0.004","88.94","0.005","89.014","0.004","72.403","0.005","1398","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Lithium hexaamminecobalt tetrakis(malonato-κ^2^O,O'')plutonium(IV) pentahydrate","","- C12 H36 Co Li N6 O21 Pu -","- C12 H36 Co Li N6 O21 Pu -","- C24 H72 Co2 Li2 N12 O42 Pu2 -","2","1","NG2119","Grigoriev, Mikhail S.; Krot, Nikolai N.; Bessonov, Alexei A.; Lyssenko, Konstantin A.","Lithium(I) hexaamminecobalt(III) tetrakis(malonato-κ^2^<i>O</i>,<i>O</i>'')plutonate(IV) pentahydrate","Acta Crystallographica Section E","2006","62","11","m2889","m2890","10.1107/S1600536806041328","","","0.71073","MoKα","","0.0804","0.0526","","","0.1105","0.1217","","","","","","1.013","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211138","32.739","0.002","11.3308","0.0008","11.9635","0.0009","90","","109.297","0.002","90","","4188.6","0.5","223","2","223","2","","","","","","","","7","C 1 2 1","C 2y","5","","catena-Poly[[[bis[(-)-O-bornyldithiocarbonato-κ^2^S,S']nickel(II)]-μ-4,4'- bipyridine-κ^2^N:N'] chloroform disolvate]","","- C34 H44 Cl6 N2 Ni O2 S4 -","- C34 H44 Cl6 N2 Ni O2 S4 -","- C136 H176 Cl24 N8 Ni4 O8 S16 -","4","1","NG2122","Dakternieks, Dainis; Duthie, Andrew; Lai, Chian-Sing; Tiekink, Edward R. T.","<i>catena</i>-Poly[[[bis[({-})-<i>O</i>-bornyldithiocarbonato-κ^2^<i>S</i>,<i>S</i>']nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] chloroform disolvate]","Acta Crystallographica Section E","2006","62","11","m3006","m3008","10.1107/S1600536806042681","","","0.71069","MoKα","","0.085","0.059","","","0.149","0.165","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211139","12.985","0.003","8.2142","0.0016","22.392","0.005","90","","95.19","0.03","90","","2378.6","0.9","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[μ-2-(1H-benzoimidazol-2-yl)benzoato-κ^2^N:O]bis{[2-(1H-benzoimidazol- 2-yl)benzoato-κ^2^N,O]zinc(II)}","","- C56 H36 N8 O8 Zn2 -","- C56 H36 N8 O8 Zn2 -","- C112 H72 N16 O16 Zn4 -","2","0.5","NG2127","Guang-Bo Che; Jun Sun; Chun-Bo Liu; Zhan-Lin Xu","Bis[μ-2-(1<i>H</i>-benzoimidazol-2-yl)benzoato-κ^2^<i>N</i>:<i>O</i>]bis{[2-(1<i>H</i>-benzoimidazol-2-yl)benzoato-κ^2^<i>N</i>,<i>O</i>]zinc(II)}","Acta Crystallographica Section E","2006","62","11","m3101","m3103","10.1107/S1600536806044011","","","0.71073","MoKα","","0.0838","0.0453","","","0.0796","0.0901","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211140","9.7449","0.0011","10.6706","0.0012","17.883","0.002","96.731","0.002","98.989","0.002","117.028","0.002","1598.2","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","(2,2'-bipyridine-κ^2^N,N')dibromo-<i>cis</i>-bis[1,1- diphenylhydrazido(2-)]molybdenum(VI)","","- C34 H28 Br2 Mo N6 -","- C34 H28 Br2 Mo N6 -","- C68 H56 Br4 Mo2 N12 -","2","1","NG2129","Bustos, Carlos; Sánchez, Christian; Schott, Eduardo; Garland, Maria Teresa; Alvarez-Thon, Luis","Intramolecular π‒π stacking and bromine interactions in (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dibromo-<i>cis</i>-bis[1,1-diphenylhydrazido(2{-})]molybdenum(VI)","Acta Crystallographica Section E","2006","62","11","m3104","m3106","10.1107/S1600536806043996","","","0.71073","MoKα","","0.0599","0.042","","","0.092","0.0996","","","","","","0.99","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211141","9.7252","0.0002","10.4534","0.0002","10.6002","0.0003","100.472","0.0009","97.0821","0.0009","117.478","0.001","913.25","0.04","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","4-morpholinoaniline","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","2","OB2066","Parkin, Sean; Long, Sihui","4-Morpholinoaniline","Acta Crystallographica Section E","2006","62","11","o4870","o4871","10.1107/S1600536806040244","","","0.71073","MoKα","","0.0756","0.0465","","","0.1173","0.1317","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211142","11.963","0.002","15.857","0.003","14.939","0.002","90","","113.603","0.003","90","","2596.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris[2-(4-hydroxybenzoyloxy)ethyl]ammonium chloride","","- C27 H28 Cl N O9 -","- C27 H28 Cl N O9 -","- C108 H112 Cl4 N4 O36 -","4","1","OB2071","Zhang, Zhong; Li, Yi-Zhi; Wu, Li-Zhen; Feng, Xi-Mei; Wang, Zhi-Lin","Tris[2-(4-hydroxybenzoyloxy)ethyl]ammonium chloride","Acta Crystallographica, Section E","2006","62","11","m2823","m2825","10.1107/S1600536806040001","","","0.71073","MoKα","","0.0885","0.0637","","","0.1415","0.1506","","","","","","1.082","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2211143","19.899","0.0017","9.1119","0.0008","12.2503","0.001","90","","90","","90","","2221.2","0.3","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","catena-Poly[bis{N-(2-pyridylmethyl)imidazole-κN}(μ-sulfato- κ^2^O,O')diaquacobalt(II)]","","- C18 H22 Co N6 O6 S -","- C18 H22 Co N6 O6 S -","- C72 H88 Co4 N24 O24 S4 -","4","0.5","OB2072","Tian-Jun Lou; Yong-Fang Li; Yong Zhu","<i>catena</i>-Poly[bis{<i>N</i>-(2-pyridylmethyl)imidazole-κ<i>N</i>}(μ-sulfato-κ^2^<i>O</i>,<i>O</i>')diaquacobalt(II)]","Acta Crystallographica Section E","2006","62","11","m2832","m2834","10.1107/S1600536806040050","","","0.71073","MoKα","","0.0315","0.0252","","","0.0645","0.0692","","","","","","1.049","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211144","9.6139","0.0002","10.5459","0.0002","17.3756","0.0003","90","","90","","90","","1761.66","0.06","100","0.1","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Nitroisophthalic acid hydrate","","- C8 H7 N O7 -","- C8 H7 N O7 -","- C64 H56 N8 O56 -","8","1","OB2073","Muhammad I. Saleh; Weng-Thim Tham; Rohana Adnan; Eny Kusrini; Shea-Lin Ng; Hoong-Kun Fun","A second orthorhombic polymorph of 5-nitroisophthalic acid monohydrate","Acta Crystallographica Section E","2006","62","11","o4837","o4839","10.1107/S1600536806040062","","","0.71073","MoKα","","0.0527","0.0417","","","0.1077","0.1143","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211145","10.724","0.002","7.705","0.0015","16.914","0.003","90","","96.15","0.03","90","","1389.5","0.5","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Methyl-1-(p-tolylsulfonyl)-2,3,4,5- tetrahydrocyclopentene[b]pyrrole","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C60 H76 N4 O8 S4 -","4","1","OB2074","Hu, Yi-Min; Qu, Yuan; Chen, Dong; Wu, Feng-Hua; Zhang, Li-Dong","5-Methyl-1-(<i>p</i>-tolylsulfonyl)-2,3,4,5-tetrahydrocyclopentene[<i>b</i>]pyrrole","Acta Crystallographica Section E","2006","62","11","o4946","o4947","10.1107/S1600536806041444","","","0.71073","MoKα","","0.0658","0.0459","","","0.1141","0.1426","","","","","","1.022","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211146","6.9966","0.0008","17.994","0.002","26.469","0.003","90","","90","","90","","3332.4","0.7","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-4-(4-methylbenzylideneamino)-1, 5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C152 H152 N24 O8 -","8","1","OB2075","Yang, Ming-Hua; Yang, Guo-Bing; Zheng, Yun-Fa; Zhang, Chun-Niu","(<i>E</i>)-1,5-Dimethyl-4-(4-methylbenzylideneamino)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o4944","o4945","10.1107/S1600536806041080","","","0.71073","MoKα","","0.0918","0.0508","","","0.0798","0.0837","","","","","","1.081","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211147","14.258","0.002","12.21","0.004","12.911","0.003","90","","109.55","0.02","90","","2118.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-5-(<i>tert</i>-butyl)-2-(4-isopropylphenyl)- 2-methoxy-1-cyclohexanone","","- C20 H30 Br N O2 -","- C20 H30 Br N O2 -","- C80 H120 Br4 N4 O8 -","4","1","OB2076","M. Periasamy; L. Anjana; S. Athimoolam; A. Ponnusamy; S. Natarajan","3-Bromo-5-<i>tert</i>-butyl-2-(4-isopropylphenyl)-2-methoxycyclohexan-1-one oxime","Acta Crystallographica Section E","2006","62","11","o4899","o4901","10.1107/S1600536806041067","","","0.71073","MoKα","","0.1678","0.0598","","","0.1121","0.1454","","","","","","1","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211148","29.6743","0.0004","7.7695","0.0001","21.7331","0.0003","90","","127.118","0.001","90","","3995.47","0.11","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 7-hydroxy-1H-indole-1-carboxylate","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C176 H176 N16 O48 -","16","2","OB2077","G. Senthil Kumar; K. Chinnakali; R. Balamurugan; A. K. Mohanakrishnan; Hoong-Kun Fun","Ethyl 7-hydroxy-1<i>H</i>-indole-1-carboxylate","Acta Crystallographica Section E","2006","62","11","o4969","o4971","10.1107/S1600536806041808","","","0.71073","MoKα","","0.0398","0.0346","","","0.085","0.0888","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211149","11.1348","0.0004","16.7669","0.0006","8.811","0.0003","90","","106.761","0.002","90","","1575.09","0.1","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-methoxybenzohydroxamic acid","2-methoxybenzohydroxamic acid","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","2","OB2079","Nagarajan Vembu; Anthony Linden; Jean Lee; John G. Kelly; Kevin B. Nolan; Marc Devocelle","2-Methoxybenzohydroxamic acid: supramolecular aggregation through two-dimensional networks of N—H···O and O—H···O interactions","Acta Crystallographica Section E","2006","62","11","o4955","o4957","10.1107/S1600536806041614","","","0.71073","MoKα","","0.0751","0.0599","","","0.1427","0.156","","","","","","1.17","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211150","13.5332","0.0004","4.85","0.0002","13.282","0.0004","90","","104.661","0.0019","90","","843.39","0.05","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-iodoanthranilichydroxamic acid","2-amino-5-iodobenzohydroxamic acid","","- C7 H7 I N2 O2 -","- C7 H7 I N2 O2 -","- C28 H28 I4 N8 O8 -","4","1","OB2080","Nagarajan Vembu; Anthony Linden; Jean Lee; John G. Kelly; Kevin B. Nolan; Marc Devocelle","2-Amino-5-iodobenzohydroxamic acid: supramolecular aggregation through two-dimensional networks of N—H···O, O—H···N and C—H···O interactions","Acta Crystallographica Section E","2006","62","11","o5083","o5085","10.1107/S1600536806042383","","","0.71073","MoKα","","0.0463","0.0369","","","0.0853","0.0907","","","","","","1.181","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211151","13.799","0.003","4.8292","0.001","13.206","0.003","90","","103.88","0.03","90","","854.3","0.3","193","2","193","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","3,5-Dichloroanthranilic hydroxamic acid","2-Amino-3,5-dichlorobenzohydroxamic acid","","- C7 H6 Cl2 N2 O2 -","- C7 H6 Cl2 N2 O2 -","- C28 H24 Cl8 N8 O8 -","4","1","OB2081","Nagarajan Vembu; Jean Lee; John G. Kelly; Kevin B. Nolan; Marc Devocelle","2-Amino-3,5-dichlorobenzohydroxamic acid: supramolecular aggregation through two-dimensional networks of O—H···N/O and N—H···O/Cl interactions","Acta Crystallographica Section E","2006","62","11","o5086","o5088","10.1107/S1600536806042395","","","0.71073","MoKα","","0.0628","0.0389","","","0.0909","0.0978","","","","","","1.093","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211152","9.3022","0.0008","10.0796","0.0008","12.4308","0.0016","106.943","0.002","107.763","0.002","103.657","0.002","991.92","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(±)-2,4-Dichloro-6-{(RS)-phenyl[(1RS)-1,2,3,4- tetrahydronaphthalen-1-ylamino]methyl}phenol","","- C23 H21 Cl2 N O -","- C23 H21 Cl2 N O -","- C46 H42 Cl4 N2 O2 -","2","1","OB2082","Guang-You Zhang; Wan-Hui Wang; Jian-Guo Chang; Hai-Min Zhang","(±)-2,4-Dichloro-6-{(<i>RS</i>)-phenyl[(1<i>RS</i>)-1,2,3,4-tetrahydronaphthalen-1-ylamino]methyl}phenol","Acta Crystallographica Section E","2006","62","11","o5288","o5289","10.1107/S1600536806044047","","","0.71073","MoKα","","0.0623","0.0441","","","0.1336","0.1523","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211153","11.193","0.003","7.731","0.002","30.815","0.008","90","","90","","90","","2666.5","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triaqua[N-(5-formylsalicylidene)glycinato(2-)-κ^3^O,N,O']cobalt(II) monohydrate","","- C10 H15 Co N O8 -","- C10 H15 Co N O8 -","- C80 H120 Co8 N8 O64 -","8","1","OB2084","Ying-Heng Huang; Jin-Hua Cai; Xiu-Ju Yin; Yi-Min Jiang","Triaqua[<i>N</i>-(5-formylsalicylidene)glycinato(2{-})-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']cobalt(II) monohydrate","Acta Crystallographica Section E","2006","62","11","m2922","m2924","10.1107/S1600536806041626","","","0.71073","MoKα","","0.065","0.0358","","","0.0898","0.0966","","","","","","0.873","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211154","10.2911","0.0002","14.0805","0.0003","15.6118","0.0003","90","","90","","90","","2262.21","0.08","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3'S,4R)-3-(3'-Cyclopentyl-3'-phenylpropanoyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","OB2085","Lei Nie; Rui Yang; Jing Cheng; Sheng-Jiao Yan; Jun Lin","(3'<i>S</i>,4<i>R</i>)-3-(3'-Cyclopentyl-3'-phenylpropanoyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2006","62","11","o5132","o5133","10.1107/S1600536806042851","","","0.71073","MoKα","","0.0579","0.0412","","","0.1088","0.1206","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211155","12.6478","0.0011","12.8564","0.0011","18.2165","0.0015","90","","90","","90","","2962.1","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[[2-Chloro-5-(4-methoxyphenyl)pyridin-3-yl](hydroxy)methyl]acrylonitrile","","- C16 H13 Cl N2 O2 -","- C16 H13 Cl N2 O2 -","- C128 H104 Cl8 N16 O16 -","8","1","OB2086","G. Y. S. K. Swamy; K. Ravikumar; P. Narender; V. Jayathirtha Rao","2-{[2-Chloro-5-(4-methoxyphenyl)pyridin-3-yl](hydroxy)methyl}acrylonitrile","Acta Crystallographica Section E","2006","62","11","o5063","o5064","10.1107/S160053680604181X","","","0.71073","MoKα","","0.0731","0.0535","","","0.122","0.1311","","","","","","1.117","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211156","6.6413","0.0009","11.5686","0.0019","16.766","0.003","90","","90","","90","","1288.1","0.4","173","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-N-(tert-Butoxycarbonyl)-L-proline-2-thioamide","","- C10 H18 N2 O2 S -","- C10 H18 N2 O2 S -","- C40 H72 N8 O8 S4 -","4","1","OB2087","Oku, Hiroyuki; Yoshinari, Takamasa; Yamada, Keiichi; Katakai, Ryoichi","({-})-<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-<small>L</small>-proline-2-thioamide (Boc-<small>L</small>-Pro-thioamide)","Acta Crystallographica Section E","2006","62","11","o5298","o5300","10.1107/S1600536806043947","","","1.5418","CuKα","","","0.0414","","","","0.1296","","","","","","1.054","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211157","16.561","0.002","9.301","0.003","17.904","0.003","90","","92.28","0.01","90","","2755.6","1.1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-butyrato-κ^2^O:O')bis(μ-1,8-naphthyridine- κ^2^N:N')bis[chlororhodium(II)] acetonitrile solvate","","- C26 H29 Cl2 N5 O4 Rh2 -","- C26 H29 Cl2 N5 O4 Rh2 -","- C104 H116 Cl8 N20 O16 Rh8 -","4","1","OB2088","Ebihara, Masahiro; Yang, Zhiyong; Kawamura, Takashi","Bis(μ-butyrato-κ^2^<i>O</i>:<i>O</i>')bis(μ-1,8-naphthyridine-κ^2^<i>N</i>:<i>N</i>')bis[chlororhodium(II)](<i>Rh{—</i>Rh}) acetonitrile solvate","Acta Crystallographica Section E","2006","62","11","m3031","m3033","10.1107/S1600536806043108","","","0.7107","MoKα","","0.0338","0.0234","","","0.054","0.057","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211158","13.496","0.003","9.5681","0.0019","25.706","0.005","90","","90","","90","","3319.4","1.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[diaqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]- μ-acetylenedicarboxylato-κ^2^O:O']","","- C16 H12 Co N2 O6 -","- C16 H12 Co N2 O6 -","- C128 H96 Co8 N16 O48 -","8","1","OB2089","Wang, Huan-Yu; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-acetylenedicarboxylato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","11","m3152","m3154","10.1107/S1600536806044734","","","0.71073","MoKα","","0.0351","0.0261","","","0.066","0.0695","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211159","9.363","0.0019","9.991","0.002","10.629","0.002","89.79","0.03","79.7","0.03","73.99","0.03","939.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[4,4'-bipyridinium(2+) [[di-μ-formato-κ^4^O:O-bis[aqua(sulfato-κO) manganese(II)]]-di-μ-4,4'-bipyridine-1κN:1'κN';2κN:2'κN'] dihydrate]","","- C32 H36 Mn2 N6 O16 S2 -","- C32 H36 Mn2 N6 O16 S2 -","- C32 H36 Mn2 N6 O16 S2 -","1","0.5","OB2092","Jian-Li Lin; Yue-Qing Zheng","<i>catena</i>-Poly[4,4'-bipyridinium(2+) [[di-μ-formato-κ^4^<i>O</i>:<i>O</i>-bis[aqua(sulfato-κ<i>O</i>)manganate(II)]]-di-μ-4,4'-bipyridine-1κ<i>N</i>:1'κ<i>N</i>';2κ<i>N</i>:2'κ<i>N</i>'] dihydrate]","Acta Crystallographica Section E","2006","62","11","m3131","m3133","10.1107/S1600536806044370","","","0.71073","MoKα","","0.0483","0.0374","","","0.1263","0.1817","","","","","","1.17","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211160","11.7238","0.0002","13.535","0.0001","13.6101","0.0001","65.066","0.002","72.973","0.002","73.131","0.001","1837.59","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis[(2,2'-bipyridine-N,N')-μ~2~-(1H-imidazole- 4,5-dicarboxylato-N,O: N',O')cobalt(III)] hexadecahydrate","","- C60 H68 Co4 N16 O32 -","- C60 H68 Co4 N16 O32 -","- C60 H68 Co4 N16 O32 -","1","0.5","OB3024","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","<i>cyclo</i>-Tetrakis(μ-1<i>H</i>-imidazole-4,5-dicarboxylato-κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>')tetrakis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] hexadecahydrate","Acta Crystallographica Section E","2006","62","11","m2860","m2862","10.1107/S1600536806040451","","","0.71073","MoKα","","0.094","0.054","","","0.149","0.169","","","","","","0.96","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211161","16.662","0.004","5.5801","0.0013","16.295","0.004","90","","103.958","0.004","90","","1470.3","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","Dichlorobis{1-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-ylmethyl]- 1H-1,2,4-triazole-κN^4^}zinc(II)","","- C24 H22 Cl6 N6 O4 Zn -","- C24 H22 Cl6 N6 O4 Zn -","- C48 H44 Cl12 N12 O8 Zn2 -","2","0.5","OB3027","Xie, Xue-Qun; Yang, Chun-Long; Li, Qian-Jin; Luo, Jin-Xiang","Dichlorobis(1-{[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)zinc(II)","Acta Crystallographica Section E","2006","62","11","m3096","m3097","10.1107/S1600536806042723","","","0.71073","MoKα","","0.0522","0.048","","","0.1113","0.1138","","","","","","0.994","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211162","9.124","0.003","12.398","0.003","12.472","0.004","90","","90","","90","","1410.8","0.7","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1R,4R)-(+)-3-benzoylcamphor","(+)-(1R,4R)-3-benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","OM2056","Seo, Jang Woo; Niemeyer, Mark","The diketo form of (+)-(1<i>R</i>,4<i>R</i>)-3-benzoylcamphor","Acta Crystallographica Section E","2006","62","11","o4850","o4852","10.1107/S1600536806039808","","","0.71073","MoKα","","0.06","0.044","","","0.102","0.11","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211163","5.8911","0.0012","6.7028","0.0013","8.8707","0.0018","76.5","0.03","71.33","0.03","67.44","0.03","303.99","0.13","295","","295","","","","","","","","","4","P -1","-P 1","2","1-(4-(2-Oxopyridin-1(2H)-yl)phenyl)pyridin-2(1H)-one","1-{4-[2-Oxopyridin-1(2H)-yl]phenyl}pyridin-2(1H)-one","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","1","0.5","OM2057","Li, Chenguang; Robinson, Paul D.; Dyer, Daniel J.","1-[4-(2-Oxo-1,2-dihydropyridin-1-yl)phenyl]pyridin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o5045","o5047","10.1107/S1600536806041274","","","0.71073","MoKα","","0.055","0.04","","","0.102","0.111","","","","","","1.07","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211164","9.1284","0.0018","9.783","0.002","24.156","0.005","90","","90","","90","","2157.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Chlorophenyl)-1H-benzimidazole","","- C13 H9 Cl N2 -","- C13 H9 Cl N2 -","- C104 H72 Cl8 N16 -","8","1","OM2059","Fang-Fang Jian; Huan-Qing Yu; Yuan-Biao Qiao; Pu-Su Zhao; Hai-Lian Xiao","2-(4-Chlorophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2006","62","11","o5194","o5195","10.1107/S1600536806043017","","","0.71073","MoKα","","0.0949","0.073","","","0.1412","0.1502","","","","","","1.209","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211165","10.2224","0.0001","8.5086","0.0001","19.1733","0.0003","90","","91.445","0.001","90","","1667.13","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methyl 2-bromomethyl-1-phenylsulfonyl-1H-indole-3-carboxylate","","- C17 H14 Br N O4 S -","- C17 H14 Br N O4 S -","- C68 H56 Br4 N4 O16 S4 -","4","1","OM2060","G. Senthil Kumar; K. Chinnakali; N. Ramesh; A. K. Mohanakrishnan; Hoong-Kun Fun","Methyl 2-bromomethyl-1-phenylsulfonyl-1<i>H</i>-indole-3-carboxylate","Acta Crystallographica Section E","2006","62","11","o5155","o5157","10.1107/S1600536806043339","","","0.71073","MoKα","","0.0683","0.0404","","","0.0933","0.1053","","","","","","1.014","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211166","7.462","0.001","14.166","0.002","7.3202","0.001","90","","98.975","0.011","90","","764.32","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Nitro-1,3-benzodioxole-4-carbaldehyde","","- C8 H5 N O5 -","- C8 H5 N O5 -","- C32 H20 N4 O20 -","4","1","OM2063","Hussain, Mukhtiar; Ali, Saqib; Altaf, Muhammad; Stoeckli-Evans, Helen","6-Nitro-1,3-benzodioxole-4-carbaldehyde","Acta Crystallographica Section E","2006","62","11","o5323","o5325","10.1107/S1600536806043972","","","0.71073","MoKα","","0.0574","0.0408","","","0.1072","0.1183","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211167","14.925","0.006","17.712","0.01","11.214","0.004","90","","91.497","0.014","90","","2963","2","298","1","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-(4-Chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide","","- C14 H15 Cl N2 O S -","- C14 H15 Cl N2 O S -","- C112 H120 Cl8 N16 O8 S8 -","8","1","RN2012","Jin-Hao Zhao; Jing-Li Cheng; Yan-Kun Huang; Guo-Nian Zhu","2-(4-Chlorophenyl)-3-methyl-<i>N</i>-(thiazol-2-yl)butanamide","Acta Crystallographica Section E","2006","62","11","o4840","o4841","10.1107/S160053680604013X","","","0.71075","MoKα","","","0.0378","","","","0.0978","","","","","","1.005","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211168","14.872","0.003","10.963","0.002","9.852","0.002","90","","108.58","0.03","90","","1522.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[4,5-Dihydro-5-phenyl-3-(p-tolyl)pyrazol-1-yl]ethanone","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","RZ2072","Fang-Fang Jian; Jing Wang; Hai-Lian Xiao","1-[4,5-Dihydro-5-phenyl-3-(<i>p</i>-tolyl)pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2006","62","11","o4771","o4772","10.1107/S1600536806039432","","","0.71073","MoKα","","0.1044","0.056","","","0.1531","0.1825","","","","","","1.041","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211169","8.8115","0.0007","10.2794","0.0006","14.2035","0.0013","90","","109.143","0.006","90","","1215.37","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-Acetyl-4-(phenyldiazenyl)phenol","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","RZ2074","Ocak Ískeleli, Nazan; Albayrak, Çig̃dem; Ag̃ar, Erbil","(<i>E</i>)-2-Acetyl-4-(phenyldiazenyl)phenol","Acta Crystallographica Section E","2006","62","11","o4802","o4803","10.1107/S1600536806039390","","","0.71073","MoKα","","0.1107","0.0591","","","0.1491","0.1811","","","","","","0.973","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211170","9.4393","0.0019","9.4588","0.0019","11.552","0.002","96.323","0.003","94.908","0.003","115.407","0.003","915.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Diisothiocyanato-1,2-bis(benzimidazol-2-yl)ethanecobalt(II)","","- C18 H14 Co N6 S2 -","- C18 H14 Co N6 S2 -","- C36 H28 Co2 N12 S4 -","2","1","RZ2075","Xiao-Ping Shen; Ai-Hua Yuan","[1,2-Bis(benzimidazol-2-yl)ethane]diisothiocyanatocobalt(II)","Acta Crystallographica Section E","2006","62","11","m2849","m2850","10.1107/S1600536806040566","","","0.71073","MoKα","","0.0365","0.0301","","","0.0628","0.0658","","","","","","1.074","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211171","7.3142","0.0005","8.3134","0.0011","9.7468","0.0016","96.266","0.004","108.402","0.006","114.087","0.006","493.64","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,5-Dimethoxy-N-methylphthalimide","5,6-Dimethoxy-2-methylisoindole-1,3-dione","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C22 H22 N2 O8 -","2","1","RZ2076","Warzecha, Klaus-Dieter; Neudörfl, Jörg; Griesbeck, Axel G.","5,6-Dimethoxy-2-methylisoindole-1,3-dione","Acta Crystallographica Section E","2006","62","11","o4919","o4921","10.1107/S1600536806040888","","","0.71073","MoKα","","0.0905","0.0517","","","0.1135","0.1241","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211172","16.389","0.002","34.178","0.004","9.729","0.002","90","","90","","90","","5449.6","1.5","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","N,N,N',N'-Tetraphenyl-1,1'-biphenyl-4,4'-diamine","","- C36 H28 N2 -","- C36 H28 N2 -","- C288 H224 N16 -","8","0.5","RZ2078","Zhang, Hai-Guang; Yu, Wen-Tao; Yan, Shi-Na; Cheng, Chao; Tao, Xu-Tang","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraphenyl-1,1'-biphenyl-4,4'-diamine","Acta Crystallographica Section E","2006","62","11","o5236","o5238","10.1107/S1600536806042978","","","0.71073","MoKα","","0.1187","0.0566","","","0.1266","0.1581","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211173","17.275","0.011","5.925","0.004","8.052","0.005","90","","93.041","0.013","90","","823","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Diamino-1,4-di-2-quinolyl-2,3-diaza-1,3-butadiene","","- C20 H16 N6 -","- C20 H16 N6 -","- C40 H32 N12 -","2","0.5","RZ2079","Ren-Hui, Xu; Jun, Zhou; Yan, Xu; Li, Qi; Dun-Ru, Zhu","1,4-Diamino-1,4-di-2-quinolyl-2,3-diaza-1,3-butadiene","Acta Crystallographica Section E","2006","62","11","o5234","o5235","10.1107/S1600536806042966","","","0.71073","MoKα","","0.1168","0.0665","","","0.1735","0.2027","","","","","","1.061","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2211174","8.5","0.003","5.95","0.002","15.665","0.004","90","","116.204","0.015","90","","710.8","0.4","298","2","298","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","(3-Ammonio-2-hydroxypropyl)carbamate monohydrate","","- C4 H12 N2 O4 -","- C4 H12 N2 O4 -","- C16 H48 N8 O16 -","4","1","RZ2080","Shi, Peng-Fei; Xu, Tong-Tao; Xu, Xing-You; Niu, Shao-Rui","(3-Ammonio-2-hydroxypropyl)carbamate monohydrate","Acta Crystallographica Section E","2006","62","11","o5191","o5193","10.1107/S1600536806043200","","","0.71073","MoKα","","0.0863","0.0512","","","0.1256","0.1486","","","","","","1.007","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211175","15.6885","0.0006","7.0857","0.0002","18.327","0.0006","90","","96.8","0.001","90","","2022.97","0.12","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4-Phenylenediaminium bis(toluene-4-sulfonate)","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C80 H96 N8 O24 S8 -","4","1","RZ2081","Kui-Wu Wang","1,4-Phenylenediaminium bis(toluene-4-sulfonate)","Acta Crystallographica Section E","2006","62","11","o5136","o5137","10.1107/S160053680604342X","","","0.71073","MoKα","","0.0484","0.0389","","","0.1357","0.1397","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211176","7.228","0.005","7.467","0.005","11.707","0.008","78.608","0.013","83.984","0.012","79.531","0.012","607.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","3-(2-Chloro-6-fluorophenyl)isocoumarin","3-(2-Chloro-6-fluorophenyl)-1H-isochromen-1-one","","- C15 H8 Cl F O2 -","- C15 H8 Cl F O2 -","- C30 H16 Cl2 F2 O4 -","2","1","RZ2083","Khalid, Muhammad; Qadeer, Ghulam; Khan, Gul Shahzada; Rama, Nasim Hasan; Wong, Wai-Yeung","3-(2-Chloro-6-fluorophenyl)-1<i>H</i>-isochromen-1-one","Acta Crystallographica Section E","2006","62","11","o5244","o5245","10.1107/S1600536806043777","","","0.71073","MoKα","","0.0719","0.0625","","","0.1769","0.1874","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211177","14.7856","0.0004","9.2479","0.0002","14.9692","0.0003","90","","99.071","0.001","90","","2021.23","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 3-(2-methoxycarbonylmethyl-1-phenylsulfonyl-1H-indol-3-yl)acrylate","","- C22 H21 N O6 S -","- C22 H21 N O6 S -","- C88 H84 N4 O24 S4 -","4","1","RZ2084","G. Senthil Kumar; K. Chinnakali; N. Ramesh; A. K. Mohanakrishnan; Hoong-Kun Fun","Ethyl 3-(2-methoxycarbonylmethyl-1-phenylsulfonyl-1<i>H</i>-indol-3-yl)acrylate","Acta Crystallographica Section E","2006","62","11","o5152","o5154","10.1107/S1600536806043443","","","0.71073","MoKα","","0.056","0.0406","","","0.1067","0.1158","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211178","12.334","0.0005","8.1155","0.0003","18.481","0.0007","90","","104.403","0.002","90","","1791.74","0.12","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly{[(1,10-phenanthroline-κ^2^N,N')zinc(II)]-μ- 3,5-dinitrosalicylato-κ^3^O,O':O''}","","- C19 H10 N4 O7 Zn -","- C19 H10 N4 O7 Zn -","- C76 H40 N16 O28 Zn4 -","4","1","RZ2085","Song, Wen-Dong; Xi, Dan-Li","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-3,5-dinitrosalicylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section E","2006","62","11","m3083","m3085","10.1107/S1600536806043844","","","0.71073","MoKα","","0.0414","0.0321","","","0.0856","0.0911","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211179","6.7719","0.0013","7.1878","0.0014","12.3152","0.0018","83.156","0.007","85.389","0.007","75.559","0.008","575.57","0.18","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","6-(4-chlorobenzyl)-4-amino-3-mercapto-1,2,4-triazin-5(4H)-one","","- C10 H9 Cl N4 O S -","- C10 H9 Cl N4 O S -","- C20 H18 Cl2 N8 O2 S2 -","2","1","RZ2086","Wen, Li-Rong; Zhou, Jian-Xia; Sun, En-Tao","4-Amino-6-(4-chlorobenzyl)-3-thioxo-2,3-dihydro-1,2,4-triazin-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o5230","o5231","10.1107/S1600536806043820","","","0.7107","MoKα","","0.0582","0.0384","","","0.0951","0.1046","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211180","12.054","0.002","26.329","0.005","7.5005","0.0015","90","","102.75","0.03","90","","2321.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-(4-Bromobenzyl)pyridinium bis(1,2-dicyanoethylene-1,2-dithiolato)cuprate(III)","1-(4-bromobenzyl)pyridinium bis(1,2-dicyanoethylene-1,2-dithiolato)cuprate(III)","","- C20 H11 Br Cu N5 S4 -","- C20 H11 Br Cu N5 S4 -","- C80 H44 Br4 Cu4 N20 S16 -","4","1","RZ2088","H. Xu; X.-M. Ren","1-(4-Bromobenzyl)pyridinium bis(1,2-dicyanoethylene-1,2-dithiolato)cuprate(III)","Acta Crystallographica Section E","2006","62","11","m3134","m3136","10.1107/S1600536806044230","","","0.71073","MoKα","","0.06","0.0385","","","0.0915","0.0995","","","","","","1.061","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211181","6.924","0.001","15.293","0.002","15.904","0.002","90","","102.072","0.002","90","","1646.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro{4-chloro-2-[(2-diethylaminoethylimino)methyl]phenolato- κ^2^N,O}copper(II)","","- C13 H19 Cl3 Cu N2 O -","- C13 H19 Cl3 Cu N2 O -","- C52 H76 Cl12 Cu4 N8 O4 -","4","1","RZ2089","Qing Wang; Xiao-Yang Qiu","Dichloro{4-chloro-2-[2-(diethylammonio)ethyliminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}copper(II)","Acta Crystallographica Section E","2006","62","11","m3004","m3005","10.1107/S1600536806043832","","","0.71073","MoKα","","0.0752","0.0452","","","0.0859","0.0958","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211182","10.884","0.002","17.578","0.004","11.078","0.002","90","","116.97","0.03","90","","1888.9","0.8","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Adipatobis(2-phenyl-1H-1,3,7,8,-tetraazacyclopenta[l]phenanthrene)manganese(II) dihydrate","","- C44 H36 Mn N8 O6 -","- C44 H36 Mn N8 O6 -","- C88 H72 Mn2 N16 O12 -","2","1","SA2013","Shou-Cai Zhang; Jun Sun; Zhi-Xin Yu; Xiao-Hong Zhao","Adipatobis(2-phenyl-1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene)manganese(II) dihydrate","Acta Crystallographica Section E","2006","62","11","m2893","m2894","10.1107/S1600536806041869","","","0.71073","MoKα","","0.0644","0.043","","","0.0896","0.0975","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211183","16.805","0.002","3.8795","0.0005","18.381","0.002","90","","98.953","0.009","90","","1183.7","0.2","93","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Diphenylperylene-3,4:9,10-bis(dicarboximide)","","- C36 H18 N2 O4 -","- C36 H18 N2 O4 -","- C72 H36 N4 O8 -","2","0.5","SA2014","Sato, Kazuyuki; Mizuguchi, Jin","<i>N</i>,<i>N</i>'-Diphenylperylene-3,4:9,10-bis(dicarboximide)","Acta Crystallographica Section E","2006","62","11","o5008","o5009","10.1107/S1600536806041845","","","1.54187","CuKα","","","0.0552","","","","0.1457","","","","","","0.888","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211184","12.0693","0.0011","13.0368","0.0012","10.4572","0.0009","90","","109.827","0.002","90","","1547.9","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(2,4-Difluorophenyl)-3-(4-methylphenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4] thiadiazine","","- C17 H12 F2 N4 S -","- C17 H12 F2 N4 S -","- C68 H48 F8 N16 S4 -","4","1","SF2004","Li-Xue Zhang; San-Nu Zhou; Jian-Yu Jin; Hong-Ping Xiao; An-Jiang Zhang","6-(2,4-Difluorophenyl)-3-(4-methylphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2006","62","11","o5018","o5019","10.1107/S1600536806040438","","","0.71073","MoKα","","0.0611","0.0486","","","0.1158","0.1225","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211185","3.9221","0.0002","10.9795","0.0008","29.84","0.002","90","","90.299","0.004","90","","1284.97","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E)-3-(1,3-Benzodioxol-5-yl)-1-(4-bromophenyl)prop-2-en-1-one","","- C16 H11 Br O3 -","- C16 H11 Br O3 -","- C64 H44 Br4 O12 -","4","1","SF2007","Harrison, William T. A.; Bindya, S.; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.","(2<i>E</i>)-3-(1,3-Benzodioxol-5-yl)-1-(4-bromophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o5293","o5295","10.1107/S1600536806041547","","","0.71073","MoKα","","0.074","0.0491","","","0.093","0.1038","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211186","14.8103","0.0019","9.3896","0.0016","7.6195","0.0011","90","","104.504","0.01","90","","1025.8","0.3","295.2","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-hydroxymethyl-1-(2',3',4',6'-tetra-O-acetyl-β-D-glucopyranosyl) -1,2,3-triazole","","- C17 H23 N3 O10 -","- C17 H23 N3 O10 -","- C34 H46 N6 O20 -","2","1","SF2008","Brendan L. Wilkinson; Laurent F. Bornaghi; Todd A. Houston; Sally-Ann Poulsen; Alan R. White","4-Hydroxymethyl-1-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)-1,2,3-triazole","Acta Crystallographica Section E","2006","62","11","o5065","o5067","10.1107/S1600536806040864","","","0.71069","MoKα","","0.0628","0.0379","","","0.0984","0.1096","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211187","9.7075","0.0014","10.5271","0.0016","21.65","0.003","90","","90","","90","","2212.5","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3S,5R)-Diphenylmethyl 4,4-dioxo-3-(1,2,3-triazol-1-ylmethyl)-2-penicillanate","","- C23 H22 N4 O5 S -","- C23 H22 N4 O5 S -","- C92 H88 N16 O20 S4 -","4","1","SG2052","Bai, Guo-Yi; Peng, Hong-Wei; Qin, Xin-Ying; Zhang, Yue-Cheng; Zeng, Tao","(2<i>S</i>,3<i>S</i>,5<i>R</i>)-Diphenylmethyl 4,4-dioxo-3-(1,2,3-triazol-1-ylmethyl)-2-penicillanate","Acta Crystallographica Section E","2006","62","11","o4997","o4998","10.1107/S1600536806036981","","","0.7107","MoKα","","0.0417","0.0358","","","0.0816","0.0852","","","","","","0.921","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211188","12.475","0.0011","8.0615","0.0007","15.1166","0.0013","90","","98.69","0.002","90","","1502.8","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{N,N-Bis[(1-methylimidazole-2-yl)methyl]formamide}dichlorozinc(II)","","- C11 H15 Cl2 N5 O Zn -","- C11 H15 Cl2 N5 O Zn -","- C44 H60 Cl8 N20 O4 Zn4 -","4","1","SG2058","Jing-Jia Sun; Shi-Ping Yang","{<i>N</i>,<i>N</i>-Bis[(1-methylimidazole-2-yl)methyl]formamide}dichlorozinc(II)","Acta Crystallographica Section E","2006","62","11","m3144","m3145","10.1107/S1600536806036543","","","0.71073","MoKα","","0.0567","0.0426","","","0.1101","0.1154","","","","","","0.964","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211189","8.4127","0.0018","11.366","0.002","9.859","0.002","90","","90","","90","","942.7","0.3","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","trans-Aquabis(glyoximato-κ^2^N,N')nitrocobalt(III)","","- C4 H8 Co N5 O7 -","- C4 H8 Co N5 O7 -","- C16 H32 Co4 N20 O28 -","4","0.5","SG2064","Rubin-Preminger, Janice M.; Englert, Ulli","<i>trans</i>-Aquabis(glyoximato-κ^2^<i>N</i>,<i>N</i>')nitrocobalt(III)","Acta Crystallographica Section E","2006","62","11","m2972","m2973","10.1107/S1600536806042152","","","0.71073","MoKα","","0.0439","0.038","","","0.0846","0.0887","","","","","","1.078","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211190","8.9479","0.0018","11.096","0.002","17.035","0.004","90","","90","","90","","1691.3","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzyl 2-(2-pyridylaminocarbonyl)pyrrolidine-1-carboxylate","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","SG2065","Long He","(<i>S</i>)-Benzyl 2-(2-pyridylaminocarbonyl)pyrrolidine-1-carboxylate","Acta Crystallographica Section E","2006","62","11","o5070","o5071","10.1107/S1600536806042164","","","0.71073","MoKα","","0.077","0.0387","","","0.0878","0.1051","","","","","","1.092","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211191","12.7476","0.0008","8.4582","0.0005","20.5745","0.0013","90","","100.185","0.001","90","","2183.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-benzoato-bis[benzoatodipyridinemanganese(II)]","","- C48 H40 Mn2 N4 O8 -","- C48 H40 Mn2 N4 O8 -","- C96 H80 Mn4 N8 O16 -","2","0.5","SG2068","Ran, Jing-Wen; Gong, Dao-Jun; Li, Ya-Hong","Di-μ-benzoato-bis[benzoatodipyridinemanganese(II)]","Acta Crystallographica Section E","2006","62","11","m3142","m3143","10.1107/S160053680603947X","","","0.71073","MoKα","","0.0423","0.0311","","","0.0813","0.0865","","","","","","1.214","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211192","18.823","0.002","8.8276","0.0011","7.9658","0.0011","90","","96.244","0.01","90","","1315.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(3-Bromobenzylamino)purin-3-ium chloride","","- C12 H11 Br Cl N5 -","- C12 H11 Br Cl N5 -","- C48 H44 Br4 Cl4 N20 -","4","1","SG2070","Trávníček, Zdeněk; Matiková-Maľarová, Miroslava","6-(3-Bromobenzylamino)purin-3-ium chloride","Acta Crystallographica Section E","2006","62","11","o5097","o5099","10.1107/S1600536806042176","","","0.71073","MoKα","","0.0468","0.0427","","","0.1029","0.1058","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211193","13.6235","0.0007","16.6329","0.0009","23.8071","0.0012","90","","98.3298","0.001","90","","5337.7","0.5","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{μ:κ^2^,κ^2^-6,6'-bis[2-(2-pyridyl)ethyliminomethyl]-2,2'- bipyridine}dicopper(I) bis(hexafluorophosphate)","","- C52 H48 Cu2 F12 N12 P2 -","- C52 H48 Cu2 F12 N12 P2 -","- C208 H192 Cu8 F48 N48 P8 -","4","0.5","SG2072","Kennepohl, Dietmar; Thomas, Angela; McDonald, Robert","Bis{μ:κ^2^,κ^2^-6,6'-bis[2-(2-pyridyl)ethyliminomethyl]-2,2'-bipyridine}dicopper(I) bis(hexafluorophosphate)","Acta Crystallographica Section E","2006","62","11","m2967","m2969","10.1107/S1600536806042310","","","0.71073","MoKα","","0.0558","0.0453","","","0.1217","0.1298","","","","","","1.034","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211194","9.295","0.0001","9.9641","0.0002","19.1575","0.0002","90","","90","","90","","1774.3","0.04","86","2","86","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[Bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-3,5-dinitrobenzamide","","- C13 H16 Br2 N4 O6 -","- C13 H16 Br2 N4 O6 -","- C52 H64 Br8 N16 O24 -","4","1","SG2073","Atwell, Graham; Boyd, Peter D.W.; Denny, William A.; Yang, Shangjin","2-[Bis(2-bromoethyl)amino]-<i>N</i>-(2-hydroxyethyl)-3,5-dinitrobenzamide","Acta Crystallographica Section E","2006","62","11","o5080","o5082","10.1107/S1600536806042188","","","0.71073","MoKα","","0.0167","0.0157","","","0.0377","0.0382","","","","","","1.068","","","","has coordinates,has Fobs","209312","2020-10-21","18:00:00",""
"2211195","13.0297","0.0002","10.0767","0.0002","17.7557","0.0002","90","","97.009","0.001","90","","2313.84","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-Phenylsulfanyl-1-phenylsulfonyl-1H-indol-2yl)methyl benzoate","","- C28 H21 N O4 S2 -","- C28 H21 N O4 S2 -","- C112 H84 N4 O16 S8 -","4","1","SG2075","G. Senthil Kumar; K. Chinnakali; R. Balamurugan; A. K. Mohanakrishnan; Hoong-Kun Fun","(3-Phenylsulfanyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl benzoate","Acta Crystallographica Section E","2006","62","11","o5092","o5094","10.1107/S160053680604219X","","","0.71073","MoKα","","0.0438","0.0332","","","0.088","0.1012","","","","","","1.106","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211196","7.696","0.003","14.729","0.006","16.061","0.006","90","","90","","90","","1820.6","1.2","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Carbendazim napsylate","2-(methoxycarbonylamino)benzimidazolium naphthalene-1-sulfonate","","- C19 H17 N3 O5 S -","- C19 H17 N3 O5 S -","- C76 H68 N12 O20 S4 -","4","1","SJ2109","Sepassi, Kia; Nichol, Gary S.; Yalkowsky, Samuel H.","The napsylate salt of carbendazim: 2-(methoxycarbonylamino)benzimidazolium naphthalene-1-sulfonate","Acta Crystallographica Section E","2006","62","11","o5172","o5173","10.1107/S1600536806035549","","","0.71073","MoKα","","0.0985","0.0635","","","0.1033","0.1139","","","","","","1.057","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211197","9.205","0.0006","9.4362","0.0006","11.5415","0.0007","112.69","0.001","94.296","0.001","114.764","0.001","805.7","0.09","120","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Methylsulfanyl-2,5-diphenyl-1-benzofuran","","- C21 H16 O S -","- C21 H16 O S -","- C42 H32 O2 S2 -","2","1","SJ2122","Choi, Hong Dae; Seo, Pil Ja; Kang, Byoung Won; Son, Byeng Wha; Lee, Uk","3-Methylsulfanyl-2,5-diphenyl-1-benzofuran","Acta Crystallographica Section E","2006","62","11","o4796","o4797","10.1107/S1600536806039596","","","0.71073","MoKα","","0.0538","0.0463","","","0.1084","0.1128","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211198","17.333","0.003","6.9652","0.0014","5.355","0.001","90","","107.926","0.003","90","","615.1","0.2","291","2","291","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","2,2'-(1,4-Butanediyldithio)bis(1,3,4-thiadiazole)","","- C8 H10 N4 S4 -","- C8 H10 N4 S4 -","- C16 H20 N8 S8 -","2","0.25","SJ2129","Lu Wang; Jun Zhang; Bao-Xian Ye; Pu-Zhou Hu; Bang-Tun Zhao","2,2'-(1,4-Butanediyldithio)bis(1,3,4-thiadiazole)","Acta Crystallographica Section E","2006","62","11","o4844","o4846","10.1107/S1600536806039602","","","0.71073","MoKα","","0.0277","0.0276","","","0.0866","0.0866","","","","","","1.097","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211199","7.1676","0.0001","11.1505","0.0002","34.6112","0.0005","90","","90","","90","","2766.21","0.07","100","0.1","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H12 Cl2 O2 -","- C16 H12 Cl2 O2 -","- C128 H96 Cl16 O16 -","8","1","SJ2130","Mohd Mustaqim Rosli; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; Vedavati G. Puranik; S. M. Dharmaprakash","3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o4773","o4774","10.1107/S1600536806039006","","","0.71073","MoKα","","0.0674","0.049","","","0.1079","0.1158","","","","","","1.078","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211200","15.8491","0.0018","9.4801","0.0011","34.707","0.004","90","","90","","90","","5214.8","1","292","2","292","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Diethyl 5,10-dihydro-6-phenylethynyl-4,11-dioxo-<i>cis</i>-1<i>H</i>,3<i>H</i>,\ 4<i>H</i>,11<i>H</i>-2-oxa- 3a,4a,10<i>a</i>,11<i>a</i>-tetraazabenz[<i>f</i>]indeno[2,1,7-ija]azulene-\ 11b,11c-dicarboxylate","","- C28 H26 N4 O7 -","- C28 H26 N4 O7 -","- C224 H208 N32 O56 -","8","2","SJ2132","Yun-Feng Chen; Yan-Fang Cui","Diethyl 5,10-dihydro-6-phenylethynyl-4,11-dioxo-<i>cis</i>-1<i>H</i>,3<i>H</i>,4<i>H</i>,11<i>H</i>-2-oxa-3a,4a,10a,11a-tetraazabenz[<i>f</i>]indeno[2,1,7-<i>ija</i>]azulene-11b,11c-dicarboxylate","Acta Crystallographica Section E","2006","62","11","o4872","o4873","10.1107/S1600536806040256","","","0.71073","MoKα","","0.0753","0.0487","","","0.1271","0.1462","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211201","7.1751","0.0005","8.1457","0.0006","9.8533","0.0007","81.998","0.001","85.12","0.001","85.8","0.001","567.11","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","[2-Methyl-3-methylsulfanyl-1-(benzofuran-5-yl)]acetic acid","","- C12 H12 O3 S -","- C12 H12 O3 S -","- C24 H24 O6 S2 -","2","1","SJ2133","Choi, Hong Dae; Seo, Pil Ja; Kang, Byoung Won; Son, Byeng Wha; Lee, Uk","[2-Methyl-3-methylsulfanyl-1-(benzofuran-5-yl)]acetic acid","Acta Crystallographica Section E","2006","62","11","o4800","o4801","10.1107/S1600536806040013","","","0.71073","MoKα","","0.0345","0.0325","","","0.0815","0.0833","","","","","","0.999","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211202","10.1474","0.0012","12.9395","0.0013","6.2364","0.0007","90","","104.261","0.004","90","","793.62","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Cu2 N3 O5 -","- C3 H5 Cu2 N3 O5 -","- C12 H20 Cu8 N12 O20 -","4","0.5","SJ2134","Yang, E; Zhuang, Rong-Qiang; Chen, Yue-E","μ-Isocyanurato-κ^2^<i>N</i>:<i>N</i>'-bis[aquacopper(I)]","Acta Crystallographica Section E","2006","62","11","m2901","m2903","10.1107/S1600536806040876","","","0.71073","MoKα","","0.0564","0.0503","","","0.1305","0.1376","","","","","","1.129","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211203","14.3397","0.0012","7.6085","0.0006","18.6129","0.0015","90","","108.088","0.001","90","","1930.4","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[cis-diaqua(1,10-phenanthroline-κ^2^N,N')nickel]- μ-5-sulfonatosalicylato-κ^2^O:O']","","- C19 H16 N2 Ni O8 S -","- C19 H16 N2 Ni O8 S -","- C76 H64 N8 Ni4 O32 S4 -","4","1","SJ2135","Zhong-Xiang Du; Min-Le Han; Jian-Ge Wang; Jian-Hua Qin","<i>catena</i>-Poly[[<i>cis</i>-diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ~2~-5-sulfonatosalicylato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","11","m3047","m3048","10.1107/S1600536806041778","","","0.71073","MoKα","","0.0307","0.0256","","","0.0671","0.0702","","","","","","1.038","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211204","11.96","0.002","12.089","0.002","11.044","0.002","90","","102.68","0.03","90","","1557.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","SJ2136","Fang-Fang Jian; Jing Wang","1-[3-(4-Methoxyphenyl)-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2006","62","11","o5303","o5304","10.1107/S1600536806041560","","","0.71073","MoKα","","0.0956","0.0491","","","0.1303","0.1545","","","","","","1.021","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211205","7.2134","0.0011","15.665","0.002","12.5861","0.0018","90","","91.744","0.003","90","","1421.5","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(4-methoxyphenyl)buta-1,3-diyne","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","1","SJ2137","Neng-Fang She; Hui-Zhen Guo; Li-Ping Cao; Meng Gao","1,4-Bis(4-methoxyphenyl)buta-1,3-diyne","Acta Crystallographica Section E","2006","62","11","o4958","o4959","10.1107/S1600536806041535","","","0.71073","MoKα","","0.1074","0.0584","","","0.1408","0.1758","","","","","","0.965","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211206","9.707","0.0005","12.7121","0.0007","16.4203","0.0008","90","","90","","90","","2026.21","0.18","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Chlorohydroxydimethyldihydroquinazolinone","5-Chloro-3-hydroxy-2,2-dimethylquinazolin-4(1H)-one","","- C10 H11 Cl N2 O2 -","- C10 H11 Cl N2 O2 -","- C80 H88 Cl8 N16 O16 -","8","1","SJ2138","Nagarajan Vembu; Elinor C. Spencer; Jean Lee; John G. Kelly; Kevin B. Nolan; Marc Devocelle","5-Chloro-3-hydroxy-2,2-dimethyl-2,3-dihydroquinazolin-4(1<i>H</i>)-one: supramolecular aggregation through a two-dimensional network of N—H···O and O—H···O interactions","Acta Crystallographica Section E","2006","62","11","o5003","o5005","10.1107/S1600536806040852","","","0.71073","MoKα","","0.0543","0.0376","","","0.0962","0.1071","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211207","20.3453","0.001","7.7096","0.0004","17.3224","0.0009","90","","90.52","0.001","90","","2717","0.2","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Au N4 O P S -","- C25 H42 Au N4 O P S -","- C100 H168 Au4 N16 O4 P4 S4 -","4","1","SJ2139","Ho, Soo Yei; Tiekink, Edward R. T.","(6-Mercaptopurinato)(tricyclohexylphosphine)gold(I) ethanol solvate","Acta Crystallographica Section E","2006","62","11","m2855","m2857","10.1107/S1600536806040670","","","0.71069","MoKα","","0.046","0.037","","","0.093","0.11","","","","","","1.09","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211208","31.778","0.002","7.7645","0.0004","15.6227","0.0008","90","","111.33","0.001","90","","3590.7","0.3","173","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl [5-(4-hydroxyphenyl)-3-methylsulfanyl-1-benzofuran-2-yl]acetate","","- C19 H18 O4 S -","- C19 H18 O4 S -","- C152 H144 O32 S8 -","8","1","SJ2141","Choi, Hong Dae; Kang, Byoung Won; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","Ethyl [5-(4-hydroxyphenyl)-3-methylsulfanyl-1-benzofuran-2-yl]acetate","Acta Crystallographica Section E","2006","62","11","o5121","o5122","10.1107/S1600536806042358","","","0.71073","MoKα","","0.0731","0.0625","","","0.1725","0.1859","","","","","","1.065","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211209","8.0084","0.0001","11.8691","0.0002","13.6","0.0002","65.531","0.001","84.118","0.001","88.034","0.001","1170.37","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-benzoyloxymethyl-5-methoxy-1-phenylsulfonyl-1H-indole-3-carboxylate","","- C26 H23 N O7 S -","- C26 H23 N O7 S -","- C52 H46 N2 O14 S2 -","2","1","SJ2142","G. Senthil Kumar; K. Chinnakali; N. Ramesh; A. K. Mohanakrishnan; Hoong-Kun Fun","Ethyl 2-benzoyloxymethyl-5-methoxy-1-phenylsulfonyl-1<i>H</i>-indole-3-carboxylate","Acta Crystallographica Section E","2006","62","11","o4936","o4938","10.1107/S1600536806041572","","","0.71073","MoKα","","0.0641","0.0448","","","0.1133","0.1417","","","","","","1.099","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211210","9.6066","0.0012","9.9919","0.0012","11.4099","0.0014","90","","106.127","0.001","90","","1052.1","0.2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[2-(2-pyridylmethylamino)ethanesulfonato-κ^3^N,N',O]cobalt(II)","","- C16 H22 Co N4 O6 S2 -","- C16 H22 Co N4 O6 S2 -","- C32 H44 Co2 N8 O12 S4 -","2","0.5","SJ2143","Jun-Xia Li; Yi-Min Jiang; Hai-Ye Li","Bis[2-(2-pyridylmethylamino)ethanesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]cobalt(II)","Acta Crystallographica Section E","2006","62","11","m2984","m2986","10.1107/S1600536806042267","","","0.71073","MoKα","","0.0264","0.0232","","","0.0594","0.0613","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211211","11.4577","0.0015","9.2015","0.0013","21.164","0.003","90","","96.621","0.002","90","","2216.4","0.5","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 2,6-diisopropyl-4,8-dioxoperhydro-2,3a,4a,6,7a,8a- hexaazacyclopenta[def]fluorene-8b,8c-dicarboxylate","","- C20 H32 N6 O6 -","- C20 H32 N6 O6 -","- C80 H128 N24 O24 -","4","1","SJ2144","Li, Yi-Tao; Li, Juan","Diethyl 2,6-diisopropyl-4,8-dioxoperhydro-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2006","62","11","o5144","o5145","10.1107/S1600536806042644","","","0.71073","MoKα","","0.0785","0.0635","","","0.1799","0.1973","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211212","9.069","0.004","9.722","0.005","11.943","0.006","92.371","0.014","97.075","0.008","91.242","0.012","1043.7","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","N-(4-Ethyl-7-fluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)- 4-(methylsulfonyl)-2-nitrobenzamide acetonitrile solvate","","- C20 H19 F N4 O7 S -","- C20 H19 F N4 O7 S -","- C40 H38 F2 N8 O14 S2 -","2","1","SJ2145","Huai-Lin Pang; Hai Yang; Du-Lin Yin; Chun-Hui Mao","<i>N</i>-(4-Ethyl-7-fluoro-3-oxo-3,4-dihydro-2<i>H</i>-benzo[<i>b</i>][1,4]oxazin-6-yl)-4-(methylsulfonyl)-2-nitrobenzamide acetonitrile solvate","Acta Crystallographica Section E","2006","62","11","o5165","o5166","10.1107/S160053680604284X","","","0.7107","MoKα","","0.0629","0.0406","","","0.0915","0.102","","","","","","0.946","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211213","8.068","0.002","10.044","0.003","15.158","0.004","76.001","0.004","80.659","0.004","79.932","0.004","1164.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[(5-bromopyridine-3-carboxylato-κ^2^O,O')dibutyltin(IV)]- μ-5-bromopyridine-3-carboxylato-κ^2^O,O':κN]","","- C20 H24 Br2 N2 O4 Sn -","- C20 H24 Br2 N2 O4 Sn -","- C40 H48 Br4 N4 O8 Sn2 -","2","1","TK2080","Zhong-Jun Gao; Reng-Zhou Shi","<i>catena</i>-Poly[[(5-bromopyridine-3-carboxylato-κ^2^<i>O</i>,<i>O</i>')dibutyltin(IV)]-μ-5-bromopyridine-3-carboxylato-κ^2^<i>O</i>,<i>O</i>':κ<i>N</i>]","Acta Crystallographica Section E","2006","62","11","m2995","m2996","10.1107/S1600536806042255","","","0.71073","MoKα","","0.05","0.035","","","0.083","0.091","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211214","11.0896","0.0013","17.421","0.002","12.797","0.0015","90","","98.141","0.002","90","","2447.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[3-cyano-4-((E)-{5-[4-(diethylamino)styryl]thiophen-2-yl}vinyl)-5,5- dimethylfuran-2-(5H)-ylidene]propanedinitrile","","- C28 H26 N4 O S -","- C28 H26 N4 O S -","- C112 H104 N16 O4 S4 -","4","1","TK2081","Kinnibrugh, Tiffany L.; Timofeeva, Tatiana V.; Clot, Olivier; Akelaitis, Andrew; Dalton, Larry R.","A non-linear optical chromophore: 2-[3-cyano-4-((<i>E</i>)-{5-[4-(diethylamino)styryl]thiophen-2-yl}vinyl)-5,5-dimethylfuran-2-(5<i>H</i>)-ylidene]propanedinitrile","Acta Crystallographica Section E","2006","62","11","o4804","o4806","10.1107/S1600536806039754","","","0.71073","MoKα","","0.089","0.054","","","0.114","0.128","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211215","12.742","0.007","20.437","0.011","8.232","0.005","90","","96.155","0.008","90","","2131","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzamido)-N'-5-(2-trifluoromethyl-4-chlorophenyl)-2-furoylthiourea","","- C21 H15 Cl F3 N3 O3 S -","- C21 H15 Cl F3 N3 O3 S -","- C84 H60 Cl4 F12 N12 O12 S4 -","4","1","TK2084","Xue, Si-Jia; Bian, Wang-Dong; Wang, Qing-Dong; Chai, An","<i>N</i>-(4-Methylbenzamido)-<i>N</i>'-5-(2-trifluoromethyl-4-chlorophenyl)-2-furoylthiourea","Acta Crystallographica Section E","2006","62","11","o4842","o4843","10.1107/S1600536806039985","","","0.71073","MoKα","","0.083","0.055","","","0.141","0.161","","","","","","0.97","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211216","7.8231","0.0011","9.0594","0.0013","9.204","0.0013","119.287","0.002","105.764","0.002","98.734","0.002","515.07","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","","(S)-1,4,7-Tris(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane","","- C17 H38 N4 O3 -","- C17 H38 N4 O3 -","- C17 H38 N4 O3 -","1","1","TK2085","Robert C. Luckay","(<i>S</i>)-1,4,7-Tris(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane","Acta Crystallographica Section E","2006","62","11","o5158","o5160","10.1107/S1600536806043030","","","0.71073","MoKα","","0.042","0.04","","","0.086","0.087","","","","","","0.99","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211217","11.6063","0.0007","14.8988","0.0006","19.4799","0.0011","90","","121.552","0.004","90","","2870.5","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 N3 O2 -","- C37 H31 N3 O2 -","- C148 H124 N12 O8 -","4","1","TK2086","Mehmet Akkurt; Sema Öztürk Yıldırım; Rahima Badri; Abdelali Kerbal; Taibi Ben Hadda; Orhan Büyükgüngör","4-<i>p</i>-Anisyl-1,2'-diphenyl-3-<i>p</i>-tolyl-2',3'-dihydrospiro[2-pyrazoline-5,3'-isoquinolin]-4'(1'<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o5022","o5023","10.1107/S1600536806041018","","","0.71073","MoKα","","0.074","0.042","","","0.101","0.112","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211218","12.427","0.002","12.666","0.002","13.894","0.002","96.486","0.002","91.758","0.003","118.402","0.002","1902.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","N,N-(Heptane-2,6-diyl)-N'-(3,4,5-methoxybenzoyl)thiourea","","- C18 H26 N2 O4 S -","- C18 H26 N2 O4 S -","- C72 H104 N8 O16 S4 -","4","2","TK2087","Dillen, Jan; Woldu, Mengistu Ghebreysus; Koch, Klaus R.","<i>N</i>,<i>N</i>-(Heptane-2,6-diyl)-<i>N</i>'-(3,4,5-methoxybenzoyl)thiourea","Acta Crystallographica Section E","2006","62","11","o5225","o5227","10.1107/S1600536806043054","","","0.71073","MoKα","","0.059","0.048","","","0.109","0.115","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211219","12.243","0.004","9.924","0.003","10.002","0.003","90","","90","","90","","1215.2","0.7","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-Acetyl-N',N'-(butane-1,4-diyl)thiourea","","- C10 H18 N2 O S -","- C10 H18 N2 O S -","- C40 H72 N8 O4 S4 -","4","1","TK2088","Dillen, Jan; Woldu, Mengistu Ghebreysus; Koch, Klaus R.","<i>N</i>-Acetyl-<i>N</i>',<i>N</i>'-(butane-1,4-diyl)thiourea","Acta Crystallographica Section E","2006","62","11","o5228","o5229","10.1107/S1600536806043066","","","0.71073","MoKα","","0.044","0.04","","","0.09","0.091","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211220","9.08","0.01","12.7","0.01","13.22","0.01","82.34","0.03","77.43","0.04","81.19","0.04","1462","2","296.1","","","","","","","","","","","5","P -1","-P 1","2","","(Benzene-1,2-diolato-κ^2^N,N')(di-2-pyridylamine-κ^2^N,N')palladium(II) hemihydrate","","- C16 H14 N3 O2.5 Pd -","- C16 H14 N3 O2.5 Pd -","- C64 H56 N12 O10 Pd4 -","4","2","WK2025","Nobuo, Okabe; Yu, Mizubayashi; Mamiko, Odoko","(Benzene-1,2-diolato-κ^2^<i>O</i>,<i>O</i>')(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) hemihydrate","Acta Crystallographica Section E","2006","62","11","m2778","m2780","10.1107/S1600536806039419","","","0.7107","MoKα","","","0.021","","","","0.07","","","","","","1.165","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2211221","9.4659","0.0007","6.6555","0.0005","13.9767","0.001","90","","104.597","0.001","90","","852.11","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[μ~3~-1,3-dithiolane-2-methanol-κ~3~S:S:S'-μ-nitrato-silver(I)]","","- C4 H8 Ag N O4 S2 -","- C4 H8 Ag N O4 S2 -","- C16 H32 Ag4 N4 O16 S8 -","4","1","WK2028","Zhang, Hongming; Gondi, Sudershan R.; Son, David Y.","Poly[μ~3~-1,3-dithiolane-2-methanol-κ^3^<i>S</i>:<i>S</i>:<i>S</i>'-μ-nitrato-silver(I)]","Acta Crystallographica Section E","2006","62","11","m3086","m3088","10.1107/S160053680604339X","","","0.71073","MoKα","","0.036","0.033","","","0.077","0.079","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211222","9.1692","0.0008","10.1164","0.0009","25.36","0.002","90","","91.639","0.002","90","","2351.4","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-5-[2-(2,3-dichloro-phenyl)-3-isopropyl-isoureido] -1H-1,2,3-triazole-4-carboxylic acid ethyl ester","","- C22 H23 Cl2 N5 O3 -","- C22 H23 Cl2 N5 O3 -","- C88 H92 Cl8 N20 O12 -","4","1","WK2029","Wang, Hong-Mei; Zeng, Xiao-Hua; Hu, Zong-Qiu; Li, Gui-Hua; Tian, Jia-Hua","Ethyl 1-benzyl-5-[2-(2,4-dichlorophenyl)-3-isopropylisoureido]-1<i>H</i>-1,2,3-triazole-4-carboxylate","Acta Crystallographica Section E","2006","62","11","o5174","o5175","10.1107/S1600536806043558","","","0.71073","MoKα","","0.1016","0.0651","","","0.176","0.1954","","","","","","1.019","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211223","9.4085","0.0003","7.4402","0.0002","26.7754","0.0007","90","","90","","90","","1874.31","0.09","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4,4'-bis(2-(2-pyridyl)vinyl)biphenyl","4,4'-Bis[2-(2-pyridyl)vinyl]biphenyl","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","0.5","WK2030","Liu, Hui-Jun; Tao, Xu-Tang; Zhao, Hua-Pin; Yu, Wen-Tao; Jiang, Min-Hua","4,4'-Bis[2-(2-pyridyl)vinyl]biphenyl","Acta Crystallographica Section E","2006","62","11","o5319","o5320","10.1107/S1600536806042085","","","0.71073","MoKα","","0.0811","0.0439","","","0.0968","0.1153","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211224","9.209","0.003","10.919","0.003","11.881","0.003","105.733","0.004","105.648","0.004","103.25","0.004","1046.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-chloro-bis{chloro[hydrotris(pyrazol-1- yl)borato)](tetrahydrofuran)ytterbium(III)] toluene solvate","","- C33 H44 B2 Cl4 N12 O2 Yb2 -","- C33 H36 B2 Cl4 N12 O2 Yb2 -","- C33 H36 B2 Cl4 N12 O2 Yb2 -","1","0.5","WM2039","Rabe, Gerd W.; Zhang-Presse, Mei; Riederer, Florian A.; Rheingold, Arnold L.","Di-μ-chloro-bis{chloro[hydrotris(pyrazol-1-yl)borato)](tetrahydrofuran)ytterbium(III)} toluene solvate","Acta Crystallographica Section E","2006","62","11","m3149","m3151","10.1107/S1600536806044096","","","0.71073","MoKα","","0.0418","0.0408","","","0.1031","0.1041","","","","","","1.057","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211225","11.871","0.0004","13.8264","0.0005","14.0267","0.0005","74.64","0.002","75.367","0.002","74.263","0.002","2095.87","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Bis(tetraphenylphosphonium) [octa(μ^3^-chloro)hexakis (trifluoromethanesulfonato)-<i>octahedro</i>-hexamolybdate] dichloromethane/diethylether solvate","","- C59 H52 Cl8 F18 Mo6 O19 P2 S6 -","- C54 H40 Cl8 F18 Mo6 O18 P2 S6 -","- C54 H40 Cl8 F18 Mo6 O18 P2 S6 -","1","0.5","WM2040","Peay, Miya; Updegraff III, James; Gray, Thomas G.","Bis(tetraphenylphosphonium) octa-μ~3~-chloro-hexakis(trifluoromethanesulfonato)-<i>octahedro</i>-hexamolybdate dichloromethane/diethyl ether solvate","Acta Crystallographica Section E","2006","62","11","m2895","m2897","10.1107/S1600536806040517","","","0.71073","MoKα","","0.0394","0.0325","","","0.0925","0.0972","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211226","4.7128","0.0011","4.2221","0.0015","2.8315","0.0007","90","","90","","90","","56.34","0.03","297","2","297","2","","","","","","","","3","P 21 n m","P -2 2ac","31","Aluminum oxide hydroxide","Aluminum oxide hydroxide","","- Al H O2 -","- Al H O2 -","- Al2 H2 O4 -","2","0.5","WM2048","Komatsu, Kazuki; Kuribayashi, Takahiro; Sano, Asami; Ohtani, Eiji; Kudoh, Yasuhiro","Redetermination of the high-pressure modification of AlOOH from single-crystal synchrotron data","Acta Crystallographica Section E","2006","62","11","i216","i218","10.1107/S160053680603916X","","","0.7007","synchrotron","","0.0139","0.0139","","","0.0414","0.0414","","","","","","1.328","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211227","8.4513","0.0016","11.458","0.002","14.026","0.003","90","","90.682","0.004","90","","1358.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-methylimidazolium pentaborate","2-methylimidazolium tetrahydroxohexaoxopentaborate","","- C4 H11 B5 N2 O10 -","- C4 H11 B5 N2 O10 -","- C16 H44 B20 N8 O40 -","4","1","WM2049","Hui-Xxiang Yang; Wen-Juan Zhang; Xia-Li Liu; Zhi-Hong Liu","2-Methylimidazolium tetrahydroxohexaoxopentaborate","Acta Crystallographica, Section E","2006","62","11","o2846","o2848","10.1107/S1600536806040384","","","0.71073","MoKα","","0.0743","0.0492","","","0.1216","0.138","","","","","","1.012","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2211228","9.222","0.0002","18.647","0.0004","15.657","0.0004","90","","95.13","0.001","90","","2681.63","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diiodo-[μ-bis(1-pyridin-2-ylethylidene)ethane-1,2-diamine-κ^2^<i>N</i>,\ <i>N</i>'] -bis[triphenylphosphine-κ<i>P</i>]dicopper(I) acetonitrile disolvate","","- C56 H54 Cu2 I2 N6 P2 -","- C56 H54 Cu2 I2 N6 P2 -","- C112 H108 Cu4 I4 N12 P4 -","2","0.5","WM2052","Aliakbar Dehno Khalajii; Medhi Amirnasr; Richard Welter","{μ-Bis[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}bis[iodo(triphenylphosphine-κ<i>P</i>)copper(I)] acetonitrile disolvate","Acta Crystallographica Section E","2006","62","11","m2950","m2951","10.1107/S1600536806040992","","","0.7107","MoKα","","0.0887","0.0445","","","0.0933","0.1171","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211229","8.359","0.002","5.111","0.001","14.845","0.003","90","","92.62","0.03","90","","633.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","guanidinium hydrogen selenate","Guanidinium hydrogen selenate","","- C H7 N3 O4 Se -","- C H7 N3 O4 Se -","- C4 H28 N12 O16 Se4 -","4","1","WM2053","Fleck, Michel","Guanidinium hydrogen selenate","Acta Crystallographica Section E","2006","62","11","o4939","o4941","10.1107/S1600536806040396","","","0.71073","MoKα","","0.0527","0.0474","","","0.1153","0.1175","","","","","","1.179","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211230","5.4835","0.0002","5.9034","0.0001","7.3624","0.0002","92.116","0.002","103.521","0.0016","99.7984","0.0018","227.612","0.011","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[dihydrazinecadmium(II)]-di-μ-sulfato-κ^2^O:O']","","- Cd H10 N4 O8 S2 -","- Cd H10 N4 O8 S2 -","- Cd H10 N4 O8 S2 -","1","0.5","WM2054","Srinivasan, Krishnan; Govindarajan, Subbaiah; Harrison, William T. A.","<i>catena</i>-Poly[[dihydrazinecadmium(II)]-di-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica, Section E","2006","62","11","m219","m221","10.1107/S1600536806039511","","","0.71073","MoKα","","0.0126","0.0125","","","0.0315","0.0316","","","","","","1.144","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2211231","8.9553","0.0004","18.3506","0.0009","9.8947","0.0005","90","","90","","90","","1626.05","0.14","153","2","153","2","","","","","","","","4","I b a m","-I 2 2c","72","Tetrapotassium barium bis(tetrathiovanadate(V))","Tetrapotassium barium bis(tetrathiovanadate(V))","","- Ba K4 S8 V2 -","- Ba K4 S8 V2 -","- Ba4 K16 S32 V8 -","4","0.25","WM2058","Huang, Fu Qiang; Yao, Jiyong; Ibers, James A.","Tetrapotassium barium bis[tetrathiovanadate(V)], K~4~Ba[VS~4~]~2~","Acta Crystallographica Section E","2006","62","11","i224","i225","10.1107/S160053680604133X","","","0.71073","MoKα","","0.0252","0.0238","","","0.0641","0.0646","","","","","","1.659","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211232","10.3685","0.0008","25.5118","0.0019","10.5823","0.0008","90","","100.091","0.006","90","","2755.9","0.4","120","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","μ-Benzene-1,2,4,5-tetracarboxylato-bis[aquabis(2,2'-bipyridine)cobalt(II)] dodecahydrate","","- C50 H62 Co2 N8 O22 -","- C50 H62 Co2 N8 O22 -","- C100 H124 Co4 N16 O44 -","2","0.5","WN2062","Tabatabaee, Masoumeh; Ghassemzadeh, Mitra; Rezaie, Fatemeh; Khavasi, Hamid Reza; Amini, Mostafa M.","μ-Benzene-1,2,4,5-tetracarboxylato-bis[aquabis(2,2'-bipyridine)cobalt(II)] dodecahydrate","Acta Crystallographica Section E","2006","62","11","m2784","m2785","10.1107/S1600536806039559","","","0.71073","MoKα","","","0.0292","","","","0.0681","","","","","","1.063","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211233","10.5609","0.0014","6.445","0.0009","14.1161","0.0019","90","","110.475","0.002","90","","900.1","0.2","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(4-Chlorophenyl)hydroxymethyl]-5,5-dimethyl-4-phenyl-1,3,2- dioxaphosphorinan-2-one","","- C18 H20 Cl O4 P -","- C18 H20 Cl O4 P -","- C36 H40 Cl2 O8 P2 -","2","1","WN2074","Zuo, Na; He, Hong-Wu","2-[(4-Chlorophenyl)hydroxymethyl]-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinan-2-one","Acta Crystallographica Section E","2006","62","11","o4864","o4865","10.1107/S1600536806039948","","","0.71073","MoKα","","0.0742","0.0543","","","0.1029","0.1124","","","","","","0.985","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211234","15.106","0.003","9.1538","0.0016","8.755","0.0016","90","","101.673","0.003","90","","1185.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,5-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone oxime","","- C10 H8 Cl2 N4 O -","- C10 H8 Cl2 N4 O -","- C40 H32 Cl8 N16 O4 -","4","1","WN2075","Wei Wang; Hao Luo; Sai Bi; Shu-Sheng Zhang","1-(2,5-Dichlorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone oxime","Acta Crystallographica Section E","2006","62","11","o4860","o4861","10.1107/S1600536806039924","","","0.71073","MoKα","","0.0658","0.0504","","","0.11","0.1197","","","","","","1.009","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211235","5.4819","0.0015","10.64","0.003","9.034","0.002","90","","103.9","0.004","90","","511.5","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-(1,3-Dioxoisoindolin-2-yl)propanoic acid","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C22 H18 N2 O8 -","2","1","WN2077","Li, Jian; Liang, Zu-Pei","(<i>S</i>)-2-(1,3-Dioxoisoindolin-2-yl)propanoic acid","Acta Crystallographica Section E","2006","62","11","o4915","o4916","10.1107/S1600536806040323","","","0.71073","MoKα","","0.0459","0.0354","","","0.0824","0.0897","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211236","9.068","0.0009","16.784","0.0009","16.196","0.0016","90","","107.26","0.002","90","","2354","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","10-(2-Bromo-4,5-dimethoxy-benzyl) -7-chloro-5-cyclopropyl-9-methyl-5,10-dihydro-4,5,6,10-tetraaza-dibenzo [<i>a,d</i>]cyclohepten-11-one","","- C24 H22 Br Cl N4 O3 -","- C24 H22 Br Cl N4 O3 -","- C96 H88 Br4 Cl4 N16 O12 -","4","1","WW2048","Sarala, G.; Thimme Gowda, N. R.; Rangappa, K. S.; Sridhar, M. A.; Shashidhara Prasad, J.","10-(2-Bromo-4,5-dimethoxybenzyl)-7-chloro-5-cyclopropyl-9-methyl-5,10-dihydro-4,5,6,10-tetraazadibenzo[<i>a,d</i>]cyclohepten-11-one","Acta Crystallographica Section E","2006","62","11","o5110","o5111","10.1107/S1600536806041079","","","0.71073","MoKα","","0.0741","0.0496","","","0.1365","0.1547","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211237","23.551","0.005","5.5477","0.0011","23.19","0.005","90","","115.22","0.03","90","","2741.1","1.2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C120 H152 N8 O16 -","8","1","WW2057","Zhang, Rui; Gao, Jin-Sheng; Hou, Guang-Feng; Yu, Ying-Hui","2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile","Acta Crystallographica Section E","2006","62","11","o5241","o5243","10.1107/S1600536806043728","","","0.71073","MoKα","","0.0707","0.0433","","","0.1046","0.1172","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211238","6.7203","0.0004","17.0971","0.0011","16.0369","0.0011","90","","94.804","0.004","90","","1836.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cu I N3 S2 -","- C15 H18 Cu I N3 S2 -","- C60 H72 Cu4 I4 N12 S8 -","4","1","XU2132","Le-Qing Fan; Ji-Huai Wu","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')iodocopper(II)","Acta Crystallographica Section E","2006","62","11","m2891","m2892","10.1107/S1600536806040906","","","0.71073","MolybdenumKα","","0.038","0.033","","","0.117","0.125","","","","","","0.945","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211239","3.7654","0.0005","13.9364","0.0018","12.8879","0.0016","90","","93.942","0.002","90","","674.71","0.15","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N4 O6 -","- C12 H12 N4 O6 -","- C24 H24 N8 O12 -","2","0.5","XU2137","Guo-Bing Yan","4,4'-(Ethene-1,2-diyl)dipyridinium dinitrate","Acta Crystallographica Section E","2006","62","11","o4942","o4943","10.1107/S1600536806040712","","","0.71073","MoKα","","0.058","0.04","","","0.108","0.118","","","","","","0.961","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211240","9.1751","0.0002","9.2232","0.0002","16.2613","0.0003","90","","96.223","0.001","90","","1367.98","0.05","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N3 O2 -","- C14 H14 Cl N3 O2 -","- C56 H56 Cl4 N12 O8 -","4","1","XU2138","Long He; Tai-Ran Kang","Ethyl 2-amino-4-(4-chlorophenyl)-6-methylpyrimidine-5-carboxylate","Acta Crystallographica Section E","2006","62","11","o5068","o5069","10.1107/S1600536806040918","","","0.71073","MoKα","","0.033","0.031","","","0.088","0.09","","","","","","0.999","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211241","4.1871","0.0015","14.709","0.005","15.702","0.006","90","","92.086","0.004","90","","966.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(2,6-dichlorobenzylidene)-p-phenylenediamine","","- C20 H12 Cl4 N2 -","- C20 H12 Cl4 N2 -","- C40 H24 Cl8 N4 -","2","0.5","XU2140","Xu, Jun; Bao, Feng-Yu","<i>N</i>,<i>N</i>'-Bis(2,6-dichlorobenzylidene)-<i>p</i>-phenylenediamine","Acta Crystallographica Section E","2006","62","11","o5186","o5187","10.1107/S160053680604267X","","","0.71073","MoKα","","0.047","0.038","","","0.1","0.109","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211242","7.029","0.005","11.649","0.005","11.541","0.005","90","","102.143","0.005","90","","923.8","0.9","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","catena-Poly[[[tetraaquacadmium(II)]-μ-4,4'-bipyridine-κ^2^N:N'] benzene-1,4-dicarboxylate]","","- C18 H20 Cd N2 O8 -","- C18 H20 Cd N2 O8 -","- C36 H40 Cd2 N4 O16 -","2","0.5","XU2141","Ya-Ru Pan; Li-Bin Wang; Pei-Ying Zhan; Yan-Ling Niu; Gao-Quan Zhang","<i>catena</i>-Poly[[[tetraaquacadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] benzene-1,4-dicarboxylate]","Acta Crystallographica Section E","2006","62","11","m3034","m3035","10.1107/S160053680604270X","","","0.71069","MoKα","","0.034","0.028","","","0.058","0.06","","","","","","1.052","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211243","18.619","0.003","21.447","0.004","4.8779","0.0009","90","","90","","90","","1947.9","0.6","295","2","295","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","(E)-2,4-dichloro-6-[(2-hydroxyethyliminio)methyl]phenolate","","- C9 H9 Cl2 N O2 -","- C9 H9 Cl2 N O2 -","- C72 H72 Cl16 N8 O16 -","8","","YA2024","Ling Huang; Ding-Ben Chen; Duan Qiu; Bo Zhao","(<i>E</i>)-2,4-Dichloro-6-[(2-hydroxyethyliminio)methyl]phenolate","Acta Crystallographica Section E","2006","62","11","o5239","o5240","10.1107/S1600536806043716","","","0.71073","MoKα","","0.031","0.03","","","0.072","0.073","","","","","","1.05","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2211244","10.656","0.002","19.538","0.005","7.816","0.0015","90","","105.624","0.003","90","","1567.1","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,6-Bis(2-pyridylamino)pyridinium perchlorate","","- C15 H14 Cl N5 O4 -","- C15 H14 Cl N5 O4 -","- C60 H56 Cl4 N20 O16 -","4","0.5","YA2027","Guo-Bing Yan","2,6-Bis(2-pyridylamino)pyridinium perchlorate","Acta Crystallographica Section E","2006","62","11","o5296","o5297","10.1107/S1600536806043984","","","0.71073","MoKα","","0.065","0.051","","","0.147","0.158","","","","","","0.91","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211245","3.859","0.0007","22.669","0.004","9.922","0.0017","90","","97.972","0.003","90","","859.6","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","pyridine-2,6-dicarbohydrazide","","- C7 H9 N5 O2 -","- C7 H9 N5 O2 -","- C28 H36 N20 O8 -","4","1","YM2019","Bing Jia; Zong-Qiu Hu; Xiao-Tao Deng; Cui-Xia Cheng; Shao-Min Shi","Pyridine-2,6-dicarbohydrazide","Acta Crystallographica Section E","2006","62","11","o4902","o4903","10.1107/S1600536806041432","","","0.71073","MoKα","","0.0573","0.0447","","","0.1149","0.1226","","","","","","0.973","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211246","7.5357","0.0007","11.7504","0.0012","19.4596","0.0019","90","","98.776","0.002","90","","1702.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[triaquasulfatozinc(II)]-μ-4,4'-bipyridine] ethane-1,2-diol solvate]","","- C12 H20 N2 O9 S Zn -","- C12 H20 N2 O9 S Zn -","- C48 H80 N8 O36 S4 Zn4 -","4","1","YM2020","Wen-Jie Lu; Yi-Min Zhu; Kai-Long Zhong","<i>catena</i>-Poly[[[triaquasulfatozinc(II)]-μ-4,4'-bipyridine] ethane-1,2-diol solvate]","Acta Crystallographica Section E","2006","62","11","m3036","m3038","10.1107/S1600536806042784","","","0.71073","MoKα","","0.0296","0.0257","","","0.0646","0.0681","","","","","","1.059","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211247","9.9386","0.001","13.2986","0.0015","34.655","0.004","90","","90","","90","","4580.3","0.9","115","","115","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H51 Cu I N5 P2 S -","- C48 H51 Cu I N5 P2 S -","- C192 H204 Cu4 I4 N20 P8 S4 -","4","1","YM2025","Venkatraman, Ramaiyer; Sitole, Lungile; Wilson, Montica R.; Fronczek, Frank R.","(1-Cyclopentano-4-ethyl-3-thiosemicarbazone)iodobis(triphenylphosphino)copper(I) acetonitrile disolvate","Acta Crystallographica Section E","2006","62","11","m2992","m2994","10.1107/S1600536806040232","","","0.71073","MoKα","","0.036","0.03","","","0.065","0.068","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211248","11.2807","0.0004","13.9968","0.0005","16.7612","0.0006","90","","90","","90","","2646.49","0.16","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Butyl-quinolinium Iodide","","- C13 H16 I N -","- C13 H16 I N -","- C104 H128 I8 N8 -","8","1","YM2028","Zhong, Chong-Min; Zuo, Ya-Jie; Jin, Hua-Shu; Liu, Shuang-Quan; Wang, Tian-Chi","1-Butylquinolinium iodide","Acta Crystallographica Section E","2006","62","11","o5050","o5051","10.1107/S1600536806041225","","","0.71073","MoKα","","0.0338","0.0223","","","0.0513","0.056","","","","","","1.017","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211249","11.7863","0.0009","12.2482","0.0009","12.8201","0.001","95.077","0.001","107.637","0.001","109.768","0.001","1621.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(2,6-diphenylpiperidine)ethan-1-ol","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","2","AT2131","D. Gayathri; D. Velmurugan; K. Ravikumar; E. Poonguzhali; H. Surya Prakash Rao","2-(2,6-Diphenylpiperidin-1-yl)ethanol","Acta Crystallographica Section E","2006","62","12","o5390","o5392","10.1107/S160053680604356X","","","0.71073","MoKα","","0.0744","0.0565","","","0.158","0.1732","","","","","","1.034","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211251","13.192","0.002","8.4397","0.0016","14.673","0.003","90","","94.99","0.003","90","","1627.4","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[2-(2,4-Dinitrophenoxy)ethoxy]-3-methoxybenzaldehyde","","- C16 H14 N2 O8 -","- C16 H14 N2 O8 -","- C64 H56 N8 O32 -","4","1","AT2142","Diao, Chun-Hua; Yu, Ming","2-[2-(2,4-Dinitrophenoxy)ethoxy]-3-methoxybenzaldehyde","Acta Crystallographica Section E","2006","62","12","o5404","o5405","10.1107/S1600536806045739","","","0.71073","MoKα","","0.0835","0.0426","","","0.0997","0.1191","","","","","","1.021","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211252","12.4828","0.0003","5.2252","0.0001","15.2252","0.0004","90","","98.057","0.001","90","","983.26","0.04","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Diaquabis(isoquinoline-1-carboxylato-κN,O)manganese(II) dihydrate","","- C20 H20 Mn N2 O8 -","- C20 H20 Mn N2 O8 -","- C40 H40 Mn2 N4 O16 -","2","0.5","AT2143","Yuan, Wen-Bing; Liu, Ming; Wu, Shan-Shan; Wang, Hai-Yang; Zhang, Qi","<i>trans</i>-Diaquabis(isoquinoline-1-carboxylato-κ^2^<i>N</i>,<i>O</i>)manganese(II) dihydrate","Acta Crystallographica Section E","2006","62","12","m3215","m3216","10.1107/S1600536806045661","","","0.71073","MoKα","","0.0231","0.0224","","","0.066","0.0665","","","","","","0.981","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211253","10.228","0.002","10.599","0.003","14.095","0.003","86.469","0.005","86.684","0.007","61.745","0.004","1342.7","0.5","168","2","168","2","","","","","","","","6","P -1","-P 1","2","","Dichlorobis(2,5-diphenyl-1,3,4-thiadiazole-κN^3^)palladium","","- C28 H20 Cl2 N4 Pd S2 -","- C28 H20 Cl2 N4 Pd S2 -","- C56 H40 Cl4 N8 Pd2 S4 -","2","1","AT2144","Steel, Peter J.; Richardson, Chris","Dichlorobis(2,5-diphenyl-1,3,4-thiadiazole-κ<i>N</i>^3^)palladium(II)","Acta Crystallographica Section E","2006","62","12","m3210","m3212","10.1107/S1600536806045703","","","0.71073","MoKα","","0.0512","0.0309","","","0.0722","0.0775","","","","","","0.96","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211254","7.421","0.002","9.629","0.002","13.144","0.004","68.962","0.005","85.274","0.004","71.978","0.005","833.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Methylphenylsulfonyl)-5-nitro-2-[(E)-prop-1-enyl]-1H-benzimidazole","","- C17 H15 N3 O4 S -","- C17 H15 N3 O4 S -","- C34 H30 N6 O8 S2 -","2","1","AT2145","Rashid, Naghmana; Hasan, Mashooda; Yusof, Nurdiyana M.; Yamin, Bohari M.","1-(4-Methylphenylsulfonyl)-5-nitro-2-[(<i>E</i>)-prop-1-enyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2006","62","12","o5455","o5456","10.1107/S1600536806045892","","","0.71073","MoKα","","0.125","0.088","","","0.206","0.221","","","","","","1.17","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211255","7.4001","0.0009","12.9986","0.0013","18.86","0.002","90","","90","","90","","1814.2","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","IFB-Lactam-1","2,15-dihydroxy-7-methyl-6-azabicyclo[11.3.0]hexadec-3-en-5-one","","- C16 H27 N O3 -","- C16 H27 N O3 -","- C64 H108 N4 O12 -","4","1","AT2146","Hu, Shen-Cai; Mei, Li; Wang, Ji-Gang; Liu, Chang-Hong","IFB-Lactam-1, a natural compound with anti-Gloeosporium kaki Hori activity","Acta Crystallographica Section E","2006","62","12","o5777","o5778","10.1107/S1600536806049191","","","0.71073","MoKα","","0.0947","0.0737","","","0.2253","0.239","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211256","7.0178","0.0012","8.6945","0.0015","10.4753","0.0018","112.469","0.002","90.395","0.002","106.127","0.002","562.78","0.17","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","4,4'-Bipyridinium diaquabis(pyridine-2,5-dicarboxylato-κ^2^N,O^2^)zinc(II)","","- C24 H20 N4 O10 Zn -","- C24 H20 N4 O10 Zn -","- C24 H20 N4 O10 Zn -","1","0.5","AT2147","Hui, Wang; Ming-Xing Li; Ming, Shao; Xiang, He","4,4'-Bipyridinium diaquabis(pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)zincate(II)","Acta Crystallographica Section E","2006","62","12","m3309","m3311","10.1107/S1600536806047015","","","0.71073","MoKα","","0.0243","0.0234","","","0.0623","0.063","","","","","","1.061","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211257","12.454","0.003","11.163","0.002","14.923","0.003","90","","103.82","0.03","90","","2014.6","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N'-[3-Ethoxy-4-(4-nitrobenzyloxy)benzylidene]isonicotinohydrazide","","- C22 H20 N4 O5 -","- C22 H20 N4 O5 -","- C88 H80 N16 O20 -","4","1","AT2148","Zhang, Qiao-Zhen; Zhao, Yan-Li; Chen, Xin; Yu, Ming","(<i>E</i>)-<i>N</i>'-[3-Ethoxy-4-(4-nitrobenzyloxy)benzylidene]isonicotinohydrazide","Acta Crystallographica Section E","2006","62","12","o5432","o5433","10.1107/S1600536806046113","","","0.71073","MoKα","","0.0857","0.0571","","","0.1429","0.1614","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211258","18.615","0.004","15.609","0.004","12.22","0.003","90","","116.187","0.004","90","","3186.2","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,17-Dibenzoyl-25,26,27,28-tetrahydroxycalix[4]arene","","- C42 H32 O6 -","- C42 H32 O6 -","- C168 H128 O24 -","4","0.5","AT2150","Yang, Yong; Li, En-Chao; Chen, Feng-Xiang; Peng, Cheng; Shi, Xian-Fa","5,17-Dibenzoyl-25,26,27,28-tetrahydroxycalix[4]arene","Acta Crystallographica Section E","2006","62","12","o5563","o5564","10.1107/S1600536806046691","","","0.71073","MoKα","","0.1481","0.0646","","","0.1418","0.1744","","","","","","0.904","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211259","10.0442","0.0017","9.7562","0.0017","14.443","0.002","90","","90.254","0.003","90","","1415.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(1H-Benzotriazol-1-yl)-1-(4-methoxyphenyl)propan-1-one","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","AT2151","Wu-Lan Zeng; Sai Bi; Hua Zhong; Jun Wan","3-(1<i>H</i>-Benzotriazol-1-yl)-1-(3-methoxyphenyl)propan-1-one","Acta Crystallographica Section E","2006","62","12","o5801","o5802","10.1107/S1600536806046654","","","0.71073","MoKα","","0.0621","0.0421","","","0.1048","0.117","","","","","","1.028","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2211260","37.27","0.006","8.5936","0.0013","14.431","0.002","90","","108.436","0.005","90","","4384.8","1.2","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-2-Methoxy-N'-[4-(4-Nitrobenzyloxy)-3-methoxybenzylidene]benzohydrazide monohydrate","","- C23 H23 N3 O7 -","- C23 H23 N3 O7 -","- C184 H184 N24 O56 -","8","1","AT2152","Diao, Chun-Hua; Yu, Ming","(<i>E</i>)-2-Methoxy-<i>N</i>'-[3-methoxy-4-(4-nitrobenzyloxy)benzylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2006","62","12","o5497","o5498","10.1107/S1600536806046666","","","0.71073","MoKα","","0.1119","0.0601","","","0.1463","0.1813","","","","","","1.012","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211261","7.9106","0.0016","8.6824","0.0017","19.266","0.004","87.61","0.03","80.12","0.03","81.39","0.03","1288.8","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-Methoxy-N'-[4-methoxy-3-(4- methylbenzenesulfonyloxy)benzylidene]benzohydrazide ethanol solvate hemihydrate","","- C25 H29 N2 O7.5 S -","- C25 H29 N2 O7.5 S -","- C50 H58 N4 O15 S2 -","2","1","AT2153","Chen, Xin; Yu, Ming","(<i>E</i>)-2-Methoxy-<i>N</i>'-[4-methoxy-3-(4-methylphenylsulfonyloxy)benzylidene]benzohydrazide ethanol solvate hemihydrate","Acta Crystallographica Section E","2006","62","12","o5503","o5504","10.1107/S1600536806046708","","","0.71073","MoKα","","0.0771","0.0597","","","0.1697","0.1893","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211262","7.6366","0.0009","10.6475","0.0012","12.8267","0.0014","69.167","0.002","76.885","0.002","74.118","0.002","927.76","0.18","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxybenzylidene)-2-(4-morpholino)-1-phenyl-1H-imidazol-5(4H)-one","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C42 H42 N6 O6 -","2","1","AT2154","Yong Sun","4-(4-Methoxybenzylidene)-2-(4-morpholino)-1-phenyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5684","o5685","10.1107/S1600536806047234","","","0.71073","MoKα","","0.0603","0.0492","","","0.1269","0.1344","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211263","7.8965","0.0017","26.12","0.006","20.139","0.004","90","","96.355","0.004","90","","4128.3","1.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N'-[3-Methoxy-2-(2-nitrobenzyloxy)benzylidene]isonicotinohydrazide","","- C21 H18 N4 O5 -","- C21 H18 N4 O5 -","- C168 H144 N32 O40 -","8","2","AT2155","Han, Jian-Rong; Zhen, Xiao-Li; Tian, Xia; Liu, Shou-Xin","(<i>E</i>)-<i>N</i>'-[3-Methoxy-2-(2-nitrobenzyloxy)benzylidene]isonicotinohydrazide","Acta Crystallographica Section E","2006","62","12","o5570","o5571","10.1107/S1600536806047246","","","0.71073","MoKα","","0.1805","0.0571","","","0.0974","0.1294","","","","","","1.006","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211264","10.3578","0.0006","10.3578","0.0006","25.651","0.003","90","","90","","90","","2751.9","0.4","295","2","295","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Bis[2-hydroxy-N'-(2-methoxybenzylidene)benzohydrazide]zinc(II)","","- C30 H26 N4 O6 Zn -","- C30 H26 N4 O6 Zn -","- C120 H104 N16 O24 Zn4 -","4","0.5","AT2156","Yu, Zong-Xue; Qi, Jun-Sheng; Liang, Ke-Zhong; Sun, Yu-Xi","Bis[2-hydroxy-<i>N</i>'-(2-methoxybenzylidene)benzohydrazidato]zinc(II)","Acta Crystallographica Section E","2006","62","12","m3284","m3286","10.1107/S1600536806046745","","","0.71073","MoKα","","0.0391","0.0374","","","0.1031","0.1046","","","","","","1.143","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211265","13.764","0.003","8.2793","0.0017","14.218","0.003","90","","97.24","0.03","90","","1607.3","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[diaqua(1,10-phenanthroline-κ^2^N,N')manganese(II)]- μ-acetylenedicarboxylato-κ^2^O:O']","","- C16 H12 Mn N2 O6 -","- C16 H12 Mn N2 O6 -","- C64 H48 Mn4 N8 O24 -","4","1","AT2157","Wang, Huan-Yu; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-acetylenedicarboxylato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","12","m3281","m3283","10.1107/S1600536806046733","","","0.71073","MoKα","","0.0299","0.0262","","","0.0729","0.0752","","","","","","1.079","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211266","21.891","0.004","5.1073","0.0008","35.918","0.006","90","","107.291","0.007","90","","3834.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-1-[2-(Benzylsulfanyl)phenyldiazenyl]-4-methoxynaphthalene","","- C24 H20 N2 O S -","- C24 H20 N2 O S -","- C192 H160 N16 O8 S8 -","8","1","AT2158","Das, Purak; Biswas, Achintesh Narayan; Neogi, Debatra Narayan; Bhawmick, Rupa; Bandyopadhyay, Pinaki","(<i>E</i>)-1-[2-(Benzylsulfanyl)phenyldiazenyl]-4-methoxynaphthalene","Acta Crystallographica Section E","2006","62","12","o5536","o5538","10.1107/S160053680604671X","","","0.71073","MoKα","","0.1014","0.0552","","","0.0808","0.0941","","","","","","0.993","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211267","4.6665","0.0005","10.5576","0.0011","17.9978","0.0018","90","","92.299","0.002","90","","885.98","0.16","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,2',4'-Trichloroacetophenone","Chloromethyl 2,4-dichlorophenyl ketone","","- C8 H5 Cl3 O -","- C8 H5 Cl3 O -","- C32 H20 Cl12 O4 -","4","1","AT2159","Kai-Huang Zou; Li-Xue Zhang; Kang Zhang; An-Jiang Zhang; Jian-Yu Jin","2,2',4'-Trichloroacetophenone","Acta Crystallographica Section E","2006","62","12","o5549","o5550","10.1107/S1600536806046721","","","0.71073","MoKα","","0.0626","0.054","","","0.1121","0.1163","","","","","","1.149","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211268","7.787","0.007","8.75","0.007","11.083","0.01","95.956","0.015","99.931","0.014","102.64","0.013","717.9","1.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","4-Formyl-2-methoxyphenyl 4-methylbenzenesulfonate","","- C15 H14 O5 S -","- C15 H14 O5 S -","- C30 H28 O10 S2 -","2","1","AT2161","Chen, Xin; Yu, Ming","4-Formyl-2-methoxyphenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2006","62","12","o5775","o5776","10.1107/S1600536806049221","","","0.71073","MoKα","","0.0824","0.0572","","","0.1639","0.1963","","","","","","1.084","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211269","9.1655","0.0008","5.8452","0.0005","10.5282","0.0009","90","","106.563","0.004","90","","540.64","0.08","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2-O-Isopropylidene-6-thio-α-D-glucofuranose","","- C9 H16 O5 S -","- C9 H16 O5 S -","- C18 H32 O10 S2 -","2","1","AT2162","Luboradzki, Roman; Pakulski, Zbigniew; Piekutowska, Marta","1,2-<i>O</i>-Isopropylidene-6-thio-α-<small>D</small>-glucofuranose","Acta Crystallographica Section E","2006","62","12","o5832","o5833","10.1107/S1600536806049634","","","0.71073","MoKα","","0.0658","0.0515","","","0.1044","0.1303","","","","","","1.073","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211270","6.1838","0.001","8.4685","0.0014","16.608","0.002","95.273","0.007","96.009","0.008","105.084","0.014","828.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-benzyl-1-(3-nitrophenylsulfonyl)-1H-pyrazol-5-amine","","- C16 H14 N4 O4 S -","- C16 H14 N4 O4 S -","- C32 H28 N8 O8 S2 -","2","1","AT2163","Tong Bai; Yun-Fei Du","3-Benzyl-1-(3-nitrophenylsulfonyl)-1<i>H</i>-pyrazol-5-amine","Acta Crystallographica Section E","2006","62","12","o5901","o5902","10.1107/S1600536806049622","","","0.7107","MoKα","","0.0923","0.061","","","0.165","0.2393","","","","","","1","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211271","6.758","0.0005","26.754","0.0019","18.524","0.0013","90","","99.62","0.001","90","","3302.1","0.4","298","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(3-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Cl N3 O -","- C18 H16 Cl N3 O -","- C144 H128 Cl8 N24 O8 -","8","2","AT2164","Sun, Yu-Xi","4-(3-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5845","o5847","10.1107/S1600536806049610","","","0.71073","MoKα","","0.1015","0.0605","","","0.1367","0.1568","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211272","6.852","0.0005","16.8891","0.0013","27.204","0.002","90","","90","","90","","3148.2","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(3,4-Dihydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C144 H136 N24 O24 -","8","1","AT2165","Sun, Yu-Xi","4-(3,4-Dihydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5860","o5861","10.1107/S1600536806049658","","","0.71073","MoKα","","0.1073","0.0608","","","0.1211","0.1406","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211273","11.395","0.014","5.045","0.003","17.698","0.019","90","","115.445","0.003","90","","918.7","1.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-phenylsulfonyl-1H-1,2-4-triazole","","- C8 H7 N3 O2 S -","- C8 H7 N3 O2 S -","- C32 H28 N12 O8 S4 -","4","1","AT2166","Naveen, S.; Benaka Prasad, S. B.; Sridhar, M. A.; Shashidhara Prasad, J.; Rangappa, K. S.","1-Phenylsulfonyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2006","62","12","o5893","o5895","10.1107/S1600536806049646","","","0.71073","MoKα","","0.0524","0.0447","","","0.1178","0.1251","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211274","11.809","0.003","11.243","0.003","12.933","0.003","90","","108.712","0.005","90","","1626.3","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-Poly[[bis(O,O'-diisopropyl dithiophosphato-κ^2^S,S')zinc(II)]- μ-1,2-bis(3-pyridylmethylene)hydrazine-κ^2^N:N']","","- C24 H38 N4 O4 P2 S4 Zn -","- C24 H38 N4 O4 P2 S4 Zn -","- C48 H76 N8 O8 P4 S8 Zn2 -","2","0.5","AT2170","Avila, Vanessa; Tiekink, Edward R. T.","<i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')zinc(II)]-μ-1,2-bis(3-pyridylmethylene)hydrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2006","62","12","m3530","m3531","10.1107/S160053680605001X","","","0.7107","MoKα","","0.045","0.044","","","0.108","0.109","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211275","9.355","0.003","10.335","0.003","10.781","0.003","90","","91.106","0.006","90","","1042.2","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4-Dimethyl-4,5-dihydro-1H-1,5-benzodiazepin-2(3H)-one","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C44 H56 N8 O4 -","4","1","AT2171","Rashid, Naghmana; Hasan, Mashooda; Yusof, Nurdiyana M.; Yamin, Bohari M.","4,4-Dimethyl-4,5-dihydro-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5887","o5888","10.1107/S1600536806050057","","","0.71073","MoKα","","0.05","0.038","","","0.093","0.1","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211276","19.63","0.004","5.1128","0.0008","17.326","0.004","90","","114.17","0.02","90","","1586.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-Hydroxyphenyl)-N'-phenethylsuccinamide","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","BG2011","Konovalova, Irina S.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Lipson, Victoria V.; Gubarevich, I. G.; Kustova, S. P.; Boiko, M. A.","<i>N</i>-(2-Hydroxyphenyl)-<i>N</i>'-phenethylsuccinamide","Acta Crystallographica Section E","2006","62","12","o5475","o5476","10.1107/S1600536806046010","","","0.71073","MoKα","","0.055","0.035","","","0.089","0.094","","","","","","0.981","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211277","6.7889","0.0014","7.5799","0.0015","10.255","0.002","72.49","0.03","83.48","0.03","70.51","0.03","474.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis(2-ammonioethyl)oxamide diaquabis(oxalato-κ^2^O,O')copper(II) dihydrate","","- C10 H24 Cu N4 O14 -","- C10 H24 Cu N4 O14 -","- C10 H24 Cu N4 O14 -","1","0.5","BG2014","Chun-Yuan Zhu; Yan-Tuan Li; Zhi-Yong Wu; Wei Sun","<i>N</i>,<i>N</i>'-Bis(2-ammonioethyl)oxamide diaquabis(oxalato-κ^2^<i>O</i>,<i>O</i>')cuprate(II) dihydrate","Acta Crystallographica Section E","2006","62","12","m3585","m3587","10.1107/S1600536806050434","","","0.71073","MoKα","","0.0417","0.0373","","","0.0969","0.1005","","","","","","1.065","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211278","7.1513","0.0008","9.3637","0.0014","9.6271","0.0012","78.712","0.016","81.427","0.015","68.269","0.015","585.18","0.15","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","Bis(1,10-phenanthroline-5,6-dione) diaminoglyoxime","","- C26 H18 N8 O6 -","- C26 H18 N8 O6 -","- C26 H18 N8 O6 -","1","0.5","BH2052","Deshpande, Megha S.; Näther, Christian; Bensch, Wolfgang; Kumbhar, Avinash S.","Bis(1,10-phenanthroline-5,6-dione) diaminoglyoxime","Acta Crystallographica Section E","2006","62","12","o5910","o5912","10.1107/S1600536806049397","","","0.71073","MoKα","","0.0716","0.0476","","","0.1237","0.1363","","","","","","0.977","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211279","7.9402","0.0016","10.5702","0.001","16.545","0.006","90","","95.65","0.02","90","","1381.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[5-(Cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol","","- C14 H17 N3 O S -","- C14 H17 N3 O S -","- C56 H68 N12 O4 S4 -","4","1","BH2055","Seena, E. B.; Prathapachandra Kurup, M. R.","2-[5-(Cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol","Acta Crystallographica Section E","2006","62","12","o5627","o5629","10.1107/S1600536806046988","","","0.71073","MoKα","","0.0672","0.0456","","","0.1022","0.1124","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211280","9.0948","0.0009","12.9794","0.0013","35.07","0.003","90","","90","","90","","4139.8","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2-Formyl-6-methoxyphenolato-κ^2^O,O')-cis-dimethyl-trans- bis(trimethylphosphine-κP)cobalt(III)","","- C16 H31 Co O3 P2 -","- C16 H31 Co O3 P2 -","- C128 H248 Co8 O24 P16 -","8","2","BH2057","Zhou, Jin; Fang, Shi-Min; Sun, Hong-Jian; Li, Xiao-Yan","(2-Formyl-6-methoxyphenolato-κ^2^<i>O</i>,<i>O</i>')-<i>cis</i>-dimethyl-<i>trans</i>-bis(trimethylphosphine-κ<i>P</i>)cobalt(III)","Acta Crystallographica Section E","2006","62","12","m3451","m3452","10.1107/S1600536806048860","","","0.71073","MoKα","","0.079","0.0419","","","0.0899","0.1094","","","","","","0.972","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211281","14.1908","0.0016","14.1908","0.0016","13.76","0.003","90","","90","","90","","2771","0.7","292","2","292","2","","","","","","","","5","P 41","P 4w","76","","Ethyl {4-[5-(3-methylphenyl)-3-methylsulfanyl-4-oxo-1- phenylpyrazolo[3,4-d]pyrimidin-6-yloxy]phenoxy}acetate","","- C29 H26 N4 O5 S -","- C29 H26 N4 O5 S -","- C116 H104 N16 O20 S4 -","4","1","BH2058","Liu, Hui; Wang, Hong-Qing; Liu, Zhao-Jie","Ethyl {4-[5-(3-methylphenyl)-3-methylsulfanyl-4-oxo-1-phenylpyrazolo[3,4-<i>d</i>]pyrimidin-6-yloxy]phenoxy}acetate","Acta Crystallographica Section E","2006","62","12","o5459","o5461","10.1107/S1600536806046083","","","0.71073","MoKα","","0.1101","0.0628","","","0.1592","0.1851","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","201974","2020-10-21","18:00:00",""
"2211282","11.142","0.004","12.562","0.005","13.848","0.005","72.191","0.006","84.891","0.007","68.143","0.007","1712","1.1","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","1,4-Bis[4-(di-p-tolylamino)benzyl]-2,3-diaza-1,3-butadiene","","- C42 H38 N4 -","- C42 H38 N4 -","- C84 H76 N8 -","2","1","BH2059","Zhou, Dan; Zhou, Bin; Zhang, Jia-Xin; Zhao, Bing","1,4-Bis[4-(di-<i>p</i>-tolylamino)benzyl]-2,3-diaza-1,3-butadiene","Acta Crystallographica Section E","2006","62","12","o5594","o5595","10.1107/S1600536806047155","","","0.71073","MoKα","","0.1222","0.0503","","","0.0988","0.1241","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211283","5.029","0.001","23.674","0.005","5.255","0.0011","90","","93.56","0.03","90","","624.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl N,N'-(hexane-1,6-diyl)dicarbamate","","- C10 H20 N2 O4 -","- C10 H20 N2 O4 -","- C20 H40 N4 O8 -","2","0.5","BH2060","Hai-Tao Zhang; Jing-Kang Wang; Ying Chen; Lina Zhou","Dimethyl <i>N</i>,<i>N</i>'-(hexane-1,6-diyl)dicarbamate","Acta Crystallographica Section E","2006","62","12","o5673","o5674","10.1107/S1600536806048884","","","0.71073","MoKα","","0.0638","0.0456","","","0.114","0.1266","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211284","8.35","0.004","4.5282","0.0019","15.37","0.007","90","","103.118","0.006","90","","566","0.4","298","2","298","2","","","","","","","","5","P 1 n 1","P -2yac","7","","1,2-Bis(chloromethyl)-4,5-dimethyl-3-nitrobenzene","","- C10 H11 Cl2 N O2 -","- C10 H11 Cl2 N O2 -","- C20 H22 Cl4 N2 O4 -","2","1","BH2063","Chen, Yun-Feng; Cao, Li-Ping; Qin, Jing","1,2-Bis(chloromethyl)-4,5-dimethyl-3-nitrobenzene","Acta Crystallographica Section E","2006","62","12","o5724","o5725","10.1107/S1600536806048902","","","0.71073","MoKα","","0.0891","0.0601","","","0.1366","0.1505","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211285","15.819","0.004","20.899","0.005","9.994","0.002","90","","117.307","0.004","90","","2935.8","1.2","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Methyl 3-[(E)-2-(4-bromobenzoylmethylidene)imidazolidin-1-yl]acrylate","","- C15 H15 Br N2 O3 -","- C15 H15 Br N2 O3 -","- C120 H120 Br8 N16 O24 -","8","2","BI2079","Yu, Chu-Yi; Gao, Hong-Yun; Qiao, Yan","Methyl 3-[(<i>E</i>)-2-(4-bromobenzoylmethylidene)imidazolidin-1-yl]acrylate","Acta Crystallographica Section E","2006","62","12","o5443","o5444","10.1107/S1600536806046101","","","0.71073","MoKα","","0.0982","0.0411","","","0.0766","0.0932","","","","","","0.967","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211286","6.2754","0.0003","13.0604","0.0005","13.6268","0.0006","117.208","0.001","98.796","0.001","93.053","0.001","971.9","0.07","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis(piperazinium) bis(dihydrogenphosphato)tetra-μ~2~-hydrogenphosphato- di-μ~3~-hydroxo-di-μ~3~-phosphato-tetragallate(III)","","- C12 H46 Ga4 N6 O34 P8 -","- C12 H46 Ga4 N6 O34 P8 -","- C12 H46 Ga4 N6 O34 P8 -","1","0.5","BI2081","Chia-Her Lin; Sue-Lein Wang","(C~4~H~12~N~2~)~3~[Ga~4~(OH)~2~(H~2~PO~4~)~2~(HPO~4~)~4~(PO~4~)~2~]: a new organically templated gallium phosphate","Acta Crystallographica Section E","2006","62","12","m3289","m3290","10.1107/S1600536806045375","","","0.71073","MoKα","","0.0325","0.0286","","","0.0764","0.0784","","","","","","1.033","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2211287","10.323","0.005","11.434","0.006","9.562","0.005","90","","113.553","0.008","90","","1034.6","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-(Butane-1,4-diyldithio)bis(5-phenyl-1,2,4-triazine)","","- C22 H20 N6 S2 -","- C22 H20 N6 S2 -","- C44 H40 N12 S4 -","2","0.5","BI2083","Li-Rong Wen; Jian-Xia Zhou; En-Tao Sun","3,3'-(Butane-1,4-diyldithio)bis(5-phenyl-1,2,4-triazine)","Acta Crystallographica Section E","2006","62","12","o5399","o5400","10.1107/S1600536806045338","","","0.71073","MoKα","","0.0778","0.0426","","","0.106","0.1255","","","","","","1.032","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211288","9.92","0.002","22.62","0.005","17.46","0.004","90","","97.36","0.03","90","","3885.6","1.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorobis{2-[(triphenylmethyl)imino]pyridyl}cobalt(II)","","- C48 H40 Cl2 Co N4 -","- C48 H40 Cl2 Co N4 -","- C192 H160 Cl8 Co4 N16 -","4","1","BI2085","Yong Fang; Cui-Ying Huang; Zai-Ming Zhu; Xiao-Li Yu; Wan-Sheng You","Dichlorobis{2-[(triphenylmethyl)amino]pyridyl}cobalt(II)","Acta Crystallographica Section E","2006","62","12","m3347","m3348","10.1107/S1600536806045764","","","0.71073","MoKα","","0.0556","0.0386","","","0.0872","0.0975","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211289","13.971","0.004","14.28","0.004","5.553","0.002","90","","90","","90","","1107.9","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","N-(4-bromo-2-hydroxybenzyl)alanine","3-(5-Bromo-2-hydroxybenzylammonio)propanoate","","- C10 H12 Br N O3 -","- C10 H12 Br N O3 -","- C40 H48 Br4 N4 O12 -","4","1","BI2086","Yin, Xiu-Ju; Cai, Jin-Hua; Ng, Seik Weng","3-(5-Bromo-2-hydroxybenzylammonio)propanoate","Acta Crystallographica Section E","2006","62","12","o5409","o5410","10.1107/S1600536806045636","","","0.71073","MoKα","","0.046","0.035","","","0.08","0.082","","","","","","0.92","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211290","21.546","0.002","11.658","0.001","8.19","0.001","90","","105.923","0.001","90","","1978.3","0.3","293","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,3-Dihydroxybenzaldehyde thiosemicarbazone hemihydrate","","- C8 H10 N3 O2.5 S -","- C8 H10 N3 O2.5 S -","- C64 H80 N24 O20 S8 -","8","1","BI2087","Swesi, Abdurazag T.; Farina, Yang; Kassim, Mohammad; Ng, Seik Weng","2,3-Dihydroxybenzaldehyde thiosemicarbazone hemihydrate","Acta Crystallographica Section E","2006","62","12","o5457","o5458","10.1107/S1600536806045776","","","0.71073","MoKα","","0.068","0.057","","","0.124","0.129","","","","","","1.19","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211291","8.0031","0.0015","22.004","0.004","18.896","0.004","90","","90.406","0.003","90","","3327.5","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole-κN^3^}[tris(2- aminoethyl)amine-κ^4^N]cadmium(II) bis(perchlorate)","","- C28 H35 Cd Cl3 N6 O8 -","- C28 H35 Cd Cl3 N6 O8 -","- C112 H140 Cd4 Cl12 N24 O32 -","4","1","BI2089","Zhen-Ming Zhang; Jian Gao; Tong-Tao Xu; Da-Qi Wang","{1-[(2-Chlorophenyl)diphenylmethyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}[tris(2-aminoethyl)amine-κ^4^<i>N</i>]cadmium(II) bis(perchlorate)","Acta Crystallographica Section E","2006","62","12","m3245","m3246","10.1107/S1600536806046332","","","0.71073","MoKα","","0.0733","0.0477","","","0.1089","0.1222","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211292","12.0914","0.0015","12.2993","0.0016","15.0996","0.0019","70.392","0.002","87.612","0.002","74.361","0.002","2034.1","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis[μ-3-(4-methylbenzoyl)propionato]-κ^4^O:O';κ^4^O:O-di-μ~3~-oxo- tetrakis[dibutyltin(IV)]","","- C76 H116 O14 Sn4 -","- C76 H116 O14 Sn4 -","- C76 H116 O14 Sn4 -","1","0.5","BI2090","Tian, Lai-Jin; Zhang, Li-Ping; Sun, Yu-Xi; Liu, Xi-Cheng","Tetrakis[μ-3-(4-methylbenzoyl)propionato]-κ^4^<i>O</i>:<i>O</i>';κ^4^<i>O</i>:<i>O</i>-di-μ~3~-oxo-tetrakis[dibutyltin(IV)]","Acta Crystallographica Section E","2006","62","12","m3323","m3324","10.1107/S1600536806047465","","","0.71073","MoKα","","0.05","0.0372","","","0.1011","0.1098","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211293","14.731","0.002","14.731","","16.043","0.003","90","","90","","120","","3015","0.7","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C33 H45 Cl3 Gd N11 O3 -","- C33 H45 Cl3 Gd N11 O3 -","- C99 H135 Cl9 Gd3 N33 O9 -","3","0.166667","BI2091","Hu, Xue-Lei; Qiu, Li; Sun, Wen-Bing; Ng, Seik Weng","[1,4,12,15,18,26,31,39,42,43,44-Undecaazapentacyclo[13.13.13.1^6,10^.1^20,24^.1^33,37^]tetratetraconta-4,6,8,10(44),11,18,20,22,24(43),25,31,33,35,37(42),38-pentadecaene-κ^9^<i>N</i>^4^,<i>N</i>^11^,<i>N</i>^18^,<i>N</i>^26^,<i>N</i>^31^,<i>N</i>^39^,<i>N</i>^42^,<i>N</i>^43^,<i>N</i>^44^]gadolinium(III) trichloride trihydrate","Acta Crystallographica Section E","2006","62","12","m3351","m3353","10.1107/S1600536806047477","","","0.71073","MoKα","","0.0362","0.0362","","","0.1033","0.1033","","","","","","1.091","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211294","12.823","0.002","9.914","0.003","19.75","0.004","90","","90","","90","","2510.8","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[bis(salicylato-κO)copper(II)]-di-μ-3-pyridylmethanol-κ^2^N:O;κ^2^O:N]","","- C26 H24 Cu N2 O8 -","- C26 H24 Cu N2 O8 -","- C104 H96 Cu4 N8 O32 -","4","0.5","BI2093","Maroszová, Jaroslava; Moncol, Jan; Koman, Marian; Melník, Milan; Głowiak, Tadeusz","Poly[[bis(salicylato-κ<i>O</i>)copper(II)]-di-μ-3-pyridylmethanol-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>]: a redetermination at 100 K","Acta Crystallographica Section E","2006","62","12","m3385","m3387","10.1107/S1600536806047891","","","0.71069","MoKα","","0.0439","0.0392","","","0.085","0.0879","","","","","","1.108","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211295","12.307","0.003","21.789","0.004","19.849","0.003","90","","91.387","0.002","90","","5321.1","1.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3-methyl-5-bibromomethylbenzyl)trisphenylphosphonium bromide","","- C27 H24 Br3 P -","- C27 H24 Br3 P -","- C216 H192 Br24 P8 -","8","2","BI2094","Fu, Ai-Yun; Li, Yu; Wang, Da-Qi; Zhou, Lian-Wen; Fu, Shi-Zhou","[5-(Dibromomethyl)-3-methylbenzyl]triphenylphosphonium bromide","Acta Crystallographica Section E","2006","62","12","o5675","o5676","10.1107/S1600536806047787","","","0.71073","MoKα","","0.1491","0.0558","","","0.1137","0.1376","","","","","","1.009","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211296","8.4259","0.0007","10.9029","0.0009","33.263","0.003","90","","90","","90","","3055.8","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Diethylamino-3-phenylquinazolin-4(3H)-one","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C144 H152 N24 O8 -","8","1","BI2097","Chang Xie; Hong-Xia Li","2-Diethylamino-3-phenylquinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5632","o5633","10.1107/S160053680604582X","","","0.71073","MoKα","","0.0616","0.0518","","","0.1291","0.1362","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211297","10.868","0.001","9.41","0.001","14.19","0.002","90","","94.568","0.002","90","","1446.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O2 S -","- C19 H14 O2 S -","- C76 H56 O8 S4 -","4","1","BI2098","Choi, Hong Dae; Seo, Pil Ja; Kang, Byoung Won; Son, Byeng Wha; Lee, Uk","1-Methylsulfinyl-2-phenylnaphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2006","62","12","o5625","o5626","10.1107/S1600536806048240","","","0.71073","MoKα","","0.0532","0.0459","","","0.11","0.1143","","","","","","1.089","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211298","10.305","0.0005","21.671","0.001","14.0214","0.0007","90","","102.463","0.001","90","","3057.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bromo bis[N,N'-(2-chlorobenzylidene)ethylenediamine(triphenylphosphine)]copper(I)","","- C34 H29 Br Cl2 Cu N2 P -","- C34 H29 Br Cl2 Cu N2 P -","- C136 H116 Br4 Cl8 Cu4 N8 P4 -","4","1","BI2099","Habibi, Mohammad Hossein; Montazerozohori, Morteza; Barati, Kazem; Lee, Uk; Choi, Jong-Ha","[<i>N</i>,<i>N</i>'-Bis(2-chlorobenzylidene)ethylenediamine]bromo(triphenylphosphine)copper(I)","Acta Crystallographica Section E","2006","62","12","m3392","m3394","10.1107/S1600536806048239","","","0.71073","MoKα","","0.0545","0.033","","","0.07","0.0765","","","","","","0.993","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211299","15.096","0.003","4.7967","0.001","9.2361","0.0018","90","","98.1","0.03","90","","662.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[di-μ~2~-acetato-zinc(II)]","","- C4 H6 O4 Zn -","- C4 H6 O4 Zn -","- C16 H24 O16 Zn4 -","4","1","BI2100","He, Hongshan","A new monoclinic polymorph of anhydrous zinc acetate","Acta Crystallographica Section E","2006","62","12","m3291","m3292","10.1107/S1600536806046678","","","0.71073","MoKα","","0.0389","0.0353","","","0.094","0.0966","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211300","21.579","0.003","21.579","0.003","17.342","0.005","90","","90","","90","","8075","3","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","Bis[μ-8-(pyrimidin-2-ylsulfanylmethyl)quinoline- κ^2^N,S]bis[(acetonitrile)silver(I)] bis(trifluoromethanesulfonate)","","- C34 H28 Ag2 F6 N8 O6 S4 -","- C34 H28 Ag2 F6 N8 O6 S4 -","- C272 H224 Ag16 F48 N64 O48 S32 -","8","0.5","BI2101","Song, Rui-Feng; Wang, Yu-Hong; Li, Jian-Rong","Bis[μ-8-(pyrimidin-2-ylsulfanylmethyl)quinoline-κ^2^<i>N</i>,<i>S</i>]bis[(acetonitrile)silver(I)] bis(trifluoromethanesulfonate)","Acta Crystallographica Section E","2006","62","12","m3437","m3438","10.1107/S1600536806048525","","","0.71073","MoKα","","0.0713","0.0378","","","0.0837","0.1013","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211301","7.961","0.005","15.255","0.01","12.128","0.008","90","","98.228","0.009","90","","1457.7","1.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H44 Cl2 N6 O10 Zn2 -","- C18 H44 Cl2 N6 O10 Zn2 -","- C36 H88 Cl4 N12 O20 Zn4 -","2","0.5","BI2105","Zhenming Zhang; Gao Jian; Daqi Wang; Tongtao Xu","Bis{μ-1-[bis(3-aminopropyl)amino]propan-2-olato}zinc(II) bis(perchlorate)","Acta Crystallographica Section E","2006","62","12","m3412","m3413","10.1107/S1600536806048276","","","0.71073","MoKα","","0.13","0.0539","","","0.0826","0.0981","","","","","","0.953","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211302","9.485","0.004","5.1678","0.0006","11.258","0.002","90","","92.97","0.03","90","","551.1","0.3","299","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H15 Br N2 O4 -","- C6 H15 Br N2 O4 -","- C12 H30 Br2 N4 O8 -","2","1","BI2106","Fischer, Andreas","<small>D</small>-Alanine alaninium bromide","Acta Crystallographica Section E","2006","62","12","o5786","o5788","10.1107/S1600536806048288","","","0.71073","MoKα","","0.065","0.054","","","0.124","0.134","","","","","","1.15","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211303","9.051","0.0001","9.668","0.0001","14.583","0.0002","76.319","0.001","88.116","0.001","64.933","0.01","1119.81","0.1","150","2","","","","","","","","","","6","P -1","-P 1","2","","Nonacarbonyl(μ~2~-methanethiolato)(μ~3~-trimethylsilylacetylene)triruthenium","","- C15 H12 O9 Ru3 S Si -","- C15 H12 O9 Ru3 S Si -","- C30 H24 O18 Ru6 S2 Si2 -","2","1","BM2005","Koentjoro, Olivia F.; Sparkes, Hazel A.; Raithby, Paul R.","Nonacarbonyl(μ~2~-methanethiolato)(μ~3~-trimethylsilylacetylene)triruthenium","Acta Crystallographica Section E","2006","62","12","m3220","m3221","10.1107/S1600536806038451","","","0.71073","MoKα","","","0.0249","","","","0.0601","","","","","","1.059","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211304","12.7401","0.0003","13.61","0.0004","8.8838","0.0002","90","","105.457","0.001","90","","1484.67","0.07","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-1,2-Ethanediylbis{2-[(N-benzylcarbamoyl)methoxy]benzamide}","","- C34 H34 N4 O6 -","- C34 H34 N4 O6 -","- C68 H68 N8 O12 -","2","0.5","BM2009","Wei Wang; Yong Huang; Ning Tang","<i>N</i>,<i>N</i>'-1,2-Ethanediylbis{2-[(<i>N</i>-benzylcarbamoyl)methoxy]benzamide}","Acta Crystallographica Section E","2006","62","12","o5557","o5559","10.1107/S1600536806046496","","","0.71073","MoKα","","0.0563","0.0413","","","0.108","0.118","","","","","","1.065","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211305","10.11","0.004","10.29","0.003","10.656","0.004","79.004","0.005","87.806","0.005","85.999","0.006","1085.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(3,5-dinitrobenzoato)bis[4,4,5,5-tetramethyl-2-(4-pyridyl)- 4,5-dihydro-1H-imidazole-1-oxyl-3-oxide]cobalt(II)","","- C38 H42 Co N10 O18 -","- C38 H42 Co N10 O18 -","- C38 H42 Co N10 O18 -","1","0.5","BR2017","Chen-Xi Zhang; Yu-Ying Zhang","Diaquabis(3,5-dinitrobenzoato)bis[4,4,5,5-tetramethyl-2-(4-pyridyl)-4,5-dihydro-1<i>H</i>-imidazole-1-oxyl-3-oxide]cobalt(II)","Acta Crystallographica Section E","2006","62","12","m3293","m3294","10.1107/S160053680604428X","","","0.71073","MoKα","","0.0491","0.036","","","0.0819","0.0884","","","","","","1.022","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211306","11.148","0.0002","7.0072","0.0002","16.7188","0.0004","90","","90","","90","","1306.01","0.05","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","0.5","BT2213","Li, Yin-Huai","6-<i>tert</i>-Butylnaphthalene-2,3-dicarbonitrile","Acta Crystallographica Section E","2006","62","12","o5935","o5936","10.1107/S1600536806050525","","","0.71073","MoKα","","0.0466","0.0364","","","0.1094","0.1173","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211307","10.437","0.006","21.86","0.008","11.341","0.006","90","","108.626","0.007","90","","2452","2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[tris(3-isopropylpyrazolyl)methanesulfonato]manganese(II) dichloromethane disolvate","","- C40 H58 Cl4 Mn N12 O6 S2 -","- C40 H58 Cl4 Mn N12 O6 S2 -","- C80 H116 Cl8 Mn2 N24 O12 S4 -","2","0.5","BV2037","Jernigan, Finith E.; Jové, Fernando A.; Papish, Elizabeth T.; Yap, Glenn P. A.","Bis[tris(3-isopropylpyrazolyl)methanesulfonato]manganese(II) dichloromethane disolvate","Acta Crystallographica Section E","2006","62","12","m3172","m3173","10.1107/S1600536806044606","","","0.71073","MoKα","","0.094","0.0763","","","0.1916","0.2092","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211308","6.6339","0.0007","9.7275","0.001","11.7926","0.0011","72.178","0.002","86.966","0.002","79.262","0.002","711.78","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(O-benzyl dithiocarbonato-κ^2^S,S')bis(3-methylpyridine-κN)nickel(II)","","- C28 H28 N2 Ni O2 S4 -","- C28 H28 N2 Ni O2 S4 -","- C28 H28 N2 Ni O2 S4 -","1","0.5","BV2041","Campian, Marius; Haiduc, Ionel; Tiekink, Edward R. T.","Bis(<i>O</i>-benzyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(3-methylpyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2006","62","12","m3516","m3517","10.1107/S1600536806049385","","","0.71069","MoKα","","0.048","0.042","","","0.088","0.091","","","","","","1.12","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211309","9.8781","0.0008","6.9451","0.0005","19.2655","0.0015","90","","90","","90","","1321.7","0.18","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-(Ethane-1,2-diyl)bis(2H-indazole)","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","0.5","BX2032","Rodríguez de Barbarín, Cecilia; Nájera, Blanca; Elizondo, Perla; Cerda, Patricia","2,2'-(Ethane-1,2-diyl)bis(2<i>H</i>-indazole)","Acta Crystallographica Section E","2006","62","12","o5423","o5424","10.1107/S1600536806045120","","","0.71073","MoKα","","0.0651","0.0402","","","0.0944","0.1056","","","","","","1.016","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211310","22.431","0.002","10.551","0.002","7.8463","0.0007","90","","106.545","0.001","90","","1780.1","0.4","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diaquabis(4-formyl-2-methoxyphenolato)iron(II)","","- C16 H18 Fe O8 -","- C16 H18 Fe O8 -","- C64 H72 Fe4 O32 -","4","0.5","BX2033","Zhang, Hong-Hai","Diaquabis(4-formyl-2-methoxyphenolato)iron(II)","Acta Crystallographica Section E","2006","62","12","m3325","m3327","10.1107/S1600536806047064","","","0.71073","MoKα","","0.0351","0.0333","","","0.1012","0.1026","","","","","","1.123","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211311","32.746","0.007","5.9269","0.0012","22.238","0.004","90","","95.1","0.03","90","","4298.9","1.5","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Triaquacadmium(II)bis(4-formylbenzoateto-κ^2^O,O') tetrahydrate","","- C16 H23 Cd O12.5 -","- C16 H23 Cd O12.5 -","- C128 H184 Cd8 O100 -","8","1","BX2034","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Triaquabis(4-formylbenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium(II) 3.5-hydrate","Acta Crystallographica Section E","2006","62","12","m3362","m3364","10.1107/S1600536806047842","","","0.71073","MoKα","","0.0304","0.0225","","","0.0507","0.0527","","","","","","1.068","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211312","18.0119","0.0009","6.8727","0.0004","16.4295","0.0006","90","","105.059","0.003","90","","1963.97","0.17","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-Bis[(E)-acetone O-propanimidoyloxime-κN']tetrachloroplatinum(IV)","","- C12 H24 Cl4 N4 O2 Pt -","- C12 H24 Cl4 N4 O2 Pt -","- C48 H96 Cl16 N16 O8 Pt4 -","4","0.5","BX2038","Khripun, Anatoly V.; Haukka, Matti; Kukushkin, Vadim Yu.","<i>trans</i>-Bis[(<i>E</i>)-acetone <i>O</i>-propanimidoyloxime-κ<i>N</i>']tetrachloroplatinum(IV)","Acta Crystallographica Section E","2006","62","12","m3404","m3406","10.1107/S1600536806047660","","","0.71073","MoKα","","0.0399","0.0314","","","0.0857","0.0924","","","","","","1.113","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211313","15.656","0.002","15.656","0.002","29.144","0.006","90","","90","","120","","6186.4","1.7","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Diaquatetraethanolcobalt(II) sulfate","","- C4 H20 Co O10 S -","- C4 H20 Co O10 S -","- C72 H360 Co18 O180 S18 -","18","0.5","BX2041","Zhu, Li-Na; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Diaquatetramethanolcobalt(II) sulfate","Acta Crystallographica Section E","2006","62","12","m3401","m3403","10.1107/S1600536806048550","","","0.71073","MoKα","","0.0298","0.0261","","","0.0769","0.0787","","","","","","1.077","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211314","4.9481","0.0004","23.9307","0.0017","14.2943","0.001","90","","99.107","0.001","90","","1671.3","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(5-Chloro-2-hydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1H- pyrazol-3(2H)-one","","- C18 H16 Cl N3 O2 -","- C18 H16 Cl N3 O2 -","- C72 H64 Cl4 N12 O8 -","4","1","BX2044","Sun, Yu-Xi","4-(5-Chloro-2-hydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5858","o5859","10.1107/S1600536806049348","","","0.71073","MoKα","","0.1001","0.0644","","","0.1264","0.1408","","","","","","1.086","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211315","7.7217","0.0005","8.7039","0.0004","11.9158","0.0004","104.099","0.003","93.815","0.004","103.869","0.004","747.41","0.07","298","","","","","","","","","","","5","P -1","-P 1","2","","3-Chloro-N'-hydroxy-N-(1-naphthyl)benzenecarboximidamide","","- C17 H13 Cl N2 O -","- C17 H13 Cl N2 O -","- C34 H26 Cl2 N4 O2 -","2","1","CF2054","Sadaf Saeed; Alam, Samina; Andreas Fischer; Khan, Naeema","3-Chloro-<i>N</i>'-hydroxy-<i>N</i>-(1-naphthyl)benzenecarboximidamide","Acta Crystallographica Section E","2006","62","12","o5363","o5364","10.1107/S1600536806042747","","","0.71073","MoKα","","0.082","0.043","","","0.091","0.11","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211316","14.3552","0.0008","9.9061","0.0006","15.9692","0.0009","90","","113.7","0.001","90","","2079.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-Methyl-4'-phenylindan-2-spiro-2'-pyrrolidine-3'-spiro-1''-cyclooctane- 1,3,2''-trione","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C104 H108 N4 O12 -","4","1","CF2061","S. Selvanayagam; M. N. Devi; D. Velmurugan; K. Ravikumar; M. Poornachandran","1'-Methyl-4'-phenylindan-2-spiro-2'-pyrrolidine-3'-spiro-1''-cyclooctane-1,3,2''-trione","Acta Crystallographica Section E","2006","62","12","o5551","o5553","10.1107/S1600536806044412","","","0.71073","MoKα","","0.0767","0.0613","","","0.1547","0.167","","","","","","1.019","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211317","10.6368","0.0008","12.1783","0.0009","13.1467","0.001","95.259","0.001","109.133","0.001","108.604","0.001","1487.79","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1'-Methyl-3',5''-diphenyl-5'',6'',7'',8'',9'',10'',11''1H-indole-3-spiro- 2'-pyrrolidine-4'-spiro-2''-cycloocteno[1,2-d]thiazolo[3,2-a]pyrimidine- 2,3''-dione","","- C35 H34 N4 O2 S -","- C35 H34 N4 O2 S -","- C70 H68 N8 O4 S2 -","2","1","CF2062","S. Selvanayagam; B. Priyalakshmi; D. Velmurugan; K. Ravikumar; M. Poornachandran","1'-Methyl-3',5''-diphenyl-6'',7'',8'',9'',10'',11''-hexahydro-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-4'-spiro-2''-5''<i>H</i>-cycloocteno[1,2-<i>d</i>]thiazolo[3,2-<i>a</i>]pyrimidine-2,3''(3<i>H</i>,2''<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","12","o5554","o5556","10.1107/S1600536806044424","","","0.71073","MoKα","","0.0648","0.0526","","","0.1336","0.1414","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211318","18.4374","0.0015","12.9716","0.001","13.3604","0.0011","90","","131.392","0.003","90","","2397.1","0.4","298","1","298","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[(1,2:5,6-η)-Cycloocta-1,5-diene]bis[2,3,5,6-tetrafluoro-4- (trifluoromethyl)benzenethiolato]platinum(II)","","- C22 H12 F14 Pt S2 -","- C22 H12 F14 Pt S2 -","- C88 H48 F56 Pt4 S8 -","4","0.5","CF2063","Rivera, Guillermina; Torrens, Hugo; Bernès, Sylvain","[(1,2:5,6-η)-Cycloocta-1,5-diene]bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzenethiolato]platinum(II)","Acta Crystallographica Section E","2006","62","12","m3287","m3288","10.1107/S1600536806044436","","","0.71073","MoKα","","0.0448","0.0316","","","0.0653","0.0706","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211319","11.3427","0.0008","12.0148","0.0009","13.0102","0.001","95.604","0.001","110.887","0.001","109.567","0.001","1512.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-N-methyl-spiro[2.3']oxindole-spiro[3.2'']-5''-phenyl- 5'',6'',7'',8'',9'',10''-hexahydrocyclohepteno[1,2-d]thiazolo[3,2-a]pyrimidin- 3''-one-4-(p-methyl)phenyl-pyrrolidine","","- C35 H34 N4 O2 S -","- C35 H34 N4 O2 S -","- C70 H68 N8 O4 S2 -","2","1","CF2064","D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran; R. Raghunathan","1'-Methyl-5-diphenyl-4'-<i>p</i>-tolyl-5,6,7,8,9,10-hexahydro-1,3-cycloheptapyrimidino[2,3-<i>b</i>]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1<i>H</i>-indole-2'',3(2<i>H</i>,3''<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","12","o5658","o5660","10.1107/S1600536806048021","","","0.71073","MoKα","","0.0466","0.0405","","","0.1029","0.1074","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211320","11.3531","0.0008","12.1973","0.0009","13.2117","0.0009","94.181","0.001","111.683","0.001","111.377","0.001","1536.88","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-N-methyl-spiro[2.3']oxindole-spiro[3.2'']-5''-phenyl- 5'',6'',7'',8'',9'',10'',11''-heptahydrocycloocteno[1,2-d]thiazolo[3,2-a] pyrimidin-3''-one-4-(p-methyl)phenyl-pyrrolidine","","- C36 H36 N4 O2 S -","- C36 H36 N4 O2 S -","- C72 H72 N8 O4 S2 -","2","1","CF2065","D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran; R. Raghunathan","1'-Methyl-5-diphenyl-4'-<i>p</i>-tolyl-5,6,7,8,9,10-hexahydro-1,3-cyclooctapyrimidino[2,3-<i>b</i>]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1<i>H</i>-indole-2'',3(2<i>H</i>,3''<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","12","o5661","o5663","10.1107/S1600536806048033","","","0.71073","MoKα","","0.0416","0.0368","","","0.1004","0.1043","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211321","14.3345","0.001","13.0061","0.0009","14.2616","0.001","90","","99.223","0.001","90","","2624.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3''-(4-Bromobenzylidene)-4'-(4-bromophenyl)-1'-methylindan-2-spiro- 2'-pyrrolidine-3'-spiro-1''-cyclohexane-1,3,2''-trione","","- C31 H25 Br2 N O3 -","- C31 H25 Br2 N O3 -","- C124 H100 Br8 N4 O12 -","4","1","CF2066","B. K. Satis Kumar; D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran","3''-(4-Bromobenzylidene)-4'-(4-bromophenyl)-1'-methylindan-2-spiro-2'-pyrrolidine-3'-spiro-1''-cyclohexane-1,3,2''-trione","Acta Crystallographica Section E","2006","62","12","o5388","o5389","10.1107/S1600536806044448","","","0.71073","MoKα","","0.0688","0.047","","","0.1213","0.1371","","","","","","1.006","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211322","8.1605","0.0007","8.5239","0.0008","11.281","0.0009","95.237","0.002","105.34","0.002","101.205","0.002","733.82","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Cl2 N4 O S -","- C13 H12 Cl2 N4 O S -","- C26 H24 Cl4 N8 O2 S2 -","2","1","CF2067","Kai-Huang Zou; Li-Xue Zhang; Jian-Yu Jin; Hong-Ping Xiao; Jing Zhang","3-[6-(2,4-Dichlorophenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazin-3-yl]propan-1-ol","Acta Crystallographica Section E","2006","62","12","o5779","o5780","10.1107/S160053680604801X","","","0.71073","MoKα","","0.0512","0.0477","","","0.1384","0.1416","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211323","17.2337","0.0014","14.7012","0.0008","16.4273","0.0012","90","","101.409","0.005","90","","4079.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 I6 N6 Ni Pb2 -","- C30 H24 I6 N6 Ni Pb2 -","- C120 H96 I24 N24 Ni4 Pb8 -","4","1","CF2073","Le-Qing Fan; Ling Chen; Li-Ming Wu","<i>catena</i>-Poly[tris(2,2'-bipyridine)nickel(II) [hexa-μ-iodo-diplumbate(II)]]","Acta Crystallographica Section E","2006","62","12","m3373","m3374","10.1107/S1600536806047994","","","0.71073","MolybdenumKα","","0.1109","0.0744","","","0.1895","0.2125","","","","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211324","16.8947","0.0018","8.2884","0.0009","17.2401","0.0017","90","","106.382","0.004","90","","2316.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3'-Methyl-2-[5-(4-methylphenoxymethyl)-4-phenyl-4H-1,2,4-triazol-5- ylsulfanyl]acetanilide","","- C25 H24 N4 O2 S -","- C25 H24 N4 O2 S -","- C100 H96 N16 O8 S4 -","4","1","CI2196","Tang, Jing; Xu, Rong; Zhang, You-Ming; Wei, Tai-Bao","3'-Methyl-2-[5-(4-methylphenoxymethyl)-4-phenyl-4<i>H</i>-1,2,4-triazol-5-ylsulfanyl]acetanilide","Acta Crystallographica Section E","2006","62","12","o5820","o5822","10.1107/S1600536806045247","","","0.71073","MoKα","","0.0739","0.0425","","","0.0997","0.1129","","","","","","1.117","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211325","11.131","0.002","14.206","0.003","18.016","0.004","90","","99.32","0.03","90","","2811.2","1","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Methyl-9-(4-methylbenzylidene)-1-(4-methylphenyl)-3,4-diphenyl- 2-oxa-3,7-diazaspiro[4.5]decan-10-one","","- C35 H34 N2 O2 -","- C35 H34 N2 O2 -","- C140 H136 N8 O8 -","4","1","CI2198","J. Suresh; R. Ranjith Kumar; S. Perumal; A. Mostad; S. Natarajan","7-Methyl-9-(4-methylbenzylidene)-1-(4-methylphenyl)-3,4-diphenyl-2-oxa-3,7-diazaspiro[4.5]decan-10-one","Acta Crystallographica Section E","2006","62","12","o5356","o5358","10.1107/S1600536806044709","","","0.71073","MoKα","","0.0626","0.0428","","","0.1007","0.1129","","","","","","1.016","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211326","7.2025","0.0004","19.3625","0.0014","10.6093","0.0006","90","","108.852","0.004","90","","1400.19","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-Ethyl 4-chloro-3-oxo-2-(2-p-tolylhydrazono)butanoate","","- C13 H15 Cl N2 O3 -","- C13 H15 Cl N2 O3 -","- C52 H60 Cl4 N8 O12 -","4","1","CI2200","Alpaslan, Gökhan; Odabaşoğlu, Mustafa; Özdamar, Özgür; Ocak Ískeleli, Nazan; Erdönmez, Ahmet","(<i>Z</i>)-Ethyl 4-chloro-3-oxo-2-(2-<i>p</i>-tolylhydrazono)butanoate","Acta Crystallographica Section E","2006","62","12","o5354","o5355","10.1107/S1600536806044795","","","0.71073","MoKα","","0.048","0.034","","","0.09","0.097","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211327","8.829","0.0004","14.182","0.0005","12.5238","0.0005","90","","133.882","0.002","90","","1130.27","0.09","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-[(1Z)-1-Hydroxy-3-oxobut-1-en-1-yl]-7-methyl-2H,5H-pyrano[4,3-b]pyran- 2,5-dione","","- C13 H10 O6 -","- C13 H10 O6 -","- C52 H40 O24 -","4","1","CI2201","N. Bouhaine; A. Gherrou; A. van der Lee","3-[(1<i>Z</i>)-1-Hydroxy-3-oxobut-1-en-1-yl]-7-methyl-2<i>H</i>,5<i>H</i>-pyrano[4,3-<i>b</i>]pyran-2,5-dione","Acta Crystallographica Section E","2006","62","12","o5401","o5403","10.1107/S1600536806045065","","","0.71073","MoKα","","0.06","0.0387","","0.0856","0.0663","0.0856","","","","","","1.0217","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211328","9.5545","0.0003","16.5418","0.0002","13.1399","0.0003","90","","101.07","0.11","90","","2038.1","0.8","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-{[(2-phenyl-1H-indol-3-yl)diazenyl]thiazol-4-yl}acetate","","- C22 H20 N4 O2 S -","- C22 H20 N4 O2 S -","- C88 H80 N16 O8 S4 -","4","1","CI2202","Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Saylam, Aytül; Ertan , Nermin","Ethyl 2-{2-[(1-methyl-2-phenyl-1<i>H</i>-indol-3-yl)diazenyl]thiazol-4-yl}acetate","Acta Crystallographica Section E","2006","62","12","o5488","o5489","10.1107/S1600536806046800","","","0.71073","MoKα","","0.1116","0.0645","","","0.1311","0.1531","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211329","13.794","0.001","7.868","0.001","16.299","0.002","90","","111.36","0.01","90","","1647.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","thiazolidinones","2-(2,6-Dichlorophenyl)-3-(quinolin-2-yl)thiazolidin-4-one","","- C18 H12 Cl2 N2 O S -","- C18 H12 Cl2 N2 O S -","- C72 H48 Cl8 N8 O4 S4 -","4","1","CI2203","Raghunandan, Resmi; Rawal, Ravindra K.; Katti, S. B.; Maulik, Prakas R.","2-(2,6-Dichlorophenyl)-3-(quinolin-2-yl)thiazolidin-4-one","Acta Crystallographica Section E","2006","62","12","o5349","o5351","10.1107/S1600536806045399","","","0.71073","MoKα","","0.0724","0.0428","","","0.0951","0.1075","","","","","","1.006","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211330","9.5244","0.0006","13.0693","0.0008","16.8974","0.0009","82.035","0.005","75.877","0.005","77.502","0.005","1983.2","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Diamminebis(tri-tert-butoxysilanethiolato)cadmium(II) acetonitrile solvate","","- C26 H63 Cd N3 O6 S2 Si2 -","- C26 H63 Cd N3 O6 S2 Si2 -","- C52 H126 Cd2 N6 O12 S4 Si4 -","2","1","CI2204","Dołęga, Anna; Godlewska, Sylwia; Baranowska, Katarzyna","Diamminebis(tri-<i>tert</i>-butoxysilanethiolato)cadmium(II) acetonitrile solvate","Acta Crystallographica Section E","2006","62","12","m3567","m3569","10.1107/S1600536806049695","","","0.71073","MoKα","","0.0375","0.0355","","","0.0879","0.0897","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211331","15.402","0.003","11.022","0.002","15.585","0.003","90","","90","","90","","2645.7","0.9","292","2","292","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","trans-Bis{2-[(4-oxidobenzylideneamino)methyl]phenolato}cobalt(II) monohydrate","","- C30 H30 Co N2 O5 -","- C30 H30 Co N2 O5 -","- C120 H120 Co4 N8 O20 -","4","0.5","CI2205","Liu, Zhao-Di","<i>trans</i>-Bis{2-[(4-oxidobenzylideneamino)methyl]phenolato}cobalt(II) monohydrate","Acta Crystallographica Section E","2006","62","12","m3203","m3204","10.1107/S1600536806045697","","","0.71073","MoKα","","0.0681","0.0539","","","0.1625","0.1702","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211332","10.1803","0.0004","13.805","0.0007","13.653","0.0008","90","","99.68","0.004","90","","1891.46","0.17","303","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Aminobenzoic acid‒nicotinic acid (2/1)","","- C20 H19 N3 O6 -","- C20 H19 N3 O6 -","- C80 H76 N12 O24 -","4","1","CI2206","Samuel Robinson Jebas; Thailampillai Balasubramanian","4-Aminobenzoic acid‒nicotinic acid (2/1)","Acta Crystallographica Section E","2006","62","12","o5621","o5622","10.1107/S1600536806046812","","","0.71073","MoKα","","","0.0747","","","","0.2343","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211333","19.2938","0.0019","6.152","0.0006","15.6816","0.0015","90","","103.682","0.001","90","","1808.5","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[[aquasamarium(III)]-μ~4~-citrato-κ^4^O:O':O'':O''']","","- C6 H7 O8 Sm -","- C6 H7 O8 Sm -","- C48 H56 O64 Sm8 -","8","1","CI2207","Tong-Ming Shang; Jian-Hua Sun","Poly[[aquasamarium(III)]-μ~4~-citrato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''']","Acta Crystallographica Section E","2006","62","12","m3242","m3244","10.1107/S1600536806045715","","","0.71073","MoKα","","0.042","0.0383","","","0.0925","0.0944","","","","","","1.047","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211334","7.1885","0.0007","9.1504","0.0009","20.251","0.002","90","","90","","90","","1332.1","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(3-Chloro-10,11-dihydrodibenzo[b,f]azepin-5-yl)ethanone","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C64 H56 Cl4 N4 O4 -","4","1","CI2208","Yuan, Yan-Qin; Guo, Sheng-Rong; Wang, Yan; Gu, Yong-Bing","1-(3-Chloro-10,11-dihydrodibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)ethanone","Acta Crystallographica Section E","2006","62","12","o5515","o5516","10.1107/S1600536806046472","","","0.71073","MoKα","","0.0644","0.0612","","","0.1169","0.1185","","","","","","1.252","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211335","7.4537","0.0011","13.5585","0.0019","15.509","0.002","109.269","0.002","93.852","0.002","94.085","0.003","1468.9","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(E)-4-Bromo-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4- ylimino)methyl]-6-methoxyphenyl 4-methylbenzenesulfonate N,N'-dimethylformamide solvate","","- C29 H31 Br N4 O6 S -","- C29 H31 Br N3.998 O6 S -","- C58 H62 Br2 N7.996 O12 S2 -","2","1","CI2209","Shi, Jun","(<i>E</i>)-4-Bromo-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-ylimino)methyl]-6-methoxyphenyl 4-methylbenzenesulfonate <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2006","62","12","o5429","o5431","10.1107/S1600536806045855","","","0.71073","MoKα","","0.0886","0.0462","","","0.1081","0.1335","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211336","9.778","0.002","11.787","0.002","16.972","0.003","90","","90","","90","","1956.1","0.6","295","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-3,3'-Dibromo-2,2'-dimethoxy-5,5',6,6',7,7',8,8'-octahydro- 1,1'-binaphthalene","","- C22 H24 Br2 O2 -","- C22 H24 Br2 O2 -","- C88 H96 Br8 O8 -","4","1","CI2212","He, Long; Ng, Seik Weng","(<i>R</i>)-3,3'-Dibromo-2,2'-dimethoxy-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene: a Brönsted acid for catalyzing asymmetric Morita‒Baylis‒Hillman reactions","Acta Crystallographica Section E","2006","62","12","o5517","o5519","10.1107/S1600536806046575","","","0.71073","MoKα","","0.113","0.067","","","0.165","0.187","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211337","11.273","0.002","10.401","0.002","18.002","0.004","90","","90.38","0.03","90","","2110.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,3'-(4-Chlorophenylmethanediyl)bis(5-methoxy-1H-indole)","","- C25 H21 Cl N2 O2 -","- C25 H21 Cl N2 O2 -","- C100 H84 Cl4 N8 O8 -","4","1","CI2213","Zhang, Dong-Mei; Tang, Shi-Gui; Wu, Wen-Yuan; Tang, Qing-Gang; Guo, Cheng","3,3'-(4-Chlorophenylmethanediyl)bis(5-methoxy-1<i>H</i>-indole)","Acta Crystallographica Section E","2006","62","12","o5467","o5468","10.1107/S1600536806046393","","","0.71073","MoKα","","0.1114","0.0612","","","0.1409","0.1681","","","","","","1.015","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211338","19.573","0.005","12.05","0.002","18.269","0.004","90","","105.23","0.01","90","","4157.5","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis[μ-2-(1,3-dithian-2-ylidene)-3-oxobutanoato- κ^2^O:O']bis[aquacopper(II)]","","- C32 H40 Cu2 O14 S8 -","- C32 H40 Cu2 O14 S8 -","- C128 H160 Cu8 O56 S32 -","4","1","CI2214","Zhan-Lin Xu; Guang-Bo Che; Ng, Seik Weng","Tetrakis[μ-2-(1,3-dithian-2-ylidene)-3-oxobutanoato-κ^2^<i>O</i>:<i>O</i>']bis[aquacopper(II)]","Acta Crystallographica Section E","2006","62","12","m3295","m3297","10.1107/S1600536806046794","","","0.71073","MoKα","","0.043","0.034","","","0.087","0.092","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211339","12.6312","0.0017","18.756","0.003","20.197","0.003","90","","96.846","0.002","90","","4750.8","1.2","292","2","292","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tris(1,10-phenanthroline)nickel(II) di-iodo-bis(diiodomercurate) N,N'-dimethylformamide monohydrate","","- C39 H33 Hg2 I6 N7 Ni O2 -","- C39 H33 Hg2 I6 N7 Ni O2 -","- C156 H132 Hg8 I24 N28 Ni4 O8 -","4","1","CI2216","Hua Fang; Xuya Dai","Tris(1,10-phenanthroline)nickel(II) di-μ-iodo-bis(diiodomercurate) <i>N</i>,<i>N</i>-dimethylformamide solvate monohydrate","Acta Crystallographica Section E","2006","62","12","m3565","m3566","10.1107/S160053680605032X","","","0.71073","MoKα","","0.0703","0.0408","","","0.0841","0.0949","","","","","","0.982","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211340","5.245","0.004","11.744","0.007","13.03","0.007","90","","94.45","0.03","90","","800.2","0.9","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H20 Cl Co N2 O11 -","- C7 H19 Cl Co N2 O11 -","- C14 H38 Cl2 Co2 N4 O22 -","2","0.5","CI2219","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","<i>catena</i>-Poly[[[tetraaquacobalt(III)]-μ-1<i>H</i>-imidazole-1,3-diyldiacetato-κ^2^<i>O</i>:<i>O</i>'] chloride hydroxide dihydrate]","Acta Crystallographica Section E","2006","62","12","m3418","m3419","10.1107/S1600536806047982","","","0.71073","MoKα","","0.089","0.072","","","0.192","0.201","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211341","13.0201","0.001","18.4015","0.0014","16.6352","0.0012","90","","110.088","0.001","90","","3743.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2-Methoxy-N'-(2-oxidobenzoyl)benzohydrazidato(3-)]dipyridinetrizinc(II)","","- C40 H32 N6 O8 Zn3 -","- C40 H32 N6 O8 Zn3 -","- C160 H128 N24 O32 Zn12 -","4","1","CI2221","Yu, Zong-Xue; Sun, Yu-Xi","Bis[μ-2-methoxy-<i>N</i>'-(2-oxidobenzoyl)benzohydrazidato(3‒)]dipyridinetrizinc(II)","Acta Crystallographica Section E","2006","62","12","m3521","m3523","10.1107/S1600536806050094","","","0.71073","MoKα","","0.0719","0.0496","","","0.1188","0.1315","","","","","","1.016","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211342","7.3389","0.0001","13.6979","0.0002","10.5491","0.0001","90","","126.747","0.001","90","","849.74","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-Methoxyphenyl)thiourea","N-(2-Methoxyphenyl)thiourea","","- C8 H10 N2 O S -","- C8 H10 N2 O S -","- C32 H40 N8 O4 S4 -","4","1","CI2223","Mohd Mustaqim Rosli; Mari Sithambaram Karthikeyan; Hoong-Kun Fun; Ibrahim Abdul Razak; P. S. Patil; Bantwal Shivarama Holla; S. M. Dharmaprakash","<i>N</i>-(2-Methoxyphenyl)thiourea","Acta Crystallographica Section E","2006","62","12","o5692","o5693","10.1107/S1600536806049002","","","0.71073","MoKα","","0.0278","0.0263","","","0.0775","0.0786","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211343","6.5021","0.0001","12.9728","0.0002","29.5163","0.0004","90","","90","","90","","2489.71","0.06","100","0.1","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3,19-(2,6-dimethoxybenzyledine)andrographolide","(E)-3-{2-[3-(2,6-dimethoxyphenyl)-6a,10b-dimethyl-8-methylene-decahydro- 1H-naphtho[2,1-d][1,3]dioxin-7-yl]ethylidene}-4-hydroxy-4,5-dihydrofuran- 2(3H)-one","","- C29 H38 O7 -","- C29 H38 O7 -","- C116 H152 O28 -","4","1","CI2224","Sreenivasa Rao Sagineedu; Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; Nordin Hj Lajis; Johnson Stanslas","3,19-(2,6-Dimethoxybenzylidene)andrographolide","Acta Crystallographica Section E","2006","62","12","o5806","o5808","10.1107/S1600536806048999","","","0.71073","MoKα","","0.0539","0.0431","","","0.1004","0.1155","","","","","","1.085","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211344","6.1484","0.0007","24.812","0.003","8.1623","0.0009","90","","97.306","0.001","90","","1235.1","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-tert-Butyl-4-toluenesulfonamide","","- C11 H17 N O2 S -","- C11 H17 N O2 S -","- C44 H68 N4 O8 S4 -","4","1","CI2226","Xiao-Lin Zhang; Yong-Ping Yan; Liang Ding; Lai-Tao Luo","<i>N</i>-<i>tert</i>-Butyl-4-toluenesulfonamide","Acta Crystallographica Section E","2006","62","12","o5809","o5810","10.1107/S1600536806049567","","","0.71073","MoKα","","0.0459","0.0392","","","0.104","0.1087","","","","","","1.075","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211345","19.922","0.003","19.922","","16.226","0.002","90","","90","","120","","5577.1","1.1","295","2","295","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","Poly[[diaquabis(μ-3,3',5,5'-tetramethyl-4,4'-bipyrazole-κ^2^N:N')cobalt(II)] dinitrate]","","- C20 H32 Co N10 O8 -","- C20 H32 Co N10 O8 -","- C120 H192 Co6 N60 O48 -","6","0.25","CI2228","Zhang, Guo-Fang; Lui, Hui-Qin; She, Jiang-Bo; Ng, Seik Weng","Poly[[diaquabis(μ-3,3',5,5'-tetramethyl-4,4'-bipyrazole-κ^2^<i>N</i>:<i>N</i>')cobalt(II)] dinitrate]","Acta Crystallographica Section E","2006","62","12","m3486","m3488","10.1107/S1600536806049257","","","0.71073","MoKα","","0.084","0.051","","","0.15","0.169","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211346","8.486","0.0012","22.446","0.003","11.5348","0.0016","90","","90.305","0.002","90","","2197.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 5-hydroxy-3-(3-methoxybenzoyl)-1',5-dimethyl-2'-oxo-4,5-dihydro-1'H- spiro[furan-2(3H),3'(2'H)-indole]-4-carboxylate","","- C24 H25 N O7 -","- C24 H25 N O7 -","- C96 H100 N4 O28 -","4","1","CI2235","D. Gayathri; D. Velmurugan; K. Ravikumar; G. Savitha; P. T. Perumal","Ethyl 5-hydroxy-3-(3-methoxybenzoyl)-1',5-dimethyl-2'-oxo-4,5-dihydro-1'<i>H</i>-spiro[furan-2(3<i>H</i>),3'(2'<i>H</i>)-indole]-4-carboxylate","Acta Crystallographica Section E","2006","62","12","o5947","o5949","10.1107/S1600536806050756","","","0.71073","MoKα","","0.0717","0.0556","","","0.1546","0.1677","","","","","","1.035","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211347","12.4251","0.0012","3.9154","0.0004","16.0231","0.0016","90","","108.796","0.002","90","","737.94","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-methoxy-1,3-benzoxazolin-2(3H)-one","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C32 H28 N4 O12 -","4","1","CI2236","D. Gayathri; M. Jeyam; N. Raaman; D. Velmurugan; K. Ravikumar","6-Methoxy-1,3-benzoxazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5950","o5952","10.1107/S1600536806050471","","","0.71073","MoKα","","0.0337","0.0323","","","0.0979","0.0995","","","","","","1.11","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211348","7.7953","0.0016","10.517","0.002","15.323","0.003","106.87","0.03","93.24","0.03","95.32","0.03","1192.4","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Aquabis(4-formylbenzoato-κO)(1,10-phenanthroline-κ^2^N,N')zinc(II)","","- C28 H20 N2 O7 Zn -","- C28 H20 N2 O7 Zn -","- C56 H40 N4 O14 Zn2 -","2","1","CS2022","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Aquabis(4-formylbenzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section E","2006","62","12","m3527","m3529","10.1107/S1600536806050239","","","0.71073","MoKα","","0.0438","0.0326","","","0.0838","0.0883","","","","","","1.077","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211349","4.5368","0.0002","9.7315","0.0004","14.5803","0.0006","89.3231","0.0013","84.7769","0.0014","81.383","0.002","633.81","0.05","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","diethyl 5-carboxybenzene-1,3-dicarboxylate","","- C13 H14 O6 -","- C13 H14 O6 -","- C26 H28 O12 -","2","1","CS2023","Sankar Muniappan; Israel Goldberg","Supramolecular assembly of diethyl 5-carboxybenzene-1,3-dicarboxylate","Acta Crystallographica Section E","2006","62","12","o5878","o5880","10.1107/S1600536806050409","","","0.71073","MoKα","","0.0847","0.0547","","","0.1444","0.168","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211350","13.3487","0.0006","10.5295","0.0005","17.2793","0.0007","90","","99.073","0.003","90","","2398.31","0.19","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Acetamidoadamantane-1-carboxylic acid","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C104 H152 N8 O24 -","8","2","CV2133","Molčanov, Krešimir; Kojić-Prodić, Biserka; Basarić, Nikola; Mlinarić-Majerski, Kata","3-Acetamidoadamantane-1-carboxylic acid","Acta Crystallographica Section E","2006","62","12","o5406","o5408","10.1107/S1600536806045417","","","1.54184","CuKα","","","0.0432","","","","0.1231","","","","","","1.026","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211351","9.2157","0.0003","9.2157","0.0003","37.458","0.003","90","","90","","90","","3181.3","0.3","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Triaqua-bis[bis(3,5-dimethyl-1,2,4-triazol-1-yl)methane]- copper(II) bis(perchlorate)","","- C18 H34 Cl2 Cu N12 O11 -","- C18 H34 Cl2 Cu N12 O11 -","- C72 H136 Cl8 Cu4 N48 O44 -","4","0.5","CV2135","Xiang, Qun; Cheng, Yu; Ling, Yun; Zhang, Lei; Shi, Li-Yi","Triaquabis[bis(3,5-dimethyl-1,2,4-triazol-1-yl)methane-κ<i>N</i>^4^]copper(II) bis(perchlorate)","Acta Crystallographica Section E","2006","62","12","m3462","m3464","10.1107/S1600536806048318","","","0.71073","MoKα","","0.0461","0.0419","","","0.1155","0.1186","","","","","","1.074","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211352","7.691","0.0015","7.674","0.0015","25.619","0.005","90","","92.19","0.03","90","","1510.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(4-Methoxyphenyl)-N'-(2-methylbenzoyl)thiourea","","- C16 H16 N2 O2 S -","- C16 H16 N2 O2 S -","- C64 H64 N8 O8 S4 -","4","1","CV2143","Qian-Jin Li; Chun-long Yang; Xue-Qun Xie","<i>N</i>-(4-Methoxyphenyl)-<i>N</i>'-(2-methylbenzoyl)thiourea","Acta Crystallographica Section E","2006","62","12","o5397","o5398","10.1107/S160053680604517X","","","0.71073","MoKα","","0.1169","0.0696","","","0.1724","0.2079","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211353","9.2217","0.0008","12.0008","0.0011","10.2391","0.001","90","","90","","90","","1133.14","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(1H-Tetrazol-5-ylmethyl)pyrrolidine-2-carboxamide dihydrate","","- C7 H16 N6 O3 -","- C7 H16 N6 O3 -","- C28 H64 N24 O12 -","4","1","CV2144","Zheng, Ji-Fu; Zhang, Suo-Qin; Wang, Li; Yang, Song-Tao; Li, Yao-Xian","(<i>S</i>)-<i>N</i>-(1<i>H</i>-Tetrazol-5-ylmethyl)pyrrolidine-2-carboxamide dihydrate","Acta Crystallographica Section E","2006","62","12","o5927","o5928","10.1107/S1600536806050380","","","0.71073","MoKα","","0.0523","0.0503","","","0.1393","0.1413","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211354","15.8533","0.0015","6.9436","0.0007","19.0716","0.0018","90","","95.648","0.002","90","","2089.2","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N-{3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoyl}- N'-(4,6-dimethylpyrimidin-2-yl)thiourea","","- C21 H16 Cl F3 N4 O2 S -","- C21 H16 Cl F3 N4 O2 S -","- C84 H64 Cl4 F12 N16 O8 S4 -","4","1","CV2145","Peng, Hao; He, Hong-Wu","<i>N</i>-{3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoyl}-<i>N</i>'-(4,6-dimethylpyrimidin-2-yl)thiourea","Acta Crystallographica Section E","2006","62","12","o5371","o5372","10.1107/S1600536806045429","","","0.71073","Mokα","","0.1013","0.0575","","","0.1349","0.163","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211355","7.1509","0.0014","10.821","0.002","15.214","0.003","110.25","0.03","90.7","0.03","90.09","0.03","1104.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4,4'-(m-Phenylenendioxydimethylene)dipyridinium dinitrate trihydrate","","- C18 H24 N4 O11 -","- C18 H24 N4 O11 -","- C36 H48 N8 O22 -","2","1","CV2147","Gao, Jin-Sheng; Liu, Ying; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei","4,4'-(<i>m</i>-Phenylenedioxydimethylene)dipyridinium dinitrate trihydrate","Acta Crystallographica Section E","2006","62","12","o5645","o5646","10.1107/S1600536806048379","","","0.71073","MoKα","","0.0722","0.0472","","","0.1304","0.1526","","","","","","1.086","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211356","9.305","0.001","10.857","0.001","15.746","0.002","90","","93.033","0.001","90","","1588.5","0.3","293","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ~2~-phenylbis(2-pyridyl)phosphine]-κ^3^N,N':P;κ^3^P:N,N'- bis[chlorocopper(I)]","","- C32 H26 Cl2 Cu2 N4 P2 -","- C32 H26 Cl2 Cu2 N4 P2 -","- C64 H52 Cl4 Cu4 N8 P4 -","2","0.5","CV2148","Zhang, Tian-Le; Wang, Kai-Li; Ng, Seik Weng","Bis[μ~2~-phenylbis(2-pyridyl)phosphine]-κ^3^<i>N</i>,<i>N</i>':<i>P</i>;κ^3^<i>P</i>:<i>N</i>,<i>N</i>'-bis[chlorocopper(I)]","Acta Crystallographica Section E","2006","62","12","m3494","m3495","10.1107/S1600536806049750","","","0.71073","MoKα","","0.045","0.035","","","0.089","0.094","","","","","","1.04","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2211357","19.718","0.003","12.7157","0.0017","7.5952","0.001","90","","99.419","0.002","90","","1878.7","0.5","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Diethylamino-3-(4-methylphenyl)-1-benzothieno[3,2-d]pyrimidin-4(3H)-one","","- C21 H21 N3 O S -","- C21 H21 N3 O S -","- C84 H84 N12 O4 S4 -","4","1","CV2152","Sheng-Zhen Xu; Hong Luo; Ai-Hua Zheng","2-Diethylamino-3-(4-methylphenyl)-1-benzothieno[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5828","o5829","10.1107/S1600536806050124","","","0.71073","MoKα","","0.0655","0.0503","","","0.1227","0.1304","","","","","","0.96","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211358","7.6572","0.0009","17.218","0.002","14.443","0.0017","90","","98.359","0.002","90","","1884","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ~2~-4,4'-Bipyridine-κ^2^N:N'-bis{[N-(2-aminoethyl)-1,3-propyldiamine- κ^3^N,N',N'']aquacopper(II)} tetrakis(perchlorate)","","- C20 H42 Cl4 Cu2 N8 O18 -","- C20 H42 Cl4 Cu2 N8 O18 -","- C40 H84 Cl8 Cu4 N16 O36 -","2","0.5","CV2158","Zhen-Ming Zhang; Da-Qi Wang; Gao Jian; Shuan Li","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis{[<i>N</i>-(2-aminoethyl)-1,3-propyldiamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']aquacopper(II)} tetrakis(perchlorate)","Acta Crystallographica Section E","2006","62","12","m3570","m3572","10.1107/S1600536806050586","","","0.71073","MoKα","","0.0713","0.0606","","","0.1527","0.1604","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211359","8.802","0.0018","8.961","0.0018","11.035","0.002","90","","97.19","0.03","90","","863.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-ylamine","","- C8 H6 F N3 S -","- C8 H6 F N3 S -","- C32 H24 F4 N12 S4 -","4","1","DN2063","Wan, Rong; Han, Feng; Wu, Feng; Zhang, Jin-Jun; Wang, Jin-Tang","5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-ylamine","Acta Crystallographica Section E","2006","62","12","o5547","o5548","10.1107/S1600536806039729","","","0.71073","MoKα","","0.0604","0.048","","","0.122","0.1329","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211360","11.3127","0.0005","9.11","0.0003","16.3114","0.0008","90","","102.803","0.002","90","","1639.24","0.12","293.5","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,4,4-Trichloro-2-nitro-1-propylsulfanyl-1-(4-thiomorpholinyl)buta-1,3-diene","","- C11 H15 Cl3 N2 O2 S2 -","- C11 H15 Cl3 N2 O2 S2 -","- C44 H60 Cl12 N8 O8 S8 -","4","1","DN2078","Ibis, Cemil; Deniz, N. Gulsah","3,4,4-Trichloro-2-nitro-1-propylsulfanyl-1-(4-thiomorpholinyl)buta-1,3-diene","Acta Crystallographica Section E","2006","62","12","o5373","o5374","10.1107/S1600536806045211","","","0.7107","MoKα","","0.0749","0.0749","","","0.1336","0.1336","","","","","","1.484","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211361","7.753","0.001","7.62","0.002","29.94","0.005","90","","97.05","0.01","90","","1755.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Aquabis(quinoline-2-carboxylato-κ^2^N,O)cobalt(II)","","- C20 H14 Co N2 O5 -","- C20 H14 Co N2 O5 -","- C80 H56 Co4 N8 O20 -","4","1","DN2083","Yuan, Wen-Bing; Wu, Shan-Shan; Liu, Ming; Wang, Hai-Yang; Zhang, Qi","<i>trans</i>-Aquabis(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2006","62","12","m3263","m3264","10.1107/S1600536806045983","","","0.71073","MoKα","","0.0678","0.0382","","","0.0762","0.0823","","","","","","0.871","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211362","6.954","0.004","21.605","0.009","10.849","0.007","90","","103.93","0.02","90","","1582","1.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(pyridine-4-carboxylic acid-κN)silver(I) nitrate dihydrate","","- C12 H14 Ag N3 O9 -","- C12 H14 Ag N3 O9 -","- C48 H56 Ag4 N12 O36 -","4","1","DN2084","Li, Bao; Gao, Po; Ye, Ling; Yang, Guang-Di; Wu, Li-Xin","Bis(pyridine-4-carboxylic acid-κ<i>N</i>)silver(I) nitrate dihydrate","Acta Crystallographica Section E","2006","62","12","m3238","m3239","10.1107/S1600536806045624","","","0.71073","MoKα","","0.0574","0.0402","","","0.0871","0.0916","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211363","8.1504","0.0013","8.4608","0.0014","9.6959","0.0016","90","","98.036","0.002","90","","662.05","0.19","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-(2-Furyl)-3-methyl-1-(4-nitrophenyl)-2-pyrazoline","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C28 H26 N6 O6 -","2","1","DN2085","Yin, Zhi-Gang; Xu, Pei-Yuan; Qian, Heng-Yu; Zhou, Na; Liu, Sheng-Min","5-(2-Furyl)-3-methyl-1-(4-nitrophenyl)-2-pyrazoline","Acta Crystallographica Section E","2006","62","12","o5508","o5509","10.1107/S1600536806046782","","","0.71073","MoKα","","0.0622","0.0361","","","0.0777","0.0907","","","","","","1.005","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211364","6.7401","0.0011","10.4033","0.0017","14.065","0.002","79.475","0.006","80.193","0.006","78.639","0.006","941.4","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2-Hydroxy-N'-[(1E)-1-(2-hydroxy-5-methylphenyl)-2- phenylethylidene]benzohydrazide","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C44 H40 N4 O6 -","2","1","DN2087","Guo-Fang He; Jian-Min Dou; Jian-Guo Chang","2-Hydroxy-<i>N</i>'-[(1<i>E</i>)-1-(2-hydroxy-5-methylphenyl)-2-phenylethylidene]benzohydrazide","Acta Crystallographica Section E","2006","62","12","o5527","o5528","10.1107/S1600536806046757","","","0.71073","MoKα","","0.0483","0.0379","","","0.1041","0.1137","","","","","","1.031","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211365","7.365","0.006","7.368","0.007","11.755","0.01","98.33","0.03","99.61","0.03","109.29","0.03","579.8","0.9","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","Hexaaquanicklel(II) bis[(4-nitrophenylsulfanyl)acetate]","","- C16 H24 N2 Ni O14 S2 -","- C16 H24 N2 Ni O14 S2 -","- C16 H24 N2 Ni O14 S2 -","1","0.5","DN2089","Gao, Jin-Sheng; Li, Bai-Yan; Hou, Guang-Feng; Hou, Yan-Jun; Yan, Peng-Fei","Hexaaquanickel(II) bis[(4-nitrophenylsulfanyl)acetate]","Acta Crystallographica Section E","2006","62","12","m3473","m3474","10.1107/S1600536806049725","","","0.71073","MoKα","","0.0441","0.0322","","","0.0901","0.1161","","","","","","1.161","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211366","13.519","0.01","9.902","0.009","13.319","0.017","90","","90","","90","","1783","3","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","[5-Fluoro-2-(4-methylbenzoyloxy)phenyl](4-methylphenyl)methanone","","- C22 H17 F O3 -","- C22 H17 F O3 -","- C88 H68 F4 O12 -","4","1","DN2090","Naveen, S.; Venu, T. D.; Shashikanth, S.; Sridhar, M. A.; Shashidhara Prasad, J.","[5-Fluoro-2-(4-methylbenzoyloxy)phenyl](4-methylphenyl)methanone","Acta Crystallographica Section E","2006","62","12","o5896","o5898","10.1107/S1600536806049737","","","0.71073","MoKα","","0.0459","0.0384","","","0.1013","0.1196","","","","","","1.11","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211367","9.1513","0.0018","10.009","0.002","10.424","0.002","74.23","0.03","84.12","0.03","87.98","0.03","914","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","trans-Bis(hexafluoroacetylacetonato-κ^2^O,O')bis[trans-1-(2-pyridyl)- 2-(4-pyridyl)ethylene-κN^4^]copper(II)","","- C34 H22 Cu F12 N4 O4 -","- C34 H22 Cu F12 N4 O4 -","- C34 H22 Cu F12 N4 O4 -","1","0.5","DN2091","Juan Granifo; Moisés Vargas; Ricardo Baggio","<i>trans</i>-Bis(hexafluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis[<i>trans</i>-1-(2-pyridyl)-2-(4-pyridyl)ethylene-κ<i>N</i>^4^]copper(II)","Acta Crystallographica Section E","2006","62","12","m3456","m3458","10.1107/S1600536806048574","","","0.71073","MoKα","","0.1419","0.0543","","","0.1366","0.193","","","","","","0.939","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211368","5.4991","0.0009","23.968","0.004","10.9768","0.0018","90","","98.478","0.014","90","","1431","0.4","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-[2-(anthracen-9-yl)ethenyl]thiophene","","- C20 H14 S -","- C20 H14 S -","- C80 H56 S4 -","4","1","DN2092","Wagner, Paweł; Officer, David L.; Kubicki, Maciej","A flip-disorder in the structure of 3-[2-(anthracen-9-yl)ethenyl]thiophene","Acta Crystallographica Section E","2006","62","12","o5745","o5747","10.1107/S1600536806048586","","","0.71073","MoKα","","0.1262","0.0603","","","0.1007","0.1099","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211369","6.9502","0.0005","16.2139","0.0007","19.2198","0.0007","90","","95.309","0.002","90","","2156.6","0.2","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E,3E)-Ethyl 2-[(naphthalen-8-ylamino)methylene]-3-(naphthalen-1-ylimino)butanoate","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C108 H96 N8 O8 -","4","1","DN2093","Benboudiaf, Ali; Beghidja, Adel; Beghidja, Chahrazed; Ouahab, Lahcène; Bouaoud, Salah Eddine","(2<i>E</i>,3<i>E</i>)-Ethyl 2-[(naphthalen-8-ylamino)methylene]-3-(naphthalen-1-ylimino)butanoate","Acta Crystallographica Section E","2006","62","12","o5838","o5839","10.1107/S1600536806049749","","","0.71073","MoKα","","0.1086","0.0555","","","0.1434","0.1745","","","","","","1.017","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211370","6.5911","0.0014","7.7815","0.0017","31.125","0.007","90","","90","","90","","1596.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-Dioxopyrrolidin-1-yl (1<i>R</i>,2S,5<i>R</i>)-2-isopropyl-5-methylcyclohexyl carbonate","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C60 H92 N4 O20 -","4","1","DN2094","Wang, Tong-Jian; Fang, Hua; Cheng, Fang; Tang, Guo; Zhao, Yu-Fen","2,5-Dioxopyrrolidin-1-yl (1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyl carbonate","Acta Crystallographica Section E","2006","62","12","o5784","o5785","10.1107/S1600536806049774","","","0.71073","MoKα","","0.0633","0.0618","","","0.1259","0.1265","","","","","","1.387","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211371","11.5558","0.0004","17.9911","0.0009","12.9268","0.0006","90","","93.201","0.003","90","","2683.3","0.2","183","2","183","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4,N-Tri-tert-butyl-2,5-bis-tert-butylimino-1,2,4,5- tetrahydropyrrolo[3,2-b]pyrrol-3-amine","","- C26 H47 N5 -","- C26 H47 N5 -","- C104 H188 N20 -","4","1","DN2095","Imhof, Wolfgang; Görls, Helmar; Halbauer, Kathi","1,4,<i>N</i>-Tri-<i>tert</i>-butyl-2,5-bis-<i>tert</i>-butylimino-1,2,4,5-tetrahydropyrrolo[3,2-<i>b</i>]pyrrol-3-amine","Acta Crystallographica Section E","2006","62","12","o5866","o5868","10.1107/S1600536806050112","","","0.71073","MoKα","","0.1263","0.0572","","","0.1146","0.1367","","","","","","1.006","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211372","12.379","0.002","12.651","0.002","20.421","0.004","90","","90","","90","","3198.1","1","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-bis(2-cyano-2-thienylvinyl)thiophene","","- C18 H10 N2 S3 -","- C18 H10 N2 S3 -","- C144 H80 N16 S24 -","8","1","DN2097","Wagner, Paweł; Officer, David L.; Kubicki, Maciej","2,5-Bis(2-cyano-2-thienylvinyl)thiophene","Acta Crystallographica Section E","2006","62","12","o5931","o5932","10.1107/S1600536806050100","","","0.71073","MoKα","","0.0566","0.0406","","","0.0866","0.0947","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211373","28.768","0.005","8.9966","0.0012","17.703","0.003","90","","108.727","0.004","90","","4339.2","1.2","153","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Cyclopropyl-7,7-dimethyl-10-(4-nitrophenyl)-7,8-dihydro-5H- indeno[1,2-b]quinoline-9,11(6H,10H)-dione","","- C27 H24 N2 O4 -","- C27 H24 N2 O4 -","- C216 H192 N16 O32 -","8","1","EZ2046","Zi-Qiang Tang; Bo Jiang; Run-Hong Jia","5-Cyclopropyl-7,7-dimethyl-10-(4-nitrophenyl)-7,8-dihydro-5<i>H</i>-indeno[1,2-<i>b</i>]quinoline-9,11(6<i>H</i>,10<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","12","o5582","o5584","10.1107/S1600536806047271","","","0.7107","MoKα","","0.076","0.062","","","0.118","0.124","","","","","","1.2","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211374","8.9069","0.0003","10.3003","0.0004","10.3457","0.0004","103.29","0.001","107.605","0.001","112.436","0.001","769.31","0.05","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","[μ-N,N'-Bis(3-aminopropyl)oxamidato(2-)]bis[(2,2'-bipyridine)copper(II)] dinitrate","","- C28 H32 Cu2 N10 O8 -","- C28 H32 Cu2 N10 O8 -","- C28 H32 Cu2 N10 O8 -","1","0.5","EZ2047","Boyd, Peter D. W.; Rickard, C. E. F.","[μ-<i>N</i>,<i>N</i>'-Bis(3-aminopropyl)oxamidato(2{-})]bis[(2,2'-bipyridine)copper(II)] dinitrate","Acta Crystallographica Section E","2006","62","12","m3200","m3202","10.1107/S1600536806045351","","","0.71073","MoKα","","0.028","0.026","","","0.07","0.072","","","","","","1.06","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211375","8.2869","0.0015","8.935","0.0016","16.375","0.003","92.368","0.003","102.547","0.003","95.484","0.003","1175.7","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-Methoxy-N'-[3-(4-methylphenylsulfonyloxy)benzylidene]benzohydrazide acetic acid solvate","","- C24 H24 N2 O7 S -","- C24 H24 N2 O7 S -","- C48 H48 N4 O14 S2 -","2","1","EZ2048","Chen, Xin; Yu, Ming","(<i>E</i>)-2-Methoxy-<i>N</i>'-[3-(4-methylphenylsulfonyloxy)benzylidene]benzohydrazide acetic acid solvate","Acta Crystallographica Section E","2006","62","12","o5722","o5723","10.1107/S1600536806048847","","","0.71073","MoKα","","0.067","0.049","","","0.137","0.154","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211376","12.0407","0.0008","12.8897","0.0008","23.4746","0.0014","90","","97.177","0.001","90","","3614.7","0.4","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H27 Mo N3 O5 -","- C15 H27 Mo N3 O5 -","- C120 H216 Mo8 N24 O40 -","8","1","EZ2049","Klausmeyer, Kevin K.; Adrian, Rafael A.; Yaklin, Marsha M.","Tetraethylammonium acetonitriletricarbonyl(glycinato-κ^2^<i>N</i>,<i>O</i>)molybdenum(0)","Acta Crystallographica Section E","2006","62","12","m3368","m3369","10.1107/S1600536806047684","","","0.71073","MoKα","","0.029","0.023","","","0.055","0.057","","","","","","1.04","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211377","7.939","0.0016","5.7474","0.0011","18.736","0.004","90","","94.69","0.03","90","","852","0.3","295","2","295","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Diaquabis(4-formylbenzoato-κO)zinc(II) monohydrate","","- C16 H16 O9 Zn -","- C16 H16 O9 Zn -","- C32 H32 O18 Zn2 -","2","0.5","EZ2050","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Diaquabis(4-formylbenzoato-κ<i>O</i>)zinc(II) monohydrate","Acta Crystallographica Section E","2006","62","12","m3524","m3526","10.1107/S1600536806049828","","","0.71073","MoKα","","0.028","0.026","","","0.073","0.074","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211378","7.254","0.006","4.475","0.004","13.506","0.01","90","","98.774","0.013","90","","433.3","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Ethylisoindoline-1,3-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C20 H18 N2 O4 -","2","1","FB2023","Liang, Zu-Pei; Li, Jian","2-Ethylisoindoline-1,3-dione","Acta Crystallographica Section E","2006","62","12","o5439","o5440","10.1107/S1600536806045673","","","0.71073","MoKα","","0.0795","0.0453","","","0.0965","0.1134","","","","","","1.046","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211379","7.8023","0.0003","8.7783","0.0004","18.5532","0.001","90","","97.446","0.004","90","","1260.01","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Amino-3-iodophenyl)-1,3-benzothiazole","","- C13 H9 I N2 S -","- C13 H9 I N2 S -","- C52 H36 I4 N8 S4 -","4","1","FB2027","Wang, Wu-Shang; Gao, Min; Chen, Xiangji; Liu, Boli","2-(4-Amino-3-iodophenyl)-1,3-benzothiazole","Acta Crystallographica Section E","2006","62","12","o5668","o5669","10.1107/S1600536806048811","","","0.71073","MoKα","","0.0494","0.0295","","","0.0663","0.0716","","","","","","0.972","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211380","10.503","0.002","6.7427","0.0009","16.452","0.003","90","","94.032","0.015","90","","1162.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-Nitrobenzyl)benzene-1,2-diamine","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","FB2032","Silversides, Jon D.; Sparke, Amanda E.; Archibald, Stephen J.","<i>N</i>-(4-Nitrobenzyl)benzene-1,2-diamine","Acta Crystallographica Section E","2006","62","12","o5944","o5946","10.1107/S1600536806050136","","","0.71073","MoKα","","0.1089","0.0593","","","0.1582","0.1941","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211381","13.674","0.008","9.172","0.005","14.75","0.008","90","","116.852","0.009","90","","1650.4","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorotetrakis(1H-pyrazole-κN^2^)copper(II)","","- C12 H16 Cl2 Cu N8 -","- C12 H16 Cl2 Cu N8 -","- C48 H64 Cl8 Cu4 N32 -","4","0.5","FI2014","Han, Jing; Zhang, Bao-Li; Zhang, Xing-Jing; Zhang, Yuan-Hong; Zhou, Guang-Hua","Dichlorotetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)","Acta Crystallographica Section E","2006","62","12","m3354","m3356","10.1107/S160053680604712X","","","0.71073","MoKα","","0.051","0.049","","","0.158","0.159","","","","","","1.17","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211382","10.123","0.003","10.198","0.003","10.81","0.003","78.517","0.004","85.848","0.005","85.374","0.004","1088.2","0.5","293","2","","","","","","","","","","5","P -1","-P 1","2","","Diaqua(3,5-dinitrobenzoato)bis[4,4,5,5-tetramethyl-2-(4-pyridyl)imidazolin- 1-oxyl 3-oxide]copper(II)","","- C38 H42 Cu N10 O18 -","- C38 H42 Cu N10 O18 -","- C38 H42 Cu N10 O18 -","1","0.5","FI2016","Chen-Xi Zhang; Li-Juan An; Dong-Lan Sun","Diaqua(3,5-dinitrobenzoato)bis[4,4,5,5-tetramethyl-2-(4-pyridyl)imidazolin-1-oxyl 3-oxide]copper(II)","Acta Crystallographica Section E","2006","62","12","m3345","m3346","10.1107/S1600536806047131","","","0.71073","MoKα","","0.0899","0.0517","","","0.0921","0.1038","","","","","","1.011","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211383","8.665","0.005","17.392","0.005","18.812","0.005","90","","90","","90","","2835","2","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","catena-Poly[[[diaquacadmium(II)]-μ-2,2'-bipyridine-6,6'-dicarboxylato] dihydrate]","","- C12 H10 Cd N2 O8 -","- C12 H10 Cd N2 O8 -","- C96 H80 Cd8 N16 O64 -","8","1","FI2017","Knight, James; Amoroso, Angelo; Edwards, Peter; Ooi, Li-Ling","<i>catena</i>-Poly[[[diaquacadmium(II)]-μ-2,2'-bipyridine-6,6'-dicarboxylato] dihydrate]","Acta Crystallographica Section E","2006","62","12","m3306","m3308","10.1107/S1600536806046423","","","0.71069","MoKα","","0.081","0.05","","","0.1183","0.1313","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211384","9.5677","0.0005","9.5677","0.0005","9.5677","0.0005","90","","90","","90","","875.84","0.08","292","3","292","3","","","","","","","","4","I a -3","-I 2b 2c 3","206","Dicopper(II) cobalt(II) tellurium(VI) hexaoxide","","","- Co Cu2 O6 Te -","- Co0.999 Cu2.001 O6 Te -","- Co7.992 Cu16.008 O48 Te8 -","8","0.166667","FI2018","Becker, Richard; Berger, Helmuth","Cu~2~CoTeO~6~","Acta Crystallographica Section E","2006","62","12","i261","i262","10.1107/S1600536806049075","","","0.71073","MoKα","","0.0148","0.0143","","","0.0432","0.0433","","","","","","1.75","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2211385","10.9227","0.0003","11.2603","0.0003","11.6768","0.0002","92.561","0.002","105.098","0.001","105.397","0.001","1326.79","0.06","173","2","173","0.1","","","","","","","","6","P -1","-P 1","2","","trans-Bis[bis(diphenylphosphino)methane-κ~2~P,P']dichlororuthenium(II) dichloromethane disolvate acetone hemisolvate hemihydrate","","- C54 H52 Cl6 O2 P4 Ru -","- C54 H51 Cl6 O2 P4 Ru -","- C54 H51 Cl6 O2 P4 Ru -","1","0.5","FI2019","João Figueira; João Rodrigues; Kari Rissanen","<i>trans</i>-Bis[bis(diphenylphosphino)methane-κ^2^<i>P</i>,<i>P</i>']dichlororuthenium(II) dichloromethane disolvate acetone hemisolvate hemihydrate","Acta Crystallographica Section E","2006","62","12","m3594","m3596","10.1107/S160053680605015X","","","0.71073","MoKα","","0.0762","0.0655","","","0.1567","0.1662","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211386","4.4195","0.0008","12.28","0.002","6.7919","0.0012","90","","106.389","0.002","90","","353.63","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Europium(III) sulfate hydroxide","","- Eu H O5 S -","- Eu H O5 S -","- Eu4 H4 O20 S4 -","4","1","FI2020","Shao-Hua Ding; Xiao-Chang Sun; Ya-Lin Zhu; Qi Chen; Yan Xu","Europium(III) sulfate hydroxide","Acta Crystallographica Section E","2006","62","12","i269","i271","10.1107/S1600536806049063","","","0.71073","MoKα","","0.0248","0.0222","","","0.0507","0.052","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211387","7.6166","0.0007","12.8582","0.0012","15.9198","0.0013","90","","111.228","0.004","90","","1453.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[6-(4-Methoxy-phenyl)-7H-[1,2,4]triazolo[3,4-b] [1,3,4]thiadiazin-3-yl]-propan-1-ol","","- C14 H16 N4 O2 S -","- C14 H16 N4 O2 S -","- C56 H64 N16 O8 S4 -","4","1","FL2068","Kai-Huang Zou; Li-Xue Zhang; Jian-Yu Jin; Hong-Ping Xiao; Jing Zhang","3-[6-(4-Methoxyphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazin-3-yl]propan-1-ol","Acta Crystallographica Section E","2006","62","12","o5770","o5772","10.1107/S160053680604788X","","","0.71073","MoKα","","0.0703","0.062","","","0.132","0.1366","","","","","","1.203","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211388","6.188","0.0006","7.5476","0.0007","14.6378","0.0014","91.61","0.002","97.999","0.002","95.695","0.002","673.05","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","4-[(4-Chlorobenzylidene)amino]-3-(3-hydroxypropyl)-1,2,4-triazole-5-thione","","- C12 H13 Cl N4 O S -","- C12 H13 Cl N4 O S -","- C24 H26 Cl2 N8 O2 S2 -","2","1","FL2069","Kai-huang Zou; Li-Xue Zhang; Jian-Yu Jin; Hong-Ping Xiao; Kang Zhang","4-[(4-Chlorobenzylidene)amino]-3-(3-hydroxypropyl)-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2006","62","12","o5773","o5774","10.1107/S1600536806048057","","","0.71073","MoKα","","0.053","0.0475","","","0.1096","0.1134","","","","","","1.124","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211389","10.1225","0.0004","15.8036","0.0006","8.2249","0.0003","90","","99.562","0.001","90","","1297.47","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(4-Methoxybenzyl)phthalimide","2-(4-Methoxybenzyl)isoindoline-1,3-dione","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","FL2070","Warzecha, Klaus-Dieter; Lex, Johann; Griesbeck, Axel G.","<i>N</i>-(4-Methoxybenzyl)phthalimide: ribbons of alternating <i>R</i>(16) and <i>R</i>(22) ring motifs","Acta Crystallographica Section E","2006","62","12","o5450","o5452","10.1107/S1600536806046149","","","0.71073","MoKα","","0.0833","0.0411","","","0.0831","0.0954","","","","","","0.969","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211390","4.7477","0.0009","11.415","0.002","16.798","0.003","90","","90","","90","","910.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-2-[(1,2,3-Thiadiazol-5-yl)iminomethyl]phenol","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C36 H28 N12 O4 S4 -","4","1","FL2071","Gao, Jin-Sheng; Zhang, Shuang; Hou, Guang-Feng; Hou, Yan-Jun; Yan, Peng-Fei","(<i>E</i>)-2-[(1,2,3-Thiadiazol-5-yl)iminomethyl]phenol","Acta Crystallographica Section E","2006","62","12","o5462","o5463","10.1107/S1600536806046150","","","0.71073","MoKα","","0.0356","0.0286","","","0.0748","0.0896","","","","","","1.167","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211391","8.3628","0.0017","9.6991","0.0019","11.635","0.002","90.89","0.03","98.02","0.03","92.96","0.03","933","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-N'-[3-Methoxy-4-(4-nitrobenzyloxy)benzylidene]thiophene-2-carbohydrazide","","- C20 H17 N3 O5 S -","- C20 H17 N3 O5 S -","- C40 H34 N6 O10 S2 -","2","1","FL2072","Diao, Chun-Hua; Yu, Ming","(<i>E</i>)-<i>N</i>'-[3-Methoxy-4-(4-nitrobenzyloxy)benzylidene]thiophene-2-carbohydrazide","Acta Crystallographica Section E","2006","62","12","o5441","o5442","10.1107/S1600536806046162","","","0.71073","MoKα","","0.0738","0.0475","","","0.1135","0.125","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211392","10.318","0.002","10.751","0.002","11.491","0.002","64.37","0.03","76.09","0.03","68.77","0.03","1065.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,6-Dimethyl-4-(p-nitrophenyl)-1,4-dihydropyridine- 3,5-dicarboxylate 3-benzotriazol-1-yl ester 5-methyl ester","3-benzotriazol-1-yl 5-methyl 2,6-dimethyl-4-(p-nitrophenyl)-1,4-dihydropyridine- 3,5-dicarboxylate","","- C22 H19 N5 O6 -","- C22 H19 N5 O6 -","- C44 H38 N10 O12 -","2","1","FL2073","Sun, Feng-Xia; Du, Hong-Xia; Wang, Shuai; Xing, Cui-Juan","3-Benzotriazol-1-yl 5-methyl 2,6-dimethyl-4-(<i>p</i>-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","12","o5734","o5735","10.1107/S1600536806047933","","","0.71073","MoKα","","0.1078","0.0579","","","0.1247","0.1468","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211393","8.5208","0.0006","10.2582","0.0008","26.8066","0.0018","90","","90","","90","","2343.1","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cinchoninium 3-Carboxybenzoate","","- C27 H28 N2 O5 -","- C27 H28 N2 O5 -","- C108 H112 N8 O20 -","4","1","FL2074","Kui-Wu Wang; Hui-Min Zhang; Bo-Jun Zheng; li Peng; Zhi-Min Jin","Cinchoninium hydrogen isophthalate at 153K","Acta Crystallographica Section E","2006","62","12","o5791","o5793","10.1107/S1600536806048070","","","0.71073","MoKα","","0.0561","0.0486","","","0.1193","0.1243","","","","","","1.007","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211394","8.107","0.0019","9.486","0.002","12.581","0.002","79.41","0.02","82.347","0.016","64.909","0.016","859.6","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","quinolinium picrylsulfonate","quinolinium 2,4,6-trinitrobenzenesulfonate'","","- C15 H10 N4 O9 S -","- C15 H10 N4 O9 S -","- C30 H20 N8 O18 S2 -","2","1","FL2075","Graham Smith; Urs D. Wermuth; Peter C. Healy","Anhydrous quinolinium 2,4,6-trinitrobenzenesulfonate","Acta Crystallographica Section E","2006","62","12","o5510","o5512","10.1107/S1600536806046447","","","0.71073","MoKα","","0.0821","0.0378","","","0.0949","0.1114","","","","","","0.95","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211395","26.036","0.011","12.697","0.005","10.235","0.004","90","","100.941","0.007","90","","3322","2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ciprofloxacin hemi-methanolate","1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3- carboxylate methanol hemisolvate","","- C17.5 H20 F N3 O3.5 -","- C17.5 H20 F N3 O3.5 -","- C140 H160 F8 N24 O28 -","8","1","FL2076","X. Li; Y. Hu; Y. Gao; G. G. Z. Zhang; R. F. Henry","A methanol hemisolvate of ciprofloxacin","Acta Crystallographica Section E","2006","62","12","o5803","o5805","10.1107/S1600536806049087","","","0.71073","MoKα","","0.0623","0.0496","","","0.1255","0.1319","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2211396","14.273","0.003","17.066","0.003","12.958","0.003","90","","95.25","0.03","90","","3143.1","1.1","85","2","85","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","rac-Hatomarubigin C","(1<i>R</i>*,3<i>R</i>*)-1,11-dihydroxy-8-methoxy-3-methyl-1,2,3,4- tetrahydrobenz[<i>a</i>]anthracene-7,11-dione","","- C20 H18 O5 -","- C20 H18 O5 -","- C160 H144 O40 -","8","2","FL2077","Larsen, David S.; Osman, Hasnah; Caygill, Graham B.; McFarlane, Brett S.; McMorran, David A.","<i>rac</i>-Hatomarubigin C","Acta Crystallographica Section E","2006","62","12","o5748","o5750","10.1107/S1600536806049099","","","0.71073","MoKα","","0.0602","0.0456","","","0.111","0.1208","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211397","7.4264","0.0006","8.9074","0.0006","15.8018","0.0014","90","","90","","90","","1045.29","0.14","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans-1,4-Diaminocyclohexane dihydrobromide","","- C6 H16 Br2 N2 -","- C6 H16 Br2 N2 -","- C24 H64 Br8 N8 -","4","0.5","FL2078","Rademeyer, Melanie","<i>trans</i>-Cyclohexane-1,4-diammonium dibromide","Acta Crystallographica Section E","2006","62","12","o5767","o5769","10.1107/S1600536806047908","","","0.71073","MoKα","","0.0832","0.049","","","0.1013","0.1133","","","","","","1.078","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211398","7.442","0.0015","15.092","0.003","18.353","0.004","89.48","0.03","82.2","0.03","88.21","0.03","2041.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl{2-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7- yloxy]ethyl}ammonium chloride","","- C21 H24 Cl N O5 -","- C21 H24 Cl N O5 -","- C84 H96 Cl4 N4 O20 -","4","2","FL2079","Zhang, Li-Na; Shi, Lei; Xiao, Zhu-Ping","Diethyl{2-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4<i>H</i>-chromen-7-yloxy]ethyl}ammonium chloride","Acta Crystallographica Section E","2006","62","12","o5811","o5813","10.1107/S1600536806049300","","","0.71073","MoKα","","0.1285","0.075","","","0.1852","0.2253","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211399","9.5306","0.0003","8.8206","0.0003","15.5518","0.0005","90","","105.963","0.001","90","","1256.96","0.07","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,5-diamino-thiophene-3,4-dicarboxylic acid diethyl ester","diethyl 2,5-diaminothiophene-3,4-dicarboxylate","","- C10 H14 N2 O4 S -","- C10 H14 N2 O4 S -","- C40 H56 N8 O16 S4 -","4","1","GA2015","Bourgeaux, Marie; Vomsheid, Sophie; Skene, W. G.","Hydrogen-bonded network of diethyl 2,5-diaminothiophene-3,4-dicarboxylate","Acta Crystallographica Section E","2006","62","12","o5529","o5531","10.1107/S160053680604606X","","","1.54178","CuKα","","0.0447","0.042","","","0.1225","0.1255","","","","","","1.071","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211400","8.045","0.002","9.39","0.002","10.419","0.003","72.77","0.01","77.68","0.01","69.49","0.01","698.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Aniline derivative","Ethyl 2-acetyl-3-anilinobutanoate","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C28 H38 N2 O6 -","2","1","GG2008","S. Priya; S. Sinha; V. Vijayakumar; T. Narasimhamurthy; T. Vijay; R. S. Rathore","Ethyl 2-acetyl-3-anilinobutanoate","Acta Crystallographica Section E","2006","62","12","o5367","o5368","10.1107/S1600536806044588","","","0.71073","MoKα","","0.099","0.0521","","","0.1145","0.1351","","","","","","1.015","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211401","27.1668","0.0007","19.3139","0.0004","22.8444","0.0005","90","","109.361","0.002","90","","11308.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ~3~-Oxo-hexa-μ~2~-pivalato-(pivalic acid-κO)bis(pyridine- κN)trimanganese(III,III,II)","","- C45 H74 Mn3 N2 O15 -","- C45 H74 Mn3 N2 O15 -","- C360 H592 Mn24 N16 O120 -","8","2","GG2014","Sarı, Musa; Poyraz, Mehmet; Büyükgüngör, Orhan","μ~3~-Oxo-hexa-μ~2~-pivalato-(pivalic acid-κ<i>O</i>)bis(pyridine-κ<i>N</i>)trimanganese(III,III,II)","Acta Crystallographica Section E","2006","62","12","m3439","m3441","10.1107/S1600536806048343","","","0.71073","MoKα","","0.1026","0.0571","","","0.1232","0.123","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211402","9.053","0.0018","25.769","0.005","11.864","0.002","90","","92.57","0.03","90","","2764.9","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 3,5-diacetoxy-4-methoxybenzoate","","- C13 H14 O7 -","- C13 H14 O7 -","- C104 H112 O56 -","8","2","GH2012","Zhang, Hua-Wei; Xiao, Zhu-Ping; Cao, Ping; Li, Yu-Guang","Methyl 3,5-diacetoxy-4-methoxybenzoate","Acta Crystallographica Section E","2006","62","12","o5799","o5800","10.1107/S160053680604918X","","","0.71073","MoKα","","0.1656","0.0733","","","0.1561","0.2076","","","","","","1.054","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211403","6.2701","0.0005","19.948","0.002","10.672","0.001","90","","102.18","0.008","90","","1304.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (E)-3-(5-cyano-2-furyl)-2-phenylacrylate","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","GK2028","Mrvoš-Sermek, Draginja; Starčević, Kristina; Karminski-Zamola, Grace","Methyl (<i>E</i>)-3-(5-cyano-2-furyl)-2-phenylacrylate","Acta Crystallographica Section E","2006","62","12","o5490","o5491","10.1107/S1600536806046356","","","0.71073","MoKα","","0.0644","0.0578","","","0.1356","0.1394","","","","","","1.124","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211404","8.1938","0.0005","16.0605","0.0009","10.6108","0.0006","90","","94.353","0.001","90","","1392.32","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(phenoxyacetato-κO)bis[2-(2-pyridyl)ethanol-κ^2^N,O]cobalt(II)","","- C30 H32 Co N2 O8 -","- C30 H32 Co N2 O8 -","- C60 H64 Co2 N4 O16 -","2","0.5","GK2030","Jiang, Guo-Qing; Gu, Xue-Fang; Zhang, Yue-Hua; Shi, Yu-Jun","Bis(phenoxyacetato-κ<i>O</i>)bis[2-(2-pyridyl)ethanol-κ^2^<i>N</i>,<i>O</i>]cobalt(II)","Acta Crystallographica Section E","2006","62","12","m3349","m3350","10.1107/S1600536806047325","","","0.71073","MoKα","","0.0437","0.0309","","","0.064","0.0681","","","","","","0.958","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211405","10.187","0.004","10.752","0.004","18.285","0.007","105.729","0.007","96.342","0.007","91.138","0.008","1913.4","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","","- C34 H31 N2 Ni O3 S10 -","- C34 H31 N2 Ni O3 S10 -","- C68 H62 N4 Ni2 O6 S20 -","2","1","GK2032","Yuji Soneta; Shigeaki Sakamoto; Kazuo Miyamura","9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","Acta Crystallographica Section E","2006","62","12","m3448","m3450","10.1107/S1600536806048148","","","0.71073","MoKα","","0.1352","0.0878","","","0.27","0.2867","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211406","7.8039","0.0001","10.172","0.0002","13.4728","0.0002","81.959","0.001","85.029","0.001","77.786","0.001","1033.2","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquaazido(3,5-diaminobenzoato-κN)(1,10-phenanthroline-κ^2^N,N')zinc(II) monohydrate","","- C19 H21 N7 O5 Zn -","- C19 H21 N7 O5 Zn -","- C38 H42 N14 O10 Zn2 -","2","1","GK2034","Ming-Xing Li; Hong-Jian Zhao; Min Shao; Zhi-Xin Miao; Shou-Rong Zhou","Diaquaazido(3,5-diaminobenzoato-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) monohydrate","Acta Crystallographica Section E","2006","62","12","m3165","m3166","10.1107/S1600536806044710","","","0.71073","MoKα","","0.0281","0.0247","","","0.0654","0.0668","","","","","","1.072","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211407","12.369","0.001","11.964","0.001","12.844","0.001","90","","90","","90","","1900.7","0.3","106","2","106","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","NDSB-195","ethyldimethylammoniopropane sulfonate","","- C7 H17 N O3 S -","- C7 H17 N O3 S -","- C56 H136 N8 O24 S8 -","8","1","GK2041","Katarzyna D. Koclega; Maksymilian Chruszcz; Wladek Minor","3-(Ethyldimethylammonio)propanesulfonate","Acta Crystallographica Section E","2006","62","12","o5757","o5759","10.1107/S1600536806048069","","","1.54179","CuKα","","0.0368","0.0339","","","0.0899","0.092","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211408","10.433","0.002","6.275","0.001","11.894","0.002","90","","110.388","0.002","90","","729.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-Poly[silver(I)-μ~3~-5-phenyl-1,2,3,4-tetrazolato-κ^3^N^1^:N^2^:N^3^]","","- C7 H5 Ag N4 -","- C7 H5 Ag N4 -","- C28 H20 Ag4 N16 -","4","1","GK2043","Zhang, Xiu-Ling; Qiu, Yue; Ng, Seik Weng","<i>catena</i>-Poly[silver(I)-μ~3~-5-phenyl-1,2,3,4-tetrazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^]","Acta Crystallographica Section E","2006","62","12","m3539","m3540","10.1107/S160053680605029X","","","0.71073","MoKα","","0.05","0.036","","","0.085","0.092","","","","","","0.98","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211409","5.087","0.001","8.713","0.001","13.74","0.001","90","","99.11","0.01","90","","601.32","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trisilver niobium niobate tetraoxide bis(arsenate)","","- Ag3 As2 Nb3 O14 -","- Ag2.994 As2 Nb3 O14 -","- Ag5.988 As4 Nb6 O28 -","2","0.5","HB2153","Ben Amor, Rym; Zid, Mohamed Faouzi","Ag~3~Nb(NbO)~2~O~4~(AsO~4~)~2~","Acta Crystallographica Section E","2006","62","12","i238","i240","10.1107/S160053680604462X","","","0.71073","MoKα","","0.0371","0.0316","","","0.0827","0.0856","","","","","","1.123","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211410","10.8757","0.0004","8.2302","0.0005","34.9645","0.0013","90","","101.144","0.003","90","","3070.6","0.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Chloro-2-[(4-phenylthiazol-2-yl)hydrazonomethyl]phenol","","- C16 H12 Cl N3 O S -","- C16 H12 Cl N3 O S -","- C128 H96 Cl8 N24 O8 S8 -","8","2","HB2155","Cemile Daĝ; Hümeyra Paşaoĝlu; Çiĝdem Yüksektepe; Alaaddin Cukurovali; Ebru Murat","4-Chloro-2-[(4-phenylthiazol-2-yl)hydrazonomethyl]phenol: a polymorph with <i>Z</i>' = 2","Acta Crystallographica Section E","2006","62","12","o5365","o5366","10.1107/S1600536806045028","","","0.71073","MoKα","","0.0729","0.0457","","","0.1067","0.1226","","","","","","0.993","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211411","9.144","0.003","16.343","0.004","12.976","0.004","90","","102.13","0.03","90","","1895.8","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyltriphenylphosphonium hexachlororhenate(IV)","","- C38 H36 Cl6 P2 Re -","- C38 H36 Cl6 P2 Re -","- C76 H72 Cl12 P4 Re2 -","2","0.5","HB2169","Hołyńska, Małgorzata; Korabik, Maria; Lis, Tadeusz","Methyltriphenylphosphonium hexachlororhenate(IV)","Acta Crystallographica Section E","2006","62","12","m3178","m3180","10.1107/S1600536806042425","","","0.71073","MoKα","","0.1206","0.0586","","","0.0756","0.0879","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211412","8.7555","0.0012","12.272","0.0014","14.256","0.002","90","","101.513","0.012","90","","1501","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(5-chloro-2-methyl-3-thienyl)cyclopentene","","- C15 H14 Cl2 S2 -","- C15 H14 Cl2 S2 -","- C60 H56 Cl8 S8 -","4","1","HB2173","Wissler, Jörg; Mulder, Alart; Tampé, Robert; Bolte, Michael","1,2-Bis(5-chloro-2-methyl-3-thienyl)cyclopentene","Acta Crystallographica Section E","2006","62","12","o5649","o5650","10.1107/S1600536806042929","","","0.71073","MoKα","","0.0428","0.029","","","0.067","0.0698","","","","","","0.869","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211413","13.1106","0.0009","19.6822","0.0013","16.8314","0.0011","90","","96.627","0.002","90","","4314.2","0.5","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{N-[(Z)-4-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4- ylidene)(phenyl)methyl]naphthylamido-κ^2^N,O}iron(II)","","- C54 H40 Fe N6 O2 -","- C54 H40 Fe N6 O2 -","- C216 H160 Fe4 N24 O8 -","4","1","HB2174","Ma, Rong-Ming; Sun, Shao-Fa; Bao, Feng","Bis{<i>N</i>-[(<i>Z</i>)-4-(3-methyl-5-oxo-1-phenyl-1<i>H</i>-pyrazol-4-ylidene)(phenyl)methyl]naphthylamido-κ^2^<i>N</i>,<i>O</i>}iron(II)","Acta Crystallographica Section E","2006","62","12","m3170","m3171","10.1107/S1600536806044667","","","0.71073","MoKα","","0.1452","0.0597","","","0.1137","0.1452","","","","","","0.817","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211414","9.494","0.0011","10.787","0.0013","13.847","0.0017","110.536","0.001","105.588","0.001","93.947","0.001","1258","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","4,5-Bis{2-[(benzothiazol-2-yl)sulfanyl]ethylsulfanyl}-1,3-dithiole-2-thione","","- C21 H16 N2 S9 -","- C21 H16 N2 S9 -","- C42 H32 N4 S18 -","2","1","HB2176","Jun-Qing Chen; Pu-Zhou Hu; Jian-Ge Wang; Gui-Rong Qu; Bang-Tun Zhao","4,5-Bis{2-[(benzothiazol-2-yl)sulfanyl]ethylsulfanyl}-1,3-dithiole-2-thione","Acta Crystallographica Section E","2006","62","12","o5469","o5471","10.1107/S1600536806045545","","","0.71073","MoKα","","0.0584","0.0367","","","0.0798","0.0916","","","","","","1.011","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211415","25.2247","0.0009","11.6583","0.0004","13.7668","0.0005","90","","114.918","0.004","90","","3671.6","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(guanidinium) hexahydroxooctadecaoxodisodiohexamolybdonickelate decahydrate","","- C2 H38 Mo6 N6 Na2 Ni O34 -","- C2 H38 Mo6 N6 Na2 Ni O34 -","- C8 H152 Mo24 N24 Na8 Ni4 O136 -","4","0.5","HB2182","Bo Liu; Shi Zhou; Chuan-Bi Li; Hong-Gang Zhang","Bis(guanidinium) hexahydroxooctadecaoxodisodiohexamolybdonickelate decahydrate","Acta Crystallographica Section E","2006","62","12","m3185","m3187","10.1107/S160053680604503X","","","0.71073","MoKα","","0.0266","0.0235","","","0.0584","0.0597","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211416","7.1305","0.0007","14.0039","0.0014","14.7479","0.0015","90","","102.874","0.001","90","","1435.6","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[bis(imidazolium) hexahydroxooctadecaoxodisodiohexamolybdonickelate dihydrate]","","- C6 H20 Mo6 N4 Na2 Ni O26 -","- C6 H20 Mo6 N4 Na2 Ni O26 -","- C12 H40 Mo12 N8 Na4 Ni2 O52 -","2","0.5","HB2183","Bo Liu; Shi Zhou; Chuan-Bi Li; Hong-Gang Zhang","Poly[bis(imidazolium) hexahydroxooctadecaoxodisodiohexamolybdonickelate dihydrate]","Acta Crystallographica Section E","2006","62","12","m3188","m3190","10.1107/S1600536806045168","","","0.71073","MoKα","","0.0299","0.0283","","","0.0686","0.0694","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211417","12.3869","0.0019","4.8699","0.0007","7.9917","0.0013","90","","111.953","0.015","90","","447.13","0.13","292","3","292","3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Copper(II) diselenium(IV) pentaoxide","","- Cu O5 Se2 -","- Cu O5 Se2 -","- Cu4 O20 Se8 -","4","0.5","HB2184","Becker, Richard; Berger, Helmuth","Reinvestigation of CuSe~2~O~5~","Acta Crystallographica Section E","2006","62","12","i256","i257","10.1107/S1600536806048045","","","0.71073","MoKα","","0.0333","0.0276","","","0.0684","0.0701","","","","","","0.989","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211418","8.6818","0.0017","7.8022","0.0016","30.968","0.006","90","","95.27","0.03","90","","2088.8","0.7","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[aqua(dipyrido[3,2-a:2',3'-c]phenazine)cobalt(II)]-μ-succinato] monohydrate]","","- C22 H18 Co N4 O6 -","- C22 H18 Co N4 O6 -","- C88 H72 Co4 N16 O24 -","4","1","HB2186","Chun-Ling Liu; Ren-Zhang Wang; Shou-Cai Zhang","<i>catena</i>-Poly[[[aqua(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)cobalt(II)]-μ-succinato] monohydrate]","Acta Crystallographica Section E","2006","62","12","m3167","m3169","10.1107/S1600536806045260","","","0.71073","MoKα","","0.1065","0.0739","","","0.1873","0.2105","","","","","","1.044","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2211419","8.428","0.002","10.138","0.003","12.629","0.003","69.136","0.004","84.967","0.004","71.163","0.004","953.8","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(5-Formyl-2-methoxyphenoxy)acetonitrile","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","2","HB2187","Han, Jian-Rong; Zhen, Xiao-Li; Tian, Xia; Liu, Shou-Xin","2-(5-Formyl-2-methoxyphenoxy)acetonitrile","Acta Crystallographica Section E","2006","62","12","o5427","o5428","10.1107/S160053680604640X","","","0.71073","MoKα","","0.0775","0.0448","","","0.1073","0.1297","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211420","12.479","0.002","14.978","0.002","29.272","0.003","90","","90","","90","","5471.2","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium benzoate trihydrate","","- C30 H38 N2 O9 -","- C30 H38 N2 O9 -","- C240 H304 N16 O72 -","8","2","HB2188","Agata Białońska; Zbigniew Ciunik","Brucinium benzoate trihydrate","Acta Crystallographica Section E","2006","62","12","o5817","o5819","10.1107/S160053680604829X","","","0.71073","MoKα","","0.12","0.0825","","","0.1228","0.1343","","","","","","1.185","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2211421","10.461","0.002","14.671","0.003","18.059","0.004","90","","102.96","0.03","90","","2701","1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-Dichlorobis(diphenyl selenide)platinum(II) tetrahydrofuran solvate","","- C28 H28 Cl2 O Pt Se2 -","- C28 H28 Cl2 O Pt Se2 -","- C112 H112 Cl8 O4 Pt4 Se8 -","4","1","HB2189","Risto, Maarit; Kantola, Sanna; Oilunkaniemi, Raija; Laitinen, Risto S.","<i>cis</i>-Dichlorobis(diphenyl selenide)platinum(II) tetrahydrofuran solvate","Acta Crystallographica Section E","2006","62","12","m3442","m3444","10.1107/S160053680604846X","","","0.71073","MoKα","","0.0356","0.0319","","","0.0855","0.0883","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211422","6.8711","0.0014","14.01","0.003","14.915","0.003","90","","90","","90","","1435.8","0.5","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(N,N-dimethylacetamide)(μ~5~-naphthalene-1,4-dicarboxylato)cadmium(II)]","","- C16 H15 Cd N O5 -","- C16 H15 Cd N O5 -","- C64 H60 Cd4 N4 O20 -","4","1","HB2191","Rong-Chang Zhang","Poly[(<i>N</i>,<i>N</i>-dimethylacetamide)(μ~5~-naphthalene-1,4-dicarboxylato)cadmium(II)]","Acta Crystallographica Section E","2006","62","12","m3312","m3314","10.1107/S1600536806046642","","","0.71073","MoKα","","0.0324","0.0282","","","0.0639","0.0671","","","","","","1.077","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211423","5.6497","0.0006","7.841","0.0009","13.2882","0.0015","73.02","0.001","84.913","0.001","69.454","0.001","527.12","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[N-(2-Aminoethyl)-4-methylbenzenesulfonamidato]copper(II)","","- C18 H26 Cu N4 O4 S2 -","- C18 H26 Cu N4 O4 S2 -","- C18 H26 Cu N4 O4 S2 -","1","0.5","HB2192","Man-Cheng Hu; Xiao-Yun Wei; Shuni Li","Bis[<i>N</i>-(2-aminoethyl)-4-methylbenzenesulfonamidato]copper(II)","Acta Crystallographica Section E","2006","62","12","m3265","m3266","10.1107/S1600536806046381","","","0.71073","MoKα","","0.0392","0.037","","","0.1111","0.1152","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211424","10.165","0.011","16.752","0.018","7.874","0.009","90","","92.54","0.02","90","","1339","3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorobenzyloxy)-4-methoxybenzaldehyde","","- C15 H13 Cl O3 -","- C15 H13 Cl O3 -","- C60 H52 Cl4 O12 -","4","1","HB2193","Diao, Chun-Hua; Fan, Zhi","3-(4-Chlorobenzyloxy)-4-methoxybenzaldehyde","Acta Crystallographica Section E","2006","62","12","o5499","o5500","10.1107/S1600536806046873","","","0.71073","MoKα","","0.1117","0.047","","","0.0918","0.1114","","","","","","1.018","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211425","6.39","0.0013","5.038","0.001","19.255","0.004","90","","97.98","0.03","90","","613.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol","","- C14 H9 Cl N2 O2 -","- C14 H9 Cl N2 O2 -","- C28 H18 Cl2 N4 O4 -","2","1","HB2194","Ding, Wei-Lin; Shen, Yong-Mei; Xing, Zhi-Tao; Wang, Pin-Liang; Wang, Hai-Bo","2-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol","Acta Crystallographica Section E","2006","62","12","o5592","o5593","10.1107/S1600536806047052","","","0.71073","MoKα","","0.0909","0.0529","","","0.118","0.1397","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211426","7.752","0.003","9.025","0.004","11.638","0.005","71.559","0.007","87.746","0.007","79.326","0.007","758.9","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","4-Bromo-2-formyl-6-methoxyphenyl 4-methylbenzenesulfonate","","- C15 H13 Br O5 S -","- C15 H13 Br O5 S -","- C30 H26 Br2 O10 S2 -","2","1","HB2195","Zhao, Yan-Li; Zhang, Qiao-Zhen; Chen, Xin; Yu, Ming","4-Bromo-2-formyl-6-methoxyphenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2006","62","12","o5578","o5579","10.1107/S1600536806047167","","","0.71073","MoKα","","0.0563","0.0348","","","0.0732","0.0832","","","","","","1.054","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211427","7.9685","0.0015","18.584","0.003","14.205","0.003","90","","91.045","0.004","90","","2103.2","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-Methoxy-N'-[(3-methoxy-4-benzoyloxy)benzylidene]benzohydrazide monohydrate","","- C23 H22 N2 O6 -","- C23 H22 N2 O6 -","- C92 H88 N8 O24 -","4","1","HB2196","Han, Jian-Rong; Wang, Xiao-Feng; Zhen, Xiao-Li; Tian, Xia; Liu, Shou-Xin","(<i>E</i>)-<i>N</i>'-(4-Benzoyloxy-3-methoxybenzylidene)-2-methoxybenzohydrazide monohydrate","Acta Crystallographica Section E","2006","62","12","o5572","o5573","10.1107/S1600536806047519","","","0.71073","MoKα","","0.1391","0.0467","","","0.0909","0.1142","","","","","","1.027","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211428","8.8399","0.0009","9.6529","0.0008","9.7154","0.0007","107.743","0.007","104.709","0.007","110.791","0.008","674.38","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Pyridyl)pyridinium triiodide","","- C10 H9 I3 N2 -","- C10 H9 I3 N2 -","- C20 H18 I6 N4 -","2","1","HB2197","Kochel, Andrzej","4-(4-Pyridyl)pyridinium triiodide","Acta Crystallographica Section E","2006","62","12","o5605","o5606","10.1107/S1600536806047623","","","0.71073","MoKα","","0.0697","0.036","","","0.0708","0.0788","","","","","","0.915","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2211429","8.036","0.0016","11.692","0.002","12.78","0.003","66.93","0.03","85.56","0.03","81.18","0.03","1091.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-(2,6-Dimethylphenyl)-2-{2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol- 5-yl]phenoxy}acetamide","","- C25 H23 N3 O4 -","- C25 H23 N3 O4 -","- C50 H46 N6 O8 -","2","1","HB2198","Ding, Wei-Lin; Tan, Shu-Bo; Xing, Zhi-Tao; Wang, Pin-Liang; Wang, Hai-Bo","<i>N</i>-(2,6-Dimethylphenyl)-2-{2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide","Acta Crystallographica Section E","2006","62","12","o5574","o5575","10.1107/S1600536806047350","","","0.71073","MoKα","","0.0935","0.0586","","","0.1538","0.1691","","","","","","1.068","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211430","6.4962","0.0008","9.7585","0.0012","11.0145","0.0014","105.27","0.002","103.908","0.002","106.532","0.002","607.06","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Tetraaqua(diisonicotinamide)cobalt(II) terephthalate dihydrate","","- C20 H28 Co N4 O12 -","- C20 H28 Co N4 O12 -","- C20 H28 Co N4 O12 -","1","0.5","HB2199","Guang-Gang Gao; Bo Liu; Chuan-Bi Li; Guang-Bo Che","Tetraaquabis(isonicotinamide-κ<i>N</i>)cobalt(II) terephthalate dihydrate","Acta Crystallographica Section E","2006","62","12","m3357","m3358","10.1107/S1600536806047763","","","0.71073","MoKα","","0.0397","0.0357","","","0.0723","0.0751","","","","","","1.021","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2211431","11.171","0.003","13.464","0.004","15.414","0.004","69.656","0.005","86.978","0.005","88.595","0.006","2170.7","1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(dl)-5-(2,4-dichlorophenyl)-3-(2-naphthyl)-1-phenyl-2-pyrazoline dicholromethane 0.25-solvate","","- C25.25 H18.5 Cl2.5 N2 -","- C25.25 H18.5 Cl2.5 N2 -","- C101 H74 Cl10 N8 -","4","2","HB2203","Lu, Zhi-Ke; Yu, Jiang-Fan; Huang, Peng-Mian","Racemic 5-(2,4-dichlorophenyl)-3-(2-naphthyl)-1-phenyl-2-pyrazoline dichloromethane 0.25-solvate","Acta Crystallographica Section E","2006","62","12","o5755","o5756","10.1107/S160053680604877X","","","0.71073","MoKα","","0.1447","0.0525","","","0.1061","0.1421","","","","","","0.982","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211432","16.952","0.003","7.4311","0.0012","19.699","0.003","90","","100.691","0.003","90","","2438.4","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-[4-(2,4-Dichlorobenzyloxy)-3-methoxybenzylideneamino]-1,5-dimethyl- 2-phenyl-1H-pyrazol-3(2H)-one","","- C26 H23 Cl2 N3 O3 -","- C26 H23 Cl2 N3 O3 -","- C104 H92 Cl8 N12 O12 -","4","1","HB2205","Zhen, Xiao-Li; Han, Jian-Rong; Tian, Xia; Li, Zhen-Chao; Liu, Shou-Xin","(<i>E</i>)-4-[4-(2,4-Dichlorobenzyloxy)-3-methoxybenzylideneamino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5641","o5642","10.1107/S1600536806048628","","","0.71073","MoKα","","0.0985","0.0495","","","0.1201","0.1504","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211433","7.507","0.004","24.436","0.015","8.386","0.005","90","","109.945","0.009","90","","1446.1","1.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2,4-Dichlorobenzyloxy)-3-methoxybenzaldehyde","","- C15 H12 Cl2 O3 -","- C15 H12 Cl2 O3 -","- C60 H48 Cl8 O12 -","4","1","HB2206","Liu, Shou-Xin; Han, Jian-Rong; Zhen, Xiao-Li; Tian, Xia","4-(2,4-Dichlorobenzyloxy)-3-methoxybenzaldehyde","Acta Crystallographica Section E","2006","62","12","o5643","o5644","10.1107/S160053680604863X","","","0.71073","MoKα","","0.1015","0.0436","","","0.0873","0.1041","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211434","8.6442","0.0002","11.0246","0.0003","12.0034","0.0003","64.565","0.001","73.311","0.002","68.007","0.001","946.9","0.04","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","4,4-Difluoro-3-[(4-methoxyphenyl)styryl]-1,5,7,8-tetramethyl-4-bora-3a,4a- diaza-s-indacene","","- C22 H23 B F2 N2 O -","- C22 H23 B F2 N2 O -","- C44 H46 B2 F4 N4 O2 -","2","1","HB2208","Dong-Chuan Wang; Xiao-Jun Peng; Ai-Jun Cui; Cheng He; Jiang-Li Fan","4,4-Difluoro-3-[(4-methoxyphenyl)styryl]-1,5,7,8-tetramethyl-4-bora-3a,4a-diaza-<i>s</i>-indacene","Acta Crystallographica Section E","2006","62","12","o5789","o5790","10.1107/S1600536806049336","","","0.71073","MoKα","","0.0495","0.0443","","","0.1267","0.1315","","","","","","1.066","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211435","6.511","0.0013","5.172","0.001","18.763","0.004","90","","99.14","0.03","90","","623.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]phenol","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C30 H24 N4 O4 -","2","1","HB2209","Ding, Wei-Lin; Xing, Zhi-Tao; Wang, Pin-Liang; Wang, Hai-Bo; Shen, Yong-Mei","2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]phenol","Acta Crystallographica Section E","2006","62","12","o5840","o5841","10.1107/S1600536806049361","","","0.71073","MoKα","","0.1041","0.0629","","","0.1515","0.1808","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211436","7.456","0.003","24.85","0.009","8.37","0.003","90","","114.616","0.006","90","","1409.9","0.9","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2,4-Dichlorobenzyloxy)-4-methoxybenzaldehyde","","- C15 H12 Cl2 O3 -","- C15 H12 Cl2 O3 -","- C60 H48 Cl8 O12 -","4","1","HB2210","Zhen, Xiao-Li; Han, Jian-Rong; Tian, Xia; Li, Zhen-Chao; Liu, Shou-Xin","3-(2,4-Dichlorobenzyloxy)-4-methoxybenzaldehyde","Acta Crystallographica Section E","2006","62","12","o5763","o5764","10.1107/S1600536806049312","","","0.71073","MoKα","","0.1151","0.062","","","0.1119","0.1316","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211437","16.56","0.004","6.967","0.0019","19.771","0.005","90","","100.601","0.005","90","","2242.1","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-[4-(2,4-Dichlorobenzyloxy)benzylideneamino]-1,5-dimethyl-2-phenyl- 1H-pyrazol-3(2H)-one","","- C25 H21 Cl2 N3 O2 -","- C25 H21 Cl2 N3 O2 -","- C100 H84 Cl8 N12 O8 -","4","1","HB2211","Liu, Shou-Xin; Han, Jian-Rong; Zhen, Xiao-Li; Tian, Xia","(<i>E</i>)-4-[4-(2,4-Dichlorobenzyloxy)benzylideneamino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5765","o6766","10.1107/S1600536806049324","","","0.71073","MoKα","","0.171","0.0484","","","0.091","0.1281","","","","","","0.994","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211438","31.852","0.013","9.772","0.004","13.657","0.006","90","","99.285","0.007","90","","4195","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[(2-(2-furyl)-1H-imidazo[4,5-f][1,10]phenanthroline)zinc(II)]- μ-benzene-1,2-dicarboxylato]","","- C25 H14 N4 O5 Zn -","- C25 H14 N4 O5 Zn -","- C200 H112 N32 O40 Zn8 -","8","1","HB2213","Chuan-Bi Li; Yan-Wei Li; Wei Fang; Bo Liu","<i>catena</i>-Poly[[[2-(2-furyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline]zinc(II)]-μ-benzene-1,2-dicarboxylato]","Acta Crystallographica Section E","2006","62","12","m3541","m3543","10.1107/S1600536806049592","","","0.71073","MoKα","","0.0963","0.0501","","","0.1272","0.1591","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211439","19.849","0.003","19.849","0.003","10.34","0.002","90","","90","","120","","3528","1","294","2","294","2","","","","","","","","4","R 3 :H","R 3","146","","4-4-(2,4-Dichlorobenzyloxy)-3-ethoxybenzaldehyde","","- C16 H14 Cl2 O3 -","- C16 H14 Cl2 O3 -","- C144 H126 Cl18 O27 -","9","1","HB2214","Zhen, Xiao-Li; Han, Jian-Rong; Wang, Qun-Tao; Tian, Xia; Liu, Shou-Xin","4-(2,4-Dichlorobenzyloxy)-3-ethoxybenzaldehyde","Acta Crystallographica Section E","2006","62","12","o5794","o5795","10.1107/S1600536806049671","","","0.71073","MoKα","","0.0502","0.0294","","","0.0709","0.0833","","","","","","1.017","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211440","10.749","0.002","12.763","0.003","14.629","0.003","90","","110.798","0.003","90","","1876.2","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Acetyl-5-(2,6-dichlorophenyl)-3-(2-naphthyl)-2-pyrazoline","","- C21 H16 Cl2 N2 O -","- C21 H16 Cl2 N2 O -","- C84 H64 Cl8 N8 O4 -","4","1","HB2215","Lu, Zhi-Ke; Li, Shen; Huang, Peng-Mian","1-Acetyl-5-(2,6-dichlorophenyl)-3-(2-naphthyl)-2-pyrazoline","Acta Crystallographica Section E","2006","62","12","o5830","o5831","10.1107/S1600536806049993","","","0.71073","MoKα","","0.0987","0.0446","","","0.0908","0.1093","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211441","10.229","0.003","32.469","0.0018","10.686","0.0016","90","","90.13","0.013","90","","3549.1","1.2","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Chloro{1-[(1-hydroxymethyl-2-methylpropyl)iminomethyl]ferrocenyl- κ^2^C,N}(triphenylphosphine-κP)palladium(II) dichloromethane solvate","","- C35 H37 Cl3 Fe N O P Pd -","- C35 H37 Cl3 Fe N O P Pd -","- C140 H148 Cl12 Fe4 N4 O4 P4 Pd4 -","4","2","HG2115","Qian, Heng-Yu; Cui, Xiu-Ling","Chloro{1-[(1-hydroxymethyl-2-methylpropyl)iminomethyl]ferrocenyl-κ^2^<i>C</i>,<i>N</i>}(triphenylphosphine-κ<i>P</i>)palladium(II) dichloromethane solvate","Acta Crystallographica Section E","2006","62","12","m3435","m3436","10.1107/S1600536806048471","","","0.71073","MoKα","","0.071","0.0617","","","0.1427","0.1462","","","","","","1.067","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211442","16.134","0.001","16.134","","18.162","0.001","90","","90","","120","","4094.3","0.3","293","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","Poly[(μ~2~-4,4'-bipyridine)tris[μ~4~-(E)-4,4'-(ethene-1,2- diyl)dibenzoato]zinc(II)]","","- C58 H38 N2 O12 Zn3 -","- C57.92 H37.92 N2 O12 Zn3 -","- C173.76 H113.76 N6 O36 Zn9 -","3","0.166667","HG2126","Wang, Huan-Yu; Gao, Shan; Zhao, Jing-Gui; Ng, Seik Weng","Poly[(μ~2~-4,4'-bipyridine)tris[μ~4~-(<i>E</i>)-4,4'-(ethene-1,2-diyl)dibenzoato]zinc(II)]","Acta Crystallographica Section E","2006","62","12","m3298","m3300","10.1107/S1600536806047532","","","0.71073","MoKα","","0.11","0.062","","","0.151","0.194","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211443","12.452","0.002","8.1688","0.0014","12.5419","0.0018","90","","104.88","0.009","90","","1233","0.3","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-bis(4-ferrocenylphenyl)ethene","","- C34 H28 Fe2 -","- C34 H28 Fe2 -","- C68 H56 Fe4 -","2","0.5","HG2127","Wang, Jian-Hui; Zhang, Li-Gai; Shao, Ming-Bo; Wu, Bin; Lin, Shi-Xian","1,2-Bis(4-ferrocenylphenyl)ethene","Acta Crystallographica Section E","2006","62","12","m3390","m3391","10.1107/S1600536806048197","","","0.7107","MoKα","","0.0712","0.0612","","","0.1448","0.1521","","","","","","1.132","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211444","8.108","0.002","14.02","0.004","8.482","0.002","90","","92.137","0.005","90","","963.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-1-methyl-6,7-dihydropyrrolo[2,3-c]azepine-4,8(1H,5H)-dione","","- C9 H9 Br N2 O2 -","- C9 H9 Br N2 O2 -","- C36 H36 Br4 N8 O8 -","4","1","HG2128","Xiang-Chao Zeng","3-Bromo-1-methyl-6,7-dihydropyrrolo[2,3-<i>c</i>]azepine-4,8(1<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","12","o5505","o5507","10.1107/S1600536806046289","","","0.71073","MoKα","","0.04","0.0301","","","0.0871","0.094","","","","","","1.083","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211445","10.548","0.002","11.764","0.002","16.998","0.003","90","","99.28","0.03","90","","2081.6","0.7","292","2","567","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","buspirone","8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4,5]decane-7,9-dione","","- C21 H31 N5 O2 -","- C21 H31 N5 O2 -","- C84 H124 N20 O8 -","4","1","HG2129","Koziol, Anna E.; Chilmonczyk, Zdzislaw; Cybulski, Jacek","Buspirone free base","Acta Crystallographica Section E","2006","62","12","o5616","o5618","10.1107/S1600536806047726","","","1.54178","CuKα","","0.0818","0.0457","","","0.1284","0.1501","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211446","10.464","0.002","11.191","0.002","9.1463","0.0018","90","","90","","90","","1071.1","0.4","123","2","123","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(Z)-benzyl 2-(hydroxyimino)acetoacetate","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","HG2130","Forsyth, Craig M.; Langford, Steven J.; Lee, Katrina A.","(<i>Z</i>)-Benzyl 2-(hydroxyimino)acetoacetate","Acta Crystallographica Section E","2006","62","12","o5654","o5655","10.1107/S1600536806047738","","","0.71073","MoKα","","0.04","0.0358","","","0.0784","0.0822","","","","","","1.15","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211447","7.4428","0.0001","10.7189","0.0001","14.029","0.0002","87.583","0.001","88.451","0.001","75.214","0.001","1081.04","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-2,4,5-Trimethoxybenzaldehyde oxime","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","2","HG2134","Xin-Hong Chang","(<i>E</i>)-2,4,5-Trimethoxybenzaldehyde oxime","Acta Crystallographica Section E","2006","62","12","o5699","o5700","10.1107/S1600536806048677","","","0.71073","MoKα","","0.0445","0.0353","","","0.0971","0.1061","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211448","10.868","0.001","13.246","0.001","17.288","0.001","90","","97.729","0.001","90","","2466.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(quinolin-8-olato-κ^2^N,O)iron(III) methanol solvate","","- C28 H22 Fe N3 O4 -","- C28 H22 Fe N3 O4 -","- C112 H88 Fe4 N12 O16 -","4","1","HG2135","Guang Chen","Tris(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)iron(III) methanol solvate","Acta Crystallographica Section E","2006","62","12","m3383","m3384","10.1107/S1600536806048653","","","0.71073","MoKα","","0.0581","0.0458","","","0.1347","0.1437","","","","","","1.035","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211449","8.216","0.001","6.927","0.001","10.987","0.002","90","","110.819","0.002","90","","584.47","0.15","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[(N,N-dimethylpropane-1,3-diamine)thiocyanatonickel(II)]-μ- thiocyanato]","","- C7 H14 N4 Ni S2 -","- C7 H14 N4 Ni S2 -","- C14 H28 N8 Ni2 S4 -","2","1","HG2136","Guang Chen","<i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-dimethylpropane-1,3-diamine)thiocyanatonickel(II)]-μ-thiocyanato]","Acta Crystallographica Section E","2006","62","12","m3509","m3510","10.1107/S1600536806049609","","","0.71073","MoKα","","0.0322","0.0294","","","0.0651","0.0667","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211450","6.638","0.002","16.838","0.003","17.137","0.003","90","","97.861","0.003","90","","1897.4","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,E)-6,6'-Dimethoxy-2,2'-[o-phenylenebis(nitrilomethylidyne)]diphenol","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","1","HG2139","Liu, Y.-F.; Xia, H.-T.; Yang, S.-P.; Wang, D.-Q.","(<i>E</i>,<i>E</i>)-6,6'-Dimethoxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenol","Acta Crystallographica Section E","2006","62","12","o5908","o5909","10.1107/S1600536806049580","","","0.71073","MoKα","","0.1477","0.0633","","","0.1599","0.2326","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211451","11.4235","0.0006","11.8071","0.0006","12.6502","0.0006","90","","90","","90","","1706.24","0.15","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Diethylether‒trichloroborane","Diethylether‒trichloroborane","","- C4 H10 B Cl3 O -","- C4 H10 B Cl3 O -","- C32 H80 B8 Cl24 O8 -","8","1","HJ3021","Weinmann, Markus; Nuss, Jürgen; Jansen, Martin","Diethyl ether‒trichloroborane, (C~2~H~5~)~2~O‒BCl~3~","Acta Crystallographica Section E","2006","62","12","o5590","o5591","10.1107/S1600536806047118","","","0.71073","MoKα","","0.0343","0.0329","","","0.0766","0.0772","","","","","","1.329","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211452","13.5072","0.001","14.7298","0.001","20.481","0.002","90","","93.22","0.05","90","","4068.4","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2-Benzoylbenzoato-κO)triphenyl(triphenylphosphine oxide-κO)tin(IV)","","- C50 H39 O4 P Sn -","- C50 H39 O4 P Sn -","- C200 H156 O16 P4 Sn4 -","4","1","HK2118","Diop, Cheikh Abdoul Khadir; Touré, Assane; Diop, Libasse; Welter, Richard","(2-Benzoylbenzoato-κ<i>O</i>)triphenyl(triphenylphosphine oxide-κ<i>O</i>)tin(IV)","Acta Crystallographica Section E","2006","62","12","m3338","m3340","10.1107/S160053680604726X","","","0.71073","MoKα","","0.0524","0.0362","","","0.0682","0.0739","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211453","10.236","0.004","13.662","0.006","8.628","0.003","90","","101.814","0.007","90","","1181","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl 3-Phenylcarbazate","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C44 H64 N8 O8 -","4","1","HK2128","Zhou, Bin; Gao, Wen-Yuan; Zhang, Tie-Jun; Zhang, Jia-Xin","<i>tert</i>-Butyl 3-phenylcarbazate","Acta Crystallographica Section E","2006","62","12","o5393","o5394","10.1107/S1600536806038608","","","0.71073","MoKα","","0.1413","0.0527","","","0.1147","0.1448","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211454","8.5865","0.0018","8.7487","0.0018","21.661","0.005","90","","90","","90","","1627.2","0.6","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-N,N'-Bis(2-pyridylmethylene)cyclohexane-1,2-diamine","","- C18 H20 N4 -","- C18 H20 N4 -","- C72 H80 N16 -","4","1","HK2140","Bo Liu; Ming-Jie Zhang; Jin Cui; Jie Zhu","(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-Bis(2-pyridylmethylene)cyclohexane-1,2-diamine","Acta Crystallographica Section E","2006","62","12","o5359","o5360","10.1107/S1600536806043388","","","0.7107","MoKα","","0.0414","0.0398","","","0.0958","0.0969","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211455","8.719","0.003","9.877","0.003","12.444","0.004","100.89","0.02","100.12","0.03","102.54","0.02","1000.6","0.6","297","2","","","","","","","","","","4","P -1","-P 1","2","","N,N'-(Methylenedi-p-phenylene)bis(pyridine-2-carboxamide)","","- C25 H20 N4 O2 -","- C25 H20 N4 O2 -","- C50 H40 N8 O4 -","2","1","HK2155","Meghdadi, Soraia; Khavasi, Hamid Reza; Nalchigar, Saeid","<i>N</i>,<i>N</i>'-(Methylenedi-<i>p</i>-phenylene)bis(pyridine-2-carboxamide)","Acta Crystallographica Section E","2006","62","12","o5492","o5493","10.1107/S1600536806046344","","","0.71073","MoKα","","","0.0435","","","","0.103","","","","","","1.065","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211457","9.307","0.002","11.672","0.003","8.7531","0.0019","90","","99.221","0.004","90","","938.6","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis[4-(2-pyridyl)pyrimidin-2-ylsulfanyl]ethane","","- C20 H16 N6 S2 -","- C20 H16 N6 S2 -","- C40 H32 N12 S4 -","2","0.5","HK2157","Rong Li","1,2-Bis[4-(2-pyridyl)pyrimidin-2-ylsulfanyl]ethane","Acta Crystallographica Section E","2006","62","12","o5480","o5481","10.1107/S1600536806045879","","","0.71073","MoKα","","0.0794","0.0636","","","0.1831","0.2051","","","","","","1.076","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211458","11.5381","0.0012","11.9979","0.0013","16.5192","0.0018","90","","90","","90","","2286.8","0.4","296","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Pt1","Chloro-(1R,3S)-1,3-diamino-1,2,2-trimethylcyclopentane(dimethyl sulphoxide) platinum(II) trichloro(dimethyl sulphoxide)platinum(II)","","- C12 H30 Cl4 N2 O2 Pt2 S2 -","- C12 H30 Cl4 N2 O2 Pt2 S2 -","- C48 H120 Cl16 N8 O8 Pt8 S8 -","4","1","HK2158","Jaramillo, David; Junk, Peter C.; Brodie, Craig R.; Aldrich-Wright, Janice R.","Chloro(dimethyl sulfoxide-κ<i>S</i>)[(1<i>R</i>,3<i>S</i>)-1,2,2-trimethylcyclopentane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>']platinum(II) trichloro(dimethyl sulfoxide-κ<i>S</i>)platinum(II)","Acta Crystallographica Section E","2006","62","12","m3377","m3379","10.1107/S1600536806047817","","","0.71073","MoKα","","0.0297","0.0276","","","0.0623","0.063","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211459","23.2051","0.0006","5.5097","0.0001","8.0412","0.0002","90","","91.216","0.002","90","","1027.86","0.04","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Bis[(phenylsulfanyl)methyl]biphenyl","","- C26 H22 S2 -","- C26 H22 S2 -","- C52 H44 S4 -","2","0.5","HK2159","Rong Li","4,4'-Bis[(phenylsulfanyl)methyl]biphenyl","Acta Crystallographica Section E","2006","62","12","o5600","o5601","10.1107/S160053680604709X","","","0.71073","MoKα","","0.0494","0.0355","","","0.0901","0.0978","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211460","7.7105","0.0015","16.322","0.003","8.0745","0.0016","90","","114.85","0.03","90","","922.1","0.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[chloro-μ-(imidazolyl-1,3-diyldiacetato-κ^4^O:O':O'':O''')cobalt(II)]","","- C7 H7 Cl Co N2 O4 -","- C7 H7 Cl Co N2 O4 -","- C28 H28 Cl4 Co4 N8 O16 -","4","0.5","HK2160","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","A two-dimensional cobalt(II) coordination polymer: poly[chloro(μ-imidazole-1,3-diyldiacetato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')cobalt(II)]","Acta Crystallographica Section E","2006","62","12","m3359","m3361","10.1107/S1600536806047775","","","0.71073","MoKα","","0.0333","0.0277","","","0.0677","0.0717","","","","","","1.073","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211461","16.3696","0.0016","5.5359","0.0005","14.1406","0.0014","90","","103.011","0.002","90","","1248.5","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(4-flourobenzyl)isocoumarin","3-(4-fluorobenzyl)isocoumarin","","- C16 H11 F O2 -","- C16 H11 F O2 -","- C64 H44 F4 O8 -","4","1","HK2161","Babar, Tariq Mahmood; Qadeer, Ghulam; Khan, Gul Shahzada; Rama, Nasim Hasan; Wong, Wai-Yeung","3-(4-Fluorobenzyl)isocoumarin","Acta Crystallographica Section E","2006","62","12","o5612","o5613","10.1107/S1600536806047751","","","0.71073","MoKα","","0.0672","0.0419","","","0.1063","0.1249","","","","","","1.007","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211462","36.954","0.005","6.1913","0.001","8.7464","0.0013","90","","99.524","0.009","90","","1973.5","0.5","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","poly[[diaquacobalt(II)]-di-μ~2~-naphthalene-1-acetato]","","- C24 H22 Co O6 -","- C24 H22 Co O6 -","- C96 H88 Co4 O24 -","4","0.5","HK2162","Liu, Ji-Wei; Wang, Wu-Yi; Gu, Chang-Sheng","A two-dimensional grid-like cobalt^II^ coordination polymer: poly[[diaquacobalt(II)]-di-μ~2~-naphthalene-1-acetato]","Acta Crystallographica Section E","2006","62","12","m3445","m3447","10.1107/S1600536806048744","","","0.71073","MoKα","","0.0803","0.0518","","","0.1371","0.159","","","","","","1.057","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211464","20.255","0.003","12.6669","0.0017","20.499","0.002","90","","93.772","0.01","90","","5248","1.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(tetraphenylphosphonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)cuprate(II)","","- C54 H40 Cu P2 S10 -","- C54 H40 Cu P2 S10 -","- C216 H160 Cu4 P8 S40 -","4","0.5","HY2027","Wang, Rui-He; Wang, Yan-Ling; Yao, Jun; Zhao, Xiu-Tai","Bis(tetraphenylphosphonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)cuprate(II)","Acta Crystallographica Section E","2006","62","12","m3228","m3229","10.1107/S1600536806046290","","","0.71073","MoKα","","0.0936","0.0468","","","0.1116","0.1371","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211465","9.279","0.005","16.055","0.005","12.474","0.005","90","0.005","90","0.005","90","0.005","1858.3","1.4","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","cis-Dichlorobis[2-(2-pyridyl)-1H-imidazole-κN^3^]zinc(II) hemihydrate","","- C16 H15 Cl2 N6 O0.5 Zn -","- C16 H15 Cl2 N6 O0.5 Zn -","- C64 H60 Cl8 N24 O2 Zn4 -","4","0.5","HY2029","Dong-Xia Zhu; Ya-Qian Lan; Yao-Mei Fu; Zhong-Min Su","<i>cis</i>-Dichlorobis[2-(2-pyridyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]zinc(II) hemihydrate","Acta Crystallographica Section E","2006","62","12","m3479","m3480","10.1107/S160053680604921X","","","0.71073","MoKα","","0.0344","0.0277","","","0.0898","0.0913","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211466","50.248","0.005","5.322","0.005","16.944","0.005","90","","105.536","0.005","90","","4366","4","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[N,N'-bis(octylsulfanyl)glyoximato]nickel(II)","","- C36 H70 N4 Ni O4 S4 -","- C36 H70 N4 Ni O4 S4 -","- C144 H280 N16 Ni4 O16 S16 -","4","0.5","HY2030","Gurol, Ilke; Gumus, Gulay; Yuksel, Fatma; Jeanneau, Erwann; Ahsen, Vefa","Bis[<i>N</i>,<i>N</i>'-bis(octylsulfanyl)glyoximato]nickel(II)","Acta Crystallographica Section E","2006","62","12","m3303","m3305","10.1107/S1600536806046605","","","0.71073","MoKα","","0.1273","0.0593","","0.1248","0.0663","0.0663","","","","","","1.0635","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211467","7.4237","0.0009","9.4197","0.0011","9.6478","0.0011","81.432","0.002","75.952","0.002","77.838","0.002","636.38","0.13","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis(1,3-benzimidazol-3-ium-1,3-diacetato)cobalt(II) hemihydrate","","- C22 H27 Co N4 O12.5 -","- C22 H27 Co N4 O12.5 -","- C22 H27 Co N4 O12.5 -","1","0.5","IS2086","Ling Huang; Ding-Ben Chen","Tetraaquabis(1,3-benzimidazol-3-ium-1,3-diacetato)cobalt(II) hemihydrate","Acta Crystallographica Section E","2006","62","12","m3532","m3534","10.1107/S1600536806049920","","","0.71073","MoKα","","0.0493","0.0448","","","0.1004","0.1031","","","","","","1.06","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211468","11.346","0.003","10.708","0.002","13.161","0.003","90","","93.219","0.004","90","","1596.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-dihydro-1H-pyrido[3,4-b]azepine-2,5-dione","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C72 H64 N16 O16 -","8","2","IS2088","Gu, Xiao-Dan; Zhou, Fu-Hui; Wang, Sheng-Wen; Deng, Jian-Cheng; Xu, Jing-Wei","1<i>H</i>-Pyrido[3,4-<i>b</i>]azepine-2,5(3<i>H</i>,4<i>H</i>)-dione: a hydrogen-bonded dimeric structure","Acta Crystallographica Section E","2006","62","12","o5623","o5624","10.1107/S1600536806047799","","","0.71073","MoKα","","0.0806","0.0496","","","0.109","0.1239","","","","","","1.015","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211469","9.2661","0.0018","9.5978","0.0018","26.195","0.005","90","","97.693","0.003","90","","2308.7","0.8","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-[(1,5-Dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-ylimino)methylene]phenyl 4-methylbenzenesulfonate","","- C25 H23 N3 O4 S -","- C25 H23 N3 O4 S -","- C100 H92 N12 O16 S4 -","4","1","IS2093","Chen, Xin; Yu, Ming","(<i>E</i>)-3-[(1,5-Dimethyl-3-oxo-2-phenyl-1<i>H</i>-pyrazol-4-ylimino)methylene]phenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2006","62","12","o5525","o5526","10.1107/S1600536806043509","","","0.71073","MoKα","","0.0961","0.0476","","","0.1074","0.1299","","","","","","1.005","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211470","4.855","0.002","19.519","0.003","20.084","0.003","90","","90","","90","","1903.3","0.9","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Syringin monohydrate","4-(3-hydroxy-1-propenyl)-2,6-dimethoxyphenyl-β-D-glucopyranoside monohydrate","","- C17 H26 O10 -","- C17 H26 O10 -","- C68 H104 O40 -","4","1","IS2094","Yin, Ren-Jie; Wang, Xiao-Bing; Kong, Ling-Yi","Syringin monohydrate","Acta Crystallographica Section E","2006","62","12","o5728","o5730","10.1107/S1600536806048008","","","0.71073","MoKα","","0.1067","0.0571","","","0.13","0.1676","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211471","8.275","0.003","9.884","0.003","11.584","0.003","89.503","0.005","81.062","0.005","86.951","0.005","934.6","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(E)-N'-[4-(4-Chlorobenzyloxy)-3-methoxybenzylidene]thiophene-2-carbohydrazide","","- C20 H17 Cl N2 O3 S -","- C20 H17 Cl N2 O3 S -","- C40 H34 Cl2 N4 O6 S2 -","2","1","IS2098","Zhao, Yan-Li; Zhang, Qiao-Zhen; Chen, Xin; Yu, Ming","(<i>E</i>)-<i>N</i>'-[4-(4-Chlorobenzyloxy)-3-methoxybenzylidene]thiophene-2-carbohydrazide","Acta Crystallographica Section E","2006","62","12","o5437","o5438","10.1107/S1600536806046095","","","0.71073","MoKα","","0.1184","0.0564","","","0.1395","0.1757","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211472","9.7106","0.0015","10.1139","0.0015","10.5568","0.0016","104.928","0.003","115.988","0.002","91.557","0.003","888.7","0.2","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","2-(tert-Butylamino)-3-phenyl-3H-benzo[4,5]thieno[3,2-e]pyrimidin-4-one","","- C20 H19 N3 O S -","- C20 H19 N3 O S -","- C40 H38 N6 O2 S2 -","2","1","IS2099","Sheng-Zhen Xu; Yang-Gen Hu","2-(<i>tert</i>-Butylamino)-3-phenylbenzo[4,5]thieno[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5647","o5648","10.1107/S1600536806048100","","","0.71073","MoKα","","0.0766","0.0537","","","0.1256","0.1493","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211473","5.4731","0.0007","10.199","0.0013","7.5187","0.001","90","","107.23","0.002","90","","400.86","0.09","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(acetato-κ^2^O,O')diaquacopper(II)","","- C4 H10 Cu O6 -","- C4 H10 Cu O6 -","- C8 H20 Cu2 O12 -","2","0.5","IS2100","Wang, Xiao-Yan; Deng, Xiao-Tao; Wang, Cheng-Gang","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')diaquacopper(II)","Acta Crystallographica Section E","2006","62","12","m3578","m3579","10.1107/S1600536806049415","","","0.71073","MoKα","","0.0329","0.0309","","","0.088","0.0897","","","","","","1.145","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211474","15.551","0.006","5.971","0.002","14.221","0.006","90","","104.339","0.006","90","","1279.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(1H-Benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one","","- C15 H12 F N3 O -","- C15 H12 F N3 O -","- C60 H48 F4 N12 O4 -","4","1","IS2101","Wu-Lan Zeng; Sai Bi; Fan Zhang; Jun Wan","3-(1<i>H</i>-Benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one","Acta Crystallographica Section E","2006","62","12","o5453","o5454","10.1107/S1600536806046320","","","0.71073","MoKα","","0.0573","0.0426","","","0.128","0.1429","","","","","","0.972","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211475","7.945","0.003","8.17","0.003","9.642","0.003","71.059","0.005","76.441","0.005","72.69","0.004","558.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Poly[(μ-4-methylpyridine <i>N</i>-oxide)bis(μ~1,3~-thiocyanato)cobalt(II)]","","- C8 H7 Co N3 O S2 -","- C8 H7 Co N3 O S2 -","- C16 H14 Co2 N6 O2 S4 -","2","1","IS2102","Zhang, Shi-Guo; Li, Wei-Nan; Shi, Jing-Min","Poly[(μ-4-methylpyridine <i>N</i>-oxide)bis(μ-thiocyanato)cobalt(II)]","Acta Crystallographica Section E","2006","62","12","m3506","m3608","10.1107/S1600536806049968","","","0.71073","MoKα","","0.0671","0.0483","","","0.0931","0.0987","","","","","","0.884","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211476","7.915","0.007","8.255","0.008","11.581","0.01","102.684","0.014","109.208","0.013","97.137","0.013","681.1","1.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","5-Formyl-2-methoxyphenyl benzenesulfonate","","- C14 H12 O5 S -","- C14 H12 O5 S -","- C28 H24 O10 S2 -","2","1","IS2105","Zhang, Qiao-Zhen; Zhao, Yan-Li; Chen, Xin; Yu, Ming","5-Formyl-2-methoxyphenyl benzenesulfonate","Acta Crystallographica Section E","2006","62","12","o5711","o5712","10.1107/S1600536806048938","","","0.71073","MoKα","","0.1079","0.05","","","0.1118","0.1373","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211477","7.0354","0.0009","9.6783","0.0014","10.5523","0.0019","108.672","0.014","92.673","0.014","106.228","0.012","646.22","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","trans-1,4-cnH~2~ WS~4~","trans-Cyclohexane-1,4-diammonium tetrathiotungstate(VI)","","- C6 H16 N2 S4 W -","- C6 H16 N2 S4 W -","- C12 H32 N4 S8 W2 -","2","1","IS2106","Srinivasan, Bikshandarkoil R.; Naik, Ashish R.; Näther, Christian; Bensch, Wolfgang","<i>trans</i>-Cyclohexane-1,4-diammonium tetrathiotungstate(VI)","Acta Crystallographica Section E","2006","62","12","m3491","m3493","10.1107/S1600536806049166","","","0.71073","MoKα","","0.043","0.0233","","","0.0497","0.0522","","","","","","0.997","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211478","9.431","0.003","10.512","0.004","17.414","0.006","90","","90","","90","","1726.4","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,6'-Dimethoxy-2,2'-(ethane-1,2-diyldiiminodimethylene)diphenol","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C72 H96 N8 O16 -","4","0.5","IS2110","Xia, Hai-Tao; Liu, Yun-Fen; Yang, Shu-Ping; Wang, Da-Qi","6,6'-Dimethoxy-2,2'-(ethane-1,2-diyldiiminodimethylene)diphenol","Acta Crystallographica Section E","2006","62","12","o5864","o5865","10.1107/S1600536806050227","","","0.71073","MoKα","","0.0656","0.0413","","","0.1094","0.1363","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211479","7.6465","0.0019","8.843","0.002","22","0.006","90","","99.457","0.005","90","","1467.4","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Formyl-2-methoxyphenyl 4-methylbenzenesulfonate","","- C15 H14 O5 S -","- C15 H14 O5 S -","- C60 H56 O20 S4 -","4","1","IS2111","Zhang, Qiao-Zhen; Zhao, Yan-Li; Chen, Xin; Yu, Ming","5-Formyl-2-methoxyphenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2006","62","12","o5889","o5890","10.1107/S1600536806050653","","","0.71073","MoKα","","0.1139","0.0484","","","0.1199","0.1462","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211480","4.0635","0.0011","14.894","0.004","19.715","0.005","90","","90","","90","","1193.2","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-Chlorobenzyloxy)benzaldehyde","","- C14 H11 Cl O2 -","- C14 H11 Cl O2 -","- C56 H44 Cl4 O8 -","4","1","IS2112","Zhao, Yan-Li; Zhang, Qiao-Zhen; Chen, Xin; Yu, Ming","2-(4-Chlorobenzyloxy)benzaldehyde","Acta Crystallographica Section E","2006","62","12","o5891","o5892","10.1107/S1600536806050665","","","0.71073","MoKα","","0.0619","0.036","","","0.0735","0.0839","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211481","17.7","0.001","5.2952","0.0003","15.8343","0.0009","90","","90","","90","","1484.07","0.15","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","7-Bromo-1-methylsulfanyl-2-phenylnaphtho[2,1-b]furan","","- C19 H13 Br O S -","- C19 H13 Br O S -","- C76 H52 Br4 O4 S4 -","4","1","IS2115","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","7-Bromo-1-methylsulfanyl-2-phenylnaphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2006","62","12","o5876","o5877","10.1107/S1600536806050501","","","0.71073","MoKα","","0.0216","0.0199","","","0.0479","0.0483","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211482","11.1915","0.0015","16.982","0.002","11.422","0.0014","90","","110.077","0.002","90","","2038.9","0.4","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6-(4-Fluorophenyl)-5-morpholino-3-phenyl-2-thioxo-2,3- dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one","","- C21 H17 F N4 O2 S2 -","- C21 H17 F N4 O2 S2 -","- C84 H68 F4 N16 O8 S8 -","4","1","JH2037","Fan, Shuang; Liang, Ying; He, Hong-Wu","6-(4-Fluorophenyl)-5-morpholino-3-phenyl-2-thioxo-2,3-dihydrothiazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5731","o5733","10.1107/S160053680604904X","","","0.71073","MoKα","","0.0652","0.0471","","","0.1076","0.1132","","","","","","0.974","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211483","10.51","0.004","11.879","0.004","12.935","0.004","72.992","0.004","81.788","0.005","81.119","0.005","1517.6","0.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-iodo-bis{[N,N-bis(diphenylphosphinomethyl)-2-pyridinamine- κ^2^P,P']copper(I)} dichloromethane solvate","","- C63 H58 Cl2 Cu2 I2 N4 P4 -","- C63 H58 Cl2 Cu2 I2 N4 P4 -","- C63 H58 Cl2 Cu2 I2 N4 P4 -","1","0.5","JH2042","Zhang, Jun-Feng; Yu, Ming-Ming; Zhao, Xi-Juan; Ou, Xue-Mei; Fu, Wen-Fu","Di-μ-iodo-bis{[<i>N</i>,<i>N</i>-bis(diphenylphosphinomethyl)-2-pyridinamine-κ^2^<i>P</i>,<i>P</i>']copper(I)} dichloromethane solvate","Acta Crystallographica Section E","2006","62","12","m3498","m3499","10.1107/S1600536806049701","","","0.71073","MoKα","","0.0548","0.0367","","","0.0838","0.0949","","","","","","1.015","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211484","9.205","0.004","11.311","0.004","13.489","0.005","90","","102.19","0.03","90","","1372.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-Acetyl-2-(4-methylphenyl)cyclohex-2-en-1-one oxime","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","JH2044","M. Periasamy; J. C. Jebaraj; J. Suresh; A. Ponnuswamy; S. Natarajan","3-Acetyl-2-(4-methylphenyl)cyclohex-2-en-1-one oxime","Acta Crystallographica Section E","2006","62","12","o5920","o5922","10.1107/S1600536806049713","","","0.71073","MoKα","","0.0994","0.0631","","","0.1654","0.1923","","","","","","1.024","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211485","8.2658","0.0003","15.8334","0.0004","22.9084","0.0007","90","","90.747","0.002","90","","2997.9","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3,5-Dimethoxyphenyl)-1-(3-nitrophenyl)-prop-2-enone","","- C17 H15 N O5 -","- C17 H15 N O5 -","- C136 H120 N8 O40 -","8","2","JH2045","Qiu, Xiao-Yang; Yang, Sen-Lin","3-(3,5-Dimethoxyphenyl)-1-(3-nitrophenyl)prop-2-enone","Acta Crystallographica Section E","2006","62","12","o5939","o5940","10.1107/S1600536806049798","","","0.71073","MoKα","","0.1344","0.0516","","","0.114","0.1424","","","","","","0.858","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211486","16.1366","0.0007","12.8104","0.0006","23.832","0.001","90","","100.988","0.001","90","","4836.1","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(H3tpa)2(HPO4)(ClO4)4,2H2O","bis[2,2',2''-(nitrilotrimethylene)tripyridinium] hydrogenphosphate tetrakis(perchlorate) dihydrate","","- C36 H47 Cl4 N8 O22 P -","- C36 H47 Cl4 N8 O22 P -","- C144 H188 Cl16 N32 O88 P4 -","4","1","JH2046","Hazell, Alan","Hydrogen bonding in 2,2',2''-(nitrilotrimethylene)tripyridinium hydrogenphosphate tetrakis(perchlorate) dihydrate and related compounds","Acta Crystallographica Section E","2006","62","12","o5941","o5943","10.1107/S160053680605080X","","","0.71073","MoKα","","","0.053","","","","0.051","","","","","","1.041","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211487","16.38","0.003","15.396","0.003","16.536","0.003","90","","92.24","0.03","90","","4167","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloroacetyl-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4- tetrahydroisoquinoline","","- C22 H26 Cl N O5 -","- C22 H26 Cl N O5 -","- C176 H208 Cl8 N8 O40 -","8","2","KJ2032","Zhi-Hong Zou; Hui-Bing Zhang; Wen-Long Huang","2-Chloroacetyl-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section E","2006","62","12","o5918","o5919","10.1107/S1600536806049555","","","0.71073","MoKα","","0.1397","0.0659","","","0.1392","0.1727","","","","","","1.021","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211488","10.006","0.002","11.957","0.002","12.184","0.002","104.67","0.03","113.24","0.03","96.44","0.03","1258.3","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-iodo-bis[pyridine(tri-p-tolylphosphine)silver(I)]","","- C52 H52 Ag2 I2 N2 P2 -","- C52 H52 Ag2 I2 N2 P2 -","- C52 H52 Ag2 I2 N2 P2 -","1","0.5","KP2051","Meijboom, Reinout; Muller, Alfred","Di-μ-iodo-bis[pyridine(tri-<i>p</i>-tolylphosphine)silver(I)]","Acta Crystallographica Section E","2006","62","12","m3191","m3193","10.1107/S1600536806043601","","","0.71073","MoKα","","","0.03","","","","0.0784","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211489","17.8144","0.0008","7.4999","0.0008","7.9125","0.0008","90","","102.203","0.002","90","","1033.27","0.16","223","2","223","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","1,2,4,5-tetraiodobenzene","1,2,4,5-tetraiodobenzene","","- C6 H2 I4 -","- C6 H2 I4 -","- C24 H8 I16 -","4","1","KP2054","Novak, Igor; Li, DongBo","1,2,4,5-Tetraiodobenzene","Acta Crystallographica Section E","2006","62","12","o5736","o5737","10.1107/S1600536806048823","","","0.71073","MoKα","","0.0562","0.0454","","","0.1046","0.1097","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211490","9.685","0.002","13.204","0.003","13.323","0.003","68.117","0.004","76.261","0.004","75.145","0.004","1508.9","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[6-(Furan-2-ylideneamino)-1,3-benzothiazole-2- thiolato-κS^2^]triphenyltin(IV) ethanol hemisolvate","","- C31 H25 N2 O1.5 S2 Sn -","- C31 H25 N2 O1.5 S2 Sn -","- C62 H50 N4 O3 S4 Sn2 -","2","1","KP2059","Ya-Wen Han; Ru-Fen Zhang","[6-(Furan-2-ylideneamino)-1,3-benzothiazole-2-thiolato-κ<i>S</i>^2^]triphenyltin(IV) ethanol hemisolvate","Acta Crystallographica Section E","2006","62","12","m3279","m3280","10.1107/S1600536806046836","","","0.71073","MoKα","","0.096","0.0525","","","0.1282","0.1572","","","","","","1.001","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211491","7.81","0.006","5.942","0.005","25.443","0.019","90","","90.801","0.009","90","","1180.6","1.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Pyridylmethylammonio)ethanesulfonate dihydrate","","- C8 H16 N2 O5 S -","- C8 H16 N2 O5 S -","- C32 H64 N8 O20 S4 -","4","1","KP2061","Jun-Xia Li; Yi-Min Jiang; Bei-Lin Liao","2-(2-Pyridylmethylammonio)ethanesulfonate dihydrate","Acta Crystallographica Section E","2006","62","12","o5609","o5611","10.1107/S1600536806047568","","","0.71073","MoKα","","0.0437","0.0368","","","0.094","0.0993","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211492","11.142","0.002","14.929","0.003","15.68","0.003","90","","90","","90","","2608.2","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4,6-Trimethyl-8,9-dihydro-5H,7H-pyrido[3,2-e]pyrazino[1,2-b][1,2]thiazin-5-one 11,11-dioxide","","- C13 H15 N3 O3 S -","- C13 H15 N3 O3 S -","- C104 H120 N24 O24 S8 -","8","1","KP2062","Karczmarzyk, Zbigniew; Malinka, Wiesław","2,4,6-Trimethyl-8,9-dihydro-5<i>H</i>,7<i>H</i>-pyrido[3,2-<i>e</i>]pyrazino[1,2-<i>b</i>][1,2]thiazin-5-one 11,11-dioxide","Acta Crystallographica Section E","2006","62","12","o5781","o5783","10.1107/S1600536806048355","","","1.54178","CuKα","","0.0331","0.0328","","","0.0961","0.0965","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211493","15.51663","0.00018","31.9596","0.0007","13.2306","0.0002","90","","90","","90","","6561.12","0.19","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","Aluminiumacetylacetonat","γ-Tris(2,4-pentanedionato-κ^2^O,O')aluminium(III)","","- C15 H21 Al O6 -","- C15 H21 Al O6 -","- C240 H336 Al16 O96 -","16","4","KP2065","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","γ-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')aluminium(III) at 110 K","Acta Crystallographica Section E","2006","62","12","m3318","m3320","10.1107/S1600536806047106","","","0.71073","MoKα","","0.0413","0.0313","","","0.0715","0.0759","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211494","3.64","0.001","11.584","0.003","13.565","0.003","90","","94.64","0.01","90","","570.1","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Oxo-1,2-dihydropyridine-3-carboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","KP2066","Long, Si-Hui; Siegler, Maxime; Li, Tong-Lei","2-Oxo-1,2-dihydropyridine-3-carboxylic acid","Acta Crystallographica Section E","2006","62","12","o5664","o5665","10.1107/S1600536806048768","","","0.71073","MoKα","","0.0643","0.0451","","","0.1168","0.13","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211495","24.851","0.008","9.276","0.003","14.091","0.004","90","","107.991","0.006","90","","3089.4","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[8-(4-pyridylsulfanylmethyl-κN)quinoline]silver(I) trifluoromethanesulfonate","","- C31 H24 Ag F3 N4 O3 S3 -","- C31 H24 Ag F3 N4 O3 S3 -","- C124 H96 Ag4 F12 N16 O12 S12 -","4","0.5","KP2068","Song, Rui-Feng; Wang, Yu-Hong","Bis[8-(4-pyridylsulfanylmethyl-κ<i>N</i>)quinoline]silver(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2006","62","12","m3546","m3547","10.1107/S1600536806049786","","","0.71073","MoKα","","0.1085","0.0478","","","0.0841","0.0998","","","","","","0.996","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211496","8.2791","0.0002","6.2091","0.0001","14.9903","0.0004","90","","93.5895","0.0011","90","","769.08","0.03","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dinitrobenzaldehyde","","- C7 H4 N2 O5 -","- C7 H4 N2 O5 -","- C28 H16 N8 O20 -","4","1","KP2070","Sankar Muniappan; Israel Goldberg","On C—H···O interactions in 3,5-dinitrobenzaldehyde","Acta Crystallographica Section E","2006","62","12","o5842","o5844","10.1107/S1600536806050343","","","0.71073","MoKα","","0.0591","0.0434","","","0.1152","0.1272","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211497","10.818","0.003","10.818","0.004","17.984","0.005","90","","90","","120","","1822.7","1","293","2","293","2","","","","","","","","3","P 31","P 31","144","Azadirone","(5α,7α,13α,17α)-7-(acetyloxy)-21,23-epoxy-4,4,8-trimethyl-24- norchola-1,14,20,22-tetraen-3-one","","- C28 H36 O4 -","- C28 H36 O4 -","- C84 H108 O12 -","3","1","LH2208","R. Malathi; S. S. Rajan; M. Sivarama Krishnan; Geetha Gopalakrishnan; G. Suresh","Azadirone","Acta Crystallographica Section E","2006","62","12","o5694","o5696","10.1107/S1600536806048410","","","1.54178","CuKα","","0.0528","0.0433","","","0.1181","0.1269","","","","","","1.021","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211498","10.076","0.009","12.845","0.011","18.337","0.016","106.716","0.011","100.195","0.012","92.669","0.014","2225","3","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","Aquabis[3-ethyl-4-(4-methylphenyl)-5-(2-pyridyl)-4H-1,2,4-triazole- κ^2^N,N']copper(II) disalicylate dihydrate","","- C46 H48 Cu N8 O9 -","- C46 H48 Cu N8 O9 -","- C92 H96 Cu2 N16 O18 -","2","1","LH2218","Bu-Gao Zhou; Zuo-Xiang Wang; Xiao-Yong Qiu; Chun-Yi Liu","Aquabis[3-ethyl-4-(4-methylphenyl)-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>,<i>N</i>']copper(II) disalicylate dihydrate","Acta Crystallographica Section E","2006","62","12","m3176","m3177","10.1107/S1600536806044874","","","0.71073","MoKα","","0.0729","0.06","","","0.1391","0.1447","","","","","","1.009","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211499","6.469","0.002","7.021","0.002","27.351","0.009","90","","90","","90","","1242.3","0.7","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-N'-(4-Fluorobenzylidene)isonicotinohydrazide monohydrate","","- C13 H12 F N3 O2 -","- C13 H12 F N3 O2 -","- C52 H48 F4 N12 O8 -","4","1","LH2222","Chen, Shi-Kun","(<i>E</i>)-<i>N</i>'-(4-Fluorobenzylidene)isonicotinohydrazide monohydrate","Acta Crystallographica Section E","2006","62","12","o5352","o5353","10.1107/S1600536806044977","","","0.71073","MoKα","","0.0545","0.0372","","","0.0875","0.0937","","","","","","0.979","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211500","6.6054","0.0002","7.2228","0.0002","14.5495","0.0003","90.085","0.002","96.287","0.002","114.225","0.002","628.39","0.03","100","2","100","2","","","","","","","","3","P 1","P 1","1","(+)-14bα-3-Oxoglycyrrhetinic acid","(+)-10,13-dioxo-2α,4aβ,6aα,6bβ,9,9,12aβ-heptamethyl- 1,2,3,4,4a,5,6,6a,6 b,7,8,8aα,9,10,11,12,12a,12bα,13,14bα- eicosahydropicene-2β-carboxylic acid","","- C30 H44 O4 -","- C30 H44 O4 -","- C30 H44 O4 -","1","1","LH2223","Thompson, Hugh W.; Lalancette, Roger A.; Kikolski, Elizabeth M.","(+)-14bα-3-Oxoglycyrrhetinic acid: catemeric hydrogen bonding in a non-racemic triterpenoid diketo acid","Acta Crystallographica Section E","2006","62","12","o5482","o5484","10.1107/S1600536806045788","","","1.54178","CuKα","","0.056","0.046","","","0.106","0.113","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211501","9.0506","0.0005","11.3701","0.0007","17.1085","0.0011","90","","94.49","0.005","90","","1755.17","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Dimethyldithiocarbamato-κ^2^S,S')iodo(1,10-phenanthroline-κ^2^N,N')copper(II)","","- C15 H14 Cu I N3 S2 -","- C15 H14 Cu I N3 S2 -","- C60 H56 Cu4 I4 N12 S8 -","4","1","LH2224","Le-Qing Fan; Ji-Huai Wu","(<i>N</i>,<i>N</i>-Dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')iodo(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section E","2006","62","12","m3208","m3209","10.1107/S1600536806045089","","","0.71073","MolybdenumKα","","0.0412","0.0348","","","0.1164","0.1247","","","","","","0.915","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211502","18.01","0.007","11.478","0.007","18.743","0.012","90","","108.91","0.03","90","","3665","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[tris(μ~4~-benzene-1,4-dicarboxylato)bis(μ~2~-N,N- diethylformamide)dieuropium(III)] 0.7-hydrate]","","- C17 H17.7 Eu N O7.35 -","- C17 H17 Eu N O7.35 -","- C136 H136 Eu8 N8 O58.8 -","8","1","LH2226","Clausen, Henrik F.; Overgaard, Jacob; Poulsen, Rasmus D.; Morgenroth, Wolfgang; Iversen, Bo B.","An Eu-based metal‒organic framework: poly[[tris(μ~4~-benzene-1,4-dicarboxylato)bis(μ~2~-<i>N</i>,<i>N</i>-diethylformamide)dieuropium(III)] 0.7-hydrate]","Acta Crystallographica Section E","2006","62","12","m3333","m3335","10.1107/S1600536806047143","","","0.55","synchrotron","","0.0445","0.0366","","","0.0865","0.0899","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211503","4.6477","0.0001","19.7414","0.001","12.3721","0.0005","90","","91.147","0.003","90","","1134.94","0.08","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-Amino-1-(2-chloronicotinoyl)-3-trifluoromethyl-1H-1,2,4-triazole","","- C9 H5 Cl F3 N5 O -","- C9 H5 Cl F3 N5 O -","- C36 H20 Cl4 F12 N20 O4 -","4","1","LH2228","Wardell, James L.; Low, John N.; Glidewell, Christopher","5-Amino-1-(2-chloronicotinoyl)-3-trifluoromethyl-1<i>H</i>-1,2,4-triazole: hydrogen-bonded sheets of alternating <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(36) rings","Acta Crystallographica Section E","2006","62","12","o5383","o5385","10.1107/S1600536806044990","","","0.71073","MoKα","","0.066","0.0397","","","0.0829","0.0939","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211504","13.7042","0.0004","17.165","0.0005","7.7369","0.0002","90","","90","","90","","1819.97","0.09","160","1","160","1","","","","","","","","4","P n a 21","P 2c -2n","33","","14-(4-Fluorophenyl)-9H-dibenzo[a,j]xanthene","","- C27 H17 F O -","- C27 H17 F O -","- C108 H68 F4 O4 -","4","1","LH2229","Seethalakshmi, T.; Linden, Anthony; Sunil Kumar, B.; Hunnur, R. K.; Kaliannan, P.","14-(4-Fluorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene","Acta Crystallographica Section E","2006","62","12","o5417","o5418","10.1107/S1600536806045053","","","0.71073","MoKα","","0.0637","0.045","","","0.0906","0.0991","","","","","","1.051","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211505","5.1351","0.0002","18.194","0.0007","8.5727","0.0004","90","","98.694","0.003","90","","791.73","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(3-Pyridyl)-1,3,4-oxadiazole-2-thione","","- C7 H5 N3 O S -","- C7 H5 N3 O S -","- C28 H20 N12 O4 S4 -","4","1","LH2230","Yong-Tao Wang; Zhen-Wei Qiang; Wen-Zhu Wan; Gui-Mei Tang","5-(3-Pyridyl)-1,3,4-oxadiazole-2-thione","Acta Crystallographica Section E","2006","62","12","o5585","o5586","10.1107/S1600536806047374","","","0.71073","MoKα","","0.0542","0.036","","","0.0869","0.0977","","","","","","1.003","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211506","17.039","0.005","18.642","0.008","13.69","0.004","90","","90","","90","","4349","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diethyl 2,5-Bis[(E)-thiophen-2-ylmethyleneamino]thiophene-3,4-dicarboxylate","","- C20 H18 N2 O4 S3 -","- C20 H18 N2 O4 S3 -","- C160 H144 N16 O32 S24 -","8","1","LH2231","Dufresne, Stéphane; Bourgeaux, Marie; Skene, W. G.","Diethyl 2,5-bis[(<i>E</i>)-thiophen-2-ylmethyleneamino]thiophene-3,4-dicarboxylate","Acta Crystallographica Section E","2006","62","12","o5602","o5604","10.1107/S1600536806046915","","","1.54178","CuKα","","0.1042","0.0426","","","0.0971","0.1137","","","","","","0.728","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211507","12.468","0.003","12.468","0.003","24.51","0.009","90","","90","","90","","3810.1","1.9","294","2","294","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Bis(2-aminonaphthalene-1-sulfonato-κO)bis(1,10-phenanthroline- κ^2^N,N')cobalt(II)","","- C44 H32 Co N6 O6 S2 -","- C44 H32 Co N6 O6 S2 -","- C176 H128 Co4 N24 O24 S8 -","4","0.5","LH2232","Jian-Hua Sun; Xin Feng","Bis(2-aminonaphthalene-1-sulfonato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2006","62","12","m3370","m3372","10.1107/S1600536806046964","","","0.71073","MoKα","","0.0272","0.0239","","","0.0619","0.0628","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211508","13.084","0.002","4.5374","0.0008","15.075","0.003","90","","93.846","0.003","90","","892.9","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1-Dibromo-m-xylene","","- C8 H8 Br2 -","- C8 H8 Br2 -","- C32 H32 Br8 -","4","1","LH2233","Li, Qing-Xiang; Cai, Li; Wang, Xiu-Feng; Shen, Yun-Jun","1,1-Bis(bromomethyl)benzene","Acta Crystallographica Section E","2006","62","12","o5726","o5727","10.1107/S1600536806048422","","","0.71073","MoKα","","0.0779","0.05","","","0.1186","0.1353","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211509","12.354","0.004","13.241","0.005","14.769","0.004","90","","98.784","0.013","90","","2387.6","1.4","293","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-4-formylbenzoato)-κ^3^O,O':O';κ^3^O:O,O'-bis[(4-formylbenzoato- κ^2^O,O')(imidazole-κN)cadmium(II)] dihydrate","","- C44 H40 Cd2 N8 O14 -","- C44 H36 Cd2 N8 O13.98 -","- C88 H72 Cd4 N16 O27.96 -","2","0.5","LH2237","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","Bis(μ-4-formylbenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(4-formylbenzoato-κ^2^<i>O</i>,<i>O</i>')(imidazole-κ<i>N</i>)cadmium(II)] dihydrate","Acta Crystallographica Section E","2006","62","12","m3249","m3250","10.1107/S1600536806046241","","","0.71073","MoKα","","0.041","0.033","","","0.098","0.102","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211510","11.294","0.002","12.656","0.002","12.936","0.003","73.024","0.003","69.403","0.003","70.883","0.003","1602.4","0.5","293","2","295","2","","","","","","","","5","P -1","-P 1","2","","Aqua(benzimidazole-κN)bis(4-formylbenzoato)-κO;κ^2^O,O'-cadmium(II) tetrahydrate","","- C30 H32 Cd N4 O11 -","- C30 H32 Cd N4 O11 -","- C60 H64 Cd2 N8 O22 -","2","1","LH2238","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","Aquabis(benzimidazole-κ<i>N</i>)bis(4-formylbenzoato)-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-cadmium(II) tetrahydrate","Acta Crystallographica Section E","2006","62","12","m3251","m3253","10.1107/S1600536806046253","","","0.71073","MoKα","","0.0632","0.048","","","0.152","0.171","","","","","","1.07","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211511","5.4546","0.0011","10.238","0.002","13.615","0.003","69.01","0.03","84.09","0.03","83.24","0.03","703.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","methyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate","","- C14 H18 Cl N O2 -","- C14 H18 Cl N O2 -","- C28 H36 Cl2 N2 O4 -","2","1","LH2239","Hua-Xing Zhang; Cheng-Cai Luo; Wen-Na Zhao; Lei Han","Methyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate","Acta Crystallographica Section E","2006","62","12","o5598","o5599","10.1107/S1600536806047362","","","0.71073","MoKα","","0.0562","0.0395","","","0.1031","0.1117","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211512","23.35","0.005","5.5367","0.0011","13.167","0.003","90","","99.03","0.03","90","","1681.2","0.6","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(R,S)-2,2'-(Ethane-1,2-diyldiiminio)dibutan-1-ol dinitrate","","- C10 H26 N4 O8 -","- C10 H26 N4 O8 -","- C40 H104 N16 O32 -","4","0.5","LH2240","Bai, Guo-Yi; Zhang, Chen-Fang; Simpson, Jim; Ning, Hui-Sen; Peng, Hong-Wei","(<i>R</i>,<i>S</i>)-2,2'-(Ethane-1,2-diyldiiminio)dibutan-1-ol dinitrate","Acta Crystallographica Section E","2006","62","12","o5580","o5581","10.1107/S1600536806047489","","","0.71073","MoKα","","0.0992","0.0595","","","0.1387","0.1577","","","","","","1.122","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211513","7.9124","0.0005","20.464","0.001","10.4195","0.0007","90","","111.727","0.001","90","","1567.26","0.16","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H18 N2 O15 S3 Zr -","- C3 H18 N2 O15 S3 Zr -","- C12 H72 N8 O60 S12 Zr4 -","4","1","LH2241","Xu, Zhi-Wei; Fu, Yun-Long; Teng, Song-Qing; Ng, Seik Weng","1,3-Propanediammonium triaqua(sulfato-<i>{κ</i>O})bis(sulfato-<i>{κ</i>}^2^<i>O</i>,<i>O</i>')zirconate(IV)","Acta Crystallographica Section E","2006","62","12","m3420","m3422","10.1107/S1600536806047672","","","0.71073","MoKα","","0.05","0.038","","","0.097","0.122","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211514","7.884","0.003","8.213","0.003","9.86","0.003","75.319","0.005","74.17","0.004","72.364","0.005","575.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Poly[(μ-4-methoxypyridine N-oxide)bis(μ~1,3~-thiocyanato)cobalt(II)]","","- C8 H7 Co N3 O2 S2 -","- C8 H7 Co N3 O2 S2 -","- C16 H14 Co2 N6 O4 S4 -","2","1","LH2242","Zhang, Shi-Guo; Li, Wei-Nan; Shi, Jing-Min","Poly[(μ-4-methoxypyridine <i>N</i>-oxide)bis(μ~1,3~-thiocyanato)cobalt(II)]: a two-dimensional coordination polymer","Acta Crystallographica Section E","2006","62","12","m3398","m3400","10.1107/S160053680604880X","","","0.71073","MoKα","","0.0666","0.0515","","","0.121","0.1276","","","","","","1.059","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211515","9.2795","0.0002","6.7778","0.0001","9.8401","0.0002","90","","101.524","0.0009","90","","606.41","0.02","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(Z)-2-(Cyclohexylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C14 H21 N O -","- C14 H21 N O -","- C28 H42 N2 O2 -","2","1","LH2243","Sonar, Vijayakumar N.; M. Venkataraj; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(Cyclohexylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section E","2006","62","12","o5576","o5577","10.1107/S1600536806047453","","","0.71073","MoKα","","0.0322","0.0305","","","0.076","0.0774","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211516","18.901","0.005","6.258","0.0014","6.267","0.0019","90","","90","","90","","741.3","0.3","294","2","294","2","","","","","","","","3","P m n 21","P 2ac -2","31","","2,6-di-tert-butyl-4-(hydroxymethyl)phenol","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","0.5","LH2244","Bai, Guo-Yi; Simpson, Jim; Chen, Yong; Li, Jiang-Sheng; Ning, Hui-Sen","2,6-Di-<i>tert</i>-butyl-4-(hydroxymethyl)phenol","Acta Crystallographica Section E","2006","62","12","o5719","o5721","10.1107/S160053680604791X","","","0.71073","MoKα","","0.0675","0.064","","","0.1937","0.2012","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211517","13.393","0.003","8.8039","0.0018","14.622","0.003","90","","90","","90","","1724.1","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","zinc pyridazinedicarboxylate","Bis(μ-pyridazine-3,6-carboxylato-κ^4^N,O:N',O')bis[diaquazinc(II)]","","- C12 H12 N4 O12 Zn2 -","- C12 H12 N4 O12 Zn2 -","- C48 H48 N16 O48 Zn8 -","4","0.5","LH2245","Michał Gryz; Wojciech Starosta; Janusz Leciejewicz","Bis(μ-pyridazine-3,6-carboxylato-κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>')bis[diaquazinc(II)]","Acta Crystallographica Section E","2006","62","12","m3470","m3472","10.1107/S1600536806049130","","","0.71073","MoKα","","0.07","0.031","","","0.0884","0.1008","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211518","25.181","0.0013","8.304","0.005","8.878","0.008","90","","90","","90","","1856","2","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","5,5a-Diallyl-5,5a,13,14-tetrahydro-12H-di-1,3- benzimidazolo[1,2-a;1',2'-c][1,4]diazepine","","- C23 H24 N4 -","- C23 H24 N4 -","- C92 H96 N16 -","4","1","LH2246","Sema Öztürk Yıldırım; Mehmet Akkurt; Ülkü Yılmaz; Hasan Küçükbay; Vickie McKee","5,5a-Diallyl-5,5a,13,14-tetrahydro-12<i>H</i>-di-1,3-benzimidazolo[1,2-<i>a</i>;1',2'-<i>c</i>][1,4]diazepine","Acta Crystallographica Section E","2006","62","12","o5697","o5698","10.1107/S1600536806048690","","","0.71069","MoKα","","0.0369","0.0331","","","0.0853","0.0885","","","","","","1.019","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211519","9.642","0.0008","13.6336","0.0011","16.9921","0.001","90","","123.729","0.003","90","","1857.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-bis(2-benzimidazolyl)propane chloride dihydrate","2,2'-(Propane-1,3-diyl)bis(benzimidazolium) dichloride dihydrate","","- C17 H22 Cl2 N4 O2 -","- C17 H22 Cl2 N4 O2 -","- C68 H88 Cl8 N16 O8 -","4","1","LH2247","Hu, Bo; Deng, Xiao-Tao; Wang, Cheng-Gang; Wang, Xiao-Yan","2,2'-(Propane-1,3-diyl)bis(benzimidazolium) dichloride dihydrate","Acta Crystallographica Section E","2006","62","12","m3477","m3478","10.1107/S1600536806049142","","","0.71073","MoKα","","0.0745","0.0534","","","0.1231","0.1343","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211520","33.465","0.011","5.375","0.002","12.077","0.004","90","","104.93","0.01","90","","2099","1.3","298","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-Bis(4-fluorobenzyl)-3,3'-methylenediimidazolium dibromide","","- C21 H20 Br2 F2 N4 -","- C21 H20 Br2 F2 N4 -","- C84 H80 Br8 F8 N16 -","4","0.5","LH2249","Cheng, Pi-Yun; Chen, Chih-Yuen; Lee, Hon Man","1,1'-Bis(4-fluorobenzyl)-3,3'-methylenediimidazolium dibromide","Acta Crystallographica Section E","2006","62","12","o5850","o5851","10.1107/S1600536806050173","","","0.71073","MoKα","","0.1199","0.0471","","","0.097","0.1225","","","","","","0.982","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211521","5.5953","0.0007","9.3979","0.0009","15.804","0.002","90","","92.158","0.009","90","","830.45","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyldimethylammonium oxalate","","- C6 H13 N O4 -","- C6 H13 N O4 -","- C24 H52 N4 O16 -","4","1","LH2250","Ejsmont, Krzysztof","Ethyldimethylammonium oxalate","Acta Crystallographica Section E","2006","62","12","o5852","o5854","10.1107/S1600536806050161","","","0.71073","MoKα","","0.0456","0.0332","","","0.0767","0.0824","","","","","","0.984","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211522","6.1754","0.0002","6.6276","0.0005","22.772","0.002","90","","90","","90","","932.01","0.11","299","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 F N O -","- C8 H14 F N O -","- C32 H56 F4 N4 O4 -","4","1","LH2251","Fischer, Andreas","(<i>R</i>)-Phenylethanaminium fluoride monohydrate","Acta Crystallographica Section E","2006","62","12","o5834","o5835","10.1107/S1600536806049117","","","0.71073","MoKα","","0.0617","0.0455","","","0.1015","0.1128","","","","","","1.133","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211523","10.903","0.0013","11.3796","0.0014","34.293","0.004","90","","90","","90","","4254.8","0.9","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diphenylmethyl 3-azido-1,1-dioxocephalosporanate","","- C21 H20 N4 O5 S -","- C21 H20 N4 O5 S -","- C168 H160 N32 O40 S8 -","8","2","LH2252","Bai, Guo-Yi; Peng, Hong-Wei; Simpson, Jim; Chen, Yong; Li, Ying","Diphenylmethyl 3-azido-1,1-dioxocephalosporanate","Acta Crystallographica Section E","2006","62","12","o5716","o5718","10.1107/S1600536806048835","","","0.71073","MoKα","","0.0686","0.0416","","","0.0813","0.0915","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211524","10.416","0.002","7.6525","0.0014","33.053","0.006","90","","90","","90","","2634.6","0.8","298","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(p-nitrophenyl)ferrocene","","- C16 H13 Fe N O2 -","- C16 H13 Fe N O2 -","- C128 H104 Fe8 N8 O16 -","8","1","LH2253","Xin-Hong Chang","An orthorhombic polymorph of (<i>p</i>-nitrophenyl)ferrocene","Acta Crystallographica Section E","2006","62","12","m3544","m3545","10.1107/S1600536806050185","","","0.71073","MoKα","","0.0477","0.0419","","","0.0975","0.1007","","","","","","1.176","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211525","7.089","0.001","8.522","0.001","26.042","0.002","97.724","0.006","91.659","0.006","93.257","0.006","1555.4","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","3-[6-(2-Chlorobenzoyl)-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl]propanenitrile","","- C17 H11 Cl N2 O2 S -","- C17 H11 Cl N2 O2 S -","- C68 H44 Cl4 N8 O8 S4 -","4","2","LH2255","Abdullah Aydın; Mehmet Akkurt; Tijen Önkol; Orhan Büyükgüngör","3-[6-(2-Chlorobenzoyl)-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl]propanenitrile","Acta Crystallographica Section E","2006","62","12","o5933","o5934","10.1107/S1600536806050616","","","0.71073","MoKα","","0.1068","0.0452","","","0.104","0.1232","","","","","","0.838","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211526","5.958","0.0006","11.6745","0.0012","12.6433","0.0012","106.346","0.009","94.975","0.007","103.112","0.008","811.14","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(2E)-3-(4-Butoxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one","","- C19 H19 Cl O2 -","- C19 H19 Cl O2 -","- C38 H38 Cl2 O4 -","2","1","LH2262","Yathirajan, H. S.; Sreevidya, T. V; Narayana, B.; Sarojini, B. K.; Bolte, Michael","(2<i>E</i>)-3-(4-Butoxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","12","o5923","o5924","10.1107/S1600536806050604","","","0.71073","MoKα","","0.0573","0.0491","","","0.1327","0.139","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211527","3.9431","0.0009","3.9431","0.0009","9.543","0.002","90","","90","","90","","148.37","0.06","295","2","295","2","","","","","","","","3","I 4/m m m","-I 4 2","139","Erbium dinickel disilicide","Erbium dinickel disilicon","","- Er Ni2 Si2 -","- Er Ni2 Si2 -","- Er2 Ni4 Si4 -","2","0.0625","MG2006","Kończyk, Joanna; Marciniak, Bernard; Demchenko, Pavlo; Bodak, Oksana; Pavlyuk, Volodymyr","Erbium dinickel disilicide, ErNi~2~Si~2~","Acta Crystallographica Section E","2006","62","12","i236","i237","10.1107/S1600536806044825","","","0.71073","MoKα","","0.0138","0.0138","","","0.0365","0.0365","","","","","","1.255","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211528","8.8673","0.001","8.8673","0.001","10.6729","0.0012","90","","90","","120","","726.77","0.14","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","Manganese orthotellurate","Trimanganese(II) hexaoxotellurate(VI)","","- Mn3 O6 Te -","- Mn3 O6 Te -","- Mn18 O36 Te6 -","6","0.333333","MG2008","Weil, Matthias","Mn~3~TeO~6~","Acta Crystallographica Section E","2006","62","12","i244","i245","10.1107/S160053680604685X","","","0.71073","MoKα","","0.0145","0.0138","","","0.0345","0.0346","","","","","","1.178","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211529","14.8898","0.0008","8.8341","0.0005","10.3457","0.0005","90","","92.99","0.001","90","","1359","0.12","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Zinc orthotellurate","Trizinc hexaoxotellurate(VI)","","- O6 Te Zn3 -","- O6 Te Zn3 -","- O72 Te12 Zn36 -","12","1.5","MG2009","Weil, Matthias","Zn~3~TeO~6~","Acta Crystallographica Section E","2006","62","12","i246","i247","10.1107/S1600536806046861","","","0.71073","MoKα","","0.0363","0.0355","","","0.0772","0.0779","","","","","","1.436","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211530","9.278","0.003","9.863","0.003","12.356","0.003","76.54","0.003","76.941","0.003","87.618","0.004","1071.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-Bipyridyl)methanolbis(trichloroacetato)copper(II)","","- C15 H12 Cl6 Cu N2 O5 -","- C15 H12 Cl6 Cu N2 O5 -","- C30 H24 Cl12 Cu2 N4 O10 -","2","1","NC2025","Xu-Yan Ma; Xin-Dian Dong; Yan-Ping Li; Zhi-Gang Zhang","(2,2'-Bipyridyl)methanolbis(trichloroacetato)copper(II)","Acta Crystallographica Section E","2006","62","12","m3467","m3469","10.1107/S1600536806049105","","","0.71073","MoKα","","0.0546","0.0488","","","0.1199","0.1234","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211531","8.326","0.003","20.028","0.006","10.803","0.003","90","","97.77","0.03","90","","1784.9","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-2-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)] ethanol solvate","","- C32 H32 Cu2 N4 O20 -","- C32 H32 Cu2 N4 O20 -","- C64 H64 Cu4 N8 O40 -","2","0.5","NG2126","Moncol, Jan; Kavalírová, Jana; Lis, Tadeusz; Valigura, Dušan","Tetrakis(μ-2-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)] ethanol disolvate","Acta Crystallographica Section E","2006","62","12","m3217","m3219","10.1107/S1600536806045296","","","0.71069","MoKα","","0.038","0.0312","","","0.0782","0.0814","","","","","","1.046","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211532","8.2635","0.0011","12.5518","0.0016","25.02","0.003","90","","90","","90","","2595.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ru(II) complexe","Chloro(η^6^-p-cymene)[(1R)-(+)-3-(4-methoxybenzoyl)camphor(1-)- κ^2^O,O']ruthenium(II)","","- C28 H35 Cl O3 Ru -","- C28 H35 Cl O3 Ru -","- C112 H140 Cl4 O12 Ru4 -","4","1","NG2131","Ait Ali, Mustapha; Karim, Abdallah; Castanet, Yves; Mortreux, Andre; Mentré, Olivier","Chloro(η^6^-<i>p</i>-cymene)[(1<i>R</i>)-(+)-3-(4-methoxybenzoyl)camphor(1‒)-κ^2^<i>O</i>,<i>O</i>']ruthenium(II)","Acta Crystallographica Section E","2006","62","12","m3160","m3162","10.1107/S1600536806044655","","","0.71073","MoKα","","0.0437","0.0362","","","0.085","0.0884","","","","","","1.016","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211533","8.4987","0.0011","12.507","0.0017","22.768","0.003","90","","95.267","0.002","90","","2409.9","0.6","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorobis(pyrazino[2,3-f][1,10]phenanthroline-κ^2^N,N']cadmium(II)","","- C28 H16 Cd Cl2 N8 -","- C28 H16 Cd Cl2 N8 -","- C112 H64 Cd4 Cl8 N32 -","4","0.5","NG2133","Chuan-Bi Li; Wei Fang; En-Jie Dong; Bo Liu; Yan-Wei Li","Dichlorobis(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)","Acta Crystallographica Section E","2006","62","12","m3247","m3248","10.1107/S1600536806045582","","","0.71073","MoKα","","0.0284","0.025","","","0.06","0.0622","","","","","","1.067","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211534","17.1304","0.0007","17.1304","0.0007","9.6273","0.0004","90","","90","","90","","2825.1","0.2","180","2","180","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","Bis[N,N'-bis(3,3-diphenylprop-2-enylidene)ethane-1,2-diamine-κ^2^N,N']copper(I) triiodide","","- C64 H56 Cu I3 N4 -","- C64 H56 Cu I3 N4 -","- C128 H112 Cu2 I6 N8 -","2","0.25","NG2135","Aliakbar Dehno Khalaji; Mehdi Amirnasr; Jean-Claude Daran","Bis[<i>N</i>,<i>N</i>'-bis(3,3-diphenylprop-2-enylidene)ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>']copper(I) triiodide","Acta Crystallographica Section E","2006","62","12","m3183","m3184","10.1107/S1600536806044916","","","0.71073","MoKα","","0.0554","0.032","","","0.0615","0.0686","","","","","","1.099","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2211535","10.754","0.002","10.631","0.002","17.127","0.003","90","","92.64","0.03","90","","1956","0.6","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[(pyrazino[2,3-f][1,10]phenanthroline-κ^2^N,N')cadmium(II)]- μ~3~-pyridine-2,5-dicarboxylato-κ^3^O,O':N,O:O'':O''] monohydrate]","","- C21 H13 Cd N5 O5 -","- C21 H13 Cd N5 O5 -","- C84 H52 Cd4 N20 O20 -","4","1","NG2138","Guang-Bo Che; Jian-Wang; Jun Sun; Lu Lu; Zhi-Xin Yu","Poly[[[(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ~3~-pyridine-2,5-dicarboxylato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>,<i>O</i>:<i>O</i>'':<i>O</i>''] monohydrate]","Acta Crystallographica Section E","2006","62","12","m3257","m3259","10.1107/S1600536806045600","","","0.71073","MoKα","","0.0286","0.0234","","","0.0649","0.0675","","","","","","1.116","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211536","3.8897","0.0011","7.621","0.002","14.52","0.004","99.309","0.003","92.02","0.003","96.588","0.004","421.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-methoxo-bis{[bis(methoxycarbimido)aminato]copper(II)}","","- C10 H22 Cu2 N6 O6 -","- C10 H22 Cu2 N6 O6 -","- C10 H22 Cu2 N6 O6 -","1","0.5","NG2139","Zhao, Xiao-Hu; Chen, Xu-Dong; Du, Miao","Di-μ-methoxo-bis{[bis(methoxycarbimido)aminato]copper(II)}","Acta Crystallographica Section E","2006","62","12","m3580","m3581","10.1107/S1600536806050483","","","0.71073","MoKα","","0.0652","0.0452","","","0.1077","0.1166","","","","","","1.018","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211537","9.8024","0.0007","6.5184","0.0004","19.8144","0.0013","90","","100.65","0.002","90","","1244.25","0.14","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","poly[hexa-μ~2~-oxo-tetraoxobis(1,10-phenanthroline)tetravanadium(V)]","","- C24 H16 N4 O10 V4 -","- C24 H16 N4 O10 V4 -","- C48 H32 N8 O20 V8 -","2","0.5","NG2140","Li, Tao-Hai; Cao, Rong","Redetermination of poly[hexa-μ~2~-oxo-tetraoxobis(1,10-phenanthroline)tetravanadium(V)]","Acta Crystallographica Section E","2006","62","12","m3236","m3237","10.1107/S1600536806045867","","","0.71073","MoKα","","0.0357","0.0302","","","0.0774","0.081","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211538","12.102","0.003","10.054","0.003","7.767","0.002","90","","90.962","0.004","90","","944.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-4-methoxypyridine N-oxide-κ^2^O:O)bis[dibromocopper(II)]","","- C12 H14 Br4 Cu2 N2 O4 -","- C12 H14 Br4 Cu2 N2 O4 -","- C24 H28 Br8 Cu4 N4 O8 -","2","0.5","NG2142","Zhang, Shi-Guo; Li, Wei-Nan; Shi, Jing-Min","Bis(μ-4-methoxypyridine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>)bis[dibromocopper(II)]","Acta Crystallographica Section E","2006","62","12","m3181","m3182","10.1107/S1600536806045326","","","0.71073","MoKα","","0.0814","0.0676","","","0.1462","0.1527","","","","","","1.131","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211539","21.112","0.003","21.112","0.003","13.953","0.003","90","","90","","120","","5385.9","1.6","295","2","295","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","poly[[(pyridine-κN)cadmium(II)]-μ~3~-imidazole-4,5-dicarboxylato- κ^6^N,O:N',O':O',O'']","","- C10 H7 Cd N3 O4 -","- C10 H7 Cd N3 O4 -","- C180 H126 Cd18 N54 O72 -","18","1","NG2143","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","A three-dimensional porous cadmium(II) coordination polymer: poly[[(pyridine-κ<i>N</i>)cadmium(II)]-μ~3~-imidazole-4,5-dicarboxylato-κ^6^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>':<i>O</i>',<i>O</i>'']","Acta Crystallographica Section E","2006","62","12","m3233","m3235","10.1107/S1600536806045569","","","0.71073","MoKα","","0.0158","0.015","","","0.039","0.0393","","","","","","1.027","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211540","13.9017","0.0012","6.2419","0.0006","20.3533","0.0018","90","","102.453","0.002","90","","1724.6","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Pyridine(2-hydroxy-5-methoxy-1-benzaldehyde 4-methylthiosemicarbazonato-κ^3^<i>S</i>,<i>N</i>,<i>O</i>)nickel(II)","","- C16 H18 N4 Ni O2 S -","- C16 H18 N4 Ni O2 S -","- C64 H72 N16 Ni4 O8 S4 -","4","1","NG2146","García-Reynaldos, Paula X.; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","(5-Methoxy-2-oxidoacetophenone 4-methylthiosemicarbazonato-κ^3^<i>O</i>,<i>N</i>,<i>S</i>)pyridinenickel(II)","Acta Crystallographica Section E","2006","62","12","m3410","m3411","10.1107/S1600536806047957","","","0.71073","MoKα","","0.0865","0.0472","","","0.0749","0.0825","","","","","","0.879","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211541","15.8191","0.0002","8.4756","0.0001","26.8765","0.0004","90","","94.809","0.001","90","","3590.82","0.08","100","0.1","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine-κ^2^N,N']bis(nitrato- κO)cadmium(II)","","- C40 H28 Cd N10 O6 -","- C40 H28 Cd N10 O6 -","- C160 H112 Cd4 N40 O24 -","4","0.5","NG2148","Naser Eltaher Eltayeb; Siang Guan Teoh; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Bohari M. Yamin; Kamarulazizi Ibrahim","Bis[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine-κ^2^<i>N</i>,<i>N</i>']bis(nitrato-κ<i>O</i>)cadmium(II)","Acta Crystallographica Section E","2006","62","12","m3336","m3337","10.1107/S160053680604757X","","","0.71073","MoKα","","0.0384","0.0284","","","0.0727","0.0815","","","","","","1.126","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211542","24.6842","0.0004","24.6842","0.0004","24.6842","0.0004","90","","90","","90","","15040.3","0.4","101","2","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Tetrakis(tri-p-tolylphosphine-κP)silver(I) hexafluorophosphate","","- C84 H84 Ag F6 P5 -","- C84 H84 Ag F6 P5 -","- C672 H672 Ag8 F48 P40 -","8","0.666667","NG2149","Venter, Gertruida J. S.; Meijboom, Reinout; Roodt, Andreas","Tetrakis(tri-<i>p</i>-tolylphosphine-κ<i>P</i>)silver(I) hexafluorophosphate","Acta Crystallographica Section E","2006","62","12","m3453","m3455","10.1107/S160053680604760X","","","0.71073","MoKα","","","0.0383","","","","0.1018","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211543","12.079","0.009","7.914","0.005","13.559","0.01","90","","94.48","0.03","90","","1292.2","1.6","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-(2-Aminoethyl)-1,4,7,10-tetraazadecane]lithium chloride","","- C8 H23 Cl Li N5 -","- C8 H23 Cl Li N5 -","- C32 H92 Cl4 Li4 N20 -","4","1","NG2150","Susanne Olsson; Anders Lennartson; Mikael Håkansson","[4-(2-Aminoethyl)-1,4,7,10-tetraazadecane]lithium chloride: a bilayered structure displaying the rare TRENEN ligand","Acta Crystallographica Section E","2006","62","12","m3518","m3520","10.1107/S1600536806047593","","","0.71073","MoKα","","0.0453","0.0365","","","0.0739","0.0771","","","","","","1.106","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211544","14.1638","0.0009","10.5851","0.0007","14.0247","0.0009","90","","115.799","0.001","90","","1893.1","0.2","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorodiethyl[4-(4-nitrophenyl)piperazine-1-carbodithioato]tin(IV)","","- C15 H22 Cl N3 O2 S2 Sn -","- C15 H22 Cl N3 O2 S2 Sn -","- C60 H88 Cl4 N12 O8 S8 Sn4 -","4","1","NG2151","Zia-ur-Rahman; Saqib Ali; Niaz Muhammad; Meetsma, Auke","Chlorodiethyl[4-(4-nitrophenyl)piperazine-1-carbodithioato]tin(IV)","Acta Crystallographica Section E","2006","62","12","m3560","m3561","10.1107/S1600536806047611","","","0.71073","MoKα","","0.0267","0.0243","","","0.0608","0.0618","","","","","","1.072","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211545","15.7488","0.0007","25.5058","0.0009","25.5058","0.0009","90","","90","","90","","10245.3","0.7","293.15","","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-3,5-dimethylpyrazolato-κ^2^N:N')bis[(4,4'-dimethyl- 2,2'-bipyridine-κ^2^N,N')palladium(II)] bis(hexafluorophosphate) acetonitrile disolvate","","- C38 H44 F12 N10 P2 Pd2 -","- C38 H44 F12 N10 P2 Pd2 -","- C304 H352 F96 N80 P16 Pd16 -","8","1","NG2152","Hai-Ping Huang; Qiong Wu; Guang-Quan Mei","Bis(μ-3,5-dimethylpyrazolato-κ^2^<i>N</i>:<i>N</i>')bis[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II)] bis(hexafluorophosphate) acetonitrile disolvate","Acta Crystallographica Section E","2006","62","12","m3465","m3466","10.1107/S1600536806048926","","","0.71073","MoKα","","0.0748","0.0632","","","0.1575","0.169","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211546","8.1775","0.0016","8.4059","0.0017","13.064","0.003","95.13","0.03","104.18","0.03","104.86","0.03","830.4","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-succinato-κ^4^O:O'-bis[diaqua(1,10-phenanthroline- κ^2^N,N')cadmium(II)] dihydrate","","- C32 H36 Cd2 N4 O14 -","- C32 H36 Cd2 N4 O14 -","- C32 H36 Cd2 N4 O14 -","1","0.5","NG2154","Qing-Wei Wang; Xiu-Mei Li; Guang-Gang Gao; Lin-Fang Shi","Di-μ-succinato-κ^4^<i>O</i>:<i>O</i>'-bis[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)] dihydrate","Acta Crystallographica Section E","2006","62","12","m3483","m3485","10.1107/S1600536806049245","","","0.71073","MoKα","","0.0212","0.0208","","","0.0556","0.0559","","","","","","1.134","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211547","6.4586","0.0002","16.7064","0.0006","17.0965","0.0006","90","","90","","90","","1844.71","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Bis(η^6^-trimethylsilylbenzene)chromium(0)","","","- C18 H28 Cr Si2 -","- C18 H28 Cr Si2 -","- C72 H112 Cr4 Si8 -","4","1","NG2156","Braunschweig, Holger; Kupfer, Thomas","Bis(η^6^-trimethylsilylbenzene)chromium(0)","Acta Crystallographica Section E","2006","62","12","m3502","m3503","10.1107/S1600536806049154","","","0.71073","MoKα","","0.0279","0.0243","","","0.0654","0.0669","","","","","","1.082","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211548","7.471","0.001","13.805","0.002","26.096","0.005","90","","90","","90","","2691.5","0.7","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{2,2'-Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}cobalt(II)","","- C16 H14 Co N2 O2 -","- C16 H14 Co N2 O2 -","- C128 H112 Co8 N16 O16 -","8","1","NG2157","Yuan, Wen-Bing; Wang, Hai-Yang; Du, Jin-Feng; Chen, Shang-Wen; Zhang, Qi","{2,2'-[Ethane-1,2-diylbis(nitrilomethylidene)]diphenolato}cobalt(II)","Acta Crystallographica Section E","2006","62","12","m3504","m3505","10.1107/S1600536806049932","","","0.71073","MoKα","","0.0634","0.0367","","","0.0768","0.0821","","","","","","0.97","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211549","13.3526","0.0007","17.1279","0.0007","24.7049","0.001","90","","95.57","0.004","90","","5623.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichlorohexakis(diphenylphosphinoxy)bis(hydroxydiphenylphosphine)\ tetralithium(I)dizinc(II) toluene tetrasolvate","","- C124 H114 Cl2 Li4 O8 P8 Zn2 -","- C124 H114 Cl2 Li4 O8 P8 Zn2 -","- C248 H228 Cl4 Li8 O16 P16 Zn4 -","2","0.5","NG2158","Dornhaus, Franz; Bolte, Michael","Dichlorohexakis(diphenylphosphinoxy)bis(hydroxydiphenylphosphine)tetralithium(I)dizinc(II) toluene tetrasolvate","Acta Crystallographica Section E","2006","62","12","m3576","m3577","10.1107/S1600536806049889","","","0.71073","MoKα","","0.0857","0.0648","","","0.1783","0.1888","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","203832","2020-10-21","18:00:00",""
"2211550","15.371","0.003","13.829","0.003","16.357","0.003","90","","99.46","0.03","90","","3429.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Hydridotris(5-methyl-3-phenylpyrazol-1-yl)borato- κ^3^N^2^,N^2'^,N^2''^](1H-imidazole-4-carboxylato-κ^2^N,O)zinc(II)","","- C35 H35 B N8 O3 Zn -","- C35 H35 B N8 O3 Zn -","- C140 H140 B4 N32 O12 Zn4 -","4","1","NG2159","He, Hong-Shan","[Hydridotris(5-methyl-3-phenylpyrazol-1-yl)borato-κ^3^<i>N</i>^2^,<i>N</i>^2'^,<i>N</i>^2''^](1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>,<i>O</i>)zinc(II) methanol solvate","Acta Crystallographica Section E","2006","62","12","m3535","m3536","10.1107/S1600536806049907","","","0.71073","MoKα","","0.1093","0.0533","","","0.0996","0.1278","","","","","","1.103","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211551","9.569","0.0013","15.8008","0.0015","18.85","0.002","90","","102.585","0.011","90","","2781.6","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(18-Crown-6)potassium di-<i>tert</i>-butylphospanylbisborohydride","","- C20 H48 B2 K O6 P -","- C20 H48 B2 K O6 P -","- C80 H192 B8 K4 O24 P4 -","4","1","NG2162","Dornhaus, Franz; Bolte, Michael","(18-Crown-6)potassium di-<i>tert</i>-butylphospanylbisborohydride","Acta Crystallographica Section E","2006","62","12","m3573","m3575","10.1107/S1600536806050021","","","0.71073","MoKα","","0.047","0.0275","","","0.0481","0.0493","","","","","","1.018","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211552","11.987","0.004","16.926","0.006","9.209","0.003","90","","90","","90","","1868.4","1.1","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Δ~L~-(L-Cysteinato-κ^2^N,S)bis(ethylenediamine-κ^2^N,N')cobalt(III) bis(perchlorate) monohydrate","","- C7 H24 Cl2 Co N5 O11 S -","- C7 H24 Cl2 Co N5 O11 S -","- C28 H96 Cl8 Co4 N20 O44 S4 -","4","1","NG2163","Takashi Aridomi; Takumi Konno","Δ~L~-(<small>L</small>-Cysteinato-κ^2^<i>N</i>,<i>S</i>)bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) bis(perchlorate) monohydrate","Acta Crystallographica Section E","2006","62","12","m3554","m3556","10.1107/S1600536806050033","","","0.71069","MoKα","","0.0403","0.0358","","","0.0958","0.099","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211553","11.033","0.002","13.757","0.003","20.732","0.004","94.81","0.03","90.64","0.03","108.54","0.03","2970.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-iodo-tris(tri-p-tolylphosphine)-1κP;2κ^2^P-dicopper(I)","","- C63 H63 Cu2 I2 P3 -","- C63 H63 Cu2 I2 P3 -","- C126 H126 Cu4 I4 P6 -","2","1","NG2164","Meijboom, Reinout","Di-μ-iodo-tris(tri-<i>p</i>-tolylphosphine)-1κ<i>P</i>,2κ^2^<i>P</i>-dicopper(I)","Acta Crystallographica Section E","2006","62","12","m3511","m3513","10.1107/S1600536806050318","","","0.71073","MoKα","","","0.0445","","","","0.1012","","","","","","0.994","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211554","8.0667","0.0019","12.705","0.003","13.688","0.004","91.861","0.006","107.121","0.004","105.337","0.004","1283.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Aqua[bis(2-pyridylmethyl)amine][chelidonato(1.5-)]copper(II) chelidonate(0.5-) monohydrate","","- C26 H23 Cu N3 O14 -","- C26 H23 Cu N3 O14 -","- C52 H46 Cu2 N6 O28 -","2","1","NG2166","Fainerman-Melnikova, Marina; Clegg, Jack K.; Codd, Rachel","Aqua[bis(2-pyridylmethyl)amine][chelidonato(1.5‒)]copper(II) chelidonate(0.5‒) monohydrate","Acta Crystallographica Section E","2006","62","12","m3582","m3584","10.1107/S1600536806050677","","","0.71073","MoKα","","0.0651","0.0423","","","0.0924","0.1019","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2211555","7.1313","0.0005","35.442","0.003","9.3061","0.0016","90","","90.454","0.009","90","","2352","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","deoxy goniopypyrone","8-Hydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one","","- C13 H14 O4 -","- C13 H14 O4 -","- C104 H112 O32 -","8","4","OB2083","Hari Kumar, B.; Babu Varghese; Jaya Kumar, G.; Ajitha Bai, M. D.","8-Hydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one","Acta Crystallographica Section E","2006","62","12","o5567","o5569","10.1107/S1600536806046599","","","1.5418","CuKα","","0.0538","0.0487","","","0.1417","0.1468","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211556","15.5715","0.0017","15.9806","0.0018","7.3688","0.0008","90","","109.186","0.002","90","","1731.8","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ammonium 2,4-dihydroxybenzoate monohydrate","","- C7 H11 N O5 -","- C7 H11 N O5 -","- C56 H88 N8 O40 -","8","1","OB2090","Wei, Lin-Heng","Ammonium 2,4-dihydroxybenzoate monohydrate","Acta Crystallographica Section E","2006","62","12","o5542","o5543","10.1107/S1600536806044357","","","0.71073","MoKα","","0.0431","0.0382","","","0.1009","0.1042","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211557","5.3104","0.0004","15.4246","0.0017","18.732","0.002","90","","95.106","0.007","90","","1528.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","10,11-Dihydrocarbamazepine‒acetic acid (1/1)","10,11-dihydro-5<i>H</i>- dibenz[<i>b</i>,<i>f</i>]azepine-5-carboxamide‒ethanoic acid (1/1)","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","OB2091","Johnston, Andrea; Florence, Alastair J.; Fernandes, Philippe; Shankland, Norman; Kennedy, Alan R.","10,11-Dihydrocarbamazepine‒acetic acid (1/1)","Acta Crystallographica Section E","2006","62","12","o5361","o5362","10.1107/S1600536806044369","","","0.71073","MoKα","","0.1386","0.076","","","0.1251","0.1474","","","","","","1.126","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211558","5.2516","0.0013","8.216","0.002","12.29","0.003","103.232","0.004","92.484","0.004","108.439","0.004","485.8","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Bis(dimethylammonium) bis(pyridine-2,5-dicarboxylato)copper(II)","","- C18 H22 Cu N4 O8 -","- C18 H22 Cu N4 O8 -","- C18 H22 Cu N4 O8 -","1","0.5","OB2094","Ji-Lin Lu; Da-Shun Zhang; Lin Li; Bei-Ping Liu","Bis(dimethylammonium) bis(pyridine-2,5-dicarboxylato)copper(II)","Acta Crystallographica Section E","2006","62","12","m3321","m3322","10.1107/S1600536806047180","","","0.71073","MoKα","","0.0504","0.0372","","","0.0837","0.0919","","","","","","1.06","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211559","7.4275","0.0014","9.3536","0.0018","11.29","0.002","74.26","0.003","75.418","0.003","82.888","0.003","729.3","0.2","293","2","","","","","","","","","","5","P -1","-P 1","2","","Ethyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H15 N3 O4 S -","- C14 H15 N3 O4 S -","- C28 H30 N6 O8 S2 -","2","1","OB2095","Noor Shahina Begum; D. E. Vasundhara","Ethyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2006","62","12","o5796","o5798","10.1107/S1600536806049270","","","0.71073","MoKα","","","0.0399","","","","0.1127","","","","","","1.017","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211560","16.598","0.004","8.7178","0.0018","17.25","0.004","90","","116.899","0.004","90","","2226","0.9","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,5-Dimethyl-3-thienyl)-2-[2-methyl-5-(3-cyanophenyl)-3-thienyl]- 3,3,4,4,5,5-hexafluorocyclopent-1-ene","","- C23 H15 F6 N S2 -","- C23 H15 F6 N S2 -","- C92 H60 F24 N4 S8 -","4","1","OB2096","Pu, Shou-Zhi; Wen, Zhen-Dong; Yan, Liu-Shui","2-[5-(3-Cyanophenyl)-2-methyl-3-thienyl]-1-(2,5-dimethyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene: a new photochromic diarylethene compound","Acta Crystallographica Section E","2006","62","12","o5681","o5683","10.1107/S1600536806048203","","","0.71073","MoKα","","0.0988","0.0443","","","0.1098","0.1396","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211561","12.663","0.003","22.894","0.003","5.609","0.003","90","","90","","90","","1626.1","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aqua(L-phenylalaninato)(L-prolinato)copper(II) monohydrate","","- C14 H22 Cu N2 O6 -","- C14 H22 Cu N2 O6 -","- C56 H88 Cu4 N8 O24 -","4","1","OB2097","González, Ricardo; Suescun, Leopoldo; Mombrú, Álvaro W.; Kremer, Eduardo","Aqua(<small>L</small>-phenylalaninato)(<small>L</small>-prolinato)copper(II) monohydrate","Acta Crystallographica Section E","2006","62","12","m3459","m3461","10.1107/S1600536806048513","","","0.71069","MoKα","","0.0711","0.0571","","","0.1564","0.1681","","","","","","1.063","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2211562","9.211","0.002","14.162","0.003","9.772","0.002","90","","90","","90","","1274.7","0.5","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Quinolinium tetrachloroferrate(III)","","- C9 H8 Cl4 Fe N -","- C9 H8 Cl4 Fe N -","- C36 H32 Cl16 Fe4 N4 -","4","0.5","OB2098","Dariusz Wyrzykowski; Artur Sikorski; Antoni Konitz; Zygmunt Warnke","Quinolinium tetrachloroferrate(III)","Acta Crystallographica Section E","2006","62","12","m3562","m3564","10.1107/S1600536806049683","","","0.71073","MoKα","","0.111","0.0397","","","0.0831","0.1011","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211563","10.719","0.002","11.849","0.002","12.971","0.003","103.33","0.03","94.42","0.03","104.23","0.03","1538.2","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","cis-Aquachlorobis(1,10-phenanthroline-κ^2^N,N')manganese(II) 4-formylbenzoate trihydrate","","- C32 H29 Cl Mn N4 O7 -","- C32 H29 Cl Mn N4 O7 -","- C64 H58 Cl2 Mn2 N8 O14 -","2","1","OB2101","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","<i>cis</i>-Aquachlorobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-formylbenzoate trihydrate","Acta Crystallographica Section E","2006","62","12","m3388","m3389","10.1107/S1600536806048501","","","0.71073","MoKα","","0.0663","0.0345","","","0.0814","0.1091","","","","","","1.09","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211564","9.2132","0.0004","23.6595","0.001","19.7075","0.001","90","","90","","90","","4295.8","0.3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}- (ethanol)dioxouranium(VI)","","- C20 H24 N2 O7 U -","- C20 H24 N2 O7 U -","- C160 H192 N16 O56 U8 -","8","1","OB3026","Nuray Şenyüz; Çiĝdem Yüksektepe; Hümeyra Batı; Nezihe Çalışkan; Orhan Büyükgüngör","{6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}(ethanol)dioxouranium(VI)","Acta Crystallographica Section E","2006","62","12","m3163","m3164","10.1107/S1600536806044771","","","0.71073","MoKα","","0.0761","0.0419","","","0.0906","0.0989","","","","","","1.099","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211565","11.677","0.002","9.377","0.001","17.225","0.002","90","","106.682","0.003","90","","1806.7","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[(4-acetamidophenoxy-2-hydroxylpropyl)isopropylammonium] succinate dihydrate","","- C32 H54 N4 O12 -","- C32 H54 N4 O12 -","- C64 H108 N8 O24 -","2","0.5","OM2054","Cai, Jiwen; Liu, Peng-De; Ng, Seik Weng","Bis[(4-acetamidophenoxy-2-hydroxypropyl)isopropylammonium] succinate dihydrate","Acta Crystallographica Section E","2006","62","12","o5532","o5533","10.1107/S1600536806040347","","","0.71073","MoKα","","0.0858","0.0449","","","0.1074","0.1259","","","","","","1.038","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211566","5.6147","0.0006","14.1789","0.0016","18.483","0.002","90","","90","","90","","1471.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[2-(phenylsulfonyl)ethyl]isoindoline-1,3-dione","","- C16 H13 N O4 S -","- C16 H13 N O4 S -","- C64 H52 N4 O16 S4 -","4","1","OM2061","Wang, Long-Shuo; Zhou, Fu-Hui; Li, Zhi-Gang; Deng, Jian-Cheng; Xu, Jing-Wei","2-[2-(Phenylsulfonyl)ethyl]isoindoline-1,3-dione","Acta Crystallographica Section E","2006","62","12","o5565","o5566","10.1107/S1600536806043959","","","0.71073","MoKα","","0.0358","0.0327","","","0.0783","0.0803","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211567","13.3944","0.001","17.0764","0.0012","40.71","0.003","90","","92.589","0.001","90","","9302","1.2","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrakis(<i>N</i>-ethyl-9-oxo-4-azonia-5-aza-9H-fluorene) tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate","","- C52 H44 Bi6 I22 N8 O4 -","- C52 H44 Bi6 I22 N8 O4 -","- C208 H176 Bi24 I88 N32 O16 -","4","0.5","OM2062","Tershansy, Meredith A.; Goforth, Andrea M.; Smith, Mark D.; Peterson Jr, LeRoy; Loye, Hans-Conrad zur","Tetrakis(<i>N</i>-ethyl-9-oxo-4-azonia-5-aza-9<i>H</i>-fluorene) tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate","Acta Crystallographica Section E","2006","62","12","m3269","m3271","10.1107/S1600536806043960","","","0.71073","MoKα","","0.0444","0.0353","","","0.0732","0.0763","","","","","","1.076","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211568","9.431","0.001","11.015","0.002","12.312","0.002","77.61","0.01","80.79","0.01","69.11","0.01","1162.2","0.3","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","2-Aminoquinolin-4-yl 2,4,6-triisopropylbenzenesulfonate","","- C24 H30 N2 O3 S -","- C24 H30 N2 O3 S -","- C48 H60 N4 O6 S2 -","2","1","OM2064","Silva, Luiz Everson da; Joussef, Antonio Carlos; Rebelo, Ricardo Andrade; Foro, Sabine; Schmidt, Boris","2-Aminoquinolin-4-yl 2,4,6-triisopropylbenzenesulfonate","Acta Crystallographica Section E","2006","62","12","o5421","o5422","10.1107/S1600536806045843","","","1.5418","CuKα","","0.1138","0.0567","","","0.1285","0.1515","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211569","10.323","0.002","15.59","0.003","11.202","0.003","90","","108.201","0.004","90","","1712.6","0.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-Dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine- 3,5-dicarboxylic acid monoethyl ester","Ethyl 3-carboxy-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","OM2065","Sun, Feng-Xia; Zhao, Hua; Du, Hong-Xia","Ethyl 5-carboxy-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","Acta Crystallographica Section E","2006","62","12","o5448","o5449","10.1107/S1600536806045570","","","0.71073","MoKα","","0.0919","0.0512","","","0.1246","0.1491","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211570","6.7632","0.0001","20.6542","0.0004","7.5512","0.0001","90","","112.749","0.002","90","","972.76","0.03","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Bis(1-benzylimidazole)dichloropalladium(II)","","- C20 H20 Cl2 N4 Pd -","- C20 H20 Cl2 N4 Pd -","- C40 H40 Cl4 N8 Pd2 -","2","0.5","OM2067","Chen, Chih-Yuen; Lee, Hon Man","<i>trans</i>-Bis(1-benzylimidazole)dichloropalladium(II)","Acta Crystallographica Section E","2006","62","12","m3328","m3329","10.1107/S1600536806046939","","","0.71073","MoKα","","0.021","0.0184","","","0.0474","0.0481","","","","","","1.063","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211571","9.2694","0.0002","11.3621","0.0003","12.1721","0.0003","90","","108.024","0.001","90","","1219.05","0.05","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-2-(1,3-Benzodioxol-5-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","OM2069","Sonar, Vijayakumar N.; M. Venkataraj; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(1,3-Benzodioxol-5-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section E","2006","62","12","o5742","o5744","10.1107/S160053680604894X","","","0.71073","MoKα","","0.0881","0.0483","","","0.1122","0.1305","","","","","","0.992","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211572","6.6514","0.0001","22.3378","0.0005","8.0734","0.0002","90","","101.607","0.001","90","","1175","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-2-(2-Methylbenzylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","OM2070","Sonar, Vijayakumar N.; M. Venkataraj; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(2-Methylbenzylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section E","2006","62","12","o5738","o5739","10.1107/S1600536806048951","","","0.71073","MoKα","","0.0564","0.0391","","","0.0981","0.1074","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211573","5.8527","0.0002","9.984","0.0003","20.3309","0.0006","90","","90","","90","","1188","0.06","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-2-(4-Methylbenzylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","OM2071","Sonar, Vijayakumar N.; M. Venkataraj; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(4-Methylbenzylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section E","2006","62","12","o5740","o5741","10.1107/S1600536806048963","","","0.71073","MoKα","","0.0667","0.0474","","","0.1165","0.1279","","","","","","1.069","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211574","11.0171","0.0002","5.9253","0.0001","16.1888","0.0002","90","","94.64","0.001","90","","1053.34","0.03","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-2-(Thiophen-2-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","","- C12 H13 N O S -","- C12 H13 N O S -","- C48 H52 N4 O4 S4 -","4","1","OM2072","Sonar, Vijayakumar N.; M. Venkataraj; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(Thiophen-2-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section E","2006","62","12","o5869","o5870","10.1107/S1600536806049403","","","1.54178","CuKα","","0.037","0.0365","","","0.0891","0.0907","","","","","","1.093","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211575","16.9395","0.0013","9.616","0.0006","26.841","0.002","90","","98.006","0.008","90","","4329.5","0.5","299","2","299","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyridine)bis(tri-tert-butoxysilanethiolato-κ^2^O,S)cadmium(II)","","- C34 H62 Cd N2 O6 S2 Si2 -","- C34 H62 Cd N2 O6 S2 Si2 -","- C136 H248 Cd4 N8 O24 S8 Si8 -","4","0.5","RB3023","Anna Kropidłowska; Ilona Turowska-Tyrk; Barbara Becker","(2,2'-Bipyridine)bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)cadmium(II)","Acta Crystallographica Section E","2006","62","12","m3407","m3409","10.1107/S1600536806048689","","","0.71073","MoKα","","0.0588","0.0479","","","0.0912","0.1003","","","","","","1.093","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211576","6.091","0.0005","19.7825","0.0018","7.1119","0.0007","90","","95.584","0.002","90","","852.88","0.13","198","1","198","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Nitrophenyl)-2-oxazoline","","- C9 H8 N2 O3 -","- C9 H8 N2 O3 -","- C36 H32 N8 O12 -","4","1","RN2015","Andreas Decken; Laura Botelho; Amber L. Sadowy; Paras N. Yadav; Robert A. Gossage","2-(3-Nitrophenyl)-2-oxazoline","Acta Crystallographica Section E","2006","62","12","o5414","o5416","10.1107/S1600536806045454","","","0.71073","MoKα","","0.0523","0.0365","","","0.1031","0.1096","","","","","","1.129","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211577","8.4172","0.0014","20.228","0.003","8.4801","0.0012","90","","104.225","0.004","90","","1399.6","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[[cyanatocobalt(II)]bis[μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene]]","","- C26 H24 Co N14 O2 -","- C26 H24 Co N14 O2 -","- C52 H48 Co2 N28 O4 -","2","0.5","RN2018","Xiao-Ping Shen; Hu Zhou","Poly[[cyanatocobalt(II)]bis[μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene]]","Acta Crystallographica Section E","2006","62","12","m3548","m3550","10.1107/S1600536806050148","","","0.71073","MoKα","","0.0425","0.0356","","","0.0816","0.0856","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211578","15.864","0.005","11.59","0.004","8.356","0.003","90","","105.183","0.006","90","","1482.7","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(1,3-Benzodioxol-5-yl)-3-hydroxy-N-methyl-N-phenylpropionamide","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","RN2019","Zhi-Fang Yu; Juan Li; Zhi-Min Zhao","3-(1,3-Benzodioxol-5-yl)-3-hydroxy-<i>N</i>-methyl-<i>N</i>-phenylpropionamide","Acta Crystallographica Section E","2006","62","12","o5614","o5615","10.1107/S1600536806047039","","","0.71073","MoKα","","0.1048","0.0434","","","0.1043","0.1321","","","","","","0.995","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211579","9.5954","0.0004","12.4637","0.0005","15.875","0.0006","90.9566","0.0006","103.209","0.0006","90.4278","0.0006","1847.94","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","5-(2-Hydroxyphenyl)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-4H-1,2,4-triazole","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C88 H76 N12 O8 -","4","2","RZ2070","Zhang, Shu-Ping; Yang, Song; Zou, Ying; Li, Hui-Quan; Shao, Si-Chang","5-(2-Hydroxyphenyl)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2006","62","12","o5395","o5396","10.1107/S1600536806044680","","","0.71073","MoKα","","0.0883","0.0415","","","0.1158","0.1292","","","","","","0.954","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211580","7.594","0.002","9.604","0.003","19.932","0.006","90","","90","","90","","1453.7","0.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","trans-2-[4-(Diethylamino)styryl]pyridine","","- C17 H20 N2 -","- C17 H20 N2 -","- C68 H80 N8 -","4","1","RZ2073","Jiang, Xue-Yue; Xue, Zhao-Ming; Wu, Ke-Neng; Ma, Jian","<i>trans</i>-2-[4-(Diethylamino)styryl]pyridine","Acta Crystallographica Section E","2006","62","12","o5929","o5930","10.1107/S1600536806044254","","","0.71073","MoKα","","0.0671","0.0378","","","0.0789","0.0966","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211581","9.97","0.005","10.191","0.005","23.941","0.011","90","","94.31","0.007","90","","2426","2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 O4 S -","- C28 H22 N2 O4 S -","- C112 H88 N8 O16 S4 -","4","1","RZ2077","Zhang, Ping; Du, Cai-Yun; Li, Yuan","2-[2-(4-Methoxyphenyl)vinyl]-3-[(2-maleimidyl)acetyl]-2,3-dihydro-1,3-benzothiazole","Acta Crystallographica Section E","2006","62","12","o5862","o5863","10.1107/S1600536806050082","","","0.71073","MoKα","","0.0632","0.0389","","","0.091","0.1019","","","","","","1.034","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211582","19.982","0.005","13.768","0.004","19.018","0.005","90","","103.956","0.003","90","","5078","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Anilino-3-benzoyl-4-(2-chlorophenyl)-7,7-dimethyl-7,8-dihydro- 4H-chromen-5(6H)-one","","- C30 H26 Cl N O3 -","- C30 H26 Cl N O3 -","- C240 H208 Cl8 N8 O24 -","8","2","RZ2082","Ming Li; En-Tao Sun; Li-Rong Wen","2-Anilino-3-benzoyl-4-(2-chlorophenyl)-7,7-dimethyl-7,8-dihydro-4<i>H</i>-chromen-5(6<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5607","o5608","10.1107/S1600536806044266","","","0.71073","MoKα","","0.0827","0.045","","","0.1093","0.1273","","","","","","1.018","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211583","12.531","0.002","23.041","0.005","23.649","0.005","90","","90","","90","","6828","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Obacunone","","- C26 H30 O7 -","- C26 H30 O7 -","- C312 H360 O84 -","12","3","RZ2087","Xiang Zhou; Cheng Ji; Jie Fu; Ting Chen; Li, Yu-Guang","Obacunone","Acta Crystallographica Section E","2006","62","12","o5544","o5546","10.1107/S1600536806046885","","","0.71073","MoKα","","0.1019","0.0454","","","0.094","0.1125","","","","","","0.84","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211584","19.076","0.003","7.6881","0.001","32.241","0.004","90","","90","","90","","4728.4","1.1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Isopropylamino-1-phenyl-1H-imidazol-5(4H)-one","","- C12 H15 N3 O -","- C12 H15 N3 O -","- C192 H240 N48 O16 -","16","4","RZ2090","Li, Hong-Xia; Gao, Hai-Tao; Ding, Ming-Wu; Zeng, Xiao-Hua","2-Isopropylamino-1-phenyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5704","o5706","10.1107/S1600536806048392","","","0.71073","MoKα","","0.0769","0.058","","","0.1297","0.1393","","","","","","1.104","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211585","8.7391","0.0005","4.2118","0.0003","21.8958","0.0013","90","","99.135","0.005","90","","795.7","0.09","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[(2-amino-5-bromopyridine-κN)copper(I)]-μ~3~-iodo]","","- C5 H5 Br Cu I N2 -","- C5 H5 Br Cu I N2 -","- C20 H20 Br4 Cu4 I4 N8 -","4","1","RZ2091","Aliakbar Dehno Khalaji; Mehdi Amirnasr; Jean-Claude Daran","Poly[[(2-amino-5-bromopyridine-κ<i>N</i>)copper(I)]-μ~3~-iodo]","Acta Crystallographica Section E","2006","62","12","m3222","m3224","10.1107/S1600536806045740","","","0.71073","MoKα","","0.0247","0.0219","","","0.0507","0.0522","","","","","","1.165","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211586","7.8514","0.0015","9.7882","0.0018","12.215","0.002","90","","108.595","0.003","90","","889.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-fluoro-5-methylsulfonylnitrobenzene","4-Fluoro-3-nitrophenyl methyl sulfone","","- C7 H6 F N O4 S -","- C7 H6 F N O4 S -","- C28 H24 F4 N4 O16 S4 -","4","1","RZ2092","Guo, Sheng-Rong; Yuan, Yan-Qin","4-Fluoro-3-nitrophenyl methyl sulfone","Acta Crystallographica Section E","2006","62","12","o5707","o5708","10.1107/S1600536806048975","","","0.71073","MoKα","","0.0458","0.0438","","","0.1133","0.1148","","","","","","1.133","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211587","6.9754","0.0011","8.2311","0.0013","8.789","0.0014","89.296","0.002","79.266","0.002","67.02","0.002","455.43","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","4-Chloro-3-nitrophenyl methyl sulfone","","- C7 H6 Cl N O4 S -","- C7 H6 Cl N O4 S -","- C14 H12 Cl2 N2 O8 S2 -","2","1","RZ2093","Zhang, Xin-Yan; Guo, Sheng-Rong; Yuan, Yan-Qin","4-Chloro-3-nitrophenyl methyl sulfone","Acta Crystallographica Section E","2006","62","12","o5709","o5710","10.1107/S1600536806048987","","","0.71073","MoKα","","0.0384","0.0363","","","0.0936","0.0953","","","","","","1.088","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211588","21.269","0.005","10.594","0.003","15.758","0.004","90","","94.823","0.004","90","","3538.1","1.6","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-Fluoro-5-methylphenyl (1H-1,2,4-triazol-1-yl)(1,1,3-trioxo-1,2-dihydro-1,2-benzothiazol-2-yl)methyl ketone","","- C18 H13 F N4 O4 S -","- C18 H13 F N4 O4 S -","- C144 H104 F8 N32 O32 S8 -","8","1","SA2015","Liang-Zhong Xu; Qi Zhu; Kai Zhou; Ya-Xun Yang","2-Fluoro-5-methylphenyl (1<i>H</i>-1,2,4-triazol-1-yl)(1,1,3-trioxo-1,2-dihydro-1,2-benzothiazol-2-yl)methyl ketone","Acta Crystallographica Section E","2006","62","12","o5823","o5824","10.1107/S1600536806045752","","","0.71073","MoKα","","0.1161","0.0564","","","0.0994","0.1171","","","","","","1.067","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211589","10.431","0.004","10.519","0.004","15.802","0.006","89.382","0.006","81.627","0.006","86.338","0.006","1711.9","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Tetra-μ-but-2-enoato-bis[diaqua(but-2-enoato)yttrium] di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)yttrium] 4.6-hydrate","","- C48 H85.2 O36.6 Y4 -","- C48 H84 O36.6 Y4 -","- C48 H84 O36.6 Y4 -","1","0.5","SA2017","Ana María Atria; María Teresa Garland; Ricardo Baggio","Tetra-μ-but-2-enoato-bis[diaqua(but-2-enoato)yttrium] di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)yttrium] 4.6-hydrate","Acta Crystallographica Section E","2006","62","12","m3315","m3317","10.1107/S1600536806046502","","","0.71073","MoKα","","0.0633","0.0434","","","0.1027","0.1119","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211590","12.084","0.002","26.171","0.005","7.4355","0.0015","90","","102.57","0.03","90","","2295.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorobenzyl)pyridinium bis(maleonitriledithiolato)copper(III)","","- C20 H11 Cl Cu N5 S4 -","- C20 H11 Cl Cu N5 S4 -","- C80 H44 Cl4 Cu4 N20 S16 -","4","1","SA2018","H. Zhou; X.-M. Ren","1-(4-Chlorobenzyl)pyridinium bis(maleonitriledithiolato)cuprate(III)","Acta Crystallographica Section E","2006","62","12","m3254","m3256","10.1107/S1600536806045685","","","0.71073","MoKα","","0.0534","0.034","","","0.0811","0.0905","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211591","10.826","0.0011","6.5434","0.0007","13.004","0.0013","90","","111.774","0.002","90","","855.47","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S*,2S*,5S*,9S*,10S*,11R*,18R*)-9,10,18-trihydroxy-12,12-dimethyl-6-methylene- 17-oxapentacyclo[7.6.2.1^5,8^.0^1,11^.0^2,8^]octadecane-7,15-dione","","- C20 H26 O6 -","- C20 H26 O6 -","- C40 H52 O12 -","2","1","SA2019","Shi, Hao; Huang, Ming-Liang; Lü, Ya-Ping","(1<i>S</i>*,2<i>S</i>*,5<i>S</i>*,9<i>S</i>*,10<i>S</i>*,11<i>R</i>*,18<i>R</i>*)-9,10,18-Trihydroxy-12,12-dimethyl-6-methylene-17-oxapentacyclo[7.6.2.1^5,8^.0^1,11^.0^2,8^]octadecane-7,15-dione","Acta Crystallographica Section E","2006","62","12","o5472","o5474","10.1107/S1600536806046228","","","0.71073","MoKα","","0.0409","0.038","","","0.095","0.0964","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211592","8.111","0.0016","14.965","0.003","16.22","0.003","90","","104.07","0.03","90","","1909.7","0.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-1-[(3-Methoxy-4-benzoyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine","","- C21 H17 N3 O5 -","- C21 H17 N3 O5 -","- C84 H68 N12 O20 -","4","1","SA2021","Zhang, Qiao-Zhen; Zhao, Yan-Li; Chen, Xin; Yu, Ming","(<i>E</i>)-1-(4-Benzoyloxy-3-methoxybenzylidene)-2-(4-nitrophenyl)hydrazine","Acta Crystallographica Section E","2006","62","12","o5375","o5376","10.1107/S1600536806045466","","","0.71073","MoKα","","0.1274","0.0693","","","0.1322","0.1587","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211593","10.8783","0.0018","6.3632","0.0011","18.963","0.003","90","","103.839","0.004","90","","1274.5","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,2-Dimethylpropionyl)-3-phenylthiourea","","- C12 H16 N2 O S -","- C12 H16 N2 O S -","- C48 H64 N8 O4 S4 -","4","1","SA2022","Yusof, M. Sukeri M.; Ramadzan, Nurul 'Izzah A.; Yamin, Bohari M.","1-(2,2-Dimethylpropionyl)-3-phenylthiourea","Acta Crystallographica Section E","2006","62","12","o5513","o5514","10.1107/S1600536806046551","","","0.71073","MoKα","","0.072","0.047","","","0.109","0.118","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211594","14.5381","0.0016","5.5394","0.0006","14.6879","0.0016","90","","114.998","0.002","90","","1072","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(p-Tolylsulfonyl)propan-2-one","","- C10 H12 O3 S -","- C10 H12 O3 S -","- C40 H48 O12 S4 -","4","2","SA2024","Billing, David G.; Koning, Charles B. de; Michael, Joseph P.; Yillah, Ibrahim","1-(<i>p</i>-Tolylsulfonyl)propan-2-one","Acta Crystallographica Section E","2006","62","12","o5630","o5631","10.1107/S1600536806047635","","","0.71073","MoKα","","0.054","0.0394","","","0.0974","0.1042","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211595","18.3174","0.0003","10.8625","0.0002","9.6364","0.0001","90","","104.697","0.001","90","","1854.65","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Phenylsulfinylmethyl-1-phenylsulfonyl-1H-indole","","- C21 H17 N O3 S2 -","- C21 H17 N O3 S2 -","- C84 H68 N4 O12 S8 -","4","1","SG2076","G. Senthil Kumar; K. Chinnakali; N. Ramesh; A. K. Mohanakrishnan; Hoong-Kun Fun","3-Phenylsulfinylmethyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2006","62","12","o5825","o5827","10.1107/S1600536806045934","","","0.71073","MoKα","","0.0617","0.0455","","","0.1057","0.1195","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211596","10.206","0.002","8.084","0.0016","13.638","0.003","90","","92.56","0.03","90","","1124.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridine N-oxide)bis(dicyanamido)copper(II)","","- C24 H16 Cu N10 O2 -","- C24 H16 Cu N10 O2 -","- C48 H32 Cu2 N20 O4 -","2","0.5","SG2077","Dai, Jian-Fang; Liu, Fu-Ying; Liu, Hui; Sun, Bai-Wang; Wang, Yi-Hong","Bis(2,2'-bipyridine <i>N</i>-oxide)bis(dicyanamido)copper(II)","Acta Crystallographica Section E","2006","62","12","m3375","m3376","10.1107/S1600536806047441","","","0.71073","MoKα","","0.0309","0.0269","","","0.0798","0.0828","","","","","","1.008","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211597","14.3053","0.0017","7.6741","0.001","15.79","0.002","90","","114.586","0.012","90","","1576.3","0.4","85","0.1","85","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-Dimethyl-2-nitrimino-1,2-dihydropyridine","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C56 H72 N24 O16 -","8","1","SG2078","Kyzioł, Janusz B.; Przemysław Nogły; Daszkiewicz, Zdzisław; Zaleski, Jacek","1,5-Dimethyl-2-nitrimino-1,2-dihydropyridine","Acta Crystallographica Section E","2006","62","12","o5485","o5487","10.1107/S1600536806045946","","","0.71073","MoKα","","0.0443","0.0371","","","0.0852","0.0904","","","","","","1.066","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211598","13.8644","0.0005","5.3233","0.0002","12.2334","0.0004","90","","112.885","0.0016","90","","831.81","0.05","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Hydrazinium tetrafluoroborate","hydrazinium tetrafluoroborate","","- B F4 H5 N2 -","- B F4 H5 N2 -","- B8 F32 H40 N16 -","8","1","SG2079","Markus, Kowalewski; Peter, Mayer; Axel, Schulz; Alexander, Villinger","Reinvestigation of hydrazinium tetrafluoroborate","Acta Crystallographica Section E","2006","62","12","i248","i249","10.1107/S1600536806045922","","","0.71073","MoKα","","0.063","0.0496","","","0.1124","0.1214","","","","","","1.069","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211599","12.066","0.003","11.187","0.003","22.402","0.006","90","","96.284","0.005","90","","3005.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(ferrocenecarbaldehyde) (1,2-diphenylethane-1,2-diylidene)dihydrazone","","- C36 H30 Fe2 N4 -","- C36 H30 Fe2 N4 -","- C144 H120 Fe8 N16 -","4","1","SG2080","Zhou, Jing; Yan, Lin; Bi, Dong-Qin; Li, Ming-Xue","Bis(ferrocenecarbaldehyde) (1,2-diphenylethane-1,2-diylidene)dihydrazone","Acta Crystallographica Section E","2006","62","12","m3275","m3276","10.1107/S1600536806045958","","","0.71073","MoKα","","0.0632","0.0443","","","0.1049","0.1095","","","","","","0.999","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211600","11.5427","0.0007","18.1087","0.0012","15.494","0.0009","90","","102.266","0.003","90","","3164.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chlorobis[diphenyl(p-tolyl)phosphine]copper(I)","","- C38 H34 Cl Cu P2 -","- C38 H34 Cl Cu P2 -","- C152 H136 Cl4 Cu4 P8 -","4","1","SG2081","Steyl, Gideon","Chlorobis[diphenyl(<i>p</i>-tolyl)phosphine]copper(I)","Acta Crystallographica Section E","2006","62","12","m3277","m3278","10.1107/S1600536806045909","","","0.71073","MoKα","","0.1129","0.0618","","","0.128","0.1501","","","","","","1.027","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211601","9.3914","0.0003","14.1284","0.0005","7.1083","0.0002","90","","106.094","0.001","90","","906.2","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-allylphthalimide","2-allylisoindoline-1,3-dione","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C44 H36 N4 O8 -","4","1","SG2082","Warzecha, Klaus-Dieter; Lex, Johann; Griesbeck, Axel G.","<i>N</i>-Allylphthalimide: parallel ribbons of <i>R</i>(10) motifs crosslinked by C~vinyl~—H···O bonds","Acta Crystallographica Section E","2006","62","12","o5445","o5447","10.1107/S160053680604596X","","","0.71073","MoKα","","0.0665","0.0386","","","0.0853","0.0948","","","","","","1.011","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211602","8.405","0.002","9.508","0.003","9.639","0.003","66.67","0.03","79.34","0.03","77.74","0.03","686.8","0.4","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[diaquaneodymium(III)]bis(μ-difluoroacetato- κ^2^O:O')[diaquaneodymium(III)]tetrakis(μ-difluoroacetato-κ^2^O:O')] monohydrate]","","- C6 H9 F6 Nd O9 -","- C6 H9 F6 Nd O9 -","- C12 H18 F12 Nd2 O18 -","2","1","SG2083","Rohde, Alexander; Urland, Werner","<i>catena</i>-Poly[[[diaquaneodymium(III)]bis(μ-difluoroacetato-κ^2^<i>O</i>:<i>O</i>')[diaquaneodymium(III)]tetrakis(μ-difluoroacetato-κ^2^<i>O</i>:<i>O</i>')] monohydrate]","Acta Crystallographica Section E","2006","62","12","m3240","m3241","10.1107/S1600536806045910","","","0.71073","MoKα","","0.0304","0.0263","","","0.0635","0.0644","","","","","","1.035","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211603","7.47","0.0008","13.613","0.001","14.548","0.001","110.91","0.01","90.51","0.01","102.42","0.01","1343.6","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","4-Amino-N-(2,3-dichlorophenyl)benzenesulfonamide","","- C12 H10 Cl2 N2 O2 S -","- C12 H10 Cl2 N2 O2 S -","- C48 H40 Cl8 N8 O8 S4 -","4","2","SG2084","Perlovich, German L.; Tkachev, Valery V.; Schaper, Klaus-Jürgen; Strakhova, Nadezda N.","4-Amino-<i>N</i>-(2,3-dichlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2006","62","12","o5634","o5636","10.1107/S1600536806047398","","","0.71073","MoKα","","0.0302","0.0292","","","0.0794","0.0803","","","","","","1.095","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211604","15.4148","0.0017","14.9772","0.0017","17.0633","0.0019","90","","90","","90","","3939.4","0.8","173","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N,N-Diethylpyrrolidinium pentachloro(tetrahydrofuran)zirconate","","- C12 H26 Cl5 N O Zr -","- C12 H26 Cl5 N O Zr -","- C96 H208 Cl40 N8 O8 Zr8 -","8","1","SG2085","Braunschweig, Holger; Kraft, Mario; Seeler, Fabian","<i>N</i>,<i>N</i>-Diethylpyrrolidinium pentachloro(tetrahydrofuran)zirconate(IV)","Acta Crystallographica Section E","2006","62","12","m3267","m3268","10.1107/S1600536806045880","","","0.71073","MoKα","","0.0395","0.034","","","0.1024","0.1082","","","","","","1.098","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211605","10.9824","0.0006","11.6668","0.0006","22.4586","0.0012","90","","90","","90","","2877.6","0.3","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","thorium chromate monohydrate","Thorium chromate monohydrate","","- Cr2 O9 Th -","- Cr2 O9 Th -","- Cr32 O144 Th16 -","16","2","SG2089","Tyler A. Sullens; Thomas E. Albrecht-Schmitt","Thorium(IV) chromate(VI) monohydrate","Acta Crystallographica Section E","2006","62","12","i258","i260","10.1107/S1600536806047416","","","0.71073","MoKα","","0.0249","0.0228","","","0.0532","0.0539","","","","","","1.114","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211606","10.0462","0.0007","16.2513","0.0011","21.7802","0.0015","90","","95.172","0.001","90","","3541.4","0.4","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-amino-4-[4-(benzyloxy)phenyl]-5-methylthiazol-3-ium bromide monohydrate","","- C17 H19 Br N2 O2 S -","- C17 H19 Br N2 O2 S -","- C136 H152 Br8 N16 O16 S8 -","8","1","SG2090","Dao-Hang He; Gao Cao; Ai-Xi Hu","2-Amino-4-[4-(benzyloxy)phenyl]-5-methylthiazol-3-ium bromide monohydrate","Acta Crystallographica Section E","2006","62","12","o5637","o5638","10.1107/S1600536806047428","","","0.71073","MoKα","","0.0694","0.0345","","","0.0739","0.086","","","","","","1.021","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211607","6.0819","0.0019","15.592","0.006","18","0.007","90","","91.087","0.014","90","","1706.6","1.1","296","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanyl piperidin-1-yl ketone","","- C17 H21 Cl2 N O2 -","- C17 H21 Cl2 N O2 -","- C68 H84 Cl8 N4 O8 -","4","1","SG2092","Na-Bo Sun; De-Long Shen; Ren-Hua Zheng; Cheng-Xia Tan; Jian-Quan Weng","2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanyl piperidin-1-yl ketone","Acta Crystallographica Section E","2006","62","12","o5679","o5680","10.1107/S160053680604743X","","","0.71075","MoKα","","","0.0349","","","","0.0813","","","","","","1.001","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211608","8.8593","0.0015","17.407","0.003","22.76","0.004","71.424","0.003","87.901","0.003","88.588","0.003","3324.5","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","rac-(acetonitrile)[2,2'-bis(1-propyl-1H-benzimidazol-2-yl)biphenyl]copper(I) bis(acetonitrile)[2,2'-bis(1-propyl-1H-benzimidazol-2-yl)biphenyl]copper(I) bis(perchlorate)","","- C70 H69 Cl2 Cu2 N11 O8 -","- C70 H69 Cl2 Cu2 N11 O8 -","- C140 H138 Cl4 Cu4 N22 O16 -","2","1","SG2094","Robert T. Stibrany; Joseph A. Potenza","A structure with trigonally and tetrahedrally coordinated Cu^I^ cations: <i>rac</i>-(acetonitrile)[2,2'-bis(1-propyl-1<i>H</i>-benzimidazol-2-yl)biphenyl]copper(I) bis(acetonitrile)[2,2'-bis(1-propyl-1<i>H</i>-benzimidazol-2-yl)biphenyl]copper(I) bis(perchlorate)","Acta Crystallographica Section E","2006","62","12","m3425","m3428","10.1107/S1600536806047386","","","0.71073","MoKα","","0.0672","0.0507","","","0.133","0.1445","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211609","8.244","0.003","11.792","0.004","12.789","0.004","86.261","0.007","87.312","0.006","86.856","0.006","1237.6","0.7","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-[2-(Benzyloxy)-3-methoxybenzylidene]-2-(2,4-dinitrophenyl)hydrazine dimethylformamide monosolvate","","- C24 H25 N5 O7 -","- C24 H25 N5 O7 -","- C48 H50 N10 O14 -","2","1","SG2096","Shi, Jun","(<i>E</i>)-1-[2-(Benzyloxy)-3-methoxybenzylidene]-2-(2,4-dinitrophenyl)hydrazine dimethylformamide solvate","Acta Crystallographica Section E","2006","62","12","o5848","o5849","10.1107/S1600536806049944","","","0.71073","MoKα","","0.1247","0.0512","","","0.1062","0.1399","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211610","7.3769","0.001","11.3828","0.0013","20.715","0.003","90","","91.173","0.011","90","","1739.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diisopropylethylammonium picrate","","- C14 H22 N4 O7 -","- C14 H22 N4 O7 -","- C56 H88 N16 O28 -","4","1","SG2101","Podoprygorina, Ganna; Böhmer, Volker; Bolte, Michael","Diisopropylethylammonium picrate","Acta Crystallographica Section E","2006","62","12","o5903","o5904","10.1107/S1600536806049956","","","0.71073","MoKα","","0.0788","0.0478","","","0.1096","0.1212","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211611","8.797","0.002","16.88","0.002","28.145","0.004","90","","90","","90","","4179.3","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N,N'-Diphenylguanidinium 8-hydroxyquinoline-5-sulfonate","","- C22 H20 N4 O4 S -","- C22 H20 N4 O4 S -","- C176 H160 N32 O32 S8 -","8","1","SG2104","Pereira Silva, P. S.; Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.","<i>N</i>,<i>N</i>'-Diphenylguanidinium 8-hydroxyquinoline-5-sulfonate","Acta Crystallographica Section E","2006","62","12","o5913","o5915","10.1107/S160053680605077X","","","0.71073","MoKα","","0.1016","0.0466","","","0.1224","0.1477","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211612","8.2052","0.0004","9.1947","0.0005","15.5994","0.0008","106.558","0.005","97.573","0.003","100.11","0.004","1089.76","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-(Methylsulfanyl)benzaldehyde thiosemicarbazone","","- C9 H11 N3 S2 -","- C9 H11 N3 S2 -","- C36 H44 N12 S8 -","4","2","SG2105","Yathirajan, H. S.; Bindya, S.; Narayana, B.; Sarojini, B. K.; Bolte, Michael","4-(Methylsulfanyl)benzaldehyde thiosemicarbazone","Acta Crystallographica Section E","2006","62","12","o5925","o5926","10.1107/S1600536806050793","","","0.71073","MoKα","","0.0336","0.0314","","","0.083","0.0843","","","","","","1.057","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211613","11.0363","0.0013","11.0609","0.0014","11.6223","0.0014","66.513","0.005","65.039","0.006","75.568","0.006","1174.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Barium di-μ-hydroxo-bis[(nitrilotriacetato)chromium(III)] trihydrate","","- C12 H26 Ba Cr2 N2 O20 -","- C12 H26 Ba Cr2 N2 O20 -","- C24 H52 Ba2 Cr4 N4 O40 -","2","1","SJ2140","Visser, Hendrik G.","Barium di-μ-hydroxo-bis[(nitrilotriacetato)chromium(III)] hexahydrate","Acta Crystallographica Section E","2006","62","12","m3272","m3274","10.1107/S1600536806044631","","","0.71073","MoKα","","","0.0238","","","","0.0551","","","","","","1.021","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211614","10.872","0.002","11.655","0.002","11.689","0.002","92.1","0.004","99.73","0.004","106.147","0.004","1396.8","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Chlorophenyl)-7,7-dimethyl-10-(4-methylphenyl)-7,8-dihydro-5H- indeno[1,2-b]quinoline-9,11(6H,10H)-dione dimethylformamide solvate","","- C34 H33 Cl N2 O3 -","- C34 H33 Cl N2 O3 -","- C68 H66 Cl2 N4 O6 -","2","1","SJ2146","Hong Jiang; Xiang-Shan Wang; Mei-Mei Zhang; Chang-Sheng Yao; Shu-Jiang Tu","5-(2-Chlorophenyl)-7,7-dimethyl-10-(4-methylphenyl)-7,8-dihydro-5<i>H</i>-indeno[1,2-<i>b</i>]quinoline-9,11(6<i>H</i>,10<i>H</i>)-dione dimethylformamide solvate","Acta Crystallographica Section E","2006","62","12","o5587","o5589","10.1107/S1600536806046952","","","0.7107","MoKα","","0.077","0.0618","","","0.1494","0.158","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211615","7.275","0.004","13.97","0.005","11.794","0.005","90","","92.78","0.02","90","","1197.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-Poly[[[aqua(pyrazino[2,3-f][1,10]phenanthroline- κ^2^N,N')copper(II)]-μ-terephthalato-κ^2^O:O'] N,N-dimethylformamide monohydrate]","","- C25 H23 Cu N5 O7 -","- C25 H23 Cu N5 O7 -","- C50 H46 Cu2 N10 O14 -","2","0.5","SJ2147","Guang-Bo Che; Zhan-Lin Xu; Ng, Seik Weng","<i>catena</i>-Poly[[[aqua(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-terephthalato-κ^2^<i>O</i>:<i>O</i>'] <i>N</i>,<i>N</i>-dimethylformamide monohydrate]","Acta Crystallographica Section E","2006","62","12","m3194","m3196","10.1107/S1600536806044928","","","0.71073","MoKα","","0.066","0.05","","","0.134","0.144","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211616","7.237","0.002","23.877","0.006","13.848","0.008","90","","90","","90","","2392.9","1.6","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","catena-Poly[[[aqua(pyrazino[2,3-f][1,10]phenanthroline-κ^2^N,N')copper(II)]- μ-isophthalato-κ^2^O:O'] N,N-dimethylformamide solvate monohydrate]","","- C25 H23 Cu N5 O7 -","- C25 H23 Cu N5 O7 -","- C100 H92 Cu4 N20 O28 -","4","0.5","SJ2148","Guang-Bo Che; Zhan-Lin Xu; Ng, Seik Weng","<i>catena</i>-Poly[[[aqua(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-isophthalato-κ^2^<i>O</i>:<i>O</i>'] <i>N</i>,<i>N</i>-dimethylformamide solvate monohydrate]","Acta Crystallographica Section E","2006","62","12","m3197","m3199","10.1107/S1600536806045107","","","0.71073","MoKα","","0.055","0.038","","","0.1","0.107","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211617","8.717","0.004","8.926","0.004","12.914","0.006","103.318","0.007","109.007","0.006","98.38","0.007","897.5","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Tetra-μ-acetato-κ^4^O:O';κ^3^O,O':O';κ^3^O:O,O'- bis[(acetato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')holmium(III)]","","- C36 H34 Ho2 N4 O12 -","- C36 H34 Ho2 N4 O12 -","- C36 H34 Ho2 N4 O12 -","1","0.5","SJ2149","Hu, Xue-Lei; Qiu, Li; Sun, Wen-Bing; Chen, Zhong","Tetra-μ-acetato-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')holmium(III)]","Acta Crystallographica Section E","2006","62","12","m3213","m3214","10.1107/S1600536806045144","","","0.71073","MoKα","","0.0798","0.0583","","","0.1257","0.1333","","","","","","1.035","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211618","15.3217","0.0002","20.5634","0.0002","17.18","0.0002","90","","114.907","0.001","90","","4909.4","0.11","100","0.1","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chloro[2-(dimethylamino)benzyl-κ^2^C^1^,N][4-(dimethylamino)pyridine-κN^1^]palladium(II)","","- C16 H22 Cl N3 Pd -","- C16 H22 Cl N3 Pd -","- C192 H264 Cl12 N36 Pd12 -","12","3","SJ2150","Hoong-Kun Fun; Suchada Chantrapromma; Zhong-Lin Lu; Alexei A. Nevero; R. Stan Brown","Chloro[2-(dimethylamino)benzyl-κ^2^<i>C</i>^1^,<i>N</i>][4-(dimethylamino)pyridine-κ<i>N</i>^1^]palladium(II)","Acta Crystallographica Section E","2006","62","12","m3225","m3227","10.1107/S1600536806045119","","","0.71073","MoKα","","0.0515","0.036","","","0.0667","0.0757","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211619","8.1503","0.0007","11.1548","0.0009","11.9935","0.001","95.016","0.001","104.297","0.001","111.285","0.001","965.42","0.14","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","Diethyl cis-4,5,10,11-tetrahydro-4,11-dioxo-1H,3H-2-oxa-3a,4a,10a,11a- tetraazabenz[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxylate","","- C20 H22 N4 O7 -","- C20 H22 N4 O7 -","- C40 H44 N8 O14 -","2","1","SJ2151","Li-Ping Cao; Meng Gao; Bao-Han Zhou","Diethyl <i>cis</i>-4,5,10,11-tetrahydro-4,11-dioxo-1<i>H</i>,3<i>H</i>-2-oxa-3a,4a,10a,11a-tetraazabenz[<i>f</i>]indeno[2,1,7-<i>ija</i>]azulene-11b,11c-dicarboxylate","Acta Crystallographica Section E","2006","62","12","o5419","o5420","10.1107/S160053680604548X","","","0.71073","MoKα","","0.0588","0.0517","","","0.1394","0.1449","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211620","16.916","0.0008","13.6411","0.0006","12.9597","0.0002","90","","94.16","0.001","90","","2982.6","0.2","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,6-bis(4-methylbenzyl)-4,8-dioxo 2,3,6,7-tetrahydro-1H,5H-2,3a,4a,6,7a,8a- hexaazacyclopenta[def]fluorene-8b,8c-dicarboxylate","","- C30 H36 N6 O6 -","- C30 H36 N6 O6 -","- C120 H144 N24 O24 -","4","1","SJ2153","Guo, Hui-Zhen; She, Neng-Fang; Li, Yi-Tao","Diethyl 2,6-bis(4-methylbenzyl)-4,8-dioxo-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2006","62","12","o5596","o5597","10.1107/S1600536806046927","","","0.71073","MoKα","","0.1047","0.0645","","","0.177","0.197","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211621","47.656","0.011","11.069","0.002","9.848","0.002","90","","99.56","0.006","90","","5122.7","1.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(R,S)-3-ethyl 5-methyl 2-(2-ammonioethoxymethyl)4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine- 3,5-dicarboxylate methanesulfonate hydrate","","- C21 H31 Cl N2 O9 S -","- C21 H31 Cl N2 O9 S -","- C168 H248 Cl8 N16 O72 S8 -","8","1","SJ2155","Ray J. Butcher; Narasegowda, R. S.; Yathirajan, H. S.; Anilkumar, H. G.; Narayana, B.","Amlodipine mesylate monohydrate: a twinned and disordered structure","Acta Crystallographica Section E","2006","62","12","o5814","o5816","10.1107/S1600536806046265","","","0.71073","MoKα","","0.0849","0.0476","","","0.1162","0.1281","","","","","","0.946","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2211622","7.6293","0.0009","8.1921","0.0009","26.351","0.003","90","","90.438","0.002","90","","1646.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N^2^{3-[(6-Chloropyridin-3-yl)methyl]-5-cyano-3H-1,2,3-triazol-4-yl}- N^1^,N^1^-bis(2-hydroxyethyl)formamidine","","- C14 H16 Cl N7 O2 -","- C14 H16 Cl N7 O2 -","- C56 H64 Cl4 N28 O8 -","4","1","SJ2156","Xiao-Bao Chen; De-Qing Shi","(<i>E</i>)-<i>N</i>^2^-{3-[(6-Chloropyridin-3-yl)methyl]-5-cyano-3<i>H</i>-1,2,3-triazol-4-yl}-<i>N</i>^1^,<i>N</i>^1^-bis(2-hydroxyethyl)formamidine","Acta Crystallographica Section E","2006","62","12","o5464","o5466","10.1107/S160053680604551X","","","0.71073","MoKα","","0.0673","0.0553","","","0.1359","0.1424","","","","","","1.083","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211623","6.6826","0.0002","10.81","0.0003","23.8901","0.0006","90","","90","","90","","1725.79","0.08","100","0.1","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Tagalsin F","7-Ethenyl-1-[(Z)-hydroxymethylidene]-4b,7,10a-trimethylperhydrophenanthren-2-one","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","SJ2157","Hoong-Kun Fun; Charoen Pakathirathien; Suchada Chantrapromma; Chatchanok Karalai; Kan Chantrapromma","7-Ethenyl-1-[(<i>Z</i>)-hydroxymethylidene]-4b,7,10a-trimethylperhydrophenanthren-2-one","Acta Crystallographica Section E","2006","62","12","o5539","o5541","10.1107/S1600536806046277","","","0.71073","MoKα","","0.0458","0.0406","","","0.1","0.1062","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211624","38.825","0.003","8.5516","0.0006","18.8448","0.0014","90","","108.773","0.001","90","","5923.9","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diethyl 4-iodo-1,22-dioxo-15-(4-pyridylethynyl)-1,20,12,21- tetraazahexacyclo[10.10.2.0^3,8^.0^10,23^.0^14,20^.0^21,24^]tetracosa- 3,5,7,14,16,18-hexaene-23,24-dicarboxylate","","- C33 H28 I N5 O6 -","- C33 H28 I N5 O6 -","- C264 H224 I8 N40 O48 -","8","1","SJ2160","Yun-Feng Chen; Jing Qin; Li-Ping Cao; Meng Gao","Diethyl 4-iodo-1,22-dioxo-15-(4-pyridylethynyl)-1,20,12,21-tetraazahexacyclo[10.10.2.0^3,8^.0^10,23^.0^14,20^.0^21,24^]tetracosa-3,5,7,14,16,18-hexaene-23,24-dicarboxylate: a molecular clip based on bis(ethoxycarbonyl)glycoluril","Acta Crystallographica Section E","2006","62","12","o5881","o5882","10.1107/S1600536806049853","","","0.71073","MoKα","","0.1512","0.0942","","","0.2427","0.2778","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211625","7.7767","0.0016","16.313","0.003","8.2196","0.0016","90","","115.26","0.03","90","","943","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[chloromanganese(II)]-μ~4~-imidazolyl-1,3-diyldiacetato]","","- C7 H7 Cl Mn N2 O4 -","- C7 H7 Cl Mn N2 O4 -","- C28 H28 Cl4 Mn4 N8 O16 -","4","1","SJ2161","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Poly[[chloromanganese(II)]-μ~4~-imidazole-1,3-diyldiacetato]","Acta Crystallographica Section E","2006","62","12","m3365","m3367","10.1107/S1600536806047490","","","0.71073","MoKα","","0.0425","0.0349","","","0.0923","0.0966","","","","","","1.082","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211626","9.6237","0.0004","13.9117","0.0006","13.8744","0.0006","90","","97.317","0.003","90","","1842.41","0.14","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Tetraaqua-(1,10-phenanthroline-5,6-dione-N,<i>N</i>')manganese(II) sulfate hydrate","","- C12 H18 Mn N2 O12 S -","- C12 H18 Mn N2 O12 S -","- C48 H72 Mn4 N8 O48 S4 -","4","0.5","SJ2162","Wang, Xiao-Xia; Sun, Feng; Zhan, Qing-Guang; Wu, Jian-Zhong","Tetraaqua(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')manganese(II) sulfate dihydrate","Acta Crystallographica Section E","2006","62","12","m3380","m3382","10.1107/S160053680604774X","","","0.71073","MoKα","","0.0464","0.0402","","","0.1032","0.1068","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211627","17.194","0.0011","7.476","0.0006","13.795","0.0008","90","","112.99","0.02","90","","1632.4","0.3","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1-naphthyl-4-phenylcyclohexene","1-naphthyl-4-phenylcyclohexene","","- C22 H20 -","- C22 H20 -","- C88 H80 -","4","1","SJ2163","M. Periasamy; Sudha Soundirapandian; S. Athimoolam; A. Ponnusamy; S. Natarajan","1-Naphthyl-4-phenylcyclohexene","Acta Crystallographica Section E","2006","62","12","o5651","o5653","10.1107/S1600536806047696","","","0.71073","MoKα","","0.1003","0.0656","","","0.1915","0.221","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211628","13.6764","0.0006","6.9852","0.0003","37.9306","0.0018","90","","110.253","0.003","90","","3399.6","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzophenone-2,4-dinitrophenylhydrazone","","- C19 H14 N4 O4 -","- C19 H14 N4 O4 -","- C152 H112 N32 O32 -","8","2","SJ2165","Abdassalam Abdelhafiz Tameem; Abdussalam Salhin; Bahruddin Saad; Ismail Ab. Rahman; Muhammad Idiris Saleh; Shea-Lin Ng; Hoong-Kun Fun","Benzophenone 2,4-dinitrophenylhydrazone","Acta Crystallographica Section E","2006","62","12","o5686","o5688","10.1107/S1600536806048112","","","0.71073","MoKα","","0.1809","0.0864","","","0.1965","0.2495","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211629","14.6155","0.0002","8.3133","0.0001","19.3131","0.0002","90","","103.401","0.001","90","","2282.71","0.05","100","0.1","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-methoxybenzenesulfonate monohydrate","2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-methoxybenzenesulfonate monohydrate","","- C26 H27 N O6 S -","- C26 H27 N O6 S -","- C104 H108 N4 O24 S4 -","4","1","SJ2167","Suchada Chantrapromma; Pinanong Rodwatcharapiban; Hoong-Kun Fun","2-[(<i>E</i>)-2-(4-Methoxyphenyl)ethenyl]-1-methylquinolinium 4-methoxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2006","62","12","o5689","o5691","10.1107/S1600536806048124","","","0.71073","MoKα","","0.0701","0.0518","","","0.1368","0.1539","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211630","23.8908","0.0018","16.1042","0.0011","8.4622","0.0006","90","","90","","90","","3255.8","0.4","293","2","293","2","","","","","","","","2","P c c n","-P 2ab 2ac","56","4-tert-butyl-1-naphthylcyclohexene","4-tert-butyl-1-(1-napthyl)cyclohexene","","- C20 H24 -","- C20 H24 -","- C160 H192 -","8","1","SJ2168","M. Periasamy; Sudha Soundirapandian; S. Athimoolam; A. Ponnusamy; S. Natarajan","4-<i>tert</i>-Butyl-1-(1-naphthyl)cyclohexene","Acta Crystallographica Section E","2006","62","12","o5670","o5672","10.1107/S1600536806048434","","","0.71073","MoKα","","0.1659","0.0631","","","0.1983","0.2591","","","","","","1.008","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211631","14.7417","0.0011","6.1208","0.0004","32.941","0.003","90","","90","","90","","2972.3","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3-(3-Hydroxy-4-methoxyphenyl)-1-(2-naphthyl)prop-2-en-1-one","","- C20 H16 O3 -","- C20 H16 O3 -","- C160 H128 O24 -","8","1","SJ2169","Lu, Zhi-Ke; Duan, Xue-Min; Huang, Peng-Mian","(<i>E</i>)-3-(3-Hydroxy-4-methoxyphenyl)-1-(2-naphthyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","12","o5751","o5752","10.1107/S1600536806048859","","","0.7107","MoKα","","0.0656","0.0563","","","0.1355","0.1441","","","","","","1.16","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211632","17.366","0.003","13.13","0.003","30.986","0.007","90","","103.367","0.006","90","","6874","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(O-isobutyl dithiocarbonato-κ^2^S,S')(1,10-phenanthroline)bismuth(III)","","- C27 H35 Bi N2 O3 S6 -","- C27 H35 Bi N2 O3 S6 -","- C216 H280 Bi8 N16 O24 S48 -","8","1","SJ2170","Feng Li; Xian-Xiu Pan; Han-Dong Yin; Jun Zhai; Daqi Wang","Tris(<i>O</i>-isobutyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline)bismuth(III)","Acta Crystallographica Section E","2006","62","12","m3475","m3476","10.1107/S1600536806048732","","","0.71073","MoKα","","0.0792","0.0454","","","0.1015","0.1193","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211633","10.055","0.004","11.476","0.005","11.793","0.005","104.101","0.019","103.065","0.016","107.632","0.016","1189.8","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[aqua(1,10-phenanthroline-κ^2^N,N')nickel(II)]-μ~3~- 4,4'-(ethene-1,2-diyl)dibenzoato-μ~2~-4,4'-(ethene-1,2-diyl)dibenzoato] monohydrate]","","- C28 H22 N2 Ni O6 -","- C28 H22 N2 Ni O6 -","- C56 H44 N4 Ni2 O12 -","2","1","SJ2171","Wang, Huan-Yu; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui","Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ~3~-4,4'-(ethene-1,2-diyl)dibenzoato-μ~2~-4,4'-(ethene-1,2-diyl)dibenzoato] monohydrate]","Acta Crystallographica Section E","2006","62","12","m3395","m3397","10.1107/S1600536806048707","","","0.71073","MoKα","","0.0504","0.0418","","","0.1191","0.1243","","","","","","1.081","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211634","6.9579","0.0012","9.8402","0.0018","11.686","0.002","74.127","0.003","78.039","0.003","82.196","0.003","750.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-(3-Methylphenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione","","- C16 H15 N3 O S -","- C16 H15 N3 O S -","- C32 H30 N6 O2 S2 -","2","1","SJ2172","Wei, Tai-Bao; Luo, Rong; Liu, Hong; Zhang, You-Ming; Lu, Tong-Bu","5-(3-Methylphenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione","Acta Crystallographica Section E","2006","62","12","o5883","o5884","10.1107/S1600536806049373","","","0.71073","MoKα","","0.0453","0.0342","","","0.0886","0.0976","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211635","15.939","0.005","8.012","0.002","11.997","0.003","90","","105.919","0.005","90","","1473.3","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Aminobenzyl)-N,4-dimethylbenzenesulfonamide","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","SJ2173","Shi Ming-Wang; Chen Xi-Ling","<i>N</i>-(4-Aminobenzyl)-<i>N</i>,4-dimethylbenzenesulfonamide","Acta Crystallographica Section E","2006","62","12","o5885","o5886","10.1107/S1600536806050197","","","0.71073","MoKα","","0.1479","0.0467","","","0.099","0.1318","","","","","","0.936","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211636","11.1939","0.0004","14.8324","0.0005","12.402","0.0004","90","","104.241","0.002","90","","1995.86","0.12","106","2","106","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[N-(isopropylidene)propane-1,3-diamine-κ^2^N](perchlorato-κO)copper(II) perchlorate","","- C12 H28 Cl2 Cu N4 O8 -","- C12 H28 Cl2 Cu N4 O8 -","- C48 H112 Cl8 Cu4 N16 O32 -","4","1","SJ2178","Neil F. Curtis; Ward T. Robinson","Bis[<i>N</i>-(isopropylidene)propane-1,3-diamine-κ^2^<i>N</i>](perchlorato-κ<i>O</i>)copper(II) perchlorate","Acta Crystallographica Section E","2006","62","12","m3588","m3590","10.1107/S160053680605046X","","","0.71073","MoKα","","0.0634","0.0377","","","0.0944","0.1088","","","","","","1.046","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211637","11.5227","0.0011","9.1244","0.0009","20.782","0.002","90","","96.757","0.002","90","","2169.8","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aqua(N,N'-ethane-1,2-diylbis{N-[(3-nitrophenyl)methyl]glycinato})copper(II)","","- C20 H22 Cu N4 O9 -","- C20 H22 Cu N4 O9 -","- C80 H88 Cu4 N16 O36 -","4","0.5","TK2089","Hui-Li Weng; Min Zhang; Xing-Man Xu","Aqua(<i>N</i>,<i>N</i>'-ethane-1,2-diylbis{<i>N</i>-[(3-nitrophenyl)methyl]glycinato})copper(II)","Acta Crystallographica Section E","2006","62","12","m3500","m3501","10.1107/S1600536806046198","","","0.71073","MoKα","","0.045","0.038","","","0.103","0.117","","","","","","1.13","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211638","8.694","0.0002","8.9993","0.0002","16.2542","0.0004","90","","102.089","0.001","90","","1243.52","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5'-(Piperazine-1,4-diyl)bis(8-chloropyrido[2,3-<i>b</i>][1,5]benzoxazepine)","","- C28 H20 Cl2 N6 O2 -","- C28 H20 Cl2 N6 O2 -","- C56 H40 Cl4 N12 O4 -","2","0.5","TK2092","Capuano, Ben; Crosby, Ian T.; Forsyth, Craig M.; Lloyd, Edward J.; Vom, Amelia; Yuriev, Elizabeth","5,5'-(Piperazine-1,4-diyl)bis(8-chloropyrido[2,3-<i>b</i>][1,5]benzoxazepine)","Acta Crystallographica Section E","2006","62","12","o5434","o5436","10.1107/S160053680604520X","","","0.71073","MoKα","","0.067","0.04","","","0.093","0.104","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211639","9.7697","0.0005","11.2981","0.001","12.7974","0.0015","64.193","0.004","87.07","0.003","78.989","0.004","1247.5","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","Aquachlorobis(1,10-phenanthroline)nickel(II) chloride thioacetamide solvate","","- C26 H23 Cl2 N5 Ni O S -","- C26 H23 Cl2 N5 Ni O S -","- C52 H46 Cl4 N10 Ni2 O2 S2 -","2","1","TK2093","H. Zhong; X.-R. Zeng; Q.-Y. Luo","Aquachlorobis(1,10-phenanthroline)nickel(II) chloride thioacetamide solvate","Acta Crystallographica Section E","2006","62","12","m3429","m3431","10.1107/S1600536806048604","","","0.71073","MoKα","","0.106","0.043","","","0.112","0.126","","","","","","0.98","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211640","11.251","0.01","14.86","0.014","12.396","0.012","90","","90","","90","","2072","3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis(2-aminoethyl-1H-benzimidazole)chlorocopper(II) nitrate","","- C18 H22 Cl Cu N7 O3 -","- C18 H22 Cl Cu N7 O3 -","- C72 H88 Cl4 Cu4 N28 O12 -","4","0.5","TK2095","Hai-Yan Zhao; Min-Li Yang; Feng-Juan Shen","Bis(2-aminoethyl-1<i>H</i>-benzimidazole)chlorocopper(II) nitrate","Acta Crystallographica Section E","2006","62","12","m3343","m3344","10.1107/S1600536806046897","","","0.71073","MoKα","","0.075","0.038","","","0.091","0.106","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211641","23.794","0.002","6.8422","0.0005","13.244","0.001","90","","123.135","0.006","90","","1805.5","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(1,2-dihydroxybenzene) hexamethylenetetramine","","- C18 H24 N4 O4 -","- C18 H24 N4 O4 -","- C72 H96 N16 O16 -","4","0.5","TK2096","Daka, Philias; Wheeler, Kraig A.","Bis(1,2-dihydroxybenzene) hexamethylenetetramine","Acta Crystallographica Section E","2006","62","12","o5477","o5479","10.1107/S1600536806046204","","","0.71073","MoKα","","0.094","0.051","","","0.102","0.119","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211642","6.4213","0.0013","23","0.005","7.407","0.0015","90","","96.11","0.03","90","","1087.7","0.4","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Heptaaquabis(4-formylbenzoateto-κO)barium(II)","","- C16 H24 Ba O13 -","- C16 H24 Ba O13 -","- C32 H48 Ba2 O26 -","2","0.5","TK2097","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Heptaaquabis(4-formylbenzoato-κ<i>O</i>)barium(II)","Acta Crystallographica Section E","2006","62","12","m3230","m3232","10.1107/S1600536806046216","","","0.71073","MoKα","","0.02","0.018","","","0.042","0.043","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211643","7.8846","0.001","7.9971","0.0016","11.5181","0.0008","81.2","0.01","91.08","0.008","109.782","0.01","674.93","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","","6-Nitro-1-(phenylsulfonyl)-1H-indole","","- C14 H10 N2 O4 S -","- C14 H10 N2 O4 S -","- C28 H20 N4 O8 S2 -","2","1","TK2100","Kishbaugh, Tara; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P.","6-Nitro-1-(phenylsulfonyl)-1<i>H</i>-indole","Acta Crystallographica Section E","2006","62","12","o5760","o5762","10.1107/S1600536806048616","","","0.71069","MoKα","","0.098","0.042","","0.136","0.106","0.106","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211644","5.8601","0.0006","16.732","0.002","12.5363","0.0016","90","","93.522","0.009","90","","1226.9","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","p'-methylchalcone","3-(4-methylphenyl)-1-phenyl-2-propenone","","- C16 H14 O -","- C16 H14 O -","- C64 H56 O4 -","4","1","TK2107","Treadwell, Edward M.","4'-Methylchalcone","Acta Crystallographica Section E","2006","62","12","o5899","o5900","10.1107/S1600536806050070","","","1.54178","CuKα","","0.07","0.05","","","0.133","0.148","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211645","13.6507","0.0017","6.0856","0.0006","23.12","0.003","90","","102.76","0.016","90","","1873.2","0.4","163","2","163","2","","","","","","","","4","C 1 2 1","C 2y","5","methyl 12-chlorodehydroabietate","methyl 6-chloro-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene- 1-carboxylate","","- C21 H29 Cl O2 -","- C21 H29 Cl O2 -","- C84 H116 Cl4 O8 -","4","1","WK2031","Ye Zhang; Ying-Ming Pan; Heng-Shan Wang; Qiang Wu; Yong Zhang","Methyl 12-chlorodehydroabietate","Acta Crystallographica Section E","2006","62","12","o5425","o5426","10.1107/S1600536806045004","","","0.71073","MoKα","","0.0394","0.0356","","","0.0793","0.0812","","","","","","1.087","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211646","10.1456","0.0015","10.761","0.0017","16.481","0.003","90","","90","","90","","1799.3","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butyl chloroacetate","","- C16 H19 Cl2 N3 O3 -","- C16 H19 Cl2 N3 O3 -","- C64 H76 Cl8 N12 O12 -","4","1","WK2032","Zhi-Qiang Hu; Kai Zhou; Qi Zhu; Zhong-Jie Xu; Wen-Zhao Bi","1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butyl chloroacetate","Acta Crystallographica Section E","2006","62","12","o5836","o5837","10.1107/S1600536806044989","","","0.71073","MoKα","","0.0606","0.0362","","","0.0679","0.0752","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211647","7.8353","0.0007","12.8777","0.0012","13.2129","0.0012","83.522","0.002","79.288","0.002","83.049","0.002","1294.7","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","1,1'-Methylene-bis(3-methylimidazolium) Dipicrate","","- C21 H18 N10 O14 -","- C21 H18 N10 O14 -","- C42 H36 N20 O28 -","2","1","WK2033","Jin, Chuan-Ming; Wu, Ling-Yan; Han, De-Yan; Hu, Yan-Jun","1,1'-Methylenebis(3-methylimidazolium) dipicrate","Acta Crystallographica Section E","2006","62","12","o5619","o5620","10.1107/S1600536806047854","","","0.71073","MoKα","","0.0611","0.0498","","","0.1321","0.144","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211648","8.0502","0.0016","5.5733","0.0011","17.698","0.004","90","","94.88","0.03","90","","791.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-(4,5-dihydro-1H-imidazol-2-yl)phenolate-κ^2^N,O]nickel(II)","","- C18 H18 N4 Ni O2 -","- C18 H18 N4 Ni O2 -","- C36 H36 N8 Ni2 O4 -","2","0.5","WK2034","He, Hong-Shan","Bis[2-(4,5-dihydro-1<i>H</i>-imidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]nickel(II)","Acta Crystallographica Section E","2006","62","12","m3537","m3538","10.1107/S160053680604935X","","","0.71073","MoKα","","0.0424","0.0289","","","0.0765","0.083","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211649","8.6128","0.0006","8.6128","0.0006","19.897","0.002","90","","90","","120","","1278.22","0.18","293","2","293.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","sodium scandium orthoborate","Trisodium discandium trisorthoborate","","- B3 Na3 O9 Sc2 -","- B3 Na3 O9 Sc2 -","- B18 Na18 O54 Sc12 -","6","0.166667","WM2044","Yang Zhang; Ning Ye; Douglas A. Keszler","Na~3~Sc~2~(BO~3~)~3~","Acta Crystallographica Section E","2006","62","12","i266","i268","10.1107/S1600536806036737","","","0.71073","MoKα","","","0.0189","","","","0.0553","","","","","","1.403","","","","has coordinates,has Fobs","201211","2020-10-21","18:00:00",""
"2211650","10.3224","0.0002","8.9071","0.0003","10.9608","0.0003","90","","106.211","0.002","90","","967.7","0.05","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rubidium terbium polyphosphate","rubidium terbium tetraphosphate","","- O12 P4 Rb Tb -","- O12 P4 Rb Tb -","- O48 P16 Rb4 Tb4 -","4","1","WM2051","Khlissa, Faycel; Férid, Mokhtar","Rubidium terbium polyphosphate","Acta Crystallographica Section E","2006","62","12","i272","i273","10.1107/S1600536806041389","","","0.71073","MoKα","","0.0295","0.0248","","","0.0647","0.0969","","","","","","1.267","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211651","10.463","0.0004","10.463","0.0004","37.241","0.001","90","","90","","120","","3530.7","0.2","295","2","295","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","decacalcium potassium heptakis(orthophosphate)","decacalcium potassium heptakis(orthophosphate)","","- Ca10 K O28 P7 -","- Ca10 K O28 P7 -","- Ca60 K6 O168 P42 -","6","0.333333","WM2060","Malin Hannah Sandström; Dan Boström","Ca~10~K(PO~4~)~7~ from single-crystal data","Acta Crystallographica Section E","2006","62","12","i253","i255","10.1107/S1600536806047003","","","0.71073","MoKα","","0.027","0.0262","","","0.0636","0.0642","","","","","","1.085","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211652","4.5979","0.0002","9.951","0.0005","3.0178","0.0001","90","","90","","90","","138.076","0.01","273","2","273","2","","","","","","","","3","P b n m","-P 2c 2ab","62","Goethite","Goethite","","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.5","WM2061","Yang, Hexiong; Lu, Ren; Downs, Robert T.; Costin, Gelu","Goethite, α-FeO(OH), from single-crystal data","Acta Crystallographica Section E","2006","62","12","i250","i252","10.1107/S1600536806047258","","","0.71073","MoKα","","0.0197","0.0186","","","0.0513","0.0518","","","","","","1.15","","","","has coordinates,has Fobs","282540","2023-04-10","17:09:03",""
"2211653","21.178","0.003","12.94","0.002","10.11","0.002","90","","105.77","0.01","90","","2666.3","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dipotassium hexahydrogen hexamolybdoplatinate(IV) hexahydrate","","- H18 K2 Mo6 O30 Pt -","- H14 K2 Mo6 O30 Pt -","- H56 K8 Mo24 O120 Pt4 -","4","0.5","WM2064","Lee, Uk; Joo, Hea-Chung","Dipotassium hexahydrogen hexamolybdoplatinate(IV) hexahydrate","Acta Crystallographica Section E","2006","62","12","i241","i243","10.1107/S1600536806046125","","","0.71069","MoKα","","0.0459","0.0328","","","0.0722","0.0814","","","","","","1.159","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211654","7.6017","0.0002","13.2521","0.0004","11.3396","0.0003","90","","103.873","0.001","90","","1109.01","0.05","273","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichloro(N,N,N',N'-tetramethylethylenediamine)zinc(II)","","- C6 H16 Cl2 N2 Zn -","- C6 H16 Cl2 N2 Zn -","- C24 H64 Cl8 N8 Zn4 -","4","1","WM2065","Di-Mei Chen; Xin-Ju Ma; Bing Tu; Wen-Jie Feng; Zhi-Min Jin","Redetermination of dichloro(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)zinc(II)","Acta Crystallographica Section E","2006","62","12","m3174","m3175","10.1107/S1600536806045016","","","0.71073","MoKα","","0.0266","0.0254","","","0.0644","0.065","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211655","9.8287","0.0002","7.5642","0.0001","12.7905","0.0002","90","","90","","90","","950.93","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Caesium calcium cyclo-triphosphate","","- Ca Cs O9 P3 -","- Ca Cs O9 P3 -","- Ca4 Cs4 O36 P12 -","4","0.5","WM2070","Zatovsky, Igor V.; Strutynska, Nataliya Yu.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.","Caesium calcium <i>cyclo</i>-triphosphate, CsCaP~3~O~9~","Acta Crystallographica Section E","2006","62","12","i263","i265","10.1107/S160053680604832X","","","0.71073","MoKα","","0.0294","0.0199","","","0.0377","0.0411","","","","","","1.131","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211656","8.7692","0.0019","9.621","0.002","17.137","0.004","90","","94.842","0.004","90","","1440.7","0.5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ammonium trichloro(hexamethylenetetramine)zincate 1.5-hydrate","","- C6 H19 Cl3 N5 O1.5 Zn -","- C6 H19 Cl3 N5 O1.5 Zn -","- C24 H76 Cl12 N20 O6 Zn4 -","4","1","WM2072","Ya-Qian Cheng; Lu-Ping Lv; Jian-Wu Xie; Hai-Bin Wang; Zhi-Min Jin","Ammonium trichloro(hexamethylenetetramine)zincate(II) sesquihydrate","Acta Crystallographica Section E","2006","62","12","m3591","m3593","10.1107/S1600536806050550","","","0.71073","MoKα","","0.0484","0.0395","","","0.089","0.0931","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","203559","2020-10-21","18:00:00",""
"2211657","4.768","0.003","25.59","0.016","12.821","0.008","90","","97.687","0.01","90","","1550.3","1.7","292","2","292","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ethyl 6-oxo-1,6-dihydropyrimidine-5-carboxylate‒ethyl 4-oxo-1,4-dihydropyrimidine-5-carboxylate (1/1)","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C56 H64 N16 O24 -","8","2","WN2076","De-Jun Xiong; Cui-Ping Han; Hai-Bing Li","Two tautomers in one crystal structure: ethyl 6(4)-oxo-1,6(1,4)-dihydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2006","62","12","o5501","o5502","10.1107/S1600536806045995","","","0.71073","MoKα","","0.0767","0.0527","","","0.1088","0.1176","","","","","","1.033","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2211658","7.0218","0.0001","12.9673","0.0003","16.3207","0.0003","98.143","0.001","101.884","0.001","100.312","0.001","1405.91","0.05","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","[1,1'-Diferrocenyl-3,3'-(ethane-1,2-diyldinitrilo)dibutanolato]nickel(II) dichloromethane solvate","","- C31 H32 Cl2 Fe2 N2 Ni O2 -","- C31 H32 Cl2 Fe2 N2 Ni O2 -","- C62 H64 Cl4 Fe4 N4 Ni2 O4 -","2","1","WN2079","Boyd, Peter D.W.; Johns, Paul M.; Rickard, Clifton E.F.","[1,1'-Diferrocenyl-3,3'-(ethane-1,2-diyldinitrilo)dibutanolato]nickel(II) dichloromethane solvate","Acta Crystallographica Section E","2006","62","12","m3260","m3262","10.1107/S1600536806046174","","","0.71073","MoKα","","0.0352","0.0268","","","0.0647","0.0697","","","","","","0.9","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211659","7.872","0.005","11.8","0.007","12.277","0.007","90.238","0.01","91.757","0.01","108.391","0.009","1081.5","1.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","5-(2-Methoxycarbonyl-1-methyl-vinylcarbamoyl) -2,6-dimethyl-4-(3-nitro-phenyl)-1,4- dihydropyridine-3-carboxylic acid methyl ester water solvate","Methyl 5-[N-(2-methoxycarbonyl-1-methylvinyl)carbamoyl]-2,6-dimethyl- 4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate monohydrate","","- C21 H25 N3 O8 -","- C21 H25 N3 O8 -","- C42 H50 N6 O16 -","2","1","WN2080","Sun, Feng-Xia; Yu, Yi-Feng; Wang, Shuai; Xing, Cui-Juan","Methyl 5-[<i>N</i>-(2-methoxycarbonyl-1-methylvinyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate monohydrate","Acta Crystallographica Section E","2006","62","12","o5379","o5380","10.1107/S1600536806045284","","","0.71073","MoKα","","0.0922","0.0482","","","0.1138","0.1383","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211660","11.529","0.0008","11.3445","0.0008","16.9415","0.0012","90","","94.124","0.001","90","","2210.1","0.3","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 O -","- C29 H26 O -","- C116 H104 O4 -","4","1","WN2081","Hua-Ming Huang; Qiao-Yun Du; Hong-Bing Yang; Jian-Ge Wang","3,3-Bis(3,5-dimethylphenyl)-3<i>H</i>-benzo[<i>f</i>]chromene","Acta Crystallographica Section E","2006","62","12","o5713","o5715","10.1107/S1600536806048136","","","0.71073","MoKα","","0.0893","0.0489","","","0.1242","0.146","","","","","","1.025","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211661","6.7256","0.0014","12.92","0.003","14.091","0.003","90","","90","","90","","1224.4","0.5","88","2","88","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1L-1-Amino-1-deoxy-2,3,4,5-tetra-O-methyl-scyllo-inositol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","WN2082","Gainsford, Graeme J.; Lensink, Cornelis; Falshaw, Andrew; Mee, Simon P.H.","1<small>L</small>-1-Amino-1-deoxy-2,3,4,5-tetra-<i>O</i>-methyl-<i>scyllo</i>-inositol","Acta Crystallographica Section E","2006","62","12","o5411","o5413","10.1107/S1600536806045430","","","0.71073","MoKα","","0.0711","0.0332","","","0.0604","0.0648","","","","","","0.833","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211662","6.2827","0.0001","19.5377","0.0003","7.5025","0.0001","90","","95.923","0.001","90","","916.01","0.02","100","0.1","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","2-(4-Hydroxystyryl)-1-methylpyridinium 4-bromobenzenesulfonate","2-(4-Hydroxystyryl)-1-methylpyridinium 4-bromobenzenesulfonate","","- C20 H18 Br N O4 S -","- C20 H18 Br N O4 S -","- C40 H36 Br2 N2 O8 S2 -","2","1","WN2084","Suchada Chantrapromma; Pumsak Ruanwas; Hoong-Kun Fun; P. S. Patil","2-(4-Hydroxystyryl)-1-methylpyridinium 4-bromobenzenesulfonate","Acta Crystallographica Section E","2006","62","12","o5494","o5496","10.1107/S1600536806046137","","","0.71073","MoKα","","0.0248","0.0236","","","0.0573","0.0576","","","","","","1.065","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211663","23.4341","0.0017","6.7434","0.0005","22.6048","0.0016","90","","91.57","0.001","90","","3570.8","0.4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{4,6-Dichloro-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4- yl)iminomethyl]phenolato-κ^2^N,O}copper(II)","","- C36 H28 Cl4 Cu N6 O4 -","- C36 H28 Cl4 Cu N6 O4 -","- C144 H112 Cl16 Cu4 N24 O16 -","4","0.5","WN2089","Guo-Bing Yan; Ming-Hua Yang; Yun-Fa Zheng","{4,6-Dichloro-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}copper(II)","Acta Crystallographica Section E","2006","62","12","m3481","m3482","10.1107/S1600536806049233","","","0.71073","MoKα","","0.0422","0.0349","","","0.1008","0.1051","","","","","","1.084","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211664","7.0477","0.0008","15.1868","0.0017","24.426","0.003","90","","90","","90","","2614.4","0.5","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-(4-nitrobenzylideneamino)phenyl)acetamide","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C120 H104 N24 O24 -","8","1","WN2091","Wu, Yun; Zhao, Bo; Li, Baolong","<i>N</i>-[4-(4-Nitrobenzylideneamino)phenyl]acetamide","Acta Crystallographica Section E","2006","62","12","o5677","o5678","10.1107/S1600536806048173","","","0.7107","MoKα","","0.0699","0.0634","","","0.1385","0.1421","","","","","","1.152","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211665","10.9098","0.0002","22.715","0.0004","11.8579","0.0002","90","","105.011","0.001","90","","2838.3","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-{[N-(2-iodophenyl)phenylsulfonamido]methyl}-1-phenylsulfonyl- 1H-indole-3-carboxylate","","- C30 H25 I N2 O6 S2 -","- C30 H25 I N2 O6 S2 -","- C120 H100 I4 N8 O24 S8 -","4","1","WN2093","G. Senthil Kumar; K. Chinnakali; N. Ramesh; A. K. Mohanakrishnan; Hoong-Kun Fun","Ethyl 2-{[<i>N</i>-(2-iodophenyl)phenylsulfonamido]methyl}-1-phenylsulfonyl-1<i>H</i>-indole-3-carboxylate","Acta Crystallographica Section E","2006","62","12","o5905","o5907","10.1107/S1600536806049488","","","0.71073","MoKα","","0.0405","0.0331","","","0.0816","0.0876","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211666","9.597","0.005","10.907","0.005","20.607","0.005","90","","91.97","0.005","90","","2155.8","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2Z)-Ethyl 2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro- 5H-1,3thiazolo[3,2-a]pyrimidine-6-carboxylate","","- C23 H19 Cl N2 O3 S -","- C23 H19 Cl N2 O3 S -","- C92 H76 Cl4 N8 O12 S4 -","4","1","WN2094","Jotani, Mukesh M.; Baldaniya, Bharat B.","(2<i>Z</i>)-Ethyl 2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-1,3thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2006","62","12","o5871","o5873","10.1107/S1600536806050379","","","0.71069","MoKα","","0.0995","0.0651","","","0.1305","0.1446","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211667","8.2138","0.0012","11.2601","0.0016","16.79","0.002","90","","93.277","0.002","90","","1550.3","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H26 N12 Ni O6 -","- C30 H26 N12 Ni O6 -","- C60 H52 N24 Ni2 O12 -","2","0.5","WW2052","Yan, Guo-Bing","Bis[2,6-bis(2-pyridylamino)pyridine]nickel(II) dinitrate","Acta Crystallographica Section E","2006","62","12","m3551","m3553","10.1107/S1600536806049919","","","0.71073","MoKα","","0.0599","0.0508","","","0.1407","0.1479","","","","","","1.003","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211668","5.714","0.002","9.672","0.004","10.869","0.003","98.19","0.02","96.71","0.02","93.35","0.03","588.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-[1-(2-Hydroxypropyliminio)ethyl]-5-methoxyphenolate","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C24 H34 N2 O6 -","2","1","WW2054","Zhang, Zhen-Ming; Li, Shu-An","2-[1-(2-Hydroxypropyliminio)ethyl]-5-methoxyphenolate","Acta Crystallographica Section E","2006","62","12","o5916","o5917","10.1107/S1600536806050276","","","0.71073","MoKα","","0.0889","0.0412","","","0.0754","0.0814","","","","","","0.986","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211669","5.614","0.0005","17.8226","0.0014","11.0657","0.001","90","","93.72","0.007","90","","1104.86","0.17","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-4-(p-Tolyldiazenyl}phenol","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","WW2058","Petek, Hande; Erşahi̇n, Ferda; Albayrak, Çi̇ğdem; Ağar, Erbi̇l; Şenel, İsmet","(<i>E</i>)-4-(<i>p</i>-Tolyldiazenyl)phenol","Acta Crystallographica Section E","2006","62","12","o5874","o5875","10.1107/S1600536806049890","","","0.71073","MoKα","","0.1089","0.054","","","0.136","0.16","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211670","6.6433","0.0019","11.278","0.004","22.951","0.008","90","","90","","90","","1719.6","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pregna-1,4,9(11),16-tetraene-3,20-dione","","- C21 H24 O2 -","- C21 H24 O2 -","- C84 H96 O8 -","4","1","XU2130","Zhang, Guo-Lin; Peng, Hong-Yun","Pregna-1,4,9(11),16-tetraene-3,20-dione","Acta Crystallographica Section E","2006","62","12","o5534","o5535","10.1107/S1600536806046514","","","0.71073","MoKα","","0.073","0.039","","","0.097","0.124","","","","","","1.11","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211671","7.0658","0.0005","8.8036","0.0006","20.5831","0.0014","96.587","0.001","90.122","0.001","94.255","0.001","1268.33","0.15","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","1,1'-Methylenebis(4-methyl-1H-triazolium) dipicrate","","- C19 H16 N12 O14 -","- C19 H16 N12 O14 -","- C38 H32 N24 O28 -","2","1","XU2143","Jin, Chuan-Ming; Chen, Cai-Yuan; Wang, Wei-Dong; Zhou, Xin-Wan","1,1'-Methylenebis(4-methyl-1<i>H</i>-triazolium) dipicrate","Acta Crystallographica Section E","2006","62","12","o5381","o5382","10.1107/S1600536806045181","","","0.71073","MoKα","","0.058","0.046","","","0.127","0.133","","","","","","1.076","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211672","7.9573","0.0013","5.4679","0.0015","11.043","0.003","90","","109.173","0.016","90","","453.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,4-Dihydroxy-4-phenylbutan-2-one","","- C10 H12 O3 -","- C10 H12 O3 -","- C20 H24 O6 -","2","1","XU2144","Long He; Hai-Lan Yang; Tai-Ran Kang","1,4-Dihydroxy-4-phenylbutan-2-one","Acta Crystallographica Section E","2006","62","12","o5656","o5657","10.1107/S1600536806048549","","","0.71073","MoKα","","0.069","0.045","","","0.114","0.125","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211673","7.4056","0.0009","8.9749","0.001","11.4207","0.0013","93.867","0.002","105.193","0.002","99.152","0.002","718.46","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis[μ-1,3-bis(imidazol-1-yl)benzene-κ^2^N^3^:N^3'^]bis[diazidozinc(II)]","","- C24 H20 N20 Zn2 -","- C24 H20 N20 Zn2 -","- C24 H20 N20 Zn2 -","1","0.5","XU2146","Xu, Wei-Dong; Shu, Mou-Hai","Bis[μ-1,3-bis(imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[diazidozinc(II)]","Acta Crystallographica Section E","2006","62","12","m3341","m3342","10.1107/S1600536806047313","","","0.71073","MoKα","","0.045","0.037","","","0.098","0.138","","","","","","1.222","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211674","14.1063","0.0008","7.2927","0.0004","13.8748","0.0008","90","","98.834","0.001","90","","1410.41","0.14","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2,4-dichloro-5-fluorophenyl)-4-(2-hydroxyethyl)morpholin-4-ium chloride","","- C12 H15 Cl3 F N O2 -","- C12 H15 Cl3 F N O2 -","- C48 H60 Cl12 F4 N4 O8 -","4","1","XU2149","Gao Cao; Ai-Xi Hu","2-(2,4-Dichloro-5-fluorophenyl)-4-(2-hydroxyethyl)morpholin-4-ium chloride","Acta Crystallographica Section E","2006","62","12","o5377","o5378","10.1107/S1600536806045272","","","0.71073","MoKα","","0.053","0.035","","","0.082","0.091","","","","","","1.051","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211675","9.8517","0.0017","11.3516","0.0018","33.451","0.008","90","","90","","90","","3740.9","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-[(2-hydroxynaphthalen-1-yl)(phenyl)methyl]benzamide","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C192 H152 N8 O16 -","8","1","XU2150","Bazgir, Ayoob; Amani, Vahid; Khavasi, Hamid Reza","<i>N</i>-[(2-Hydroxynaphthalen-1-yl)(phenyl)methyl]benzamide","Acta Crystallographica Section E","2006","62","12","o5523","o5524","10.1107/S1600536806046526","","","0.71073","MoKα","","0.11","0.08","","","0.137","0.15","","","","","","1.182","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211676","7.7303","0.0016","21.938","0.005","18.932","0.004","90","","94.614","0.003","90","","3200.2","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole-κN^3^}(perchlorato- κO)[tris(2-aminoethyl)amine-κ^4^N]copper(II) perchlorate","","- C28 H35 Cl3 Cu N6 O8 -","- C28 H35 Cl3 Cu N6 O8 -","- C112 H140 Cl12 Cu4 N24 O32 -","4","1","XU2152","Zhen-Ming Zhang; Yi-Cui Jin; Da-Qi Wang; Jian Gao; Tong-Tao Xu","{1-[(2-Chlorophenyl)diphenylmethyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}(perchlorato-κ<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>]copper(II) perchlorate","Acta Crystallographica Section E","2006","62","12","m3414","m3415","10.1107/S1600536806048720","","","0.71073","MoKα","","0.087","0.056","","","0.141","0.165","","","","","","1.019","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211677","11.547","0.003","10.503","0.003","17.469","0.003","90","","91","0.003","90","","2118.3","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 N2 O4 Zn -","- C20 H24 Cl2 N2 O4 Zn -","- C80 H96 Cl8 N8 O16 Zn4 -","4","1","XU2153","Zhen-Ming Zhang; Da-Qi Wang; Tong-Tao Xu; Jian Gao","{<i>N</i>,<i>N</i>'-Bis[1-(2-hydroxy-4-methoxyphenyl)ethylidene]ethylenediamine-κ^2^<i>O</i>,<i>O</i>'}dichlorozinc(II)","Acta Crystallographica Section E","2006","62","12","m3416","m3417","10.1107/S1600536806047969","","","0.71073","MoKα","","0.125","0.074","","","0.188","0.217","","","","","","1.034","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211678","15.252","0.005","8.884","0.003","28.866","0.01","90","","103.41","0.006","90","","3805","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-chloro-bis({3-[(2-hydroxy-1-methyl-2-phenylethyl)iminomethyl]- 2-naphtholato-κ^3^N,O,O'}copper(II)) methanol solvate","","- C41 H40 Cl2 Cu2 N2 O5 -","- C41 H40 Cl2 Cu2 N2 O5 -","- C164 H160 Cl8 Cu8 N8 O20 -","4","1","XU2156","Shu-An Li; Yi-Cui Jin; Tong-Tao Xu; Da-Qi Wang; Jian Gao","Di-μ-chloro-bis({3-[(2-hydroxy-1-methyl-2-phenylethyl)iminomethyl]-2-naphtholato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>'}copper(II)) methanol solvate","Acta Crystallographica Section E","2006","62","12","m3496","m3497","10.1107/S1600536806049543","","","0.71073","MoKα","","0.163","0.066","","","0.149","0.211","","","","","","1.012","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211679","11.861","0.005","7.111","0.003","11.996","0.005","90","","96.987","0.007","90","","1004.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Methoxyphenyl)-6-methyl-1,2,4,5-tetrazine","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","XU2157","Feng Xu; Wei-Xiao Hu","3-(4-Methoxyphenyl)-6-methyl-1,2,4,5-tetrazine","Acta Crystallographica Section E","2006","62","12","o5639","o5640","10.1107/S1600536806047520","","","0.71073","MoKα","","0.132","0.059","","","0.148","0.181","","","","","","0.928","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211680","11.205","0.007","10.452","0.007","11.031","0.008","90","","108.051","0.011","90","","1228.3","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N3 O2 -","- C12 H16 N3 O2 -","- C48 H64 N12 O8 -","4","0.5","XU2158","Chen-Xi Zhang; Yu-Ying Zhang","4,4,5,5-Tetramethyl-2-(4-pyridyl)imidazolin-1-oxyl 3-oxide","Acta Crystallographica Section E","2006","62","12","o5666","o5667","10.1107/S1600536806048161","","","0.71073","MoKα","","0.157","0.079","","","0.168","0.206","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211681","13.5903","0.0013","8.6378","0.0009","30.169","0.003","90","","90","","90","","3541.5","0.6","113","2","113","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-1-(naphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C22 H20 O4 -","- C22 H20 O4 -","- C176 H160 O32 -","8","1","XU2159","Lu, Zhi-Ke; Huang, Peng-Mian; Yu, Jiang-Fan","(<i>E</i>)-1-(2-Naphthyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","12","o5753","o5754","10.1107/S160053680604815X","","","0.7107","MoKα","","0.073","0.066","","","0.142","0.146","","","","","","1.225","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211682","8.2416","0.0009","16.9464","0.0019","10.9065","0.0012","90","","106.663","0.003","90","","1459.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(5-Nitrothiophen-2-ylmethylene)amino]-5-(thiophen-2-ylmethyl)- 1H-1,2,4-triazol-5(4H)-one","","- C12 H9 N5 O3 S2 -","- C12 H9 N5 O3 S2 -","- C48 H36 N20 O12 S8 -","4","1","XU2161","Ustabaş, Reşat; Çoruh, Ufuk; Sancak, Kemal; Ünver, Yasemin; Vázquez-López, Ezequiel M.","4-[(5-Nitrothiophen-2-ylmethylene)amino]-5-(thiophen-2-ylmethyl)-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5520","o5522","10.1107/S160053680604654X","","","0.71073","MoKα","","0.161","0.057","","","0.105","0.127","","","","","","0.832","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211683","11.431","0.002","5.395","0.001","7.771","0.002","90","","92","0.03","90","","478.95","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ-1-methyl-1,2,3,4-tetrazol-5-ylthiolato)cadmium(II)]","","- C4 H6 Cd N8 S2 -","- C4 H6 Cd N8 S2 -","- C8 H12 Cd2 N16 S4 -","2","0.5","XU2163","Zhang, Xiu-Ling; Qiu, Yue; Ng, Seik Weng","Poly[bis(μ-1-methyl-1,2,3,4-tetrazol-5-ylthiolato)cadmium(II)]","Acta Crystallographica Section E","2006","62","12","m3301","m3302","10.1107/S160053680604699X","","","0.71073","MoKα","","0.031","0.029","","","0.077","0.078","","","","","","1.09","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211684","16.082","0.003","23.602","0.005","9.71","0.002","90","","90","","90","","3685.6","1.3","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis(4-formylbenzoato-<i>κ</i>^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-\ <i>κ</i>^2^<i>N</i>,<i>N</i>')cadmium(II)‒bis(<i>μ</i>~2~-4-\ formylbenzoato-<i>κ</i>^2^<i>O</i>:<i>O</i>')bis[(4-formylbenzoato-\ <i>κ</i>^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-<i>κ</i>^2^<i>N</i>,\ <i>N</i>')cadmium(II)] (1/1)","","- C84 H54 Cd3 N6 O18 -","- C84 H54 Cd3 N6 O18 -","- C168 H108 Cd6 N12 O36 -","2","0.5","XU2164","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","Bis(4-formylbenzoato-<i>{κ</i>}^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-<i>{κ</i>}^2^<i>N</i>,<i>N</i>')cadmium(II)‒bis(<i>{μ</i>}~2~-4-formylbenzoato-<i>{κ</i>}^2^<i>O</i>:<i>O</i>')bis[(4-formylbenzoato-<i>{κ</i>}^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-<i>{κ</i>}^2^<i>N</i>,<i>N</i>')cadmium(II)] (1/1)","Acta Crystallographica Section E","2006","62","12","m3432","m3434","10.1107/S1600536806048082","","","0.71073","MoKα","","0.051","0.033","","","0.064","0.069","","","","","","0.99","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211685","6.347","0.0003","7.4194","0.0004","12.5041","0.0007","92.353","0.002","90.029","0.003","113.801","0.006","538.2","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H26 Co O14 -","- C16 H26 Co O14 -","- C16 H26 Co O14 -","1","0.5","XU2165","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","Hexaaquacobalt(II) bis(4-formylbenzoate) dihydrate","Acta Crystallographica Section E","2006","62","12","m3423","m3424","10.1107/S1600536806048094","","","0.71073","MoKα","","0.032","0.029","","","0.075","0.08","","","","","","1","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211686","9.299","0.001","13.333","0.001","8.078","0.001","90","","92.196","0.001","90","","1000.8","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cu N4 O6 -","- C20 H18 Cu N4 O6 -","- C40 H36 Cu2 N8 O12 -","2","0.5","XU2166","Liu, Ji-Wei; Zhu, Bin; Ng, Seik Weng","Bis(3-hydroxybenzoato-<i>{κ</i>O})bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)","Acta Crystallographica Section E","2006","62","12","m3514","m3515","10.1107/S1600536806047878","","","0.71073","MoKα","","0.052","0.041","","","0.123","0.132","","","","","","1.09","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211687","10.634","0.002","23.577","0.004","12.614","0.002","90","","111.222","0.003","90","","2948.1","0.9","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3',6'-Bis(diethylamino)-2-(quinolin-8-yl)spiro[1H-isoindoline-1,9'- xanthen]-3(2H)-one","","- C37 H36 N4 O2 -","- C37 H36 N4 O2 -","- C148 H144 N16 O8 -","4","1","XU2169","Shang, Gui-Qin; Gao, Yu-Xing; Gao, Xia; Yu, Zhi-Hui; Zheng, Hong","3',6'-Bis(diethylamino)-2-(quinolin-8-yl)spiro[1<i>H</i>-isoindoline-1,9'-xanthen]-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5937","o5938","10.1107/S1600536806049865","","","0.71073","MoKα","","0.059","0.048","","","0.131","0.139","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211688","13.819","0.002","9.757","0.002","28.098","0.002","90","","90","","90","","3788.5","1","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","Poly-[[(2-phenyl-1H-1,3,7,8,-tetraazacyclopenta[l]phenanthrene)zinc(II)]- μ~3~-succinato]","","- C23 H16 N4 O4 Zn -","- C23 H16 N4 O4 Zn -","- C184 H128 N32 O32 Zn8 -","8","1","XU2171","Che, Guang-Bo; Sun, Jun; Ng, Seik Weng","Poly[[(2-phenyl-1<i>H</i>-1,3,7,8,-tetraazacyclopenta[<i>l</i>]phenanthrene)zinc(II)]-μ~3~-succinato]","Acta Crystallographica Section E","2006","62","12","m3489","m3490","10.1107/S1600536806049452","","","0.71073","MoKα","","0.103","0.055","","","0.136","0.152","","","","","","0.96","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211689","8.2279","0.0015","10.555","0.002","11.701","0.003","116.092","0.015","94.213","0.016","104.475","0.015","863.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-(2-amino-1-cyano-2-oxoethyl)-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxylate","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C36 H38 N6 O8 -","2","1","YA2028","Shishkina, Svetlana V.; Shishkin, Oleg V.; Ukrainets, Igor V.; Bereznyakova, Natalya L.","Ethyl 4-(2-amino-1-cyano-2-oxoethyl)-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2006","62","12","o5386","o5387","10.1107/S1600536806045223","","","0.71073","MoKα","","0.089","0.056","","","0.147","0.164","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211690","5.8391","0.0013","15.145","0.004","9.807","0.002","90","","99.27","0.005","90","","855.9","0.3","292","2","292","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-benzylmalononitrile","","- C10 H8 N2 -","- C10 H8 N2 -","- C40 H32 N8 -","4","1","YA2029","Yan-Ping Luo; Hong-Bin Zhou","2-Benzylmalononitrile","Acta Crystallographica Section E","2006","62","12","o5369","o5370","10.1107/S1600536806045235","","","0.71073","MoKα","","0.102","0.055","","","0.138","0.174","","","","","","0.94","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211691","8.9848","0.0015","23.456","0.004","12.364","0.002","90","","108.804","0.003","90","","2466.6","0.7","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Maleopimaric acid trimethyl ester","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","2","YM2017","Ying-Ming Pan; Lin Yang; Heng-Shan Wang; Zhi-Cai Zhao; Yong Zhang","Maleopimaric acid trimethyl ester","Acta Crystallographica Section E","2006","62","12","o5701","o5703","10.1107/S1600536806048756","","","0.7107","MoKα","","0.038","0.036","","","0.085","0.086","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211692","16.7528","0.0015","13.9287","0.0017","15.661","0.002","90","","95.314","0.004","90","","3638.7","0.7","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2-(Diphenylphosphinoylmethyl)pyridinium tetrafluoroborate","","- C18 H17 B F4 N O P -","- C18 H17 B F4 N O P -","- C144 H136 B8 F32 N8 O8 P8 -","8","1","YM2033","Klausmeyer, Kevin K.; Hung, Fernando","2-(Diphenylphosphinoylmethyl)pyridinium tetrafluoroborate","Acta Crystallographica Section E","2006","62","12","o5560","o5562","10.1107/S1600536806047179","","","0.71073","MoKα","","0.06","0.049","","","0.129","0.138","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211693","15.3047","0.0005","7.4568","0.0002","19.5403","0.0005","90","","92.152","0.002","90","","2228.45","0.11","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3-Dimethyl-5-(thiazol-2-yldiazenyl)pyrimidine-2,4,6(1H,3H,5H)-trione","","- C9 H9 N5 O3 S -","- C9 H9 N5 O3 S -","- C72 H72 N40 O24 S8 -","8","1","YM2042","Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Çelik, Mehmet Emin; Ertan, Nermin","1,3-Dimethyl-5-(thiazol-2-yldiazenyl)pyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","Acta Crystallographica Section E","2006","62","12","o5855","o5857","10.1107/S1600536806049816","","","0.71073","MoKα","","0.0773","0.0577","","","0.1655","0.1869","","","","","","1.171","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2300111","3.875218","0.000008","3.875218","","37.20846","0.00011","90","","90","","120","","483.91","0.0017","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- In2 Mn0.4 S4 Zn0.6 -","- In2 Mn0.4 S4 Zn0.6 -","- In6 Mn1.2 S12 Zn1.8 -","3","0.166667","","Ávila-Godoy, Rosario; Mora, Asiloé J.; Acosta-Najarro, Dwight R.; Delgado, Gerzon E.; López-Rivera, Santos A.; Fitch, Andrew N.; Mora, Andrés E.; Steeds, John W.","Structure of the quaternary alloy Zn~0.6~Mn~0.4~In~2~S~4~ from synchrotron powder diffraction and electron transmission microscopy","Journal of Applied Crystallography","2006","39","1","1","5","10.1107/S0021889805032656","","","0.499229","","","","","","","","","","","3.33","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2300112","3.2494","0.0002","3.2494","0.0002","5.2054","0.0002","90","","90","","120","","47.598","0.005","293","2","293","2","","","","","","","","2","P 63 m c","P 6c -2c","186","zinc_oxide","","","- O Zn -","- O Zn -","- O2 Zn2 -","2","0.166667","KO5022","Sowa, Heidrun; Ahsbahs, Hans","High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape","Journal of Applied Crystallography","2006","39","2","169","175","10.1107/S0021889805042457","","","0.71073","MoKα","","0.0149","0.0149","","0.0369","0.0369","","","","1.446","1.446","1.446","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300113","3.2342","0.0002","3.2342","0.0002","5.1772","0.0003","90","","90","","120","","46.899","0.005","293","2","293","2","","","","","","","","2","P 63 m c","P 6c -2c","186","zinc_oxide","","","- O Zn -","- O Zn -","- O2 Zn2 -","2","0.166667","KO5022","Sowa, Heidrun; Ahsbahs, Hans","High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape","Journal of Applied Crystallography","2006","39","2","169","175","10.1107/S0021889805042457","","","0.71073","MoKα","","0.0163","0.0163","","0.0404","0.0404","","","","1.364","1.364","1.364","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300114","3.219","0.0003","3.219","0.0003","5.1489","0.0003","90","","90","","120","","46.205","0.007","293","2","293","2","","","","","","","","2","P 63 m c","P 6c -2c","186","zinc_oxide","","","- O Zn -","- O Zn -","- O2 Zn2 -","2","0.166667","KO5022","Sowa, Heidrun; Ahsbahs, Hans","High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape","Journal of Applied Crystallography","2006","39","2","169","175","10.1107/S0021889805042457","","","0.71073","MoKα","","0.0179","0.0179","","0.0436","0.0436","","","","1.382","1.382","1.382","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300115","3.2049","0.0003","3.2049","0.0003","5.1216","0.0004","90","","90","","120","","45.558","0.007","293","2","293","2","","","","","","","","2","P 63 m c","P 6c -2c","186","zinc_oxide","","","- O Zn -","- O Zn -","- O2 Zn2 -","2","0.166667","KO5022","Sowa, Heidrun; Ahsbahs, Hans","High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape","Journal of Applied Crystallography","2006","39","2","169","175","10.1107/S0021889805042457","","","0.71073","MoKα","","0.0221","0.0221","","0.0512","0.0512","","","","1.289","1.289","1.289","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300116","3.195","0.0003","3.195","0.0003","5.1027","0.0004","90","","90","","120","","45.11","0.007","293","2","293","2","","","","","","","","2","P 63 m c","P 6c -2c","186","zinc_oxide","","","- O Zn -","- O Zn -","- O2 Zn2 -","2","0.166667","KO5022","Sowa, Heidrun; Ahsbahs, Hans","High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape","Journal of Applied Crystallography","2006","39","2","169","175","10.1107/S0021889805042457","","","0.71073","MoKα","","0.014","0.014","","0.0325","0.0325","","","","1.194","1.194","1.194","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300117","10.576","0.007","10.214","0.007","7.487","0.002","90","","130.68","0.04","90","","613.3","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K Lu O8 W2 -","- K Lu O8 W2 -","- K4 Lu4 O32 W8 -","4","0.5","KS5080","Pujol, M. C.; Mateos, X.; Aznar, A.; Solans, X.; Suriñach, S.; Massons, J.; Díaz, F.; Aguiló, M.","Structural redetermination, thermal expansion and refractive indices of KLu(WO~4~)~2~","Journal of Applied Crystallography","2006","39","2","230","236","10.1107/S0021889806004328","","","0.71073","MoKα","","0.047","0.0356","","","0.0824","0.0828","","","","","","1.209","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300118","23.14422","0.00016","23.14422","0.00016","7.22333","0.00005","90","","90","","120","","3350.84","0.04","","","295","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Chlorartinite","Magnesium chloride aqua carbonete hydrate","","- C H5 Cl Mg2 O6 -","- C Cl Mg2 O7 -","- C18 Cl18 Mg36 O126 -","18","1","DB5003","Sugimoto, Kunihisa; Dinnebier, Robert E.; Schlecht, Thomas","Chlorartinite, a volcanic exhalation product also found in industrial magnesia screed","Journal of Applied Crystallography","2006","39","5","739","744","10.1107/S0021889806032109","","","0.64889","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2311617","9.155","0.002","8.913","0.001","8.806","0.002","90","","111.35","0.02","90","","669.2","0.2","294","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H15 N3 O10 P2 -","- C6 H15 N3 O10 P2 -","- C12 H30 N6 O20 P4 -","2","1","SH5044","Mata, Ignasi; Espinosa, Enrique; Molins, Elies; Veintemillas, Sabino; Maniukiewicz, Waldemar; Lecomte, Claude; Cousson, Alain; Paulus, Werner","Contributions to the application of the transferability principle and the multipolar modeling of H atoms: electron-density study of L-histidinium dihydrogen orthophosphate orthophosphoric acid. I.","Acta crystallographica. Section A, Foundations of crystallography","2006","62","Pt 5","365","378","10.1107/S0108767306025141","","","0.71073","MoKα","","","0.023","","","","0.063","","","","","","0.75","","","","has coordinates","246034","2020-10-21","18:00:00",""
"2311618","9.084","0.003","8.913","0.001","8.786","0.002","90","","111.03","0.02","90","","664","0.3","120","5","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H15 N3 O10 P2 -","- C6 H15 N3 O10 P2 -","- C12 H30 N6 O20 P4 -","2","1","SH5044","Mata, Ignasi; Espinosa, Enrique; Molins, Elies; Veintemillas, Sabino; Maniukiewicz, Waldemar; Lecomte, Claude; Cousson, Alain; Paulus, Werner","Contributions to the application of the transferability principle and the multipolar modeling of H atoms: electron-density study of L-histidinium dihydrogen orthophosphate orthophosphoric acid. I.","Acta crystallographica. Section A, Foundations of crystallography","2006","62","Pt 5","365","378","10.1107/S0108767306025141","","","0.71073","MoKα","","","0.018","","","","0.032","","","","","","0.86","","","","has coordinates","246034","2020-10-21","18:00:00",""
"2311619","9.15","0.01","8.91","0.01","8.81","0.01","90","","111.4","0.5","90","","669","3","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H15 N3 O10 P2 -","- C6 H15 N3 O10 P2 -","- C12 H30 N6 O20 P4 -","2","1","SH5044","Mata, Ignasi; Espinosa, Enrique; Molins, Elies; Veintemillas, Sabino; Maniukiewicz, Waldemar; Lecomte, Claude; Cousson, Alain; Paulus, Werner","Contributions to the application of the transferability principle and the multipolar modeling of H atoms: electron-density study of L-histidinium dihydrogen orthophosphate orthophosphoric acid. I.","Acta crystallographica. Section A, Foundations of crystallography","2006","62","Pt 5","365","378","10.1107/S0108767306025141","","","0.8308","neutrons","","","0.028","","","","0.058","","","","","","1.061","","","","has coordinates","246034","2020-10-21","18:00:00",""
"2311620","9.037","0.006","8.906","0.005","8.759","0.005","90","","110.93","0.09","90","","658.4","0.8","120","5","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H15 N3 O10 P2 -","- C6 H15 N3 O10 P2 -","- C12 H30 N6 O20 P4 -","2","1","SH5044","Mata, Ignasi; Espinosa, Enrique; Molins, Elies; Veintemillas, Sabino; Maniukiewicz, Waldemar; Lecomte, Claude; Cousson, Alain; Paulus, Werner","Contributions to the application of the transferability principle and the multipolar modeling of H atoms: electron-density study of L-histidinium dihydrogen orthophosphate orthophosphoric acid. I.","Acta crystallographica. Section A, Foundations of crystallography","2006","62","Pt 5","365","378","10.1107/S0108767306025141","","","0.8308","neutrons","","","0.035","","","","0.076","","","","","","1.813","","","","has coordinates","246034","2020-10-21","18:00:00",""
"4000670","19.112","0.0014","10.2646","0.0008","12.602","0.0012","90","","90","","90","","2472.2","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Dy2 P4 S16 -","- Ba3 Dy2 P4 S16 -","- Ba12 Dy8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0374","0.0275","","","0.0771","0.0985","","","","","","1.217","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000671","19.078","0.003","10.2413","0.0019","12.5682","0.0017","90","","90","","90","","2455.6","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Er2 P4 S16 -","- Ba3 Er2 P4 S16 -","- Ba12 Er8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0298","0.0272","","","0.0671","0.0682","","","","","","1.142","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000672","19.127","0.003","10.2795","0.0005","12.648","0.0016","90","","90","","90","","2486.8","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Gd2 P4 S16 -","- Ba3 Gd2 P4 S16 -","- Ba12 Gd8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0573","0.0463","","","0.1547","0.1613","","","","","","1.103","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000673","19.088","0.003","10.2481","0.0013","12.565","0.002","90","","90","","90","","2457.9","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Ho2 P4 S16 -","- Ba3 Ho2 P4 S16 -","- Ba12 Ho8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0476","0.0294","","","0.0684","0.0729","","","","","","1.023","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000674","19.113","0.002","10.261","0.0011","12.616","0.002","90","","90","","90","","2474.2","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 P4 S16 Tb2 -","- Ba3 P4 S16 Tb2 -","- Ba12 P16 S64 Tb8 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0884","0.0474","","","0.1473","0.1621","","","","","","1.061","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000675","12.981","0.003","10.09","0.002","22.939","0.005","90","","91.3","0.03","90","","3003.7","1","293","","293","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Roswitha Zeis; Celine Besnard; Theo Siegrist; Carl Schlockermann; Xiaoliu Chi; Christian Kloc","Field Effect Studies on Rubrene and Impurities of Rubrene","Chem. Mater.","2006","18","2","244","248","10.1021/cm0502626","","","0.71073","MoKα","","0.1146","0.0684","","0.0771","0.0642","0.0642","","","","","","1.1574","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000676","10.315","0.004","12.055","0.004","12.583","0.005","92.83","0.03","84.46","0.03","116.99","0.04","1387.7","1","293","","293","","","","","","","","","2","P -1","-P 1","2","","","","- C42 H26 -","- C42 H26 -","- C84 H52 -","2","1","","Roswitha Zeis; Celine Besnard; Theo Siegrist; Carl Schlockermann; Xiaoliu Chi; Christian Kloc","Field Effect Studies on Rubrene and Impurities of Rubrene","Chem. Mater.","2006","18","2","244","248","10.1021/cm0502626","","","0.71073","MoKα","","0.2876","0.1068","","0.1806","0.1229","0.1229","","","","","","1.1536","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000677","10.192","0.002","17.764","0.004","24.437","0.005","90","","91.19","0.03","90","","4423.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N12 O19.9 Zn5 -","- C32 H20 N12 O19.896 Zn5 -","- C128 H80 N48 O79.584 Zn20 -","4","1","","Hyunsoo Park; David M. Moureau; John B. Parise","Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks","Chem. Mater.","2006","18","2","525","531","10.1021/cm051829l","","x-ray","0.71073","MoKα","","0.0754","0.0496","","","0.1309","0.1562","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000678","7.797","0.0016","10.047","0.002","13.577","0.003","110.18","0.03","105.46","0.03","93.9","0.03","947","0.3","103","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N9 O6 Zn2 -","- C14 H11 N9 O6 Zn2 -","- C28 H22 N18 O12 Zn4 -","2","1","","Hyunsoo Park; David M. Moureau; John B. Parise","Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks","Chem. Mater.","2006","18","2","525","531","10.1021/cm051829l","","x-ray","0.48595","synchrotron","","0.0361","0.0345","","","0.0926","0.0934","","","","","","1.146","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000679","13.475","0.003","26.949","0.005","13.509","0.003","90","","95.18","0.03","90","","4885.7","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N12 O24 Zn4 -","- C24 H16 N12 O24 Zn4 -","- C96 H64 N48 O96 Zn16 -","4","1","","Hyunsoo Park; David M. Moureau; John B. Parise","Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks","Chem. Mater.","2006","18","2","525","531","10.1021/cm051829l","","x-ray","0.48595","synchrotron","","0.0633","0.0575","","","0.1483","0.1524","","","","","","1.036","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000680","4.0829","0.0006","4.0829","0.0006","17.595","0.004","90","","90","","120","","254.02","0.07","90","2","90","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Eu In2 P2 -","- Eu In2 P2 -","- Eu2 In4 P4 -","2","0.0833333","","Jiong Jiang; Susan M. Kauzlarich","Colossal Magnetoresistance in a Rare Earth Zintl Compound with a New Structure Type: EuIn2P2","Chem. Mater.","2006","18","2","435","441","10.1021/cm0520362","","","0.71073","MoKα","","0.0176","0.0176","","","0.0345","0.0345","","","","","","1.589","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4000681","7.3474","0.0002","28.7742","0.0009","15.6631","0.0004","90","","90","","90","","3311.42","0.16","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","2,7-Bis(3,4,5-trimethoxyphenylethenyl)-9,9-diethylfluorene","","","- C39 H42 O6 -","- C39.1 H32 O6 -","- C156.4 H128 O24 -","4","0.5","","Hemali P. Rathnayake; Ali Cirpan; Paul M. Lahti; Frank E. Karasz","Optimizing LED Properties of 2,7-Bis(phenylethenyl)fluorenes","Chem. Mater.","2006","18","2","560","566","10.1021/cm052144o","","","0.71073","MoKα","","0.1025","0.0713","","","0.1595","0.1754","","","","","","1.094","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000682","32.603","0.007","10.617","0.002","10.718","0.002","90","","108.26","0.03","90","","3523.2","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B H11 Mn4.5 N2 O21 P5 -","- B H7 Mn4.5 N2 O21 P5 -","- B8 H56 Mn36 N16 O168 P40 -","8","1","","Miao Yang; Jihong Yu; Lei Shi; Peng Chen; Guanghua Li; Yan Chen; Ruren Xu; Song Gao","Synthesis, Structure, and Magnetic Property of a New Open-Framework Manganese Borophosphate, [NH4]4[Mn9B2(OH)2(HPO4)4(PO4)6]","Chem. Mater.","2006","18","2","476","481","10.1021/cm052170m","","","0.71073","MoKα","","0.0374","0.0313","","","0.0801","0.0835","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000684","15.8524","0.0003","10.4636","0.0002","15.8729","0.0003","90","","105.021","0.0009","90","","2542.93","0.08","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N5 Na O4 S2 -","- C22 H28 N5 Na O4 S2 -","- C88 H112 N20 Na4 O16 S8 -","4","1","","Olivier LeBel; Marie-Eve Perron; Thierry Maris; Sylvia F. Zalzal; Antonio Nanci; James D. Wuest","A New Class of Selective Low-Molecular-Weight Gelators Based on Salts of Diaminotriazinecarboxylic Acids","Chem. Mater.","2006","16","","3616","3626","10.1021/cm049234y","","","1.54178","CuKα","","0.0636","0.0401","","","0.0996","0.1089","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001474","12.2392","0.0004","12.2392","0.0004","12.4357","0.0009","90","","90","","120","","1613.27","0.14","293","2","293","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Sb5 Zn5.92 -","- Sb5 Zn5.916 -","- Sb30 Zn35.496 -","6","0.166667","","Mozharivskyj, Yurij; Janssen, Yuri; Harringa, Joel L.; Kracher, Alfred; Tsokol, Alexandra O.; Miller, Gordon J.","Zn13Sb10: A Structural and Landau Theoretical Analysis of Its Phase Transitions","Chemistry of Materials","2006","18","3","822","","10.1021/cm0515505","","","0.71073","MoKα","","0.0238","0.0228","","","0.0543","0.0548","","","","","","1.122","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001475","10.8779","0.0015","12.2252","0.0017","8.1847","0.0011","90","","100.044","0.002","90","","1071.8","0.3","238","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Sb5 Zn6.03 -","- Sb5 Zn6.02 -","- Sb20 Zn24.08 -","4","0.5","","Mozharivskyj, Yurij; Janssen, Yuri; Harringa, Joel L.; Kracher, Alfred; Tsokol, Alexandra O.; Miller, Gordon J.","Zn13Sb10: A Structural and Landau Theoretical Analysis of Its Phase Transitions","Chemistry of Materials","2006","18","3","822","","10.1021/cm0515505","","","0.71073","MoKα","","0.0334","0.026","","","0.0621","0.0662","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001476","9.5354","","9.5354","","15.7676","","90","","90","","120","","1241.58","","293","","293","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate","","- B H6 O10 P2 Sc -","- B O10 P2 Sc -","- B6 O60 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","powder diffraction","","1.54059","CuKα1","","0.0377","0.0366","","","0.0304","0.0305","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001477","9.5752","0.0003","9.5752","0.0003","15.8145","0.0006","90","","90","","120","","1255.69","0.07","293","2","295.15","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate monohydrate","","- B H6 O11 P2 Sc -","- B H4 O11 P2 Sc -","- B6 H24 O66 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","","","0.7107","MoKα","","","0.033","","","","0.08","","","","","","1.275","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001478","9.5739","","9.5739","","15.8069","","90","","90","","120","","1254.74","","293","","293","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate monohydrate","","- B H6 O11 P2 Sc -","- B O11 P2 Sc -","- B6 O66 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","powder diffraction","","1.54059","CuKα1","","0.0348","0.0344","","","0.0343","0.0343","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001479","13.099","0.003","14.454","0.003","16.987","0.004","90","","97.546","0.004","90","","3188.3","1.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","04088bbb","N-ethyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide [Phase IV]","","- C9 H16 F6 N2 O4 S2 -","- C9 H16 F6 N2 O4 S2 -","- C72 H128 F48 N16 O32 S16 -","8","2","","Henderson, Wesley A.; Young, Jr., Victor G.; Passerini, Stefano; Trulove, Paul C.; De Long, Hugh C.","Plastic Phase Transitions inN-Ethyl-N-methylpyrrolidinium Bis(trifluoromethanesulfonyl)imide","Chemistry of Materials","2006","18","4","934","938","10.1021/cm051936f","","","0.71073","MoKα","","0.0718","0.0587","","","0.1549","0.1613","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001480","8.5425","0.0014","9.6978","0.0016","11.2219","0.0018","88.487","0.003","73.119","0.003","68.294","0.003","823.1","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","04086bb","N-ethyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide [Phase III]","","- C9 H16 F6 N2 O4 S2 -","- C9 H16 F6 N2 O4 S2 -","- C18 H32 F12 N4 O8 S4 -","2","1","","Henderson, Wesley A.; Young, Jr., Victor G.; Passerini, Stefano; Trulove, Paul C.; De Long, Hugh C.","Plastic Phase Transitions inN-Ethyl-N-methylpyrrolidinium Bis(trifluoromethanesulfonyl)imide","Chemistry of Materials","2006","18","4","934","938","10.1021/cm051936f","","","0.71073","MoKα","","0.1166","0.0864","","","0.2658","0.2931","","","","","","1.097","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001481","9.05294","0.00006","9.05294","","9.05294","","90","","90","","90","","741.94","0.005","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Co In0.05 Sb3 -","- Co In0.05 Sb3 -","- Co8 In0.4 Sb24 -","8","0.166667","","He, Tao; Chen, Jiazhong; Rosenfeld, H. David; Subramanian, M. A.","Thermoelectric Properties of Indium-Filled Skutterudites","Chemistry of Materials","2006","18","3","759","","10.1021/cm052055b","powder diffraction","x-ray","0.351164","","","","","","","","","0.05684","","1.04","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001482","8.6232","0.0004","9.2261","0.0004","28.4554","0.0013","90","","95.988","0.001","90","","2251.52","0.18","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","11-(1-pyrenemethoxy)-undecanebromide","","- C28 H33 Br O -","- C28 H33 Br O -","- C112 H132 Br4 O4 -","4","1","","Ma, Dongling; Guan, Jingwen; Dénommée, Stéphane; Enright, Gary; Veres, Teodor; Simard, Benoit","Multifunctional Nano-Architecture for Biomedical Applications","Chemistry of Materials","2006","18","7","1920","","10.1021/cm052067x","","","0.71073","MoKα","","0.0678","0.0421","","","0.1013","0.1092","","","","","","0.968","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001483","18.859","0.009","6.915","0.003","11.256","0.006","90","","90.54","0.02","90","","1467.8","1.2","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H19.5 Al N2 O9.25 P2 -","- C6 H14 Al N2 O9.27 P2 -","- C24 H56 Al4 N8 O37.08 P8 -","4","0.5","","Serre, Christian; Groves, John A.; Lightfoot, Philip; Slawin, Alexandra M. Z.; Wright, Paul A.; Stock, Norbert; Bein, Thomas; Haouas, Mohamed; Taulelle, Francis; Férey, Gérard","Synthesis, Structure and Properties of Related MicroporousN,N‘-Piperazinebismethylenephosphonates of Aluminum and Titanium","Chemistry of Materials","2006","18","6","1451","","10.1021/cm052149l","","","1.54178","CuKα","","0.1651","0.1387","","","0.3233","0.3393","","","","","","1.208","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001484","9.8645","0.0006","10.3255","0.0008","13.7712","0.0008","87.905","0.005","75.981","0.005","80.712","0.002","1343.05","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0722","0.0438","","","0.0921","0.1054","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001485","9.9829","0.0005","10.4011","0.0005","13.7363","0.0008","88.374","0.002","75.559","0.002","80.95","0.002","1363.94","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0816","0.0472","","","0.1068","0.1272","","","","","","1.049","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001486","9.8769","0.0003","10.3545","0.0003","13.7442","0.0004","87.8389","0.0012","76.1174","0.0013","80.4897","0.0012","1345.81","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0525","0.0384","","","0.0959","0.1071","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001487","10.676","0.0005","11.3","0.0006","11.393","0.0009","101.256","0.002","96.755","0.002","97.342","0.005","1322.51","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.118","0.0489","","","0.1073","0.1571","","","","","","0.998","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001488","10.7248","0.0002","11.3782","0.0003","11.4166","0.0003","100.975","0.001","96.905","0.001","98.813","0.002","1335.41","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0705","0.0441","","","0.1088","0.1244","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001489","10.673","0.0003","11.333","0.0003","11.401","0.0004","101.22","0.001","96.719","0.001","97.577","0.001","1326.35","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0878","0.0514","","","0.1308","0.153","","","","","","1.034","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001490","10.719","0.0003","11.41","0.0003","11.433","0.0003","100.894","0.001","97.014","0.001","99.116","0.001","1338.98","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Ga I4 N6 S12 Se4 -","- C38 H22 Ga I4 N6 S12 Se4 -","- C38 H22 Ga I4 N6 S12 Se4 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0684","0.0522","","","0.1448","0.1579","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001491","9.585","0.0019","3.991","0.0008","12.443","0.003","90","","90","","90","","475.99","0.18","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd Cl S2 Sb -","- Cd Cl S2 Sb -","- Cd4 Cl4 S8 Sb4 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0246","0.0201","","","0.042","0.0431","","","","","","1.135","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001492","12.938","0.003","3.931","0.0008","9.661","0.0019","90","","91.11","0.03","90","","491.26","0.18","293.15","","293.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Br Cd S2 Sb -","- Br Cd S2 Sb -","- Br4 Cd4 S8 Sb4 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0287","0.0254","","","0.0538","0.0551","","","","","","1.153","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001493","9.541","0.002","3.97","0.0008","12.545","0.003","90","","90","","90","","475.18","0.18","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","Cadimum Bismuth Sulfochloride","","","- Bi Cd Cl S2 -","- Bi Cd Cl S2 -","- Bi4 Cd4 Cl4 S8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0263","0.0259","","","0.0603","0.0604","","","","","","1.113","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001494","12.977","0.003","4.012","0.0008","9.584","0.0019","90","","91.07","0.03","90","","498.89","0.18","293.15","","293.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi Br Cd S2 -","- Bi Br Cd S2 -","- Bi4 Br4 Cd4 S8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.048","0.0416","","","0.0967","0.0989","","","","","","1.196","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001495","10.025","0.002","4.119","0.0008","13.143","0.003","90","","90","","90","","542.7","0.2","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Br Cd Se2 -","- Bi Br Cd Se2 -","- Bi4 Br4 Cd4 Se8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0291","0.0258","","","0.0576","0.0588","","","","","","1.012","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001496","13.659","0.003","4.192","0.0008","10.193","0.002","90","","90.88","0.03","90","","583.6","0.2","293.15","","293.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi Cd I Se2 -","- Bi Cd I Se2 -","- Bi4 Cd4 I4 Se8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.027","0.0251","","","0.0602","0.061","","","","","","1.125","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001497","8.7115","0.0009","14.345","0.0015","15.2657","0.0016","90","","90.105","0.002","90","","1907.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- La7.13 S24 Sb8.87 -","- La7.134 S24 Sb8.866 -","- La14.268 S48 Sb17.732 -","2","0.5","","Assoud, Abdeljalil; Kleinke, Katja M.; Kleinke, Holger","Synthesis, Structure, and Electronic Structure of the Ternary Sulfide La7Sb9S24","Chemistry of Materials","2006","18","4","1041","","10.1021/cm052254v","","","0.71073","MoKα","","0.0551","0.0432","","","0.0837","0.0888","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001498","8.6829","0.0004","14.3334","0.0007","15.2691","0.0008","90","","90.077","0.001","90","","1900.32","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- La6.7 S24 Sb9.3 -","- La6.704 S24 Sb9.296 -","- La13.408 S48 Sb18.592 -","2","0.5","","Assoud, Abdeljalil; Kleinke, Katja M.; Kleinke, Holger","Synthesis, Structure, and Electronic Structure of the Ternary Sulfide La7Sb9S24","Chemistry of Materials","2006","18","4","1041","","10.1021/cm052254v","","","0.71073","MoKα","","0.0337","0.0286","","","0.0631","0.0655","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001499","7.8762","0.0011","7.8762","0.0011","7.1237","0.0014","90","","90","","120","","382.71","0.11","291","2","291","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al4 H6 O18 P6 -","- Al4 H6 O18 P6 -","- Al4 H6 O18 P6 -","1","0.0833333","","Li, Niu; Ma, Yanfeng; Xiang, Shouhe; Guan, Naijia","Capturing an Aluminophosphite Intermediate in the New Route of Synthesizing Zeolite-like Aluminophosphates","Chemistry of Materials","2006","18","4","975","","10.1021/cm052327a","","","0.71073","MoKα","","0.0504","0.0444","","","0.1159","0.1207","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001500","10.608","0.002","11.462","0.002","9.1332","0.0018","90","","112.36","0.03","90","","1027","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ammonium tricyanomelaminate","Diammonium hydrogen tricyanomelaminate","","- C6 H9 N11 -","- C6 H9 N11 -","- C24 H36 N44 -","4","1","","Lotsch, Bettina V.; Schnick, Wolfgang","From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials","Chemistry of Materials","2006","18","7","1891","","10.1021/cm052342f","","","0.71073","MoKα","","0.0471","0.0295","","","0.068","0.0721","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001501","7.6212","0.0015","13.336","0.003","18.566","0.004","90","","90","","90","","1887","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Guanidinium tricyanomelaminate hydrate","Triguanidinium tricyanomelaminate dihydrate","","- C9 H22 N18 O2 -","- C9 H22 N18 O2 -","- C36 H88 N72 O8 -","4","1","","Lotsch, Bettina V.; Schnick, Wolfgang","From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials","Chemistry of Materials","2006","18","7","1891","","10.1021/cm052342f","","","0.71073","MoKα","","0.0277","0.0253","","","0.0652","0.0666","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001502","10.295","0.002","11.203","0.002","11.207","0.002","104.22","0.03","112.74","0.03","104.62","0.03","1064.8","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Melaminium tricyanomelaminate hydrate","Dimelaminium hydrogen tricyanomelaminate hydrate","","- C12 H19.8 N21 O2.4 -","- C12 H19.798 N21 O2.399 -","- C24 H39.596 N42 O4.798 -","2","1","","Lotsch, Bettina V.; Schnick, Wolfgang","From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials","Chemistry of Materials","2006","18","7","1891","","10.1021/cm052342f","","","0.71073","MoKα","","0.1015","0.057","","","0.123","0.1458","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001503","18.0998","0.0012","5.703","0.0004","23.1988","0.0016","90","","104.633","0.001","90","","2317","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H K0.75 Na0.25 Np O6.5 S -","- H K0.75 Na0.25 Np O6.5 S -","- H16 K12 Na4 Np16 O104 S16 -","16","2","","Forbes, Tori Z.; Burns, Peter. C.; Soderholm, L.; Skanthakumar, S.","Crystal Structures and Magnetic Properties of NaK3(NpO2)4(SO4)4(H2O)2and NaNpO2SO4H2O: Cation−Cation Interactions in a Neptunyl Sulfate Framework","Chemistry of Materials","2006","18","6","1643","","10.1021/cm0523687","","","0.71073","MoKα","","0.0405","0.0351","","","0.0717","0.0736","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001504","18.3638","0.0013","5.6424","0.0004","23.5512","0.0017","90","","103.366","0.002","90","","2374.2","0.3","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium neptunyl sulfate hydrate","sodium neptunyl sulfate dihydrate","","- H1.6 Na0.8 Np0.8 O5.6 S0.8 -","- H1.6 Na0.8 Np0.8 O5.6 S0.8 -","- H32 Na16 Np16 O112 S16 -","20","2.5","","Forbes, Tori Z.; Burns, Peter. C.; Soderholm, L.; Skanthakumar, S.","Crystal Structures and Magnetic Properties of NaK3(NpO2)4(SO4)4(H2O)2and NaNpO2SO4H2O: Cation−Cation Interactions in a Neptunyl Sulfate Framework","Chemistry of Materials","2006","18","6","1643","","10.1021/cm0523687","","","0.71073","MoKα","","0.0623","0.0363","","","0.0596","0.0667","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001505","8.8932","0.0011","9.0338","0.0011","10.6253","0.0013","72.445","0.002","75.252","0.002","74.819","0.002","771.04","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H21 F2 In3 N4 O16 P4 -","- C20 H21 F2 In3 N4 O16 P4 -","- C20 H21 F2 In3 N4 O16 P4 -","1","0.5","","Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin","Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2","Chemistry of Materials","2006","18","13","2950","","10.1021/cm052395x","","","0.71073","MoKα","","0.0255","0.0238","","","0.062","0.0633","","","","","","1.002","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001506","7.8843","0.0017","10.321","0.002","11.395","0.002","107.139","0.003","105.101","0.003","99.328","0.003","826.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H12 F2 In2 N2 O9 P2 -","- C10 H10 F2 In2 N2 O9 P2 -","- C20 H20 F4 In4 N4 O18 P4 -","2","1","","Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin","Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2","Chemistry of Materials","2006","18","13","2950","","10.1021/cm052395x","","","0.71073","MoKα","","0.0476","0.0409","","","0.0948","0.0973","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001507","7.899","0.003","10.405","0.004","11.387","0.005","108.01","0.03","104.52","0.03","99.36","0.02","831.8","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H13 F2 In2 N3 O9 P2 -","- C10 H11 F2 In2 N3 O9 P2 -","- C20 H22 F4 In4 N6 O18 P4 -","2","1","","Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin","Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2","Chemistry of Materials","2006","18","13","2950","","10.1021/cm052395x","","","0.71073","MoKα","","0.1094","0.0598","","","0.1222","0.1397","","","","","","0.907","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001508","12.4938","0.0014","12.4938","0.0014","3.9519","0.0002","90","","90","","90","","616.87","0.1","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba1.938 Bi0.375 Nb5 O15 -","- Ba1.9374 Bi0.3752 Nb5 O15 -","- Ba3.8748 Bi0.7504 Nb10 O30 -","2","0.25","","Muktha, B.; Simon, A.; Darriet, J.; Guru Row, T. N.","Crystal Chemistry of a New Solid Solution in the BaO−Bi2O3−Nb2O5System: Ba5x/2Bi(1-x)5/3Nb5O15","Chemistry of Materials","2006","18","5","1240","","10.1021/cm052422j","","","0.71069","MoKα","","0.0341","0.0341","","","0.084","0.084","","","","1.93","1.93","1.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001509","12.1819","0.0002","15.947","0.0003","11.0751","0.0002","90","","90.056","0.001","90","","2151.5","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H36 B20 -","- C7 H36 B20 -","- C28 H144 B80 -","4","1","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors","Chemistry of Materials","2006","18","5","1113","","10.1021/cm0524603","","","0.71069","MoKα","","0.0798","0.0707","","0.1464","0.1393","","","","1.131","1.133","1.133","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001510","10.906","0.002","13.048","0.002","10.811","0.002","90","","117.287","0.003","90","","1367.2","0.4","143","1","143","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H22 B10 -","- C7 H22 B10 -","- C28 H88 B40 -","4","1","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors","Chemistry of Materials","2006","18","5","1113","","10.1021/cm0524603","","","0.71069","MoKα","","0.0892","0.0763","","","0.2025","0.2171","","","","","","1.066","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4001511","10.969","0.004","21.912","0.008","10.902","0.004","90","","90","","90","","2620.3","1.7","143","1","143","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 H22 B10 -","- C6 H22 B10 -","- C48 H176 B80 -","8","2","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors","Chemistry of Materials","2006","18","5","1113","","10.1021/cm0524603","","","0.71069","MoKα","","0.16","0.129","","","0.2905","0.3198","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001512","16.0442","0.001","18.9546","0.0012","20.9652","0.0014","99.598","0.002","111.061","0.001","110.305","0.001","5261.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H154 O25 Si16 -","- C84 H154 O25 Si16 -","- C168 H308 O50 Si32 -","2","1","","Anderson, Stanley E.; Mitchell, Connie; Haddad, Timothy S.; Vij, Ashwani; Schwab, Joseph J.; Bowers, Michael T.","Structural Characterization of POSS Siloxane Dimer and Trimer","Chemistry of Materials","2006","18","6","1490","","10.1021/cm052589c","","","0.71073","MoKα","","0.0459","0.039","","","0.1059","0.1112","","","","","","1.032","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001513","12.2752","0.0013","8.253","0.0008","22.052","0.002","90","","90","","90","","2234","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2-aminoethyl)-4-nitroaniline formic acid (salt)","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C72 H104 N24 O32 -","8","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1016","0.0489","","","0.1027","0.1136","","","","","","1.014","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001514","5.608","0.003","11.314","0.005","9.573","0.005","90","","101.784","0.008","90","","594.6","0.5","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(2-aminoethyl)-4-nitroaniline acetic acid (salt)","","- C10 H15 N3 O4 -","- C10 H15 N3 O4 -","- C20 H30 N6 O8 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1355","0.0542","","","0.0813","0.0997","","","","","","0.985","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001515","10.3601","0.0008","12.1853","0.0009","10.5378","0.0008","90","","101.082","0.002","90","","1305.5","0.17","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","N-(2-aminoethyl)-4-nitroaniline - propionic acid (salt)","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","2","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.0718","0.0506","","","0.1065","0.1108","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001516","4.8677","0.0005","12.5586","0.0013","11.3875","0.0012","90","","99.521","0.002","90","","686.55","0.12","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(2-aminoethyl)-4-nitroaniline butyric acid (salt)","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C24 H38 N6 O8 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1562","0.0596","","","0.1251","0.1519","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001517","9.0906","","9.0906","","9.0906","","90","","90","","90","","751.238","","","","293","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Pd2.352 Zn10.648 -","- Pd2.351 Zn10.649 -","- Pd9.404 Zn42.596 -","4","0.0833333","","Gourdon, Olivier; Miller, Gordon J.","Intergrowth Compounds in the Zn-Rich Zn−Pd System: Toward 1D Quasicrystal Approximants","Chemistry of Materials","2006","18","7","1848","","10.1021/cm0526415","","","0.71069","MoKα","","0.013","0.013","","","0.0268","0.0268","","","","1.33","1.33","1.33","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001518","12.929","","9.112","","33.32","","90","","90","","90","","3925.4","","","","293","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Pd16.68 Zn52.32 -","- Pd16.68 Zn52.32 -","- Pd66.72 Zn209.28 -","4","","","Gourdon, Olivier; Miller, Gordon J.","Intergrowth Compounds in the Zn-Rich Zn−Pd System: Toward 1D Quasicrystal Approximants","Chemistry of Materials","2006","18","7","1848","","10.1021/cm0526415","","","0.71069","MoKα","","0.0758","0.0288","","","0.0385","0.0442","","","","1.85","1.85","1.46","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001519","16.3528","0.0019","8.9386","0.001","48.989","0.006","90","","98.216","0.002","90","","7087.3","1.4","293","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H102 P4 Pt2 -","- C69 H102 P4 Pt2 -","- C276 H408 P16 Pt8 -","4","1","","Liu, Li; Wong, Wai-Yeung; Poon, Suk-Yue; Shi, Jian-Xin; Cheah, Kok-Wai; Lin, Zhenyang","Effect of Acetylenic Chain Length on the Tuning of Functional Properties in Fluorene-Bridged Polymetallaynes and Their Molecular Model Compounds","Chemistry of Materials","2006","18","5","1369","","10.1021/cm052655a","","","0.71073","MoKα","","0.1509","0.0708","","","0.1467","0.1817","","","","","","0.954","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001520","12.2213","0.0002","18.1079","0.0002","20.3613","0.0002","90","","102.263","0.003","90","","4403.18","0.11","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis((μ2-diethylphosphato-O,O')-di-t-butyl-aluminium)","","- C40 H56 Al2 O8 P2 -","- C40 H56 Al2 O8 P2 -","- C160 H224 Al8 O32 P8 -","4","1","","Florjańczyk, Zbigniew; Lasota, Anna; Wolak, Andrzej; Zachara, Janusz","Organically Modified Aluminum Phosphates: Synthesis and Characterization of Model Compounds Containing Diphenyl Phosphate Ligands","Chemistry of Materials","2006","18","7","1995","","10.1021/cm0526718","","","0.71073","MoKα","","0.06","0.0454","","","0.1038","0.1092","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4001521","15.1307","0.0003","8.423","0.0002","16.6322","0.0004","90","","100.42","0.001","90","","2084.75","0.08","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N3 O5.5 P Zn -","- C6 H11 N3 O5.5 P Zn -","- C48 H88 N24 O44 P8 Zn8 -","8","1","","Chen, Lan; Bu, Xianhui","Histidine-Controlled Two-Dimensional Assembly of Zinc Phosphite Four-Ring Units","Chemistry of Materials","2006","18","7","1857","","10.1021/cm052801c","","","0.71073","MoKα","","0.0413","0.0317","","","0.081","0.0851","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001522","23.7807","0.0015","23.7807","0.0015","13.4664","0.0012","90","","90","","120","","6595.3","0.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C4 H17 Ga2 N3 O10 P2 -","- C4 H13 Ga2 N3 O10 P2 -","- C72 H234 Ga36 N54 O180 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0335","0.0272","","","0.0844","0.0874","","","","","","1.015","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001523","23.74","0.0016","23.74","0.0016","13.4851","0.0013","90","","90","","120","","6581.8","0.9","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.1 Co0.1 Ga1.9 N3 O9 P2 -","- C4 H13 Co0.1 Ga1.9 N3 O9 P2 -","- C72 H234 Co1.8 Ga34.2 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0465","0.0324","","","0.1039","0.1081","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001524","23.7422","0.0007","23.7422","0.0007","13.4888","0.0006","90","","90","","120","","6584.8","0.4","295","2","295","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C4 H15.1 Co0.1 Cr0.1 Ga1.8 N3 O9 P2 -","- C4 H13 Co0.1 Cr0.1 Ga1.8 N3 O9 P2 -","- C72 H234 Co1.8 Cr1.8 Ga32.4 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0491","0.0422","","","0.116","0.1194","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001525","23.6965","0.0013","23.6965","0.0013","13.5437","0.001","90","","90","","120","","6586.2","0.7","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.2 Fe0.2 Ga1.8 N3 O9 P2 -","- C4 H12 Fe0.2 Ga1.8 N3 O9 P2 -","- C72 H216 Fe3.6 Ga32.4 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.1072","0.0432","","","0.1119","0.1235","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001526","23.6635","0.0014","23.6635","0.0014","13.5686","0.0011","90","","90","","120","","6580","0.8","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.15 Ga1.85 Mn0.15 N3 O9 P2 -","- C4 H13 Ga1.85 Mn0.15 N3 O9 P2 -","- C72 H234 Ga33.3 Mn2.7 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0703","0.0429","","","0.1207","0.1289","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001527","23.6899","0.0011","23.6899","0.0011","13.5483","0.0009","90","","90","","120","","6584.8","0.6","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.2 Ga1.8 N3 O9 P2 Zn0.2 -","- C4 H13 Ga1.8 N3 O9 P2 Zn0.2 -","- C72 H234 Ga32.4 N54 O162 P36 Zn3.6 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0628","0.0388","","","0.1112","0.118","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001528","23.716","0.003","23.716","0.003","13.447","0.002","90","","90","","120","","6550","1.5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15 Cr0.1 Ga1.9 N3 O9 P2 -","- C4 H13 Cr0.1 Ga1.9 N3 O9 P2 -","- C72 H234 Cr1.8 Ga34.2 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0601","0.0397","","","0.1276","0.1356","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001529","12.415","0.011","12.62","0.02","14.55","0.01","86.51","","84.536","0.015","87.16","","2263","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H78 P6 S32 W6 -","- C60 H78 P6 S32 W6 -","- C60 H78 P6 S32 W6 -","1","0.5","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.916","","","0.0482","0.0481","","","0.135","0.1352","","","","","","1.043","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001530","14.0512","0.001","15.1392","0.001","15.1699","0.001","61.6172","0.0013","84.3734","0.0014","84.1186","0.0016","2819.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H102 P6 S32 W6 -","- C84 H102 P6 S32 W6 -","- C84 H102 P6 S32 W6 -","1","0.5","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.71073","MoKα","","0.0528","0.0362","","","0.0773","0.0932","","","","","","1.114","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001531","23.659","0.003","23.659","0.002","16.9604","0.0018","90","0.003","90","0.003","120","0.003","8221.7","1.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H102 P6 S32 W6 -","- C83.96 H96 P6 S32 W6 -","- C251.88 H288 P18 S96 W18 -","3","0.166667","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.71073","MoKα","","0.0588","0.0388","","","0.0879","0.0969","","","","","","1.12","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001532","16.8243","0.0013","17.4251","0.0013","18.9027","0.0014","106.185","0.002","101.5","0.002","112.613","0.002","4609.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H66 O10 P6 S56 W6 -","- C124 H66 O10 P6 S56 W6 -","- C124 H66 O10 P6 S56 W6 -","1","0.5","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.71073","MoKα","","0.1585","0.0777","","","0.1922","0.2399","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001533","15.8524","0.0003","10.4636","0.0002","15.8729","0.0003","90","","105.021","0.0009","90","","2542.93","0.08","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N5 Na O4 S2 -","- C22 H28 N5 Na O4 S2 -","- C88 H112 N20 Na4 O16 S8 -","4","1","","Lebel, Olivier; Perron, Marie-Ève; Maris, Thierry; Zalzal, Sylvia F.; Nanci, Antonio; Wuest, James D.","A New Class of Selective Low-Molecular-Weight Gelators Based on Salts of Diaminotriazinecarboxylic Acids","Chemistry of Materials","2006","18","16","3616","","10.1021/cm060056d","","","1.54178","CuKα","","0.0636","0.0401","","","0.0996","0.1089","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001534","11.2","0.003","11.38","0.003","14.449","0.004","80.357","0.005","82.319","0.004","61.405","0.004","1591.1","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 O2 P2 -","- C39 H32 O2 P2 -","- C78 H64 O4 P4 -","2","1","","Padmaperuma, Asanga B.; Sapochak, Linda S.; Burrows, Paul E.","New Charge Transporting Host Material for Short Wavelength Organic Electrophosphorescence: 2,7-Bis(diphenylphosphine oxide)-9,9-dimethylfluorene","Chemistry of Materials","2006","18","9","2389","","10.1021/cm0600677","","","0.71073","MoKα","","0.0586","0.0425","","","0.1105","0.1222","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001535","10.9717","","7.5778","","5.4103","","90","","90","","90","","449.82","","150","","293","","","","","","","","","4","P n m 21","P 2bc -2bc","31","","","","- Bi0.597 Ca0.403 Mn O3 -","- Bi0.5965 Ca0.4035 Mn O3 -","- Bi4.772 Ca3.228 Mn8 O24 -","8","2","","Giot, M.; Beran, P.; Pérez, O.; Malo, S.; Hervieu, M.; Raveau, B.; Nevriva, M.; Knizek, K.; Roussel, P.","Bi1-xCaxMnO3(x= 0.4 and 0.45): X-ray Single-Crystal and Electron Microscopy Study","Chemistry of Materials","2006","18","14","3225","","10.1021/cm060222h","","","0.71069","MoKα","","0.098","0.0684","","","0.0746","0.0922","","","","4.8","4.8","4.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001536","21.408","0.0005","4.8379","0.0001","17.0953","0.0004","90","","110.196","0.001","90","","1661.7","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 S2 -","- C34 H54 S2 -","- C68 H108 S4 -","2","0.5","","Pan, Hualong; Li, Yuning; Wu, Yiliang; Liu, Ping; Ong, Beng S.; Zhu, Shiping; Xu, Gu","Synthesis and Thin-Film Transistor Performance of Poly(4,8-didodecylbenzo[1,2-b:4,5-b‘]dithiophene)","Chemistry of Materials","2006","18","14","3237","","10.1021/cm0602592","","","1.54178","CuKα","","0.0748","0.062","","","0.2028","0.2188","","","","","","1.056","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001537","10.219","0.0004","13.9566","0.0015","17.26","0.002","90","","90.193","0.005","90","","2461.7","0.4","293","","293","","","","","","","","synthesised by authors","5","P 1 21/a 1","-P 2yab","14","","","","- Cs2 Ga6 H5.1 O27.55 P6 -","- Cs2 Ga6 H2 O27.549 P6 -","- Cs8 Ga24 H8 O110.196 P24 -","4","1","","Lesage, J.; Guesdon, A.; Hervieu, M.; Raveau, B.","Unusual Mobility of Cesium via a Reversible Topotactic Dehydration Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel Structure","Chemistry of Materials","2006","18","12","2895","","10.1021/cm060275z","","","0.71069","MoKα","","0.0911","0.0419","","","0.0396","0.0443","","","","1.33","1.33","1.17","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001538","10.1662","0.0004","13.9762","0.0012","16.931","0.002","90","","90","","90","","2405.6","0.4","293","","293","","","","","","","","synthesised by authors","5","P c a b","-P 2bc 2ac","61","","","","- Cs2 Ga6 H2 O26 P6 -","- Cs2 Ga6 H2 O26 P6 -","- Cs8 Ga24 H8 O104 P24 -","4","0.5","","Lesage, J.; Guesdon, A.; Hervieu, M.; Raveau, B.","Unusual Mobility of Cesium via a Reversible Topotactic Dehydration Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel Structure","Chemistry of Materials","2006","18","12","2895","","10.1021/cm060275z","","","0.71069","MoKα","","0.0555","0.0272","","","0.0274","0.0312","","","","1.28","1.28","1.2","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001539","12.4604","0.0014","14.1435","0.0016","17.475","0.002","99.357","0.002","99.182","0.002","114.271","0.002","2680.9","0.5","173","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H16 F10 Si -","- C30 H16 F10 Si -","- C120 H64 F40 Si4 -","4","2","","Geramita, Katharine; McBee, Jennifer; Shen, Yulong; Radu, Nora; Tilley, T. Don","Synthesis and Characterization of Perfluoroaryl-Substituted Siloles and Thiophenes: A Series of Electron-Deficient Blue Light Emitting Materials","Chemistry of Materials","2006","18","14","3261","","10.1021/cm060346u","","","0.71073","MoKα","","0.0612","0.0364","","","0.081","0.0863","","","","","","0.852","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001540","7.513","0.003","7.585","0.003","28.128","0.01","92.498","0.005","92.18","0.006","116.885","0.005","1425.3","1","173","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H8 F18 S -","- C34 H8 F18 S -","- C68 H16 F36 S2 -","2","1","","Geramita, Katharine; McBee, Jennifer; Shen, Yulong; Radu, Nora; Tilley, T. Don","Synthesis and Characterization of Perfluoroaryl-Substituted Siloles and Thiophenes: A Series of Electron-Deficient Blue Light Emitting Materials","Chemistry of Materials","2006","18","14","3261","","10.1021/cm060346u","","","0.71073","MoKα","","0.1448","0.0845","","","0.2048","0.2191","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001541","8.654","0.0004","20.971","0.0009","8.85","0.0004","90","","110.397","0.002","90","","1505.42","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C14 H13 F4 N4 O2 -","- C14 H13 F4 N4 O2 -","- C56 H52 F16 N16 O8 -","4","1","","Murata, Hidenori; Delen, Zeynep; Lahti, Paul M.","Strong Ferromagnetic Exchange in 2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5- tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","Chemistry of Materials","2006","18","11","2625","","10.1021/cm060378h","","","0.71073","MoKα","","0.0863","0.0517","","","0.1613","0.1932","","","","","","1.158","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001542","11.692","0.004","18.023","0.007","11.772","0.005","90","","90.71","0.02","90","","2480.5","1.7","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C24 H56 Cu4 O8 P4 Se8 -","- C24 H56 Cu4 O8 P4 Se8 -","- C48 H112 Cu8 O16 P8 Se16 -","2","1","","Hsu, Yung-Jung; Hung, Chiu-Ming; Lin, Yi-Feng; Liaw, Ben-Jie; Lobana, Tarlok S.; Lu, Shih-Yuan; Liu, C. W.","[Cu4{Se2P(OiPr)2}4]: A Novel Precursor Enabling Preparation of Nonstoichiometric Copper Selenide (Cu2-xSe) Nanowires","Chemistry of Materials","2006","18","14","3323","","10.1021/cm060478n","","","0.71073","MoKα","","0.0859","0.0712","","","0.1462","0.1534","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001543","6.2089","0.0007","8.9509","0.0011","23.295","0.003","90","","90","","90","","1294.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0496","0.048","","","0.1393","0.1412","","","","","","1.095","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001544","5.5431","0.0011","7.4791","0.0014","16.19","0.003","82.779","0.003","88.9","0.004","71.49","0.003","631.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cl N O2 -","- C13 H18 Cl N O2 -","- C26 H36 Cl2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0555","0.0529","","","0.1522","0.163","","","","","","1.121","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001545","5.541","0.0013","7.4502","0.0018","17.662","0.004","90.182","0.005","92.714","0.004","108.56","0.004","690.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Cl N O2 -","- C14 H20 Cl N O2 -","- C28 H40 Cl2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0487","0.0418","","","0.1115","0.1278","","","","","","1.086","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001546","5.5021","0.0008","7.4745","0.0011","19.108","0.003","92.671","0.003","90.828","0.003","107.964","0.002","746.36","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Cl N O2 -","- C15 H22 Cl N O2 -","- C30 H44 Cl2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.1028","0.074","","","0.223","0.2883","","","","","","1.184","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001547","5.5328","0.0007","7.5138","0.0009","19.059","0.002","92.937","0.002","90.228","0.002","108.446","0.002","750.46","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C32 H50 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0513","0.0414","","","0.1011","0.1073","","","","","","1.023","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001548","14.342","0.002","5.776","0.0008","51.085","0.007","90","","90","","90","","4231.9","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Br N O2 -","- C20 H32 Br N O2 -","- C160 H256 Br8 N8 O16 -","8","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0881","0.0664","","","0.1693","0.1827","","","","","","1.168","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001549","26.525","0.004","14.2644","0.0019","5.7997","0.0008","90","","93.063","0.002","90","","2191.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 Br N O2 -","- C21 H34 Br N O2 -","- C84 H136 Br4 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0669","0.0422","","","0.1056","0.1187","","","","","","1.006","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001550","28.972","0.004","14.2687","0.0017","5.78","0.0007","90","","95.027","0.002","90","","2380.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 Br N O2 -","- C23 H38 Br N O2 -","- C92 H152 Br4 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0925","0.0474","","","0.1015","0.1167","","","","","","0.988","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001551","5.5628","0.0004","7.5055","0.0005","16.4604","0.0011","82.449","0.001","88.785","0.001","71.481","0.001","645.86","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C26 H36 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0237","0.0235","","","0.0637","0.0639","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001552","5.5611","0.001","7.4809","0.0013","17.889","0.003","88.908","0.003","87.831","0.003","71.593","0.003","705.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Br N O2 -","- C14 H20 Br N O2 -","- C28 H40 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0323","0.029","","","0.072","0.0761","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001553","5.5215","0.0005","7.5087","0.0006","19.083","0.0016","93.13","0.001","90.752","0.002","108.131","0.001","750.38","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Br N O2 -","- C15 H22 Br N O2 -","- C30 H44 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0265","0.0259","","","0.0747","0.0751","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001554","5.5753","0.0011","7.7318","0.0015","20.485","0.004","87.193","0.003","88.939","0.003","72.223","0.003","839.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Br N O2 -","- C16 H24 Br N O2 -","- C32 H48 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0668","0.0448","","","0.1139","0.1239","","","","","","0.974","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001555","24.134","0.007","14.298","0.004","5.8109","0.0017","90","","91.786","0.005","90","","2004.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Br N O2 -","- C19 H30 Br N O2 -","- C76 H120 Br4 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.076","0.0438","","","0.1025","0.1183","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001556","5.5484","0.0005","7.4632","0.0007","16.9022","0.0016","90.896","0.002","99.105","0.002","107.802","0.002","656.46","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C26 H36 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0426","0.042","","","0.1136","0.114","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001557","5.5108","0.0008","7.5698","0.0011","19.051","0.003","82.296","0.003","82.827","0.002","72.395","0.002","747.67","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Br N O2 -","- C15 H22 Br N O2 -","- C30 H44 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0316","0.0304","","","0.0847","0.0889","","","","","","1.134","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001558","12.7129","0.0012","19.784","0.003","22.611","0.002","103.268","0.006","97.491","0.004","102.145","0.01","5315","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48.5 H46.5 Cl1.5 F9 La N2 O10 S3 -","- C48.5 H46.5 Cl1.5 F9 La N2 O10 S3 -","- C194 H186 Cl6 F36 La4 N8 O40 S12 -","4","2","","Yang, Yuetao; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Lanthanide-Containing Metallomesogens with Low Transition Temperatures","Chemistry of Materials","2006","18","16","3698","","10.1021/cm060644r","","","1.54178","CuKα","","0.1071","0.0752","","","0.172","0.19","","","","","","0.937","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001559","15.1196","0.0011","18.5236","0.001","20.6386","0.0012","70.89","0.003","80.255","0.004","66.575","0.004","5006.5","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 F9 La N2 O10 -","- C46 H46 F9 La N2 O10 -","- C184 H184 F36 La4 N8 O40 -","4","2","","Yang, Yuetao; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Lanthanide-Containing Metallomesogens with Low Transition Temperatures","Chemistry of Materials","2006","18","16","3698","","10.1021/cm060644r","","","1.54178","CuKα","","0.0911","0.0627","","","0.1504","0.1684","","","","","","0.923","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001560","12.354","0.003","12.972","0.004","19.357","0.004","101.524","0.016","93.225","0.015","108.121","0.016","2865.3","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H53 Cl3 F9 N2 Nd O10 -","- C55 H53 Cl3 F9 N2 Nd O10 -","- C110 H106 Cl6 F18 N4 Nd2 O20 -","2","1","","Yang, Yuetao; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Lanthanide-Containing Metallomesogens with Low Transition Temperatures","Chemistry of Materials","2006","18","16","3698","","10.1021/cm060644r","","","1.54178","CuKα","","0.0932","0.0673","","","0.1601","0.1747","","","","","","0.966","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001561","7.4632","0.0015","11.523","0.002","13.944","0.003","90","","94.06","0.03","90","","1196.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","terbium dicyanamide dihydrate","terbium dicyanamide dihydrate","","- C6 H4 N9 O2 Tb -","- C6 H4 N9 O2 Tb -","- C24 H16 N36 O8 Tb4 -","4","1","","Nag, Abanti; Schmidt, Peter J.; Schnick, Wolfgang","Synthesis and Characterization of Tb[N(CN)2]3·2H2O and Eu[N(CN)2]3·2H2O: Two New Luminescent Rare-Earth Dicyanamides","Chemistry of Materials","2006","18","24","5738","","10.1021/cm0607029","","","0.71073","MoKα","","0.0334","0.0193","","","0.0376","0.0419","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001562","7.478","0.0004","11.5429","0.0005","13.9756","0.0007","90","","93.998","0.004","90","","1203.41","0.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Europium Dicyanamide Dihydrate","Europium Dicyanamide Dihydrate","","- C6 H4 Eu N9 O2 -","- C6 H4 Eu N9 O2 -","- C24 H16 Eu4 N36 O8 -","4","1","","Nag, Abanti; Schmidt, Peter J.; Schnick, Wolfgang","Synthesis and Characterization of Tb[N(CN)2]3·2H2O and Eu[N(CN)2]3·2H2O: Two New Luminescent Rare-Earth Dicyanamides","Chemistry of Materials","2006","18","24","5738","","10.1021/cm0607029","powder diffraction","x-ray","0.7093","MoKα1","","","","","","","","0.08029","","1.13","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001563","6.1661","0.0003","27.6363","0.0012","8.4503","0.0004","90","","95.712","0.001","90","","1432.85","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 Br4 N3 Pb -","- C6 H13 Br4 N3 Pb -","- C24 H52 Br16 N12 Pb4 -","4","1","","Li, Y. Y.; Lin, C. K.; Zheng, G. L.; Cheng, Z. Y.; You, H.; Wang, W. D.; Lin, J.","Novel ⟨ 110⟩ -Oriented Organic−Inorganic Perovskite Compound Stabilized byN-(3-Aminopropyl)imidazole with Improved Optical Properties","Chemistry of Materials","2006","18","15","3463","","10.1021/cm060714u","","","0.71073","MoKα","","0.0688","0.0667","","","0.1882","0.1909","","","","","","1.039","","","","has coordinates","271475","2021-12-16","11:44:06",""
"4001564","20.0844","0.0019","7.9836","0.0008","13.0105","0.0012","90","","90","","90","","2086.2","0.3","466","2","466","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H13 Br2 N3 -","- C6 H13 Br2 N3 -","- C48 H104 Br16 N24 -","8","2","","Li, Y. Y.; Lin, C. K.; Zheng, G. L.; Cheng, Z. Y.; You, H.; Wang, W. D.; Lin, J.","Novel 〈110〉-Oriented Organic−Inorganic Perovskite Compound Stabilized byN-(3-Aminopropyl)imidazole with Improved Optical Properties","Chemistry of Materials","2006","18","15","3463","","10.1021/cm060714u","","","0.71073","MoKα","","0.0399","0.0323","","","0.0724","0.074","","","","","","0.933","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001565","6.7435","0.0003","6.7555","0.0004","6.7608","0.0004","91.221","0.004","94.288","0.004","94.443","0.005","306.09","0.03","300","","300","","","","","","","","","3","P -1","-P 1","2","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg Mo6 Se8 -","- Mg Mo6 Se8 -","- Mg Mo6 Se8 -","1","0.5","","Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Isnard, O.; Djurado, D.","Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 2. The Crystal Structure of Triclinic MgMo6Se8","Chemistry of Materials","2006","18","16","3705","","10.1021/cm060715m","powder diffraction","neutron","1.9106","neutron","","","","","","","","","5.6199","0.8567","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001566","8.9807","0.0004","18.1461","0.0009","11.2254","0.0005","90","","101.851","0.001","90","","1790.35","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1038 cs Ph2-Bor-Br2Oxinat","","","- C21 H14 B Br2 N O -","- C21 H14 B Br2 N O -","- C84 H56 B4 Br8 N4 O4 -","4","1","","Kappaun, Stefan; Rentenberger, Stephan; Pogantsch, Alexander; Zojer, Egbert; Mereiter, Kurt; Trimmel, Gregor; Saf, Robert; Möller, Kai C.; Stelzer, Franz; Slugovc, Christian","Organoboron Quinolinolates with Extended Conjugated Chromophores: Synthesis, Structure, and Electronic and Electroluminescent Properties","Chemistry of Materials","2006","18","15","3539","","10.1021/cm060720q","","","0.71073","MoKα","","0.0371","0.0251","","","0.0588","0.0642","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001567","13.898","0.003","16.381","0.003","9.835","0.002","90","","110.45","0.03","90","","2098","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs10 Fe14 K8 O80 P20 -","- Cs9.296 Fe14 K8.704 O80 P20 -","- Cs9.296 Fe14 K8.704 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.0538","0.0518","","","0.1368","0.1382","","","","","","0.984","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001568","13.899","0.003","16.397","0.003","9.83","0.002","90","","110.4","0.03","90","","2099.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs11.9 Fe14 K0 Li6.1 O80 P20 -","- Cs11.894 Fe14 Li6.106 O80 P20 -","- Cs11.894 Fe14 Li6.106 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.0802","0.064","","","0.1201","0.1263","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001569","13.744","0.003","16.502","0.003","9.807","0.002","90","","109.97","0.03","90","","2090.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs0.75 Fe1.08 K0 Na0.64 O6.15 P1.54 -","- Cs0.748154 Fe1.07692 Na0.636462 O6.15385 P1.53846 -","- Cs9.726 Fe14 Na8.274 O80 P20 -","13","3.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.1331","0.1156","","","0.2121","0.22","","","","","","1.216","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001570","13.762","0.003","16.508","0.003","9.84","0.002","90","","110.29","0.03","90","","2096.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs11.26 Fe14 K6.74 O80 P20 -","- Cs11.256 Fe14 K6.744 O80 P20 -","- Cs11.256 Fe14 K6.744 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.1163","0.0911","","","0.1407","0.1496","","","","","","1.234","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001571","13.901","0.003","16.392","0.003","9.827","0.002","90","","110.49","0.03","90","","2097.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs8.5 Fe14 K5.71 O80 P20 Rb3.79 -","- Cs8.508 Fe14 K5.712 O80 P20 Rb3.78 -","- Cs8.508 Fe14 K5.712 O80 P20 Rb3.78 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.0982","0.0702","","","0.1115","0.1199","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001572","13.795","0.003","16.463","0.003","9.848","0.002","90","","110.1","0.03","90","","2100.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs11.35 Fe14 K6.65 O80 P20 -","- Cs11.348 Fe14 K6.652 O80 P20 -","- Cs11.348 Fe14 K6.652 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.1025","0.0778","","","0.1142","0.1224","","","","","","1.194","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001573","11.9343","0.0007","21.222","0.0013","11.9882","0.0007","90","","117.077","0.001","90","","2703.5","0.3","571","2","571","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba3 Cu13.43 Te12 -","- Ba3 Cu13.429 Te12 -","- Ba12 Cu53.716 Te48 -","4","1","","Assoud, Abdeljalil; Thomas, Stephanie; Sutherland, Brodie; Zhang, Huqin; Tritt, Terry M.; Kleinke, Holger","Thermoelectric Properties of the New Polytelluride Ba3Cu14-δTe12","Chemistry of Materials","2006","18","16","3866","","10.1021/cm060776k","","","0.71073","MoKα","","0.0596","0.0506","","","0.1111","0.114","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001574","11.9091","0.0018","21.174","0.004","11.9826","0.0018","90","","117.071","0.004","90","","2690.5","0.8","180","2","180","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba3 Cu13.65 Te12 -","- Ba3 Cu13.6475 Te12 -","- Ba12 Cu54.59 Te48 -","4","1","","Assoud, Abdeljalil; Thomas, Stephanie; Sutherland, Brodie; Zhang, Huqin; Tritt, Terry M.; Kleinke, Holger","Thermoelectric Properties of the New Polytelluride Ba3Cu14-δTe12","Chemistry of Materials","2006","18","16","3866","","10.1021/cm060776k","","","0.71073","MoKα","","0.0591","0.0451","","","0.0877","0.0919","","","","","","1.131","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001575","5.7668","0.0016","7.551","0.002","12.884","0.004","85.131","0.007","88.367","0.007","89.927","0.008","558.8","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H6 S4 -","- C12 H6 S4 -","- C24 H12 S8 -","2","1","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.775","MoKα","","0.0972","0.081","","","0.2328","0.2434","","","","","","1.125","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001576","7.4265","0.0011","5.7172","0.0008","14.84","0.002","90","","102.336","0.002","90","","615.54","0.15","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H8 S4 -","- C13.58 H7.58 S3.58 -","- C27.16 H15.16 S7.16 -","2","1","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.71073","MoKα","","0.0937","0.0577","","","0.1468","0.17","","","","","","0.93","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001577","23.66","0.005","5.9832","0.0012","15.709","0.003","90","","90","","90","","2223.8","0.8","123","2","123","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H6 S4 -","- C12 H6 S4 -","- C96 H48 S32 -","8","2","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.71073","MoKα","","0.0596","0.0341","","","0.0755","0.0839","","","","","","1.012","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001578","5.7083","0.0015","8.616","0.002","13.272","0.004","88.226","0.006","77.637","0.006","82.068","0.006","631.5","0.3","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 S4 -","- C14 H8 S4 -","- C28 H16 S8 -","2","1","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.71073","MoKα","","0.0773","0.0567","","","0.1436","0.1541","","","","","","1.025","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001579","6.1731","0.0005","6.1731","0.0005","6.1731","0.0005","90","","90","","90","","235.24","0.03","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag1.33 Sb1.33 Sn1.33 Te4 -","- Ag1.32 Sb1.32 Sn1.33 Te4 -","- Ag1.32 Sb1.32 Sn1.33 Te4 -","1","0.0208333","","Androulakis, John; Pcionek, Robert; Quarez, Eric; Do, Jun-Huang; Kong, Huijun; Palchik, Oleg; Uher, C.; D'Angelo, Jonathan James; Short, Jarrod; Hogan, Tim; Kanatzidis, Mercouri G.","Coexistence of Large Thermopower and Degenerate Doping in the Nanostructured Material Ag0.85SnSb1.15Te3","Chemistry of Materials","2006","18","20","4719","","10.1021/cm061151p","","","0.71073","MoKα","","0.0273","0.0135","","","0.0277","0.0382","","","","","","0.896","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001580","4.365","0.0005","4.365","0.0005","6.1731","0.0005","90","","90","","90","","117.62","0.02","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.67 Sb0.67 Sn0.67 Te2 -","- Ag0.66 Sb0.67 Sn0.67 Te2 -","- Ag0.66 Sb0.67 Sn0.67 Te2 -","1","0.0625","","Androulakis, John; Pcionek, Robert; Quarez, Eric; Do, Jun-Huang; Kong, Huijun; Palchik, Oleg; Uher, C.; D'Angelo, Jonathan James; Short, Jarrod; Hogan, Tim; Kanatzidis, Mercouri G.","Coexistence of Large Thermopower and Degenerate Doping in the Nanostructured Material Ag0.85SnSb1.15Te3","Chemistry of Materials","2006","18","20","4719","","10.1021/cm061151p","","","0.71073","MoKα","","0.0209","0.0136","","","0.0303","0.037","","","","","","0.883","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001581","29.272","0.0019","11.7396","0.0007","11.2259","0.0007","90","","110.548","0.003","90","","3612.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","beta-phase BPBN","biphenyl-3,5-diyl bis(tert-butyl nitroxide)","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C160 H208 N16 O16 -","8","1","","Nishimaki, Hirokazu; Mashiyama, Shinichiro; Yasui, Masanori; Nogami, Takashi; Ishida, Takayuki","Bistable Polymorphs Showing Diamagnetic and Paramagnetic States of an Organic Crystalline Biradical Biphenyl-3,5-diyl Bis(tert-butylnitroxide)","Chemistry of Materials","2006","18","16","3602","","10.1021/cm061222k","","","0.71073","MoKα","","0.0438","0.0358","","","0.098","0.1001","","","","","","1.054","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001582","9.2145","0.0002","9.2145","0.0002","6.1938","0.0002","90","","90","","120","","455.44","0.02","293","2","293","2","","","","","","","synthesis as described","3","P 63/m c m","-P 6c 2","193","","","","- Sb5 Sc U3 -","- Sb5 Sc U3 -","- Sb10 Sc2 U6 -","2","0.0833333","","Mar, Arthur; Tougait, Olivier; Potel, Michel; Noël, Henri; Lopes, Elsa B.","Anisotropic Transport and Magnetic Properties of Ternary Uranium Antimonides U3ScSb5and U3TiSb5","Chemistry of Materials","2006","18","18","4533","","10.1021/cm061281y","","x-ray","0.71069","MoKα","","0.0329","0.0288","","","0.0677","0.0704","","","","","","1.07","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001583","7.912","0.0011","9.215","0.0015","14.86","0.002","86.59","0.006","78.66","0.01","86.46","0.011","1059","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0904","0.0666","","","0.1221","0.1326","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001584","7.9371","0.0011","9.2656","0.0015","14.922","0.002","86.736","0.006","78.692","0.01","86.227","0.011","1072.7","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0942","0.0595","","","0.1005","0.1245","","","","","","1.001","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001585","7.986","0.0012","9.341","0.0017","14.956","0.003","87","0.006","79.037","0.012","85.846","0.011","1091.6","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0974","0.0614","","","0.1054","0.1321","","","","","","1.004","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001586","7.9487","0.0005","9.8685","0.0009","14.6035","0.0013","91.109","0.003","98.639","0.005","95.885","0.005","1125.85","0.16","350","2","350","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0901","0.07","","","0.1318","0.1392","","","","","","1.004","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001587","7.9769","0.0008","9.8759","0.0012","14.674","0.0018","91.1","0.004","98.773","0.007","95.976","0.007","1135.5","0.2","400","2","400","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.1167","0.0637","","","0.1277","0.1443","","","","","","1.004","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001588","7.8118","0.0005","10.217","0.0006","14.3138","0.0009","90.998","0.005","95.67","0.005","97.677","0.005","1126.11","0.12","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Br Fe N7 S2 -","- C19 H22 Br Fe N7 S2 -","- C38 H44 Br2 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0426","0.0363","","","0.095","0.0985","","","","","","0.953","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001589","7.028","0.0014","11.757","0.002","13.503","0.003","90","","90","","90","","1115.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H6 Na3 O12 Si3 Tb -","- H6 Na3 O12 Si3 Tb -","- H24 Na12 O48 Si12 Tb4 -","4","1","","Wang, Guangmei; Li, Jiyang; Yu, Jihong; Chen, Peng; Pan, Qinhe; Song, Hongwei; Xu, Ruren","Na3TbSi3O9·3H2O: A New Luminescent Microporous Terbium(III) Silicate Containing HelicalSechserSilicate Chains and 9-Ring Channels","Chemistry of Materials","2006","18","24","5637","","10.1021/cm061578w","","","0.71073","MoKα","","0.0172","0.0168","","","0.0419","0.042","","","","","","1.189","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001590","9.074","0.003","9.23","0.003","9.309","0.003","76.446","0.005","87.343","0.005","89.388","0.005","757.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 Al3 F N2 O12 P3 -","- C5 H9 Al3 F N2 O12 P3 -","- C10 H18 Al6 F2 N4 O24 P6 -","2","1","","Parnham, Emily R.; Morris, Russell E.","1-Alkyl-3-methyl Imidazolium Bromide Ionic Liquids in the Ionothermal Synthesis of Aluminium Phosphate Molecular Sieves","Chemistry of Materials","2006","18","20","4882","","10.1021/cm0615929","","","0.6933","synchrotron","","0.0555","0.0403","","","0.1117","0.1203","","","","","","1.041","","","","has coordinates","189835","2020-10-21","18:00:00",""
"4001591","11.2403","0.0003","11.9611","0.0004","15.8334","0.0007","93.619","0.001","93.373","0.002","117.863","0.002","1868.76","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 F6 N2 P S -","- C18 H19 F6 N2 P S -","- C72 H76 F24 N8 P4 S4 -","4","2","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.0801","0.0523","","","0.1265","0.1426","","","","","","1.022","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001592","11.1697","0.0002","11.6675","0.0003","13.0687","0.0003","91.495","0.001","104.711","0.001","99.428","0.001","1620.97","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 B N2 S -","- C42 H39 B N2 S -","- C84 H78 B2 N4 S2 -","2","1","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.0586","0.0467","","","0.1194","0.1276","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001593","13.2042","0.0006","11.2894","0.0005","15.976","0.0008","90","","94.29","0.002","90","","2374.83","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N2 O4.5 S2 -","- C25 H29 N2 O4.5 S2 -","- C100 H116 N8 O18 S8 -","4","1","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.0876","0.0555","","","0.1091","0.1208","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001594","7.63","0.012","10.007","0.015","16.8","0.02","104.12","0.13","91.96","0.11","108.19","0.09","1173","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O3 S2 -","- C27 H28 N2 O3 S2 -","- C54 H56 N4 O6 S4 -","2","1","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.2783","0.1514","","","0.2528","0.3016","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001595","5.810528","0.000007","5.810528","","23.88459","0.00005","90","","90","","120","","698.36","0.0017","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ba5 Mg0.125 O15 Ta3.95 -","- Ba4.99999 Mg0.125 O15 Ta3.95 -","- Ba9.99998 Mg0.25 O30 Ta7.9 -","2","0.166667","","Mallinson, P.; Claridge, J. B.; Iddles, D.; Price, T.; Ibberson, R. M.; Allix, M.; Rosseinsky, M. J.","New 10-Layer Hexagonal Perovskites: Relationship between Cation and Vacancy Ordering and Microwave Dielectric Loss","Chemistry of Materials","2006","18","26","6227","","10.1021/cm0616477","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001596","9.4592714","0.0000006","9.4592714","0.0000006","10.5588446","0.0000005","90","","90","","120","","818.206","0.00008","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg Mo6 S8 -","- Mg0.99996 Mo6 S8 -","- Mg2.99988 Mo18 S24 -","3","","","Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O.","Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides","Chemistry of Materials","2006","18","23","5492","","10.1021/cm061656f","powder diffraction","neutron","1.9106","neutron","","","","","","","","","5.6199","1.59","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001597","9.7630596","0.000001","9.7630596","0.000001","10.3689375","0.000001","90","","90","","120","","855.927","0.00015","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg2 Mo6 S8 -","- Mg1.99992 Mo6 S8 -","- Mg5.99976 Mo18 S24 -","3","","","Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O.","Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides","Chemistry of Materials","2006","18","23","5492","","10.1021/cm061656f","powder diffraction","neutron","1.9106","neutron","","","","","","","","","6.6854","0.6703","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001598","10.69557","0.00022","11.32418","0.00022","8.49009","0.00015","90","","122.384","0.0011","90","","868.38","0.03","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Ca Mn3 O6 -","- Ca Mn3 O6 -","- Ca8 Mn24 O48 -","8","2","","Hadermann, Joke; Abakumov, Artem M.; Gillie, Lisa J.; Martin, Christine; Hervieu, Maryvonne","Coupled Cation and Charge Ordering in the CaMn3O6Tunnel Structure","Chemistry of Materials","2006","18","23","5530","","10.1021/cm0618998","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001599","15.547","0.0009","22.3388","0.0013","15.6068","0.0009","90","","90.668","0.001","90","","5419.9","0.5","125","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","p-hexanoylcalixarene-EHMC","","","- C61 H76 O9.5 -","- C61 H76 O9.5 -","- C244 H304 O38 -","4","1","","Pojarova, Michaela; Ananchenko, Gennady S.; Udachin, Konstantin A.; Daroszewska, Malgosia; Perret, Florent; Coleman, Anthony W.; Ripmeester, John A.","Solid Lipid Nanoparticles ofp-Hexanoyl Calix[4]arene as a Controlling Agent in the Photochemistry of a Sunscreen Blocker","Chemistry of Materials","2006","18","25","5817","","10.1021/cm061993o","","","0.7107","MoKα","","0.1451","0.0944","","","0.2717","0.3268","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001600","15.399","0.002","9.5815","0.0015","32.617","0.005","90","","103.14","0.015","90","","4686.5","1.2","108","2","108","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H38 Cl N5 W -","- C17 H38 Cl N5 W -","- C136 H304 Cl8 N40 W8 -","8","1","","Rische, Daniel; Parala, Harish; Gemel, Eliza; Winter, Manuela; Fischer, Roland A.","New Tungsten(VI) Guanidinato Complexes: Synthesis, Characterization, and Application in Metal−Organic Chemical Vapor Deposition of Tungsten Nitride Thin Films","Chemistry of Materials","2006","18","25","6075","","10.1021/cm061999d","","","0.71073","MoKα","","0.1456","0.0528","","","0.0685","0.0863","","","","","","0.848","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001601","8.8327","0.0006","19.0411","0.0013","15.2788","0.001","90","","101.43","0.006","90","","2518.7","0.3","105","2","108","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H41 Cl2 N5 W -","- C18 H41 Cl2 N5 W -","- C72 H164 Cl8 N20 W4 -","4","1","","Rische, Daniel; Parala, Harish; Gemel, Eliza; Winter, Manuela; Fischer, Roland A.","New Tungsten(VI) Guanidinato Complexes: Synthesis, Characterization, and Application in Metal−Organic Chemical Vapor Deposition of Tungsten Nitride Thin Films","Chemistry of Materials","2006","18","25","6075","","10.1021/cm061999d","","","0.71073","MoKα","","0.0301","0.0263","","","0.0411","0.0415","","","","","","1.954","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001726","15.374","","15.772","","13.715","","90","","90","","90","","3325.6","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ag10 Te4 Br3","","- Ag10 Br3 Te4 -","- Ag10 Br3 Te4 -","- Ag80 Br24 Te32 -","8","0.5","","Lange, S.; Nilges, T.","Ag10 Te4 Br3: a new silver(I) (poly)chalcogenide halide solid electrolytes","Chemistry of Materials (1,1989-)","2006","18","","2538","2544","","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002016","9.1967","0.0001","23.6789","0.0005","10.7839","0.0002","90","","92.109","0.001","90","","2346.79","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-diphenyl-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C25 H26 N2 O3 Sn -","- C25 H26 N2 O3 Sn -","- C100 H104 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0514","0.0349","","","0.09","0.1022","","","","","","1.014","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002017","10.4084","0.0001","12.4262","0.0001","21.8325","0.0002","90","","90","","90","","2823.75","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((1-methyl)propyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C29 H34 N2 O3 Sn -","- C29 H34 N2 O3 Sn -","- C116 H136 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0299","0.0259","","","0.064","0.0669","","","","","","1.092","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002018","9.9176","0.0001","13.6235","0.0002","20.3957","0.0004","90","","90","","90","","2755.71","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-(1-methylsufanyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C28 H32 N2 O3 S Sn -","- C28 H32 N2 O3 S Sn -","- C112 H128 N8 O12 S4 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0464","0.0325","","","0.0655","0.0711","","","","","","1.181","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002019","10.3454","0.0001","12.6901","0.0002","21.4191","0.0004","90","","90","","90","","2811.99","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((2-methyl)propyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C29 H34 N2 O3 Sn -","- C29 H34 N2 O3 Sn -","- C116 H136 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0502","0.0315","","","0.062","0.0684","","","","","","1.018","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002020","10.6965","0.0002","12.8584","0.0002","20.0495","0.0003","90","","90","","90","","2757.61","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((1-methyl)ethyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C28 H32 N2 O3 Sn -","- C28 H32 N2 O3 Sn -","- C112 H128 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0538","0.0361","","","0.0739","0.082","","","","","","1.158","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002361","11.8816","","11.8816","","7.0714","","90","","90","","120","","864.542","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Ba6 La2 Fe4 O15","","- Ba6 Fe4 La2 O15 -","- Ba5.9999 Fe4 La2.0001 O15 -","- Ba11.9998 Fe8 La4.0002 O30 -","2","0.166667","","Abe, K.; Doi, Y.; Hinatsu, Y.; Ohoyama, K.","Magnetic properties of the spin tetramer compound Ba6 La2 Fe4 O15","Chemistry of Materials (1,1989-)","2006","18","","785","789","","","","","","","","","","","","","","","","","","","","","","has coordinates","150286","2020-10-21","18:00:00",""
"4002362","11.8426","","11.8426","","7.09","","90","","90","","120","","861.134","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Ba6 La2 Ga4 O15","","- Ba6 Ga4 La2 O15 -","- Ba5.9999 Ga4 La2.0001 O15 -","- Ba11.9998 Ga8 La4.0002 O30 -","2","0.166667","","Abe, K.; Doi, Y.; Hinatsu, Y.; Ohoyama, K.","Magnetic properties of the spin tetramer compound Ba6 La2 Fe4 O15","Chemistry of Materials (1,1989-)","2006","18","","785","789","","","","","","","","","","","","","","","","","","","","","","has coordinates","150287","2020-10-21","18:00:00",""
"4002368","10.31317","","12.69752","","21.886","","89.6565","","90","","90","","2865.96","","","","","","","","","","","","","3","P 2/m 1 1","-P 2x","10","","Al (P O4)","","- Al0.5 O2 P0.5 -","- Al0.5 O2 P0.5 -","- Al12 O48 P12 -","24","6","","Afeworki, M.; Dorset, D.L.; Kennedy, G.J.; Strohmaier, K.G.","Synthesis and characterization of a new microporous material. 1. Structure of aluminophosphate EMM-3","Chemistry of Materials (1,1989-)","2006","18","","1697","1704","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002369","5.37546","","5.37546","","13.39334","","90","","90","","120","","335.159","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bi Al O3","","- Al Bi O3 -","- Al Bi O3 -","- Al6 Bi6 O18 -","6","0.333333","","Belik, A.A.; Wuernisha, T.; Nagai, T.; Mori, K.; Maie, M.; Kamiyama, T.; Matsui, Y.; Takayama-Muromachi, E.","High-pressure synthesis, crystal structures, and properties of perovskite-like Bi Al O3 and pyroxene-like Bi Ga O3","Chemistry of Materials (1,1989-)","2006","18","","133","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002370","5.4162","","5.1335","","9.9369","","90","","90","","90","","276.286","","","","","","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- Bi Ga O3 -","- Bi Ga O3 -","- Bi4 Ga4 O12 -","4","0.5","","Belik, A.A.; Matsui, Y.; Kamiyama, T.; Wuernisha, T.; Mori, K.; Maie, M.; Nagai, T.; Takayama-Muromachi, E.","High-pressure synthesis, crystal structures, and properties of perovskite-like Bi Al O3 and pyroxene-like Bi Ga O3","Chemistry of Materials (1,1989-)","2006","18","","133","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002371","5.95463","","5.60182","","8.38631","","90","","90","","90","","279.74","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Bi In O3 -","- Bi In O3 -","- Bi4 In4 O12 -","4","1","","Belik, A.A.; Takayama-Muromachi, E.; Lazoryak, B.I.; Stefanovich, S.Yu.","Bi In O3: a polar oxide with Gd Fe O3-type perovskite structure","Chemistry of Materials (1,1989-)","2006","18","","1964","1968","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002372","5.95462","","8.3864","","5.60185","","90","","90","","90","","279.744","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi In O3 -","- Bi In O3 -","- Bi4 In4 O12 -","4","0.5","","Belik, A.A.; Lazoryak, B.I.; Stefanovich, S.Yu.; Takayama-Muromachi, E.","Bi In O3: a polar oxide with Gd Fe O3-type perovskite structure","Chemistry of Materials (1,1989-)","2006","18","","1964","1968","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002376","5.9764","","5.9795","","8.5988","","89.86","","90.041","","90.013","","307.285","","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","Ba2 Nd Mo O6","","- Ba2 Mo Nd O6 -","- Ba2 Mo Nd O6 -","- Ba4 Mo2 Nd2 O12 -","2","","","Cussen, E.J.; Lynham, D.R.; Rogers, J.","Magnetic order arising from structural distortion: structure and magnetic properties of Ba2 Ln Mo O6","Chemistry of Materials (1,1989-)","2006","18","","2855","2866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002377","5.98954","","5.98954","","8.5003","","90","","90","","90","","304.945","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Ba2 Sm Mo O6","","- Ba2 Mo O6 Sm -","- Ba2 Mo O6 Sm -","- Ba4 Mo2 O12 Sm2 -","2","0.0625","","Cussen, E.J.; Lynham, D.R.; Rogers, J.","Magnetic order arising from structural distortion: structure and magnetic properties of Ba2 Ln Mo O6","Chemistry of Materials (1,1989-)","2006","18","","2855","2866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002378","5.2706","","6.5206","","5.0706","","90","","90","","90","","174.264","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Mn Si N2","","- Mn N2 Si -","- Mn N2 Si -","- Mn4 N8 Si4 -","4","1","","Esmaeilzadeh, S.; Halenius, E.; Valldor, M.","Crystal growth, magnetic, and optical properties of the ternary nitride Mn Si N2","Chemistry of Materials (1,1989-)","2006","18","","2713","2718","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002379","9.4812","","9.4812","","6.9139","","90","","90","","120","","538.245","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Eu8.18 Na1.08) (Si O4)6 (O H)1.62","","- Eu8.18 H1.62 Na1.08 O25.62 Si6 -","- Eu8.18 Na1.08 O25.62 Si6 -","- Eu8.18 Na1.08 O25.62 Si6 -","1","0.0833333","","Ferdov, S.; Sa Ferreira, R.A.; Lin Zhi","Hydrothermal synthesis, structural investigation, photoluminescence features, and emission quantum yield of Eu and Eu-Gd silicates with apatite-type structure","Chemistry of Materials (1,1989-)","2006","18","","5958","5964","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002380","9.494","","9.494","","6.8975","","90","","90","","120","","538.42","","","","","","","","","","","","","6","P 63/m","-P 6c","176","","(Eu2.46 Gd2.46 Na1.2) (Eu1.5 Gd1.5) (Si O4)6 (O H)1.86","","- Eu3.96 Gd3.96 H1.86 Na1.2 O25.86 Si6 -","- Eu3.96 Gd3.96 Na1.2 O25.86 Si6 -","- Eu3.96 Gd3.96 Na1.2 O25.86 Si6 -","1","0.0833333","","Ferdov, S.; Sa Ferreira, R.A.; Lin Zhi","Hydrothermal synthesis, structural investigation, photoluminescence features, and emission quantum yield of Eu and Eu-Gd silicates with apatite-type structure","Chemistry of Materials (1,1989-)","2006","18","","5958","5964","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002386","7.56754","","18.1187","","26.0606","","90","","90","","90","","3573.27","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Na0.93 Si5 O10 (H2 O)3.13","","- H6.26 Na0.93 O13.13 Si5 -","- Na0.925 O13.125 Si5 -","- Na11.1 O157.5 Si60 -","12","1.5","","Gualtieri, A.F.; van Beek, W.; Galli, E.; di Renzo, F.; Ferrari, S.","Rietveld structure refinement of zeolite ECR-1","Chemistry of Materials (1,1989-)","2006","18","","76","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","150938","2020-10-21","18:00:00",""
"4002387","7.56244","","18.1924","","26.0953","","90","","90","","90","","3590.16","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(N H4)2.5 O36.69 Si15","","- H10 N2.5 O36.69 Si15 -","- H10 N2.5 O36.69 Si15 -","- H40 N10 O146.76 Si60 -","4","0.5","","Gualtieri, A.F.; Ferrari, S.; van Beek, W.; di Renzo, F.; Galli, E.","Rietveld structure refinement of zeolite ECR-1","Chemistry of Materials (1,1989-)","2006","18","","76","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","150939","2020-10-21","18:00:00",""
"4002388","18.314","","18.314","","7.6854","","90","","90","","120","","2232.36","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na7.26 (Ga8.9 Si27.1 O72)","","- Ga8.9 Na7.26 O72 Si27.1 -","- Ga8.8992 Na7.26 O72 Si27.1008 -","- Ga8.8992 Na7.26 O72 Si27.1008 -","1","0.0416667","","Han, B.; Chin, C.-H.; Warrender, S.J.; Camblor, M.A.; Lightfoot, P.; Wright, P.A.; Hong, S.B.","Structural chemical zoning in the boundary phase zeolite TNU-7 (EON)","Chemistry of Materials (1,1989-)","2006","18","","3023","3033","","","","","","","","","","","","","","","","","","","","","","has coordinates","150955","2020-10-21","18:00:00",""
"4002389","7.57214","","18.0739","","25.8438","","90","","90","","90","","3536.93","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Na12.4 (Ga12.4 Si47.6 O120)","","- Ga12.4 Na12.4 O120 Si47.6 -","- Ga12.402 Na12.3456 O120 Si47.598 -","- Ga12.402 Na12.3456 O120 Si47.598 -","1","0.125","","Han, B.; Chin, C.-H.; Lightfoot, P.; Warrender, S.J.; Hong, S.B.; Camblor, M.A.; Wright, P.A.","Structural chemical zoning in the boundary phase zeolite TNU-7 (EON)","Chemistry of Materials (1,1989-)","2006","18","","3023","3033","","","","","","","","","","","","","","","","","","","","","","has coordinates","150956","2020-10-21","18:00:00",""
"4002390","18.0176","","20.2835","","7.49243","","90","","90","","90","","2738.18","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Na8.34 (Ga6.998 Si41 O96)","","- Ga6.998 Na8.34 O96 Si41 -","- Ga6.9984 Na8.36 O96 Si41.0016 -","- Ga6.9984 Na8.36 O96 Si41.0016 -","1","0.0625","","Han, B.; Chin, C.-H.; Warrender, S.J.; Camblor, M.A.; Wright, P.A.; Lightfoot, P.; Hong, S.B.","Structural chemical zoning in the boundary phase zeolite TNU-7 (EON)","Chemistry of Materials (1,1989-)","2006","18","","3023","3033","","","","","","","","","","","","","","","","","","","","","","has coordinates","150957","2020-10-21","18:00:00",""
"4002391","10.0003","","10.0003","","10.0003","","90","","90","","90","","1000.09","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Cu3 (Co (C N)6)2","","- C12 Co2 Cu3 N12 -","- C12 Co2 Cu3 N12 -","- C12 Co2 Cu3 N12 -","1","0.00520833","","Hartman, M.R.; Peterson, C.K.; Liu Yun","Neutron diffraction and neutron vibrational spectroscopy studies of hydrogen adsorption in the Prussian blue analogue Cu3 [Co (C N)6]2","Chemistry of Materials (1,1989-)","2006","18","","3221","3224","","","","","","","","","","","","","","","","","","","","","","has coordinates","150974","2020-10-21","18:00:00",""
"4002392","5.216","","5.803","","7.2816","","90","","90","","90","","220.403","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Yb Mn O3","","- Mn O3 Yb -","- Mn O3 Yb -","- Mn4 O12 Yb4 -","4","0.5","","Huang, Y.H.; Karppinen, M.; Fjellvag, H.; Hauback, B.C.; Yamauchi, H.; Goodenough, J.B.","Crystal and magnetic structure of the orthorhombic perovskite Yb Mn O3","Chemistry of Materials (1,1989-)","2006","18","","2130","2134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002393","10.66591","","10.66591","","10.66591","","90","","90","","90","","1213.37","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Ba8 (Cu4.602 Ge1.194) Ge39.641","","- Ba8 Cu4.602 Ge40.835 -","- Ba8 Cu4.602 Ge40.8348 -","- Ba8 Cu4.602 Ge40.8348 -","1","0.0208333","","Johnson, S.; Bentien, A.; Madsen, G.K.H.; Iversen, B.B.","Crystal structure, band structure, and physical properties of Ba8 Cu(6-x) Ge(40+x) (0 <= x <= 0.7)","Chemistry of Materials (1,1989-)","2006","18","","4633","4642","","","","","","","","","","","","","","","","","","","","","","has coordinates","151084","2020-10-21","18:00:00",""
"4002394","10.67579","","10.67579","","10.67579","","90","","90","","90","","1216.75","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Cu6 Ge40 -","- Ba8 Cu6 Ge40 -","- Ba8 Cu6 Ge40 -","1","0.0208333","","Johnson, S.; Bentien, A.; Madsen, G.K.H.; Iversen, B.B.","Crystal structure, band structure, and physical properties of Ba8 Cu(6-x) Ge(40+x) (0 <= x <= 0.7)","Chemistry of Materials (1,1989-)","2006","18","","4633","4642","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002396","7.7322","","7.7322","","15.528","","90","","90","","90","","928.371","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr0.90 Bi0.10 Co O2.635","","- Bi0.1 Co O2.635 Sr0.9 -","- Bi0.1 Co O2.635 Sr0.9 -","- Bi1.6 Co16 O42.16 Sr14.4 -","16","0.5","","Knee, C.S.; Lindberg, F.; Khan, N.; Svensson, G.; Svedlindh, P.; Eriksson, S.G.; Boerjesson, L.; Rundloef, H.","Influence of oxygen defects on the structure and magnetic properties of Sr(1-x)Bi(x) Co O(3-y) (0.1 <= x <= 0.2) supercell perovskites","Chemistry of Materials (1,1989-)","2006","18","","1354","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002397","7.78412","","7.78412","","15.5886","","90","","90","","90","","944.553","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr0.70 Bi0.30 Co O2.68","","- Bi0.3 Co O2.68 Sr0.7 -","- Bi0.3 Co O2.68 Sr0.7 -","- Bi4.8 Co16 O42.88 Sr11.2 -","16","0.5","","Knee, C.S.; Lindberg, F.; Boerjesson, L.; Eriksson, S.G.; Svensson, G.; Khan, N.; Rundloef, H.; Svedlindh, P.","Influence of oxygen defects on the structure and magnetic properties of Sr(1-x)Bi(x) Co O(3-y) (0.1 <= x <= 0.2) supercell perovskites","Chemistry of Materials (1,1989-)","2006","18","","1354","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002398","7.7978","","7.7978","","15.618","","90","","90","","90","","949.663","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr0.60 Bi0.40 Co O2.64","","- Bi0.4 Co O2.64 Sr0.6 -","- Bi0.4 Co O2.64 Sr0.6 -","- Bi6.4 Co16 O42.24 Sr9.6 -","16","0.5","","Knee, C.S.; Lindberg, F.; Boerjesson, L.; Svensson, G.; Svedlindh, P.; Khan, N.; Rundloef, H.; Eriksson, S.G.","Influence of oxygen defects on the structure and magnetic properties of Sr(1-x)Bi(x) Co O(3-y) (0.1 <= x <= 0.2) supercell perovskites","Chemistry of Materials (1,1989-)","2006","18","","1354","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002399","3.86216","","3.86216","","3.86216","","90","","90","","90","","57.609","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr0.88 Bi0.12 Co O2.724","","- Bi0.12 Co O2.724 Sr0.88 -","- Bi0.12 Co O2.724 Sr0.88 -","- Bi0.12 Co O2.724 Sr0.88 -","1","0.0208333","","Knee, C.S.; Lindberg, F.; Boerjesson, L.; Khan, N.; Svensson, G.; Rundloef, H.; Svedlindh, P.; Eriksson, S.G.","Influence of oxygen defects on the structure and magnetic properties of Sr(1-x)Bi(x) Co O(3-y) (0.1 <= x <= 0.2) supercell perovskites","Chemistry of Materials (1,1989-)","2006","18","","1354","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002400","3.8534","","3.8534","","3.8534","","90","","90","","90","","57.218","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr0.855 Bi0.145 Co O2.736","","- Bi0.145 Co O2.736 Sr0.855 -","- Bi0.145 Co O2.736 Sr0.855 -","- Bi0.145 Co O2.736 Sr0.855 -","1","0.0208333","","Knee, C.S.; Eriksson, S.G.; Khan, N.; Svensson, G.; Lindberg, F.; Svedlindh, P.; Boerjesson, L.; Rundloef, H.","Influence of oxygen defects on the structure and magnetic properties of Sr(1-x)Bi(x) Co O(3-y) (0.1 <= x <= 0.2) supercell perovskites","Chemistry of Materials (1,1989-)","2006","18","","1354","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002403","9.0312","","9.0312","","7.0254","","90","","90","","120","","496.241","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Ca5 Sb3 -","- Ca5 Sb3 -","- Ca10 Sb6 -","2","0.0833333","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen in polar intermetallics. Binary pnictides of divalent metals with Mn5 Si3-type structures and their isotypic ternary hydride solutions","Chemistry of Materials (1,1989-)","2006","18","","4782","4792","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002404","8.917","","8.917","","7.302","","90","","90","","120","","502.817","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Sr5 As3 H","","- As3 H Sr5 -","- As3 H Sr5 -","- As6 H2 Sr10 -","2","0.0833333","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen in polar intermetallics. Binary pnictides of divalent metals with Mn5 Si3-type structures and their isotypic ternary hydride solutions","Chemistry of Materials (1,1989-)","2006","18","","4782","4792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002405","9.1043","","9.1043","","6.3451","","90","","90","","120","","455.473","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Sm5 Sb3 H","","- H Sb3 Sm5 -","- H Sb3 Sm5 -","- H2 Sb6 Sm10 -","2","0.0833333","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen in polar intermetallics. Binary pnictides of divalent metals with Mn5 Si3-type structures and their isotypic ternary hydride solutions","Chemistry of Materials (1,1989-)","2006","18","","4782","4792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002406","9.4183","","9.4183","","7.2124","","90","","90","","120","","554.058","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Eu5 Sb3 -","- Eu5 Sb3 -","- Eu10 Sb6 -","2","0.0833333","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen in polar intermetallics. Binary pnictides of divalent metals with Mn5 Si3-type structures and their isotypic ternary hydride solutions","Chemistry of Materials (1,1989-)","2006","18","","4782","4792","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002407","9.5551","","9.5551","","7.3256","","90","","90","","120","","579.221","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Eu5 Bi3","","- Bi3 Eu5 -","- Bi3 Eu5 -","- Bi6 Eu10 -","2","0.0833333","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen in polar intermetallics. Binary pnictides of divalent metals with Mn5 Si3-type structures and their isotypic ternary hydride solutions","Chemistry of Materials (1,1989-)","2006","18","","4782","4792","","","","","","","","","","","","","","","","","","","","","","has coordinates","151253","2020-10-21","18:00:00",""
"4002408","9.0366","","9.0366","","6.9044","","90","","90","","120","","488.277","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Yb5 Sb3","","- Sb3 Yb5 -","- Sb3 Yb5 -","- Sb6 Yb10 -","2","0.0833333","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen in polar intermetallics. Binary pnictides of divalent metals with Mn5 Si3-type structures and their isotypic ternary hydride solutions","Chemistry of Materials (1,1989-)","2006","18","","4782","4792","","","","","","","","","","","","","","","","","","","","","","has coordinates","151254","2020-10-21","18:00:00",""
"4002411","3.7927","","3.7927","","13.2003","","90","","90","","90","","189.881","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La1.5 Sr0.5) (Mn0.5 Cu0.5) O4","","- Cu0.5 La1.5 Mn0.5 O4 Sr0.5 -","- Cu0.5 La1.5 Mn0.5 O4 Sr0.5 -","- Cu La3 Mn O8 Sr -","2","0.0625","","McCabe, E.E.; Greaves, C.","Synthesis and structural and magnetic characterization of mixed manganese-copper n = 1 Ruddlesden-Popper phases","Chemistry of Materials (1,1989-)","2006","18","","5774","5781","","","","","","","","","","","","","","","","","","","","","","has coordinates","151336","2020-10-21","18:00:00",""
"4002412","3.8154","","3.8154","","12.8262","","90","","90","","90","","186.715","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La Sr) (Mn0.5 Cu0.5) O4","","- Cu0.5 La Mn0.5 O4 Sr -","- Cu0.5 La Mn0.5 O4 Sr -","- Cu La2 Mn O8 Sr2 -","2","0.0625","","McCabe, E.E.; Greaves, C.","Synthesis and structural and magnetic characterization of mixed manganese-copper n = 1 Ruddlesden-Popper phases","Chemistry of Materials (1,1989-)","2006","18","","5774","5781","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002413","3.79161","","3.79161","","12.716","","90","","90","","90","","182.809","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Pr Sr) (Mn0.5 Cu0.5) O4","","- Cu0.5 Mn0.5 O4 Pr Sr -","- Cu0.5 Mn0.5 O4 Pr Sr -","- Cu Mn O8 Pr2 Sr2 -","2","0.0625","","McCabe, E.E.; Greaves, C.","Synthesis and structural and magnetic characterization of mixed manganese-copper n = 1 Ruddlesden-Popper phases","Chemistry of Materials (1,1989-)","2006","18","","5774","5781","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002414","3.78285","","3.78285","","12.6574","","90","","90","","90","","181.127","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Nd Sr) (Mn0.5 Cu0.5) O4","","- Cu0.5 Mn0.5 Nd O4 Sr -","- Cu0.5 Mn0.5 Nd O4 Sr -","- Cu Mn Nd2 O8 Sr2 -","2","0.0625","","McCabe, E.E.; Greaves, C.","Synthesis and structural and magnetic characterization of mixed manganese-copper n = 1 Ruddlesden-Popper phases","Chemistry of Materials (1,1989-)","2006","18","","5774","5781","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002416","3.8244","","3.8244","","26.736","","90","","90","","90","","391.042","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li0.3 Ni0.85 La2 Ti3 O10","","- La2 Li0.3 Ni0.85 O10 Ti3 -","- La2 Ni0.85 O10 Ti3 -","- La4 Ni1.7 O20 Ti6 -","2","0.0625","","Neiner, D.; Spinu, L.; Golub, V.; Wiley, J.B.","Ferromagnetism in topochemically pepared layered perovskite Li0.3 Ni0.85 La2 Ti3 O10","Chemistry of Materials (1,1989-)","2006","18","","518","524","","","","","","","","","","","","","","","","","","","","","","has coordinates","151403","2020-10-21","18:00:00",""
"4002417","16.41","","16.41","","11.9154","","90","","90","","120","","2778.79","","","","","","","","","","","","","3","P 63","P 6c","173","","Mo6 S0.063 I9","","- I9 Mo6 S0.063 -","- I9 Mo6 S0.0625 -","- I54 Mo36 S0.375 -","6","1","","Paglia, G.; Bozin, E.S.; Vengust, D.; Mihailovic, D.; Billinge, S.J.L.","Accurate structure determination of Mo6 S(y) I(z) nanowires from atomic pair distribution function (PDF) analysis","Chemistry of Materials (1,1989-)","2006","18","","100","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","151450","2020-10-21","18:00:00",""
"4002419","5.286","","29.5334","","5.4027","","90","","90","","90","","843.435","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Ca2 Mn Al O5.5","","- Al Ca2 Mn O5.5 -","- Al Ca2 Mn O5.5 -","- Al8 Ca16 Mn8 O44 -","8","0.5","","Palmer, H.M.; Snedden, A.; Wright, A.J.; Greaves, C.","Crystal structure and magnetic properties of Ca2 Mn Al O5.5 an n=3 brownmillerite phase","Chemistry of Materials (1,1989-)","2006","18","","1130","1133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002420","7.255","","8.356","","7.934","","90","","91.68","","90","","480.774","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K Gd (P O3)4","","- Gd K O12 P4 -","- Gd K O12 P4 -","- Gd2 K2 O24 P8 -","2","1","","Parreu, I.; Carvajal, J.J.; Diaz, F.; Solans, X.; Aguilo, M.","Crystal structure and optical characterization of pure and Nd-substituted type III K Gd (P O3)4","Chemistry of Materials (1,1989-)","2006","18","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002421","7.286","","8.442","","8.034","","90","","92.17","","90","","493.804","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K Nd (P O3)4","","- K Nd O12 P4 -","- K Nd O12 P4 -","- K2 Nd2 O24 P8 -","2","1","","Parreu, I.; Aguilo, M.; Solans, X.; Diaz, F.; Carvajal, J.J.","Crystal structure and optical characterization of pure and Nd-substituted type III K Gd (P O3)4","Chemistry of Materials (1,1989-)","2006","18","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002426","5.48027","","5.48027","","7.75591","","90","","90","","90","","232.936","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Li0.3 La0.567 Ti O3","","- La0.567 Li0.3 O3 Ti -","- La0.567 Li0.3 O3 Ti -","- La2.268 Li1.2 O12 Ti4 -","4","0.125","","Sommariva, M.; Catti, M.","Neutron diffraction study of quenched Li0.3 La0.567 Ti O3 lithium ion conducting perovskite","Chemistry of Materials (1,1989-)","2006","18","","2411","2417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002427","3.89644","","3.89644","","3.89748","","90","","90","","90","","59.172","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Li0.3 La0.567 Ti O3","","- La0.567 Li0.3 O3 Ti -","- La0.567 Li0.3 O3 Ti -","- La0.567 Li0.3 O3 Ti -","1","0.0625","","Sommariva, M.; Catti, M.","Neutron diffraction study of quenched Li0.3 La0.567 Ti O3 lithium ion conducting perovskite","Chemistry of Materials (1,1989-)","2006","18","","2411","2417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002428","3.8219","","3.8219","","4.62803","","90","","90","","90","","67.601","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","(Bi2 Zn Ti O6).5","","- Bi O3 Ti0.5 Zn0.5 -","- Bi O3 Ti0.5 Zn0.5 -","- Bi O3 Ti0.5 Zn0.5 -","1","0.125","","Suchomel, M.R.; Fogg, A.M.; Claridge, J.B.; Niu Hongjun; Allix, M.; Rosseinsky, M.J.","Bi2 Zn Ti O3: A lead-free closed-shell polar perovskite with a calculated ionic polarization of 150 mueC cm-2","Chemistry of Materials (1,1989-)","2006","18","","4987","4989","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002431","12.959","","10.12","","13.121","","95.696","","86.305","","88.417","","1707.7","","","","","","","","","","","","","2","P -1","-P 1","2","","Si O2","","- O2 Si -","- O2 Si -","- O32 Si16 -","16","8","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002432","17.39","","17.39","","13.036","","90","","90","","120","","3414.08","","","","","","","","","","","","","2","P 62","P 62","171","","Si O2","","- O2 Si -","- O2 Si -","- O48 Si24 -","24","4","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002433","17.813","","17.675","","17.834","","90","","90","","90","","5614.94","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","Si O2","","- O2 Si -","- O2 Si -","- O64 Si32 -","32","4","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002434","13.5","","13.5","","5.4321","","95.679","","84.335","","91.626","","980.157","","","","","","","","","","","","","2","P -1","-P 1","2","","Si O2","","- O2 Si -","- O2 Si -","- O32 Si16 -","16","8","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002435","15.8","","15.8","","9.96","","90","","90","","90","","2486.41","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Si O2","","- O2 Si -","- O2 Si -","- O64 Si32 -","32","2","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002436","18.36","","18.36","","5.147","","90","","90","","90","","1735","","","","","","","","","","","","","2","A m m 2","A 2 -2","38","","Si O2","","- O2.25 Si -","- O2.25 Si -","- O72 Si32 -","32","4","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002437","11.6","","11.6","","5.2","","90","","90","","90","","699.712","","","","","","","","","","","","","2","P 21 21 2","P 2 2ab","18","","Si O2","","- O2 Si -","- O2 Si -","- O32 Si16 -","16","4","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002438","13.68","","13.68","","10.49","","90","","90","","90","","1963.12","","","","","","","","","","","","","2","I 4/m","-I 4","87","","Si O2","","- O2 Si -","- O2 Si -","- O64 Si32 -","32","2","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002439","14.17","","12.73","","10.32","","90","","90","","90","","1861.56","","","","","","","","","","","","","2","P 2 2 2","P 2 2","16","","Si O2","","- O2 Si -","- O2 Si -","- O64 Si32 -","32","8","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002440","20.57","","9.739","","20.46","","90","","90","","90","","4098.78","","","","","","","","","","","","","2","P m m m","-P 2 2","47","","Si O2","","- O2 Si -","- O2 Si -","- O128 Si64 -","64","8","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002441","6.119","","6.132","","15.167","","90","","107.86","","90","","541.667","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","(Eu Ca) Ca (Cu2 O6)","","- Ca2 Cu2 Eu O6 -","- Ca2 Cu2 Eu O6 -","- Ca8 Cu8 Eu4 O24 -","4","0.5","","Xu Qiang; Klimczuk, T.; Jansen, J.; Zandbergen, H.W.; Cava, R.J.","Structure and magnetic properties of Eu2 Ca Cu2 O6","Chemistry of Materials (1,1989-)","2006","18","","4585","4591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002442","6.084","","6.148","","15.34","","90","","108.262","","90","","544.885","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Eu2 Ca (Cu2 O6)","","- Ca Cu2 Eu2 O6 -","- Ca Cu2 Eu2 O6 -","- Ca4 Cu8 Eu8 O24 -","4","0.5","","Xu Qiang; Klimczuk, T.; Jansen, J.; Zandbergen, H.W.; Cava, R.J.","Structure and magnetic properties of Eu2 Ca Cu2 O6","Chemistry of Materials (1,1989-)","2006","18","","4585","4591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002443","2.86","","2.86","","14.227","","90","","90","","120","","100.78","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li Co0.333 Ni0.333 Mn0.333 O2","","- Co0.333 Li Mn0.333 Ni0.333 O2 -","- Co0.33333 Li Mn0.33333 Ni0.334 O2 -","- Co0.99999 Li3 Mn0.99999 Ni1.002 O6 -","3","0.0833333","","Yin, S.-C.; Rho, Y.-H.; Swainson, I.; Nazar, L.F.","X-ray/neutron diffraction and electrochemical studies of lithium de/re-intercalation in Li(1-x) Co(1/3) Ni(1/3) Mn(1/3) O2 (x = 0 - 1)","Chemistry of Materials (1,1989-)","2006","18","","1901","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002444","2.8313","","2.8313","","14.31","","90","","90","","120","","99.344","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li0.84 Co0.333 Ni0.333 Mn0.333 O2","","- Co0.333 Li0.84 Mn0.333 Ni0.333 O2 -","- Co0.33333 Li0.83 Mn0.33333 Ni0.334 O2 -","- Co0.99999 Li2.49 Mn0.99999 Ni1.002 O6 -","3","0.0833333","","Yin, S.-C.; Rho, Y.-H.; Swainson, I.; Nazar, L.F.","X-ray/neutron diffraction and electrochemical studies of lithium de/re-intercalation in Li(1-x) Co(1/3) Ni(1/3) Mn(1/3) O2 (x = 0 - 1)","Chemistry of Materials (1,1989-)","2006","18","","1901","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","151959","2020-10-21","18:00:00",""
"4002445","2.822","","2.822","","14.463","","90","","90","","120","","99.748","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li0.63 Co0.333 Ni0.333 Mn0.333 O2","","- Co0.333 Li0.63 Mn0.333 Ni0.333 O2 -","- Co0.33333 Li0.63 Mn0.33333 Ni0.333 O2 -","- Co0.99999 Li1.89 Mn0.99999 Ni0.999 O6 -","3","0.0833333","","Yin, S.-C.; Swainson, I.; Rho, Y.-H.; Nazar, L.F.","X-ray/neutron diffraction and electrochemical studies of lithium de/re-intercalation in Li(1-x) Co(1/3) Ni(1/3) Mn(1/3) O2 (x = 0 - 1)","Chemistry of Materials (1,1989-)","2006","18","","1901","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","151960","2020-10-21","18:00:00",""
"4002446","2.8173","","2.8173","","14.534","","90","","90","","120","","99.904","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li0.48 Co0.333 Ni0.333 Mn0.333 O2","","- Co0.333 Li0.48 Mn0.333 Ni0.333 O2 -","- Co0.3333 Li0.48 Mn0.33333 Ni0.333 O2 -","- Co0.9999 Li1.44 Mn0.99999 Ni0.999 O6 -","3","0.0833333","","Yin, S.-C.; Rho, Y.-H.; Swainson, I.; Nazar, L.F.","X-ray/neutron diffraction and electrochemical studies of lithium de/re-intercalation in Li(1-x) Co(1/3) Ni(1/3) Mn(1/3) O2 (x = 0 - 1)","Chemistry of Materials (1,1989-)","2006","18","","1901","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","151961","2020-10-21","18:00:00",""
"4002447","2.8269","","2.8269","","4.4894","","90","","90","","120","","31.07","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Li0.04 Co0.333 Ni0.333 Mn0.333 O2","","- Co0.333 Li0.04 Mn0.333 Ni0.333 O2 -","- Co0.3333 Mn0.33333 Ni0.333 O2 -","- Co0.3333 Mn0.33333 Ni0.333 O2 -","1","0.0833333","","Yin, S.-C.; Rho, Y.-H.; Swainson, I.; Nazar, L.F.","X-ray/neutron diffraction and electrochemical studies of lithium de/re-intercalation in Li(1-x) Co(1/3) Ni(1/3) Mn(1/3) O2 (x = 0 - 1)","Chemistry of Materials (1,1989-)","2006","18","","1901","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","151962","2020-10-21","18:00:00",""
"4002448","9.4868","","4.9676","","11.261","","90","","92.262","","90","","530.279","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(Li (H2 O) Ni (N2 H3 C O2)3) (H2 O)0.5","","- C3 H12 Li N6 Ni O7.5 -","- C3 H12 Li N6 Ni O7.5 -","- C6 H24 Li2 N12 Ni2 O15 -","2","1","","Tey, S.L.; Reddy, M.V.; Ding, J.; Chowdary, B.V.R.; Rao, G.V.S.; Yi, J.; Vittal, J.J.","Synthesis, Structure, and Magnetic Properties of Precursors to LiMO2 Battery Materials","Chemistry of Materials (1,1989-)","2006","18","","1587","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002449","9.5324","","5.0019","","11.3136","","90","","92.337","","90","","538.985","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(Li (H2 O) Co (N2 H3 C O2)3) (H2 O)0.5","","- C3 H12 Co Li N6 O7.5 -","- C3 H12 Co Li N6 O7.5 -","- C6 H24 Co2 Li2 N12 O15 -","2","1","","Tey, S.L.; Reddy, M.V.; Rao, G.V.S.; Yi, J.; Vittal, J.J.; Chowdary, B.V.R.; Ding, J.","Synthesis, Structure, and Magnetic Properties of as Single Precursors to LiMO2 Battery Materials","Chemistry of Materials (1,1989-)","2006","18","","1587","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4021341","36.105","0.002","9.575","0.0006","24.62","0.002","90","","118.32","0.003","90","","7492.6","0.9","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 N4 O8 -","- C42 H44 N4 O8 -","- C336 H352 N32 O64 -","8","1","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.1912","0.0733","","","0.1092","0.1375","","","","","","1.094","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021342","27.5075","0.0005","7.0079","0.0002","18.2798","0.0004","90","","106.701","0.002","90","","3375.15","0.14","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 F6 O3 -","- C18 H18 F6 O3 -","- C144 H144 F48 O24 -","8","1","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.0967","0.0433","","","0.0864","0.1035","","","","","","1.008","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021343","8.6062","0.0001","13.2352","0.0002","17.0519","0.0003","110.104","0.001","94.328","0.001","90.126","0.001","1817.93","0.05","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 F6 O3 -","- C18 H20 F6 O3 -","- C72 H80 F24 O12 -","4","2","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.0885","0.0478","","","0.1003","0.1132","","","","","","1.099","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021344","6.7177","0.0002","23.6978","0.0006","8.5574","0.0002","90","","96.05","0.002","90","","1354.71","0.06","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 F6 O4 -","- C11 H16 F6 O4 -","- C44 H64 F24 O16 -","4","1","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.0747","0.0431","","","0.0968","0.1115","","","","","","1.01","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021345","6.6091","0.0005","14.7078","0.0011","18.1937","0.0015","87.77","0.003","87.23","0.003","87.682","0.003","1763.8","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 F6 O3 -","- C18 H20 F6 O3 -","- C72 H80 F24 O12 -","4","2","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.3533","0.0983","","","0.1423","0.1925","","","","","","1.134","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021346","15.527","0.002","6.0758","0.0008","20.691","0.003","90","","90","","90","","1952","0.4","193","2","193","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C96 H96 O16 -","8","2","","Fuye Gao; D. Jean Burnell","Reactions of 1,2-Bis(trimethylsilyloxy)cycloalkenes with the Diethyl Acetals of Aldehydes","Journal of Organic Chemistry","2006","71","","356","359","10.1021/jo051683+","","","0.71073","MoKα","","0.1009","0.0903","","","0.2068","0.2233","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021347","9.429","0.0004","11.28","0.0004","11.758","0.0005","93.023","0.002","111.262","0.002","98.409","0.002","1145.3","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(4,5-Dimethyl-cyclohexa-1,4-dienylmethyl)-4-methyl- N-(3-phenyl-prop-2-ynyl)-benzenesulfonamide","","- C25 H17 N O2 S -","- C12.5 H13.5 N0.5 O S0.5 -","- C50 H54 N2 O4 S2 -","4","2","","Sang Ick Lee; Se Yeoun Park; Ji Hoon Park; Il Gu Jung; Soo Young Choi; Young Keun Chung; Bun Yeoul Lee","Rhodium N-Heterocyclic Carbene-Catalyzed [4 + 2] and [5 + 2] Cycloaddition Reactions","Journal of Organic Chemistry","2006","71","","91","96","10.1021/jo051685u","","","0.71073","MoKα","","0.0714","0.0572","","","0.1639","0.181","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021348","5.5387","0.0003","8.7402","0.0006","22.2973","0.0013","90","","92.618","0.003","90","","1078.27","0.11","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-Phenyl-1,3,3a,6-tetrahydro-isobenzofuran","","- C14 H14 O -","- C14 H14 O -","- C56 H56 O4 -","4","1","","Sang Ick Lee; Se Yeoun Park; Ji Hoon Park; Il Gu Jung; Soo Young Choi; Young Keun Chung; Bun Yeoul Lee","Rhodium N-Heterocyclic Carbene-Catalyzed [4 + 2] and [5 + 2] Cycloaddition Reactions","Journal of Organic Chemistry","2006","71","","91","96","10.1021/jo051685u","","","0.71073","MoKα","","0.1167","0.0557","","","0.1127","0.146","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021349","16.8738","0.0003","10.5374","0.0003","38.3162","0.0009","90","","102.124","0.001","90","","6660.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 Cl N2 Rh -","- C35 H48 Cl N2 Rh -","- C280 H384 Cl8 N16 Rh8 -","8","2","","Sang Ick Lee; Se Yeoun Park; Ji Hoon Park; Il Gu Jung; Soo Young Choi; Young Keun Chung; Bun Yeoul Lee","Rhodium N-Heterocyclic Carbene-Catalyzed [4 + 2] and [5 + 2] Cycloaddition Reactions","Journal of Organic Chemistry","2006","71","","91","96","10.1021/jo051685u","","","0.71073","MoKα","","0.1314","0.055","","","0.1092","0.1344","","","","","","1.025","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021350","7.9161","0.0007","14.7653","0.0013","14.1615","0.0013","90","","97.593","0.002","90","","1640.7","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-[(2S,3S methyl), 2-[2'-benzyloxy-1'R-tert-butyl silyloxyl)ethyl]pentanoyl] borane-10,2-sultam","","- C31 H51 N O5 S Si -","- C31 H51 N O5 S Si -","- C62 H102 N2 O10 S2 Si2 -","2","1","","Gullapalli Kumaraswamy; Mogilisetti Padmaja; Bekkam Markondaiah; Nivedita Jena; Balasubramanian Sridhar; Marelli Udaya Kiran","Oppolzer Sultam Directed Aldol as a Key Step for the Stereoselective Syntheses of Antitumor Antibiotic Belactosin C and Its Synthetic Congeners","Journal of Organic Chemistry","2006","71","","337","340","10.1021/jo0516887","","","0.71073","MoKα","","0.0523","0.0469","","","0.1108","0.1149","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021351","18.3556","0.0013","11.4102","0.0008","11.9476","0.0009","90","","90","","90","","2502.3","0.3","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N-[(2R,3S methyl),2-[(2'-benzyloxyl-1'S-hydroxyl) ethyl]pentanoyl] borane-10,2-sultam","","- C25 H37 N O5 S -","- C25 H37 N O5 S -","- C100 H148 N4 O20 S4 -","4","1","","Gullapalli Kumaraswamy; Mogilisetti Padmaja; Bekkam Markondaiah; Nivedita Jena; Balasubramanian Sridhar; Marelli Udaya Kiran","Oppolzer Sultam Directed Aldol as a Key Step for the Stereoselective Syntheses of Antitumor Antibiotic Belactosin C and Its Synthetic Congeners","Journal of Organic Chemistry","2006","71","","337","340","10.1021/jo0516887","","","0.71073","MoKα","","0.0758","0.0584","","","0.1399","0.1514","","","","","","1.049","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021352","11.1859","0.0009","18.5274","0.0015","12.1749","0.001","90","","103.256","0.001","90","","2456","0.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-[(2R)-2-[2'-benzyloxy-1'R-hydroxy)ethy]pentanoyl]borane-10,2-sultam","","- C24 H35 N O5 S -","- C24 H35 N O5 S -","- C96 H140 N4 O20 S4 -","4","2","","Gullapalli Kumaraswamy; Mogilisetti Padmaja; Bekkam Markondaiah; Nivedita Jena; Balasubramanian Sridhar; Marelli Udaya Kiran","Oppolzer Sultam Directed Aldol as a Key Step for the Stereoselective Syntheses of Antitumor Antibiotic Belactosin C and Its Synthetic Congeners","Journal of Organic Chemistry","2006","71","","337","340","10.1021/jo0516887","","","0.71073","MoKα","","0.0832","0.0577","","","0.1463","0.1703","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021353","12.9853","0.0009","14.5042","0.0013","23.877","0.0018","91.64","0.01","100.62","0.01","111.35","0.01","4094.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H92 Cl6 D2 O7 -","- C93 H92 Cl6 D2 O7 -","- C186 H184 Cl12 D4 O14 -","2","1","","Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Convergent Synthesis of 10 nm Aryleneethynylene Molecular Wires by an Iterative Regioselective Deprotection/Sonogashira Coupling Protocol","Journal of Organic Chemistry","2006","71","","108","116","10.1021/jo051711o","","","0.71073","MoKα","","0.0885","0.0486","","","0.1163","0.1331","","","","","","0.96","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021354","10.2438","0.0014","18.815","0.003","10.9543","0.0011","90","","108.041","0.007","90","","2007.5","0.5","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 B F4 N3 O2 -","- C23 H18 B F4 N3 O2 -","- C92 H72 B4 F16 N12 O8 -","4","1","","Shin-ichi Naya; Hiroshi Ohtoshi; Makoto Nitta","Synthesis, Properties, and Oxidizing Ability of Areno-Annulated 1,3-Dimethyl-10-phenylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium Ions","Journal of Organic Chemistry","2006","71","","176","184","10.1021/jo051777j","","","0.71075","MoKα","","","0.0458","","","","0.0618","","","","","","1.471","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021355","9.308","0.004","11.827","0.005","18.955","0.009","90","","104.258","0.017","90","","2022.6","1.5","123.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 B F4 N3 O2 -","- C23 H18 B F4 N3 O2 -","- C92 H72 B4 F16 N12 O8 -","4","1","","Shin-ichi Naya; Hiroshi Ohtoshi; Makoto Nitta","Synthesis, Properties, and Oxidizing Ability of Areno-Annulated 1,3-Dimethyl-10-phenylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium Ions","Journal of Organic Chemistry","2006","71","","176","184","10.1021/jo051777j","","","0.71075","MoKα","","","0.0471","","","","0.0859","","","","","","1.206","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021356","21.577","0.004","7.3939","0.0015","15.952","0.003","90","","90","","90","","2545","0.9","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H15 N2 O2 S2 -","- C11 H15 N2 O2 S2 -","- C88 H120 N16 O16 S16 -","8","1","","Akiyuki Hamasaki; Richard Ducray; Dale L. Boger","Two Novel 1,2,4,5-Tetrazines that Participate in Inverse Electron Demand Diels-Alder Reactions with an Unexpected Regioselectivity","Journal of Organic Chemistry","2006","71","","185","193","10.1021/jo051832o","","","0.71073","MoKα","","0.2173","0.0757","","","0.1437","0.1974","","","","","","0.961","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021357","14.071","0.003","10.969","0.002","16.968","0.003","90","","107.87","0.03","90","","2492.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O S2 -","- C12 H12 N2 O S2 -","- C96 H96 N16 O8 S16 -","8","2","","Akiyuki Hamasaki; Richard Ducray; Dale L. Boger","Two Novel 1,2,4,5-Tetrazines that Participate in Inverse Electron Demand Diels-Alder Reactions with an Unexpected Regioselectivity","Journal of Organic Chemistry","2006","71","","185","193","10.1021/jo051832o","","","0.71073","MoKα","","0.0702","0.0377","","","0.1019","0.1297","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021358","16.084","0.003","4.545","0.0009","19.622","0.004","90","","97.97","0.03","90","","1420.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Br N2 O S2 -","- C12 H11 Br N2 O S2 -","- C48 H44 Br4 N8 O4 S8 -","4","1","","Akiyuki Hamasaki; Richard Ducray; Dale L. Boger","Two Novel 1,2,4,5-Tetrazines that Participate in Inverse Electron Demand Diels-Alder Reactions with an Unexpected Regioselectivity","Journal of Organic Chemistry","2006","71","","185","193","10.1021/jo051832o","","","0.71073","MoKα","","0.0684","0.0521","","","0.111","0.1181","","","","","","1.138","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021359","9.4553","0.0019","12.363","0.003","14.484","0.003","90","","93.16","0.03","90","","1690.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C60 H68 N12 O16 S4 -","4","1","","Akiyuki Hamasaki; Richard Ducray; Dale L. Boger","Two Novel 1,2,4,5-Tetrazines that Participate in Inverse Electron Demand Diels-Alder Reactions with an Unexpected Regioselectivity","Journal of Organic Chemistry","2006","71","","185","193","10.1021/jo051832o","","","0.71073","MoKα","","0.1162","0.0962","","","0.2263","0.2391","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021360","10.9634","0.0007","11.7048","0.0007","22.9688","0.0014","88.899","0.001","89.097","0.001","82.005","0.001","2918","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","N-(3-tert-butylphenyl)anthranilic acid","N-(3-tert-butylphenyl)anthranilic acid","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","4","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0953","0.0577","","","0.1745","0.1964","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021361","10.5769","0.0016","11.4108","0.0017","14.162","0.002","80.856","0.003","82.334","0.003","84.982","0.003","1668.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","anthranilic acid 19","N-[3-(3',5'-dimethylbiphenyl)]anthranilic acid","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","2","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0611","0.04","","","0.097","0.1031","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021362","11.7804","0.0016","7.4503","0.001","26.627","0.003","90","","100.168","0.002","90","","2300.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-2-methylphenylanthranilic acid","N-2-methylphenylanthranilic acid","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0941","0.0483","","","0.1286","0.1409","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021363","7.4585","0.001","7.5891","0.001","13.6653","0.0019","79.998","0.002","85.875","0.002","62.141","0.002","673.42","0.16","183","2","183","2","","","","","","","","4","P -1","-P 1","2","N-2-isopropylphenylanthranilic acid","N-2-isopropylphenylanthranilic acid","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0779","0.0462","","","0.1125","0.1228","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021364","7.4748","0.0012","9.3856","0.0015","11.0319","0.0017","106.582","0.003","91.207","0.003","99.212","0.003","730.4","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","N-(2-tert-butylphenyl)anthranilic acid","N-(2-tert-butylphenyl)anthranilic acid","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C34 H38 N2 O4 -","2","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0626","0.0414","","","0.1002","0.1073","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021365","5.7231","0.0008","17.929","0.002","14.43","0.0019","90","","101.064","0.002","90","","1453.2","0.3","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-2-biphenylanthranilic acid","N-2-biphenylanthranilic acid","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0807","0.0463","","","0.103","0.1127","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021366","4.6299","0.0014","8.332","0.002","15.336","0.004","98.466","0.004","92.198","0.004","101.337","0.004","572.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","N-(3-methylphenyl)anthranilic acid","N-(3-methylphenyl)anthranilic acid","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C28 H26 N2 O4 -","2","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0518","0.038","","","0.1044","0.1107","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021367","10.0907","0.0002","5.1112","0.0002","17.8226","0.0008","90","","99.626","0.002","90","","906.27","0.06","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Arnaud Salaün; Annaïck Favre; Barbara Le Grel; Michel Potel; Philippe Le Grel","Conformation of N^α^-Substituted Hydrazino Acetamides in CDCl~3~, he Precious Help of the Analysis of Δδ between Amidic Hydrogens, and Correlation to the Conformation of Aza-β^3^-peptides","Journal of Organic Chemistry","2006","71","","150","158","10.1021/jo051887q","","x-ray","0.71069","MoKα","","0.0825","0.0553","","","0.1507","0.1692","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021368","10.4776","0.0003","9.7596","0.0003","15.2755","0.0007","90","","100.328","0.001","90","","1536.72","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N3 O3 -","- C14 H21 N3 O3 -","- C56 H84 N12 O12 -","4","1","","Arnaud Salaün; Annaïck Favre; Barbara Le Grel; Michel Potel; Philippe Le Grel","Conformation of N^α^-Substituted Hydrazino Acetamides in CDCl~3~, he Precious Help of the Analysis of Δδ between Amidic Hydrogens, and Correlation to the Conformation of Aza-β^3^-peptides","Journal of Organic Chemistry","2006","71","","150","158","10.1021/jo051887q","","x-ray","0.71069","MoKα","","0.1074","0.0542","","","0.1451","0.175","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021369","31.737","0.002","7.5162","0.0007","8.4847","0.0005","90","","92.053","0.005","90","","2022.7","0.3","298","","298","","","","","","","","Synthesis","3","C 1 c 1","C -2yc","9","","(1R,3aS,4R,6aR)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-ol","","- C22 H26 O7 -","- C22 H26 O7 -","- C88 H104 O28 -","4","1","","Manat Pohmakotr; Attapol Pinsa; Tipwan Mophuang; Patoomratana Tuchinda; Samran Prabpai; Palangpon Kongsaeree; Vichai Reutrakul","General Strategy for Stereoselective Synthesis of 1-Substituted Exo,Endo-2,6-Diaryl-3,7-dioxabicyclo[3.3.0]octanes: Total Synthesis of (±)-Gmelinol","Journal of Organic Chemistry","2006","71","","386","389","10.1021/jo0519110","","x-ray","0.71073","MoKα","","0.0571","0.0506","","","0.1283","0.1347","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021370","24.918","0.0007","11.7246","0.0004","10.9364","0.0003","90","","101.1","0.002","90","","3135.3","0.2","298","","298","","","","","","","","Synthesis","3","P 1 21/c 1","-P 2ybc","14","","(3R,3aS,6R,6aS)-3a-methyl-3,6-diphenyl-tetrahydrofuro[3,4-c]furan-1,4-dione","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","2","","Manat Pohmakotr; Attapol Pinsa; Tipwan Mophuang; Patoomratana Tuchinda; Samran Prabpai; Palangpon Kongsaeree; Vichai Reutrakul","General Strategy for Stereoselective Synthesis of 1-Substituted Exo,Endo-2,6-Diaryl-3,7-dioxabicyclo[3.3.0]octanes: Total Synthesis of (±)-Gmelinol","Journal of Organic Chemistry","2006","71","","386","389","10.1021/jo0519110","","x-ray","0.71073","MoKα","","0.0567","0.0439","","","0.1024","0.112","","","","","","1.073","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021371","6.3437","0.0017","6.455","0.0018","10.061","0.003","90","","98.465","0.004","90","","407.52","0.19","193","2","193","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C14 H26 N2 O8 -","2","0.5","","Cheol-Min Park","Concise Synthesis of 3,7-Dioxa-9-aza-bicyclo[3,3,1]-nonane","Journal of Organic Chemistry","2006","71","","413","415","10.1021/jo051982z","","","0.71073","MoKα","","0.0476","0.0445","","","0.1123","0.1145","","","","","","1.118","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021372","8.1482","0.0004","18.4592","0.0008","12.9869","0.0006","90","","90.621","0.001","90","","1953.24","0.16","87","2","87","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C17 H21 Cl N4 Pd, 0.5 (CH2 Cl2)","","","- C17.5 H22 Cl2 N4 Pd -","- C17.5 H22 Cl2 N4 Pd -","- C70 H88 Cl8 N16 Pd4 -","4","1","","Ruihu Wang; Brendan Twamley; Jean'ne M. Shreeve","A Highly Efficient, Recyclable Catalyst for C-C Coupling Reactions in Ionic Liquids: Pyrazolyl-Functionalized N-Heterocyclic Carbene Complex of Palladium(II)","Journal of Organic Chemistry","2006","71","","426","429","10.1021/jo052098b","","","0.71073","MoKα","","0.0302","0.0293","","","0.0628","0.0633","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021373","12.0701","0.0009","13.9385","0.0011","21.0391","0.0016","90","","90","","90","","3539.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B2 F8 N2 O2 -","- C14 H18 B2 F8 N2 O2 -","- C112 H144 B16 F64 N16 O16 -","8","1","","Dong Zhang; Eric J. Dufek; Edward L. Clennan","Syntheses, Characterizations, and Properties of Electronically Perturbed 1,1'-Dimethyl-2,2'-bipyridinium Tetrafluoroborates","Journal of Organic Chemistry","2006","71","","315","319","10.1021/jo052127i","","","0.71073","MoKα","","0.0747","0.0448","","","0.108","0.1233","","","","","","1.068","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021374","8.7605","0.0006","20.4423","0.0013","21.1253","0.0014","90","","91.634","0.002","90","","3781.7","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H37 N3 O -","- C49 H37 N3 O -","- C196 H148 N12 O4 -","4","1","","Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng","Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems","Journal of Organic Chemistry","2006","71","","456","465","10.1021/jo0512047","","","0.71073","MoKα","","0.1867","0.1262","","","0.3143","0.3473","","","","","","1.183","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021375","25.7376","0.0004","11.1794","0.0002","37.1441","0.0006","90","","90","","90","","10687.5","0.3","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H54 Cl3 N5 O3 -","- C63 H54 Cl3 N5 O3 -","- C504 H432 Cl24 N40 O24 -","8","1","","Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng","Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems","Journal of Organic Chemistry","2006","71","","456","465","10.1021/jo0512047","","","0.71073","MoKα","","0.1212","0.0846","","","0.2534","0.2739","","","","","","1.105","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021376","16.5804","0.0008","34.0887","0.0017","8.9389","0.0004","90","","99.074","0.002","90","","4989.1","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 Cl2 N4 O -","- C62 H48 Cl2 N4 O -","- C248 H192 Cl8 N16 O4 -","4","1","","Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng","Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems","Journal of Organic Chemistry","2006","71","","456","465","10.1021/jo0512047","","","0.71073","MoKα","","0.201","0.1327","","","0.3006","0.3414","","","","","","1.12","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021377","13.7668","0.0001","27.0773","0.0003","20.0217","0.0002","90","","105.051","0.001","90","","7207.41","0.12","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78.5 H70 Cl5 N6 O2 -","- C78.5 H70 Cl5 N6 O2 -","- C314 H280 Cl20 N24 O8 -","4","1","","Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng","Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems","Journal of Organic Chemistry","2006","71","","456","465","10.1021/jo0512047","","","0.71073","MoKα","","0.1169","0.0943","","","0.2759","0.3001","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021378","15.8732","0.0003","13.5038","0.0003","16.9982","0.0003","90","","99.468","0.002","90","","3593.9","0.1","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C180 H144 N24 O12 -","12","3","","Pavel Hradil; Martin Grepl; Jan Hlaváč; Miroslav Soural; Michal Maloň; Valerio Bertolasi","Some New Routes for the Preparation of 3-Amino-2-phenyl- 4(1H)-quinolinones from Anthranilamides","Journal of Organic Chemistry","2006","71","","819","822","10.1021/jo051303k","","","0.71073","MoKα","","0.1226","0.0593","","","0.1364","0.1707","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021379","11.5028","0.0007","11.8189","0.0007","17.361","0.001","103.029","0.001","98.366","0.001","112.792","0.001","2047.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2,5-di-t-butylphenalenium perfluorotetraphenylborate","","- C45 H25 B F20 -","- C45 H25 B F20 -","- C90 H50 B2 F40 -","2","1","","V. Zaitsev; S. V. Rosokha; M. Head-Gordon; J. K. Kochi","Steric Modulations in the Reversible Dimerizations of Phenalenyl Radicals via Unusually Weak Carbon-Centered π- and σ-Bonds","Journal of Organic Chemistry","2006","71","","520","526","10.1021/jo051612a","","","0.71073","MoKα","","0.0976","0.0555","","0.1683","0.1371","","","","1.01","1.101","1.101","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021380","15.4353","0.0012","10.5395","0.0007","21.014","0.002","90","","90","","90","","3418.6","0.4","123","2","123","2","","","","","","","synthesis","2","P b c n","-P 2n 2ab","60","","2,5-ditertbutylphenalene""","","- C21 H26 -","- C21 H25 -","- C168 H200 -","8","1","","V. Zaitsev; S. V. Rosokha; M. Head-Gordon; J. K. Kochi","Steric Modulations in the Reversible Dimerizations of Phenalenyl Radicals via Unusually Weak Carbon-Centered π- and σ-Bonds","Journal of Organic Chemistry","2006","71","","520","526","10.1021/jo051612a","","","0.71073","MoKα","","0.1115","0.0734","","0.2253","0.1872","","","","1.003","1.061","1.061","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021381","14.6171","0.001","15.4337","0.0012","17.8177","0.0014","90","","92.162","0.002","90","","4016.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DBPhen B(C6F5)4","1,5-Di-tert-butyl-phenalenyl tetrakis(pentafluorophenyl)borate","","- C45 H25 B F20 -","- C45 H25 B F20 -","- C180 H100 B4 F80 -","4","1","","V. Zaitsev; S. V. Rosokha; M. Head-Gordon; J. K. Kochi","Steric Modulations in the Reversible Dimerizations of Phenalenyl Radicals via Unusually Weak Carbon-Centered π- and σ-Bonds","Journal of Organic Chemistry","2006","71","","520","526","10.1021/jo051612a","","","0.71073","MoKα","","0.1507","0.0519","","","0.0924","0.1212","","","","","","0.857","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021382","11.9777","0.0009","15.4966","0.0012","11.5901","0.0009","90","","113.023","0.002","90","","1979.9","0.3","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-bis(3,8-di-t-butylphenalen-1-ylidene)etane","","- C46 H54 Cl4 -","- C45.72 H53.44 Cl3.44 -","- C91.44 H106.88 Cl6.88 -","2","0.5","","V. Zaitsev; S. V. Rosokha; M. Head-Gordon; J. K. Kochi","Steric Modulations in the Reversible Dimerizations of Phenalenyl Radicals via Unusually Weak Carbon-Centered π- and σ-Bonds","Journal of Organic Chemistry","2006","71","","520","526","10.1021/jo051612a","","","0.71073","MoKα","","0.2162","0.0879","","0.2747","0.1949","","","","1.017","1.183","1.183","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021383","32.809","0.01","9.945","0.003","8.492","0.003","90","","104.72","0.006","90","","2679.9","1.4","88","2","88","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C52 H78 O11 -","- C52 H78 O11 -","- C104 H156 O22 -","2","0.5","","Maya I. Mitova; Gerhard Lang; John W. Blunt; Nicholas J. Cummings; Anthony L. J. Cole; Ward T. Robinson; Murray H. G. Munro","Cladobotric Acids A-F: New Cytotoxic Polyketides from a New Zealand Cladobotryum sp.","Journal of Organic Chemistry","2006","71","","492","497","10.1021/jo051883l","","","0.71073","MoKα","","0.0907","0.0618","","","0.1501","0.1611","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021384","34.413","0.005","8.5331","0.0012","10.0467","0.0015","90","","90.13","0.02","90","","2950.2","0.8","87","2","87","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H41 Br O4 -","- C33 H41 Br O4 -","- C132 H164 Br4 O16 -","4","2","","Maya I. Mitova; Gerhard Lang; John W. Blunt; Nicholas J. Cummings; Anthony L. J. Cole; Ward T. Robinson; Murray H. G. Munro","Cladobotric Acids A-F: New Cytotoxic Polyketides from a New Zealand Cladobotryum sp.","Journal of Organic Chemistry","2006","71","","492","497","10.1021/jo051883l","","","0.71073","MoKα","","0.0925","0.0861","","","0.2279","0.2331","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021385","16.1127","0.0006","9.9911","0.0006","25.7335","0.0011","90","","96.862","0.003","90","","4113","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C47 H62 O6 -","- C47 H62 O6 -","- C188 H248 O24 -","4","1","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.1165","0.0677","","","0.1656","0.2003","","","","","","0.996","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021386","13.5059","0.0005","20.4824","0.0007","20.9212","0.0009","61.89","0.002","87.258","0.002","89.082","0.002","5098.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49.5 H69 Cl3 O7.5 -","- C49.5 H66.5 Cl3 O7.5 -","- C198 H266 Cl12 O30 -","4","2","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.1165","0.0907","","","0.2398","0.2598","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021387","6.0627","0.0007","11.5013","0.0011","15.322","0.002","89.214","0.007","81.669","0.006","79.155","0.007","1038.1","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H64 O6 -","- C48 H64 O6 -","- C48 H64 O6 -","1","0.5","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.0948","0.0676","","","0.1622","0.1808","","","","","","1.048","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021388","9.7267","0.0017","21.884","0.004","19.784","0.003","90","","93.65","0.009","90","","4202.7","1.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 O6 -","- C48 H64 O6 -","- C192 H256 O24 -","4","1","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.2014","0.0847","","","0.1692","0.2234","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021389","30.6685","0.0018","14.3273","0.0005","23.3049","0.0013","90","","117.988","0.003","90","","9042.5","0.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H68 O6 -","- C50 H68 O6 -","- C400 H544 O48 -","8","1","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.0819","0.0543","","","0.1557","0.1735","","","","","","1.019","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021390","13.5929","0.0012","9.3211","0.0007","17.7157","0.0011","90","","106.728","0.005","90","","2149.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49 H66 O6 -","- C49 H65 O6 -","- C98 H130 O12 -","2","0.5","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.1285","0.0928","","","0.2114","0.2354","","","","","","0.991","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021391","12.3588","0.0013","14.3481","0.0016","7.4226","0.0008","90","","90","","90","","1316.2","0.2","90","2","90","2","","","","","","","","2","P n a 21","P 2c -2n","33","2'-methyl-p-terphenyl","","","- C19 H16 -","- C19 H16 -","- C76 H64 -","4","1","","Michael E. Garst; Lloyd J. Dolby; Shervin Esfandiari; Rachel A. Okrent; Alfred A. Avey","Studies of the Condensation of Sulfones with Ketones and Aldehydes","Journal of Organic Chemistry","2006","71","","553","556","10.1021/jo051947s","","","0.71073","MoKα","","0.0943","0.0658","","","0.1658","0.1879","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021392","19.959","0.003","9.1373","0.0002","12.091","0.002","90","","110.024","0.009","90","","2071.8","0.5","91","2","91","2","","","","","","","","5","C 1 c 1","C -2yc","9","Compound 14","","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C96 H100 N4 O12 S4 -","4","1","","Michael E. Garst; Lloyd J. Dolby; Shervin Esfandiari; Rachel A. Okrent; Alfred A. Avey","Studies of the Condensation of Sulfones with Ketones and Aldehydes","Journal of Organic Chemistry","2006","71","","553","556","10.1021/jo051947s","","","0.71073","MoKα","","0.0399","0.0369","","","0.0935","0.0957","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021393","13.5041","0.0017","6.7097","0.0007","14.271","0.004","90","","109.973","0.014","90","","1215.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium 2,6-dimethylcyclohexanone-2,6-bis(diazeniumdiolate), Compound 15b","","- C8 H12 K2 N4 O5 -","- C8 H12 K2 N4 O5 -","- C32 H48 K8 N16 O20 -","4","1","","Navamoney Arulsamy; D. Scott Bohle","Synthesis of Diazeniumdiolates from the Reactions of Nitric Oxide with Enolates","Journal of Organic Chemistry","2006","71","","572","581","10.1021/jo051998p","","","0.71073","MoKα","","0.0404","0.0335","","","0.0896","0.0958","","","","","","1.078","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021394","9.906","0.007","13.089","0.009","13.69","0.009","102.783","0.014","92.301","0.014","97.012","0.014","1714","2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","2","","Scott E. Denmark; Ramil Y. Baiazitov","Tandem Double-Intramolecular [4+2]/[3+2] Cycloadditions of Nitroalkenes. Studies toward a Total Synthesis of Daphnilactone B: Piperidine Ring Construction","Journal of Organic Chemistry","2006","71","","593","605","10.1021/jo052001l","","","0.71073","MoKα","","0.1292","0.0566","","","0.1314","0.157","","","","","","0.921","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021395","13.878","0.003","5.461","0.003","21.321","0.002","90","","94.71","0.01","90","","1610.6","0.8","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","","Shin-ya Tanaka; Makoto Yasuda; Akio Baba","Practical and Simple Synthesis of Substituted Quinolines by an HCl-DMSO System on a Large Scale: Remarkable Effect of the Chloride Ion","Journal of Organic Chemistry","2006","71","","800","803","10.1021/jo052004y","","","0.7107","MoKα","","","0.0537","","","","0.2393","","","","","","1.542","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021396","13.787","0.0004","13.787","0.0004","41.256","0.0012","90","","90","","90","","7842","0.4","296.1","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","(R)-1-phenylethylammonium_(Sp)-O-ethyl phenylphosphonothioate_water","","","- C16 H24 N O3 P S -","- C16 H22 N O3 P S -","- C256 H352 N16 O48 P16 S16 -","16","2","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.049","","","","0.06","","","","","","0.827","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021397","6.441","0.0004","17.186","0.0013","18.27","0.002","90","","90","","90","","2022.4","0.3","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-(p-ethylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C18 H26 N O2 P S -","- C18 H26 N O2 P S -","- C72 H104 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.054","","","","0.06","","","","","","0.948","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021398","6.276","0.0013","13.692","0.003","23.935","0.009","90","","90","","90","","2056.8","1","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-(p-isopropylphenyl)ethylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C19 H28 N O2 P S -","- C20 H30 N O2 P S -","- C80 H120 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.058","","","","0.094","","","","","","0.836","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021399","6.34","","17.728","","18.437","","90","","90","","90","","2072.24","","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-(p-npronylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C22 H28 N O2 P S -","- C19 H28 N O2 P S -","- C76 H112 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.059","","","","0.089","","","","","","0.875","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021400","12.567","0.0012","6.515","0.0005","12.509","0.002","90","","111.143","0.004","90","","955.2","0.2","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(S)-1-(o-methylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C17 H24 N O3 P S -","- C17 H24 N O3 P S -","- C34 H48 N2 O6 P2 S2 -","2","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.049","","","","0.071","","","","","","0.679","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021401","6.771","0.0002","14.155","0.0006","20.307","0.0012","90","","90","","90","","1946.3","0.2","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-Naphthylethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C20 H24 N O2 P S -","- C20 H24 N O2 P S -","- C80 H96 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.05","","","","0.073","","","","","","0.71","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021402","7.517","0.0003","12.015","0.0007","21.89","0.002","90","","90","","90","","1977","0.2","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(S)-1-phenyl-2-methyl-propylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C18 H26 N O2 P S -","- C18 H26 N O2 P S -","- C72 H104 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.057","","","","0.078","","","","","","0.763","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021403","6.577","0.0005","14.56","0.0012","16.131","0.002","90","","90","","90","","1544.7","0.2","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-sec-butylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C12 H22 N O2 P S -","- C12 H22 N O2 P S -","- C48 H88 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.057","","","","0.083","","","","","","0.788","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021404","6.326","0.0005","15.311","0.002","24.416","0.003","90","","90","","90","","2364.9","0.4","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Rp)-O-ethyl phenylphosphonothioic acid & (1S,2R)-1-amino-1,2-diphenylethanol(ADPE)&H2O","","","- C22 H28 N O4 P S -","- C22 H28 N O4 P S -","- C88 H112 N4 O16 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.049","","","","0.054","","","","","","0.864","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021405","14.149","0.0008","14.149","0.0008","40.65","0.002","90","","90","","90","","8137.9","0.8","296.1","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(S)-1-(p-tolyl)ethylammonium_(Rp)-O-propyl phenylphosphonothioate","","","- C18 H26 N O2 P S -","- C18 H24.5 N O2 P S -","- C288 H392 N16 O32 P16 S16 -","16","2","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.053","","","","0.064","","","","","","1.192","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021406","14.562","0.004","6.387","0.001","21.495","0.009","90","","100.58","0.001","90","","1965.2","1.1","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(R)-1-phenylethylammonium_(Rp)-O-phenyl phenylphosphonothioate","","","- C20 H22 N O2 P S -","- C20 H22 N O2 P S -","- C80 H88 N4 O8 P4 S4 -","4","2","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.044","","","","0.048","","","","","","0.506","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021407","12.819","0.0013","6.417","0.0006","14.091","0.002","90","","112","0","90","","1074.7","0.2","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(S)-1-phenylethylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C20 H22 N O2 P S -","- C20 H22 N O2 P S -","- C40 H44 N2 O4 P2 S2 -","2","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.091","","","","0.122","","","","","","1.193","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021408","12.6406","0.0009","4.1678","0.0003","19.9399","0.0014","90","","98.164","0.001","90","","1039.86","0.13","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H6 O2 S -","- C3 H6 O2 S -","- C24 H48 O16 S8 -","8","2","","Mauricio F. Erben; Roland Boese; Carlos O. Della Védova; Heinz Oberhammer; Helge Willner","Toward an Intimate Understanding of the Structural Properties and Conformational Preference of Oxoesters and Thioesters: Gas and Crystal Structure and Conformational Analysis of Dimethyl Monothiocarbonate, CH~3~OC(O)SCH~3~","Journal of Organic Chemistry","2006","71","","616","622","10.1021/jo052026k","","","0.71073","MoKα","","0.0307","0.0265","","","0.0802","0.0841","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021409","8.006","0.0005","11.195","0.0008","13.082","0.0011","90","","100.242","0.003","90","","1153.82","0.15","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C22 H27 Br N2 O5 -","- C22 H27 Br N2 O5 -","- C44 H54 Br2 N4 O10 -","2","1","","Shoko Yamazaki; Yuko Iwata","Catalytic Enantioselective Friedel-Crafts/Michael Addition Reactions of Indoles to Ethenetricarboxylates","Journal of Organic Chemistry","2006","71","","739","743","10.1021/jo052041p","","","0.71073","MoKα","","0.0542","0.0478","","","0.1279","0.1351","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021410","13.246","0.008","14.373","0.008","22.504","0.01","74.127","0.018","82.513","0.016","87.621","0.019","4086","4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","1,2-oxaphosphetane","","","- C19 H11 F12 O2 P -","- C19 H11 F12 O2 P -","- C152 H88 F96 O16 P8 -","8","4","","Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima","Syntheses, Structures, and Thermolyses of Pentacoordinate 1,2-Oxastibetanes: Potential Intermediates in the Reactions of Stibonium Ylides with Carbonyl Compounds","Journal of Organic Chemistry","2006","71","","659","670","10.1021/jo0520700","","","0.7107","MoKα","","0.082","0.0642","","","0.1377","0.1489","","","","","","1.069","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021411","10.691","0.003","12.257","0.004","19.324","0.007","102.894","0.006","90.004","0.005","91.278","0.005","2467.7","1.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","1,2-oxastibetane","","","- C23 H19 F12 O2 Sb -","- C23 H19 F12 O2 Sb -","- C92 H76 F48 O8 Sb4 -","4","2","","Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima","Syntheses, Structures, and Thermolyses of Pentacoordinate 1,2-Oxastibetanes: Potential Intermediates in the Reactions of Stibonium Ylides with Carbonyl Compounds","Journal of Organic Chemistry","2006","71","","659","670","10.1021/jo0520700","","","0.7107","MoKα","","0.0619","0.0414","","","0.0623","0.0672","","","","","","1.097","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021412","18.148","0.003","9.7367","0.0015","36.418","0.007","90","","98.6","0.008","90","","6362.6","1.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-phenyl-1,2-oxastibetane","","","- C34 H28 F9 O2 Sb -","- C34 H28 F9 O2 Sb -","- C272 H224 F72 O16 Sb8 -","8","1","","Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima","Syntheses, Structures, and Thermolyses of Pentacoordinate 1,2-Oxastibetanes: Potential Intermediates in the Reactions of Stibonium Ylides with Carbonyl Compounds","Journal of Organic Chemistry","2006","71","","659","670","10.1021/jo0520700","","","0.7107","MoKα","","0.1016","0.096","","","0.1779","0.1799","","","","","","1.427","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021413","7.215","0.001","11.234","0.001","14.473","0.001","84.09","0.01","88.61","0.01","87.87","0.01","1165.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","biphenyl","3-methylsulfanyl-biphenyl-4-carboxylic acid","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","2","","Atul Goel; Deepti Verma; Manish Dixit; Resmi Raghunandan; P. R. Maulik","Acetyltrimethylsilane: A Novel Reagent for the Transformation of 2H-Pyran-2-ones to Unsymmetrical Biaryls","Journal of Organic Chemistry","2006","71","","804","807","10.1021/jo052085y","","","0.71073","MoKα","","0.0707","0.0455","","","0.1063","0.1217","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021414","22.661","0.004","14.466","0.0018","13.077","0.006","90","","102.33","0.03","90","","4188","2","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O3 -","- C24 H22 N4 O3 -","- C192 H176 N32 O24 -","8","2","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Chromogenic Oxazines for Cyanide Detection","Journal of Organic Chemistry","2006","71","","744","753","10.1021/jo052096r","","","0.71073","MoKα","","0.1395","0.0639","","","0.1266","0.1492","","","","","","0.942","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021415","8.7976","0.0012","18.011","0.006","15.68","0.004","90","","104.74","0.02","90","","2402.7","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O3 -","- C29 H24 N4 O3 -","- C116 H96 N16 O12 -","4","1","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Chromogenic Oxazines for Cyanide Detection","Journal of Organic Chemistry","2006","71","","744","753","10.1021/jo052096r","","","1.54178","CuKα","","0.0772","0.0601","","","0.1675","0.1806","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021416","9.5783","0.0009","25.749","0.003","16.5586","0.0017","90","","96.163","0.008","90","","4060.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H62 N4 O6 -","- C40 H60 N4 O6 -","- C160 H240 N16 O24 -","4","1","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Chromogenic Oxazines for Cyanide Detection","Journal of Organic Chemistry","2006","71","","744","753","10.1021/jo052096r","","","1.54248","CuKα","","0.1506","0.1029","","","0.1589","0.1791","","","","","","1.282","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021417","7.7629","0.0016","8.5948","0.0017","21.728","0.004","81.54","0.03","85.9","0.03","73.88","0.03","1376.8","0.5","293","2","293","2","","","","","","","synthetic","5","P -1","-P 1","2","[1,5]benzothiazepine-derived beta-lactam derivative","[1,5]benzothiazepine-derived beta-lactam derivative","","- C32 H27 N O3 S2 -","- C32 H27 N O3 S2 -","- C64 H54 N2 O6 S4 -","2","1","","Lei Jiao; Qianfeng Zhang; Yong Liang; Shiwei Zhang; Jiaxi Xu","A Versatile Method for the Synthesis of 3-Alkoxycarbonyl β-Lactam Derivatives","Journal of Organic Chemistry","2006","71","","815","818","10.1021/jo052135z","","x-ray","0.71073","MoKα","","0.0645","0.0415","","","0.1022","0.1116","","","","","","0.971","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4021418","11.3847","0.0013","12.0263","0.0013","19.227","0.002","90","","97.452","0.002","90","","2610.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cr O7 S4 -","- C21 H20 Cr O7 S4 -","- C84 H80 Cr4 O28 S16 -","4","1","","Alejandro M. Granados; Jeronimo Kreiker; Rita H. de Rossi; Pedro Fuertes; Tomás Torroba","Synthesis of 1,3-Dithiin Dithioortho Esters from the Reaction of Fischer Carbenes and 3H-1,2-Dithiole-3-thiones","Journal of Organic Chemistry","2006","71","","808","810","10.1021/jo052168e","","","0.71073","MoKα","","0.0566","0.0425","","","0.1202","0.1322","","","","","","1.145","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021419","10.1366","0.0007","13.4877","0.0009","13.652","0.001","104.656","0.001","90.456","0.001","102.913","0.001","1756","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O2 S5 -","- C16 H13 N O2 S5 -","- C64 H52 N4 O8 S20 -","4","2","","Alejandro M. Granados; Jeronimo Kreiker; Rita H. de Rossi; Pedro Fuertes; Tomás Torroba","Synthesis of 1,3-Dithiin Dithioortho Esters from the Reaction of Fischer Carbenes and 3H-1,2-Dithiole-3-thiones","Journal of Organic Chemistry","2006","71","","808","810","10.1021/jo052168e","","","0.71073","MoKα","","0.0531","0.0414","","","0.1109","0.1271","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021420","10.4497","0.0015","12.7182","0.0018","15.18","0.002","66.129","0.002","84.317","0.002","74.029","0.002","1773.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H36 N4 O2 -","- C48 H36 N4 O2 -","- C96 H72 N8 O4 -","2","1","","Wenchao Qu; Tang Ding; Anil Cetin; John D. Harvey; Michael J. Taschner; Christopher J. Ziegler","Facile Peripheral Modification of N-Confused Porphyrin","Journal of Organic Chemistry","2006","71","","811","814","10.1021/jo052188g","","","0.71073","MoKα","","0.0733","0.0565","","","0.1658","0.175","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021421","13.029","0.004","13.734","0.004","13.913","0.004","77.699","0.004","79.722","0.004","67.39","0.004","2232.5","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H55 Co N5 O2 -","- C53 H39 Co N5 O2 -","- C106 H78 Co2 N10 O4 -","2","1","","Wenchao Qu; Tang Ding; Anil Cetin; John D. Harvey; Michael J. Taschner; Christopher J. Ziegler","Facile Peripheral Modification of N-Confused Porphyrin","Journal of Organic Chemistry","2006","71","","811","814","10.1021/jo052188g","","","0.71073","MoKα","","0.1643","0.0988","","","0.2454","0.2793","","","","","","0.964","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021422","12.825","0.004","13.091","0.004","20.892","0.005","106.189","0.009","102.618","0.009","93.606","0.008","3258.3","1.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C65.4 H76.1 N10.7 O12 -","- C65.4 H76.1 N10.7 O12 -","- C130.8 H152.2 N21.4 O24 -","2","1","","Marc Sauer; Charles Yeung; Jonathan H. Chong; Brian O. Patrick; Mark J. MacLachlan","N-Salicylideneanilines: Tautomers for Formation of Hydrogen-Bonded Capsules, Clefts, and Chains","Journal of Organic Chemistry","2006","71","","775","788","10.1021/jo052277t","","","0.71073","MoKα","","0.2421","0.1353","","","0.3417","0.3923","","","","","","1.165","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021423","9.055","0.005","12.712","0.005","16.439","0.005","84.358","0.005","85.019","0.005","89.982","0.005","1875.9","1.4","173","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 Cl3 N4 O6 -","- C39 H38 Cl3 N4 O6 -","- C78 H76 Cl6 N8 O12 -","2","1","","Marc Sauer; Charles Yeung; Jonathan H. Chong; Brian O. Patrick; Mark J. MacLachlan","N-Salicylideneanilines: Tautomers for Formation of Hydrogen-Bonded Capsules, Clefts, and Chains","Journal of Organic Chemistry","2006","71","","775","788","10.1021/jo052277t","","","0.71069","MoKα","","0.0806","0.0522","","","0.1257","0.1409","","","","","","1.033","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021424","6.1725","0.0007","8.6279","0.0017","18.2294","0.0022","90","","95.813","0.009","90","","965.83","0.25","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O6 -","- C20 H19 N3 O6 -","- C40 H38 N6 O12 -","2","1","","Shun-Yuan Luo; Suvarn S. Kulkarni; Chien-Hung Chou; Wei-Meen Liao; Shang-Cheng Hung","A Concise Synthesis of Tetrahydroxy-LCB, α-Galactosyl Ceramide, and 1,4-Dideoxy-1,4-imino-L-ribitol via D-Allosamines as Key Building Blocks","Journal of Organic Chemistry","2006","71","","1226","1229","10.1021/jo051518u","","","0.7093","MolybdenumKα","","0.076","0.034","","0.038","0.034","","","","","1.26","1.26","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021425","6.5285","0.0008","10.708","0.0014","16.894","0.002","101.409","0.002","100.481","0.002","94.819","0.002","1129.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H38 O2 Si -","- C25 H38 O2 Si -","- C50 H76 O4 Si2 -","2","1","","Howard E. Zimmerman; Jie Cheng","Control of Stereoselective Protonation of Enols","Journal of Organic Chemistry","2006","71","","873","882","10.1021/jo051611i","","","0.71073","MoKα","","0.0559","0.0459","","","0.1202","0.1328","","","","","","1.037","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021426","8.5613","0.0002","15.6149","0.0004","12.0541","0.0003","90","","92.2023","0.0015","90","","1610.25","0.07","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","Dibutyl[5,10-dihydro-1,9-bis(phenylsulfonyl)-5-phenyldipyrrinato]tin(IV)","Dibutyl[5,10-dihydro-1,9-bis(phenylsulfonyl)-5-phenyldipyrrinato]tin(IV)","","- C35 H38 N2 O4 S2 Sn -","- C35 H38 N2 O4 S2 Sn -","- C70 H76 N4 O8 S4 Sn2 -","2","1","","Patchanita Thamyongkit; Anil D. Bhise; Masahiko Taniguchi; Jonathan S. Lindsey","Alkylthio Unit as an α-Pyrrole Protecting Group for Use in Dipyrromethane Synthesis","Journal of Organic Chemistry","2006","71","","903","910","10.1021/jo051806q","","","0.71073","MolybdenumKα","","0.039","0.03","","0.034","0.025","","","","","1.03","1.03","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021427","18.6014","0.0008","19.2511","0.0009","10.3718","0.0005","90","","90","","90","","3714.1","0.3","273","2","273","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- C43 H53 O6 -","- C43 H53 O6 -","- C172 H212 O24 -","4","1","","Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang","Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation","Journal of Organic Chemistry","2006","71","","940","946","10.1021/jo051896z","","","0.71073","MoKα","","0.075","0.0627","","","0.1724","0.1911","","","","","","1.022","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021428","12.5115","0.0011","14.6376","0.0012","24.26","0.002","89.413","0.002","80.832","0.002","87.561","0.002","4382.1","0.6","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H63 Ag7 Cl3 F21 O20 -","- C79 H63 Ag7 Cl3 F21 O20 -","- C158 H126 Ag14 Cl6 F42 O40 -","2","1","","Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang","Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation","Journal of Organic Chemistry","2006","71","","940","946","10.1021/jo051896z","","","0.71073","MoKα","","0.1658","0.0616","","","0.1345","0.1821","","","","","","0.915","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021429","19.45","0.006","25.18","0.008","20.114","0.006","90","","100.102","0.007","90","","9698","5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C92 H92 Ag6 F18 O24 -","- C92 H92 Ag6 F18 O24 -","- C368 H368 Ag24 F72 O96 -","4","1","","Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang","Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation","Journal of Organic Chemistry","2006","71","","940","946","10.1021/jo051896z","","","0.71073","MoKα","","0.1134","0.0538","","","0.1377","0.168","","","","","","1.018","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021430","8.268","0.001","22.444","0.003","9.7559","0.0006","89.994","0.004","99.071","0.005","90.032","0.002","1787.7","0.3","150.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 N2 O8 -","- C36 H50 N2 O8 -","- C72 H100 N4 O16 -","2","1","","Tsutomu Inokuchi; Hiroyuki Kawafuchi","E- or Z-Selective Knoevenagel Condensation of Acetoacetic Derivatives: Effect of Acylated Substituent, that is, TEMPO and Amines, as an Auxiliary, and New Accesses to Trisubstituted E- and Z-2-Alkenals and Furans","Journal of Organic Chemistry","2006","71","","947","953","10.1021/jo051952w","","","0.7107","MoKα","","","0.0895","","","","0.2663","","","","","","4.331","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021431","25.122","0.003","12.103","0.002","33.724","0.005","90","","102.191","0.004","90","","10023","3","110","","110","","","","","","","","local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C105 H67 Cl15 N12 O13 -","- C105 H60 Cl15 N12 O13 -","- C420 H240 Cl60 N48 O52 -","4","1","","Erhong Hao; Frank R. Fronczek; M. Graça H. Vicente","Synthesis of Oxacalixarene-Locked Bisporphyrins and Higher Oligomers","Journal of Organic Chemistry","2006","71","","1233","1236","10.1021/jo051964h","","","0.71073","MoKα","","0.177","0.135","","","0.359","0.378","","","","","","2.544","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021432","13.334","0.007","16.27","0.008","26.055","0.013","99.242","0.009","99.572","0.009","99.647","0.009","5391","5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H121 Cl12 N13 O14 P4 -","- C70 H121 Cl12 N13 O14 P4 -","- C140 H242 Cl24 N26 O28 P8 -","2","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.2299","0.0926","","","0.2381","0.2981","","","","","","0.913","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021433","13.6582","0.0012","10.5579","0.0009","20.5262","0.0018","90","","93.168","0.001","90","","2955.4","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H48 N6 O4 P2 -","- C22 H48 N6 O4 P2 -","- C88 H192 N24 O16 P8 -","4","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.0433","0.0379","","","0.104","0.1104","","","","","","1.027","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021434","18.2506","0.0018","9.7929","0.0016","18.982","0.002","90","","109.54","0.04","90","","3197.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 Cl F3 N5 O5 P2 -","- C22 H45 Cl F3 N5 O5 P2 -","- C88 H180 Cl4 F12 N20 O20 P8 -","4","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.0677","0.0475","","","0.1361","0.1525","","","","","","1.04","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021435","9.636","0.002","16.662","0.004","26.283","0.002","90","","90","","90","","4220","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 Cl5 N5 O6 P2 -","- C32 H50 Cl5 N5 O6 P2 -","- C128 H200 Cl20 N20 O24 P8 -","4","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.0526","0.0415","","","0.1094","0.1337","","","","","","1.073","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021436","15.035","0.003","15.151","0.003","19.568","0.004","107.692","0.003","107.43","0.003","94.971","0.003","3973.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H116 N12 O12 P4 -","- C62 H116 N12 O12 P4 -","- C124 H232 N24 O24 P8 -","2","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.0867","0.0586","","","0.1748","0.1966","","","","","","1.01","","","","has coordinates,has disorder","178392","2020-10-21","18:00:00",""
"4021437","6.985","0.007","23","0.02","9.252","0.009","90","","108.404","0.014","90","","1411","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C64 H48 Br4 N4 O12 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.0809","0.0435","","","0.0835","0.0912","","","","","","0.906","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021438","6.1683","0.0009","8.3056","0.0012","12.5311","0.0017","88.535","0.002","78.534","0.002","87.202","0.002","628.34","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Br N2 O -","- C15 H9 Br N2 O -","- C30 H18 Br2 N4 O2 -","2","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.041","0.0375","","","0.0932","0.0943","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021439","9.1772","0.001","39.584","0.004","7.1107","0.0008","90","","92.663","0.002","90","","2580.3","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H19 Br Cl3 N3 O4 -","- C26 H19 Br Cl3 N3 O4 -","- C104 H76 Br4 Cl12 N12 O16 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.0341","0.0315","","","0.074","0.0751","","","","","","1.036","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021440","15.625","0.013","11.062","0.009","10.915","0.009","90","","96.137","0.013","90","","1876","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Br N3 -","- C23 H18 Br N3 -","- C92 H72 Br4 N12 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.1683","0.0825","","","0.1567","0.1858","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021441","17.428","0.002","5.5538","0.0007","19.492","0.003","90","","90","","90","","1886.6","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H16 Br N3 O2 -","- C23 H16 Br N3 O2 -","- C92 H64 Br4 N12 O8 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.043","0.0372","","","0.0844","0.0878","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021442","15.4467","0.0018","11.1272","0.0013","10.5033","0.0013","90","","94.085","0.002","90","","1800.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br N3 -","- C22 H15 Br N3 -","- C88 H60 Br4 N12 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.0571","0.0399","","","0.0953","0.1027","","","","","","1.035","","","","has coordinates,has disorder","178392","2020-10-21","18:00:00",""
"4021443","18.873","0.002","12.336","0.001","6.7665","0.0007","90","","90","","90","","1575.4","0.3","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","8-styrylfluoranthrene","","- C24 H16 -","- C24 H16 -","- C96 H64 -","4","1","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.0405","0.0367","","","0.0901","0.0925","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021444","10.822","0.002","15.188","0.002","10.316","0.002","90","","110.95","0.03","90","","1583.6","0.5","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 -","- C24 H16 -","- C96 H64 -","4","1","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.0926","0.0442","","","0.0852","0.0962","","","","","","0.825","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021445","8.09","0.001","15.095","0.002","26.844","0.004","90","","90","","90","","3278.2","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(2-pyren-1-yl-vinyl)benzonitrile","","- C25 H15 N -","- C25 H15 N -","- C200 H120 N8 -","8","1","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.0666","0.0457","","","0.1058","0.1163","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021446","20.673","0.002","10.939","0.001","7.5738","0.0008","90","","90","","90","","1712.8","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","p-nitrostyrylpyrene","1-[2-(4-nitrophenyl)vinyl]pyrene","","- C24 H15 N O2 -","- C24 H15 N O2 -","- C96 H60 N4 O8 -","4","1","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.0541","0.0408","","","0.0931","0.0995","","","","","","1.041","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021447","9.594","0.003","18.68","0.006","19.237","0.006","117.294","0.004","100.954","0.004","93.956","0.004","2959.2","1.6","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","Cis-1,2-bis(azulen-2-yl)ethene","","- C22 H16 -","- C22 H16 -","- C176 H128 -","8","4","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.1641","0.0778","","","0.1697","0.2097","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021448","11.079","0.001","11.079","0.002","9.666","0.001","90","","90","","120","","1027.5","0.2","293","2","293","2","","","","","","","synthesised by authors","5","P 32","P 32","145","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C39 H51 N3 O6 S3 -","3","1","","Anna Arefalk; Johan Wannberg; Mats Larhed; Anders Hallberg","Stereoselective Synthesis of 3-Aminoindan-1-ones and Subsequent Incorporation into HIV-1 Protease Inhibitors","Journal of Organic Chemistry","2006","71","","1265","1268","10.1021/jo0521504","","","0.71073","MoKα","","0.1477","0.0974","","","0.1631","0.1995","","","","","","0.781","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021449","11.08","0.002","11.08","0.001","9.6707","0.0011","90","","90","","120","","1028.2","0.2","293","1","","","","","","","","","synthesised by authors","5","P 31","P 31","144","","3-t-Butylsulfinamyl-1-indanone","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C39 H51 N3 O6 S3 -","3","1","","Anna Arefalk; Johan Wannberg; Mats Larhed; Anders Hallberg","Stereoselective Synthesis of 3-Aminoindan-1-ones and Subsequent Incorporation into HIV-1 Protease Inhibitors","Journal of Organic Chemistry","2006","71","","1265","1268","10.1021/jo0521504","","","0.71073","MoKα","","0.1411","0.0961","","","0.1897","0.2158","","","","","","1.067","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021450","10.601","0.004","26.402","0.009","15.586","0.006","90","","93.145","0.006","90","","4356","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H127 N2 O53.5 -","- C62 H94 N2 O53.5 -","- C124 H188 N4 O107 -","2","1","","Zhi Fan; Chun-Hua Diao; Hai-Bin Song; Zuo-Liang Jing; Ming Yu; Xin Chen; Min-Jie Guo","Encapsulation of Quinine by β-Cyclodextrin: Excellent Model for Mimicking Enzyme-Substrate Interactions","Journal of Organic Chemistry","2006","71","","1244","1246","10.1021/jo052183j","","","0.71073","MoKα","","0.116","0.0715","","","0.1745","0.2075","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021451","15.6855","0.0014","8.4155","0.0008","14.3404","0.0013","90","","93.234","0.002","90","","1889.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 Cl2 N3 O4 -","- C21 H13 Cl2 N3 O4 -","- C84 H52 Cl8 N12 O16 -","4","1","","Lei Zhao; Fushun Liang; Xihe Bi; Shaoguang Sun; Qun Liu","Efficient Synthesis of Highly Functionalized Dihydropyrido[2,3-d]pyrimidines by a Double Annulation Strategy from α-Alkenoyl-α-carbamoyl Ketene-(S,S)-acetals","Journal of Organic Chemistry","2006","71","","1094","1098","10.1021/jo0522106","","","0.71073","MoKα","","0.0698","0.051","","","0.1352","0.1499","","","","","","0.942","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021452","14.02","0.005","15.153","0.005","16.128","0.006","110.655","0.006","92.14","0.006","104.819","0.006","3068.5","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C64.5 H72 N8 O10.5 -","- C64.5 H72 N8 O10.5 -","- C129 H144 N16 O21 -","2","1","","Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen","Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol","Journal of Organic Chemistry","2006","71","","1131","1138","10.1021/jo052222r","","","0.71073","MoKα","","0.1756","0.0742","","","0.206","0.2777","","","","","","0.994","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021453","15.446","0.003","18.167","0.004","21.565","0.004","81.08","0.03","82.77","0.03","82.46","0.03","5892","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H118 N16 O20 -","- C118 H118 N16 O20 -","- C236 H236 N32 O40 -","2","1","","Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen","Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol","Journal of Organic Chemistry","2006","71","","1131","1138","10.1021/jo052222r","","","0.71073","MoKα","","0.3453","0.1259","","","0.2667","0.332","","","","","","1.092","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021454","19.598","0.004","15.696","0.003","24.508","0.005","90","","100.17","0.03","90","","7421","3","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C154 H178 N20 O28 -","- C154 H178 N20 O28 -","- C308 H356 N40 O56 -","2","0.5","","Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen","Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol","Journal of Organic Chemistry","2006","71","","1131","1138","10.1021/jo052222r","","","0.71073","MoKα","","0.3212","0.1859","","","0.4474","0.4905","","","","","","1.092","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021455","14.224","0.003","15.299","0.004","17.295","0.004","97.973","0.004","104.545","0.004","117.658","0.004","3080.1","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H68 N9 O9.25 -","- C63.25 H67 N9 O9.25 -","- C126.5 H134 N18 O18.5 -","2","1","","Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen","Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol","Journal of Organic Chemistry","2006","71","","1131","1138","10.1021/jo052222r","","","0.71073","MoKα","","0.2184","0.0949","","","0.2372","0.315","","","","","","1.022","","","","has coordinates,has disorder","178392","2020-10-21","18:00:00",""
"4021456","7.2","0.0011","8.009","0.0016","11.122","0.0019","88.642","0.007","100.505","0.01","105.62","0.012","607.09","0.18","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","(1R*, 5R*)-7,7-diethylnyl-5-hydroxymethyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H14 O4 -","- C13 H14 O4 -","- C26 H28 O8 -","2","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0515","0.0485","","","0.129","0.1378","","","","","","1.025","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021457","7.686","0.003","7.823","0.002","12.384","0.002","108.9","0.014","89.388","0.016","108.722","0.013","663.6","0.3","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","(1R*, 5R*, 7S*)-7-ethyl-5-hydroxymethyl-7-vinyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H14 O4 -","- C13 H20 O4 -","- C26 H40 O8 -","2","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.1063","0.1026","","","0.2394","0.2417","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021458","8.931","0.0012","14.491","0.003","12.03","0.0013","90","","128.818","0.007","90","","1213.1","0.3","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R*, 5R*)-7,7-divinyl-5-hydroxymethyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0607","0.0521","","","0.1296","0.1362","","","","","","1.085","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021459","8.085","0.0004","7.474","0.0003","21.798","0.0011","90","","91.113","0.003","90","","1316.95","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1R*, 5R*)-7,7-diethylnyl-5-iodomethyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H13 I O3 -","- C13 H13 I O3 -","- C52 H52 I4 O12 -","4","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.088","0.077","","","0.2018","0.216","","","","","","1.08","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021460","8.422","0.002","12.714","0.002","13.419","0.004","90","","100.566","0.015","90","","1412.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1R*, 5R*, 7S*)-7-ethyl-5-iodomethyl-7-vinyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H19 I O3 -","- C13 H19 I O3 -","- C52 H76 I4 O12 -","4","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0563","0.0472","","","0.1218","0.1286","","","","","","0.989","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021461","7.639","0.0004","8.035","0.0009","16.499","0.0016","89.13","0.005","89.221","0.005","80.184","0.006","997.7","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(1R*, 5R*, 7S*)-7-(m-chlorobenzoyloxymethyl)-7-ethyl-5- hydroxymethyl-6-oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C20 H25 Cl O6 -","- C20 H25 Cl O6 -","- C40 H50 Cl2 O12 -","2","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0954","0.0784","","","0.1768","0.1956","","","","","","1.083","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021462","8.495","0.0002","9.715","0.0003","9.99","0.0004","81.011","0.001","76.269","0.001","80.257","0.002","783.53","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(1R*, 3S*)-3-acetoxymethyl-1-(1-S-ethyl-oxiranyl)-3- hydroxy-cyclohexanecarboxylic acid methyl ester","","- C15 H24 O6 -","- C15 H24 O6 -","- C30 H48 O12 -","2","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0852","0.0692","","","0.1714","0.1997","","","","","","1.042","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021463","9.408","0.0003","10.167","0.0003","13.393","0.0004","90","","106.535","0.001","90","","1228.08","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4R*, 5R*, 7S*)-4-ethyl-4,7-dihidroxy-7- hydroxymethyl-2-oxa-spiro[4.5]decan-1-one","","- C12 H20 O5 -","- C12 H20 O5 -","- C48 H80 O20 -","4","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0844","0.0579","","","0.154","0.1862","","","","","","1.06","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021464","7.0506","0.0012","11.0911","0.0019","25.228","0.005","90","","90","","90","","1972.8","0.6","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Gary A. Molander; Barbara Czakó; David J. St. Jean, Jr.","A General Route toward the Synthesis of the Cladiellin Skeleton Utilizing a SmI~2~-Mediated Cyclization","Journal of Organic Chemistry","2006","71","","1172","1180","10.1021/jo052290d","","","0.71069","MoKα","","0.0716","0.0357","","","0.0666","0.0782","","","","","","0.791","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021465","9.9999","0.0004","7.6682","0.0003","14.1917","0.0005","90","","90","","90","","1088.24","0.07","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","C3H7N5","","","- C3 H7 N5 -","- C3 H7 N5 -","- C24 H56 N40 -","8","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0861","0.0522","","","0.1282","0.1477","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021466","6.0853","0.0002","8.1184","0.0003","11.6028","0.0004","90","","99.6469","0.0015","90","","565.11","0.03","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 N6 O -","- C3 H4 N6 O -","- C12 H16 N24 O4 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0505","0.0431","","","0.1102","0.117","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021467","5.9553","0.0004","13.2837","0.001","17.4438","0.0015","90","","90","","90","","1379.95","0.18","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O2 -","- C3 H6 N6 O2 -","- C24 H48 N48 O16 -","8","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0735","0.0411","","","0.0862","0.0943","","","","","","0.878","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021468","8.6094","0.001","12.5135","0.0009","10.5791","0.0012","90","","106.896","0.013","90","","1090.53","0.19","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H14 N6 O2 -","- C7 H14 N6 O2 -","- C28 H56 N24 O8 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0837","0.0419","","","0.0873","0.0976","","","","","","0.877","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021469","7.4471","0.0009","6.81","0.0006","10.2003","0.0011","90","","110.613","0.009","90","","484.19","0.09","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,6-Dihydro-7H-imidazolo[1,2-d]tetrazole","","- C3 H5 N5 -","- C3 H5 N5 -","- C12 H20 N20 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0417","0.0357","","","0.0955","0.1023","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021470","14.045","0.002","5.7882","0.0018","8.231","0.002","90","","102.285","0.019","90","","653.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N6 O -","- C3 H6 N6 O -","- C12 H24 N24 O4 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0566","0.0419","","","0.11","0.1221","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021471","6.2083","0.0008","8.6833","0.0014","11.651","0.002","90","","102.308","0.013","90","","613.65","0.18","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 N6 O2 -","- C3 H4 N6 O2 -","- C12 H16 N24 O8 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0711","0.0524","","","0.1252","0.1384","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021472","9.408","0.0002","10.125","0.0002","14.0952","0.0003","90","","90","","90","","1342.65","0.05","173","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 N2 O5 S -","- C10 H18 N2 O5 S -","- C40 H72 N8 O20 S4 -","4","1","","Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez-Osés; Jesús M. Peregrina","S~N~2 Reaction of Sulfur Nucleophiles with Hindered Sulfamidates: Enantioselective Synthesis of α-Methylisocysteine","Journal of Organic Chemistry","2006","71","","1692","1695","10.1021/jo051632c","","","0.71073","MoKα","","0.0415","0.036","","","0.0928","0.0957","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021473","15.104","0.0004","6.16","0.0002","16.064","0.0005","90","","117.063","0.001","90","","1330.96","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H30 N2 O5 S2 -","- C27 H30 N2 O5 S2 -","- C54 H60 N4 O10 S4 -","2","1","","Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez-Osés; Jesús M. Peregrina","S~N~2 Reaction of Sulfur Nucleophiles with Hindered Sulfamidates: Enantioselective Synthesis of α-Methylisocysteine","Journal of Organic Chemistry","2006","71","","1692","1695","10.1021/jo051632c","","","0.71073","MoKα","","0.0865","0.0551","","","0.1245","0.1416","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021474","9.5204","0.0006","10.3261","0.0007","15.3043","0.001","90","","101.783","0.001","90","","1472.84","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 Br S3 -","- C13 H21 Br S3 -","- C52 H84 Br4 S12 -","4","1","","Toshikazu Kitagawa; Yuichi Idomoto; Hiroaki Matsubara; Daisuke Hobara; Takashi Kakiuchi; Takao Okazaki; Koichi Komatsu","Rigid Molecular Tripod with an Adamantane Framework and Thiol Legs. Synthesis and Observation of an Ordered Monolayer on Au(111)","Journal of Organic Chemistry","2006","71","","1362","1369","10.1021/jo051863j","","","0.71073","MoKα","","0.0301","0.027","","","0.0738","0.0749","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021475","9.6218","0.0002","28.36","0.001","11.5099","0.0004","90","","107.566","0.002","90","","2994.3","0.2","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 N7 O2 S2 -","- C27 H37 N7 O2 S2 -","- C108 H148 N28 O8 S8 -","4","1","","Martin Walther; Kurt Wermann; Marion Lutsche; Wolfgang Günther; Helmar Görls; Ernst Anders","Synthesis of Azolyl Carboximidamides as Ligands for Zn(II) and Cu(II): Application of the Zn(II) Complexes as Catalysts for the Copolymerization of Carbon Dioxide and Epoxides","Journal of Organic Chemistry","2006","71","","1399","1406","10.1021/jo052056n","","","0.71073","MoKα","","0.1551","0.0881","","","0.2045","0.2362","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021476","12.837","0.002","22.303","0.002","13.85","0.001","90","","90","","90","","3965.3","0.8","183","2","183","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H48 Cu N8 O5 S2 -","- C34 H48 Cu N9 O6 S2 -","- C136 H192 Cu4 N36 O24 S8 -","4","1","","Martin Walther; Kurt Wermann; Marion Lutsche; Wolfgang Günther; Helmar Görls; Ernst Anders","Synthesis of Azolyl Carboximidamides as Ligands for Zn(II) and Cu(II): Application of the Zn(II) Complexes as Catalysts for the Copolymerization of Carbon Dioxide and Epoxides","Journal of Organic Chemistry","2006","71","","1399","1406","10.1021/jo052056n","","","0.71073","MoKα","","0.054","0.0357","","","0.0916","0.0992","","","","","","1.03","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4021477","6.2686","0.0009","8.196","0.001","6.084","0.002","111.81","0.01","101.01","0.02","110.62","0.01","252.3","0.08","298.2","","298","","","","","","","","","4","P 1","P 1","1","","","","- C10 H17 N O -","- C10 H17 N O -","- C10 H17 N O -","1","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0369","","","","0.0527","","","","","","1.429","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021478","7.489","0.002","13.794","0.003","6.046","0.003","92.8","0.03","104.72","0.03","87.6","0.02","603","0.3","294","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H21 N O -","- C12 H21 N O -","- C24 H42 N2 O2 -","2","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0821","","","","0.1108","","","","","","2.24","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4021479","15.645","0.005","15.428","0.002","11.384","0.003","90","","90","","90","","2747","1","294.2","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N O -","- C15 H19 N O -","- C120 H152 N8 O8 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0528","","","","0.0561","","","","","","1.478","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021480","7.605","0.002","13.704","0.003","6.018","0.002","95.95","0.02","105.14","0.02","83.64","0.02","599.8","0.3","294","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 N O -","- C12 H19 N O -","- C24 H38 N2 O2 -","2","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0681","","","","0.0848","","","","","","1.885","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4021481","16.852","0.005","18.09","0.005","9.068","0.003","90","","90","","90","","2764","2","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O -","- C16 H21 N O -","- C128 H168 N8 O8 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0513","","","","0.0579","","","","","","1.484","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021482","15.422","0.005","16.648","0.006","6.804","0.003","90","","90","","90","","1747","1","298","","298.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0457","","","","0.0487","","","","","","1.439","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021483","16.3285","0.0002","13.5208","0.0002","13.9382","0.0002","90","","99.738","0.001","90","","3032.86","0.07","273","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1R,2R,3S)-1-cyano-3-hydroxy-2,3-dimethyl-N-phenylcyclohexanecarboxamide","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C128 H160 N16 O16 -","8","2","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.71073","MoKα","","0.0873","0.0447","","","0.0912","0.1053","","","","","","0.96","","","","has coordinates,has disorder","193989","2020-10-21","18:00:00",""
"4021484","10.085","0.003","18.828","0.005","7.563","0.002","98.64","0.02","103.16","0.02","87.8","0.02","1382.5","0.6","294","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","2","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0525","","","","0.0644","","","","","","1.572","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4021485","6.917","0.002","20.548","0.008","8.673","0.003","90","","104.45","0.03","90","","1193.6","0.8","294.2","","294.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C48 H84 N4 O8 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0413","","","","0.0562","","","","","","1.267","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021486","21.761","0.004","7.581","0.002","7.508","0.001","90","","98.84","0.01","90","","1223.9","0.4","294","","294.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N O2 -","- C13 H21 N O2 -","- C52 H84 N4 O8 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0462","","","","0.0596","","","","","","1.504","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021487","19.047","0.004","16.454","0.004","12.525","0.004","90","","90","","90","","3925","3","294.2","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C184 H184 N8 O24 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0888","","","","0.1193","","","","","","2.168","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021488","7.647","0.002","12.894","0.005","7.616","0.004","93.83","0.04","96.96","0.03","105.74","0.02","713.6","0.5","29","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C26 H38 N2 O10 -","2","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0571","","","","0.0615","","","","","","1.353","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4021489","6.0211","0.0004","29.3871","0.0018","7.4673","0.0004","90","","104.203","0.002","90","","1280.9","0.13","296","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1R,2R,3S)-1-(cyclopropylmethyl)-2,3- dimethylyclohexanecarbonitrile","","- C13 H21 N O -","- C13 H21 N O -","- C52 H84 N4 O4 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.71073","MoKα","","0.0782","0.0451","","","0.1156","0.1287","","","","","","1.053","","","","has coordinates","193990","2020-10-21","18:00:00",""
"4021490","7.5391","0.0009","14.678","0.002","6.046","0.001","90.52","0.01","105.22","0.01","91.55","0.01","645.2","0.2","294.2","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 N O -","- C13 H21 N O -","- C26 H42 N2 O2 -","2","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0545","","","","0.0687","","","","","","1.694","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021491","13.932","0.003","16.279","0.003","18.937","0.004","90","","90","","90","","4295","1.5","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1R,3S,6S,9R)-3-Iodo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3S,6S,9R)-3-Iodo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 I O -","- C13 H23 I O -","- C156 H276 I12 O12 -","12","3","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0339","0.0242","","","0.0427","0.0449","","","","","","1.017","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021492","13.658","0.004","16.12","0.004","18.84","0.005","90","","90","","90","","4148","1.9","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1R,3S,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3S,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Br O -","- C13 H23 Br O -","- C156 H276 Br12 O12 -","12","3","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0945","0.0371","","","0.0666","0.0791","","","","","","0.904","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021493","16.422","0.0003","16.422","0.0003","7.6968","0.0003","90","","90","","90","","2075.69","0.1","193","2","193","2","","","","","","","synthesis","4","I -4","I -4","82","(1S*,3S*)-3-Bromo-1,5,5-trimethylcyclohexanol","(1S*,3S*)-3-Bromo-1,5,5-trimethylcyclohexanol","","- C9 H17 Br O -","- C9 H17 Br O -","- C72 H136 Br8 O8 -","8","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0318","0.0278","","","0.071","0.0728","","","","","","1.038","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021494","16.4301","0.0004","16.4301","0.0004","8.272","0.0005","90","","90","","90","","2233.01","0.16","193","2","193","2","","","","","","","synthesis","4","I -4","I -4","82","(1R*,2S*,3R*)-3-Chloro-1,2,5,5-tetramethylcyclohexanol","(1R*,2S*,3R*)-3-Chloro-1,2,5,5-tetramethylcyclohexanol","","- C10 H19 Cl O -","- C10 H19 Cl O -","- C80 H152 Cl8 O8 -","8","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0337","0.0324","","","0.0852","0.0868","","","","","","1.087","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021495","6.624","0.002","8.063","0.003","12.29","0.005","90","","96.189","0.006","90","","652.6","0.4","193","2","193","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","(1R,3R,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3R,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Br O -","- C13 H23 Br O -","- C26 H46 Br2 O2 -","2","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0331","0.0267","","","0.0555","0.0571","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021496","6.516","0.004","8.084","0.005","12.148","0.008","90","","94.748","0.009","90","","637.7","0.7","193","2","193","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","(1R,3R,6S,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3R,6S,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Cl O -","- C13 H23 Cl O -","- C26 H46 Cl2 O2 -","2","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0436","0.0321","","","0.0618","0.0647","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021497","12.447","0.006","12.447","0.006","49.29","0.05","90","","90","","120","","6613","8","193","2","193","2","","","","","","","synthesis","4","P 61","P 61","169","(1S,2R,3R,6S,9R)-3-Chloro-2,5,5,9-tetramethylbicyclo[4.4.0]decan-1-ol","(1S,2R,3R,6S,9R)-3-Chloro-2,5,5,9-tetramethylbicyclo[4.4.0]decan-1-ol","","- C14 H25 Cl O -","- C14 H25 Cl O -","- C252 H450 Cl18 O18 -","18","3","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.1037","0.0514","","","0.0903","0.1017","","","","","","0.914","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021498","5.702","0.003","9.187","0.004","24.444","0.012","90","","90","","90","","1280.5","1","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1S,3S,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1S,3S,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Cl O -","- C13 H23 Cl O -","- C52 H92 Cl4 O4 -","4","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0583","0.0348","","","0.064","0.0687","","","","","","0.935","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021499","5.7016","0.0009","13.263","0.002","17.305","0.003","90","","90","","90","","1308.6","0.4","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1S,3R,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1S,3R,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Cl O -","- C13 H23 Cl O -","- C52 H92 Cl4 O4 -","4","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0649","0.0411","","","0.0895","0.0957","","","","","","0.973","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021500","6.3934","0.0005","9.9221","0.0008","28.137","0.002","90","","90","0.002","90","","1784.9","0.2","198","2","198","2","","","","","","","XS-IV-83R","5","P 1 21 1","P 2yb","4","Endo-Proline-phosphoramide(3,5-di-Me-Ph).","","","- C18 H28 N3 O P -","- C18 H28 N3 O P -","- C72 H112 N12 O4 P4 -","4","2","","Scott E. Denmark; Jiping Fu; Diane M. Coe; Xiping Su; Norman E. Pratt; Brian D. Griedel","Chiral Phosphoramide-Catalyzed Enantioselective Addition of Allylic Trichlorosilanes to Aldehydes. Preparative and Mechanistic Studies with Monodentate Phosphorus-Based Amides","Journal of Organic Chemistry","2006","71","","1513","1522","10.1021/jo052202p","","","0.71073","MoKα","","0.2487","0.1163","","0.2304","0.1652","","","","1.2","1.288","1.288","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021501","5.9036","0.0013","17.011","0.004","23.974","0.005","90","","90","","90","","2407.6","0.9","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Br O2 -","- C28 H29 Br O2 -","- C112 H116 Br4 O8 -","4","1","","Scott E. Denmark; Jiping Fu; Michael J. Lawler","Chiral Phosphoramide-Catalyzed Enantioselective Addition of Allylic Trichlorosilanes to Aldehydes. Preparative Studies with Bidentate Phosphorus-Based Amides","Journal of Organic Chemistry","2006","71","","1523","1536","10.1021/jo052203h","","","0.71073","MoKα","","0.111","0.0405","","","0.0606","0.072","","","","","","0.9","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021502","9.3773","0.0009","28.293","0.003","10.4971","0.0011","90","","93.167","0.002","90","","2780.8","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O6 S2 -","- C30 H29 N O6 S2 -","- C120 H116 N4 O24 S8 -","4","2","","Gabriela Islas-González; Jordi Benet-Buchholz; Miguel A. Maestro; Antoni Riera; Miquel A. Pericàs","Boron Trifluoride-Induced, New Stereospecific Rearrangements of Chiral Epoxy Ethers. Ready Access to Enantiopure 4-(Diarylmethyl)-1,3-dioxolanes and 4,5-Disubstituted Tetrahydrobenzo[c]oxepin-4-ols","Journal of Organic Chemistry","2006","71","","1537","1544","10.1021/jo052208e","","","0.71073","MoKα","","0.1369","0.0486","","","0.0851","0.1067","","","","","","0.978","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021503","14.8358","0.0016","5.6888","0.0006","17.707","0.002","90","","99.434","0.004","90","","1474.2","0.3","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Benzo[c]oxepin","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Gabriela Islas-González; Jordi Benet-Buchholz; Miguel A. Maestro; Antoni Riera; Miquel A. Pericàs","Boron Trifluoride-Induced, New Stereospecific Rearrangements of Chiral Epoxy Ethers. Ready Access to Enantiopure 4-(Diarylmethyl)-1,3-dioxolanes and 4,5-Disubstituted Tetrahydrobenzo[c]oxepin-4-ols","Journal of Organic Chemistry","2006","71","","1537","1544","10.1021/jo052208e","","","0.71073","MoKα","","0.0996","0.0527","","","0.1109","0.1239","","","","","","0.911","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021504","8.4218","0.0008","9.081","0.0008","9.155","0.0008","97.508","0.007","101.043","0.007","90.621","0.007","680.84","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O -","- C18 H17 N O -","- C36 H34 N2 O2 -","2","1","","Emma L. Cropper; Andrew J. P. White; Agnes Ford; King Kuok (Mimi) Hii","Ligand Effects in the Synthesis of N-Heterocycles by Intramolecular Heck Reactions","Journal of Organic Chemistry","2006","71","","1732","1735","10.1021/jo0522660","","","0.71073","MoKα","","0.0498","0.0489","","","0.1264","0.1271","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021505","16.5637","0.0012","6.9794","0.0006","27.0219","0.0018","90","","100.622","0.006","90","","3070.3","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","1","","Emma L. Cropper; Andrew J. P. White; Agnes Ford; King Kuok (Mimi) Hii","Ligand Effects in the Synthesis of N-Heterocycles by Intramolecular Heck Reactions","Journal of Organic Chemistry","2006","71","","1732","1735","10.1021/jo0522660","","","0.71073","MoKα","","0.0597","0.0587","","","0.1368","0.1375","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021506","16.6634","0.0019","6.5904","0.0008","20.015","0.002","90","","98.633","0.002","90","","2173.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 N2 O3 S -","- C22 H34 N2 O3 S -","- C88 H136 N8 O12 S4 -","4","1","","Larry E. Overman; Emile J. Velthuisen","Scope and Facial Selectivity of the Prins-Pinacol Synthesis of Attached Rings","Journal of Organic Chemistry","2006","71","","1581","1587","10.1021/jo0522862","","","0.71073","MoKα","","0.0576","0.0437","","","0.1133","0.1245","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021507","7.7747","0.0003","10.2153","0.0004","14.7689","0.0006","81.897","0.001","88.927","0.001","68.981","0.001","1083.34","0.07","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N2 O3 S -","- C22 H34 N2 O3 S -","- C44 H68 N4 O6 S2 -","2","1","","Larry E. Overman; Emile J. Velthuisen","Scope and Facial Selectivity of the Prins-Pinacol Synthesis of Attached Rings","Journal of Organic Chemistry","2006","71","","1581","1587","10.1021/jo0522862","","","0.71073","MoKα","","0.0592","0.0404","","","0.0961","0.1081","","","","","","1.046","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021508","11.188","0.003","6.3507","0.0015","16.177","0.004","90","","103.011","0.004","90","","1119.8","0.5","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N2 O3 S -","- C22 H34 N2 O3 S -","- C44 H68 N4 O6 S2 -","2","1","","Larry E. Overman; Emile J. Velthuisen","Scope and Facial Selectivity of the Prins-Pinacol Synthesis of Attached Rings","Journal of Organic Chemistry","2006","71","","1581","1587","10.1021/jo0522862","","","0.71073","MoKα","","0.1614","0.0939","","","0.2159","0.2654","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021509","9.566","0.001","12.145","0.002","23.348","0.004","90","","90","","90","","2712.53","0.65","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O6 S -","- C25 H31 N O6 S -","- C100 H124 N4 O24 S4 -","4","1","","Yin Wang; Qin-Fei He; Hao-Wei Wang; Xuan Zhou; Zhi-Yan Huang; Yong Qin","Highly Diastereoselective Enolate Addition of O-Protected α-Hydroxyacetate to (S~R~)-tert-Butanesulfinylimines: Synthesis of Taxol Side Chain","Journal of Organic Chemistry","2006","71","","1588","1591","10.1021/jo052298n","","","0.71073","MoKα","","0.0655","0.0418","","","0.0866","0.0913","","","","","","0.975","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021510","14.3365","0.0009","19.7335","0.0019","26.4104","0.0019","97.923","0.005","90.04","0.004","106.804","0.005","7077.9","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","3aptolBr","","","- C59.67 H82.67 Br3 N9 O8.67 -","- C52 H42.5 Br3 N8.5 O2.75 -","- C208 H170 Br12 N34 O11 -","4","2","","David R. Turner; Martin J. Paterson; Jonathan W. Steed","A Conformationally Flexible, Urea-Based Tripodal Anion Receptor: Solid-State, Solution, and Theoretical Studies","Journal of Organic Chemistry","2006","71","","1598","1608","10.1021/jo052339f","","","0.71073","MoKα","","0.2527","0.1228","","","0.2976","0.3475","","","","","","0.904","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021511","14.0745","0.0002","26.5397","0.0003","29.3483","0.0004","90","","96.098","0.001","90","","10900.5","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","TUP.PF6/NO3","TUP.PF6/NO3","","- C54 H60 F6 N10.75 O8.5 P1.25 -","- C54 H60 F6 N10.75 O8.5 P1.25 -","- C432 H480 F48 N86 O68 P10 -","8","1","","David R. Turner; Martin J. Paterson; Jonathan W. Steed","A Conformationally Flexible, Urea-Based Tripodal Anion Receptor: Solid-State, Solution, and Theoretical Studies","Journal of Organic Chemistry","2006","71","","1598","1608","10.1021/jo052339f","","","0.71073","MoKα","","0.1169","0.0828","","","0.2247","0.2503","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021512","11.8906","0.0007","12.2442","0.0008","13.4875","0.0007","101.325","0.004","96.59","0.004","117.117","0.003","1666.17","0.17","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H72 F18 N9 O5 P3 -","- C60 H72 F18 N9 O5 P3 -","- C60 H72 F18 N9 O5 P3 -","1","1","","David R. Turner; Martin J. Paterson; Jonathan W. Steed","A Conformationally Flexible, Urea-Based Tripodal Anion Receptor: Solid-State, Solution, and Theoretical Studies","Journal of Organic Chemistry","2006","71","","1598","1608","10.1021/jo052339f","","","0.71073","MoKα","","0.0804","0.0633","","","0.1342","0.1438","","","","","","1.07","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021513","11.6976","0.0014","8.1596","0.001","15.0502","0.0018","90","","107.932","0.002","90","","1366.7","0.3","","","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","Aziridino-cyclohexene","(1aR,5aS)-1a-methyl-1-[(4-methylphenyl) sulfonyl]-1a,2,5,5a-tetrahydro-1H-1-benzazirene","","- C14 H17 N O2 S -","- C14 H17 N O2 S -","- C56 H68 N4 O8 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0563","0.049","","","0.1257","0.1301","","","","","","1.128","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021514","21.774","0.005","8.4311","0.0018","16.262","0.003","90","","98.761","0.004","90","","2950.5","1.1","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","Aziridino-cyclohexene","(1aR,5aS)-1a,4-dimethyl-1-[(4-methylphenyl) sulfonyl]-1a,2,5,5a-tetrahydro-1H-1-benzazirene","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C120 H152 N8 O16 S8 -","8","2","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0838","0.0706","","","0.1559","0.1657","","","","","","1.265","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021515","12.336","0.008","8.151","0.005","14.536","0.01","90","","104.232","0.011","90","","1416.7","1.6","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Cis-aziridino-epoxy-cyclohexane","(1aS,2aR,3aS,4aR)-2a-methyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0476","0.0413","","","0.1121","0.116","","","","","","1.082","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021516","7.7208","0.0014","18.301","0.003","10.857","0.002","90","","104.458","0.003","90","","1485.6","0.5","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","Cis-aziridino-epoxy-cyclohexane","(1aR,2aS,3aR,4aS)-1a,3a-dimethyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0605","0.0496","","","0.1136","0.1181","","","","","","1.123","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021517","6.4314","0.0017","10.997","0.003","24.165","0.006","90","","91.696","0.004","90","","1708.4","0.8","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Cis-aziridino-epoxy-cyclohexane","(1aS,2aS,3aR,4aS)-1a-isopropyl-3a-methyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.1046","0.0856","","","0.164","0.1701","","","","","","1.431","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021518","6.484","0.004","11.763","0.007","18.062","0.011","90","","98.903","0.01","90","","1360.9","1.4","2969","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","trans-aziridino-epoxy-cyclohexane","(1aR,2aR,3aS,4aS)-2a-methyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0468","0.0398","","","0.1066","0.1123","","","","","","1.066","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021519","31.917","0.007","5.9247","0.0013","15.93","0.004","90","","91.371","0.004","90","","3011.4","1.2","296","2","296","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","trans-aziridino-epoxy-cyclohexane","(1aR,2aR,3aS,4aS)-1a,2a-dimethyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C120 H152 N8 O24 S8 -","8","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.1069","0.0866","","","0.223","0.2415","","","","","","0.985","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021520","7.6464","0.0016","28.747","0.006","7.9681","0.0017","90","","114.656","0.003","90","","1591.8","0.6","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","trans-aziridino-epoxide","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0626","0.0561","","","0.1288","0.1325","","","","","","1.163","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021521","7.0977","0.0016","9.111","0.002","12.314","0.003","101.147","0.003","94.924","0.003","106.198","0.003","742","0.3","296","2","296","2","","","","","","","see text","5","P -1","-P 1","2","cis-cyclic-aziridino-epoxy-octane","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C30 H38 N2 O6 S2 -","2","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0561","0.0458","","","0.123","0.1281","","","","","","1.066","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021522","6.136","0.002","9.04","0.003","11.057","0.004","100.788","0.005","97.355","0.006","92.065","0.006","596.4","0.4","296","2","296","2","","","","","","","see text","5","P -1","-P 1","2","trans-aziridino-epoxide","","","- C12 H12 N O3 S -","- C12 H12 N O3 S -","- C24 H24 N2 O6 S2 -","2","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0436","0.0406","","","0.1108","0.1128","","","","","","1.121","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021523","8.579","0.006","6.023","0.004","13.59","0.009","90","","96.762","0.011","90","","697.4","0.8","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","trans-aziridino-epoxy-cyclohexane","(1aS,2aS,3aR,4aR)-1a-methyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C28 H34 N2 O6 S2 -","2","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0878","0.0739","","","0.1874","0.1931","","","","","","1.159","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021524","15.656","0.004","19.673","0.005","19.736","0.005","90","","90","","90","","6079","3","296","2","296","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","trnas-aziridino-epoxide","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C240 H304 N16 O48 S16 -","16","2","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.1403","0.1021","","","0.1937","0.2064","","","","","","1.274","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021525","6.1762","0.0014","14.029","0.003","17.742","0.004","90","","90","","90","","1537.2","0.6","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","trans-aziridino-epoxide","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0449","0.0398","","","0.0976","0.0999","","","","","","0.998","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021526","11.247","0.002","15.655","0.003","9.4946","0.0018","90","","107.586","0.003","90","","1593.6","0.5","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","trans-aziridino-epoxide","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0638","0.0533","","","0.1444","0.1511","","","","","","1.163","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021527","8.405","0.003","13.343","0.005","15.028","0.005","90","","90","","90","","1685.3","1","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","cis-aziridino-epoxy-carvone","(1aS,4S,5aS)-1a-methyl-4-{(2R)-2-methyl-1-[(4-methylphenyl) sulfonyl]aziran-2-yl}perhydro-1-benzoxiren-2-one","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0283","0.0273","","","0.0676","0.0682","","","","","","1.096","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021528","6.87","0.003","17.753","0.007","18.14","0.007","90","","90","","90","","2212.4","1.6","293","2","293","2","","","","","","","chemical synthesis","4","P 21 21 21","P 2ac 2ab","19","Fred2003","","","- C23 H21 N3 O7 -","- C23 H21 N3 O7 -","- C92 H84 N12 O28 -","4","1","","Frédéric Peyrane; Michèle Cesario; Pascale Clivio","Photochemical Ring Expansion of 4-Azidouracil: a Route to 5H-1,3,5-Triazepin-2,4-dione in the Nucleoside Series","Journal of Organic Chemistry","2006","71","","1742","1745","10.1021/jo0524066","","","0.71073","MoKα","","0.0615","0.0442","","0.0864","","0.0798","","","1.097","","","1.113","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021529","22.013","0.006","12.712","0.004","19.506","0.006","90","","103.427","0.005","90","","5309","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Cl3 N4 O2 -","- C26 H27 Cl3 N4 O2 -","- C208 H216 Cl24 N32 O16 -","8","2","","Yao-Peng Zhao; Chun-Chang Zhao; Li-Zhu Wu; Li-Ping Zhang; Chen-Ho Tung; Yuan-Jiang Pan","First Fluorescent Sensor for Fluoride Based on 2-Ureido-4[1H]-pyrimidinone Quadruple Hydrogen-Bonded AADD Supramolecular Assembly","Journal of Organic Chemistry","2006","71","","2143","2146","10.1021/jo051932u","","","0.71073","MoKα","","0.1747","0.0774","","","0.2001","0.2688","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021530","13.629","0.003","12.626","0.002","16.359","0.004","90","","105.21","0.02","90","","2716.4","1","294","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 N O5 Si -","- C28 H35 N O5 Si -","- C112 H140 N4 O20 Si4 -","4","1","","Nicolas Pichon; Anne Harrison-Marchand; Loic Toupet; Jacques Maddaluno","Stereocontrolled Synthesis and Cycloaddition of 1,2,4-Trioxygenated 1,3-Dienes","Journal of Organic Chemistry","2006","71","","1892","1901","10.1021/jo0521854","","","0.71069","MoKα","","0.09","0.0446","","","0.113","0.1291","","","","","","1.011","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021531","10.3806","0.0002","14.2036","0.0004","19.7427","0.0005","90","","90","","90","","2910.9","0.12","294","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 O5 Si -","- C31 H36 O5 Si -","- C124 H144 O20 Si4 -","4","1","","Nicolas Pichon; Anne Harrison-Marchand; Loic Toupet; Jacques Maddaluno","Stereocontrolled Synthesis and Cycloaddition of 1,2,4-Trioxygenated 1,3-Dienes","Journal of Organic Chemistry","2006","71","","1892","1901","10.1021/jo0521854","","","0.71069","MoKα","","0.1104","0.0507","","","0.1255","0.1577","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021532","9.3229","0.0003","13.8767","0.0005","22.3925","0.0011","90","","90","","90","","2896.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","NOE2","NOE2","","- C12 H21 N O5 -","- C24 H42 N2 O10 -","- C96 H168 N8 O40 -","4","1","","Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza","Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study","Journal of Organic Chemistry","2006","71","","1869","1878","10.1021/jo0521955","","","0.71073","MoKα","","0.0697","0.0522","","","0.1145","0.1252","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021533","9.37","0.0004","13.6508","0.0006","9.424","0.0004","90","","90","","90","","1205.4","0.09","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","noe.mom","noe.mom","","- C10 H17 N O5 -","- C10 H17 N O5 -","- C40 H68 N4 O20 -","4","1","","Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza","Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study","Journal of Organic Chemistry","2006","71","","1869","1878","10.1021/jo0521955","","","0.71073","MoKα","","0.1118","0.0582","","","0.1286","0.1503","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021534","9.3753","0.0002","10.5438","0.0003","13.9897","0.0004","104.501","0.0018","100.171","0.0016","109.029","0.001","1214.26","0.06","223","2","223","2","","","","","","","","4","P -1","-P 1","2","noe-2-7","2-OMOM-1-acetamidociclobutilcarboxilato de metilo","","- C20 H34 N2 O10 -","- C20 H34 N2 O10 -","- C40 H68 N4 O20 -","2","1","","Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza","Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study","Journal of Organic Chemistry","2006","71","","1869","1878","10.1021/jo0521955","","","0.71073","MoKα","","0.1212","0.0732","","","0.1987","0.2339","","","","","","1.048","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021535","7.1537","0.0002","17.2234","0.0006","9.5554","0.0003","90","","96.095","0.002","90","","1170.68","0.06","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","etoxi-1-acetamidometoxicarbonilciclobutano","cis-2-etoxi-1-acetamidometoxicarbonilciclobutano","","- C10 H17 N O4 -","- C10 H17 N O4 -","- C40 H68 N4 O16 -","4","1","","Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza","Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study","Journal of Organic Chemistry","2006","71","","1869","1878","10.1021/jo0521955","","","0.71073","MoKα","","0.0981","0.0528","","","0.1293","0.1511","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021536","9.7028","0.0013","10.3326","0.0014","22.559","0.003","90","","90","","90","","2261.7","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","04022a","3-[3R-Benzyl-1-(4-methoxybenzyl)-2-oxo-pyrrolidin-3-yl] -4S-phenyl-oxazolidin-2-one (7a)","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Bhooma Raghavan; Rodney L. Johnson","Short Stereoselective Synthesis of α-Substitute γ-Lactams","Journal of Organic Chemistry","2006","71","","2151","2154","10.1021/jo052212q","","","0.71073","MoKα","","0.0366","0.0282","","","0.0719","0.0785","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021537","9.2415","0.0008","11.7262","0.001","11.7251","0.001","90","","110.305","0.001","90","","1191.66","0.18","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","04208a","(3-[3R-Benzyl-1-(4-methyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-ylmethyl) -2-oxo-pyrrolidin-3-yl]-4S-phenyl-oxazolidin-2-one (15a)","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C54 H60 N4 O12 -","2","1","","Bhooma Raghavan; Rodney L. Johnson","Short Stereoselective Synthesis of α-Substitute γ-Lactams","Journal of Organic Chemistry","2006","71","","2151","2154","10.1021/jo052212q","","","0.71073","MoKα","","0.0527","0.039","","","0.0881","0.0959","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021538","10.083","0.001","9.6407","0.001","25.028","0.003","90","","101.187","0.002","90","","2386.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 O Se -","- C30 H26 O Se -","- C120 H104 O4 Se4 -","4","1","","Min Shi; Jian-Mei Lu","Reactions of Vinylidenecyclopropanes with Diphenyl Diselenide in the Presence of AIBN and Further Transformation To Produce New Naphthalene Derivatives","Journal of Organic Chemistry","2006","71","","1920","1923","10.1021/jo0522613","","","0.71073","MoKα","","0.0889","0.0408","","","0.0769","0.0843","","","","","","0.769","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021539","11.602","0.005","7.431","0.003","14.741","0.006","90","","97.244","0.009","90","","1260.7","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2'S,4a'S,7'R,8a'R)-1-(3-Benzyl-4',4',7'- trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-2,2,2-trifluoro-1-(4- methoxyphenyl)ethanol.","","- C27 H34 F3 N O3 -","- C27 H34 F3 N O3 -","- C54 H68 F6 N2 O6 -","2","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Alicia Maestro","An Efficient Synthesis of Enantiomerically Enriched Trifluoromethylated 1,2-Diols and 1,2-Amino Alcohols with Quaternary Stereocenters by Diastereoselective Addition of TMSCF~3~ to Chiral 2-Acyl-1,3-perhydrobenzoxazines","Journal of Organic Chemistry","2006","71","","2177","2180","10.1021/jo052458v","","","0.71073","MoKα","","0.0512","0.036","","","0.0938","0.1024","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021540","10.061","0.003","12.495","0.003","18.164","0.005","90","","90","","90","","2283.4","1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,2'S,4a'S,7'R,8a'R)-2-(3-Benzyl-4',4',7'- trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-1,1,1-trifluoro-3- methylbutan-2-ol","","- C23 H34 F3 N O2 -","- C23 H34 F3 N O2 -","- C92 H136 F12 N4 O8 -","4","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Alicia Maestro","An Efficient Synthesis of Enantiomerically Enriched Trifluoromethylated 1,2-Diols and 1,2-Amino Alcohols with Quaternary Stereocenters by Diastereoselective Addition of TMSCF~3~ to Chiral 2-Acyl-1,3-perhydrobenzoxazines","Journal of Organic Chemistry","2006","71","","2177","2180","10.1021/jo052458v","","","0.71073","MoKα","","0.0339","0.0281","","","0.0765","0.0814","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021541","8.22","0.003","9.013","0.003","9.635","0.003","68.718","0.006","74.078","0.006","63.603","0.005","590.3","0.4","298","2","298","2","","","","","","","","5","P 1","P 1","1","","(2S,2'S,4a'S,7'R,8a'R)-2-(3-Benzyl-4',4',7'- trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-1,1,1-trifluorohexan-2- ol","","- C24 H36 F3 N O2 -","- C24 H36 F3 N O2 -","- C24 H36 F3 N O2 -","1","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Alicia Maestro","An Efficient Synthesis of Enantiomerically Enriched Trifluoromethylated 1,2-Diols and 1,2-Amino Alcohols with Quaternary Stereocenters by Diastereoselective Addition of TMSCF~3~ to Chiral 2-Acyl-1,3-perhydrobenzoxazines","Journal of Organic Chemistry","2006","71","","2177","2180","10.1021/jo052458v","","","0.71073","MoKα","","0.0374","0.0361","","","0.1011","0.1033","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021542","6.1368","0.001","22.711","0.004","12.799","0.002","90","","90.663","0.003","90","","1783.7","0.5","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O5 -","- C18.966 H23 N O4.595 -","- C75.864 H92 N4 O18.38 -","4","1","","Jeffrey E. Kropf; Ivona C. Meigh; Magnus W. P. Bebbington; Steven M. Weinreb","Studies on a Total Synthesis of the Microbial Immunosuppresive Agent FR901483","Journal of Organic Chemistry","2006","71","","2046","2055","10.1021/jo052466b","","","0.71073","MoKα","","0.0794","0.0671","","","0.1969","0.207","","","","","","1.096","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021543","10.417","0.004","22.057","0.008","12.115","0.005","90","","90.138","0.011","90","","2783.6","1.8","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C96 H160 N16 O32 -","8","4","","Grant R. Krow; Qiuli Huang; Guoliang Lin; Ryan A. Centafont; Andrew M. Thomas; Deepa Gandla; Charles DeBrosse; Patrick J. Carroll","5-Carboxy-2-azabicyclo[2.1.1]hexanes as Precursors of 5-Halo, Amino, Phenyl, and 2-Methoxycarbonylethyl Methanopyrrolidines","Journal of Organic Chemistry","2006","71","","2090","2098","10.1021/jo052506b","","","0.7107","MoKα","","0.0655","0.0602","","","0.1599","0.1661","","","","","","1.114","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021544","9.9344","0.0011","13.5019","0.0015","10.2111","0.0011","90","","102.034","0.003","90","","1339.5","0.3","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O3 -","- C11 H17 N5 O3 -","- C44 H68 N20 O12 -","4","1","","Grant R. Krow; Qiuli Huang; Guoliang Lin; Ryan A. Centafont; Andrew M. Thomas; Deepa Gandla; Charles DeBrosse; Patrick J. Carroll","5-Carboxy-2-azabicyclo[2.1.1]hexanes as Precursors of 5-Halo, Amino, Phenyl, and 2-Methoxycarbonylethyl Methanopyrrolidines","Journal of Organic Chemistry","2006","71","","2090","2098","10.1021/jo052506b","","","0.71069","MoKα","","0.0436","0.0387","","","0.0979","0.1021","","","","","","1.043","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021545","6.266","0.0011","11.757","0.002","23.212","0.004","90","","90","","90","","1710.1","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound12","(4S)-4-benzyl-3-[(3S)-spiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane] -5-en-3-ylcarbonyl]-1,3-oxazolidin-2-one","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Jeffrey T. Kuethe; Dalian Zhao; Guy R. Humphrey; Michel Journet; Arlene E. McKeown","Asymmetric Diels-Alder Reactions of Chiral Cyclopropylidene Imide Dienophiles: Preparation of gem-Dimethyl- and Spirocyclopropane Norbornyl Carboxylic Acids","Journal of Organic Chemistry","2006","71","","2192","2195","10.1021/jo052516c","","","0.71073","MoKα","","0.0535","0.045","","","0.1121","0.1175","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021546","8.7449","0.0007","9.1351","0.0008","20.2771","0.0017","90","","90","","90","","1619.8","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound22","(3aS,8aR)-3-[(3S)-spiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane] -5-en-3-ylcarbonyl]-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazo-2-one","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Jeffrey T. Kuethe; Dalian Zhao; Guy R. Humphrey; Michel Journet; Arlene E. McKeown","Asymmetric Diels-Alder Reactions of Chiral Cyclopropylidene Imide Dienophiles: Preparation of gem-Dimethyl- and Spirocyclopropane Norbornyl Carboxylic Acids","Journal of Organic Chemistry","2006","71","","2192","2195","10.1021/jo052516c","","","0.71073","MoKα","","0.0368","0.0336","","","0.0847","0.0869","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021547","10.563","0.002","9.546","0.002","19.385","0.004","90","","105.19","0.03","90","","1886.4","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O -","- C25 H22 O -","- C100 H88 O4 -","4","1","","W. Brian Jennings; Brid M. Farrell; John F. Malone","Stereodynamics and Edge-to-Face CH-π Aromatic Interactions in o-Phenethyl-Substituted Biaryls","Journal of Organic Chemistry","2006","71","","2277","2282","10.1021/jo0520902","","","1.54178","CuKα","","0.0635","0.0455","","","0.1118","0.1229","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021548","7.5263","0.0015","16.602","0.003","7.8093","0.0016","90","","98.89","0.03","90","","964.1","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H24 O -","- C26 H24 O -","- C52 H48 O2 -","2","1","","W. Brian Jennings; Brid M. Farrell; John F. Malone","Stereodynamics and Edge-to-Face CH-π Aromatic Interactions in o-Phenethyl-Substituted Biaryls","Journal of Organic Chemistry","2006","71","","2277","2282","10.1021/jo0520902","","","1.54178","CuKα","","0.0491","0.0429","","","0.1115","0.1166","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021549","59.445","0.003","10.5079","0.0005","25.8107","0.0011","90","","95.554","0.002","90","","16046.8","1.3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C96 H100 O20 -","- C96 H100 O20 -","- C768 H800 O160 -","8","2","","Enrique M. Rubio; M. Isabel García-Moreno; Patricia Balbuena; Fernando J. Lahoz; Eleuterio Álvarez; Carmen Ortiz Mellet; José M. García Fernández","Spacer-Mediated Synthesis of Contra-Thermodynamic Spiroacetals: Stereoselective Synthesis of C~2~-Symmetric Difructose Dianhydrides","Journal of Organic Chemistry","2006","71","","2257","2266","10.1021/jo052184b","","","0.6934","synchrotron","","0.1122","0.0874","","","0.2239","0.2532","","","","","","1.063","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021550","13.3529","0.001","16.269","0.0012","18.2496","0.0016","85.878","0.005","86.844","0.004","70.947","0.005","3735.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H73 F24 N7 O6 P4 -","- C70 H73 F23.992 N7 O6 P4 -","- C140 H146 F47.984 N14 O12 P8 -","2","1","","Pin-Nan Cheng; Po-Yi Huang; Wan-Sheung Li; Shau-Hua Ueng; Wei-Chung Hung; Yi-Hung Liu; Chien-Chen Lai; Yu Wang; Shie-Ming Peng; Ito Chao; Sheng-Hsien Chiu","Is [N^+^-H···O] Hydrogen Bonding the Most Important Noncovalent Interaction in Macrocycle-Dibenzylammonium Ion Complexes?","Journal of Organic Chemistry","2006","71","","2373","2383","10.1021/jo052411+","","","0.71073","MoKα","","0.1743","0.0669","","","0.1533","0.204","","","","","","0.987","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021551","22.0478","0.0004","23.4873","0.0007","13.2064","0.0006","90","","94.884","0.001","90","","6814","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H69 F24 N5 O7 P4 -","- C65 H69 F24 N5 O7 P4 -","- C260 H276 F96 N20 O28 P16 -","4","1","","Pin-Nan Cheng; Po-Yi Huang; Wan-Sheung Li; Shau-Hua Ueng; Wei-Chung Hung; Yi-Hung Liu; Chien-Chen Lai; Yu Wang; Shie-Ming Peng; Ito Chao; Sheng-Hsien Chiu","Is [N^+^-H···O] Hydrogen Bonding the Most Important Noncovalent Interaction in Macrocycle-Dibenzylammonium Ion Complexes?","Journal of Organic Chemistry","2006","71","","2373","2383","10.1021/jo052411+","","","0.71073","MoKα","","0.1793","0.0599","","","0.136","0.1672","","","","","","0.848","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021552","8.39","0.003","18.948","0.007","13.886","0.005","90","","103.889","0.007","90","","2143","1.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O8 -","- C23 H22 O8 -","- C92 H88 O32 -","4","1","","Vijay Nair; Ani Deepthi; Manojkumar Poonoth; Bindu Santhamma; Sreekumar Vellalath; Beneesh Pattoorpady Babu; Resmi Mohan; Eringathodi Suresh","Reaction of Dimethoxycarbene-DMAD Zwitterion with 1,2-Diones and Anhydrides: A Novel Synthesis of Highly Substituted Dihydrofurans and Spirodihydrofurans","Journal of Organic Chemistry","2006","71","","2313","2319","10.1021/jo052429k","","","0.71073","MoKα","","0.064","0.0549","","","0.1313","0.1363","","","","","","1.124","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021553","38.507","0.003","11.0686","0.0008","13.5293","0.001","90","","90","","90","","5766.5","0.7","300","2","273","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C30 H32 O10 -","- C30 H32 O10 -","- C240 H256 O80 -","8","1","","Vijay Nair; Ani Deepthi; Manojkumar Poonoth; Bindu Santhamma; Sreekumar Vellalath; Beneesh Pattoorpady Babu; Resmi Mohan; Eringathodi Suresh","Reaction of Dimethoxycarbene-DMAD Zwitterion with 1,2-Diones and Anhydrides: A Novel Synthesis of Highly Substituted Dihydrofurans and Spirodihydrofurans","Journal of Organic Chemistry","2006","71","","2313","2319","10.1021/jo052429k","","","0.71073","MoKα","","0.0864","0.0665","","","0.1528","0.1639","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021554","10.495","0.002","11.003","0.002","11.888","0.003","102.636","0.014","115.823","0.01","102.89","0.01","1123.8","0.4","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N3 O3 -","- C27 H25 N3 O3 -","- C54 H50 N6 O6 -","2","1","","Esen Bellur; Helmar Görls; Peter Langer","Domino Reactions of 1,2-Diimidoyl-1,2-dichloroethanes. Synthesis of 3-Imino-1,2-dithia-3H-cyclopent-4-enes, 3-Amino-2-thioxo-2,5H-pyrrol-5-ones, 2,3-Diamino-4-thioxo-4H-thiopyrans, and 6-Imino-6H-1,3-oxazines","Journal of Organic Chemistry","2006","71","","2332","2338","10.1021/jo052450l","","","0.71073","MoKα","","0.0637","0.0414","","","0.1093","0.1156","","","","","","0.985","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021555","7.4665","0.0002","14.5957","0.0004","16.4508","0.0005","90","","90","","90","","1792.79","0.09","183","2","183","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H20 N2 O S -","- C20 H20 N2 O S -","- C80 H80 N8 O4 S4 -","4","1","","Esen Bellur; Helmar Görls; Peter Langer","Domino Reactions of 1,2-Diimidoyl-1,2-dichloroethanes. Synthesis of 3-Imino-1,2-dithia-3H-cyclopent-4-enes, 3-Amino-2-thioxo-2,5H-pyrrol-5-ones, 2,3-Diamino-4-thioxo-4H-thiopyrans, and 6-Imino-6H-1,3-oxazines","Journal of Organic Chemistry","2006","71","","2332","2338","10.1021/jo052450l","","","0.71073","MoKα","","0.0515","0.0423","","","0.1018","0.1083","","","","","","1.038","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021556","21.8453","0.0005","7.9252","0.0002","12.0822","0.0002","90","","99.811","0.001","90","","2061.18","0.08","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O3 S2 -","- C22 H22 N2 O3 S2 -","- C88 H88 N8 O12 S8 -","4","1","","Esen Bellur; Helmar Görls; Peter Langer","Domino Reactions of 1,2-Diimidoyl-1,2-dichloroethanes. Synthesis of 3-Imino-1,2-dithia-3H-cyclopent-4-enes, 3-Amino-2-thioxo-2,5H-pyrrol-5-ones, 2,3-Diamino-4-thioxo-4H-thiopyrans, and 6-Imino-6H-1,3-oxazines","Journal of Organic Chemistry","2006","71","","2332","2338","10.1021/jo052450l","","","0.71073","MoKα","","0.0616","0.0434","","","0.1096","0.1191","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021557","15.937","0.005","7.227","0.003","10.649","0.003","90","","91","0.02","90","","1226.3","0.7","295","2","295","2","","","","","","","see text","3","P 1 21/a 1","-P 2yab","14","Hypodermin B","1RS-Hydroxy-6,6-dimethyl-7,8-dihydronaphtho[1,2-c]furan-3,9(1H,6H)-dione","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","","Luke C. Henderson; Wendy A. Loughlin; Ian D. Jenkins; Peter C. Healy; Marc R. Campitelli","Efficient Formal Synthesis of (±)-Hyphodermin B","Journal of Organic Chemistry","2006","71","","2384","2388","10.1021/jo052485l","","","0.71069","MoKα","","0.1238","0.0666","","","0.1823","0.2182","","","","","","1.035","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021558","18.193","0.005","11.808","0.003","9.98","0.003","90","","90","","90","","2143.9","1","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H29 B F2 N2 O2 -","- C21 H29 B F2 N2 O2 -","- C84 H116 B4 F8 N8 O8 -","4","0.5","","Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda","CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles","Journal of Organic Chemistry","2006","71","","2389","2394","10.1021/jo052511f","","","0.71073","MoKα","","0.1235","0.1095","","","0.1916","0.1972","","","","","","1.331","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021559","7.2512","0.0015","10.18","0.002","15.873","0.003","90","","91.287","0.004","90","","1171.4","0.4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 B F2 N2 O2 -","- C12 H11 B F2 N2 O2 -","- C48 H44 B4 F8 N8 O8 -","4","1","","Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda","CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles","Journal of Organic Chemistry","2006","71","","2389","2394","10.1021/jo052511f","","","0.71073","MoKα","","0.0949","0.0802","","","0.1531","0.1593","","","","","","1.261","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021560","8.465","0.0011","15.953","0.002","7.1898","0.001","90","","112.498","0.002","90","","897","0.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B F2 N O2 -","- C8 H8 B F2 N O2 -","- C32 H32 B4 F8 N4 O8 -","4","1","","Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda","CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles","Journal of Organic Chemistry","2006","71","","2389","2394","10.1021/jo052511f","","","0.71073","MoKα","","0.0575","0.0508","","","0.1126","0.1158","","","","","","1.143","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021561","13.2822","0.0017","10.0025","0.0013","19.084","0.002","90","","93.46","0.002","90","","2530.7","0.6","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 B F2 N2 O2 -","- C13 H13 B F2 N2 O2 -","- C104 H104 B8 F16 N16 O16 -","8","1","","Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda","CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles","Journal of Organic Chemistry","2006","71","","2389","2394","10.1021/jo052511f","","","0.71073","MoKα","","0.0548","0.0487","","","0.1176","0.122","","","","","","1.03","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021562","12.314","0.009","5.395","0.004","23.491","0.009","90","","99.5","0.05","90","","1539.1","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","0.71069","MoKα","","0.0861","0.066","","","0.1716","0.1896","","","","","","0.995","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021563","8.2907","0.0007","25.267","0.002","9.8863","0.001","90","","92.895","0.007","90","","2068.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl N O3 S -","- C22 H30 Cl N O3 S -","- C88 H120 Cl4 N4 O12 S4 -","4","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","1.54178","CuKα","","0.0368","0.0346","","","0.0975","0.0996","","","","","","1.045","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021564","12.0277","0.0008","8.1746","0.0006","32.402","0.002","90","","92.259","0.002","90","","3183.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21.5 N O3.25 S -","- C15 H21 N O3.25 S -","- C120 H168 N8 O26 S8 -","8","2","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","0.71069","MoKα","","0.0873","0.0703","","","0.1538","0.1636","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021565","37.0373","0.0005","8.1352","0.0001","17.3169","0.0003","90","","112.948","0.001","90","","4804.75","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 N O3 S -","- C27 H29 N O3 S -","- C216 H232 N8 O24 S8 -","8","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","1.54178","CuKα","","0.0505","0.045","","","0.1242","0.1296","","","","","","1.031","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021566","11.702","0.007","19.771","0.011","8.26","0.003","91.731","0.007","94.46","0.02","78.626","0.009","1867.6","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl N O3.5 S -","- C16 H25 Cl N O3.5 S -","- C64 H100 Cl4 N4 O14 S4 -","4","2","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","0.71069","MoKα","","0.1201","0.0711","","","0.1741","0.2066","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021567","12.7573","0.0002","7.1769","0.0001","18.2639","0.0003","90","","103.375","0.001","90","","1626.85","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 N O4 S -","- C15 H23 N O4 S -","- C60 H92 N4 O16 S4 -","4","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","1.54178","CuKα","","0.0591","0.0534","","","0.1459","0.1529","","","","","","1.06","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021568","7.1655","0.0005","12.5023","0.0008","12.5225","0.0008","72.821","0.004","73.935","0.005","80.046","0.005","1024.84","0.12","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cl N O3 S -","- C22 H30 Cl N O3 S -","- C44 H60 Cl2 N2 O6 S2 -","2","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","1.54178","CuKα","","0.0489","0.0455","","","0.1284","0.1331","","","","","","1.05","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021569","10.6258","0.0005","14.2621","0.0007","13.7374","0.0007","90","","104.524","0.001","90","","2015.32","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O6 S -","- C20 H20 N2 O6 S -","- C80 H80 N8 O24 S4 -","4","1","","Kai Deng; Ahlem Bensari-Bouguerra; Joseph Whetstone; Theodore Cohen","Cyclization by Intramolecular Carbolithiation of Alkyl- and Vinyllithiums Prepared by the Action of Aromatic Radical Anions on Phenyl Thioethers. High Stereoselectivity in the Cyclization Accelerated by an Allylic Lithium Oxyanion","Journal of Organic Chemistry","2006","71","","2360","2372","10.1021/jo052535m","","","0.71073","MoKα","","0.1096","0.078","","","0.1958","0.2067","","","","","","1.476","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021570","7.471","0.0005","12.1457","0.0008","12.2613","0.0008","72.842","0.001","89.109","0.002","78.209","0.002","1039.46","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 S -","- C21 H21.22 N2 O6 S -","- C42 H42.44 N4 O12 S2 -","2","1","","Kai Deng; Ahlem Bensari-Bouguerra; Joseph Whetstone; Theodore Cohen","Cyclization by Intramolecular Carbolithiation of Alkyl- and Vinyllithiums Prepared by the Action of Aromatic Radical Anions on Phenyl Thioethers. High Stereoselectivity in the Cyclization Accelerated by an Allylic Lithium Oxyanion","Journal of Organic Chemistry","2006","71","","2360","2372","10.1021/jo052535m","","","0.71073","MoKα","","0.1169","0.0905","","","0.2154","0.2242","","","","","","1.619","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021571","9.139","0.0014","19.074","0.004","26.46","0.004","90","","90","","90","","4612.5","1.3","295","2","295","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C12 H22 O -","- C12 H22 O -","- C192 H352 O16 -","16","","","Kai Deng; Ahlem Bensari-Bouguerra; Joseph Whetstone; Theodore Cohen","Cyclization by Intramolecular Carbolithiation of Alkyl- and Vinyllithiums Prepared by the Action of Aromatic Radical Anions on Phenyl Thioethers. High Stereoselectivity in the Cyclization Accelerated by an Allylic Lithium Oxyanion","Journal of Organic Chemistry","2006","71","","2360","2372","10.1021/jo052535m","","","0.71073","MoKα","","0.0911","0.0585","","","0.1302","0.1436","","","","","","1.016","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021572","7.949","0.001","10.221","0.002","19.48","0.002","90","0.01","90","0.009","90","0.01","1582.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl (2aS,7S,7aR,7bR)-7-tert-Butoxy-2a-chlorohexahydro cyclobuta[d]pyrrolo[1,2-b]isoxazole-7b-(1H)-carboxylate","","- C14 H22 Cl N O4 -","- C14 H22 Cl N O4 -","- C56 H88 Cl4 N4 O16 -","4","1","","Julia Revuelta; Stefano Cicchi; Cristina Faggi; Sergei I. Kozhushkov; Armin de Meijere; Alberto Brandi","Synthesis of Enantiopure Indolizinones by Cascade Ring Enlargements of 4'-Chlorospiro[cyclopropane-1,5'-isoxazolidines]","Journal of Organic Chemistry","2006","71","","2417","2423","10.1021/jo052564x","","","0.71073","MoKα","","0.0939","0.0646","","","0.153","0.1724","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021573","10.5576","0.0002","16.3112","0.0005","10.9369","0.0003","90","","108.886","0.002","90","","1782.02","0.08","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 O P -","- C9 H11 O P -","- C72 H88 O8 P8 -","8","4","","Marco Oliana; Frank King; Peter N. Horton; M. B. Hursthouse; King Kuok (Mimi) Hii","Practical Synthesis of Chiral Vinylphosphine Oxides by Direct Nucleophilic Substitution. Stereodivergent Synthesis of Aminophosphine Ligands","Journal of Organic Chemistry","2006","71","","2472","2479","10.1021/jo052575q","","","0.71073","MoKα","","0.0516","0.0402","","","0.0933","0.0984","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021574","8.8844","0.0002","9.2378","0.0002","11.7132","0.0003","90","","90","","90","","961.33","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 O P -","- C10 H13 O P -","- C40 H52 O4 P4 -","4","1","","Marco Oliana; Frank King; Peter N. Horton; M. B. Hursthouse; King Kuok (Mimi) Hii","Practical Synthesis of Chiral Vinylphosphine Oxides by Direct Nucleophilic Substitution. Stereodivergent Synthesis of Aminophosphine Ligands","Journal of Organic Chemistry","2006","71","","2472","2479","10.1021/jo052575q","","","0.71073","MoKα","","0.0305","0.0273","","","0.0653","0.0671","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021575","22.9793","0.0017","5.2856","0.0004","34.382","0.003","90","","90","","90","","4176.1","0.5","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C216 H168 N24 O16 -","8","2","","Lori I. Robins; Richard D. Carpenter; James C. Fettinger; Makhluf J. Haddadin; Dino S. Tinti; Mark J. Kurth","Diazocinones: Synthesis and Conformational Analysis","Journal of Organic Chemistry","2006","71","","2480","2485","10.1021/jo052577a","","","0.71073","MoKα","","0.0702","0.0496","","","0.1072","0.1161","","","","","","1.011","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021576","19.899","0.001","20.987","0.001","21.619","0.001","90","","111.143","0.001","90","","8420.8","0.8","100","2","100","2","","","","","","","","10","C 1 2 1","C 2y","5","","","","- C38.5 H48 Cl3 F6 Fe N O P Pd Sb -","- C38.5 H48 Cl3 F6 Fe N O P Pd Sb -","- C308 H384 Cl24 F48 Fe8 N8 O8 P8 Pd8 Sb8 -","8","2","","Felix M. Geisler; Günter Helmchen","Chiral Phosphinooxazolines with a Pentamethylferrocene Backbone- Synthesis and Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","2486","2492","10.1021/jo0526136","","","0.71073","MoKα","","0.0319","0.0271","","","0.0625","0.0645","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021577","9.708","0.0007","19.346","0.001","20.884","0.002","90","","90","","90","","3922.2","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C40 H49 F6 Fe N O P Pd Sb -","- C40 H49 F6 Fe N O P Pd Sb -","- C160 H196 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","4","1","","Felix M. Geisler; Günter Helmchen","Chiral Phosphinooxazolines with a Pentamethylferrocene Backbone- Synthesis and Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","2486","2492","10.1021/jo0526136","","","0.71073","MoKα","","0.0314","0.028","","","0.0644","0.0656","","","","","","1.045","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021578","9.5017","0.0006","9.8087","0.0009","11.8467","0.0013","92.425","0.014","98.361","0.009","113.223","0.009","997.81","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C42 H54 N2 O12 -","2","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.059","0.0483","","","0.1274","0.1347","","","","","","1.036","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021579","9.671","0.003","10.877","0.004","11.586","0.004","87.23","0.03","84.82","0.03","69.79","0.03","1138.8","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C46 H56 O14 -","2","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.0963","0.0732","","","0.1972","0.2168","","","","","","1.017","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021580","15.2133","0.0014","11.0199","0.001","10.072","0.002","90","","100.85","0.012","90","","1658.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.0818","0.0709","","","0.1911","0.2003","","","","","","1.068","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021581","11.822","0.004","10.17","0.003","20.703","0.004","90","","90","","90","","2489.1","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C112 H88 N8 O48 -","8","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.0672","0.0541","","","0.1484","0.1586","","","","","","1.045","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021582","14.19","0.007","16.347","0.007","12.433","0.008","90","","93.14","0.05","90","","2880","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 O8 -","- C31 H36 O8 -","- C124 H144 O32 -","4","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.1088","0.088","","","0.2403","0.2681","","","","","","1.033","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021583","19.1965","0.0008","19.6566","0.0008","28.9209","0.0011","90","","90","","90","","10913","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H72 O15 -","- C52 H72 O15 -","- C416 H576 O120 -","8","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54248","CuKα","","0.1291","0.1078","","","0.2116","0.2221","","","","","","1.453","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021584","8.2262","0.0012","32.985","0.005","9.6563","0.0014","90","","101.254","0.003","90","","2569.8","0.7","298","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 N O3 Si -","- C25 H39 N O3 Si -","- C100 H156 N4 O12 Si4 -","4","1","","Yan Zhang; Yongqiang Wang; Wei-Min Dai","Efficient Remote Axial-to-Central Chirality Transfer in Enantioselective SmI~2~-Mediated Reductive Coupling of Aldehydes with Crotonates of Atropisomeric 1-Naphthamides","Journal of Organic Chemistry","2006","71","","2445","2455","10.1021/jo0526486","","","0.71069","MoKα","","","0.0484","","","","0.0976","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021585","7.9142","0.0006","15.37","0.0013","13.0993","0.0011","90","","99.019","0.002","90","","1573.7","0.2","100","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H41 N O6 -","- C35 H41 N O6 -","- C70 H82 N2 O12 -","2","1","","Yan Zhang; Yongqiang Wang; Wei-Min Dai","Efficient Remote Axial-to-Central Chirality Transfer in Enantioselective SmI~2~-Mediated Reductive Coupling of Aldehydes with Crotonates of Atropisomeric 1-Naphthamides","Journal of Organic Chemistry","2006","71","","2445","2455","10.1021/jo0526486","","","0.71069","MoKα","","","0.0654","","","","0.1142","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021586","14.0513","0.0009","14.5754","0.0009","15.3593","0.0009","90","","113.306","0.001","90","","2889","0.3","100","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H39 N O6 -","- C30 H39 N O6 -","- C120 H156 N4 O24 -","4","2","","Yan Zhang; Yongqiang Wang; Wei-Min Dai","Efficient Remote Axial-to-Central Chirality Transfer in Enantioselective SmI~2~-Mediated Reductive Coupling of Aldehydes with Crotonates of Atropisomeric 1-Naphthamides","Journal of Organic Chemistry","2006","71","","2445","2455","10.1021/jo0526486","","","0.71069","MoKα","","","0.0558","","","","0.1017","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021587","11.1336","0.001","8.6732","0.001","12.584","0.001","90","","111.078","0.004","90","","1133.86","0.19","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","Paquette 1399","","","- C10 H9 Br2 N O2 S -","- C10 H9 Br2 N O2 S -","- C40 H36 Br8 N4 O8 S4 -","4","1","","Robert D. Dura; Leo A. Paquette","Ring Contraction of Bridgehead Sultams by Photoinduced Di-π-methane Rearrangement","Journal of Organic Chemistry","2006","71","","2456","2459","10.1021/jo0526587","","x-ray","0.71073","MoKα","","0.0426","0.0346","","","0.0816","0.0857","","","","","","1.168","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021588","9.2219","0.0005","10.6484","0.0005","17.6602","0.0009","90","","90","","90","","1734.2","0.15","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 I N S2 -","- C16 H26 I N S2 -","- C64 H104 I4 N4 S8 -","4","1","","Amos B. Smith, III; Dae-Shik Kim","A General, Convergent Strategy for the Construction of Indolizidine Alkaloids: Total Syntheses of (-)-Indolizidine 223AB and Alkaloid (-)-205B","Journal of Organic Chemistry","2006","71","","2547","2557","10.1021/jo052314g","","","0.71069","MoKα","","0.0201","0.0197","","","0.0466","0.0469","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021589","10.616","0.003","6.7014","0.0018","10.72","0.003","90","","98.568","0.002","90","","754.1","0.4","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O S2 -","- C15 H23 N O S2 -","- C30 H46 N2 O2 S4 -","2","1","","Amos B. Smith, III; Dae-Shik Kim","A General, Convergent Strategy for the Construction of Indolizidine Alkaloids: Total Syntheses of (-)-Indolizidine 223AB and Alkaloid (-)-205B","Journal of Organic Chemistry","2006","71","","2547","2557","10.1021/jo052314g","","","0.71069","MoKα","","0.0417","0.0365","","","0.0818","0.0873","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021590","11.612","0.0008","12.0439","0.0008","15.4007","0.001","71.055","0.001","82.179","0.001","74.449","0.001","1959.8","0.2","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 F6 N2 O10 S2 -","- C39 H34 F6 N2 O10 S2 -","- C78 H68 F12 N4 O20 S4 -","2","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0674","0.0581","","","0.1622","0.1726","","","","","","1.037","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021591","10.3548","0.0005","10.9171","0.0005","23.6507","0.0012","90","","100.572","0.001","90","","2628.2","0.2","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F3 N O8 S -","- C26 H26 F3 N O8 S -","- C104 H104 F12 N4 O32 S4 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0594","0.0388","","","0.088","0.1001","","","","","","1.016","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4021592","17.3671","0.0006","9.9897","0.0004","21.4536","0.0008","90","","107.871","0.001","90","","3542.4","0.2","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H35 F3 N2 O7 S -","- C38 H35 F3 N2 O7 S -","- C152 H140 F12 N8 O28 S4 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0752","0.0448","","","0.0951","0.1122","","","","","","1.028","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021593","36.9551","0.0017","7.1733","0.0003","27.3839","0.0013","90","","129.196","0.001","90","","5625.8","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 F3 N2 O7 S -","- C27 H29 F3 N2 O7 S -","- C216 H232 F24 N16 O56 S8 -","8","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0745","0.0535","","","0.1267","0.1399","","","","","","1.047","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021594","5.9464","0.0004","27.0732","0.0016","11.6485","0.0007","90","","97.713","0.001","90","","1858.3","0.2","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0559","0.041","","","0.0976","0.1067","","","","","","1.02","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021595","17.154","0.002","11.0034","0.0015","9.1402","0.0013","90","","99.719","0.002","90","","1700.5","0.4","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0842","0.0603","","","0.1469","0.1625","","","","","","1.08","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021596","14.2781","0.0006","7.141","0.0003","25.8872","0.001","90","","102.004","0.001","90","","2581.74","0.18","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 N O5 -","- C31 H29 N O5 -","- C124 H116 N4 O20 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Contiguous Quaternary Carbon Stereocenters by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2600","2608","10.1021/jo0523363","","","0.71073","MoKα","","0.0795","0.041","","","0.0866","0.1062","","","","","","1.026","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021597","12.552","0.002","20.667","0.004","17.58","0.003","90","","110.226","0.003","90","","4279.3","1.2","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 N2 O4 Si2 -","- C46 H56 N2 O4 Si2 -","- C184 H224 N8 O16 Si8 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Contiguous Quaternary Carbon Stereocenters by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2600","2608","10.1021/jo0523363","","","0.71073","MoKα","","0.0818","0.0673","","","0.1687","0.1795","","","","","","1.125","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021598","10.2084","0.0005","11.64","0.0006","13.0573","0.0006","110.317","0.001","97.001","0.001","113.599","0.001","1270.4","0.11","158","2","158","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 N2 O2 -","- C34 H30 N2 O2 -","- C68 H60 N4 O4 -","2","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Contiguous Quaternary Carbon Stereocenters by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2600","2608","10.1021/jo0523363","","","0.71073","MoKα","","0.0626","0.0422","","","0.0975","0.1054","","","","","","1.04","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021599","22.432","0.005","17.535","0.005","14.577","0.005","90","0.005","106.457","0.005","90","0.005","5499","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H62 Cl2 N2 O9 -","- C65 H62 Cl2 N2 O9 -","- C260 H248 Cl8 N8 O36 -","4","1","","Menozzi, Edoardo; Busi, Marco; Massera, Chiara; Ugozzoli, Franco; Zuccaccia, Daniele; Macchioni, Alceo; Dalcanale, Enrico","Metal-Directed Self-Assembly of Cavitand Frameworks","Journal of Organic Chemistry","2006","71","7","2617","2624","10.1021/jo052460m","","","1.54184","CuKα","","0.1007","0.0738","","","0.2124","0.2323","","","","","","1.051","","","","has coordinates","219239","2020-10-21","18:00:00",""
"4021600","23.56","0.08","8.59","0.03","17.47","0.06","90","","129","0.1","90","","2746","16","123.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C144 H120 N24 O16 -","8","1","","Kazuhiro Igarashi; Yohei Yamaguchi; Yuhki Mitsumoto; Shin-ichi Naya; Makoto Nitta","Synthesis, Properties, and NAD^+^-NADH-Type Redox Ability of 14-Substituted 1,3-Dimethyl-5,10-methanocycloundeca[4,5]pyrrolo [2,3-d]pyrimidine-2,4(1,3H)-dionylium Tetrafluoroborates and Their Hydride Adducts","Journal of Organic Chemistry","2006","71","","2690","2698","10.1021/jo052495m","","","0.7107","MoKα","","","0.089","","","","0.13","","","","","","1.152","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021601","7.481","0.003","10.144","0.004","12.684","0.005","88.68","0.03","87.48","0.03","113.86","0.03","878.6","0.6","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 B F4 N3 O2 -","- C19 H18 B F4 N3 O2 -","- C38 H36 B2 F8 N6 O4 -","2","1","","Kazuhiro Igarashi; Yohei Yamaguchi; Yuhki Mitsumoto; Shin-ichi Naya; Makoto Nitta","Synthesis, Properties, and NAD^+^-NADH-Type Redox Ability of 14-Substituted 1,3-Dimethyl-5,10-methanocycloundeca[4,5]pyrrolo [2,3-d]pyrimidine-2,4(1,3H)-dionylium Tetrafluoroborates and Their Hydride Adducts","Journal of Organic Chemistry","2006","71","","2690","2698","10.1021/jo052495m","","","0.7107","MoKα","","","0.033","","","","0.046","","","","","","1.267","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021602","17.01","0.02","8.178","0.008","21.42","0.02","90","","90","","90","","2980","5","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C152 H152 N24 O16 -","8","1","","Kazuhiro Igarashi; Yohei Yamaguchi; Yuhki Mitsumoto; Shin-ichi Naya; Makoto Nitta","Synthesis, Properties, and NAD^+^-NADH-Type Redox Ability of 14-Substituted 1,3-Dimethyl-5,10-methanocycloundeca[4,5]pyrrolo [2,3-d]pyrimidine-2,4(1,3H)-dionylium Tetrafluoroborates and Their Hydride Adducts","Journal of Organic Chemistry","2006","71","","2690","2698","10.1021/jo052495m","","","0.7107","MoKα","","","0.038","","","","0.045","","","","","","1.018","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021603","9.4851","0.0005","9.7208","0.0005","14.4288","0.0008","90","","107.39","0.003","90","","1269.57","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O2 S2 -","- C12 H20 O2 S2 -","- C48 H80 O8 S8 -","4","1","","Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley","Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds","Journal of Organic Chemistry","2006","71","","2715","2725","10.1021/jo052514s","","","0.71073","MoKα","","0.086","0.0757","","","0.1889","0.1964","","","","","","1.049","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021604","7.6871","0.0003","16.3111","0.0006","18.5766","0.0009","90","","90","","90","","2329.23","0.17","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H18 O2 S2 -","- C11 H18 O2 S2 -","- C88 H144 O16 S16 -","8","1","","Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley","Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds","Journal of Organic Chemistry","2006","71","","2715","2725","10.1021/jo052514s","","","0.71073","MoKα","","0.0616","0.0446","","","0.0988","0.1069","","","","","","1.054","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021605","9.7096","0.0002","9.007","0.0003","12.966","0.0003","90","","110.406","0.002","90","","1062.77","0.05","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O2 S2 -","- C10 H14 O2 S2 -","- C40 H56 O8 S8 -","4","1","","Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley","Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds","Journal of Organic Chemistry","2006","71","","2715","2725","10.1021/jo052514s","","","0.71073","MoKα","","0.0408","0.038","","","0.1112","0.1142","","","","","","1.101","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021606","10.556","","10.556","","16.477","","90","","90","","120","","1590","","180","2","180","2","","","","","","","","5","P 31","P 31","144","","","","- C19 H29 N O3 S3 -","- C19 H29 N O3 S3 -","- C57 H87 N3 O9 S9 -","3","1","","Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley","Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds","Journal of Organic Chemistry","2006","71","","2715","2725","10.1021/jo052514s","","","0.71073","MoKα","","0.0435","0.038","","","0.1063","0.113","","","","","","1.174","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021607","13.91","0.005","13.723","0.005","14.141","0.005","90","","107.326","0.006","90","","2577","1.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 B F2 N3 O4 -","- C27 H24 B F2 N3 O4 -","- C108 H96 B4 F8 N12 O16 -","4","0.5","","Xin Qi; Eun Jin Jun; Li Xu; Sung-Jin Kim; Jay Sung Joong Hong; Yeo Joon Yoon; Juyoung Yoon","New BODIPY Derivatives as OFF-ON Fluorescent Chemosensor and Fluorescent Chemodosimeter for Cu^2+^: Cooperative Selectivity Enhancement toward Cu^2+^","Journal of Organic Chemistry","2006","71","","2881","2884","10.1021/jo052542a","","","0.71073","MoKα","","0.0844","0.0733","","","0.2197","0.2305","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021608","14.3644","0.0011","7.036","0.0006","21.5242","0.0018","90","","90.866","0.002","90","","2175.2","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 B F2 N3 O2 -","- C23 H22 B F2 N3 O2.01 -","- C92 H88 B4 F8 N12 O8.04 -","4","1","","Xin Qi; Eun Jin Jun; Li Xu; Sung-Jin Kim; Jay Sung Joong Hong; Yeo Joon Yoon; Juyoung Yoon","New BODIPY Derivatives as OFF-ON Fluorescent Chemosensor and Fluorescent Chemodosimeter for Cu^2+^: Cooperative Selectivity Enhancement toward Cu^2+^","Journal of Organic Chemistry","2006","71","","2881","2884","10.1021/jo052542a","","","0.71073","MoKα","","0.0896","0.063","","","0.1881","0.2111","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021609","7.365","0.0015","12.969","0.003","9.831","0.002","90","","96.68","0.03","90","","932.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C38 H48 N4 O6 -","2","1","","Dusan Hesek; Bruce C. Noll; Shahriar Mobashery","Side Reaction of Significance in Preparation of Peptide- or Peptidomimetic-Based Hydroxamate Enzyme Inhibitors","Journal of Organic Chemistry","2006","71","","2885","2887","10.1021/jo052546f","","","0.71073","MoKα","","0.0303","0.0301","","","0.0845","0.0849","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021610","11.208","0.004","13.751","0.001","11.681","0.002","90","","108.96","0.02","90","","1702.6","0.7","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 F6 O -","- C20 H20 F6 O -","- C80 H80 F24 O4 -","4","1","","Julia Leuger; Gaëlle Blond; Roland Fröhlich; Thierry Billard; Günter Haufe; Bernard R. Langlois","Synthetic Applications of α-Fluoroalkylated Enones. 1. Use as Dienophiles in Diels-Alder Cycloadditions","Journal of Organic Chemistry","2006","71","","2735","2739","10.1021/jo052567+","","","1.54178","CuKα","","0.0748","0.046","","","0.1304","0.1425","","","","","","1.004","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021611","7.985","0.002","11.404","0.002","12.996","0.003","113.74","0.03","92.24","0.03","104.11","0.03","1038","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","10-benzyloxy-1,2,3-trimethoxy-6,7-(methylene-1,3-dioxy) anthracene","","- C25 H22 O6 -","- C25 H22 O6 -","- C50 H44 O12 -","2","1","","Piotr Bałczewski; Marek Koprowski; Agnieszka Bodzioch; Bernard Marciniak; Ewa Róžycka-Sokołowska","Unusual Transformation of the Diarylmethanol Derivative into an Unknown 1,2,3,6,7,10-Hexahydroxylated Anthracene System","Journal of Organic Chemistry","2006","71","","2899","2902","10.1021/jo052599x","","","1.5418","CuKα","","0.0609","0.0549","","","0.1484","0.1548","","","","","","1.056","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021612","12.252","0.004","13.211","0.004","17.676","0.005","90","","102.16","0.02","90","","2796.9","1.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 N4 O3 S -","- C27 H40 N4 O3 S -","- C108 H160 N16 O12 S4 -","4","1","","Alexey P. Ilyn; Marina V. Loseva; Vladimir Y. Vvedensky; Elena B. Putsykina; Sergey E. Tkachenko; Dmitri V. Kravchenko; Alexandr V. Khvat; Mikhail Y. Krasavin; Alexandre V. Ivachtchenko","One-Step Assembly of Carbamoyl-Substituted Heteroannelated [1,4]Thiazepines","Journal of Organic Chemistry","2006","71","","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.1816","0.0467","","","0.0835","0.0922","","","","","","0.867","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021613","12.193","0.0014","12.6276","0.0016","15.837","0.002","90","","99.091","0.003","90","","2407.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 N3 O4 S -","- C26 H29 N3 O4 S -","- C104 H116 N12 O16 S4 -","4","1","","Alexey P. Ilyn; Marina V. Loseva; Vladimir Y. Vvedensky; Elena B. Putsykina; Sergey E. Tkachenko; Dmitri V. Kravchenko; Alexandr V. Khvat; Mikhail Y. Krasavin; Alexandre V. Ivachtchenko","One-Step Assembly of Carbamoyl-Substituted Heteroannelated [1,4]Thiazepines","Journal of Organic Chemistry","2006","71","","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.0912","0.0531","","","0.1016","0.1108","","","","","","1.071","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021614","10.96","0.002","11.071","0.0019","11.696","0.002","78.064","0.006","67.686","0.005","72.148","0.006","1243.1","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N3 O3 S2 -","- C28 H27 N3 O3 S2 -","- C56 H54 N6 O6 S4 -","2","1","","Alexey P. Ilyn; Marina V. Loseva; Vladimir Y. Vvedensky; Elena B. Putsykina; Sergey E. Tkachenko; Dmitri V. Kravchenko; Alexandr V. Khvat; Mikhail Y. Krasavin; Alexandre V. Ivachtchenko","One-Step Assembly of Carbamoyl-Substituted Heteroannelated [1,4]Thiazepines","Journal of Organic Chemistry","2006","71","","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.0862","0.0589","","","0.1203","0.1284","","","","","","1.062","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021615","8.7276","0.0001","10.6514","0.0001","21.8479","0.0002","90","","90","","90","","2031.01","0.04","293","2","293","2","","","","","","","synthesized by the authors, see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N O7 P -","- C16 H28 N O7 P -","- C64 H112 N4 O28 P4 -","4","1","","Stephen Hanessian; Cécile Gauchet; Guillaume Charron; Julien Marin; Philippe Nakache","Design and Synthesis of Diversely Substituted Azacyclic Inhibitors of Endothelin Converting Enzyme","Journal of Organic Chemistry","2006","71","","2760","2778","10.1021/jo052649y","","","1.54184","CuKα","","0.0481","0.046","","0.1286","","0.1264","","","1.016","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021616","10.106","0.003","10.272","0.004","19.673","0.006","90","","90","","90","","2042.2","1.2","293","2","293","2","","","","","","","synthesized by the authors, see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N O7 P -","- C16 H28 N O7 P -","- C64 H112 N4 O28 P4 -","4","1","","Stephen Hanessian; Cécile Gauchet; Guillaume Charron; Julien Marin; Philippe Nakache","Design and Synthesis of Diversely Substituted Azacyclic Inhibitors of Endothelin Converting Enzyme","Journal of Organic Chemistry","2006","71","","2760","2778","10.1021/jo052649y","","","1.54184","CuKα","","0.039","0.0369","","0.103","","0.1015","","","1.041","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021617","12.4409","0.0002","6.8426","0.0001","19.0551","0.0003","90","","93.003","0.001","90","","1619.9","0.04","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C32 H43 N2 O9 P -","- C32 H43 N2 O9 P -","- C64 H86 N4 O18 P2 -","2","1","","Stephen Hanessian; Cécile Gauchet; Guillaume Charron; Julien Marin; Philippe Nakache","Design and Synthesis of Diversely Substituted Azacyclic Inhibitors of Endothelin Converting Enzyme","Journal of Organic Chemistry","2006","71","","2760","2778","10.1021/jo052649y","","","1.54178","CuKα","","0.0707","0.0601","","","0.1449","0.1498","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021618","7.3743","0.0009","10.88","0.0013","13.1998","0.0016","86.359","0.002","78.295","0.002","78.992","0.002","1017.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Br N O4 -","- C22 H28 Br N O4 -","- C44 H56 Br2 N2 O8 -","2","1","","Douglass F. Taber; Karen V. Taluskie","Computationally Guided Organometallic Chemistry: Preparation of the Heptacyclic Pyrazine Core of Ritterazine N","Journal of Organic Chemistry","2006","71","","2797","2801","10.1021/jo052656m","","","0.71073","MoKα","","0.0574","0.0492","","","0.1235","0.1271","","","","","","1.115","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021619","10.356","0.004","14.18","0.006","14.807","0.005","102.64","0.04","103.02","0.04","110.17","0.04","1880.9","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H48 O14 -","- C40 H48 O14 -","- C80 H96 O28 -","2","1","","Katja Närhi; Johan Franzén; Jan-E. Bäckvall","An Unexpectedly Mild Thermal Alder-Ene-Type Cyclization of Enallenes","Journal of Organic Chemistry","2006","71","","2914","2917","10.1021/jo060013g","","","0.71073","MoKα","","0.0926","0.0519","","","0.137","0.1573","","","","","","0.957","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021620","6.3295","0.0016","11.365","0.003","13.908","0.003","90","","90","","90","","1000.5","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","6-Amino-3-(β-D-2-deoxy-erythrofuranosyl)-2-fluuoropyridine","(2R,3R,5R)-5-(6-amino-2-fluoropyridin-3-yl)- tetrahydro-2-(hydroxymethyl)furan-3-ol","","- C10 H13 F N2 O3 -","- C10 H13 F N2 O3 -","- C40 H52 F4 N8 O12 -","4","1","","Zhenhua Sun; Shahadat Ahmed; Larry W. McLaughlin","Syntheses of Pyridine C-Nucleosides as Analogues of the Natural Nucleosides dC and dU","Journal of Organic Chemistry","2006","71","","2922","2925","10.1021/jo060066y","","x-ray","0.71073","MoKα","","0.0359","0.0334","","","","0.0812","","","","","","0.994","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021621","11.587","0.003","5.6641","0.0012","11.939","0.002","90","","96.922","0.004","90","","777.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 F3 O5 -","- C14 H17 F3 O5 -","- C28 H34 F6 O10 -","2","1","","Hua Wang; Xiaoming Zhao; Youhua Li; Long Lu","Asymmetric Synthesis of Four Isomers of 2-C-Trifluoromethylerythritol","Journal of Organic Chemistry","2006","71","","3278","3281","10.1021/jo052282x","","","0.71073","MoKα","","0.1372","0.0652","","","0.1564","0.2067","","","","","","0.772","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021622","7.3581","0.0007","6.781","0.0007","11.7266","0.0012","90","","102.121","0.005","90","","572.06","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 N O3 -","- C12 H17 N O3 -","- C24 H34 N2 O6 -","2","1","","Horacio F. Olivo; Ricardo Tovar-Miranda; Efraín Barragán","Synthesis of (-)-Stemoamide Using a Stereoselective anti-Aldol Step","Journal of Organic Chemistry","2006","71","","3287","3290","10.1021/jo052364l","","","0.71073","MoKα","","0.0512","0.0478","","","0.1223","0.1247","","","","","","1.257","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021623","11.6786","0.0014","24.579","0.003","10.7047","0.0012","90","","95.713","0.005","90","","3057.5","0.6","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 N5 O4 -","- C32 H43 N5 O4 -","- C128 H172 N20 O16 -","4","1","","Monika Mazik; Hüseyin Cavga","Carboxylate-Based Receptors for the Recognition of Carbohydrates in Organic and Aqueous Media","Journal of Organic Chemistry","2006","71","","2957","2963","10.1021/jo052479p","","","0.71073","MoKα","","0.0998","0.0525","","","0.1222","0.1385","","","","","","0.938","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021624","7.773","0.0008","11.172","0.001","16.251","0.004","90","","90","","90","","1411.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl O4 -","- C14 H19 Cl O4 -","- C56 H76 Cl4 O16 -","4","1","","Vishwakarma Singh; Shantanu Pal; Shaikh M. Mobin","Cycloaddition between Electron-Deficient π-Systems, Photochemical and Radical-Induced Reactions: A Novel, General, and Stereoselective Route to Polyfunctionalized Bridged Bicyclo[2.2.2]octanes, Bicyclo[3.3.0]octanes, Bicyclo[4.2.0]octanes, and Tricyclo[4.3.1.0^3,7^]decanes","Journal of Organic Chemistry","2006","71","","3014","3025","10.1021/jo052544v","","","0.71073","MoKα","","0.0527","0.0351","","","0.0848","0.0938","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021625","8.1942","0.0006","8.9362","0.0006","13.4442","0.0009","93.782","0.001","93.303","0.001","116.375","0.001","875.88","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C46 H40 O4 -","2","1","","Chunmei Gao; Derong Cao; Sheyang Xu; Herbert Meier","Acid-Catalyzed Cyclization of Anthracenol Derivatives to Homotriptycenes","Journal of Organic Chemistry","2006","71","","3071","3076","10.1021/jo0526791","","","0.71073","MoKα","","0.0716","0.0424","","","0.101","0.1156","","","","","","1.013","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021626","13.122","0.003","8.981","0.0018","10.755","0.002","90","","123.76","0.03","90","","1053.7","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 I2 -","- C8 H10 I2 -","- C32 H40 I8 -","4","0.5","","Zhenfeng Xi; Zhiyi Song; Guangzhen Liu; Xiaozhong Liu; Tamotsu Takahashi","Preparation of Partially Substituted 1-Halo- and 1,4-Dihalo-1,3-dienes via Reagent-Controlled Desilylation of Halogenated 1,3-Dienes","Journal of Organic Chemistry","2006","71","","3154","3158","10.1021/jo060003f","","","0.71073","MoKα","","0.0839","0.0512","","","0.1425","0.1575","","","","","","0.991","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021627","7.6944","0.0015","15.719","0.003","25.11","0.005","90","","90","","90","","3037.2","1","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C16 H12 I2 -","- C16 H12 I2 -","- C128 H96 I16 -","8","1","","Zhenfeng Xi; Zhiyi Song; Guangzhen Liu; Xiaozhong Liu; Tamotsu Takahashi","Preparation of Partially Substituted 1-Halo- and 1,4-Dihalo-1,3-dienes via Reagent-Controlled Desilylation of Halogenated 1,3-Dienes","Journal of Organic Chemistry","2006","71","","3154","3158","10.1021/jo060003f","","","0.71073","MoKα","","0.0667","0.0365","","","0.073","0.0793","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021628","13.345","0.003","8.431","0.004","41.094","0.004","90","","90","","90","","4624","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H25 B F2 N4 O4 -","- C23 H25 B F2 N4 O4 -","- C184 H200 B8 F16 N32 O32 -","8","1","","Raymond Ziessel; Laure Bonardi; Pascal Retailleau; Gilles Ulrich","Isocyanate-, Isothiocyanate-, Urea-, and Thiourea-Substituted Boron Dipyrromethene Dyes as Fluorescent Probes","Journal of Organic Chemistry","2006","71","","3093","3102","10.1021/jo0600151","","x-ray","1.5418","Cukα","","0.076","0.051","","","0.1363","0.1529","","","","","","1.035","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021629","11.4564","0.0004","11.4564","0.0004","16.2373","0.0012","90","","90","","120","","1845.61","0.16","298","2","298","2","","","","","","","","6","P 32","P 32","145","","","","- C23 H24 F5 N O4 S2 -","- C23 H24 F5 N O4 S2 -","- C69 H72 F15 N3 O12 S6 -","3","1","","Jeremy P. Scott; Steven F. Oliver; Karel M. J. Brands; Sarah E. Brewer; Antony J. Davies; Andrew D. Gibb; David Hands; Stephen P. Keen; Faye J. Sheen; Robert A. Reamer; Robert D. Wilson; Ulf-H. Dolling","Practical Asymmetric Synthesis of a γ-Secretase Inhibitor Exploiting Substrate-Controlled Intramolecular Nitrile Oxide-Olefin Cycloaddition","Journal of Organic Chemistry","2006","71","","3086","3092","10.1021/jo060033i","","","0.71073","MoKα","","0.0617","0.0456","","","0.1025","0.1104","","","","","","1.031","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021630","8.367","0.005","11.281","0.007","13.2","0.005","65.18","0.04","79.23","0.04","69.25","0.04","1056.5","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","PYRENE AMINO ACID","N-(1-pyrenyl)-2-aminobenzoic acid","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Christian Wolf; Shuanglong Liu; Xuefeng Mei; Adam T. August; Michael D. Casimir","Regioselective Copper-Catalyzed Amination of Bromobenzoic Acids Using Aliphatic and Aromatic Amines","Journal of Organic Chemistry","2006","71","","3270","3273","10.1021/jo060034a","","","0.71073","MoKα","","0.081","0.0504","","","0.1295","0.1393","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021631","13.7819","0.0002","16.2114","0.0002","18.7744","0.0003","71.381","0.005","87.314","0.005","85.678","0.005","3962.7","0.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 N4 Ni O2 -","- C54 H36 N4 Ni O2 -","- C216 H144 N16 Ni4 O8 -","4","2","","Christophe Jeandon; Romain Ruppert; Henry J. Callot","Acylation of Nickel meso-Tetraarylporphyrins: Porphyrin to Corrole Ring Contraction and Formation of seco-Porphyrins","Journal of Organic Chemistry","2006","71","","3111","3120","10.1021/jo0600499","","","0.71073","Mo-Kα","","0.121","0.046","","0.187","","0.063","","","3.434","","","1.071","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021632","16.52","0.0006","18.257","0.0009","14.923","0.0009","90","","114.974","0.002","90","","4080","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H38 N4 Ni O2 -","- C55 H38 N4 Ni O2 -","- C220 H152 N16 Ni4 O8 -","4","1","","Christophe Jeandon; Romain Ruppert; Henry J. Callot","Acylation of Nickel meso-Tetraarylporphyrins: Porphyrin to Corrole Ring Contraction and Formation of seco-Porphyrins","Journal of Organic Chemistry","2006","71","","3111","3120","10.1021/jo0600499","","","0.71073","MoKα","","0.13","0.0828","","","0.1559","0.1742","","","","","","1.061","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021633","7.4498","0.0003","10.6899","0.0004","11.6023","0.0003","90","","90","","90","","923.98","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ferrocenyl azide","","- C10 H9 Fe N3 -","- C10 H9 Fe N3 -","- C40 H36 Fe4 N12 -","4","1","","Peter Walla; Vladimir B. Arion; Udo H. Brinker","Solvent- and Temperature-Tuned Orientation of Ferrocenyl Azide Inside β-Cyclodextrin","Journal of Organic Chemistry","2006","71","","3274","3277","10.1021/jo060102t","","","0.71073","MoKα","","0.0153","0.0148","","","0.039","0.0392","","","","","","1.067","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021634","28.769","0.005","7.5895","0.0013","21.58","0.004","90","","101.375","0.003","90","","4619.4","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr O4 -","- C12 H10 Cr O4 -","- C192 H160 Cr16 O64 -","16","2","","Hechun Lin; Qian Chen; Lidong Cao; Li Yang; Yun-Dong Wu; Chaozhong Li","Effect of M(CO)~3~ (M = Cr, Mn^+^) on Aromatic C-Cl BDE in (η-ArCl)M(CO)~3~ Complexes","Journal of Organic Chemistry","2006","71","","3328","3331","10.1021/jo060154i","","","0.71073","MoKα","","0.108","0.0532","","","0.0971","0.1116","","","","","","0.818","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021635","12.035","0.002","9.5555","0.0018","13.675","0.003","90","","110.512","0.003","90","","1472.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cr N O3 -","- C15 H15 Cr N O3 -","- C60 H60 Cr4 N4 O12 -","4","1","","Hechun Lin; Qian Chen; Lidong Cao; Li Yang; Yun-Dong Wu; Chaozhong Li","Effect of M(CO)~3~ (M = Cr, Mn^+^) on Aromatic C-Cl BDE in (η-ArCl)M(CO)~3~ Complexes","Journal of Organic Chemistry","2006","71","","3328","3331","10.1021/jo060154i","","","0.71073","MoKα","","0.1432","0.0565","","","0.1234","0.1435","","","","","","0.769","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021636","5.6458","0.0002","14.9698","0.0004","22.167","0.0006","90","","90","","90","","1873.48","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Albert Padwa; Qiu Wang","Rhodium(I)-Catalyzed Nucleophilic Ring-Opening Reactions of Oxabicyclo Adducts Derived from the [4 + 2]-Cycloaddition of 2-Imido-Substituted Furans","Journal of Organic Chemistry","2006","71","","3210","3220","10.1021/jo060238r","","","1.54178","CuKα","","0.0365","0.0318","","","0.0813","0.0879","","","","","","1.148","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021637","10.9426","0.0002","5.4801","0.0001","27.9676","0.0006","90","","97.52","0.002","90","","1662.7","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Albert Padwa; Qiu Wang","Rhodium(I)-Catalyzed Nucleophilic Ring-Opening Reactions of Oxabicyclo Adducts Derived from the [4 + 2]-Cycloaddition of 2-Imido-Substituted Furans","Journal of Organic Chemistry","2006","71","","3210","3220","10.1021/jo060238r","","","1.54178","CuKα","","0.0525","0.0453","","","0.1644","0.1919","","","","","","1.068","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021638","15.969","0.0016","5.852","0.0006","21.143","0.002","90","","109.744","0.004","90","","1859.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 B N O5 -","- C19 H22 B N O5 -","- C76 H88 B4 N4 O20 -","4","1","","Albert Padwa; Qiu Wang","Rhodium(I)-Catalyzed Nucleophilic Ring-Opening Reactions of Oxabicyclo Adducts Derived from the [4 + 2]-Cycloaddition of 2-Imido-Substituted Furans","Journal of Organic Chemistry","2006","71","","3210","3220","10.1021/jo060238r","","","1.54178","CuKα","","0.0971","0.0662","","","0.1579","0.1729","","","","","","1.105","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021639","8.8777","0.0002","9.1491","0.0002","17.359","0.0004","90","","90","","90","","1409.95","0.05","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0544","0.0416","","0.0533","","0.051","","","1.314","","","1.446","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021640","7.561","0.0002","16.2981","0.0004","17.611","0.0005","90","","90","","90","","2170.2","0.09","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0624","0.0393","","0.0451","","0.0403","","","0.955","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021641","7.7972","0.0001","8.4637","0.0001","18.482","0.0004","90","","90","","90","","1219.69","0.03","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0594","0.041","","0.0512","","0.048","","","1.202","","","1.321","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021642","5.7154","0.0004","28.899","0.002","7.9525","0.0006","90","","101.967","0.003","90","","1285","0.2","200","","200","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.1643","0.0729","","0.0807","","0.0672","","","1.689","","","1.898","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021643","14.4024","0.0003","6.3863","0.0001","18.4534","0.0005","90","","105.924","0.001","90","","1632.18","0.06","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0672","0.0444","","0.06","","0.0554","","","1.27","","","1.455","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021644","8.0557","0.0001","12.5","0.0002","19.094","0.0004","91.8994","0.0007","96.6238","0.0007","103.216","0.0009","1855.75","0.05","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C78 H84 N12 O12 -","6","3","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.1299","0.0436","","0.0575","","0.0423","","","0.929","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021645","6.4005","0.0002","9.6092","0.0003","16.9445","0.0007","97.81","0.001","93.968","0.001","91.459","0.003","1029.37","0.06","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C48 H62 N2 O6 -","2","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0992","0.0399","","0.0539","","0.0426","","","0.93","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021646","7.6385","0.0001","11.8594","0.0001","29.2414","0.0004","90","","90","","90","","2648.92","0.05","200","","200","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H37 N O3 -","- C29 H37 N O3 -","- C116 H148 N4 O12 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.71073","MoKα","","","0.0353","","","","0.0381","","","","","","1.0422","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021647","12.7675","0.0001","15.2014","0.0001","19.6121","0.0002","90","","90","","90","","3806.39","0.06","200","","200","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H60 N2 O5 S -","- C39 H60 N2 O5 S -","- C156 H240 N8 O20 S4 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.71073","MoKα","","0.0517","0.0276","","0.0385","0.0307","0.0307","","","","","","1.126","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021648","9.1846","0.0005","12.2299","0.0007","13.6313","0.0008","90","","90","","90","","1531.16","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C56 H100 N4 O24 -","4","1","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.0587","0.05","","","0.1282","0.1357","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021649","9.2158","0.0004","9.2268","0.0004","36.499","0.0016","90","","90","","90","","3103.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C112 H200 N8 O48 -","8","2","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.079","0.0576","","","0.1317","0.1441","","","","","","1.112","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021650","10.0458","0.0005","15.1747","0.0008","20.8717","0.0011","90","","90","","90","","3181.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C112 H200 N8 O48 -","8","2","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.1008","0.0574","","","0.1263","0.1462","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021651","11.7344","0.0007","13.0317","0.0008","10.7158","0.0006","90","","90","","90","","1638.65","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 N O7 -","- C14 H25 N O7 -","- C56 H100 N4 O28 -","4","1","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.0756","0.0628","","","0.1485","0.1573","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021652","5.5578","0.0005","14.2895","0.0012","8.6246","0.0007","90","","102.443","0.002","90","","668.9","0.1","150","","150","","","","","","","","?","3","P 1 21/n 1","-P 2yn","14","","","","- C2 Cl4 O2 -","- C2 Cl4 O2 -","- C8 Cl16 O8 -","4","1","","Valeria B. Arce; Carlos O. Della Védova; Anthony J. Downs; Simon Parsons; Rosana M. Romano","Trichloromethyl Chloroformate (""Diphosgene""), ClC(O)OCCl~3~: Structure and Conformational Properties in the Gaseous and Condensed Phases","Journal of Organic Chemistry","2006","71","","3423","3428","10.1021/jo052260a","","","0.71073","MoKα","","","0.0248","","","","0.0271","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021653","11.073","0.002","11.844","0.002","17.13","0.003","106.076","0.003","99.448","0.003","90.43","0.003","2126.1","0.7","298","2","298","2","","","","","","","","5","P 1","P 1","1","","Methyl-4-O-(2,3-di-O-benzyl-4,6-O-[1-cyano-2-(2-iodophenyl)] ethylidene-β-D-mannopyranosyl)-2,3-O-isopropylidene-α-L-rhamnopyranoside","","- C47 H52 I N10 O12 -","- C43 H53.5 I N O11 -","- C86 H107 I2 N2 O22 -","2","2","","David Crich; Albert A. Bowers","4,6-O-[1-Cyano-2-(2-iodophenyl)ethylidene] Acetals. Improved Second-Generation Acetals for the Stereoselective Formation of β-D-Mannopyranosides and Regioselective Reductive Radical Fragmentation to β-D-Rhamnopyranosides. Scope and Limitations","Journal of Organic Chemistry","2006","71","","3452","3463","10.1021/jo0526688","","","0.71073","MoKα","","0.128","0.0686","","","0.1384","0.1656","","","","","","0.909","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021654","9.519","0.008","11.715","0.014","14.964","0.005","104.5","0.06","106.22","0.04","100.07","0.09","1497","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(1SR,2RS,3RS,3aSR,8aSR)-5,6,5,6-tetramethoxy-1,3-di(4-pyridyl)- 3a,8a-dihydrospiro{cyclopenta[a]indene-2,2(1H,3H)-indene}-1,8(3H)-dione","","- C34 H32 N2 O7 -","- C34 H30 N2 O7 -","- C68 H60 N4 O14 -","2","1","","Pelayo Camps; Luis R. Domingo; Xavier Formosa; Carles Galdeano; Diana González; Diego Muñoz-Torrero; Sílvia Segalés; Mercè Font-Bardia; Xavier Solans","Highly Diastereoselective One-Pot Synthesis of Spiro{cyclopenta[a]indene-2,2'-indene}diones from 1-Indanones and Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","3464","3471","10.1021/jo0600095","","","0.71069","MoKα","","0.6403","0.0486","","","0.057","0.1663","","","","","","0.671","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021655","11.904","0.005","21.892","0.011","11.857","0.008","90","","106.53","0.03","90","","2962","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1SR,2RS,3RS,3aSR,8aSR)-5,6,5,6-tetramethoxy-1,3-diphenyl- 3a,8a-dihydrospiro{cyclopenta[a]indene-2,2(1H,3H)indene}-1,8(3H)-dione","","- C36 H32 O6 -","- C36 H32 O6 -","- C144 H128 O24 -","4","1","","Pelayo Camps; Luis R. Domingo; Xavier Formosa; Carles Galdeano; Diana González; Diego Muñoz-Torrero; Sílvia Segalés; Mercè Font-Bardia; Xavier Solans","Highly Diastereoselective One-Pot Synthesis of Spiro{cyclopenta[a]indene-2,2'-indene}diones from 1-Indanones and Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","3464","3471","10.1021/jo0600095","","","0.71073","MoKα","","0.3089","0.0519","","","0.0516","0.0835","","","","","","0.811","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021656","20.518","0.006","14.615","0.005","15.355","0.007","90","","103.29","0.02","90","","4481","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1RS,2RS,3SR,3aSR,8aSR)-1,3-di(2-pyridyl)-3a,8a- dihydrospiro{cyclopenta[a]indene- 2,2(1H,3H)-indene}-1,8(3H)-dione","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C240 H176 N16 O16 -","8","2","","Pelayo Camps; Luis R. Domingo; Xavier Formosa; Carles Galdeano; Diana González; Diego Muñoz-Torrero; Sílvia Segalés; Mercè Font-Bardia; Xavier Solans","Highly Diastereoselective One-Pot Synthesis of Spiro{cyclopenta[a]indene-2,2'-indene}diones from 1-Indanones and Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","3464","3471","10.1021/jo0600095","","","0.71073","MoKα","","0.2293","0.0383","","","0.0373","0.0555","","","","","","0.769","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021657","12.426","0.009","17.622","0.005","10.968","0.009","90","","105.33","0.06","90","","2316","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1RS,2RS,3RS,3aSR,8aSR)-1,3-di(2-pyridyl)3a,8a- dihydrospiro{cyclopenta[a]indene-2,2(1H,3H)-indene}-1,8(3H)-dione","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C120 H88 N8 O8 -","4","1","","Pelayo Camps; Luis R. Domingo; Xavier Formosa; Carles Galdeano; Diana González; Diego Muñoz-Torrero; Sílvia Segalés; Mercè Font-Bardia; Xavier Solans","Highly Diastereoselective One-Pot Synthesis of Spiro{cyclopenta[a]indene-2,2'-indene}diones from 1-Indanones and Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","3464","3471","10.1021/jo0600095","","","0.71073","MoKα","","0.5684","0.0323","","","0.0331","0.12","","","","","","0.662","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021658","28.734","0.005","9.253","0.005","25.67","0.005","90","0.005","119.869","0.005","90","0.005","5918","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 O4 S Se Si -","- C30 H36 O4 S Se Si -","- C240 H288 O32 S8 Se8 Si8 -","8","1","","Philippe James; Kurt Schenk; Yannick Landais","Radical-Mediated 5-Exo-Trig Cyclizations of 3-Silylhepta-1,6-dienes","Journal of Organic Chemistry","2006","71","","3630","3633","10.1021/jo060024+","","","0.71069","MoKα","","0.1548","0.1419","","","0.4052","0.4093","","","","","","3.204","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021659","35.397","0.003","8.1002","0.0007","13.1578","0.0012","90","","93.618","0.002","90","","3765.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","04058a","","","- C18 H25 N O3 S2 -","- C18 H25 N O3 S2 -","- C144 H200 N8 O24 S16 -","8","1","","William G. O'Neal; William P. Roberts; Indranath Ghosh; Hui Wang; Peter A. Jacobi","Studies in Chlorin Chemistry. 3. A Practical Synthesis of C,D-Ring Symmetric Chlorins of Potential Utility in Photodynamic Therapy","Journal of Organic Chemistry","2006","71","","3472","3480","10.1021/jo060041z","","","0.71073","MoKα","","0.0686","0.0536","","","0.1351","0.1441","","","","","","1.11","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021660","22.3786","0.001","16.5405","0.0007","11.1443","0.0005","90","","103.305","0.001","90","","4014.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-[2,3-diphenyl-4-(2,2,2-trifluoroacetyl)piperazino]-2,2,2-trifluoro-1-ethanone","1-[2,3-diphenyl-4-(2,2,2-trifluoroacetyl)piperazino]-2,2,2-trifluoro-1-ethanone","","- C20 H16 F6 N2 O2 -","- C20 H16 F6 N2 O2 -","- C160 H128 F48 N16 O16 -","8","2","","Pothiappan Vairaprakash; Mariappan Periasamy","A Simple Method of Synthesis of (±)-2,3-Diarylpiperazines and a Novel Method of Resolution of (±)-2,3-Diphenylpiperazine","Journal of Organic Chemistry","2006","71","","3636","3638","10.1021/jo060083n","","","0.71073","MoKα","","0.158","0.0799","","","0.2291","0.2847","","","","","","1.02","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021661","9.2088","0.001","35.387","0.004","6.2519","0.0007","90","","90","","90","","2037.3","0.4","273","2","273","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(2S,3S)-2,3-diphenylhexahydropyrazinediium(2R,3R)-2,3-dihydroxybutanediote","(2S,3S)-2,3-diphenylhexahydropyrazinediium(2R,3R)-2,3-dihydroxybutanedioate","","- C20 H28 N2 O8 -","- C20 H28 N2 O8 -","- C80 H112 N8 O32 -","4","1","","Pothiappan Vairaprakash; Mariappan Periasamy","A Simple Method of Synthesis of (±)-2,3-Diarylpiperazines and a Novel Method of Resolution of (±)-2,3-Diphenylpiperazine","Journal of Organic Chemistry","2006","71","","3636","3638","10.1021/jo060083n","","","0.71073","MoKα","","0.0562","0.0483","","","0.1071","0.1108","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021662","9.841","0.0005","9.841","0.0005","22.1322","0.0013","90","","90","","120","","1856.24","0.17","293","2","293","2","","","","","","","","5","P 65","P 65","170","","R-2-Oxo-2-phenyl-benzo[c][1,2]thiazin-8-ol","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C84 H66 N6 O12 S6 -","6","1","","Michael Harmata; Nathan L. Calkins; Russell G. Baughman; Charles L. Barnes","New Chiral Benzothiazine Ligand and Its Use in the Synthesis of a Chiral Receptor","Journal of Organic Chemistry","2006","71","","3650","3652","10.1021/jo060175c","","","0.71073","MoKα","","0.0316","0.0273","","","0.0692","0.0712","","","","","","1.053","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021663","8.4357","0.0019","18.756","0.004","9.093","0.002","90","","110.79","0.004","90","","1345","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 N O5 P S -","- C30 H28 N O5 P S -","- C60 H56 N2 O10 P2 S2 -","2","1","","Michael Harmata; Nathan L. Calkins; Russell G. Baughman; Charles L. Barnes","New Chiral Benzothiazine Ligand and Its Use in the Synthesis of a Chiral Receptor","Journal of Organic Chemistry","2006","71","","3650","3652","10.1021/jo060175c","","","0.71073","MoKα","","0.0683","0.0546","","","0.1269","0.1357","","","","","","1.05","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021664","13.6913","0.0018","15.254","0.002","18.401","0.002","90","","90","","90","","3843.2","0.9","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Cd Cl2 I2 N3 O4 S2 -","- C36 H29 Cd Cl2 I2 N3 O4 S2 -","- C144 H116 Cd4 Cl8 I8 N12 O16 S8 -","4","1","","Michael Harmata; Nathan L. Calkins; Russell G. Baughman; Charles L. Barnes","New Chiral Benzothiazine Ligand and Its Use in the Synthesis of a Chiral Receptor","Journal of Organic Chemistry","2006","71","","3650","3652","10.1021/jo060175c","","","0.71073","MoKα","","0.0584","0.0393","","","0.07","0.0758","","","","","","1.024","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021665","9.7558","0.0009","9.0365","0.0009","26.814","0.003","90","","90","","90","","2363.8","0.4","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C128 H112 N16 -","8","1","","Norio Sakai; Kimiyoshi Annaka; Takeo Konakahara","Direct Synthesis of Polysubstituted Quinoline Derivatives by InBr~3~-Promoted Dimerization of 2-Ethynylaniline Derivatives","Journal of Organic Chemistry","2006","71","","3653","3655","10.1021/jo060245f","","","0.71073","MoKα","","0.0623","0.0526","","","0.1422","0.1714","","","","","","1.146","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021666","11.253","0.001","39.851","0.006","20.366","0.003","90","","94.469","0.003","90","","9105","2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-[9-Methyl-2-(4-phenoxy-phenyl)-6,7,8,9-tetrahydro- 5H-pyrido[2,3-b]azepin-4-yl]-benzonitrile","","- C29 H25 N3 O -","- C29 H25 N3 O -","- C464 H400 N48 O16 -","16","8","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.1726","0.0735","","","0.1356","0.1718","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021667","11.4985","0.0002","8.2319","0.0001","19.1003","0.0003","90","","95.956","0.001","90","","1798.17","0.05","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[6-(4-Methoxy-phenyl)-1-methyl-2,3-dihydro-1H-pyrrolo [2,3-b]pyridin-4-yl]-benzonitrile","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.0421","0.0324","","","0.0807","0.0879","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021668","6.9223","0.0004","11.9648","0.0007","18.529","0.001","90","","90","","90","","1534.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(4-Methoxy-phenyl)-1-methyl-4-pyrimidin-2-yl-2,3-1H-pyrrolo[2,3-b]pyrimidine","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C76 H72 N16 O4 -","4","1","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.0389","0.0379","","","0.1003","0.1013","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021669","11.415","0.003","10.313","0.003","18.66","0.005","90","","93.896","0.007","90","","2191.6","1.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[2-(4-Phenoxy-phenyl)-8-methyl-5,6,7,8-tetrahydro- [1,8]naphthyridin-4-yl]-benzonitrile","","- C28 H23 N3 O -","- C28 H23 N3 O -","- C112 H92 N12 O4 -","4","1","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.0551","0.0387","","","0.0937","0.1018","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021670","8.9544","0.0006","10.4943","0.0007","11.4673","0.0009","66.502","0.002","71.853","0.002","67.098","0.002","894.61","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxy-phenyl)-9-methyl-4-pyridin-2-yl-6,7,8,9- tetrahydro-5H-pyrido[2,3-b]azepine","","- C22 H23 N3 O -","- C22 H23 N3 O -","- C44 H46 N6 O2 -","2","1","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.0564","0.0404","","","0.1055","0.1131","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021671","30.991","0.0003","6.095","0.0001","26.505","0.0005","90","","125.089","0.0006","90","","4096.64","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N O4 -","- C22 H27 N O4 -","- C176 H216 N8 O32 -","8","1","","Alphonse Tenaglia; Sylvain Marc","CpRuCl(PPh~3~)~2~-Catalyzed Cyclopropanation of Bicyclic Alkenes with Tertiary Propargylic Acetates","Journal of Organic Chemistry","2006","71","","3569","3575","10.1021/jo060276a","","","0.71073","MoKα","","0.1255","0.0667","","","0.1846","0.2282","","","","","","1.032","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021672","9.7776","0.0005","13.6558","0.0005","9.8864","0.0005","90","","101.014","0.0006","90","","1295.7","0.1","173.2","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C34 H34 N2 -","- C34 H34 N2 -","- C68 H68 N4 -","2","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0505","","","","0.1505","","","","","","1.373","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021673","8.545","0.002","17.764","0.005","11.252","0.002","90","","110.089","0.003","90","","1604","0.7","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0452","","","","0.1084","","","","","","1.128","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021674","10.1556","0.0004","8.8798","0.0004","16.9199","0.0009","90","","89.478","0.001","90","","1525.8","0.1","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N O2 -","- C19 H20 N O2 -","- C76 H80 N4 O8 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0567","","","","0.139","","","","","","1.322","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021675","23.402","0.001","14.6147","0.0006","17.5801","0.0009","90","","137.473","0.0009","90","","4064.2","0.3","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C184 H216 N8 O32 -","8","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0462","","","","0.1365","","","","","","1.217","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021676","10.124","0.004","14.703","0.005","11.485","0.004","90","","110.43","0.02","90","","1602","3","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N O2 -","- C20 H20 N O2 -","- C80 H80 N4 O8 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0446","","","","0.1358","","","","","","1.334","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021677","10.9945","0.0008","15.532","0.001","19.61","0.001","90","","103.689","0.0009","90","","3253.5","0.4","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C39 H40 N2 O5 -","- C39 H40 N2 O5 -","- C156 H160 N8 O20 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.08","","","","0.2146","","","","","","1.769","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021678","10.5311","0.0005","11.2818","0.0007","13.3134","0.0007","90","0.003","108.86","0.002","90","0.003","1496.8","0.1","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N O2 -","- C19 H18 N O2 -","- C76 H72 N4 O8 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0634","","","","0.1805","","","","","","1.183","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021679","9.92","0.0002","13.896","0.0003","17.005","0.0005","87.986","0.001","79.848","0.001","79.04","0.002","2265.32","0.09","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O -","- C13 H20 O -","- C104 H160 O8 -","8","4","","Kao-Hsien Shen; Ching-Fa Yao","Novel and Efficient Method for the Allylation of Carbonyl Compounds and Imines Using Triallylaluminum","Journal of Organic Chemistry","2006","71","","3980","3983","10.1021/jo052385f","","","0.71073","MoKα","","0.1253","0.0599","","","0.1589","0.1955","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021680","9.909","0.0002","13.439","0.0002","22.069","0.0004","90","","93.59","0.0007","90","","2933.1","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O4 -","- C34 H36 O4 -","- C136 H144 O16 -","4","1","","Vito Capriati; Saverio Florio; Renzo Luisi; Filippo M. Perna; Antonio Salomone","Synthesis of 1,3-Dihydrobenzo[c]furans from Ortho-Lithiated Aryloxiranes","Journal of Organic Chemistry","2006","71","","3984","3987","10.1021/jo052645t","","","0.71073","MoKα","","0.1131","0.0878","","","0.2571","0.2771","","","","","","1.083","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021681","6.5866","0.0007","10.7519","0.0011","25.662","0.003","90","","90","","90","","1817.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F3 N O6 -","- C17 H18 F3 N O6 -","- C68 H72 F12 N4 O24 -","4","1","","Qi Chen; Xiao-Long Qiu; Feng-Ling Qing","Indium-Mediated Diastereoselective Allylation of D- and L-Glyceraldimines with 4-Bromo-1,1,1-trifluoro-2-butene: Highly Stereoselective Synthesis of 4,4,4-Trifluoroisoleucines and 4,4,4-Trifluorovaline","Journal of Organic Chemistry","2006","71","","3762","3767","10.1021/jo0601157","","","0.71073","MoKα","","0.0842","0.051","","","0.1079","0.1185","","","","","","0.83","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021682","9.2107","0.0012","10.4318","0.0013","20.222","0.003","90","","90","","90","","1943","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F3 N2 O5 -","- C17 H21 F3 N2 O5 -","- C68 H84 F12 N8 O20 -","4","1","","Qi Chen; Xiao-Long Qiu; Feng-Ling Qing","Indium-Mediated Diastereoselective Allylation of D- and L-Glyceraldimines with 4-Bromo-1,1,1-trifluoro-2-butene: Highly Stereoselective Synthesis of 4,4,4-Trifluoroisoleucines and 4,4,4-Trifluorovaline","Journal of Organic Chemistry","2006","71","","3762","3767","10.1021/jo0601157","","","0.71073","MoKα","","0.1229","0.0457","","","0.0823","0.0972","","","","","","0.724","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021683","8.039","0.002","9.123","0.005","11.27","0.003","90","","96.06","0.02","90","","821.9","0.5","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C40 H42 N2 O4 -","2","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.1214","0.0951","","","0.2396","0.2605","","","","","","1.154","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021684","7.487","","8.4","","10.324","","90","","104.96","","90","","627.3","","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C28 H34 N2 O4 -","2","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0653","0.0426","","","0.1141","0.1248","","","","","","1.042","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021685","9.183","0.001","9.649","0.001","14.829","0.003","89.13","0.01","73.905","0.01","61.905","0.01","1103.3","0.3","567","2","567","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C28 H29 N O2 -","- C28 H29 N O2 -","- C56 H58 N2 O4 -","2","2","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0638","0.0448","","","0.1138","0.1265","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021686","17.077","0.002","6.1","0.002","20.335","0.003","90","","94.74","0.02","90","","2111.1","0.8","294","2","294","2","","","","","","","synthesis as described","4","I 1 2 1","I 2y","5","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0789","0.0477","","","0.1137","0.1318","","","","","","1.054","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021687","7.4204","0.001","9.7672","0.0013","10.349","0.013","90","","105.788","0.011","90","","721.8","0.9","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C32 H42 N2 O4 -","2","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0875","0.0534","","","0.1275","0.146","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021688","7.1748","0.0001","12.322","0.0002","12.7561","0.0003","80.9493","0.0006","78.1764","0.0008","78.3594","0.0008","1073.17","0.03","295","","295","","","","","","","","","5","P -1","-P 1","2","","N,N-Diethylethanaminium (1E)-1,3-bis(2-chloro-4-nitrophenyl)triazenide","","- C18 H22 Cl2 N6 O4 -","- C18 H22 Cl2 N6 O4 -","- C36 H44 Cl4 N12 O8 -","2","1","","Andrej Virag; Anton Meden; Marijan Kočevar; Slovenko Polanc","Synthesis and Characterization of New Triazenide Salts","Journal of Organic Chemistry","2006","71","","4014","4017","10.1021/jo060178p","","","0.71073","MoKα","","","0.046","","","","0.041","","","","","","1.43","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4021689","11.529","0.0002","13.8586","0.0003","17.0008","0.0003","90","","100.46","0.0013","90","","2671.18","0.09","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1E)-3-Ethoxy-N,N,N-triethyl-3-oxo-1-propen-1-aminium (1E)- 1,3-bis(2-chloro-4-nitrophenyl)triazenide","","- C23 H28 Cl2 N6 O6 -","- C23 H28 Cl2 N6 O6 -","- C92 H112 Cl8 N24 O24 -","4","1","","Andrej Virag; Anton Meden; Marijan Kočevar; Slovenko Polanc","Synthesis and Characterization of New Triazenide Salts","Journal of Organic Chemistry","2006","71","","4014","4017","10.1021/jo060178p","","","0.71073","MoKα","","","0.056","","","","0.053","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021690","5.7123","0.0011","11.521","0.002","19.939","0.004","90","","90","","90","","1312.2","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","","Jeff T. Suri; Susumu Mitsumori; Klaus Albertshofer; Fujie Tanaka; Carlos F. Barbas III","Dihydroxyacetone Variants in the Organocatalytic Construction of Carbohydrates: Mimicking Tagatose and Fuculose Aldolases","Journal of Organic Chemistry","2006","71","","3822","3828","10.1021/jo0602017","","","0.71073","MoKα","","0.0424","0.0356","","","0.0856","0.0896","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021691","20.703","0.002","5.5301","0.0005","7.6557","0.0008","90","","90","","90","","876.5","0.15","190","2","190","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H6 F2 O2 -","- C11 H6 F2 O2 -","- C44 H24 F8 O8 -","4","1","","Yi Wang; Donald J. Burton","A Facile, General Synthesis of 3,4-Difluoro-6-substituted-2-pyrones","Journal of Organic Chemistry","2006","71","","3859","3862","10.1021/jo060362a","","","0.71073","MoKα","","0.0566","0.0422","","","0.1002","0.1058","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021692","8.914","0.002","12.872","0.002","14.088","0.002","90","","90","","90","","1616.5","0.4","98.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Ayumu Niida; Hiroaki Tanigaki; Eriko Inokuchi; Yoshikazu Sasaki; Shinya Oishi; Hiroaki Ohno; Hirokazu Tamamura; Zixuan Wang; Stephen C. Peiper; Kazuo Kitaura; Akira Otaka; Nobutaka Fujii","Stereoselective Synthesis of 3,6-Disubstituted-3,6-dihydropyridin-2-ones as Potential Diketopiperazine Mimetics Using Organocopper-Mediated anti-S~N~2' Reactions and Their Use in the Preparation of Low-Molecule CXCR4 Antagonists","Journal of Organic Chemistry","2006","71","","3942","3951","10.1021/jo060390t","","","0.7107","MoKα","","","0.0355","","","","0.0623","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021693","8.683","0.002","10.611","0.002","12.899","0.003","90","","90","","90","","1188.4","0.4","133.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Ayumu Niida; Hiroaki Tanigaki; Eriko Inokuchi; Yoshikazu Sasaki; Shinya Oishi; Hiroaki Ohno; Hirokazu Tamamura; Zixuan Wang; Stephen C. Peiper; Kazuo Kitaura; Akira Otaka; Nobutaka Fujii","Stereoselective Synthesis of 3,6-Disubstituted-3,6-dihydropyridin-2-ones as Potential Diketopiperazine Mimetics Using Organocopper-Mediated anti-S~N~2' Reactions and Their Use in the Preparation of Low-Molecule CXCR4 Antagonists","Journal of Organic Chemistry","2006","71","","3942","3951","10.1021/jo060390t","","","0.7107","MoKα","","","0.0363","","","","0.0714","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021694","37.2189","0.0005","25.8102","0.0004","22.6434","0.0004","90","","115.247","0.001","90","","19674.1","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H111 N9 O15 S3 -","- C81 H105 N9 O15 S3 -","- C648 H840 N72 O120 S24 -","8","1","","David Coquière; Hélène Cadeau; Yannick Rondelez; Michel Giorgi; Olivia Reinaud","Ipso-Chlorosulfonylation of Calixarenes: A Powerful Tool for the Selective Functionalization of the Large Rim","Journal of Organic Chemistry","2006","71","","4059","4065","10.1021/jo052605p","","","0.71073","MoKα","","0.2169","0.1199","","","0.2893","0.3551","","","","","","1.055","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021695","6.05","0.001","9.625","0.002","21.19","0.004","90","","90","","90","","1233.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C52 H52 Br4 O12 -","4","1","","Lili Lin; Qian Fan; Bo Qin; Xiaoming Feng","Highly Enantio- and Diastereoselective Brassard Type Hetero-Diels-Alder Approach to 5-Methyl-Containing α,β-Unsaturated δ-Lactones","Journal of Organic Chemistry","2006","71","","4141","4146","10.1021/jo060046w","","","0.71073","MoKα","","0.1337","0.047","","","0.055","0.0666","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021696","11.465","0.001","11.569","0.002","14.849","0.002","110.7","0.01","91.91","0.01","96.29","0.01","1825.8","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","2","","Renata Marcia de Figueiredo; Roland Fröhlich; Mathias Christmann","N,N'-Carbonyldiimidazole-Mediated Cyclization of Amino Alcohols to Substituted Azetidines and Other N-Heterocycles","Journal of Organic Chemistry","2006","71","","4147","4154","10.1021/jo060130b","","","1.54178","CuKα","","0.131","0.0749","","","0.1832","0.2267","","","","","","1.009","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021697","18.2861","0.0006","9.5825","0.0003","23.9084","0.0008","90","","110.824","0.001","90","","3915.7","0.2","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C55 H38 Cl2 -","- C55 H38 Cl2 -","- C220 H152 Cl8 -","4","1","","Rajib Mondal; Bipin K. Shah; Douglas C. Neckers","Synthesis and Photophysical Properties of Dihydroheptacenes: New Blue-Emitting Materials","Journal of Organic Chemistry","2006","71","","4085","4091","10.1021/jo0601314","","","0.71073","MoKα","","0.0737","0.0625","","","0.1476","0.1541","","","","","","1.07","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021698","8.683","0.002","10.611","0.002","12.899","0.003","90","","90","","90","","1188.4","0.4","133.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Ayumu Niida; Makiko Mizumoto; Tetsuo Narumi; Eriko Inokuchi; Shinya Oishi; Hiroaki Ohno; Akira Otaka; Kazuo Kitaura; Nobutaka Fujii","Synthesis of (Z)-Alkene and (E)-Fluoroalkene-Containing Diketopiperazine Mimetics Utilizing Organocopper-Mediated Reduction-Alkylation and Diastereoselectivity Examination Using DFT Calculations","Journal of Organic Chemistry","2006","71","","4118","4129","10.1021/jo060202z","","","0.7107","MoKα","","","0.0363","","","","0.0714","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021699","8.914","0.002","12.872","0.002","14.088","0.002","90","","90","","90","","1616.5","0.4","98.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Ayumu Niida; Makiko Mizumoto; Tetsuo Narumi; Eriko Inokuchi; Shinya Oishi; Hiroaki Ohno; Akira Otaka; Kazuo Kitaura; Nobutaka Fujii","Synthesis of (Z)-Alkene and (E)-Fluoroalkene-Containing Diketopiperazine Mimetics Utilizing Organocopper-Mediated Reduction-Alkylation and Diastereoselectivity Examination Using DFT Calculations","Journal of Organic Chemistry","2006","71","","4118","4129","10.1021/jo060202z","","","0.7107","MoKα","","","0.0355","","","","0.0623","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021700","6.8927","0.0001","8.8506","0.0002","12.6185","0.0003","75.92","0.001","80.014","0.001","75.82","0.001","718.59","0.03","100","2","100","2","","","","","","","synthesized","5","P 1","P 1","1","","","","- C26 H30 Cl2 N8 O6 -","- C26 H30 Cl2 N8 O6 -","- C26 H30 Cl2 N8 O6 -","1","1","","May Xiao-Wu Jiang; Bohan Jin; Jennifer L. Gage; Alain Priour; Gordon Savela; Marvin J. Miller","Substrate-Dependent Dihydroxylation of Substituted Cyclopentenes: Toward the Syntheses of Carbocyclic Sinefungin and Noraristeromycin","Journal of Organic Chemistry","2006","71","","4164","4169","10.1021/jo060224l","","x-ray","0.71073","MoKα","","0.0274","0.0264","","","0.0681","0.0689","","","","","","1.059","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021701","11.2761","0.0005","23.5451","0.0009","26.7168","0.0011","90","","90","","90","","7093.2","0.5","100","2","100","2","","","","","","","synthesized","5","C 2 2 21","C 2c 2","20","","","","- C33 H45 Cl N5 O9 -","- C33 H43 Cl N5 O8 -","- C264 H344 Cl8 N40 O64 -","8","1","","May Xiao-Wu Jiang; Bohan Jin; Jennifer L. Gage; Alain Priour; Gordon Savela; Marvin J. Miller","Substrate-Dependent Dihydroxylation of Substituted Cyclopentenes: Toward the Syntheses of Carbocyclic Sinefungin and Noraristeromycin","Journal of Organic Chemistry","2006","71","","4164","4169","10.1021/jo060224l","","x-ray","0.71073","MoKα","","0.044","0.0368","","","0.0838","0.0868","","","","","","1.037","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021702","6.3331","0.0009","20.91","0.004","13.268","0.003","90","","103.735","0.006","90","","1706.8","0.6","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18.5 F3 N3 O8.25 -","- C13 H18.5 F3 N3 O8.25 -","- C52 H74 F12 N12 O33 -","4","2","","T. Santhosh Kumar; Andreas S. Madsen; Jesper Wengel; Patrick J. Hrdlicka","Synthesis and Hybridization Studies of 2'-Amino-α-L-LNA and Tetracyclic ""Locked LNA""","Journal of Organic Chemistry","2006","71","","4188","4201","10.1021/jo060331f","","","0.71073","MoKα","","0.1181","0.0899","","","0.2369","0.2551","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021703","13.449","0.002","20.433","0.004","9.746","0.003","90","","107.333","0.002","90","","2556.8","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-(2-butylimidazol-1-yl)-2-chloropurine","","- C12 H13 Cl N6 -","- C12 H13 Cl N6 -","- C96 H104 Cl8 N48 -","8","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0413","0.0349","","","0.0928","0.0979","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021704","28.454","0.006","12.209","0.002","7.1539","0.0014","90","","95.85","0.03","90","","2472.3","0.8","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-(1,2,4-triazol-4-yl)purine.pyridine","","- C12 H10 N8 -","- C12 H10 N8 -","- C96 H80 N64 -","8","2","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0511","0.0338","","","0.0904","0.1017","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021705","8.6769","0.0008","14.8384","0.0014","25.297","0.002","90","","90","","90","","3257","0.5","173","2","173","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","9-(5-O-acetyl-β-D-ribofuranosyl)-6-(imidazol-1-yl)purine","","- C15 H16 N6 O5 -","- C15 H16 N6 O5 -","- C120 H128 N48 O40 -","8","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0294","0.0289","","","0.0776","0.0782","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021706","9.702","0.003","10.67","0.003","29.835","0.008","90","","90","","90","","3088.4","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-2-chloro-6- (4,5-diphenylimidazol-1-yl)purine","","- C31 H27 Cl N6 O7 -","- C31 H27 Cl N6 O7 -","- C124 H108 Cl4 N24 O28 -","4","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0448","0.0281","","","0.0604","0.0675","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021707","9.9025","0.0017","13.057","0.0015","19.969","0.002","90","","90","","90","","2582","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","9-(5-O-tert-butyldimethylsilyl-2,3-dideoxy-3-iodo- β-D-threo-pentofuranosyl)-6-(2,5-dimethylpyrrol-1-yl)purine","","- C22 H32 I N5 O2 Si -","- C22 H32 I N5 O2 Si -","- C88 H128 I4 N20 O8 Si4 -","4","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0942","0.0488","","","0.0743","0.0863","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021708","5","0.001","9.13","0.002","10.483","0.003","90","","91.434","0.011","90","","478.4","0.2","150","2","150","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","Paquette 1404","","","- C9 H18 O5 -","- C9 H18 O5 -","- C18 H36 O10 -","2","1","","Leo A. Paquette; Yunlong Zhang","From Common Carbohydrates to Enantiopure Cyclooctane Polyols and Glycomimetics via Deoxygenative Zirconocene Ring Contraction","Journal of Organic Chemistry","2006","71","","4353","4363","10.1021/jo051989g","","x-ray","0.71073","MoKα","","0.0471","0.0389","","","0.0887","0.093","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021709","7.5","0.001","10.249","0.002","29.643","0.006","90","","90","","90","","2278.6","0.7","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","Paquette 1365","","","- C22 H36 O6 Si -","- C22 H36 O6 Si -","- C88 H144 O24 Si4 -","4","1","","Leo A. Paquette; Yunlong Zhang","From Common Carbohydrates to Enantiopure Cyclooctane Polyols and Glycomimetics via Deoxygenative Zirconocene Ring Contraction","Journal of Organic Chemistry","2006","71","","4353","4363","10.1021/jo051989g","","x-ray","0.71073","MoKα","","0.0664","0.0458","","","0.0992","0.1075","","","","","","1.069","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021710","11.2797","0.0011","11.9022","0.0011","13.0227","0.0012","90","","90","","90","","1748.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0442","0.0336","","","0.1008","0.1129","","","","","","0.826","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021711","14.553","0.004","13.477","0.003","11.77","0.003","90","","108.896","0.005","90","","2184","0.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C104 H116 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0761","0.0524","","","0.1311","0.148","","","","","","0.931","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021712","10.2983","0.0008","10.946","0.0009","13.785","0.0012","90","","90","","90","","1553.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0778","0.0645","","","0.1901","0.2024","","","","","","1.45","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021713","6.9263","0.0006","12.6281","0.001","18.6474","0.0015","90","","90","","90","","1631","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0377","0.0346","","","0.1158","0.1195","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021714","24.233","0.005","13.861","0.003","18.487","0.004","90","","107.5","0.03","90","","5922","2","123","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C81 H46 Cl4 O12 -","- C81 H46 Cl4 O12 -","- C324 H184 Cl16 O48 -","4","1","","Fudong Wang; Zuo Xiao; Zhipeng Yao; Zhenshan Jia; Shaohua Huang; Liangbing Gan; Jiang Zhou; Gu Yuan; Shiwei Zhang","Lewis Acid Promoted Preparation of Isomerically Pure Fullerenols from Fullerene Peroxides C~60~(OOt-Bu)~6~ and C~60~(O)(OOt-Bu)~6~","Journal of Organic Chemistry","2006","71","","4374","4382","10.1021/jo060012o","","","0.71073","MoKα","","0.1739","0.082","","","0.1931","0.2205","","","","","","1.009","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021715","13.301","0.003","14.292","0.003","18.349","0.004","99.32","0.03","94.56","0.03","108.96","0.03","3222.5","1.1","123","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C84.5 H52 O13 S5 -","- C84.5 H52 O13 S5 -","- C169 H104 O26 S10 -","2","1","","Fudong Wang; Zuo Xiao; Zhipeng Yao; Zhenshan Jia; Shaohua Huang; Liangbing Gan; Jiang Zhou; Gu Yuan; Shiwei Zhang","Lewis Acid Promoted Preparation of Isomerically Pure Fullerenols from Fullerene Peroxides C~60~(OOt-Bu)~6~ and C~60~(O)(OOt-Bu)~6~","Journal of Organic Chemistry","2006","71","","4374","4382","10.1021/jo060012o","","","0.71073","MoKα","","0.1043","0.0773","","","0.2138","0.2317","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021716","12.427","0.003","12.482","0.003","20.495","0.004","78.28","0.03","89.97","0.03","78.6","0.03","3049","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Cl2 N3 O4 -","- C32 H31 Cl2 N3 O4 -","- C128 H124 Cl8 N12 O16 -","4","2","","Ying Cheng; Bo Wang; Lan-Qing Cheng","High Nucleophilicity of Cyclic Amidocarbene toward Aryl Isocyanates, New Approach to Spiro[azetidinone-4,3'-indolinone] Derivatives","Journal of Organic Chemistry","2006","71","","4418","4427","10.1021/jo060265h","","","0.71073","MoKα","","0.1537","0.0699","","","0.1747","0.2055","","","","","","1.011","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021717","12.156","0.002","13.886","0.003","17.364","0.004","90","","103.23","0.03","90","","2853.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Br2 N3 O3 -","- C30 H27 Br2 N3 O3 -","- C120 H108 Br8 N12 O12 -","4","1","","Ying Cheng; Bo Wang; Lan-Qing Cheng","High Nucleophilicity of Cyclic Amidocarbene toward Aryl Isocyanates, New Approach to Spiro[azetidinone-4,3'-indolinone] Derivatives","Journal of Organic Chemistry","2006","71","","4418","4427","10.1021/jo060265h","","","0.71073","MoKα","","0.1427","0.0526","","","0.1225","0.1471","","","","","","0.833","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021718","17.945","0.004","8.919","0.0018","28.366","0.006","90","","105.7","0.03","90","","4370.6","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H36 Br2 Cl N3 O4 -","- C50 H36 Br2 Cl N3 O4 -","- C200 H144 Br8 Cl4 N12 O16 -","4","1","","Ying Cheng; Bo Wang; Lan-Qing Cheng","High Nucleophilicity of Cyclic Amidocarbene toward Aryl Isocyanates, New Approach to Spiro[azetidinone-4,3'-indolinone] Derivatives","Journal of Organic Chemistry","2006","71","","4418","4427","10.1021/jo060265h","","","0.71073","MoKα","","0.1076","0.0679","","","0.2042","0.2341","","","","","","1.046","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021719","19.1714","0.0002","19.1714","0.0002","23.39","0.0003","90","","90","","90","","8596.82","0.17","150","","150","","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","","","- C22 H30 N2 O2 Os -","- C22 H30 N2 O2 Os -","- C352 H480 N32 O32 Os16 -","16","1","","Timothy J. Donohoe; Robert M. Harris; Sam Butterworth; Jeremy N. Burrows; Andrew Cowley; Jeremy S. Parker","New Osmium-Based Reagent for the Dihydroxylation of Alkenes","Journal of Organic Chemistry","2006","71","","4481","4489","10.1021/jo060301c","","","0.71073","MoKα","","0.0431","0.0272","","0.051","0.0299","0.0299","","","","","","1.0711","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021720","9.3653","0.0002","17.3355","0.0004","16.0132","0.0003","90","","94.3128","0.001","90","","2592.42","0.09","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 N2 O3 Os -","- C26 H38 N2 O3 Os -","- C104 H152 N8 O12 Os4 -","4","1","","Timothy J. Donohoe; Robert M. Harris; Sam Butterworth; Jeremy N. Burrows; Andrew Cowley; Jeremy S. Parker","New Osmium-Based Reagent for the Dihydroxylation of Alkenes","Journal of Organic Chemistry","2006","71","","4481","4489","10.1021/jo060301c","","","0.71073","MoKα","","0.041","0.0277","","0.0404","0.0321","0.0321","","","","","","1.0623","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021721","6.1505","0.0002","12.5027","0.0002","16.6071","0.0003","90","","90","","90","","1277.05","0.05","150","","150","","","","","","","","?","5","P b c n","-P 2n 2ab","60","","","","- C10 H22 N2 O2 Os -","- C10 H22 N2 O2 Os -","- C40 H88 N8 O8 Os4 -","4","0.5","","Timothy J. Donohoe; Robert M. Harris; Sam Butterworth; Jeremy N. Burrows; Andrew Cowley; Jeremy S. Parker","New Osmium-Based Reagent for the Dihydroxylation of Alkenes","Journal of Organic Chemistry","2006","71","","4481","4489","10.1021/jo060301c","","","0.71073","MoKα","","0.0341","0.0225","","0.0348","0.0302","0.0302","","","","","","1.0531","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021722","15.0702","0.0006","9.4707","0.0004","17.8664","0.0007","90","","91.564","0.001","90","","2549.04","0.18","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-3,5-di(bromomethyl)-4-tert-butylmorpholine","","- C10 H19 Br2 N O -","- C10 H19 Br2 N O -","- C80 H152 Br16 N8 O8 -","8","2","","Matthias D'hooghe; Tim Vanlangendonck; Karl W. Törnroos; Norbert De Kimpe","Novel Synthesis of cis-3,5-Disubstituted Morpholine Derivatives","Journal of Organic Chemistry","2006","71","","4678","4681","10.1021/jo060313y","","","0.71073","MoKα","","0.033","0.0229","","","0.0476","0.0512","","","","","","1.016","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021723","14.6581","0.0011","12.0535","0.0009","9.6751","0.0007","90","","90","","90","","1709.4","0.2","298","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-(1-tert-Butyl-1-methoxy-2,2-dimethyl-propyl)-2-isopropyl-benzene 4","","- C19 H32 O -","- C19 H32 O -","- C76 H128 O4 -","4","0.5","","Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti","Structure, Conformation, and Stereodynamics of the Atropisomers of Highly Hindered Benzyl Ethers","Journal of Organic Chemistry","2006","71","","4490","4496","10.1021/jo0603173","","","0.71073","MoKα","","0.0541","0.0412","","","0.1414","0.152","","","","","","1.023","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021724","15.698","0.003","9.7251","0.0016","16.164","0.003","90","","108.106","0.003","90","","2345.6","0.7","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N4 O6 -","- C26 H26 N4 O6 -","- C104 H104 N16 O24 -","4","0.5","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0566","0.0459","","","0.1128","0.1204","","","","","","1.02","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021725","18.3914","0.0016","12.5889","0.0011","32.662","0.003","90","","122.009","0.004","90","","6412.4","1","292","2","273","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C60 H70 N8 O21 -","- C60 H70 N8 O21 -","- C240 H280 N32 O84 -","4","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.1153","0.0638","","","0.0937","0.0995","","","","","","1.031","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021726","29.7596","0.0018","29.7596","0.0018","14.0373","0.0016","90","","90","","90","","12431.9","1.8","292","2","292","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C32 H37 N5 O6 -","- C32 H37 N5 O6 -","- C512 H592 N80 O96 -","16","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0769","0.0452","","","0.1179","0.1302","","","","","","0.928","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021727","9.8669","0.0013","10.4332","0.0013","15.6359","0.0019","98.861","0.002","93.896","0.002","102.489","0.002","1544.2","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 Cl N4 O10 -","- C31 H34 Cl N4 O10 -","- C62 H68 Cl2 N8 O20 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0923","0.0605","","","0.1714","0.2119","","","","","","1.037","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021728","8.4288","0.0016","11.561","0.002","13.722","0.003","94.82","0.003","98.701","0.003","90.263","0.004","1316.9","0.4","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N6 O10 -","- C26 H24 N6 O10 -","- C52 H48 N12 O20 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0734","0.0578","","","0.163","0.1803","","","","","","1.039","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021729","9.945","0.0008","22.6112","0.0017","25.928","0.002","90","","95.379","0.002","90","","5804.6","0.8","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H49 Cl3 N12 O20 -","- C53 H49 Cl3 N12 O20 -","- C212 H196 Cl12 N48 O80 -","4","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.1164","0.0606","","","0.159","0.1766","","","","","","0.914","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021730","9.9585","0.0008","10.4964","0.0009","14.6205","0.0012","71.555","0.002","86.28","0.002","78.775","0.002","1422","0.2","292","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N6 O12 -","- C28 H28 N6 O12 -","- C56 H56 N12 O24 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.1075","0.0695","","","0.1892","0.2308","","","","","","1.035","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021731","12.9697","0.0015","15.7345","0.0018","28.299","0.003","90","","101.549","0.002","90","","5658.1","1.1","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N6 O12 -","- C28 H28 N6 O12 -","- C224 H224 N48 O96 -","8","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0983","0.0577","","","0.1342","0.154","","","","","","1.026","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021732","10.139","0.012","12.672","0.015","13.818","0.017","78.23","0.02","68.9","0.02","70.97","0.02","1558","3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 Cl N4 O10 -","- C31 H34 Cl N4 O10 -","- C62 H68 Cl2 N8 O20 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0937","0.0614","","","0.175","0.219","","","","","","1.044","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021733","9.6701","0.0012","13.4476","0.0016","13.6194","0.0016","89.008","0.002","72.456","0.002","73.091","0.002","1610.9","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H35 Cl3 N4 O8 -","- C31 H35 Cl3 N4 O8 -","- C62 H70 Cl6 N8 O16 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0937","0.0609","","","0.1665","0.1982","","","","","","0.993","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021734","22.813","0.005","14.951","0.003","18.936","0.004","90","","90","","90","","6458","2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H34 Cl3 N4 O9.5 -","- C29 H34 Cl3 N4 O9.5 -","- C232 H272 Cl24 N32 O76 -","8","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0934","0.0733","","","0.1754","0.1918","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021735","9.7628","0.0009","12.5244","0.0011","13.9344","0.0012","102.227","0.002","94.988","0.002","99.295","0.002","1630.3","0.3","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C68 H96 O16 -","- C68 H96 O16 -","- C68 H96 O16 -","1","0.5","","Shigeo Kohmoto; Yasunobu Someya; Hyuma Masu; Kentaro Yamaguchi; Keiki Kishikawa","Liquid Crystal and Crystal Structure of Octahomotetraoxacalix[4]arenes","Journal of Organic Chemistry","2006","71","","4509","4515","10.1021/jo060355m","","","0.71073","MoKα","","0.1149","0.0715","","","0.1973","0.2268","","","","","","1.073","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021736","9.5109","0.0007","9.1849","0.0007","12.3031","0.0009","90","","100.176","0.001","90","","1057.85","0.14","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-(1R*,2S*,3S*)-3-(4-Hydroxyphenyl)-cyclohex-4-ene-1,2-diol","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","David Crich; Daniel Grant; Donald J. Wink","Expedient Two-Step Synthesis of Phenolic Cyclitols from Benzene","Journal of Organic Chemistry","2006","71","","4521","4524","10.1021/jo0603734","","","0.71073","MoKα","","0.0529","0.0445","","","0.1184","0.1231","","","","","","1.037","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021737","19.799","0.003","6.541","0.0011","17.571","0.003","90","","107.194","0.003","90","","2173.8","0.6","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1R,2S,3r,4R,5S)-3-(2-Hydroxyphenyl)-1,2,4,5-cyclohexanetetraol","","- C12 H16 O5 -","- C12 H16 O5 -","- C96 H128 O40 -","8","1","","David Crich; Daniel Grant; Donald J. Wink","Expedient Two-Step Synthesis of Phenolic Cyclitols from Benzene","Journal of Organic Chemistry","2006","71","","4521","4524","10.1021/jo0603734","","","0.71073","MoKα","","0.0677","0.063","","","0.1503","0.1525","","","","","","1.226","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021738","10.087","0.003","5.4955","0.0015","14.843","0.004","90","","97.321","0.015","90","","816.1","0.4","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H30 O2 -","- C18 H30 O2 -","- C36 H60 O4 -","2","1","","Vikram C. Purohit; Robyn D. Richardson; Jeffrey W. Smith; Daniel Romo","Practical, Catalytic, Asymmetric Synthesis of β-Lactones via a Sequential Ketene Dimerization/Hydrogenation Process: Inhibitors of the Thioesterase Domain of Fatty Acid Synthase","Journal of Organic Chemistry","2006","71","","4549","4558","10.1021/jo060392d","","","1.54178","CuKα","","0.0964","0.0615","","","0.139","0.154","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021739","10.571","0.003","10.934","0.003","12.616","0.004","71.74","0.03","75.85","0.04","66.9","0.03","1261.3","0.7","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","4,5-Diethylcarboxy-2,7-bis(1,1-dimethylethyl)- 9,9-dimethyl-xanthene","","- C27 H34 O5 -","- C27 H34 O5 -","- C54 H68 O10 -","2","1","","Maurice Frederic Pilz; Christian Limberg; Burkhard Ziemer","Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites","Journal of Organic Chemistry","2006","71","","4559","4564","10.1021/jo060394y","","","0.71073","MoKα","","0.1333","0.0887","","","0.2116","0.2486","","","","","","0.896","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021740","11.407","0.003","14.078","0.004","17.325","0.004","96.17","0.03","93.52","0.03","100.92","0.03","2706.4","1.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","2,7-Bis(1,1-dimethylethyl)-9,9-dimethyl-4,5-bis(1-(2,3-dimethylphenyl amino)-3-(2,3-dimethylphenylimino)iso-propenyl)-xanthene","","- C63 H76 N4 O2 -","- C63 H70 N4 O2 -","- C126 H140 N8 O4 -","2","1","","Maurice Frederic Pilz; Christian Limberg; Burkhard Ziemer","Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites","Journal of Organic Chemistry","2006","71","","4559","4564","10.1021/jo060394y","","","0.71073","MoKα","","0.1114","0.0593","","","0.1396","0.1581","","","","","","0.869","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021741","17.47","0.002","28.695","0.004","27.5","0.003","90","","90","","90","","13786","3","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dilithium 2,7-Bis(1,1-dimethylethyl)9,9-dimethyl-4,5-bis(1-(2,3-dimethyl phenylamido)-3-(2,3-dimethylphenylimino)iso-propenyl)-xanthene","","- C73 H98 Li2 N4 O4 -","- C73 H98 Li2 N4 O4 -","- C584 H784 Li16 N32 O32 -","8","1","","Maurice Frederic Pilz; Christian Limberg; Burkhard Ziemer","Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites","Journal of Organic Chemistry","2006","71","","4559","4564","10.1021/jo060394y","","","0.71073","MoKα","","0.1582","0.0907","","","0.2299","0.2549","","","","","","0.87","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021742","9.071","0.002","14.515","0.003","17.209","0.004","90","","95.318","0.005","90","","2256.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4c","N-cyclohexyl-1-[N'-carbamoyl-N-(2-oxo-2-phenylacetyl) hydrazino]cyclohexanecarboxamide","","- C22 H30 N4 O4 -","- C22 H30 N4 O4 -","- C88 H120 N16 O16 -","4","1","","María Sañudo; Stefano Marcaccini; Sara Basurto; Tomás Torroba","Synthesis of 3-Hydroxy-6-oxo[1,2,4]triazin-1-yl Alaninamides, a New Class of Cyclic Dipeptidyl Ureas","Journal of Organic Chemistry","2006","71","","4578","4584","10.1021/jo060434y","","","0.71073","MoKα","","0.182","0.1052","","","0.3034","0.3495","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021743","11.367","0.004","15.514","0.005","11.871","0.004","90","","116.88","0.004","90","","1867.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5a","N-Cyclohexyl-2-(3-hydroxy-6-oxo-5- phenyl-6H-[1,2,4]triazin-1-yl)isobutyramide","","- C19 H24 N4 O3 -","- C19 H24 N4 O3 -","- C76 H96 N16 O12 -","4","1","","María Sañudo; Stefano Marcaccini; Sara Basurto; Tomás Torroba","Synthesis of 3-Hydroxy-6-oxo[1,2,4]triazin-1-yl Alaninamides, a New Class of Cyclic Dipeptidyl Ureas","Journal of Organic Chemistry","2006","71","","4578","4584","10.1021/jo060434y","","","0.71073","MoKα","","0.1322","0.0788","","","0.2226","0.2495","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021744","7.912","0.002","9.492","0.001","12.597","0.002","102.24","0.01","99.95","0.02","96.12","0.02","900.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H10 F6 O4 -","- C21 H10 F6 O4 -","- C42 H20 F12 O8 -","2","1","","Vyacheslav Ya. Sosnovskikh; Vladislav Yu. Korotaev; Dmitry L. Chizhov; Igor B. Kutyashev; Danil S. Yachevskii; Olga N. Kazheva; Oleg A. Dyachenko; Valery N. Charushin","Reaction of Polyhaloalkyl-Substituted Chromones, Pyrones, and Furanones with Salicylaldehydes as a Direct Route to Fused 2H-Chromenes","Journal of Organic Chemistry","2006","71","","4538","4543","10.1021/jo060459x","","","0.7107","MoKα","","0.0397","0.0355","","","0.0912","0.0942","","","","","","1.045","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021745","11.053","0.002","12.222","0.002","13.902","0.002","90","","97.37","0.02","90","","1862.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H10 F6 O4 -","- C21 H10 F6 O4 -","- C84 H40 F24 O16 -","4","1","","Vyacheslav Ya. Sosnovskikh; Vladislav Yu. Korotaev; Dmitry L. Chizhov; Igor B. Kutyashev; Danil S. Yachevskii; Olga N. Kazheva; Oleg A. Dyachenko; Valery N. Charushin","Reaction of Polyhaloalkyl-Substituted Chromones, Pyrones, and Furanones with Salicylaldehydes as a Direct Route to Fused 2H-Chromenes","Journal of Organic Chemistry","2006","71","","4538","4543","10.1021/jo060459x","","","0.7107","MoKα","","0.0446","0.0343","","","0.0869","0.0921","","","","","","1.048","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021746","9.0507","0.0015","6.9774","0.0012","14.452","0.002","90","","103.996","0.003","90","","885.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","","Cristiano Raminelli; Zhijian Liu; Richard C. Larock","Regioselective Synthesis of 3-(2-Hydroxyaryl)pyridines via Arynes and Pyridine N-Oxides","Journal of Organic Chemistry","2006","71","","4689","4691","10.1021/jo060523a","","","0.71073","MoKα","","0.0443","0.038","","","0.109","0.1162","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021747","7.4164","0.0018","12.426","0.003","20.103","0.005","90","","90","","90","","1852.6","0.8","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C96 H64 N16 O8 -","8","2","","Cristiano Raminelli; Zhijian Liu; Richard C. Larock","Regioselective Synthesis of 3-(2-Hydroxyaryl)pyridines via Arynes and Pyridine N-Oxides","Journal of Organic Chemistry","2006","71","","4689","4691","10.1021/jo060523a","","","0.71073","MoKα","","0.0379","0.0332","","","0.086","0.0896","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021748","14.6298","0.001","25.9566","0.001","18.5998","0.001","90","0.01","111.751","0.01","90","0.01","6560.2","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H33 O6 -","- C39 H33 O6 -","- C312 H264 O48 -","8","1","","Arkasish Bandyopadhyay; Babu Varghese; Sethuraman Sankararaman","Synthesis of 1,4-Cyclohexadiene-Based Acetylenic Macrocycles with Cadiot-Chodkiewicz Coupling. Structure of a Tub-Shaped Tetrameric Container","Journal of Organic Chemistry","2006","71","","4544","4548","10.1021/jo0605290","","","1.5418","CuKα","","0.1926","0.1085","","","0.2421","0.268","","","","","","0.866","","","","has coordinates","259535","2020-12-04","06:04:51",""
"4021749","14.832","0.006","25.376","0.008","12.737","0.004","90","","90","","90","","4794","3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C52 H48 O10 -","- C52 H48 O10 -","- C208 H192 O40 -","4","0.5","","Arkasish Bandyopadhyay; Babu Varghese; Sethuraman Sankararaman","Synthesis of 1,4-Cyclohexadiene-Based Acetylenic Macrocycles with Cadiot-Chodkiewicz Coupling. Structure of a Tub-Shaped Tetrameric Container","Journal of Organic Chemistry","2006","71","","4544","4548","10.1021/jo0605290","","","0.71069","MoKα","","0.1521","0.0583","","","0.1436","0.1715","","","","","","1.022","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021750","12.524","0.003","8.4105","0.0017","14.315","0.003","90","","112.12","0.03","90","","1396.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-bis(hexoxy)-1,2-bis(2,6-dibromopyrid-4-yl)ethane","","- C12 H16 Br2 N O -","- C12 H16 Br2 N O -","- C48 H64 Br8 N4 O4 -","4","1","","Chad M. Amb; Seth C. Rasmussen","6,6'-Dibromo-4,4'-di(hexoxymethyl)-2,2'- bipyridine: A New Solubilizing Building Block for Macromolecular and Supramolecular Applications","Journal of Organic Chemistry","2006","71","","4696","4699","10.1021/jo060557i","","","0.71073","MoKα","","0.1279","0.0379","","","0.0708","0.0969","","","","","","0.977","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021751","8.6992","0.0003","6.3159","0.0002","39.6797","0.0015","90","","90","","90","","2180.13","0.13","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C96 H104 N8 O24 -","8","2","","Fatiah Issa; Joshua Fischer; Peter Turner; Mark J. Coster","Regioselective Reduction of 3-Methoxymaleimides: An Efficient Method for the Synthesis of Methyl 5-Hydroxytetramates","Journal of Organic Chemistry","2006","71","","4703","4705","10.1021/jo0605750","","","0.71073","MoKα","","0.052","0.0365","","","0.0678","0.0689","","","","","","1.184","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021752","9.721","0.001","9.8697","0.0006","14.583","0.001","88.249","0.004","74.925","0.004","86.837","0.004","1348.7","0.2","113.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 N6 O14 -","- C58 H66 N6 O14 -","- C58 H66 N6 O14 -","1","0.5","","Shin-ichiro Kato; Taisuke Matsumoto; Keiko Ideta; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Supramolecular Assemblies and Redox Modulation of Pyromellitic Diimide-Based Cyclophane via Noncovalent Interactions with Naphthol","Journal of Organic Chemistry","2006","71","","4723","4733","10.1021/jo0600196","","","0.7107","MoKα","","","0.0455","","","","0.1144","","","","","","1.274","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021753","8.061","0.004","24.011","0.01","15.935","0.007","90","","104.634","0.0015","90","","2984","2","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C72 H68 N4 O14 -","- C72 H68 N4 O14 -","- C144 H136 N8 O28 -","2","0.5","","Shin-ichiro Kato; Taisuke Matsumoto; Keiko Ideta; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Supramolecular Assemblies and Redox Modulation of Pyromellitic Diimide-Based Cyclophane via Noncovalent Interactions with Naphthol","Journal of Organic Chemistry","2006","71","","4723","4733","10.1021/jo0600196","","","0.7107","MoKα","","","0.0478","","","","0.1297","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021754","8.765","0.005","12.877","0.006","13.308","0.006","63.612","0.012","83.379","0.016","78.521","0.015","1318.1","1.1","123.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H60 N4 O13 -","- C62 H60 N4 O13 -","- C62 H60 N4 O13 -","1","0.5","","Shin-ichiro Kato; Taisuke Matsumoto; Keiko Ideta; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Supramolecular Assemblies and Redox Modulation of Pyromellitic Diimide-Based Cyclophane via Noncovalent Interactions with Naphthol","Journal of Organic Chemistry","2006","71","","4723","4733","10.1021/jo0600196","","","0.7107","MoKα","","","0.0436","","","","0.1351","","","","","","1.004","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021755","8.2594","0.0004","14.7704","0.0008","20.8394","0.0009","90.058","0.004","89.99","0.004","89.935","0.004","2542.3","0.2","100","","100","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 F N2 O4 -","- C30 H29 F N2 O4 -","- C120 H116 F4 N8 O16 -","4","1","","Tilak Chandra; Xiang Zou; Edward J. Valente; Kenneth L. Brown","Regio- and Stereoselective Glycosylation: Synthesis of 5-Haloimidazole α-Ribonucleosides","Journal of Organic Chemistry","2006","71","","5000","5003","10.1021/jo060087s","","x-ray","0.71073","MoKα","","0.0463","0.0378","","","0.0924","0.0953","","","","","","0.994","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021756","10.47","0.002","36.98","0.006","6.81","0.0008","90","","97.12","0.007","90","","2616.4","0.7","223.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 N2 O2 -","- C30 H35 N2 O2 -","- C120 H140 N8 O8 -","4","1","","Yozo Miura; Yoshikazu Muranaka; Yoshio Teki","New Method for the Synthesis of N-tert-Alkoxyarylaminyl Radicals","Journal of Organic Chemistry","2006","71","","4786","4794","10.1021/jo0600959","","","0.7107","MoKα","","","0.0941","","","","0.2242","","","","","","1.434","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021757","49.366","0.005","9.5302","0.0009","11.6401","0.0011","90","","98.786","0.005","90","","5412","0.9","203","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 Cl2 N2 O -","- C29 H31 Cl2 N2 O -","- C232 H248 Cl16 N16 O8 -","8","1","","Yozo Miura; Yoshikazu Muranaka; Yoshio Teki","New Method for the Synthesis of N-tert-Alkoxyarylaminyl Radicals","Journal of Organic Chemistry","2006","71","","4786","4794","10.1021/jo0600959","","","0.7107","MoKα","","0.0838","0.075","","","0.1601","0.1646","","","","","","1.183","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021758","21.1411","0.0008","12.4781","0.0005","8.2457","0.0003","90","","108.638","0.002","90","","2061.15","0.14","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H30 N8 O2 -","- C17 H30 N8 O2 -","- C68 H120 N32 O8 -","4","0.5","","David J. R. Brook; Gordon T. Yee","Radical-Radical Interaction through a Saturated Link: Methylenebis-6-oxoverdazyl","Journal of Organic Chemistry","2006","71","","4889","4895","10.1021/jo060165b","","","0.71073","MoKα","","0.0614","0.0435","","","0.1111","0.1233","","","","","","1.039","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021759","6.043","0.0005","6.9857","0.0005","21.1694","0.0018","90","","94.074","0.001","90","","891.4","0.12","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl3 N2 -","- C7 H5 Cl3 N2 -","- C28 H20 Cl12 N8 -","4","1","","Tomas Martinu; William P. Dailey","Reactivity of 1-Chloro-3-phenyldiazirines","Journal of Organic Chemistry","2006","71","","5012","5015","10.1021/jo060341g","","","0.71069","MoKα","","0.0283","0.0264","","","0.0694","0.0706","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021760","12.5066","0.0011","6.4952","0.0006","12.8842","0.0012","90","","116.588","0.002","90","","935.94","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C40 H42 N2 O10 -","2","1","","Benito Alcaide; Pedro Almendros; Amparo Luna; M. Rosario Torres","Proline-Catalyzed Diastereoselective Direct Aldol Reaction between 4-Oxoazetidine-2-carbaldehydes and Ketones","Journal of Organic Chemistry","2006","71","","4818","4822","10.1021/jo0604235","","","0.71073","MoKα","","0.0929","0.0402","","","0.07","0.0837","","","","","","0.851","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021761","13.592","0.002","5.98","0.0009","13.892","0.002","90","","119.223","0.002","90","","985.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C44 H46 N2 O10 -","2","1","","Benito Alcaide; Pedro Almendros; Amparo Luna; M. Rosario Torres","Proline-Catalyzed Diastereoselective Direct Aldol Reaction between 4-Oxoazetidine-2-carbaldehydes and Ketones","Journal of Organic Chemistry","2006","71","","4818","4822","10.1021/jo0604235","","","0.71073","MoKα","","0.152","0.0517","","","0.101","0.1264","","","","","","0.825","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021762","7.543","0.0001","10.508","0.0002","21.921","0.0004","90","","90","","90","","1737.5","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 S -","- C20 H20 O4 S -","- C80 H80 O16 S4 -","4","1","","Don Antoine Lanfranchi; Gilles Hanquet","Asymmetric Diels-Alder Reactions of a New Enantiomerically Pure Sulfinylquinone: A Straightforward Access to Functionalized Wieland-Miescher Ketone Analogues with (R) Absolute Configuration","Journal of Organic Chemistry","2006","71","","4854","4861","10.1021/jo060486n","","","0.71073","MoKα","","0.048","0.0372","","","0.088","0.0937","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021763","8.938","0.005","9.571","0.004","9.327","0.005","90","","94.63","0.02","90","","795.3","0.7","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C30 H50 N2 O8 -","2","1","","Yoshikazu Sasaki; Ayumu Niida; Takashi Tsuji; Akira Shigenaga; Nobutaka Fujii; Akira Otaka","Stereoselective Synthesis of (Z)-Alkene-Containing Proline Dipeptide Mimetics","Journal of Organic Chemistry","2006","71","","4969","4979","10.1021/jo0606002","","","0.7107","MoKα","","","0.05","","","","0.098","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021764","5.209","0.001","8.188","0.002","18.667","0.006","90","","90","","90","","796.1","0.4","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O -","- C9 H13 N O -","- C36 H52 N4 O4 -","4","1","","Yoshikazu Sasaki; Ayumu Niida; Takashi Tsuji; Akira Shigenaga; Nobutaka Fujii; Akira Otaka","Stereoselective Synthesis of (Z)-Alkene-Containing Proline Dipeptide Mimetics","Journal of Organic Chemistry","2006","71","","4969","4979","10.1021/jo0606002","","","0.7107","MoKα","","","0.057","","","","0.156","","","","","","1.016","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021765","11.8863","0.0014","5.3819","0.0007","22.632","0.003","90","","101.436","0.002","90","","1419","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Osajaxanthone","","","- C18 H14 O5 -","- C18 H14 O5 -","- C72 H56 O20 -","4","1","","Mukulesh Mondal; Vedavati G. Puranik; Narshinha P. Argade","Facile Synthesis of 1,3,7-Trihydroxyxanthone and Its Regioselective Coupling Reactions with Prenal: Simple and Efficient Access to Osajaxanthone and Nigrolineaxanthone F","Journal of Organic Chemistry","2006","71","","4992","4995","10.1021/jo0606655","","","0.71073","MoKα","","0.068","0.0338","","","0.0724","0.0807","","","","","","0.842","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021766","18.5994","0.0009","10.662","0.0005","14.7627","0.0007","90","","102.537","0.001","90","","2857.7","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","NigrolineaxanthoneF","","","- C18 H14 O5 -","- C18 H14 O5 -","- C144 H112 O40 -","8","1","","Mukulesh Mondal; Vedavati G. Puranik; Narshinha P. Argade","Facile Synthesis of 1,3,7-Trihydroxyxanthone and Its Regioselective Coupling Reactions with Prenal: Simple and Efficient Access to Osajaxanthone and Nigrolineaxanthone F","Journal of Organic Chemistry","2006","71","","4992","4995","10.1021/jo0606655","","","0.71073","MoKα","","0.0479","0.0424","","","0.1095","0.1157","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021767","6.5552","0.0001","7.6732","0.0001","12.5769","0.0002","90","","98.603","0.001","90","","625.492","0.016","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H15 N -","- C16 H15 N -","- C32 H30 N2 -","2","1","","Manyam Praveen Kumar; Rai-Shung Liu","Zn(OTf)~2~-Catalyzed Cyclization of Proparyl Alcohols with Anilines, Phenols, and Amides for Synthesis of Indoles, Benzofurans, and Oxazoles through Different Annulation Mechanisms","Journal of Organic Chemistry","2006","71","","4951","4955","10.1021/jo0606711","","","0.71073","MoKα","","0.0588","0.0397","","","0.0908","0.1136","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021768","7.3484","0.0002","10.8617","0.0003","17.3118","0.0005","79.781","0.001","88.252","0.001","82.925","0.001","1349.43","0.07","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","2","","Manyam Praveen Kumar; Rai-Shung Liu","Zn(OTf)~2~-Catalyzed Cyclization of Proparyl Alcohols with Anilines, Phenols, and Amides for Synthesis of Indoles, Benzofurans, and Oxazoles through Different Annulation Mechanisms","Journal of Organic Chemistry","2006","71","","4951","4955","10.1021/jo0606711","","","0.71073","MoKα","","0.1492","0.0815","","","0.241","0.2831","","","","","","0.967","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021769","8.2284","0.0005","14.6764","0.0009","21.4924","0.0013","90","","90","","90","","2595.5","0.3","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O S -","- C14 H17 N O S -","- C112 H136 N8 O8 S8 -","8","1","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0371","0.0308","","","0.08","0.0851","","","","","","1.048","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021770","8.1328","0.0004","9.4467","0.0004","20.376","0.0009","90","","90","","90","","1565.45","0.12","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O S -","- C17 H24 O S -","- C68 H96 O4 S4 -","4","1","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0292","0.0276","","","0.0728","0.0738","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021771","14.3874","0.0014","5.6698","0.0006","24.607","0.003","90","","90","","90","","2007.3","0.4","163","2","163","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H15 F O -","- C12 H15 F O -","- C96 H120 F8 O8 -","8","2","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0635","0.0503","","","0.1352","0.1454","","","","","","1.046","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021772","6.1056","0.0007","11.1995","0.0014","12.5523","0.0015","93.171","0.002","101.992","0.002","105.393","0.002","803.9","0.17","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H26 O2 S -","- C17 H26 O2 S -","- C34 H52 O4 S2 -","2","1","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0554","0.0386","","","0.0957","0.107","","","","","","1.049","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021773","8.738","0.009","30.34","0.03","13.872","0.014","90","","91.031","0.016","90","","3677","6","148","2","148","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C144 H216 N8 O16 S8 -","8","2","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.2956","0.2421","","","0.5343","0.5669","","","","","","1.469","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021774","16.8009","0.0018","11.0584","0.0012","20.623","0.002","90","","90","","90","","3831.6","0.7","163","2","163","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H28 O S -","- C22 H28 O S -","- C176 H224 O8 S8 -","8","2","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0467","0.0335","","","0.0729","0.0808","","","","","","1.048","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021775","11.8808","0.0005","19.7939","0.0007","11.3706","0.0004","105.173","0.001","92.806","0.002","84.887","0.001","2569.6","0.2","293.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 F6 N O11 P -","- C50 H64 F6 N O11 P -","- C100 H128 F12 N2 O22 P2 -","2","1","","Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata","Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes","Journal of Organic Chemistry","2006","71","","5093","5104","10.1021/jo0601563","","","0.7107","MoKα","","","0.092","","","","0.265","","","","","","1.124","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021776","18.9561","0.0003","31.016","0.0005","16.5337","0.0003","90","","90","","90","","9720.9","0.3","296.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C52 H63 N O11 -","- C52 H63 N O11 -","- C416 H504 N8 O88 -","8","1","","Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata","Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes","Journal of Organic Chemistry","2006","71","","5093","5104","10.1021/jo0601563","","","0.7107","MoKα","","","0.045","","","","0.145","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021777","14.9969","0.0002","29.4294","0.0004","11.8503","0.0001","90","","90","","90","","5230.1","0.1","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H64 N2 O11 -","- C56 H64 N2 O11 -","- C224 H256 N8 O44 -","4","1","","Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata","Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes","Journal of Organic Chemistry","2006","71","","5093","5104","10.1021/jo0601563","","","0.7107","MoKα","","","0.045","","","","0.121","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021778","14.6538","0.0004","19.8519","0.0005","15.3287","0.0005","90","","93.445","0.001","90","","4451.1","0.2","296.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H59 N O11 -","- C46 H55 N O11 -","- C184 H220 N4 O44 -","4","1","","Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata","Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes","Journal of Organic Chemistry","2006","71","","5093","5104","10.1021/jo0601563","","","0.7107","MoKα","","","0.065","","","","0.191","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021779","8.5368","0.0008","8.8167","0.001","14.2494","0.0015","86.753","0.008","83.833","0.007","62.065","0.007","942.03","0.17","295","2","","","","","","","","","","2","P -1","-P 1","2","","","","- C24 H28 -","- C24 H28 -","- C48 H56 -","2","1","","Chao Chen; Chanjuan Xi; Yuanyuan Liu; Xiaoyin Hong","Generation of Benzocyclobutadiene Derivatives from Zirconaindene Derivatives","Journal of Organic Chemistry","2006","71","","5373","5376","10.1021/jo060334s","","","0.71073","MoKα","","0.0779","0.0487","","","0.0932","0.1082","","","","","","1.049","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021780","26.953","0.003","26.953","0.003","9.978","0.003","90","","90","","90","","7249","2","295","2","293","2","","","","","","","","2","I 41/a :2","-I 4ad","88","","9,10,diphenylphenanthrene","","- C26 H18 -","- C26 H18 -","- C416 H288 -","16","1","","Chao Chen; Chanjuan Xi; Yuanyuan Liu; Xiaoyin Hong","Generation of Benzocyclobutadiene Derivatives from Zirconaindene Derivatives","Journal of Organic Chemistry","2006","71","","5373","5376","10.1021/jo060334s","","","0.71073","MoKα","","0.3153","0.08","","","0.0889","0.1412","","","","","","0.795","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021781","5.7186","0.0003","11.3015","0.0005","32.3981","0.0016","90","","90","","90","","2093.85","0.18","298","2","298","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","1","","Lucile A. Gandon; Alexander G. Russell; Tatyana Güveli; Angela E. Brodwolf; Benson M. Kariuki; Neil Spencer; John S. Snaith","Synthesis of 2,4-Disubstituted Piperidines via Radical Cyclization: Unexpected Enhancement in Diastereoselectivity with Tris(trimethylsilyl)silane","Journal of Organic Chemistry","2006","71","","5198","5207","10.1021/jo060495w","","","1.54178","CuKα","","0.0566","0.0421","","","0.1056","0.115","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021782","8.2329","0.0011","12.4797","0.0016","20.963","0.003","90","","94.791","0.005","90","","2146.3","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H55 N3 O10 S -","- C44 H51 N3 O10 S -","- C88 H102 N6 O20 S2 -","2","1","","Lucile A. Gandon; Alexander G. Russell; Tatyana Güveli; Angela E. Brodwolf; Benson M. Kariuki; Neil Spencer; John S. Snaith","Synthesis of 2,4-Disubstituted Piperidines via Radical Cyclization: Unexpected Enhancement in Diastereoselectivity with Tris(trimethylsilyl)silane","Journal of Organic Chemistry","2006","71","","5198","5207","10.1021/jo060495w","","","1.54178","CuKα","","0.1308","0.1045","","","0.2861","0.3196","","","","","","1.272","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021783","5.439","0.005","8.173","0.001","15.782","0.002","90","","92.39","0.003","90","","700.9","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-methyl-5-oxo-1-phenylhex-1-en-3-yl acetate","","- C15 H18 O3 -","- C15 H18 O3 -","- C30 H36 O6 -","2","1","","Agnese Abate; Elisabetta Brenna; Alessia Costantini; Claudio Fuganti; Francesco G. Gatti; Luciana Malpezzi; Stefano Serra","Enzymatic Approach to Enantiomerically Pure 5-Alken-2,4-diols and 4-Hydroxy-5-alken-2-ones: Application to the Synthesis of Chiral Synthons","Journal of Organic Chemistry","2006","71","","5228","5240","10.1021/jo060581w","","","1.54179","CuKα","","0.0601","0.049","","","0.1231","0.1359","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021784","5.466","0.001","9.27","0.001","24.217","0.003","90","","90","","90","","1227.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-methyl-6-phenylhex-5-ene-2,4-diol","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Agnese Abate; Elisabetta Brenna; Alessia Costantini; Claudio Fuganti; Francesco G. Gatti; Luciana Malpezzi; Stefano Serra","Enzymatic Approach to Enantiomerically Pure 5-Alken-2,4-diols and 4-Hydroxy-5-alken-2-ones: Application to the Synthesis of Chiral Synthons","Journal of Organic Chemistry","2006","71","","5228","5240","10.1021/jo060581w","","","1.54179","CuKα","","0.1022","0.0807","","","0.1918","0.2152","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021785","31.54","0.005","5.608","0.005","8.403","0.005","90","0.005","102.653","0.005","90","0.005","1450.2","1.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","4-hydroxy-3-methyl-6-phenyl-5-en-2-yl acetate","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Agnese Abate; Elisabetta Brenna; Alessia Costantini; Claudio Fuganti; Francesco G. Gatti; Luciana Malpezzi; Stefano Serra","Enzymatic Approach to Enantiomerically Pure 5-Alken-2,4-diols and 4-Hydroxy-5-alken-2-ones: Application to the Synthesis of Chiral Synthons","Journal of Organic Chemistry","2006","71","","5228","5240","10.1021/jo060581w","","","1.54179","CuKα","","0.0667","0.0609","","","0.1728","0.1854","","","","","","1.125","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021786","8.1665","0.0012","12.191","0.003","25.975","0.006","90","","94.916","0.014","90","","2576.5","0.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 O3 S -","- C33 H30 O3 S -","- C132 H120 O12 S4 -","4","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.0716","0.0433","","","0.0963","0.11","","","","","","1.012","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021787","13.398","0.003","10.8","0.003","18.235","0.004","90","","91.853","0.015","90","","2637.2","1.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 O3 S -","- C33 H30 O3 S -","- C132 H120 O12 S4 -","4","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.0877","0.0492","","","0.1113","0.1321","","","","","","1.02","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021788","10.838","0.008","11.321","0.008","11.438","0.007","109.08","0.04","94.84","0.04","95.86","0.03","1309","1.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26 O3 S -","- C35 H26 O3 S -","- C70 H52 O6 S2 -","2","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.1537","0.1198","","","0.3556","0.3764","","","","","","1.031","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021789","10.228","0.004","10.607","0.003","14.554","0.005","76.54","0.02","87.73","0.02","62.9","0.02","1363","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26 O3 S -","- C35 H26 O3 S -","- C70 H52 O6 S2 -","2","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.0853","0.0459","","","0.1007","0.1203","","","","","","1.013","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021790","14.174","0.002","13.068","0.002","14.911","0.003","90","","90","","90","","2761.9","0.8","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C35 H26 O3 S -","- C35 H26 O3 S -","- C140 H104 O12 S4 -","4","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.0905","0.0493","","","0.0996","0.1179","","","","","","1.006","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021791","8.0947","0.0004","8.6895","0.0005","13.3367","0.0007","96.89","0.002","103.349","0.002","96.254","0.002","897.04","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","","Mateo Alajarín; José Cabrera; Aurelia Pastor; Pilar Sánchez-Andrada; Delia Bautista","On the [2+2] Cycloaddition of 2-Aminothiazoles and Dimethyl Acetylenedicarboxylate. Experimental and Computational Evidence of a Thermal Disrotatory Ring Opening of Fused Cyclobutenes","Journal of Organic Chemistry","2006","71","","5328","5339","10.1021/jo060664c","","","0.71073","MoKα","","0.0459","0.0429","","","0.1053","0.1075","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021792","8.6472","0.0006","12.6628","0.0008","15.9518","0.0011","90","","95.773","0.002","90","","1737.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O4 S -","- C18 H20 N2 O4 S -","- C72 H80 N8 O16 S4 -","4","1","","Mateo Alajarín; José Cabrera; Aurelia Pastor; Pilar Sánchez-Andrada; Delia Bautista","On the [2+2] Cycloaddition of 2-Aminothiazoles and Dimethyl Acetylenedicarboxylate. Experimental and Computational Evidence of a Thermal Disrotatory Ring Opening of Fused Cyclobutenes","Journal of Organic Chemistry","2006","71","","5328","5339","10.1021/jo060664c","","","0.71073","MoKα","","0.0342","0.032","","","0.0849","0.0869","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021793","13.156","0.0002","15.007","0.0002","21.406","0.0004","90","","106.766","0.001","90","","4046.58","0.11","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N6 O8 S4 -","- C40 H38 N6 O8 S4 -","- C160 H152 N24 O32 S16 -","4","0.5","","Václav Št'astný; Ivan Stibor; Ivana Císarřová; Jan Sýkora; Michaela Pojarová; Pavel Lhoták","Synthesis of Unique Cagelike Thiacalix[4]arene Derivatives in a 1,3-Alternate Conformation","Journal of Organic Chemistry","2006","71","","5404","5406","10.1021/jo0607358","","","0.71073","MoKα","","0.0526","0.0415","","0.0601","0.0507","0.0507","","","","","","1.0662","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021794","13.38","0.0003","14.444","0.0003","15.927","0.0004","78.831","0.0014","70.965","0.0011","87.133","0.0014","2854.36","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H57.2 N4 O10 S4 -","- C64 H57.2 N4 O10 S4 -","- C128 H114.4 N8 O20 S8 -","2","1","","Václav Št'astný; Ivan Stibor; Ivana Císarřová; Jan Sýkora; Michaela Pojarová; Pavel Lhoták","Synthesis of Unique Cagelike Thiacalix[4]arene Derivatives in a 1,3-Alternate Conformation","Journal of Organic Chemistry","2006","71","","5404","5406","10.1021/jo0607358","","","0.71073","MoKα","","0.0623","0.0412","","0.0652","0.0486","0.0486","","","","","","1.1044","","","","has coordinates,has disorder","208244","2020-10-21","18:00:00",""
"4021795","21.518","0.0001","27.62","0.0002","18.686","0.0002","90","","107.492","0.0004","90","","10592.1","0.15","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.5 H65 Cl N4 O8 S4 -","- C52.5 H65 Cl N4 O8 S4 -","- C420 H520 Cl8 N32 O64 S32 -","8","2","","Václav Št'astný; Ivan Stibor; Ivana Císarřová; Jan Sýkora; Michaela Pojarová; Pavel Lhoták","Synthesis of Unique Cagelike Thiacalix[4]arene Derivatives in a 1,3-Alternate Conformation","Journal of Organic Chemistry","2006","71","","5404","5406","10.1021/jo0607358","","","0.71073","MoKα","","0.0756","0.0506","","0.0758","0.059","0.059","","","","","","1.0892","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021796","8.4065","0.0003","16.0349","0.0007","9.6956","0.0004","90","","91.027","0.001","90","","1306.73","0.09","90","1","90","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 Br2 N O6 -","- C27 H27 Br2 N O6 -","- C54 H54 Br4 N2 O12 -","2","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0254","0.0216","","","0.0467","0.0474","","","","","","0.985","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021797","20.5888","0.0005","6.8523","0.0002","15.1405","0.0003","90","","111.949","0.001","90","","1981.19","0.08","90","0.1","90","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H18 Br2 O5 -","- C22 H18 Br2 O5 -","- C88 H72 Br8 O20 -","4","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0186","0.0179","","","0.045","0.0452","","","","","","1.044","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021798","7.2726","0.0002","15.5701","0.0005","10.5727","0.0003","90","","102.539","0.001","90","","1168.65","0.06","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","7-(4-Bromo-phenyl)-2-oxa-bicyclo[4.1.0]heptane- 7-carboxylic acid methyl ester","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C52 H52 Br4 O12 -","4","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0155","0.0152","","","0.038","0.038","","","","","","0.931","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021799","10.788","0.0002","9.0472","0.0002","11.5689","0.0002","90","","94.443","0.001","90","","1125.75","0.04","90","2","90","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 Br2 O5 -","- C24 H22 Br2 O5 -","- C48 H44 Br4 O10 -","2","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0238","0.0212","","","0.0503","0.0508","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021800","9.0996","0.0008","9.6184","0.0009","16.7505","0.0015","90","","90","","90","","1466.1","0.2","90","1","90","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[4-Bromophenyl]-1a,6a-dihydro-1H-6-oxacyclopropa[a]indene-1-carboxylic acid methyl ester","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0209","0.018","","","0.0405","0.0412","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021801","9.4056","0.0008","9.2688","0.0009","19.5943","0.0015","90","","93.333","0.003","90","","1705.3","0.3","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H36 Br N O8 -","- C39 H36 Br N O8 -","- C78 H72 Br2 N2 O16 -","2","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0489","0.0407","","","0.087","0.089","","","","","","1.265","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021802","9.0453","0.0012","9.4904","0.0013","12.2205","0.0017","103.268","0.002","96.557","0.002","109.701","0.002","940","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 I N5 -","- C17 H22 I N5 -","- C34 H44 I2 N10 -","2","1","","Fanlong Zeng; Zhengkun Yu","Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions","Journal of Organic Chemistry","2006","71","","5274","5281","10.1021/jo060795d","","","0.71073","MoKα","","0.0356","0.0318","","","0.0752","0.0767","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021803","13.5919","0.0014","19.444","0.002","20.692","0.002","67.405","0.002","74.981","0.002","75.348","0.002","4803.6","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H27 B Cl F4 N5 Pd -","- C20 H19.5 B Cl F4 N5 Pd -","- C160 H156 B8 Cl8 F32 N40 Pd8 -","8","4","","Fanlong Zeng; Zhengkun Yu","Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions","Journal of Organic Chemistry","2006","71","","5274","5281","10.1021/jo060795d","","","0.71073","MoKα","","0.1714","0.07","","","0.1729","0.1981","","","","","","0.88","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021804","16.2963","0.0018","8.7755","0.0009","17.3718","0.0019","90","","99.707","0.002","90","","2448.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cl N5 O2 -","- C24 H32 Cl N5 O2 -","- C96 H128 Cl4 N20 O8 -","4","1","","Fanlong Zeng; Zhengkun Yu","Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions","Journal of Organic Chemistry","2006","71","","5274","5281","10.1021/jo060795d","","","0.71073","MoKα","","0.1006","0.0523","","","0.11","0.1243","","","","","","0.853","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021805","22.812","0.003","15.838","0.002","14.956","0.002","90","","90","","90","","5403.8","1.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H34 Cl2 N5 O1.5 Pd -","- C26 H29 Cl2 N5 O1.5 Pd -","- C208 H232 Cl16 N40 O12 Pd8 -","8","1","","Fanlong Zeng; Zhengkun Yu","Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions","Journal of Organic Chemistry","2006","71","","5274","5281","10.1021/jo060795d","","","0.71073","MoKα","","0.1166","0.0603","","","0.1545","0.1712","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021806","11.579","0.002","7.248","0.0014","11.656","0.002","90","","103.7","0.03","90","","950.4","0.3","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H23 O10 -","- C16 H22 O10 -","- C32 H44 O20 -","2","1","","Jialong Yuan; Kristof Lindner; Holger Frauenrath","1-O-Vinyl Glycosides via Tebbe Olefination, Their Use as Chiral Auxiliaries and Monomers","Journal of Organic Chemistry","2006","71","","5457","5467","10.1021/jo0600510","","","1.54178","CuKα","","0.1465","0.1087","","","0.2648","0.3243","","","","","","1.336","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021807","9.667","0.0019","10.054","0.002","12.664","0.003","90","","108.47","0.03","90","","1167.4","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl2 O11 -","- C18 H24 Cl2 O11 -","- C36 H48 Cl4 O22 -","2","1","","Jialong Yuan; Kristof Lindner; Holger Frauenrath","1-O-Vinyl Glycosides via Tebbe Olefination, Their Use as Chiral Auxiliaries and Monomers","Journal of Organic Chemistry","2006","71","","5457","5467","10.1021/jo0600510","","","1.54178","CuKα","","0.0756","0.0737","","","0.1903","0.1946","","","","","","1.167","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021808","6.542","0.0008","11.3679","0.0012","11.5336","0.0012","79.169","0.007","75.112","0.008","85.849","0.01","813.92","0.16","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Br Cl N O2 -","- C16 H17 Br Cl N O2 -","- C32 H34 Br2 Cl2 N2 O4 -","2","1","","Albert Padwa; Kenneth R. Crawford; Christopher S. Straub; Susan N. Pieniazek; K. N. Houk","Halo Substituent Effects on Intramolecular Cycloadditions Involving Furanyl Amides","Journal of Organic Chemistry","2006","71","","5432","5439","10.1021/jo0602322","","","1.54178","CuKα","","0.0364","0.035","","","0.0899","0.0909","","","","","","1.122","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021809","9.6959","0.001","9.2239","0.0006","36.216","0.003","90","","92.532","0.008","90","","3235.8","0.5","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br Cl N O2 -","- C16 H17 Br Cl N O2 -","- C128 H136 Br8 Cl8 N8 O16 -","8","2","","Albert Padwa; Kenneth R. Crawford; Christopher S. Straub; Susan N. Pieniazek; K. N. Houk","Halo Substituent Effects on Intramolecular Cycloadditions Involving Furanyl Amides","Journal of Organic Chemistry","2006","71","","5432","5439","10.1021/jo0602322","","","1.54178","CuKα","","0.0658","0.046","","","0.1139","0.1266","","","","","","1.033","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021810","11.4799","0.0009","11.002","0.0008","13.6671","0.0011","90","","102.557","0.002","90","","1684.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H50 O4 Si2 -","- C32 H50 O4 Si2 -","- C64 H100 O8 Si4 -","2","1","","Paula Álvarez-Bercedo; Juan Murga; Miguel Carda; J. Alberto Marco","Stereoselective Synthesis of the Published Structure of Feigrisolide A. Structural Revision of Feigrisolides A and B","Journal of Organic Chemistry","2006","71","","5766","5769","10.1021/jo060314q","","","0.71073","MoKα","","0.1644","0.0601","","","0.0918","0.1196","","","","","","0.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021811","9.879","0.005","9.971","0.005","13.983","0.006","65.57","0.02","72.71","0.02","82.83","0.03","1197.5","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","compound 11b","","","- C23 H21 Cl4 O3 P Si -","- C23 H21 Cl4 O3 P Si -","- C46 H42 Cl8 O6 P2 Si2 -","2","1","","Shohei Sase; Naokazu Kano; Takayuki Kawashima","Pentacoordinate 1H-Phosphirenes: Reactivity, Bonding Properties, and Substituent Effects on Their Structures and Thermal Stability","Journal of Organic Chemistry","2006","71","","5448","5456","10.1021/jo060358z","","","0.7107","MoKα","","0.0465","0.0353","","","0.0872","0.0951","","","","","","1.072","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021812","11.908","0.014","13.215","0.015","16.772","0.019","90","","90","","90","","2639","5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound15","","","- C26 H16 Br Cl4 O3 P -","- C26 H16 Br Cl4 O3 P -","- C104 H64 Br4 Cl16 O12 P4 -","4","1","","Shohei Sase; Naokazu Kano; Takayuki Kawashima","Pentacoordinate 1H-Phosphirenes: Reactivity, Bonding Properties, and Substituent Effects on Their Structures and Thermal Stability","Journal of Organic Chemistry","2006","71","","5448","5456","10.1021/jo060358z","","","0.7107","MoKα","","0.1906","0.1557","","","0.3205","0.3419","","","","","","1.19","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021813","10.049","0.003","10.577","0.003","13.329","0.005","70.756","0.017","74.706","0.018","61.338","0.015","1164.1","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","compound 4a","","","- C26 H15 Cl4 O2 P -","- C26 H15 Cl4 O2 P -","- C52 H30 Cl8 O4 P2 -","2","1","","Shohei Sase; Naokazu Kano; Takayuki Kawashima","Pentacoordinate 1H-Phosphirenes: Reactivity, Bonding Properties, and Substituent Effects on Their Structures and Thermal Stability","Journal of Organic Chemistry","2006","71","","5448","5456","10.1021/jo060358z","","","0.7107","MoKα","","0.0374","0.0307","","","0.0749","0.079","","","","","","1.036","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021814","5.3816","0.0018","8.385","0.003","27.511","0.009","90","","90","","90","","1241.4","0.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1a","","","- C16 H12 O Se -","- C16 H12 O Se -","- C64 H48 O4 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","0.0254","0.0234","","","0.0457","0.0466","","","","","","1.059","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021815","8.365","0.003","5.537","0.002","38.84","0.003","90","","94.81","0.02","90","","1792.8","1","292.2","","292.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 O2 Se -","- C23 H18 O2 Se -","- C92 H72 O8 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0452","","","0.0329","","","","","1.568","1.568","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021816","9.167","0.001","10.057","0.002","7.759","0.001","106.35","0.01","97.32","0.01","84.94","0.01","679.8","0.2","292.2","","292.2","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl O Se -","- C16 H11 Cl O Se -","- C32 H22 Cl2 O2 Se2 -","2","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.03","","","0.0314","","","","","1.156","1.156","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021817","13.592","0.003","14.685","0.003","7.444","0.001","102.74","0.02","98.73","0.02","71.54","0.02","1369.3","0.5","292.2","","292.2","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 N O3 Se -","- C16 H11 N O3 Se -","- C64 H44 N4 O12 Se4 -","4","2","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0419","","","0.0307","","","","","1.528","1.528","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021818","8.03","0.002","17.143","0.002","10.335","0.002","90","","99.31","0.02","90","","1404.1","0.4","298.2","","298.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cl2 O Se -","- C16 H10 Cl2 O Se -","- C64 H40 Cl8 O4 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0488","","","0.0513","","","","","1.087","1.087","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021819","4.936","0.002","11.336","0.005","13.923","0.006","108.452","0.006","98.946","0.005","93.199","0.004","725.4","0.5","103","2","103","2","","","","","","","","5","P -1","-P 1","2","4b","","","- C17 H13 Br O2 Se -","- C17 H13 Br O2 Se -","- C34 H26 Br2 O4 Se2 -","2","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","0.0292","0.0245","","","0.0512","0.0533","","","","","","1.061","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021820","24.671","0.004","14.074","0.004","8.717","0.003","89","","89","","90","","3026","2","292.2","","292.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Se -","- C20 H14 Se -","- C160 H112 Se8 -","8","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0435","","","0.0312","","","","","1.757","1.757","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021821","8.401","0.002","29.632","0.004","5.448","0.004","90","","90","","90","","1356.2","0.9","292.2","","292.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O Se -","- C17 H14 O Se -","- C68 H56 O4 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0408","","","0.0411","","","","","1.796","1.796","","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021822","7.241","0.002","8.759","0.003","22.891","0.002","90","","93.14","0.02","90","","1449.7","0.5","292.2","","292.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F O2 Se -","- C17 H13 F O2 Se -","- C68 H52 F4 O8 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0331","","","0.0357","","","","","1.843","1.843","","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021823","12.955","0.002","7.278","0.002","19.129","0.002","90","","99.985","0.01","90","","1776.4","0.5","292.2","","292.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl O Se -","- C20 H19 Cl O Se -","- C80 H76 Cl4 O4 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0412","","","0.0346","","","","","1.857","1.857","","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021824","17.592","0.004","7.785","0.003","24.445","0.003","90","0.02","114.25","0.01","90.01","0.03","3052","1","292.2","","292.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 O Se -","- C20 H14 O Se -","- C160 H112 O8 Se8 -","8","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0349","","","0.037","","","","","1.798","1.798","","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021825","7.128","0.0005","11.738","0.0009","17.068","0.003","90","","90","","90","","1428.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 B N P -","- C12 H23 B N P -","- C48 H92 B4 N4 P4 -","4","1","","Jean-Valère Naubron; Laurent Giordano; Frédéric Fotiadu; Thomas Bürgi; Nicolas Vanthuyne; Christian Roussel; Gérard Buono","Chromatographic Resolution, Solution and Crystal Phase Conformations, and Absolute Configuration of tert-Butyl(dimethylamino)phenylphosphine-Borane Complex","Journal of Organic Chemistry","2006","71","","5586","5593","10.1021/jo0605647","","","0.71073","MoKα","","0.0445","0.0389","","","0.097","0.1009","","","","","","1.113","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021826","9.35","0.003","20.265","0.006","9.956","0.003","90","","113.142","0.0011","90","","1734.6","1","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H21 O4 P -","- C19 H21 O4 P -","- C76 H84 O16 P4 -","4","1","","Yoshihiro Matano; Tooru Miyajima; Takashi Nakabuchi; Yuichiro Matsutani; Hiroshi Imahori","A Convenient Method for the Synthesis of 2,5-Difunctionalized Phospholes Bearing Ester Groups","Journal of Organic Chemistry","2006","71","","5792","5795","10.1021/jo0605748","","","0.7107","MoKα","","","0.0503","","","","0.1221","","","","","","1.161","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021827","7.995","0.008","9.958","0.01","12.6","0.01","100.03","0.01","92.439","0.008","97.54","0.01","977","1","200.2","","","","","","","","","","","5","P -1","-P 1","2","EDT-TnbU","2-{4-(N1'-n-Butyluracil-5'-yl)-1,3-dithiole-2-ylidene}-5,6-dihydro- 1,3-dithiole[4,5-b][1,4]dithiin","","- C16 H16 N2 O2 S6 -","- C16 H16 N2 O2 S6 -","- C32 H32 N4 O4 S12 -","2","1","","Yasushi Morita; Eigo Miyazaki; Yoshikazu Umemoto; Kozo Fukui; Kazuhiro Nakasuji","Two-Dimensional Networks of Ethylenedithiotetrathiafulvalene Derivatives with the Hydrogen-Bonded Functionality of Uracil, and Channel Structure of Its Tetracyanoquinodimethane Complex","Journal of Organic Chemistry","2006","71","","5631","5637","10.1021/jo060748l","","","0.7107","MoKα","","","0.0414","","","","0.1182","","","","","","2.419","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021828","36.01","0.02","5.545","0.003","23.48","0.01","90","","125.16","0.02","90","","3833","3","200.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","EDT-TphU","2-{4-(N1'-n-Phenyluracil-5'-yl)-1,3-dithiole-2-ylidene}-5,6-dihydro- 1,3-dithiole[4,5-b][1,4]dithiin","","- C18 H12 N2 O2 S6 -","- C18 H12 N2 O2 S6 -","- C144 H96 N16 O16 S48 -","8","1","","Yasushi Morita; Eigo Miyazaki; Yoshikazu Umemoto; Kozo Fukui; Kazuhiro Nakasuji","Two-Dimensional Networks of Ethylenedithiotetrathiafulvalene Derivatives with the Hydrogen-Bonded Functionality of Uracil, and Channel Structure of Its Tetracyanoquinodimethane Complex","Journal of Organic Chemistry","2006","71","","5631","5637","10.1021/jo060748l","","","0.7107","MoKα","","","0.0501","","","","0.1099","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021829","4.518","0.002","14.316","0.005","18.966","0.006","89.77","0.01","89.155","0.01","86.373","0.009","1224.2","0.7","113.2","","","","","","","","","","","5","P -1","-P 1","2","EDT-TnbU-TCNQ","2-{4-(N1'-n-Butyluracil-5'-yl)-1,3-dithiole-2-ylidene}-5,6-dihydro- 1,3-dithiole[4,5-b][1,4]dithiin Tetracyanoquinodimethane Complex","","- C44 H36 N8 O4 S12 -","- C44 H36 N8 O4 S12 -","- C44 H36 N8 O4 S12 -","1","0.5","","Yasushi Morita; Eigo Miyazaki; Yoshikazu Umemoto; Kozo Fukui; Kazuhiro Nakasuji","Two-Dimensional Networks of Ethylenedithiotetrathiafulvalene Derivatives with the Hydrogen-Bonded Functionality of Uracil, and Channel Structure of Its Tetracyanoquinodimethane Complex","Journal of Organic Chemistry","2006","71","","5631","5637","10.1021/jo060748l","","","0.7107","MoKα","","","0.0636","","","","0.1373","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021830","6.6934","0.0001","29.198","0.0005","26.3649","0.0006","90","","96.4756","0.0006","90","","5119.72","0.16","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H66 N12 O6 -","- C45 H66 N12 O6 -","- C180 H264 N48 O24 -","4","1","","Philippe Le Grel; Arnaud Salaün; Michel Potel; Barbara Le Grel; Fredéric Lassagne","Aza-β^3^-Cyclohexapeptides: Pseudopeptidic Macrocycles with Interesting Conformational and Configurational Properties Slow Pyramidal Nitrogen Inversion in 24-Membered Rings!","Journal of Organic Chemistry","2006","71","","5638","5645","10.1021/jo0608467","","x-ray","0.71069","MoKα","","0.1766","0.0593","","","0.1362","0.1791","","","","","","0.965","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021831","9.8078","0.0003","11.5104","0.0003","12.6508","0.0004","100.932","0.0011","109.33","0.0011","98.4297","0.0013","1288.98","0.07","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C54 H60 N12 O6 -","- C54 H60 N12 O6 -","- C54 H60 N12 O6 -","1","0.5","","Philippe Le Grel; Arnaud Salaün; Michel Potel; Barbara Le Grel; Fredéric Lassagne","Aza-β^3^-Cyclohexapeptides: Pseudopeptidic Macrocycles with Interesting Conformational and Configurational Properties Slow Pyramidal Nitrogen Inversion in 24-Membered Rings!","Journal of Organic Chemistry","2006","71","","5638","5645","10.1021/jo0608467","","x-ray","0.71069","MoKα","","0.071","0.0448","","","0.1164","0.1327","","","","","","1.026","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021832","25.344","0.003","10.264","0.001","19.173","0.002","90","","123.41","0.01","90","","4163.3","0.9","150","2","293","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 N12 O6 -","- C36 H56 N12 O6 -","- C144 H224 N48 O24 -","4","0.5","","Philippe Le Grel; Arnaud Salaün; Michel Potel; Barbara Le Grel; Fredéric Lassagne","Aza-β^3^-Cyclohexapeptides: Pseudopeptidic Macrocycles with Interesting Conformational and Configurational Properties Slow Pyramidal Nitrogen Inversion in 24-Membered Rings!","Journal of Organic Chemistry","2006","71","","5638","5645","10.1021/jo0608467","","x-ray","0.71069","MoKα","","0.0486","0.0412","","","0.1074","0.1137","","","","","","1.041","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021833","13.9628","0.0005","11.9516","0.0004","15.2533","0.0005","90","","116.052","0.001","90","","2286.81","0.13","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Syn-N-[(cis-1-benzenesulfonyl-2-chloro-3-(4-chlorophenyl) aziridin-2-yl)phenylmethyl]isopropylamine","","- C24 H24 Cl2 N2 O2 S -","- C24 H24 Cl2 N2 O2 S -","- C96 H96 Cl8 N8 O8 S4 -","4","1","","Nicola Giubellina; Sven Mangelinckx; Karl W. Törnroos; Norbert De Kimpe","Synthesis of 2-Chloro-2-imidoylaziridines via Aza-Darzens-type Reaction of 3,3-Dichloro-1-azaallylic Anions and N-(Arylsulfonyl)imines","Journal of Organic Chemistry","2006","71","","5881","5887","10.1021/jo060241a","","","0.71073","MoKα","","0.0334","0.0296","","","0.0796","0.0829","","","","","","1.036","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021834","33.411","0.004","7.6918","0.0006","32.527","0.005","90","","93.011","0.004","90","","8347.8","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","chlorin45","","","- C45 H36 F3 N7 O6 -","- C45 H36 F3 N7 O6 -","- C360 H288 F24 N56 O48 -","8","1","","Michał Gałȩzowski; Daniel T. Gryko","Synthesis of Locked meso-β-Substituted Chlorins via 1,3-Dipolar Cycloaddition","Journal of Organic Chemistry","2006","71","","5942","5950","10.1021/jo060545x","","","0.71073","MoKα","","0.1187","0.0653","","","0.1517","0.1737","","","","","","0.935","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021835","8.7553","0.001","11.861","0.002","14.22","0.002","90.409","0.01","90.473","0.01","111.535","0.01","1373.5","0.4","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 I N2 O -","- C28 H39 I N2 O -","- C56 H78 I2 N4 O2 -","2","1","","Attila Paczal; Attila C. Bényei; András Kotschy","Modular Synthesis of Heterocyclic Carbene Precursors","Journal of Organic Chemistry","2006","71","","5969","5979","10.1021/jo060594+","","x-ray","0.71073","MoKα","","0.056","0.0496","","","0.1366","0.1416","","","","","","1.015","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021836","5.502","0.007","6.094","0.007","12.278","0.014","95.19","0.01","91.88","0.01","108.79","0.01","387.3","0.8","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C17 H23 N O4 -","1","1","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0373","0.0368","","","0.089","0.0893","","","","","","1.239","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021837","15.041","0.017","15.047","0.017","14.156","0.016","90","","90","","90","","3204","6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C136 H184 N8 O32 -","8","2","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0666","0.0568","","","0.1371","0.1422","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021838","10.311","0.012","11.648","0.013","13.537","0.015","90","","90","","90","","1626","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0908","0.0756","","","0.155","0.1624","","","","","","1.262","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021839","6.24","0.009","10.604","0.012","19.21","0.02","90","","90","","90","","1271","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0578","0.0448","","","0.1126","0.1195","","","","","","0.936","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021840","8.4981","0.0012","8.948","0.0013","11.3983","0.0016","90","","109.065","0.002","90","","819.2","0.2","571","2","571","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,7-Diisopropyl-4a,10a-dihydro-thianthrene","","- C18 H20 S2 -","- C18 H20 S2 -","- C36 H40 S4 -","2","1","","Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti","Ring Inversion Dynamics of Derivatives of Thianthrene Di- and Tetraoxide","Journal of Organic Chemistry","2006","71","","6248","6250","10.1021/jo0606610","","","0.71073","MoKα","","0.0413","0.0395","","","0.1061","0.1081","","","","","","1.064","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021841","10.899","0.0003","5.554","0.0001","17.6497","0.0003","90","","107.704","0.0014","90","","1017.79","0.04","200","","200","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C44 H56 O16 -","4","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.044","0.0333","","0.0478","0.0421","0.0421","","","","","","1.0045","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021842","17.9961","0.0005","8.5436","0.0002","13.6219","0.0004","90","","94.962","0.0015","90","","2086.54","0.1","200","","200","","","","","","","","local","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C88 H112 O32 -","8","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0638","0.0372","","0.0265","0.0238","0.0238","","","","","","1.0403","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021843","11.1852","0.0004","12.1545","0.0005","14.9021","0.0005","90","","90","","90","","2025.95","0.13","200","","200","","","","","","","","local","3","P b c n","-P 2n 2ab","60","","","","- C13 H12 O2 -","- C13 H12 O2 -","- C104 H96 O16 -","8","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0718","0.0319","","0.0699","0.0366","0.0366","","","","","","1.1094","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021844","14.0629","0.0003","5.2062","0.0001","14.6596","0.0003","90","","93.5888","0.0011","90","","1071.19","0.04","200","","200","","","","","","","","?","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0413","0.0305","","0.0423","0.0386","0.0386","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021845","5.8162","0.0001","19.9828","0.0006","21.1044","0.0006","90","","90","","90","","2452.84","0.11","200","","200","","","","","","","","local","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C120 H112 O32 -","8","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0644","0.0353","","0.0612","0.0389","0.0389","","","","","","1.1352","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021846","5.1908","0.0002","10.1089","0.0005","11.0009","0.0006","90.472","0.002","103.348","0.003","103.337","0.003","545.36","0.05","200","","200","","","","","","","","?","3","P -1","-P 1","2","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C28 H28 O4 -","2","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0377","0.0358","","0.0412","0.0397","0.0397","","","","","","1.1143","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021847","11.7727","0.0002","9.2254","0.0002","12.0539","0.0003","90","","106.374","0.0014","90","","1256.05","0.05","200","","200","","","","","","","","local","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0475","0.0345","","0.0494","0.0412","0.0412","","","","","","1.0484","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021848","7.666","0.0018","9.906","0.002","11.42","0.003","80.496","0.003","82.929","0.004","88.154","0.004","848.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C42 H50 N2 O6 -","2","1","","Yugang Chen; Mark G. Steinmetz","Photoactivation of Amino-Substituted 1,4-Benzoquinones for Release of Carboxylate and Phenolate Leaving Groups Using Visible Light","Journal of Organic Chemistry","2006","71","","6053","6060","10.1021/jo060790g","","","0.71073","MoKα","","0.1015","0.0601","","","0.1424","0.1625","","","","","","0.999","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021849","8.6303","0.0006","7.5224","0.0005","17.1285","0.0012","90","","98.932","0.001","90","","1098.51","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl2 N O2 -","- C11 H11 Cl2 N O2 -","- C44 H44 Cl8 N4 O8 -","4","1","","Yugang Chen; Mark G. Steinmetz","Photoactivation of Amino-Substituted 1,4-Benzoquinones for Release of Carboxylate and Phenolate Leaving Groups Using Visible Light","Journal of Organic Chemistry","2006","71","","6053","6060","10.1021/jo060790g","","","0.71073","MoKα","","0.0308","0.028","","","0.0791","0.0811","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021850","27.19","0.003","11.435","0.001","14.976","0.002","90","","113.257","0.009","90","","4278","1","153.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 S4 Si2 -","- C20 H20 S4 Si2 -","- C160 H160 S32 Si16 -","8","1","","Yoshihiro Miyake; Mo Wu; M. Jalilur Rahman; Yoshiyuki Kuwatani; Masahiko Iyoda","Efficient Construction of Biaryls and Macrocyclic Cyclophanes via Electron-Transfer Oxidation of Lipshutz Cuprates","Journal of Organic Chemistry","2006","71","","6110","6117","10.1021/jo0608063","","","0.7107","MoKα","","","0.0322","","","","0.1031","","","","","","1.163","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021851","11.358","0.002","15.466","0.004","9.749","0.002","90","","90","","90","","1712.5","0.6","298.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C96 H64 O8 -","4","1","","Yoshihiro Miyake; Mo Wu; M. Jalilur Rahman; Yoshiyuki Kuwatani; Masahiko Iyoda","Efficient Construction of Biaryls and Macrocyclic Cyclophanes via Electron-Transfer Oxidation of Lipshutz Cuprates","Journal of Organic Chemistry","2006","71","","6110","6117","10.1021/jo0608063","","","0.7107","MoKα","","","0.0606","","","","0.2111","","","","","","1.932","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021852","29.66","0.012","4.99","0.002","22.643","0.01","90","","126.593","0.006","90","","2691","2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C36 H36 O4 -","- C36 H36 O4 -","- C144 H144 O16 -","4","1","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.1146","0.0594","","","0.096","0.1109","","","","","","0.916","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021853","13.635","0.003","7.9222","0.0014","20.448","0.004","90","","90.694","0.003","90","","2208.7","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 O4 -","- C26 H34 O4 -","- C104 H136 O16 -","4","1","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.0645","0.0468","","","0.1186","0.1279","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021854","11.2907","0.0006","11.2907","0.0006","79.253","0.008","90","","90","","120","","8749.5","1.1","100","2","100","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C23 H26 O2 -","- C23 H26 O2 -","- C414 H468 O36 -","18","0.5","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.0561","0.0504","","","0.1394","0.1455","","","","","","0.969","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021855","4.7571","0.0009","14.256","0.003","15.113","0.003","90","","91.62","0.003","90","","1024.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 O4 -","- C24 H30 O4 -","- C48 H60 O8 -","2","0.5","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.0635","0.0448","","","0.1176","0.1283","","","","","","1.027","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021856","8.0925","0.0007","22.9034","0.0019","10.7566","0.0009","90","","111.796","0.001","90","","1851.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Br2 O4 -","- C20 H18 Br2 O4 -","- C80 H72 Br8 O16 -","4","1","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.0454","0.0303","","","0.0692","0.0727","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021857","26.881","0.003","4.4185","0.0004","13.2856","0.0013","90","","90","","90","","1578","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H14 Br2 O2 -","- C18 H14 Br2 O2 -","- C72 H56 Br8 O8 -","4","1","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.038","0.0295","","","0.061","0.0634","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021858","9.0744","0.0008","12.5038","0.0012","19.0417","0.0018","90","","90","","90","","2160.6","0.3","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C120 H80 N8 -","4","1","","Yi-Heng Sun; Xu-Hui Zhu; Zhao Chen; Yong Zhang; Yong Cao","Potential Solution Processible Phosphorescent Iridium Complexes toward Applications in Doped Light-Emitting Diodes: Rapid Syntheses and Optical and Morphological Characterizations","Journal of Organic Chemistry","2006","71","","6281","6284","10.1021/jo060840h","","","0.71073","MoKα","","0.0437","0.0335","","","0.0757","0.0816","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021859","7.2373","0.0004","13.5582","0.0008","19.6995","0.0011","90","","90","","90","","1933.01","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","","Sreekanth A. Ramachandran; Rajendra K. Kharul; Sylvain Marque; Pierre Soucy; Frédéric Jacques; Robert Chênevert; Pierre Deslongc","Synthetic Studies toward Highly Functionalized 5β-Lanosterol Derivatives: A Versatile Approach Utilizing Anionic Cycloaddition","Journal of Organic Chemistry","2006","71","","6149","6156","10.1021/jo0608725","","","0.71073","MoKα","","0.0414","0.0328","","","0.0765","0.0813","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021860","7.9606","0.0005","9.3051","0.0006","25.7461","0.0016","90","","90","","90","","1907.1","0.2","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","","Sreekanth A. Ramachandran; Rajendra K. Kharul; Sylvain Marque; Pierre Soucy; Frédéric Jacques; Robert Chênevert; Pierre Deslongc","Synthetic Studies toward Highly Functionalized 5β-Lanosterol Derivatives: A Versatile Approach Utilizing Anionic Cycloaddition","Journal of Organic Chemistry","2006","71","","6149","6156","10.1021/jo0608725","","","0.71073","MoKα","","0.0463","0.0371","","","0.0945","0.0995","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021861","6.5874","0.0007","12.1639","0.0013","32.34","0.003","90","","90","","90","","2591.3","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N O3 Si -","- C30 H37 N O3 Si -","- C120 H148 N4 O12 Si4 -","4","1","","Sreekanth A. Ramachandran; Rajendra K. Kharul; Sylvain Marque; Pierre Soucy; Frédéric Jacques; Robert Chênevert; Pierre Deslongc","Synthetic Studies toward Highly Functionalized 5β-Lanosterol Derivatives: A Versatile Approach Utilizing Anionic Cycloaddition","Journal of Organic Chemistry","2006","71","","6149","6156","10.1021/jo0608725","","","0.71073","MoKα","","0.0333","0.03","","","0.076","0.0785","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021862","7.3446","0.0002","10.1754","0.0003","16.0336","0.0005","90","","94.1618","0.0015","90","","1195.1","0.06","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C23 H33 N O8 -","- C23 H33 N O8 -","- C46 H66 N2 O16 -","2","1","","Timothy J. Donohoe; Caroline L. Rigby; Rhian E. Thomas; William F. Nieuwenhuys; Farrah L. Bhatti; Andrew R. Cowley; Gurdip Bhalay; Ian D. Linney","An Enzymatic Approach to the Desymmetrization of Disubstituted Pyrrolines","Journal of Organic Chemistry","2006","71","","6298","6301","10.1021/jo060926a","","","0.71073","MoKα","","","0.0346","","","","0.0399","","","","","","1.0484","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021863","7.4421","0.0003","6.2276","0.0003","23.7398","0.001","90","","98.6773","0.0013","90","","1087.66","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 F3 N O8 -","- C20 H26 F3 N O8 -","- C40 H52 F6 N2 O16 -","2","1","","Timothy J. Donohoe; Caroline L. Rigby; Rhian E. Thomas; William F. Nieuwenhuys; Farrah L. Bhatti; Andrew R. Cowley; Gurdip Bhalay; Ian D. Linney","An Enzymatic Approach to the Desymmetrization of Disubstituted Pyrrolines","Journal of Organic Chemistry","2006","71","","6298","6301","10.1021/jo060926a","","","0.71073","MoKα","","0.0716","0.0611","","0.1633","0.1568","0.1568","","","","","","1.0975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021864","5.6798","0.0008","14.991","0.002","20.777","0.004","90","","90","","90","","1769.1","0.4","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Stephen M. Goldup; Christopher J. Pilkington; Andrew J. P. White; Andrew Burton; Anthony G. M. Barrett","A Simple, Short, and Flexible Synthesis of Viridiofungin Derivatives","Journal of Organic Chemistry","2006","71","","6185","6191","10.1021/jo060931e","","","1.54178","CuKα","","0.0744","0.0688","","0.1912","0.1787","","","","1.044","1.05","1.05","","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021865","12.203","0.003","11.0105","0.0018","12.2933","0.0017","90","","98.444","0.013","90","","1633.8","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H43 N O8 -","- C30 H43 N O8 -","- C60 H86 N2 O16 -","2","1","","Stephen M. Goldup; Christopher J. Pilkington; Andrew J. P. White; Andrew Burton; Anthony G. M. Barrett","A Simple, Short, and Flexible Synthesis of Viridiofungin Derivatives","Journal of Organic Chemistry","2006","71","","6185","6191","10.1021/jo060931e","","","1.54178","CuKα","","0.0739","0.0564","","","0.1501","0.166","","","","","","1.023","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021866","5.7926","0.0004","21.7959","0.0014","24.7014","0.0015","90","","90","","90","","3118.7","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 N O9 -","- C30 H45 N O9 -","- C120 H180 N4 O36 -","4","1","","Stephen M. Goldup; Christopher J. Pilkington; Andrew J. P. White; Andrew Burton; Anthony G. M. Barrett","A Simple, Short, and Flexible Synthesis of Viridiofungin Derivatives","Journal of Organic Chemistry","2006","71","","6185","6191","10.1021/jo060931e","","","1.54248","CuKα","","0.0458","0.0332","","","0.067","0.0716","","","","","","0.942","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021867","9.166","0.003","15.547","0.005","10.174","0.004","90","","110.783","0.006","90","","1355.6","0.8","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Scott E. Denmark; Justin I. Montgomery","A General Synthesis of N-Vinyl Nitrones","Journal of Organic Chemistry","2006","71","","6211","6220","10.1021/jo060975n","","","0.71073","MoKα","","0.0676","0.0407","","","0.089","0.0969","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021868","8.406","0.003","17.081","0.005","10.259","0.003","90","","94.155","0.005","90","","1469.2","0.8","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Scott E. Denmark; Justin I. Montgomery","A General Synthesis of N-Vinyl Nitrones","Journal of Organic Chemistry","2006","71","","6211","6220","10.1021/jo060975n","","","0.71073","MoKα","","0.065","0.0392","","","0.0948","0.1034","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021869","8.634","0.006","10.072","0.007","23.622","0.016","90","","90","","90","","2054","2","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","1","","Scott E. Denmark; Justin I. Montgomery","A General Synthesis of N-Vinyl Nitrones","Journal of Organic Chemistry","2006","71","","6211","6220","10.1021/jo060975n","","","0.71073","MoKα","","0.0506","0.0341","","","0.0804","0.0867","","","","","","1.025","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021870","10.3615","0.0004","8.4311","0.0004","18.5887","0.0006","90","","98.806","0.0007","90","","1604.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl2 N O2 -","- C18 H13 Cl2 N O2 -","- C72 H52 Cl8 N4 O8 -","4","1","","Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen","Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters","Journal of Organic Chemistry","2006","71","","6592","6595","10.1021/jo060290n","","","0.71073","MoKα","","0.0633","0.0382","","","0.0987","0.1073","","","","","","0.824","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021871","19.877","0.004","18.927","0.004","8.0012","0.0016","90","","90","","90","","3010.2","1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C152 H136 N8 O16 -","8","","","Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen","Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters","Journal of Organic Chemistry","2006","71","","6592","6595","10.1021/jo060290n","","","0.71073","MoKα","","0.0614","0.0474","","","0.1278","0.1322","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021872","10.3","0.002","14.278","0.003","11.79","0.002","90","","114.4","0.03","90","","1578.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C72 H56 Cl4 N4 O12 -","4","1","","Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen","Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters","Journal of Organic Chemistry","2006","71","","6592","6595","10.1021/jo060290n","","","0.71073","MoKα","","0.0835","0.0493","","","0.1266","0.1374","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021873","7.9843","0.0016","19.014","0.004","10.55","0.002","90","","109.99","0.03","90","","1505.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen","Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters","Journal of Organic Chemistry","2006","71","","6592","6595","10.1021/jo060290n","","","0.71073","MoKα","","0.0921","0.0671","","","0.171","0.1904","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021874","9.335","0.004","11.521","0.005","17.934","0.008","90","","99.614","0.006","90","","1901.6","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl O Pd S2 -","- C21 H19 Cl O Pd S2 -","- C84 H76 Cl4 O4 Pd4 S8 -","4","1","","Warren W. Gerhardt; Marcus Weck","Investigations of Metal-Coordinated Peptides as Supramolecular Synthons","Journal of Organic Chemistry","2006","71","","6333","6341","10.1021/jo060395q","","","0.71073","MoKα","","0.038","0.0319","","","0.0754","0.0784","","","","","","1.084","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021876","4.7602","0.0003","13.4131","0.0009","29.517","0.003","90","","90","","90","","1884.6","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N4 O6 -","- C20 H18 N4 O6 -","- C80 H72 N16 O24 -","4","1","","Warren W. Gerhardt; Marcus Weck","Investigations of Metal-Coordinated Peptides as Supramolecular Synthons","Journal of Organic Chemistry","2006","71","","6333","6341","10.1021/jo060395q","","","1.54178","CuKα","","0.0648","0.0392","","","0.062","0.0666","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021877","13.2293","0.0004","4.8292","0.0001","15.8456","0.0004","90","","100.164","0.001","90","","996.44","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N4 O6 -","- C21 H20 N4 O6 -","- C42 H40 N8 O12 -","2","1","","Warren W. Gerhardt; Marcus Weck","Investigations of Metal-Coordinated Peptides as Supramolecular Synthons","Journal of Organic Chemistry","2006","71","","6333","6341","10.1021/jo060395q","","","1.54178","CuKα","","0.0327","0.0305","","","0.0702","0.0714","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021878","9.373","0.006","9.802","0.005","10.391","0.008","71.79","0.04","70.18","0.04","72.29","0.04","831.9","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","MART064","[(R,S)-2-morpholino-3-spiro-1'-cyclohexyl-6-nitro-3,4-dihydro-2H- = 1,4-benzoxazine : 5f","","- C17 H23 N3 O4 -","- C17 H23 N3 O4 -","- C34 H46 N6 O8 -","2","1","","Daiwang Xu; Angèle Chiaroni; Maurice-Bernard Fleury; Martine Largeron","Electrochemically Induced Cascade Reaction for the Assembly of Libraries of Biologically Relevant 1,4-Benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","6374","6381","10.1021/jo060452f","","","0.71073","MoKα","","0.0677","0.0504","","","0.124","0.1377","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021879","10.734","0.004","10.465","0.004","15.663","0.006","90","","107.34","0.02","90","","1679.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MART063","[(R,S)-2-morpholino-3-spiro-1'-cyclohexyl-3,4-dihydro-2H- = 1,4-benzoxazin-6-yl]nitrile: 5e","","- C18 H23 N3 O2 -","- C18 H23 N3 O2 -","- C72 H92 N12 O8 -","4","1","","Daiwang Xu; Angèle Chiaroni; Maurice-Bernard Fleury; Martine Largeron","Electrochemically Induced Cascade Reaction for the Assembly of Libraries of Biologically Relevant 1,4-Benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","6374","6381","10.1021/jo060452f","","","0.71073","MoKα","","0.0869","0.0483","","","0.1096","0.1286","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021880","31.003","0.013","7.393","0.004","20.004","0.008","90","","112.19","0.03","90","","4245","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MART061","[(R,S)-3,3-dimethyl-5-hydroxy-2-isobutylamino-3,4-dihydro-2H- = 1,4-benzoxazin-6-yl] [2,6-dimethylphenyl] methanone : 3h.","","- C23 H30 N2 O3 -","- C23 H30 N2 O3 -","- C184 H240 N16 O24 -","8","1","","Daiwang Xu; Angèle Chiaroni; Maurice-Bernard Fleury; Martine Largeron","Electrochemically Induced Cascade Reaction for the Assembly of Libraries of Biologically Relevant 1,4-Benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","6374","6381","10.1021/jo060452f","","","0.71073","MoKα","","0.135","0.0623","","","0.1557","0.1944","","","","","","1.03","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021881","14.022","0.013","10.92","0.009","12.843","0.012","90","","92.64","0.05","90","","1964","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MART062","[(R,S)-3,3-dimethyl-5-hydroxy-2-isobutylamino-3,4-dihydro-2H- = 1,4-benzoxazin-6-yl] [4-fluorophenyl] methanone : 3f","","- C21 H25 F N2 O3 -","- C21 H25 F N2 O3 -","- C84 H100 F4 N8 O12 -","4","1","","Daiwang Xu; Angèle Chiaroni; Maurice-Bernard Fleury; Martine Largeron","Electrochemically Induced Cascade Reaction for the Assembly of Libraries of Biologically Relevant 1,4-Benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","6374","6381","10.1021/jo060452f","","","0.71073","MoKα","","0.1491","0.0658","","","0.1643","0.2129","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021882","9.1682","0.0014","13.934","0.002","14.818","0.002","103.742","0.002","102.728","0.002","103.863","0.002","1706.3","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H42 Br N3 O3 -","- C39 H42 Br N3 O3 -","- C78 H84 Br2 N6 O6 -","2","1","","Wannaporn Disadee; Tsutomu Ishikawa; Masatoshi Kawahata; Kentaro Yamaguchi","Guanidinium Ylide Mediated Aziridination: Identification of a Spiro Imidazolidine-Oxazolidine Intermediate","Journal of Organic Chemistry","2006","71","","6600","6603","10.1021/jo060531r","","","0.71073","MoKα","","0.0684","0.0468","","","0.1162","0.1279","","","","","","1.027","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021883","15.461","0.003","19.71","0.004","5.7408","0.0011","90","","90","","90","","1749.4","0.6","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H19 O4 P -","- C21 H19 O4 P -","- C84 H76 O16 P4 -","4","1","","Babak Kaboudin; Hamideh Haghighat; Tsutomu Yokomatsu","A Novel Method for the Separation of Bis(α-hydroxyalkyl)phosphinic Acid Diastereoisomers via Formation of Novel Cyclic Phosphinic Acids","Journal of Organic Chemistry","2006","71","","6604","6606","10.1021/jo060547h","","","0.71073","MoKα","","0.0646","0.0415","","","0.0797","0.0874","","","","","","1.025","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021884","12.5986","0.0006","8.2876","0.0004","20.2572","0.001","90","","90","","90","","2115.1","0.18","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H29 B O3 -","- C23 H29 B O3 -","- C92 H116 B4 O12 -","4","1","","Benjamin D. Stevens; Christopher J. Bungard; Scott G. Nelson","Strategies for Expanding Structural Diversity Available from Olefin Isomerization-Claisen Rearrangement Reactions","Journal of Organic Chemistry","2006","71","","6397","6402","10.1021/jo0605851","","","0.71073","MoKα","","0.0567","0.0481","","","0.1299","0.136","","","","","","1.247","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021885","10.359","0.0005","21.7109","0.001","16.1006","0.0007","90","","106.263","0.001","90","","3476.2","0.3","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H20 O3 -","- C20.5 H20 O3 -","- C164 H160 O24 -","8","2","","Benjamin D. Stevens; Christopher J. Bungard; Scott G. Nelson","Strategies for Expanding Structural Diversity Available from Olefin Isomerization-Claisen Rearrangement Reactions","Journal of Organic Chemistry","2006","71","","6397","6402","10.1021/jo0605851","","","0.71073","MoKα","","0.1535","0.0764","","","0.1658","0.1899","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021886","16.09","0.007","10.544","0.004","17.881","0.007","90","0.0015","104.605","0.0017","90","0.0015","2936","2","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H26 Cl2 O8 -","- C36 H26 Cl2 O8 -","- C144 H104 Cl8 O32 -","4","1","","Terunobu Saitoh; Suguru Yoshida; Junji Ichikawa","Naphthalene-1,8-diylbis(diphenylmethylium) as an Organic Two-Electron Oxidant: Benzidine Synthesis via Oxidative Self-Coupling of N,N-Dialkylanilines","Journal of Organic Chemistry","2006","71","","6414","6419","10.1021/jo060662s","","","0.7107","MoKα","","0.0593","0.0527","","","0.142","0.1467","","","","","","1.054","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021887","31.582","0.0008","7.466","0.0002","11.068","0.0002","90","","109.485","0.002","90","","2460.27","0.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H31 N O -","- C30 H31 N O -","- C120 H124 N4 O4 -","4","1","","José M. Concellón; Pablo L. Bernad; Virginia del Solar; José Ramón Suárez; Santiago García-Granda; M. Rosario Díaz","Synthesis of Enantiopure (αS,βS)- or (αR,βR)-Amino Alcohols by Complete Regioselective Opening of Aminoepoxides by Organolithium Reagents LiAlH~4~ ir LiAlD~4~","Journal of Organic Chemistry","2006","71","","6420","6426","10.1021/jo0606756","","","1.54184","CuKα","","0.0513","0.0338","","","0.0778","0.0883","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021888","11.63","0.0005","11.7664","0.0005","17.036","0.0008","90","","108.827","0.001","90","","2206.53","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N4 O4 -","- C20 H32 N4 O4 -","- C80 H128 N16 O16 -","4","2","","Vincenzo Giulio Albano; Marco Bandini; Magda Monari; Eleonora Marcucci; Fabio Piccinelli; Achille Umani-Ronchi","Synthesis and Crystallographic Characterization of Chiral Bis-oxazoline-amides. Fine-Tunable Ligands for Pd-Catalyzed Asymmetric Alkylations","Journal of Organic Chemistry","2006","71","","6451","6458","10.1021/jo060767v","","","0.71073","MoKα","","0.1579","0.0627","","","0.1551","0.1928","","","","","","0.852","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021889","9.3241","0.0006","24.0941","0.0015","27.4957","0.0017","90","","90","","90","","6177.1","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H74 B2 F8 N4 O6 Pd2 -","- C58 H74 B2 F8 N4 O6 Pd2 -","- C232 H296 B8 F32 N16 O24 Pd8 -","4","1","","Vincenzo Giulio Albano; Marco Bandini; Magda Monari; Eleonora Marcucci; Fabio Piccinelli; Achille Umani-Ronchi","Synthesis and Crystallographic Characterization of Chiral Bis-oxazoline-amides. Fine-Tunable Ligands for Pd-Catalyzed Asymmetric Alkylations","Journal of Organic Chemistry","2006","71","","6451","6458","10.1021/jo060767v","","","0.71073","MoKα","","0.1092","0.0741","","","0.1779","0.1993","","","","","","1.023","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021890","6.8302","0.0007","21.142","0.002","23.441","0.003","90","","90","","90","","3384.9","0.6","150","1","150","1","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C31 H34 F12 N4 O P2 S -","- C31 H34 F12 N4 O P2 S -","- C124 H136 F48 N16 O4 P8 S4 -","4","0.25","","Hai-Bo Yang; Neeladri Das; Feihe Huang; Adam M. Hawkridge; David D. Díaz; Atta M. Arif; M. G. Finn; David C. Muddiman; Peter J. Stang","Incorporation of 2,6-Di(4,4'-dipyridyl)-9-thiabicyclo[3.3.1]nonane into Discrete 2D Supramolecules via Coordination-Driven Self-Assembly","Journal of Organic Chemistry","2006","71","","6644","6647","10.1021/jo0608117","","","0.71073","MoKα","","0.127","0.0758","","","0.1807","0.2126","","","","","","1.047","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021891","8.7399","0.0018","8.9692","0.0018","9.1427","0.0019","62.293","0.004","65.552","0.004","69.368","0.004","566.1","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","1","0.5","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1266","0.0516","","","0.1009","0.1191","","","","","","0.752","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021892","7.726","0.0019","7.977","0.002","42.958","0.011","90","","90","","90","","2647.4","1.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H24 N2 O2 S2 -","- C34 H24 N2 O2 S2 -","- C136 H96 N8 O8 S8 -","4","0.5","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1978","0.0674","","","0.1358","0.1657","","","","","","0.851","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021893","7.7042","0.0013","18.073","0.003","14.668","0.003","90","","98.44","0.004","90","","2020.3","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 B N O -","- C27 H20 B N O -","- C108 H80 B4 N4 O4 -","4","2","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1618","0.0435","","","0.0695","0.0898","","","","","","0.719","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021894","12.403","0.004","13.052","0.004","18.606","0.006","104.016","0.007","102.524","0.006","103.065","0.006","2726.6","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56.5 H41.5 Cl7.5 N3 O3 -","- C54 H39 N3 O3 -","- C108 H78 N6 O6 -","2","1","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1836","0.0791","","","0.1966","0.2263","","","","","","0.761","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021895","7.0433","0.0003","11.6066","0.0004","14.5664","0.0008","90","","101.33","0.002","90","","1167.57","0.09","93.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O2 S -","- C13 H16 O2 S -","- C52 H64 O8 S4 -","4","1","","Yuji Miyahara","A New General Route to Thiophenophanes: Synthesis and Properties of [n](2,5)Thiophenophane-1,n-diones","Journal of Organic Chemistry","2006","71","","6516","6521","10.1021/jo060889n","","","0.7107","MoKα","","","0.0339","","","","0.1169","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021896","15.803","0.003","22.033","0.004","19.949","0.003","90","","103.148","0.004","90","","6763.9","1.9","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Zn4{(R)-3,3'-bis(Ph2P=O)-BINOLate}(m4-O)](CH2Cl2)3","","","- C135 H96 Cl6 O13 P6 Zn4 -","- C135 H96 Cl6 O13 P6 Zn4 -","- C270 H192 Cl12 O26 P12 Zn8 -","2","1","","Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara","3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes","Journal of Organic Chemistry","2006","71","","6474","6484","10.1021/jo060908t","","","0.71073","MoKα","","0.1168","0.0709","","","0.1812","0.2066","","","","","","1.087","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021897","10.709","0.005","18.515","0.005","53.426","0.005","90","0.005","90.282","0.005","90","0.005","10593","6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(R)-3,3'-bis(diphenylphosphinoyl)-BINOL","","","- C44 H32 O4 P2 -","- C44 H32 O4 P2 -","- C528 H384 O48 P24 -","12","3","","Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara","3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes","Journal of Organic Chemistry","2006","71","","6474","6484","10.1021/jo060908t","","","0.71069","MoKα","","0.0686","0.0555","","","0.132","0.1391","","","","","","1.018","","","","has coordinates","259535","2020-12-04","06:04:52",""
"4021898","24.535","0.006","6.0496","0.0015","23.504","0.006","90","","98.006","0.005","90","","3454.6","1.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(S)-3,3'-bis(diphenylphosphinoyl)-BINOL","","","- C44 H32 O4 P2 -","- C44 H32 O4 P2 -","- C176 H128 O16 P8 -","4","1","","Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara","3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes","Journal of Organic Chemistry","2006","71","","6474","6484","10.1021/jo060908t","","","0.71073","MoKα","","0.1402","0.0703","","","0.1147","0.1389","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021899","30.19","0.003","23.5668","0.0018","25.858","0.002","90","","115.333","0.002","90","","16629","2","90","2","90","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,3,5,7,9-penta-tert-butylcorannulene","","- C40 H50 -","- C39.93 H49.9 -","- C798.6 H998 -","20","5","","Yulia Sevryugina; Andrey Yu. Rogachev; Edward A. Jackson; Lawrence T. Scott; Marina A. Petrukhina","X-ray and Density Functional Theory Structural Study of 1,3,5,7,9-Penta-tert-butylcorannulene, C~40~H~50~","Journal of Organic Chemistry","2006","71","","6615","6618","10.1021/jo060933z","","","0.71073","MoKα","","0.2313","0.1692","","","0.299","0.3267","","","","","","1.122","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021900","8.3006","0.0002","10.7427","0.0002","14.3728","0.0004","90","","95.137","0.001","90","","1276.49","0.05","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound X","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Laura A. McAllister; Kristy L. Turner; Stephen Brand; Mark Stefaniak; David J. Procter","Solid Phase Approaches to N-Heterocycles Using a Sulfur Linker Cleaved by SmI~2~","Journal of Organic Chemistry","2006","71","","6497","6507","10.1021/jo060940n","","","0.71073","MoKα","","0.0555","0.0425","","","0.1064","0.1146","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021901","4.811","0.005","7.525","0.008","10.678","0.011","83.007","0.012","85.592","0.013","78.525","0.012","375.5","0.7","373","2","373","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 O3 S2 -","- C6 H6 O3 S2 -","- C12 H12 O6 S4 -","2","1","","Nicolas Eghbali; D. Scott Bohle; David N. Harpp","Synthesis of New Cyclic Dialkoxy Disulfides","Journal of Organic Chemistry","2006","71","","6659","6661","10.1021/jo060944s","","","0.71073","MoKα","","0.0348","0.0333","","","0.1043","0.1066","","","","","","0.961","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021902","9.8124","0.0013","10.8017","0.0014","11.0897","0.0013","113.836","0.003","115.303","0.003","91.97","0.003","941","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O3 -","- C20 H22 N4 O3 -","- C40 H44 N8 O6 -","2","1","","Laura D. Shirtcliff; Jazmin Rivers; Michael M. Haley","Synthesis of 2H-Indazoles via Lewis Acid Promoted Cyclization of 2-(Phenylazo)benzonitriles","Journal of Organic Chemistry","2006","71","","6619","6622","10.1021/jo060965m","","","0.71073","MoKα","","0.0838","0.0483","","","0.1024","0.1209","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021903","9.0546","0.001","23.673","0.002","14.153","0.002","90","","104.083","0.005","90","","2942.4","0.6","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C71 H72 Cl2 O8 -","- C71 H72 Cl2 O8 -","- C142 H144 Cl4 O16 -","2","1","","Kazunori Tsubaki; Hiroyuki Tanaka; Kazuto Takaishi; Masaya Miura; Hiroshi Morikawa; Takumi Furuta; Kiyoshi Tanaka; Kaoru Fuji; Takahiro Sasamori; Norihiro Tokitoh; Takeo Kawabata","Bottom-Up Synthesis of Optically Active Oligonaphthalenes: Three Different Pathways for Controlling Axial Chirality","Journal of Organic Chemistry","2006","71","","6579","6587","10.1021/jo060974v","","","0.7107","MoKα","","","0.054","","","","0.146","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021904","32.441","0.001","15.9505","0.0005","9.9787","0.0003","90","","90","","90","","5163.5","0.3","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H34 Cr O5 Si -","- C26 H34 Cr O5 Si -","- C208 H272 Cr8 O40 Si8 -","8","2","","William H. Moser; Laura A. Feltes; Liangdong Sun; Matthew W. Giese; Ryan W. Farrell","Stereoselective [4 + 1] Annulation Reactions with Silyl Vinylketenes Derived from Fischer Carbene Complexes","Journal of Organic Chemistry","2006","71","","6542","6546","10.1021/jo060994x","","","0.71073","MoKα","","0.0345","0.0292","","","0.0717","0.075","","","","","","1.039","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021905","9.7249","0.0004","21.6847","0.0009","14.6103","0.0006","90","","102.439","0.001","90","","3008.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cr O5 Si2 -","- C28 H42 Cr O5 Si2 -","- C112 H168 Cr4 O20 Si8 -","4","1","","William H. Moser; Laura A. Feltes; Liangdong Sun; Matthew W. Giese; Ryan W. Farrell","Stereoselective [4 + 1] Annulation Reactions with Silyl Vinylketenes Derived from Fischer Carbene Complexes","Journal of Organic Chemistry","2006","71","","6542","6546","10.1021/jo060994x","","","0.71073","MoKα","","0.0448","0.0354","","","0.0903","0.0955","","","","","","1.071","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021906","17.5783","0.0016","18.3011","0.0018","21.379","0.002","90","","90","","90","","6877.5","1.2","83","3","83","3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H42 Cr O6 Si -","- C37 H42 Cr O6 Si -","- C296 H336 Cr8 O48 Si8 -","8","1","","William H. Moser; Laura A. Feltes; Liangdong Sun; Matthew W. Giese; Ryan W. Farrell","Stereoselective [4 + 1] Annulation Reactions with Silyl Vinylketenes Derived from Fischer Carbene Complexes","Journal of Organic Chemistry","2006","71","","6542","6546","10.1021/jo060994x","","","0.71073","MoKα","","0.0594","0.0448","","","0.109","0.1189","","","","","","1.025","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021907","8.7767","0.0018","22.603","0.005","10.482","0.002","90","","90.287","0.003","90","","2079.3","0.7","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H29 B F N O -","- C24 H29 B F N O -","- C96 H116 B4 F4 N4 O4 -","4","2","","Peter Shapland; Edwin Vedejs","Isopinocampheylborane Derivatives with >99% ee via the DMAP Complex","Journal of Organic Chemistry","2006","71","","6666","6669","10.1021/jo061002q","","","0.71073","MoKα","","0.0661","0.0427","","","0.0861","0.0921","","","","","","0.991","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021908","12.4457","0.0006","15.6835","0.0009","20.44","0.001","106.507","0.003","96.998","0.004","102.985","0.003","3653.1","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H112 O14 P4 Pt2 -","- C70.5 H110 O14 P4 Pt1.9 -","- C141 H220 O28 P8 Pt3.8 -","2","1","","Feihe Huang; Hai-Bo Yang; Neeladri Das; Umamageswaran Maran; Atta M. Arif; Harry W. Gibson; Peter J. Stang","Incorporating a Flexible Crown Ether into Neutral Discrete Self-Assemblies Driven by Metal Coordination","Journal of Organic Chemistry","2006","71","","6623","6625","10.1021/jo061007n","","","0.71073","MoKα","","0.1041","0.0718","","","0.1813","0.2116","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021909","10.4332","0.0003","16.4733","0.0004","21.4199","0.0006","90","","90.01","0.001","90","","3681.42","0.17","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N2 O3 -","- C20 H26 N2 O3 -","- C160 H208 N16 O24 -","8","2","","Alexander Deiters; Martin Pettersson; Stephen F. Martin","General Strategy for the Syntheses of Corynanthe, Tacaman, and Oxindole Alkaloids","Journal of Organic Chemistry","2006","71","","6547","6561","10.1021/jo061032t","","","0.71073","MoKα","","0.1995","0.058","","","0.0853","0.104","","","","","","1.065","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021910","12.8635","0.0003","12.1962","0.0003","21.3633","0.0006","90","","90","","90","","3351.6","0.15","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C160 H176 N16 O24 -","8","1","","Alexander Deiters; Martin Pettersson; Stephen F. Martin","General Strategy for the Syntheses of Corynanthe, Tacaman, and Oxindole Alkaloids","Journal of Organic Chemistry","2006","71","","6547","6561","10.1021/jo061032t","","","0.71073","MoKα","","0.1075","0.0532","","","0.0942","0.1113","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021911","11.0013","0.0002","11.1975","0.0002","12.6806","0.0003","107.147","0.001","108.1","0.001","98.967","0.001","1365.12","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 N2 O5 S2 -","- C28 H36 N2 O5 S2 -","- C56 H72 N4 O10 S4 -","2","1","","Alexander Deiters; Martin Pettersson; Stephen F. Martin","General Strategy for the Syntheses of Corynanthe, Tacaman, and Oxindole Alkaloids","Journal of Organic Chemistry","2006","71","","6547","6561","10.1021/jo061032t","","","0.71073","MoKα","","0.1019","0.0574","","","0.1121","0.1322","","","","","","1.001","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021912","18.57","0.003","9.8463","0.0014","18.461","0.003","90","","100.472","0.003","90","","3319.2","0.8","113.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H11 N3 O6 -","- C20 H11 N3 O6 -","- C160 H88 N24 O48 -","8","1","","Chun Zhang; Chuan-Feng Chen","Synthesis and Structure of 2,6,14- and 2,7,14-Trisubstituted Triptycene Derivatives","Journal of Organic Chemistry","2006","71","","6626","6629","10.1021/jo061067t","","","0.7107","MoKα","","","0.0548","","","","0.1508","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021913","12.6019","0.0015","16.4583","0.0019","20.154","0.002","90","","90","","90","","4180.1","0.9","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H34 I6 -","- C45 H22 I6 -","- C180 H88 I24 -","4","1","","Chun Zhang; Chuan-Feng Chen","Synthesis and Structure of 2,6,14- and 2,7,14-Trisubstituted Triptycene Derivatives","Journal of Organic Chemistry","2006","71","","6626","6629","10.1021/jo061067t","","","0.71073","MoKα","","0.0648","0.04","","","0.101","0.1124","","","","","","1.08","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021914","7.172","0.002","10.348","0.003","11.029","0.003","90","","104.856","0.011","90","","791.2","0.4","150","2","150","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","Paquette 1402","","","- C7 H11 N O3 S -","- C7 H11 N O3 S -","- C28 H44 N4 O12 S4 -","4","1","","Adam J. Preston; Judith C. Gallucci; Leo A. Paquette","Synthesis and Selected Reactions of a Bicyclic Sultam Having Sulfur at the Apex Position","Journal of Organic Chemistry","2006","71","","6573","6578","10.1021/jo0611162","","x-ray","0.71073","MoKα","","0.0467","0.0371","","","0.0813","0.0847","","","","","","1.042","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021915","8.448","0.002","8.554","0.002","27.028","0.006","90","","90.982","0.007","90","","1952.9","0.8","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","Paquette 1473","","","- C19 H26 N4 O4 S -","- C19 H26 N4 O4 S -","- C76 H104 N16 O16 S4 -","4","2","","Adam J. Preston; Judith C. Gallucci; Leo A. Paquette","Synthesis and Selected Reactions of a Bicyclic Sultam Having Sulfur at the Apex Position","Journal of Organic Chemistry","2006","71","","6573","6578","10.1021/jo0611162","","x-ray","0.71073","MoKα","","0.051","0.0365","","","0.0705","0.0759","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021916","7.9412","0.0009","12.6199","0.0014","13.4644","0.0015","90","","100.658","0.002","90","","1326.1","0.3","173","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Br O5 -","- C14 H15 Br O5 -","- C56 H60 Br4 O20 -","4","1","","Soo-Im Chung; Joobeom Seo; Cheon-Gyu Cho","Tandem Diels-Alder Cycloadditions of 2-Pyrone-5-acrylates for the Efficient Synthesis of Novel Tetracyclolactones","Journal of Organic Chemistry","2006","71","","6701","6704","10.1021/jo061119e","","","0.71073","MoKα","","0.0456","0.0319","","","0.0742","0.0799","","","","","","1.039","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021917","6.5969","0.0008","9.805","0.0012","11.5438","0.0015","87.85","0.015","83.935","0.015","88.231","0.015","741.71","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","9-Acetyl-Triamantan","","","- C20 H26 O -","- C20 H26 O -","- C40 H52 O2 -","2","1","","Peter R. Schreiner; Natalie A. Fokina; Boryslav A. Tkachenko; Heike Hausmann; Michael Serafin; Jeremy E. P. Dahl; Shenggao Liu; Robert M. K. Carlson; Andrey A. Fokin","Functionalized Nanodiamonds: Triamantane and [121]Tetramantane","Journal of Organic Chemistry","2006","71","","6709","6720","10.1021/jo052646l","","","0.71073","MoKα","","0.0686","0.041","","","0.1119","0.1243","","","","","","0.991","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021918","9.614","0.002","8.0531","0.0018","12.265","0.003","90","","99.09","0.03","90","","937.7","0.4","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6,16-Diacetyl-Tetramantan","","","- C26 H32 O2 -","- C26 H32 O2 -","- C52 H64 O4 -","2","0.5","","Peter R. Schreiner; Natalie A. Fokina; Boryslav A. Tkachenko; Heike Hausmann; Michael Serafin; Jeremy E. P. Dahl; Shenggao Liu; Robert M. K. Carlson; Andrey A. Fokin","Functionalized Nanodiamonds: Triamantane and [121]Tetramantane","Journal of Organic Chemistry","2006","71","","6709","6720","10.1021/jo052646l","","","0.71073","MoKα","","0.1023","0.0621","","","0.162","0.185","","","","","","1.153","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021919","25.46","0.008","10.292","0.006","16.264","0.006","90","","98.503","0.011","90","","4215","3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H46 Mn3 N4 O12 -","- C40 H41 Mn2.989 N4 O12 -","- C160 H164 Mn11.956 N16 O48 -","4","1","","Byungman Kang; Min Kim; Junseong Lee; Youngkyu Do; Sukbok Chang","Trimanganese Complexes Bearing Bidentate Nitrogen Ligands as a Highly Efficient Catalyst Precursor in the Epoxidation of Alkenes","Journal of Organic Chemistry","2006","71","","6721","6727","10.1021/jo060709+","","","0.71073","MoKα","","0.0553","0.0414","","","0.0964","0.1041","","","","","","1.025","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021920","11.4098","0.0014","12.4332","0.0014","26.421","0.003","90","","98.624","0.003","90","","3705.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Mn3 N4 O12 -","- C36 H34 Mn3.004 N4 O12 -","- C144 H136 Mn12.016 N16 O48 -","4","0.5","","Byungman Kang; Min Kim; Junseong Lee; Youngkyu Do; Sukbok Chang","Trimanganese Complexes Bearing Bidentate Nitrogen Ligands as a Highly Efficient Catalyst Precursor in the Epoxidation of Alkenes","Journal of Organic Chemistry","2006","71","","6721","6727","10.1021/jo060709+","","","0.71073","MoKα","","0.1039","0.0785","","","0.2114","0.231","","","","","","1.038","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021921","10.8344","0.0015","18.814","0.003","8.0715","0.0011","90","","96.537","0.003","90","","1634.6","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F3 N -","- C20 H18 F3 N -","- C80 H72 F12 N4 -","4","1","","Rajendra Prasad Korivi; Chien-Hong Cheng","Nickel-Catalyzed Cyclization of 2-Iodoanilines with Aroylalkynes: An Efficient Route for Quinoline Derivatives","Journal of Organic Chemistry","2006","71","","7079","7082","10.1021/jo060800d","","","0.71073","MoKα","","0.1174","0.0686","","","0.1928","0.2097","","","","","","0.947","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021922","10.6031","0.0007","11.5144","0.0008","18.735","0.0013","90","","98.822","0.001","90","","2260.3","0.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H55 N O9 S -","- C48 H55 N O9 S -","- C96 H110 N2 O18 S2 -","2","1","","Andrea Guerrini; Greta Varchi; Arturo Battaglia","Stereoselective One-Pot Synthesis of Constrained N,O-Orthogonally Protected C-Glycosyl Norstatines [C(1')-Aminoglycosyl-1,3-dioxolan-4-ones]","Journal of Organic Chemistry","2006","71","","6785","6795","10.1021/jo0608164","","","0.71073","MoKα","","0.0393","0.0371","","","0.1018","0.104","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021923","15.8067","0.0008","17.1839","0.0008","34.6122","0.0017","90","","90","","90","","9401.4","0.8","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H63 N2 O9 S Si2 -","- C35 H63 N2 O9 S Si2 -","- C280 H504 N16 O72 S8 Si16 -","8","2","","Andrea Guerrini; Greta Varchi; Arturo Battaglia","Stereoselective One-Pot Synthesis of Constrained N,O-Orthogonally Protected C-Glycosyl Norstatines [C(1')-Aminoglycosyl-1,3-dioxolan-4-ones]","Journal of Organic Chemistry","2006","71","","6785","6795","10.1021/jo0608164","","","0.71073","MoKα","","0.2846","0.0927","","","0.2114","0.3167","","","","","","0.965","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021924","36.6969","0.0005","11.5239","0.0002","15.7065","0.0002","90","","102.023","0.0007","90","","6496.45","0.17","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cu N4 O -","- C40 H36 Cu N4 O -","- C320 H288 Cu8 N32 O8 -","8","1","","Joydev K. Laha; Chinnasamy Muthiah; Masahiko Taniguchi; Jonathan S. Lindsey","A New Route for Installing the Isocyclic Ring on Chlorins Yielding 13^1^-Oxophorbines","Journal of Organic Chemistry","2006","71","","7049","7052","10.1021/jo0608265","","","0.71073","MolybdenumKα","","0.07","0.054","","0.147","0.055","","","","","2.07","2.07","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021925","19.6992","0.0013","29.454","0.002","6.1556","0.0002","90","","90","","90","","3571.6","0.4","298","","","","","","","","","","Synthesis","4","P 21 21 2","P 2 2ab","18","","","","- C35 H47 N5 O6 -","- C35 H47 N5 O6 -","- C140 H188 N20 O24 -","4","1","","Anna S. Norgren; Frank Büttner; Samran Prabpai; Palangpon Kongsaeree; Per I. Arvidsson","β^2^-Amino Acids in the Design of Conformationally Homogeneous cyclo-Peptide Scaffolds","Journal of Organic Chemistry","2006","71","","6814","6821","10.1021/jo060854n","","x-ray","0.71073","MoKα","","0.1532","0.1204","","","0.3076","0.3416","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021926","15.419","0.0009","7.0236","0.0004","30.8348","0.0018","90","","90","","90","","3339.3","0.3","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C136 H192 N16 O40 -","8","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.068","0.0405","","","0.0922","0.1062","","","","","","1.012","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021927","8.5415","0.0011","11.5119","0.0015","13.4368","0.0018","113.89","0.002","94.826","0.002","91.961","0.002","1200.4","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N4 O6 -","- C25 H32 N4 O6 -","- C50 H64 N8 O12 -","2","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0502","0.0364","","","0.0922","0.1016","","","","","","1.018","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021928","8.0052","0.0015","11.777","0.002","12.237","0.002","87.037","0.004","84.042","0.003","86.669","0.003","1144.3","0.4","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N2 O5 -","- C25 H32 N2 O5 -","- C50 H64 N4 O10 -","2","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0593","0.0383","","","0.0917","0.1046","","","","","","1.01","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021929","14.1248","0.0018","11.8471","0.0015","19.754","0.003","90","","98.782","0.002","90","","3266.9","0.7","171","2","171","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C128 H176 N16 O40 -","8","2","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.1304","0.05","","","0.1271","0.1819","","","","","","1.021","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021930","8.8274","0.0014","42.094","0.007","7.8988","0.0013","90","","104.349","0.003","90","","2843.5","0.8","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C120 H168 N8 O24 -","8","2","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0562","0.0421","","","0.0987","0.1082","","","","","","1.085","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021931","6.6669","0.0009","32.636","0.005","6.7762","0.001","90","","104.551","0.002","90","","1427.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0551","0.0412","","","0.1007","0.1097","","","","","","1.054","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021932","7.5049","0.0006","9.4498","0.0007","19.6691","0.0016","90","","94.676","0.001","90","","1390.29","0.19","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 O2 -","- C14 H28 O2 -","- C56 H112 O8 -","4","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0426","0.0352","","","0.0965","0.1038","","","","","","1.031","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021933","11.812","0.003","10.601","0.003","22.291","0.006","90","","100.453","0.005","90","","2745.1","1.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H27 O2.5 -","- C13 H27 O2.5 -","- C104 H216 O20 -","8","2","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.1141","0.0482","","","0.0985","0.1295","","","","","","1.058","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021934","11.3709","0.0017","15.214","0.003","7.2459","0.0009","90","","90.484","0.011","90","","1253.5","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 N3 O S2 -","- C11 H13 N3 O S2 -","- C44 H52 N12 O4 S8 -","4","2","","Shinji Yamada; Tomoko Misono; Yuko Iwai; Ayako Masumizu; Yukiko Akiyama","New Class of Pyridine Catalyst Having a Conformation Switch System: Asymmetric Acylation of Various sec-Alcohols","Journal of Organic Chemistry","2006","71","","6872","6880","10.1021/jo060989t","","","1.54178","CuKα","","0.0439","0.0397","","","0.1101","0.1133","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021935","9.6935","0.0011","11.6333","0.0014","8.035","0.0011","108.982","0.009","100.171","0.01","70.47","0.009","805.17","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Br N3 O S2 -","- C12 H16 Br N3 O S2 -","- C24 H32 Br2 N6 O2 S4 -","2","1","","Shinji Yamada; Tomoko Misono; Yuko Iwai; Ayako Masumizu; Yukiko Akiyama","New Class of Pyridine Catalyst Having a Conformation Switch System: Asymmetric Acylation of Various sec-Alcohols","Journal of Organic Chemistry","2006","71","","6872","6880","10.1021/jo060989t","","","1.54178","CuKα","","0.0782","0.077","","","0.2759","0.2808","","","","","","1.053","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021936","14.0776","0.0017","15.6931","0.0019","18.185","0.002","90","","106.286","0.003","90","","3856.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 N6 -","- C48 H42 N6 -","- C192 H168 N24 -","4","1","","Rosa M. Claramunt; Pilar Cornago; Verónica Torres; Elena Pinilla; M. Rosario Torres; André Samat; Vladimir Lokshin; Magali Valés; José Elguero","The Structure of Pyrazoles in the Solid State: A Combined CPMAS, NMR, and Crystallographic Study","Journal of Organic Chemistry","2006","71","","6881","6891","10.1021/jo0609935","","","0.71073","MoKα","","0.2871","0.0642","","","0.1296","0.198","","","","","","0.788","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021937","12.1905","0.0012","5.1933","0.0005","23.579","0.002","90","","103.88","0.002","90","","1449.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F3 N2 -","- C17 H13 F3 N2 -","- C68 H52 F12 N8 -","4","1","","Rosa M. Claramunt; Pilar Cornago; Verónica Torres; Elena Pinilla; M. Rosario Torres; André Samat; Vladimir Lokshin; Magali Valés; José Elguero","The Structure of Pyrazoles in the Solid State: A Combined CPMAS, NMR, and Crystallographic Study","Journal of Organic Chemistry","2006","71","","6881","6891","10.1021/jo0609935","","","0.71073","MoKα","","0.0815","0.0436","","","0.1102","0.124","","","","","","0.93","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021938","6.7244","0.0013","8.0417","0.0016","13.879","0.003","76.24","0.03","89.16","0.03","83.32","0.03","724","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Chuang-Chuang Li; Cui-Hua Wang; Bo Liang; Xin-Hao Zhang; Lu-Jiang Deng; Shuang Liang; Jia-Hua Chen; Yun-Dong Wu; Zhen Yang","Synthetic Study of 1,3-Butadiene-Based IMDA Approach to Construct a [5-7-6] Tricyclic Core and Its Application to the Total Synthesis of C8-epi-Guanacastepene O","Journal of Organic Chemistry","2006","71","","6892","6897","10.1021/jo060996h","","","0.71073","MoKα","","0.0776","0.0455","","","0.1063","0.1128","","","","","","1.002","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021939","10.019","0.002","9.0397","0.0018","17.986","0.004","90","","99.99","0.03","90","","1604.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Chuang-Chuang Li; Cui-Hua Wang; Bo Liang; Xin-Hao Zhang; Lu-Jiang Deng; Shuang Liang; Jia-Hua Chen; Yun-Dong Wu; Zhen Yang","Synthetic Study of 1,3-Butadiene-Based IMDA Approach to Construct a [5-7-6] Tricyclic Core and Its Application to the Total Synthesis of C8-epi-Guanacastepene O","Journal of Organic Chemistry","2006","71","","6892","6897","10.1021/jo060996h","","","0.71073","MoKα","","0.0871","0.043","","","0.0992","0.1063","","","","","","0.994","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021940","4.8595","0.0009","6.1554","0.001","12.589","0.002","83.486","0.003","88.86","0.004","74.263","0.003","360.09","0.11","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H26 N4 -","- C14 H26 N4 -","- C14 H26 N4 -","1","0.5","","Takashi Mino; Yoshiaki Shirae; Yousuke Sasai; Masami Sakamoto; Tsutomu Fujita","Phosphine-Free Palladium Catalyzed Mizoroki-Heck Reaction Using Hydrazone as a Ligand","Journal of Organic Chemistry","2006","71","","6834","6839","10.1021/jo0610006","","","0.71073","MoKα","","0.0852","0.0577","","","0.1384","0.1575","","","","","","0.992","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021941","11.195","0.003","15.666","0.006","9.728","0.003","90","0","90","0","90","0","1706.1","0.9","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,4S,4aR,5R,6S,7S,8aR)-1-Methoxy-4-methoxymethoxy-1,5,7,8a-tetramethyl- 4a,5,6,7,8,8a-hexahydroisochroman-6-ol","","- C16 H30 O5 -","- C16 H30 O5 -","- C64 H120 O20 -","4","1","","Asano, Moriteru; Inoue, Munenori; Watanabe, Kazuhiro; Abe, Hideki; Katoh, Tadashi","Synthetic Studies toward GKK1032s, Novel Antibiotic Antitumor Agents: Enantioselective Synthesis of the Fully Elaborated Tricyclic Core via an Intramolecular Diels-Alder Cycloaddition","Journal of Organic Chemistry","2006","71","18","6942","6951","10.1021/jo0610208","","","1.54178","CuK-alpha","","","0.0396","","","0.0477","","","","","2.3986","2.3986","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021942","9.3215","0.0002","10.8327","0.0002","13.7718","0.0002","90","","106.425","0.001","90","","1333.88","0.04","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 N2 O5 P -","- C24 H39 N2 O5 P -","- C48 H78 N4 O10 P2 -","2","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.0425","0.0354","","","0.0939","0.0991","","","","","","1.046","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021943","6.0341","0.0001","6.6249","0.0002","16.5069","0.0005","90","","98.184","0.001","90","","653.15","0.03","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 N O5 P -","- C11 H16 N O5 P -","- C22 H32 N2 O10 P2 -","2","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.0433","0.0366","","","0.0944","0.1061","","","","","","1.114","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021944","6.7943","0.0013","8.718","0.003","11.059","0.004","90","","90","","90","","655.1","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 F N O3 P -","- C4 H9 F N O3 P -","- C16 H36 F4 N4 O12 P4 -","4","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.0258","0.0234","","0.0638","0.0627","","","","1.066","1.08","1.08","","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021945","15.3035","0.0016","10.3641","0.0011","14.1931","0.0015","90","","101.189","0.002","90","","2208.3","0.4","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H29 N O5.5 P -","- C18 H29 N O5.5 P -","- C72 H116 N4 O22 P4 -","4","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.073","0.0438","","","0.1042","0.1168","","","","","","0.991","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021946","7.1087","0.0003","10.2928","0.0005","13.5073","0.0006","90","","99.401","0.002","90","","975.03","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H30 N O5 P -","- C15 H30 N O5 P -","- C30 H60 N2 O10 P2 -","2","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.065","0.0442","","","0.0977","0.1088","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021947","15.706","0.005","8.93","0.003","12.969","0.005","90","","90","","90","","1818.8","1.1","173.1","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C88 H72 N8 O12 -","4","1","","Nitin T. Patil; Zhibao Huo; Yoshinori Yamamoto","Palladium-Catalyzed Decarboxylative Aza-Michael Addition-Allylation Reactions between Allyl Carbamates and Activated Olefins. Generation of Quaternary Carbon Adjacent to Secondary Amine Carbon Center","Journal of Organic Chemistry","2006","71","","6991","6995","10.1021/jo061110c","","","0.7107","MoKα","","","0.0264","","","","0.0595","","","","","","0.994","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021948","9.2755","0.0002","13.5333","0.0003","25.1099","0.0007","90","","90","","90","","3152","0.13","180","2","180","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C37 H32 N2 O9 -","- C37 H32 N2 O9 -","- C148 H128 N8 O36 -","4","0.5","","Paolo Pengo; G. Dan Pantoş; Sijbren Otto; Jeremy K. M. Sanders","Efficient and Mild Microwave-Assisted Stepwise Functionalization of Naphthalenediimide with -Amino Acids","Journal of Organic Chemistry","2006","71","","7063","7066","10.1021/jo061195h","","","0.71073","MoKα","","0.0961","0.0488","","","0.1199","0.1423","","","","","","1.053","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021949","8.087","0.0001","8.2484","0.0001","12.1896","0.0003","82.999","0.001","81.897","0.001","68.672","0.001","747.65","0.02","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H29 N3 O8 -","- C36 H29 N3 O8 -","- C36 H29 N3 O8 -","1","1","","Paolo Pengo; G. Dan Pantoş; Sijbren Otto; Jeremy K. M. Sanders","Efficient and Mild Microwave-Assisted Stepwise Functionalization of Naphthalenediimide with -Amino Acids","Journal of Organic Chemistry","2006","71","","7063","7066","10.1021/jo061195h","","","0.71073","MoKα","","0.0347","0.0339","","","0.0957","0.0965","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021950","7.4919","0.0003","9.0192","0.0003","49.8755","0.0018","90","","90","","90","","3370.1","0.2","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H21 Br O5 -","- C17 H21 Br O5 -","- C136 H168 Br8 O40 -","8","1","","Tobias Bender; Tim Schuhmann; Jörg Magull; Stephanie Grond; Paultheo von Zezschwitz","Comprehensive Study of Okaspirodiol: Characterization, Total Synthesis, and Biosynthesis of a New Metabolite from Streptomyces","Journal of Organic Chemistry","2006","71","","7125","7132","10.1021/jo060149e","","","1.54178","CuKα","","0.0294","0.0286","","","0.0644","0.0648","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021951","8.9558","0.0001","22.6588","0.0003","13.5142","0.0002","90","","109.24","0.001","90","","2589.23","0.06","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","N,N'-Dibenzhydrylbisoidine","3,7-Bis(1,1-diphenylmetyl)-3,7-diazabicyclo[3.3.1]nonane","","- C33 H34 N2 -","- C33 H34 N2 -","- C132 H136 N8 -","4","1","","Lauri Toom; Agnes Kütt; Ivari Kaljurand; Ivo Leito; Henrik Ottosson; Helena Grennberg; Adolf Gogoll","Substituent Effects on the Basicity of 3,7-Diazabicyclo[3.3.1]nonanes","Journal of Organic Chemistry","2006","71","","7155","7164","10.1021/jo0604991","","","0.71073","MoKα","","0.0699","0.0507","","","0.1167","0.1283","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021952","16.2829","0.0009","9.8672","0.0005","17.0435","0.0009","90","","107.847","0.001","90","","2606.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","allenyl triethylamine salt","","","- C27 H36 Cl N O3 -","- C27 H36 Cl N O3 -","- C108 H144 Cl4 N4 O12 -","4","1","","Galla V. Karunakar; Mariappan Periasamy","Conversion of Propargyl Alcohols to Chloroallenes and Arylalkynes Using the TiCl~4~/R~3~N Reagent System","Journal of Organic Chemistry","2006","71","","7463","7466","10.1021/jo060683m","","","0.71073","MoKα","","0.1143","0.0821","","","0.261","0.2959","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021953","8.547","0.003","6.899","0.002","9.743","0.003","90","","101.65","0.007","90","","562.7","0.3","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","meso-(4R,5R,6S,7S)decane-4,5,6,7-tetraol","","- C10 H22 O4 -","- C10 H22 O4 -","- C20 H44 O8 -","2","0.5","","Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","Osmium Catalyzed Dihydroxylation of 1,2-Dioxines: A New Entry for Stereoselective Sugar Synthesis","Journal of Organic Chemistry","2006","71","","7236","7244","10.1021/jo060949p","","","0.71069","MoKα","","0.05","0.046","","","0.124","0.128","","","","","","1.1","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021954","12.3799","0.0005","24.2382","0.0012","21.2644","0.001","90","","101.707","0.005","90","","6248","0.5","200","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C104 H98 Cl24 O15 P4 -","- C104 H98 Cl24 O15 P4 -","- C208 H196 Cl48 O30 P8 -","2","1","","Benoît Laleu; Gérald Bernardinelli; Remi Chauvin; Jérôme Lacour","Trimesitylmethylphosphonium Cation. Supramolecular Stereocontrol and Simple Enantiomerization Mechanism Determination","Journal of Organic Chemistry","2006","71","","7412","7416","10.1021/jo061097w","","","0.71073","MoKα","","","0.044","","","","0.042","","","","","","1.28","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021955","9.6273","0.0007","16.1782","0.0012","11.0361","0.0008","90","","106.487","0.001","90","","1648.2","0.2","198","2","198","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Franck Caussanel; Keyan Wang; Sreekanth A. Ramachandran; Pierre Deslongchamps","Synthetic Approach Toward the Total Synthesis of Kempane Diterpenes via Transannular Diels-Alder Strategy","Journal of Organic Chemistry","2006","71","","7370","7377","10.1021/jo061230k","","","0.71073","MoKα","","0.0592","0.0404","","","0.1044","0.114","","","","","","1.042","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021956","6.6318","0.0016","10.293","0.003","13.75","0.003","99.427","0.005","96.076","0.004","107.618","0.004","870.3","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C40 H64 O6 -","2","1","","Franck Caussanel; Keyan Wang; Sreekanth A. Ramachandran; Pierre Deslongchamps","Synthetic Approach Toward the Total Synthesis of Kempane Diterpenes via Transannular Diels-Alder Strategy","Journal of Organic Chemistry","2006","71","","7370","7377","10.1021/jo061230k","","x-ray","0.71073","MoKα","","0.0775","0.0693","","","0.1707","0.1743","","","","","","0.993","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021957","9.129","0.004","11.674","0.004","11.962","0.004","68.03","0.03","86.95","0.03","87.76","0.03","1180.3","0.7","298","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C30 H24 N P -","- C30 N P -","- C60 N2 P2 -","2","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.099","0.057","","0.135","0.128","0.128","","","1.398","0.958","0.958","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021958","11.445","0.003","14.105","0.004","14.798","0.008","90","","113.59","0.08","90","","2189.3","1.5","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N P -","- C27 N P -","- C108 N4 P4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.119","0.043","","0.091","0.072","0.072","","","1.853","0.941","0.941","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021959","9.55","0.002","10.913","0.006","11.511","0.005","108.01","0.04","92.35","0.03","96.46","0.03","1130.1","0.8","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C27 H21 F N P -","- C27 F3 N P -","- C54 F6 N2 P2 -","2","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.059","0.053","","0.159","0.158","0.158","","","0.794","0.636","0.636","0.636","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021960","18.401","0.006","35.757","0.011","7.264","0.003","90","","90","","90","","4779","3","298","","","","","","","","","","Local laboratory","5","P b c a","-P 2ac 2ab","61","","","","- C29 H26 N O2 P -","- C29 N O2 P -","- C232 N8 O16 P8 -","8","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.166","0.047","","0.132","0.099","0.099","","","2.514","1.61","1.61","1.61","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021961","32.489","0.013","8.345","0.005","21.857","0.008","90","","132.24","0.03","90","","4387","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 N O P -","- C27 H24 N O P -","- C216 H192 N8 O8 P8 -","8","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.0663","0.0585","","","0.1612","0.1701","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021962","39.149","0.008","9.736","0.002","9.566","0.002","90","","96.414","0.005","90","","3623.3","1.3","293.1","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C39 H40 Cl N2 O2 P Pd -","- C39 H40 Cl N2 O2 P Pd -","- C156 H160 Cl4 N8 O8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.05","","","","0.055","","","","","","4.209","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021963","10.47","0.0013","15.561","0.002","22.835","0.003","90","","90","","90","","3720.3","0.9","293.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl N2 P Pd -","- C40 H38 Cl N2 P Pd -","- C160 H152 Cl4 N8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.056","","","","0.074","","","","","","5.223","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021964","9.24","0.001","14.715","0.002","27.222","0.004","90","","90","","90","","3701.4","0.8","293.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Cl F3 N2 P Pd -","- C37 H35 Cl F3 N2 P Pd -","- C148 H140 Cl4 F12 N8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.065","","","","0.086","","","","","","6.493","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021965","8.652","0.003","10.517","0.003","18.683","0.006","92.46","0.004","97.873","0.0004","106.201","0.004","1611.3","0.8","100.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 Cl8 N P Pd -","- C29 H26 Cl8 N P Pd -","- C58 H52 Cl16 N2 P2 Pd2 -","2","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.0612","","","","0.0844","","","","","","0.88","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021966","38.3957","0.0012","9.6498","0.0003","9.6342","0.0003","90","","101.35","","90","","3499.74","0.19","173","","173","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C37 H38 Cl N2 P Pd -","- C37 H38 Cl N2 P Pd -","- C148 H152 Cl4 N8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.71073","MoKα","","0.0611","0.0601","","","0.1932","0.1951","","","","","","1.705","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021967","8.6283","0.0004","10.2323","0.0005","11.4766","0.0006","84.168","0.003","68.788","0.002","72.628","0.002","901.48","0.08","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C40 H42 N2 O12 -","2","2","","Albert Padwa; Qiu Wang","Synthesis of the Tetracyclic Framework of the Erythrina Alkaloids Using a [4 + 2]-Cycloaddition/Rh(I)-Catalyzed Cascade of 2-Imidofurans","Journal of Organic Chemistry","2006","71","","7391","7402","10.1021/jo061269p","","","1.54178","CuKα","","0.06","0.0578","","","0.1536","0.1553","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021968","9.953","0.0015","6.9505","0.0011","11.7107","0.0018","90","","98.204","0.003","90","","801.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Albert Padwa; Qiu Wang","Synthesis of the Tetracyclic Framework of the Erythrina Alkaloids Using a [4 + 2]-Cycloaddition/Rh(I)-Catalyzed Cascade of 2-Imidofurans","Journal of Organic Chemistry","2006","71","","7391","7402","10.1021/jo061269p","","","0.71073","MoKα","","0.1525","0.0882","","","0.1548","0.1772","","","","","","1.004","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021969","12.609","0.002","14.633","0.002","8.6593","0.0014","90","","104.353","0.003","90","","1547.9","0.4","571","2","571","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Naphthalen-1-yl-3-nitro-cyclopropane-1,1-dicarboxylic acid dimethyl ester","","","- C17 H15 N O6 -","- C17 H15 N O6 -","- C68 H60 N4 O24 -","4","1","","Séamus H. McCooey; Thomas McCabe; Stephen J. Connon","Stereoselective Synthesis of Highly Functionalized Nitrocyclopropanes via Organocatalyic Conjugate Addition to Nitroalkenes","Journal of Organic Chemistry","2006","71","","7494","7497","10.1021/jo0613838","","","0.71073","MoKα","","0.0489","0.0424","","","0.1147","0.1203","","","","","","1.063","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021970","6.8464","0.0014","8.435","0.0017","26.544","0.005","90","","92.16","0.03","90","","1531.8","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ferrocene-Me2Uracil","5-(Ferrocenylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione","","- C17 H19 Fe N3 O2 -","- C17 H19 Fe N3 O2 -","- C68 H76 Fe4 N12 O8 -","4","1","","Gilles Gasser; Matthew J. Belousoff; Alan M. Bond; Leone Spiccia","Facile Synthesis and Detailed Characterization of a New Ferrocenyl Uracil Peptide Nucleic Acid Monomer","Journal of Organic Chemistry","2006","71","","7565","7573","10.1021/jo060868t","","","0.71073","MoKα","","0.1047","0.0682","","","0.1843","0.2642","","","","","","1.256","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021971","7.2646","0.0008","11.5316","0.0012","19.383","0.002","90","","90","","90","","1623.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Fe N O -","- C18 H25 Fe N O -","- C72 H100 Fe4 N4 O4 -","4","1","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0309","0.0297","","","0.0735","0.0743","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021972","9.7784","0.0006","9.7784","0.0006","22.852","0.003","90","","90","","90","","2185","0.3","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C28 H29 Fe N O -","- C28 H29 Fe N O -","- C112 H116 Fe4 N4 O4 -","4","1","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0307","0.0291","","","0.0687","0.0696","","","","","","1.025","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021973","8.5492","0.0011","17.527","0.002","28.923","0.004","90","","90","","90","","4333.9","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Fe N O -","- C28 H29 Fe N O -","- C224 H232 Fe8 N8 O8 -","8","2","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0304","0.0286","","","0.0671","0.068","","","","","","1.079","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021974","9.7996","0.0013","7.6731","0.001","17.769","0.002","90","","100.095","0.002","90","","1315.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H37 Fe N O -","- C32 H37 Fe N O -","- C64 H74 Fe2 N2 O2 -","2","1","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0418","0.04","","","0.0976","0.0987","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021975","12.7298","0.0002","12.7298","0.0002","33.4904","0.0008","90","","90","","120","","4699.96","0.15","173","1","173","1","","","","","","","","5","P 32","P 32","145","","(1S,4S,5R,6S,7S)-N-tert-butyloxycarbonyl-2-azabicyclo[2.2.1]heptan-7-bromo-5,6- (dimethylmethylene)dioxy-3-one","","- C14 H20 Br N O5 -","- C14 H20 Br N O5 -","- C168 H240 Br12 N12 O60 -","12","4","","James T. Slama; Nimish Mehta; Ewa Skrzypczak-Jankun","Carbocyclic Ribosylamines: Synthesis of 5-Substituted Carbocyclic β-Ribofuranosylamines","Journal of Organic Chemistry","2006","71","","7877","7880","10.1021/jo060920l","","","0.71073","MoKα","","0.0356","0.0257","","","0.0476","0.0494","","","","","","0.939","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021976","7.9231","0.0002","10.6847","0.0003","10.9859","0.0003","90","","100.571","0.001","90","","914.24","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C42 H44 O6 S2 -","2","1","","José L. García Ruano; M. Ángeles Fernández-Ibáñez; M. Carmen Maestro","Efficient trans-Selectivity in the Cyclocondensation of (S)-2-[2-(p-Tolylsulfinyl)phenyl]acetaldehyde with Activated Dienes Catalyzed by Yb(OTf)~3~","Journal of Organic Chemistry","2006","71","","7683","7689","10.1021/jo061128n","","","1.54178","CuKα","","0.0296","0.0288","","","0.0742","0.0751","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021977","6.3436","0.0001","7.2244","0.0001","18.0527","0.0002","90","","97.691","0.001","90","","819.889","0.019","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C38 H36 O6 S2 -","2","1","","José L. García Ruano; M. Ángeles Fernández-Ibáñez; M. Carmen Maestro","Efficient trans-Selectivity in the Cyclocondensation of (S)-2-[2-(p-Tolylsulfinyl)phenyl]acetaldehyde with Activated Dienes Catalyzed by Yb(OTf)~3~","Journal of Organic Chemistry","2006","71","","7683","7689","10.1021/jo061128n","","","1.54178","CuKα","","0.0386","0.0381","","","0.1016","0.1021","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021978","12.1305","0.0004","9.08","0.0003","13.9003","0.0004","90","","90.887","0.002","90","","1530.86","0.08","120","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C36 H35 N O5 -","- C36 H35 N O5 -","- C72 H70 N2 O10 -","2","1","","Gregory S. Coumbarides; Majid Motevalli; Warda A. Muse; Peter B. Wyatt","Stereoselective Synthesis of (E)-Mannosylidene Derivatives Using the Wittig Reaction","Journal of Organic Chemistry","2006","71","","7888","7891","10.1021/jo061178s","","","0.71073","MoKα","","0.0561","0.0449","","","0.1043","0.1098","","","","","","1.103","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021979","11.768","0.003","23.204","0.005","12.531","0.003","90","","92.748","0.004","90","","3417.7","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 Cl3 F3 N2 O6 S -","- C31 H30 Cl3 F3 N2 O6 S -","- C124 H120 Cl12 F12 N8 O24 S4 -","4","1","","Stefan Spange; Mirko Bauer; Bernhard Walfort; Heinrich Lang","Barbituric Acid as a Substituent at Aryl Methylium Ions","Journal of Organic Chemistry","2006","71","","7850","7853","10.1021/jo061196+","","","0.71073","MoKα","","0.1545","0.0514","","","0.1207","0.1393","","","","","","0.75","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021980","9.745","0.004","10.385","0.004","17.013","0.007","85.174","0.007","88.923","0.008","80.529","0.007","1692.3","1.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H39 N5 O5 -","- C38 H39 N5 O5 -","- C76 H78 N10 O10 -","2","1","","Stefan Spange; Mirko Bauer; Bernhard Walfort; Heinrich Lang","Barbituric Acid as a Substituent at Aryl Methylium Ions","Journal of Organic Chemistry","2006","71","","7850","7853","10.1021/jo061196+","","","0.71073","MoKα","","0.0877","0.049","","","0.1231","0.1426","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021981","7.2504","0.0015","23.958","0.005","9.568","0.0019","90","","96.49","0.03","90","","1651.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N O5 P -","- C14 H22 N O5 P -","- C56 H88 N4 O20 P4 -","4","1","","Yang-Ping Liu; Lan-Fen Wang; Zhou Nie; Yi-Qiong Ji; Yang Liu; Ke-Jian Liu; Qiu Tian","Effect of the Phosphoryl Substituent in the Linear Nitrone on the Spin Trapping of Superoxide Radical and the Stability of the Superoxide Adduct: Combined Experimental and Theoretical Studies","Journal of Organic Chemistry","2006","71","","7753","7762","10.1021/jo061204m","","","0.71073","MoKα","","0.0807","0.0567","","","0.1676","0.1832","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021982","19.732","0.002","19.732","0.002","19.732","0.002","90","","90","","90","","7683.2","1.6","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C39 H45 Br3 O3 -","- C39 H45 Br3 O3 -","- C312 H360 Br24 O24 -","8","0.333333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71073","MoKα","","0.0999","0.0457","","","0.1096","0.1192","","","","","","0.827","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021983","36.383","0.004","36.383","0.004","36.383","0.004","90","","90","","90","","48160","8","293","2","293","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","","","- C93 H105 B3 -","- C93 H105 B3 -","- C1488 H1680 B48 -","16","0.333333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71073","MoKα","","0.218","0.0693","","","0.1625","0.2256","","","","","","0.879","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021984","32.199","0.007","32.199","0.007","12.957","0.004","90","","90","","120","","11634","5","298","2","298","2","","","","","","","","3","P 63","P 6c","173","","","","- C75 H69 N3 -","- C75 H69 N3 -","- C600 H552 N24 -","8","1.33333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71073","MoKα","","0.2048","0.1069","","","0.2709","0.3586","","","","","","1.03","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021985","19.844","0.005","19.844","0.005","19.844","0.005","90","","90","","90","","7814","3","298","2","298","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C39 H45 I3 O3 -","- C39 H45 I3 O3 -","- C312 H360 I24 O24 -","8","0.333333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71069","MoKα","","0.0809","0.0519","","","0.1338","0.1528","","","","","","1.016","","","","has coordinates,has disorder","277942","2022-09-17","18:22:32",""
"4021986","20.0396","0.0009","20.0396","0.0009","6.5949","0.0004","90","","90","","90","","2648.4","0.2","298","","298","","","","","","","","","4","P 42/n :2","-P 4bc","86","","(Z)-2-benzo[1,4]dioxin-2-ylidene-N,N-diethylacetamide","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C112 H136 N8 O24 -","8","1","","Bartolo Gabriele; Giuseppe Salerno; Lucia Veltri; Raffaella Mancuso; Zhiyu Li; Alessandra Crispini; Anna Bellusci","A New Synthesis of 2,3-Dihydrobenzo[1,4]dioxine and 3,4-Dihydro-2H-benzo[1,4]oxazine Derivatives by Tandem Palladium-Catalyzed Oxidative Aminocarbonylation-Cyclization of 2-Prop-2-ynyloxyphenols and 2-Prop-2-ynyloxyanilines","Journal of Organic Chemistry","2006","71","","7895","7898","10.1021/jo061229l","","","0.71073","MoKα","","0.0795","0.0551","","","0.1668","0.1989","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021987","6.7277","0.0004","13.3202","0.001","14.9976","0.0011","89.706","0.004","86.144","0.004","86.008","0.004","1337.7","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","(Z)-2-(4H-benzo[1,4]oxazin-3-ylidene)-N,N-diethylacetamide","","- C28 H34 N4 O4 -","- C28 H34 N4 O4 -","- C56 H68 N8 O8 -","2","1","","Bartolo Gabriele; Giuseppe Salerno; Lucia Veltri; Raffaella Mancuso; Zhiyu Li; Alessandra Crispini; Anna Bellusci","A New Synthesis of 2,3-Dihydrobenzo[1,4]dioxine and 3,4-Dihydro-2H-benzo[1,4]oxazine Derivatives by Tandem Palladium-Catalyzed Oxidative Aminocarbonylation-Cyclization of 2-Prop-2-ynyloxyphenols and 2-Prop-2-ynyloxyanilines","Journal of Organic Chemistry","2006","71","","7895","7898","10.1021/jo061229l","","","0.71073","MoKα","","0.0726","0.0484","","","0.1367","0.1643","","","","","","1.056","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021988","16.481","0.002","27.466","0.004","14.888","0.002","90","","103.509","0.006","90","","6552.8","1.7","100","","100","","","","","","","","acetonitrile","5","P 1 21/c 1","-P 2ybc","14","","5-(2,6-di(phenylazo)-phenyl)-10,15,20-tri(2,4,6- trimethoxyphenyl)-porphyrin-acetonitrile-zinc(ii) acetonitrile solute","","- C71.5 H63.75 N11.25 O9 Zn -","- C71.51 H62.01 N11.26 O9 Zn -","- C286.04 H248.04 N45.04 O36 Zn4 -","4","1","","Maike V. Peters; Richard Goddard; Stefan Hecht","Synthesis and Characterization of Azobenzene-Confined Porphyrins","Journal of Organic Chemistry","2006","71","","7846","7849","10.1021/jo0612877","","","1.54178","CuKα","","0.1676","0.0953","","","0.2339","0.2852","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021989","16.309","0.006","27.606","0.01","15.201","0.005","90","","103.276","0.01","90","","6661","4","100","","100","","","","","","","","acetonitrile/cyclohexane","5","P 1 21/c 1","-P 2ybc","14","","5-(2,6-di(phenylazo)-phenyl)-10,15,20-tri(2,4,6- trimethoxyphenyl)-porphyrin-acetonitrile-zinc(ii) acetonitrile cyclohexane solute","","- C71.25 H64.5 N10 O9 Zn -","- C71.25 H59.25 N10 O9 Zn -","- C285 H237 N40 O36 Zn4 -","4","1","","Maike V. Peters; Richard Goddard; Stefan Hecht","Synthesis and Characterization of Azobenzene-Confined Porphyrins","Journal of Organic Chemistry","2006","71","","7846","7849","10.1021/jo0612877","","","1.54178","CuKα","","0.1793","0.1004","","","0.254","0.3119","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021990","17.081","0.004","6.1806","0.0017","18.749","0.005","90","","104.029","0.006","90","","1920.3","0.9","100","","100","","","","","","","","pentane also hexane/diethylether","3","P 1 21/n 1","-P 2yn","14","","4-tert-butyl-3,5-bis(phenyldiazenyl)toluene","","- C23 H24 N4 -","- C23 H24 N4 -","- C92 H96 N16 -","4","1","","Maike V. Peters; Ragnar S. Stoll; Richard Goddard; Gernot Buth; Stefan Hecht","On the Illusive Nature of o-Formylazobenzenes: Exploiting the Nucleophilicity of the Azo Group for Cyclization to Indazole Derivatives","Journal of Organic Chemistry","2006","71","","7840","7845","10.1021/jo061288z","","","0.8","synchrotron","","0.0704","0.0558","","","0.1271","0.1351","","","","","","0.919","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021991","6.173","0.003","15.424","0.008","19.545","0.011","90","","91.888","0.013","90","","1859.9","1.8","100","","100","","","","","","","","hexane/diethylether","3","P 1 21/n 1","-P 2yn","14","","2-phenyl-4-phenyldiazenyl-6-tert-butyl-indazole","","- C23 H22 N4 -","- C23 H22 N4 -","- C92 H88 N16 -","4","1","","Maike V. Peters; Ragnar S. Stoll; Richard Goddard; Gernot Buth; Stefan Hecht","On the Illusive Nature of o-Formylazobenzenes: Exploiting the Nucleophilicity of the Azo Group for Cyclization to Indazole Derivatives","Journal of Organic Chemistry","2006","71","","7840","7845","10.1021/jo061288z","","","0.8","synchrotron","","0.1015","0.0799","","","0.1954","0.2115","","","","","","1.027","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021992","23.155","0.002","11.9939","0.0013","7.0969","0.0007","90","","90","","90","","1970.9","0.3","100","","100","","","","","","","","acetonitrile","4","P b c n","-P 2n 2ab","60","","2-N-phenyl-indazol-3-one","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","","Maike V. Peters; Ragnar S. Stoll; Richard Goddard; Gernot Buth; Stefan Hecht","On the Illusive Nature of o-Formylazobenzenes: Exploiting the Nucleophilicity of the Azo Group for Cyclization to Indazole Derivatives","Journal of Organic Chemistry","2006","71","","7840","7845","10.1021/jo061288z","","","1.54178","CuKα","","0.1368","0.0638","","","0.1326","0.1689","","","","","","1.017","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021993","8.9899","0.0009","10.4965","0.001","11.5357","0.0011","67.726","0.005","72.898","0.005","88.678","0.005","957.95","0.16","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H29 F -","- C24 H29 F -","- C48 H58 F2 -","2","1","","Yi Wang; Jianjun Xu; Donald J. Burton","A Simple, Two-Step, Site-Specific Preparation of Fluorinated Naphthalene and Phenanthrene Derivatives from Fluorobromo-Substituted Alkenes","Journal of Organic Chemistry","2006","71","","7780","7784","10.1021/jo061305k","","","0.71069","MoKα","","0.0746","0.046","","","0.1103","0.1263","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021994","24.7067","0.0009","7.5782","0.0001","28.9751","0.0005","90","","101.974","0.003","90","","5307","0.2","190","2","190","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H17 F -","- C18 H17 F -","- C288 H272 F16 -","16","2","","Yi Wang; Jianjun Xu; Donald J. Burton","A Simple, Two-Step, Site-Specific Preparation of Fluorinated Naphthalene and Phenanthrene Derivatives from Fluorobromo-Substituted Alkenes","Journal of Organic Chemistry","2006","71","","7780","7784","10.1021/jo061305k","","","0.71073","MoKα","","0.0815","0.0466","","","0.1118","0.1291","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021995","10.517","0.001","12.589","0.001","13.854","0.001","72.45","0.01","70.51","0.01","70.07","0.01","1588.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-5-((E)-3-(1,4-bis(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol- 3-yl)allylidene)-1,3-bis(4-methoxyphenyl)imidazolidine-2,4-dione","","- C36 H31 N5 O7 -","- C36 H31 N5 O7 -","- C72 H62 N10 O14 -","2","1","","Roberta Palkó; Zsuzsanna Riedl; Orsolya Egyed; László Fábián; György Hajós","New Facile Tandem Route to Oxo- and Thioxo[1,2,4]triazolo[1,5-a]pyridinium Salts","Journal of Organic Chemistry","2006","71","","7805","7812","10.1021/jo061361l","","","1.54184","CUkα","","0.0763","0.0575","","","0.1658","0.1802","","","","","","1.105","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021996","8.568","0.003","36.381","0.007","9.457","0.006","90","","98.27","0.02","90","","2917","2","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 F3 N5 O8 -","- C30 H28 F2.939 N5 O8 -","- C120 H112 F11.756 N20 O32 -","4","1","","Elizabeth R. Gillies; Christel Dolain; Jean-Michel Léger; Ivan Huc","Amphipathic Helices from Aromatic Amino Acid Oligomers","Journal of Organic Chemistry","2006","71","","7931","7939","10.1021/jo0603577","","","1.54178","CuKα","","0.0609","0.0573","","","0.1814","0.1926","","","","","","1.124","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021997","10.6083","0.0004","21.8311","0.0005","24.3418","0.0011","86.317","0.004","89.074","0.004","83.529","0.003","5589.6","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H115 F9 N20 O23 -","- C110.99 H114.97 F9 N20 O23 -","- C221.98 H229.94 F18 N40 O46 -","2","1","","Elizabeth R. Gillies; Christel Dolain; Jean-Michel Léger; Ivan Huc","Amphipathic Helices from Aromatic Amino Acid Oligomers","Journal of Organic Chemistry","2006","71","","7931","7939","10.1021/jo0603577","","","1.54178","CuKα","","0.162","0.1427","","","0.4684","0.5164","","","","","","1.063","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021998","17.0458","0.0003","21.4658","0.0003","21.6536","0.0005","89.712","0.002","78.77","0.002","80.944","0.002","7671.8","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C152 H166 F12 N24 O36 -","- C152 H132 F12 N24 O36 -","- C304 H264 F24 N48 O72 -","2","1","","Elizabeth R. Gillies; Christel Dolain; Jean-Michel Léger; Ivan Huc","Amphipathic Helices from Aromatic Amino Acid Oligomers","Journal of Organic Chemistry","2006","71","","7931","7939","10.1021/jo0603577","","","1.54178","CuKα","","0.1223","0.1136","","","0.4073","0.4387","","","","","","1.066","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021999","38.89","0.01","20.452","0.005","8.701","0.003","89","","89","","90","","6919","3","300.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H50 O4 -","- C42 H50 O4 -","- C336 H400 O32 -","8","1","","Tamotsu Takahashi; Shi Li; Wenying Huang; Fanzhi Kong; Kiyohiko Nakajima; Baojian Shen; Takahiro Ohe; Ken-ichiro Kanno","Homologation Method for Preparation of Substituted Pentacenes and Naphthacenes","Journal of Organic Chemistry","2006","71","","7967","7977","10.1021/jo060923y","","","1.5418","CuKα","","","0.045","","","","0.038","","","","","","1.885","","","","has coordinates","208254","2020-10-21","18:00:00",""
"4022000","20.07","0.009","20.84","0.01","10.101","0.006","91.39","0.05","100.87","0.04","104.53","0.04","4004","3","300.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C92 H118 O8 -","- C92 H116 O8 -","- C184 H232 O16 -","2","1","","Tamotsu Takahashi; Shi Li; Wenying Huang; Fanzhi Kong; Kiyohiko Nakajima; Baojian Shen; Takahiro Ohe; Ken-ichiro Kanno","Homologation Method for Preparation of Substituted Pentacenes and Naphthacenes","Journal of Organic Chemistry","2006","71","","7967","7977","10.1021/jo060923y","","","1.5418","CuKα","","","0.111","","","","0.081","","","","","","4.693","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022001","12.517","0.003","10.304","0.002","19.366","0.003","90","","104.76","0.04","90","","2415.3","1","298.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H32 O4 Si2 -","- C24 H32 O4 Si2 -","- C96 H128 O16 Si8 -","4","1","","Tamotsu Takahashi; Shi Li; Wenying Huang; Fanzhi Kong; Kiyohiko Nakajima; Baojian Shen; Takahiro Ohe; Ken-ichiro Kanno","Homologation Method for Preparation of Substituted Pentacenes and Naphthacenes","Journal of Organic Chemistry","2006","71","","7967","7977","10.1021/jo060923y","","","0.7107","MoKα","","","0.0436","","","","0.0676","","","","","","1.402","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022002","8.5096","0.0005","9.116","0.0003","22.3675","0.0012","90","","90","","90","","1735.13","0.15","293","2","293","2","","","","","","","","3","P c 21 b","P -2bc -2c","29","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","1","","Do Han Kim; Kwang Kim; Young Keun Chung","A Facile Synthesis of the Basic Steroidal Skeleton Using a Pauson-Khand Reaction as a Key Step","Journal of Organic Chemistry","2006","71","","8264","8267","10.1021/jo061052v","","","0.71073","MoKα","","0.0757","0.0491","","","0.1036","0.1156","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022003","7.9228","0.0001","10.6696","0.0002","11.9294","0.0002","100.696","0.0006","108.599","0.0006","94.2119","0.0007","929.58","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 I O3 S -","- C7 H7 I O3 S -","- C28 H28 I4 O12 S4 -","4","2","","Darko Dolenc; Božo Plesničar","Abstraction of Iodine from Aromatic Iodides by Alkyl Radicals: Steric and Electronic Effects","Journal of Organic Chemistry","2006","71","","8028","8036","10.1021/jo061125a","","","0.71073","MoKα","","0.027","0.0253","","","0.0701","0.071","","","","","","1.178","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022004","11.4023","0.0002","12.5114","0.0002","17.0335","0.0003","90","","101.099","0.0007","90","","2384.52","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 F6 I O -","- C10 H7 F6 I O -","- C80 H56 F48 I8 O8 -","8","2","","Darko Dolenc; Božo Plesničar","Abstraction of Iodine from Aromatic Iodides by Alkyl Radicals: Steric and Electronic Effects","Journal of Organic Chemistry","2006","71","","8028","8036","10.1021/jo061125a","","","0.71073","MoKα","","0.0298","0.0251","","","0.0644","0.0741","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022005","9.0732","0.001","10.0821","0.0011","10.659","0.0012","87.53","0.002","85.689","0.002","70.442","0.002","916.03","0.18","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H36 N2 O4 -","- C52 H36 N2 O4 -","- C52 H36 N2 O4 -","1","0.5","","Hyuma Masu; Ikuko Mizutani; Takako Kato; Isao Azumaya; Kentaro Yamaguchi; Keiki Kishikawa; Shigeo Kohmoto","Naphthalene- and Anthracene-Based Aromatic Foldamers with Iminodicarbonyl Linkers: Their Stabilities and Application to a Chiral Photochromic System Using Retro [4 + 4] Cycloaddition","Journal of Organic Chemistry","2006","71","","8037","8044","10.1021/jo0611317","","","0.71073","MoKα","","0.0738","0.0454","","","0.1105","0.1221","","","","","","1.061","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022006","9.0414","0.0007","9.4957","0.0007","13.2099","0.001","103.916","0.001","97.833","0.001","110.019","0.001","1004.17","0.13","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 N2 O4 -","- C54 H40 N2 O4 -","- C54 H40 N2 O4 -","1","0.5","","Hyuma Masu; Ikuko Mizutani; Takako Kato; Isao Azumaya; Kentaro Yamaguchi; Keiki Kishikawa; Shigeo Kohmoto","Naphthalene- and Anthracene-Based Aromatic Foldamers with Iminodicarbonyl Linkers: Their Stabilities and Application to a Chiral Photochromic System Using Retro [4 + 4] Cycloaddition","Journal of Organic Chemistry","2006","71","","8037","8044","10.1021/jo0611317","","","0.71073","MoKα","","0.0776","0.0585","","","0.1486","0.1621","","","","","","1.05","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022007","6.656","0.005","8.686","0.005","20.105","0.005","95.741","0.005","94.709","0.005","109.103","0.005","1084.7","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl N2 O2 S -","- C25 H21 Cl N2 O2 S -","- C50 H42 Cl2 N4 O4 S2 -","2","1","","Yan Li; Fushun Liang; Xihe Bi; Qun Liu","Intramolecular Thia-anti-Michael Addition of a Sulfur Anion to Enones: A Regiospecific Approach to Multisubstituted Thiophene Derivatives","Journal of Organic Chemistry","2006","71","","8006","8010","10.1021/jo0611420","","","0.71069","MoKα","","0.1224","0.079","","","0.2065","0.2483","","","","","","0.926","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022008","12.396","0.005","6.627","0.005","27.073","0.005","90","0.005","94.564","0.005","90","0.005","2216.9","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O3 S -","- C26 H24 N2 O3 S -","- C104 H96 N8 O12 S4 -","4","1","","Yan Li; Fushun Liang; Xihe Bi; Qun Liu","Intramolecular Thia-anti-Michael Addition of a Sulfur Anion to Enones: A Regiospecific Approach to Multisubstituted Thiophene Derivatives","Journal of Organic Chemistry","2006","71","","8006","8010","10.1021/jo0611420","","","0.71069","MoKα","","0.1363","0.0804","","","0.1533","0.1788","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022009","10.849","0.005","16.398","0.003","9.71","0.006","90","","90","","90","","1727.5","1.3","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","Weimin Lin; Nancy Tryder; Fan Su; Charles K. Zercher; Jerry P. Jasinski; Ray J. Butcher","Stereocontrolled Formation of Ketomethylene Isosteres through Tandem Chain Extension Reactions","Journal of Organic Chemistry","2006","71","","8140","8145","10.1021/jo061184o","","","0.71069","MoKα","","","0.0506","","","","0.2045","","","","","","0.995","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022010","8.384","0.004","20.291","0.005","6.443","0.004","90.29","0.02","112.06","0.03","89.876","0.009","1015.8","0.8","295.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N5 O7 -","- C18 H22 N5 O7 -","- C36 H44 N10 O14 -","2","1","","Weimin Lin; Nancy Tryder; Fan Su; Charles K. Zercher; Jerry P. Jasinski; Ray J. Butcher","Stereocontrolled Formation of Ketomethylene Isosteres through Tandem Chain Extension Reactions","Journal of Organic Chemistry","2006","71","","8140","8145","10.1021/jo061184o","","","0.7107","MoKα","","","0.0428","","","","0.0614","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022011","5.7024","0.0002","18.5996","0.0006","19.8661","0.0009","90.011","0.002","89.994","0.002","85.451","0.002","2100.41","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","O,N-Dibenzoyl-5-hydroxylamino-3-heptafluoropropyl-1,2,4-triazin-6-one","","- C20 H11 F7 N4 O4 -","- C20 H11 F7 N4 O4 -","- C80 H44 F28 N16 O16 -","4","2","","Silvestre Buscemi; Andrea Pace; Antonio Palumbo Piccionello; Ivana Pibiri; Nicoló Vivona; Gianluca Giorgi; Andrea Mazzanti; Domenico Spinelli","Five-to-Six Membered Ring-Rearrangements in the Reaction of 5-Perfluoroalkyl-1,2,4-oxadiazoles with Hydrazine and Methylhydrazine","Journal of Organic Chemistry","2006","71","","8106","8113","10.1021/jo061251e","","","0.71073","MoKα","","0.1582","0.0615","","","0.1124","0.1412","","","","","","0.997","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4022012","5.267","0.002","40.867","0.008","9.623","0.002","90","","102.16","0.01","90","","2024.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-N-methyl-5-hydroxylamino-3-pentadecafluoroheptyl-1,2,4-triazin-6-one","","- C13 H10 F15 N4 O3 -","- C13 H11 F15 N4 O3 -","- C52 H44 F60 N16 O12 -","4","1","","Silvestre Buscemi; Andrea Pace; Antonio Palumbo Piccionello; Ivana Pibiri; Nicoló Vivona; Gianluca Giorgi; Andrea Mazzanti; Domenico Spinelli","Five-to-Six Membered Ring-Rearrangements in the Reaction of 5-Perfluoroalkyl-1,2,4-oxadiazoles with Hydrazine and Methylhydrazine","Journal of Organic Chemistry","2006","71","","8106","8113","10.1021/jo061251e","","","0.71073","MoKα","","0.3206","0.1088","","","0.2149","0.3066","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022013","10.2668","0.0003","6.1673","0.0002","30.2383","0.0007","90","","93.43","0.001","90","","1911.21","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Heptadecafluorooctyl-1-methyl-5-phenyl-1H-[1,2,4]triazole","","- C16 H8 F15 N3 -","- C16 H8 F15 N3 -","- C64 H32 F60 N12 -","4","1","","Silvestre Buscemi; Andrea Pace; Antonio Palumbo Piccionello; Ivana Pibiri; Nicoló Vivona; Gianluca Giorgi; Andrea Mazzanti; Domenico Spinelli","Five-to-Six Membered Ring-Rearrangements in the Reaction of 5-Perfluoroalkyl-1,2,4-oxadiazoles with Hydrazine and Methylhydrazine","Journal of Organic Chemistry","2006","71","","8106","8113","10.1021/jo061251e","","","0.71073","MoKα","","0.0579","0.0393","","","0.0859","0.0946","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022014","19.642","0.007","10.2","0.004","8.221","0.003","90","","95.4","0.02","90","","1639.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F3 N O8 S -","- C13 H10 F3 N O8 S -","- C52 H40 F12 N4 O32 S4 -","4","1","","Hermut Wehlan; Eva Jezek; Nathalie Lebrasseur; Grégoire Pavé; Emmanuel Roulland; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Synthesis of the CDEF Ring System","Journal of Organic Chemistry","2006","71","","8151","8158","10.1021/jo0613378","","","1.54178","CuKα","","0.143","0.0817","","","0.2078","0.2496","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022015","14.21","0.004","8.578","0.003","13.297","0.004","90","","103.33","0.006","90","","1577.3","0.8","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.1036","0.0464","","","0.104","0.1328","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022016","16.447","0.003","13.067","0.002","13.693","0.002","90","","101.532","0.003","90","","2883.5","0.8","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O -","- C20 H16 O -","- C160 H128 O8 -","8","2","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.1187","0.0438","","","0.0889","0.1145","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022017","9.1968","0.0018","9.722","0.002","11.602","0.002","66.783","0.003","82.017","0.004","75.466","0.003","921.9","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 O S -","- C25 H18 O S -","- C50 H36 O2 S2 -","2","1","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.0653","0.0427","","","0.1088","0.125","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022018","18.454","0.004","22.937","0.005","7.2039","0.0015","90","","90","","90","","3049.3","1.2","294","2","294","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C21 H16 O -","- C21 H16 O -","- C168 H128 O8 -","8","1","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.1134","0.0446","","","0.0859","0.1088","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022019","33.97","0.005","9.2207","0.0015","23.354","0.004","90","","110.094","0.003","90","","6870","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18.25 Fe O -","- C23 H18.25 Fe O -","- C368 H292 Fe16 O16 -","16","4","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.2201","0.0769","","","0.1731","0.2285","","","","","","1.042","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022020","8.6562","0.0015","8.6562","0.0015","22.961","0.006","90","","90","","90","","1720.5","0.6","294","2","294","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","0.5","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.0726","0.0452","","","0.1058","0.1191","","","","","","1.156","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022021","19.51","0.003","18.79","0.003","11.821","0.002","90","","126.895","0.002","90","","3465.7","1","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C176 H192 O16 -","8","1","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.09","0.0488","","","0.117","0.1364","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022022","12.8189","0.0009","7.7506","0.0005","15.7635","0.0011","90","","94.281","0.001","90","","1561.8","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 F4 O4 -","- C14 H20 F4 O4 -","- C56 H80 F16 O16 -","4","1","","Gerry A. Griffith; Ian H. Hillier; Jonathan M. Percy; Ricard Roig; Mark A. Vincent","Quantifying the Reactivity of a Remarkably Long-Lived Difluorinated Enol in Acidic Methanol via Solution Kinetics and Electronic Structure Calculations","Journal of Organic Chemistry","2006","71","","8250","8255","10.1021/jo061450y","","","0.71073","MoKα","","0.0387","0.0362","","","0.0936","0.0954","","","","","","1.035","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022023","7.1422","0.0003","11.0909","0.0004","21.2039","0.0007","90","","90","","90","","1679.63","0.11","220","2","220","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","Methyl aceric acid dimer","Dimethyl (2S,3R,3aS,4aS,6S,7R,7aS,8aS)-3,7-dihydroxy-2,6-dimethyl- hexahydro-1,4,5,8-tetraoxa-s-indacene-3,7-dicarboxylate","","- C14 H22 O11 -","- C14 H22 O11 -","- C56 H88 O44 -","4","1","","Mattie S. M. Timmer; Bridget L. Stocker; Peter H. Seeberger","De Novo Synthesis of Aceric Acid and an Aceric Acid Building Block","Journal of Organic Chemistry","2006","71","","8294","8297","10.1021/jo061607m","","","0.7107","MoKα","","0.0372","0.0323","","","0.0816","0.0849","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022024","5.4985","0.0007","13.2676","0.0011","20.6881","0.0013","90","","90","","90","","1509.2","0.2","220","2","220","2","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","Methyl 4-epi-aceric acid diethyl dithio acetal","5-deoxy-3-C-methoxycarbonyl-D-arabinose diethyl dithio acetal","","- C11 H22 O5 S2 -","- C11 H22 O5 S2 -","- C44 H88 O20 S8 -","4","1","","Mattie S. M. Timmer; Bridget L. Stocker; Peter H. Seeberger","De Novo Synthesis of Aceric Acid and an Aceric Acid Building Block","Journal of Organic Chemistry","2006","71","","8294","8297","10.1021/jo061607m","","","0.7107","MoKα","","0.0863","0.0576","","","0.1211","0.1362","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022025","8.2354","0.0002","15.8639","0.0004","28.4689","0.0008","90","","90","","90","","3719.34","0.17","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 N2 O6 -","- C40 H48 N2 O6 -","- C160 H192 N8 O24 -","4","1","","Paul R. Blakemore; Colin Kilner; Selena D. Milicevic","Resolution, Enantiomerization Kinetics, and Chiroptical Properties of 7,7'-Dihydroxy-8,8'-biquinolyl","Journal of Organic Chemistry","2006","71","","8212","8218","10.1021/jo061608e","","x-ray","0.71073","MoKα","","0.0848","0.0527","","","0.1101","0.1266","","","","","","1.086","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022026","17.987","0.004","11.679","0.002","13.663","0.003","90","","111.21","0.03","90","","2675.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Methyl-2-phenyl-4-(trimethylphosphoranylidene)-2,4- dihydro-3H-pyrazol-3-one","","- C13 H17 N2 O P -","- C13 H17 N2 O P -","- C104 H136 N16 O8 P8 -","8","2","","Anatoliy P. Marchenko; Georgyi N. Koidan; Aleksandr N. Kostyuk; Andrei A. Tolmachev; Evgenij G. Kapustin; Aleksandr M. Pinchuk","A Representative of P,P,P-Trihalogenylides: Synthesis and Structure","Journal of Organic Chemistry","2006","71","","8633","8636","10.1021/jo0606352","","","1.54178","CuKα","","0.086","0.0557","","","0.134","0.1479","","","","","","1.017","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022027","12.028","0.004","12.923","0.005","16.482","0.004","90","","90","","90","","2561.8","1.4","293","","293","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-4-(trichlorophoshoranylidene)- 2,4-dihydro-3H-pyrazol-3-one","","- C10 H8 Cl3 N2 O P -","- C10 H8 Cl3 N2 O P -","- C80 H64 Cl24 N16 O8 P8 -","8","1","","Anatoliy P. Marchenko; Georgyi N. Koidan; Aleksandr N. Kostyuk; Andrei A. Tolmachev; Evgenij G. Kapustin; Aleksandr M. Pinchuk","A Representative of P,P,P-Trihalogenylides: Synthesis and Structure","Journal of Organic Chemistry","2006","71","","8633","8636","10.1021/jo0606352","","","1.5418","CuKα","","0.1734","0.0612","","0.1308","0.0625","0.0625","","","","","","1.1512","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022028","10.127","0.008","12.462","0.009","25.76","0.02","84.4","0.04","84.69","0.03","78.62","0.03","3163","4","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C75 H54 Cl6 O12 -","- C75 H54 Cl6 O12 -","- C150 H108 Cl12 O24 -","2","1","","Daisuke Takeuchi; Itaru Asano; Kohtaro Osakada","Synthesis and Structure of Cyclic Oligo(p-phenylene oxide)s, -(C~6~H~4~O)~n~- (n = 6-10)","Journal of Organic Chemistry","2006","71","","8614","8617","10.1021/jo0609982","","","0.7107","MoKα","","","0.069","","","","0.104","","","","","","0.997","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022029","14.61","0.02","10.187","0.015","26.99","0.04","90","","101.36","0.03","90","","3938","11","293.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 Cl6 O7 -","- C44 H30 Cl6 O7 -","- C176 H120 Cl24 O28 -","4","1","","Daisuke Takeuchi; Itaru Asano; Kohtaro Osakada","Synthesis and Structure of Cyclic Oligo(p-phenylene oxide)s, - (C~6~H~4~O)~n~ - (n = 6-10)","Journal of Organic Chemistry","2006","71","","8614","8617","10.1021/jo0609982","","","0.7107","MoKα","","","0.0566","","","","0.0507","","","","","","0.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022030","9.596","0.007","14.145","0.01","17.077","0.013","83.87","0.04","81.86","0.03","87.12","0.03","2280","3","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H34 Cl6 O8 -","- C50 H34 Cl6 O8 -","- C100 H68 Cl12 O16 -","2","1","","Daisuke Takeuchi; Itaru Asano; Kohtaro Osakada","Synthesis and Structure of Cyclic Oligo(p-phenylene oxide)s, - (C~6~H~4~O)~n~ - (n = 6-10)","Journal of Organic Chemistry","2006","71","","8614","8617","10.1021/jo0609982","","","0.7107","MoKα","","","0.0816","","","","0.1334","","","","","","0.954","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022031","10.566","0.009","14.099","0.011","19.125","0.014","77.94","0.04","74.87","0.03","76.71","0.03","2643","4","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H51 Cl3 O9 -","- C55 H37 Cl3 O9 -","- C110 H74 Cl6 O18 -","2","1","","Daisuke Takeuchi; Itaru Asano; Kohtaro Osakada","Synthesis and Structure of Cyclic Oligo(p-phenylene oxide)s, - (C~6~H~4~O)~n~ - (n = 6-10)","Journal of Organic Chemistry","2006","71","","8614","8617","10.1021/jo0609982","","","0.7107","MoKα","","","0.11","","","","0.159","","","","","","0.784","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022032","17.51","0.01","5.662","0.001","9.238","0.003","90","","90.25","0.02","90","","915.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F2 O2 -","- C10 H8 F2 O2 -","- C40 H32 F8 O8 -","4","1","","Wadih Ghattas; Corinna R. Hess; Gilles Iacazio; Renaud Hardré; Judith P. Klinman; Marius Réglier","Pathway for the Stereocontrolled Z and E Production of α,α-Difluorine-Substituted Phenyl Butenoates","Journal of Organic Chemistry","2006","71","","8618","8621","10.1021/jo061022s","","","0.71073","MoKα","","0.0625","0.0545","","","0.118","0.1226","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022033","18.045","0.001","5.4411","0.0002","9.4675","0.0006","90","","93.781","0.001","90","","927.47","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F2 O2 -","- C10 H8 F2 O2 -","- C40 H32 F8 O8 -","4","1","","Wadih Ghattas; Corinna R. Hess; Gilles Iacazio; Renaud Hardré; Judith P. Klinman; Marius Réglier","Pathway for the Stereocontrolled Z and E Production of α,α-Difluorine-Substituted Phenyl Butenoates","Journal of Organic Chemistry","2006","71","","8618","8621","10.1021/jo061022s","","","0.71073","MoKα","","0.0551","0.0442","","","0.1039","0.1111","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022034","8.2333","0.0006","25.9013","0.0019","9.8295","0.0007","90","","95.776","0.001","90","","2085.5","0.3","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C92 H112 O28 -","4","1","","Uttam K. Tambar; Taichi Kano; John F. Zepernick; Brian M. Stoltz","Convergent and Diastereoselective Synthesis of the Polycyclic Pyran Core of Saudin","Journal of Organic Chemistry","2006","71","","8357","8364","10.1021/jo061236+","","","0.71073","MoKα","","0.0574","0.0418","","","0.0643","0.0657","","","","","","1.845","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022035","12.3799","0.0011","7.2521","0.0007","17.2138","0.0015","90","","101.892","0.002","90","","1512.3","0.2","98","2","98","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C72 H64 O24 -","4","1","","Uttam K. Tambar; Taichi Kano; John F. Zepernick; Brian M. Stoltz","Convergent and Diastereoselective Synthesis of the Polycyclic Pyran Core of Saudin","Journal of Organic Chemistry","2006","71","","8357","8364","10.1021/jo061236+","","","0.71073","MoKα","","0.0606","0.0425","","","0.0689","0.071","","","","","","1.948","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022036","10.3188","0.0007","10.5705","0.0008","27.269","0.002","90","","92.941","0.001","90","","2970.5","0.4","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 O6 Si -","- C34 H38 O6 Si -","- C136 H152 O24 Si4 -","4","1","","Uttam K. Tambar; Taichi Kano; John F. Zepernick; Brian M. Stoltz","Convergent and Diastereoselective Synthesis of the Polycyclic Pyran Core of Saudin","Journal of Organic Chemistry","2006","71","","8357","8364","10.1021/jo061236+","","","0.71073","MoKα","","0.0835","0.0491","","","0.0689","0.0712","","","","","","1.686","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022037","11.6082","0.0006","11.9869","0.0005","16.3251","0.0008","94.876","0.003","100.979","0.002","91.852","0.003","2219.2","0.18","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H42 O4 -","- C60 H42 O4 -","- C120 H84 O8 -","2","1","","Chung-Chieh Lee; Man-kit Leung; Gene-Hsiang Lee; Yi-Hung Liu; Shie-Ming Peng","Revisit of the Dessy-White Intramolecular Acetylene-Acetylene [2 + 2] Cycloadditions","Journal of Organic Chemistry","2006","71","","8417","8423","10.1021/jo061334v","","","0.71073","MoKα","","0.1549","0.0666","","","0.1408","0.183","","","","","","1.021","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022038","6.4818","0.0013","9.578","0.0019","8.9682","0.0018","90","","91.9","0.03","90","","556.47","0.19","243","2","243","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl O3 -","- C12 H15 Cl O3 -","- C24 H30 Cl2 O6 -","2","1","","Jollie D. Godfrey, Jr.; Rita T. Fox; Frederic G. Buono; Jack Z. Gougoutas; Mary F. Malley","Novel 1,4-Homofragmentation via an α-Lactone","Journal of Organic Chemistry","2006","71","","8647","8650","10.1021/jo0613380","","x-ray","1.54178","CuKα","","0.1001","0.0904","","","0.2235","0.243","","","","","","1.456","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022039","16.2933","0.0019","12.0291","0.0014","27.005","0.003","90","","99.948","0.002","90","","5213.3","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N O3 Si -","- C28 H29 N O3 Si -","- C224 H232 N8 O24 Si8 -","8","2","","Christopher J. T. Hyland; Louis S. Hegedus","Gold-Catalyzed and N-Iodosuccinimide-Mediated Cyclization of -Substituted Allenamides","Journal of Organic Chemistry","2006","71","","8658","8660","10.1021/jo061340r","","","0.71073","MoKα","","0.1145","0.0502","","","0.1204","0.1588","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022040","14.939","0.01","11.769","0.008","8.078","0.005","90","","104.291","0.007","90","","1376.4","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jrc1551n","","","- C14 H7 Cl3 N2 O -","- C14 H7 Cl3 N2 O -","- C56 H28 Cl12 N8 O4 -","4","1","","Raymond J. Cvetovich; Robert A. Reamer; Lisa DiMichele; John Y. L. Chung; Jennifer R. Chilenski","Unique Tandem Heck-Lactamization Naphthyridinone Ring Formation between Acrylanilides and Halogenated Pyridines","Journal of Organic Chemistry","2006","71","","8610","8613","10.1021/jo0613479","","","0.71073","MoKα","","0.0931","0.0517","","","0.1182","0.1345","","","","","","0.955","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022041","7.9218","0.001","15.295","0.002","10.2586","0.001","90","","99.385","0.006","90","","1226.3","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","Paquette 1483","","","- C13 H13 Br2 N O -","- C13 H13 Br2 N O -","- C52 H52 Br8 N4 O4 -","4","1","","Leo A. Paquette; Robert D. Dura; Nathan Fosnaugh; Marshall Stepanian","Direct Comparison of the Response of Bicyclic Sultam and Lactam Dienes to Photoexcitation. Concerning the Propensity of Differing Bond Types to Bridgehead Nitrogen for Homolytic Cleavage","Journal of Organic Chemistry","2006","71","","8438","8445","10.1021/jo061404y","","x-ray","0.71073","MoKα","","0.0377","0.0254","","","0.0545","0.0578","","","","","","1.031","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022042","11.46","0.002","11.07","0.002","17.536","0.003","90","","100.395","0.01","90","","2188.1","0.7","150","2","150","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C96 H88 N8 O16 S8 -","8","2","","Leo A. Paquette; Robert D. Dura; Nathan Fosnaugh; Marshall Stepanian","Direct Comparison of the Response of Bicyclic Sultam and Lactam Dienes to Photoexcitation. Concerning the Propensity of Differing Bond Types to Bridgehead Nitrogen for Homolytic Cleavage","Journal of Organic Chemistry","2006","71","","8438","8445","10.1021/jo061404y","","x-ray","0.71073","MoKα","","0.0503","0.0416","","","0.0982","0.1023","","","","","","1.026","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022043","12.701","0.003","14.224","0.003","15.263","0.003","90","","91.56","0.03","90","","2756.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 B Cl2 N O8 -","- C29 H20 B Cl2 N O8 -","- C116 H80 B4 Cl8 N4 O32 -","4","1","","K. M. K. Swamy; Yoon Ju Lee; Han Na Lee; Jihyun Chun; Youngmee Kim; Sung-Jin Kim; Juyoung Yoon","A New Fluorescein Derivative Bearing a Boronic Acid Group as a Fluorescent Chemosensor for Fluoride Ion","Journal of Organic Chemistry","2006","71","","8626","8628","10.1021/jo061429x","","","0.71073","MoKα","","0.2762","0.1112","","","0.2902","0.3784","","","","","","0.965","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022044","19.017","0.003","7.7976","0.0011","8.8937","0.0012","90","","90","","90","","1318.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Azasugar","","","- C12 H21 N O5 -","- C12 H21 N O5 -","- C48 H84 N4 O20 -","4","1","","Ganesh Pandey; Shrinivas G. Dumbre; M. Islam Khan; M. Shabab","Convergent Approach toward the Synthesis of the Stereoisomers of C-6 Homologues of 1-Deoxynojirimycin and Their Analogues: Evaluation as Specific Glycosidase Inhibitors","Journal of Organic Chemistry","2006","71","","8481","8488","10.1021/jo061455v","","","0.71073","MoKα","","0.0412","0.0385","","","0.0836","0.0845","","","","","","1.215","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022045","5.3217","0.0007","9.7758","0.0013","16.549","0.002","90","","92.897","0.002","90","","859.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Azasugar","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Ganesh Pandey; Shrinivas G. Dumbre; M. Islam Khan; M. Shabab","Convergent Approach toward the Synthesis of the Stereoisomers of C-6 Homologues of 1-Deoxynojirimycin and Their Analogues: Evaluation as Specific Glycosidase Inhibitors","Journal of Organic Chemistry","2006","71","","8481","8488","10.1021/jo061455v","","","0.71073","MoKα","","0.0746","0.0724","","","0.2217","0.2235","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022046","8.335","0.003","11.268","0.004","11.396","0.004","71.118","0.007","82.086","0.007","85.152","0.007","1002.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Cl N O2 P -","- C23 H21 Cl N O2 P -","- C46 H42 Cl2 N2 O4 P2 -","2","1","","Wei Tang; Yi-Xiang Ding","Synthesis of Phosphaisoquinolin-1-ones by Pd(II)-Catalyzed Cyclization of o-(1-Alkynyl)phenylphosphonamide Monoesters","Journal of Organic Chemistry","2006","71","","8489","8492","10.1021/jo0614644","","","0.71073","MoKα","","0.0916","0.0573","","","0.1214","0.1375","","","","","","0.924","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022047","6.2665","0.0015","13.0901","0.0015","12.7349","0.0017","90","","102.746","0.014","90","","1018.9","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 I O3 -","- C9 H11 I O3 -","- C36 H44 I4 O12 -","4","1","","Alexey Y. Koposov; Rashad R. Karimov; Ivan M. Geraskin; Victor N. Nemykin; Viktor V. Zhdankin","2-Iodylphenol Ethers: Preparation, X-ray Crystal Structure, and Reactivity of New Hypervalent Iodine(V) Oxidizing Reagents","Journal of Organic Chemistry","2006","71","","8452","8458","10.1021/jo0614947","","","0.71073","MoKα","","0.0415","0.0384","","0.1051","0.1031","0.1031","","","","","","0.8219","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022048","14.117","0.005","12.342","0.003","6.582","0.005","90","","98.8","0.04","90","","1133.3","1","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 I O3 -","- C10 H13 I O3 -","- C40 H52 I4 O12 -","4","1","","Alexey Y. Koposov; Rashad R. Karimov; Ivan M. Geraskin; Victor N. Nemykin; Viktor V. Zhdankin","2-Iodylphenol Ethers: Preparation, X-ray Crystal Structure, and Reactivity of New Hypervalent Iodine(V) Oxidizing Reagents","Journal of Organic Chemistry","2006","71","","8452","8458","10.1021/jo0614947","","","0.71073","MoKα","","0.064","0.0445","","0.1264","0.1078","0.1078","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022049","6.0038","0.0002","8.1286","0.0002","23.0641","0.0007","90","","90.5392","0.0014","90","","1125.5","","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","6-[(4-Methylphenyl)sulfonyl]-3-oxa-6-azabicyclo[3.1.0]hexane","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","1","","David M. Hodgson; Bogdan Štefane; Timothy J. Miles; Jason Witherington","Organolithium-Induced Alkylative Ring Opening of Aziridines: Synthesis of Unsaturated Amino Alcohols and Ethers","Journal of Organic Chemistry","2006","71","","8510","8515","10.1021/jo0615201","","","0.71073","MoKα","","","0.0408","","","","0.0485","","","","","","1.0548","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022050","11.8092","0.0004","10.8815","0.0004","11.5938","0.0005","90","","113.039","0.0014","90","","1371","0.09","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","2-Methyl-N-(4-methyllene-1,6-dioxaspiro[4.4]non-3-yl)-4-propane-2-sulfonamide","","- C12 H21 N O4 S -","- C12 H21 N O4 S -","- C48 H84 N4 O16 S4 -","4","1","","David M. Hodgson; Bogdan Štefane; Timothy J. Miles; Jason Witherington","Organolithium-Induced Alkylative Ring Opening of Aziridines: Synthesis of Unsaturated Amino Alcohols and Ethers","Journal of Organic Chemistry","2006","71","","8510","8515","10.1021/jo0615201","","","0.71073","MoKα","","","0.0609","","","","0.0721","","","","","","0.9971","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022051","8.161","0.003","10.241","0.004","34.89","0.012","90","","90","","90","","2916","1.9","108","2","108","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 N3 O5 -","- C30 H39 N3 O5 -","- C120 H156 N12 O20 -","4","1","","Takashi Emura; Toru Esaki; Kazutaka Tachibana; Makoto Shimizu","Efficient Asymmetric Synthesis of Novel Gastrin Receptor Antagonist AG-041R via Highly Stereoselective Alkylation of Oxindole Enolates","Journal of Organic Chemistry","2006","71","","8559","8564","10.1021/jo061541v","","","0.7","","","0.0409","0.0407","","","0.1058","0.1062","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022052","9.2444","0.0009","12.5227","0.0012","15.7503","0.0015","90","","90.117","0.012","90","","1823.3","0.3","293","2","293","2","","","","","","","","3","P c m n","-P 2n 2ac","62","","","","- C26 H32 O -","- C26 H32 O -","- C104 H128 O4 -","4","0.5","","Andrey A. Fokin; Peter R. Schreiner; Natalie A. Fokina; Boryslav A. Tkachenko; Heike Hausmann; Michael Serafin; Jeremy E. P. Dahl; Shenggao Liu; Robert M. K. Carlson","Reactivity of [1(2,3)4]Pentamantane (T~d~-Pentamantane): A Nanoscale Model of Diamond","Journal of Organic Chemistry","2006","71","","8532","8540","10.1021/jo061561x","","","0.71073","MoKα","","0.0712","0.0413","","","0.1163","0.1357","","","","","","0.855","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022053","17.134","0.002","23.476","0.002","8.699","0.001","90","","102.01","0.01","90","","3422.5","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(5-Hydroxy-5-methylhexa-1,3-diynyl)-9H-fluoren-9-one","","- C20.5 H14 Cl1.5 D0.5 O2 -","- C20.5 H14 Cl1.5 D0.5 O2 -","- C164 H112 Cl12 D4 O16 -","8","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0666","0.0414","","","0.0985","0.1128","","","","","","1.027","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022054","13.4126","0.0016","12.6904","0.0014","13.4632","0.0015","90","","113.86","0.01","90","","2095.7","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methyl-6-(pyridine-2-yl)hexa-3,5-diyn-2-ol","","- C12 H11 N O -","- C12 H11 N O -","- C96 H88 N8 O8 -","8","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0512","0.0397","","","0.1064","0.118","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022055","3.7873","0.0003","21.832","0.002","13.6754","0.0012","90","","96.58","0.01","90","","1123.3","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Buta-1,3-diynyl)-9H-fluoren-9-one","","- C17 H8 O -","- C17 H8 O -","- C68 H32 O4 -","4","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0594","0.0361","","","0.0775","0.0829","","","","","","0.882","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022056","7.3361","0.0007","16.6477","0.0014","18.7004","0.0015","90","","90","","90","","2283.9","0.3","120","2","120","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","4-(Buta-1,3-diynyl)-1,1'-biphenyl","","- C16 H10 -","- C16 H10 -","- C128 H80 -","8","2","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0778","0.0532","","","0.0921","0.099","","","","","","1.086","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022057","3.82","0.0004","14.3322","0.0015","12.4728","0.0014","90","","95.235","0.015","90","","680.02","0.13","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(buta-1,3-diynyl)-pyridine","","- C9 H5 N -","- C9 H5 N -","- C36 H20 N4 -","4","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0542","0.0367","","","0.0884","0.0957","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022058","3.8203","0.0004","8.8878","0.0009","10.3102","0.0011","104.261","0.004","92.738","0.004","92.274","0.004","338.42","0.06","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","4-(buta-1,3-diynyl)-pyridine","","- C9 H5 N -","- C9 H5 N -","- C18 H10 N2 -","2","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.069","0.042","","","0.0802","0.0882","","","","","","0.858","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022059","3.8182","0.0007","17.949","0.003","9.4768","0.0016","90","","94.48","0.01","90","","647.5","0.2","120","2","120","2","","","","","","","","3","P 1 n 1","P -2yac","7","","2-(Buta-1,3-diynyl)pyrazine","","- C8 H4 N2 -","- C8 H4 N2 -","- C32 H16 N8 -","4","2","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0625","0.0553","","","0.1505","0.1566","","","","","","1.054","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022060","19.223","0.002","12.311","0.0015","22.588","0.003","90","","90","","90","","5345.6","1.1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl2 F2 N3 O -","- C29 H27 Cl2 F2 N3 O -","- C232 H216 Cl16 F16 N24 O8 -","8","1","","John Y. L. Chung; Raymond J. Cvetovich; Mark McLaughlin; Joseph Amato; Fuh-Rong Tsay; Mark Jensen; Steve Weissman; Daniel Zewge","Synthesis of a Naphthyridone p38 MAP Kinase Inhibitor","Journal of Organic Chemistry","2006","71","","8602","8609","10.1021/jo061618f","","","0.71073","MoKα","","0.0785","0.0489","","","0.112","0.1256","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022061","10.1891","0.001","12.4256","0.0011","17.2441","0.0017","90","","90","","90","","2183.2","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05140a","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Michael R. Tracey; Jossian Oppenheimer; Richard P. Hsung","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloadditions of Ynamides in the Synthesis of Amide-Substituted Chiral Biaryls","Journal of Organic Chemistry","2006","71","","8629","8632","10.1021/jo061683p","","","0.71073","MoKα","","0.0422","0.0316","","","0.0679","0.0737","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022062","10.6366","0.0009","13.009","0.0011","15.8176","0.0013","90","","90","","90","","2188.7","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05183a","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Michael R. Tracey; Jossian Oppenheimer; Richard P. Hsung","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloadditions of Ynamides in the Synthesis of Amide-Substituted Chiral Biaryls","Journal of Organic Chemistry","2006","71","","8629","8632","10.1021/jo061683p","","","0.71073","MoKα","","0.0451","0.0327","","","0.0738","0.0829","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022063","8.2606","0.0008","10.2738","0.001","16.721","0.0016","90","","97.719","0.002","90","","1406.2","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","06095","","","- C32 H32 Cl2 N2 O2 -","- C32 H32 Cl2 N2 O2 -","- C64 H64 Cl4 N4 O4 -","2","1","","Michael R. Tracey; Jossian Oppenheimer; Richard P. Hsung","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloadditions of Ynamides in the Synthesis of Amide-Substituted Chiral Biaryls","Journal of Organic Chemistry","2006","71","","8629","8632","10.1021/jo061683p","","","0.71073","MoKα","","0.066","0.0484","","","0.1179","0.1326","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022064","9.7828","0.0009","9.8015","0.0009","15.3502","0.0014","78.978","0.002","82.309","0.002","68.047","0.002","1336.8","0.2","467","2","467","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H34 O5 -","- C31 H34 O5 -","- C62 H68 O10 -","2","1","","Jenny Y. Yang; Julien Bachmann; Daniel G. Nocera","Hangman Salen Platforms Containing Two Xanthene Scaffolds","Journal of Organic Chemistry","2006","71","","8706","8714","10.1021/jo0613075","","","0.71073","MoKα","","0.1084","0.072","","","0.1568","0.1738","","","","","","1.021","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022065","9.157","0.007","11.143","0.01","12.5","0.011","77.035","0.014","83.053","0.017","79.421","0.018","1217.6","1.8","467","2","467","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H33 B O5 -","- C25 H33 B O5 -","- C50 H66 B2 O10 -","2","1","","Jenny Y. Yang; Julien Bachmann; Daniel G. Nocera","Hangman Salen Platforms Containing Two Xanthene Scaffolds","Journal of Organic Chemistry","2006","71","","8706","8714","10.1021/jo0613075","","","0.71073","MoKα","","0.1935","0.097","","","0.171","0.2057","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022066","17.111","0.009","8.01","0.005","11.588","0.006","90","","105.1","0.02","90","","1533.4","1.4","123.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H32 Cl2 Rh2 -","- C38 H32 Cl2 Rh2 -","- C76 H64 Cl4 Rh4 -","2","0.5","","Guillaume Berthon-Gelloz; Tamio Hayashi","Expanding the C2-Symmetric Bicyclo[2.2.1]hepta-2,5-diene Ligand Family: Concise Synthesis and Catalytic Activity in Rhodium-Catalyzed Asymmetric Addition","Journal of Organic Chemistry","2006","71","","8957","8960","10.1021/jo061385s","","","0.71075","MoKα","","","0.0217","","","","0.0322","","","","","","0.953","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022067","11.175","0.0009","13.0823","0.001","16.1471","0.0012","78.82","0.003","71.278","0.003","85.826","0.003","2193.1","0.3","110","","110","","","","","","","","","6","P -1","-P 1","2","","(9-BBN)25","","- C46 H68 B2 N4 O3 Si -","- C46 H68 B2 N4 O3 Si -","- C92 H136 B4 N8 O6 Si2 -","2","1","","Jayeeta Bhaumik; Zhen Yao; K. Eszter Borbas; Masahiko Taniguchi; Jonathan S. Lindsey","Masked Imidazolyl-Dipyrromethanes in the Synthesis of Imidazole-Substituted Porphyrins","Journal of Organic Chemistry","2006","71","","8807","8817","10.1021/jo061461r","","","0.71073","MolybdenumKα","","0.102","0.082","","0.096","","0.091","","","","","","2.01","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4022068","14.736","0.001","5.811","0.001","15.376","0.002","90","","113.68","0.01","90","","1205.8","0.3","568","2","568","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-6-(p-Toluenesulfinyl)-3H-pyrrolizine","","- C14 H13 N O S -","- C14 H13 N O S -","- C56 H52 N4 O4 S4 -","4","2","","Marian Mikołajczyk; Jerzy A. Krysiak; Wanda H. Midura; Michał W. Wieczorek; Ewa Róz̀ycka-Sokołowska","General Route to Racemic and Enantiomeric Carbo- and Heterocyclic Vinyl Sulfoxides via Tandem Michael Addition/Horner Olefination of α-Phosphorylvinyl Sulfoxides","Journal of Organic Chemistry","2006","71","","8818","8823","10.1021/jo061463b","","","1.5418","CuKα","","0.0506","0.0476","","","0.1279","0.1327","","","","","","1.06","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022069","21.6669","0.0015","9.9002","0.0007","29.684","0.002","90","","110.114","0.001","90","","5979","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 N2 O6 -","- C35 H32 N2 O6 -","- C280 H256 N16 O48 -","8","2","","Miguel A. Sierra; Daniel Pellico; Mar Gómez-Gallego; María José Mancheño; Rosario Torres","Synthesis of Highly Functionalized Macrocycles by the Peripheral Functionalization of Macrocyclic Diimines","Journal of Organic Chemistry","2006","71","","8787","8793","10.1021/jo0614689","","","0.71073","MoKα","","0.1407","0.0439","","","0.1063","0.1402","","","","","","0.892","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022070","20.785","0.0016","11.9521","0.0009","16.836","0.0012","90","","108.458","0.002","90","","3967.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Co2 N2 O12 -","- C42 H30 Co2 N2 O12 -","- C168 H120 Co8 N8 O48 -","4","1","","Miguel A. Sierra; Daniel Pellico; Mar Gómez-Gallego; María José Mancheño; Rosario Torres","Synthesis of Highly Functionalized Macrocycles by the Peripheral Functionalization of Macrocyclic Diimines","Journal of Organic Chemistry","2006","71","","8787","8793","10.1021/jo0614689","","","0.71073","MoKα","","0.1505","0.0462","","","0.0892","0.1172","","","","","","0.831","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022071","7.549","0.002","21.693","0.005","10.004","0.002","90","","95.96","0.01","90","","1629.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","2","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","0.71073","MoKα","","0.0664","0.0493","","","0.1166","0.1272","","","","","","1.025","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022072","7.5969","0.0003","19.9937","0.0008","22.45","0.007","90","","90","","90","","3409.9","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N O -","- C22 H21 N O -","- C176 H168 N8 O8 -","8","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.095","0.036","","","0.0623","0.072","","","","","","0.842","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022073","8.4972","0.0007","13.9255","0.0014","14.9265","0.0015","90","","98.785","0.004","90","","1745.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","0.71073","MoKα","","0.0939","0.0461","","","0.0673","0.0731","","","","","","0.97","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022074","19.541","0.003","8.2533","0.0009","20.397","0.003","90","","90","","90","","3289.6","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H13 Cl2 N O -","- C19 H13 Cl2 N O -","- C152 H104 Cl16 N8 O8 -","8","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.058","0.055","","","0.1366","0.1392","","","","","","1.178","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022075","14.244","0.004","14.943","0.004","7.233","0.003","90","","90.25","0.03","90","","1539.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl2 N O -","- C19 H13 Cl2 N O -","- C76 H52 Cl8 N4 O4 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0988","0.0763","","","0.1653","0.177","","","","","","1.267","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022076","14.375","0.002","13.899","0.005","7.2983","0.0012","90","","90.609","0.013","90","","1458.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 F2 N O -","- C19 H13 F2 N O -","- C76 H52 F8 N4 O4 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0597","0.0292","","","0.0569","0.0613","","","","","","0.861","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022077","7.952","0.004","22.9243","0.0013","8.4014","0.0005","90","","90.348","0.014","90","","1531.5","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C68 H104 O8 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0573","0.0395","","","0.1038","0.1081","","","","","","1.087","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022078","10.8284","0.0004","7.1857","0.0003","18.2382","0.0008","90","","92.07","0.004","90","","1418.18","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl2 O2 -","- C14 H18 Cl2 O2 -","- C56 H72 Cl8 O8 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0605","0.0364","","","0.0859","0.089","","","","","","0.863","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022079","14.5012","0.0004","16.6918","0.0004","12.0839","0.0003","90","","106.741","0.003","90","","2800.95","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl2 O2 -","- C14 H18 Cl2 O2 -","- C112 H144 Cl16 O16 -","8","2","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0628","0.0385","","","0.0885","0.0919","","","","","","0.883","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022080","11.539","0.002","5.6179","0.0011","11.803","0.002","90","","111.051","0.004","90","","714.1","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O -","- C16 H23 N O -","- C32 H46 N2 O2 -","2","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","0.71073","MoKα","","0.1059","0.0517","","","0.059","0.0655","","","","","","0.893","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022081","9.258","0.001","28.609","0.002","10.689","0.001","90","","106.06","0.01","90","","2720.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C112 H152 N8 O16 -","8","2","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","1.54178","CuKα","","0.0582","0.0445","","","0.1107","0.1204","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022082","11.637","0.002","8.227","0.001","17.298","0.004","90","","96.72","0.01","90","","1644.7","0.5","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","0.71073","MoKα","","0.0995","0.0497","","","0.0984","0.112","","","","","","0.971","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022083","6.777","0.003","16.509","0.007","24.731","0.01","90","","90","","90","","2767","1.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 N O2 Se -","- C29 H41 N O2 Se -","- C116 H164 N4 O8 Se4 -","4","1","","Rafael Pedrosa; Celia Andrés; Pilar Mendiguchía; Javier Nieto","Diastereoselective Synthesis of Enantiopure Morpholines by Electrophilic Selenium-Induced 6-exo Cyclizations on Chiral 3-Allyl-2-hydroxymethylperhydro-1,3-benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","8854","8863","10.1021/jo061547k","","","0.71073","MoKα","","0.0435","0.0289","","","0.0566","0.0595","","","","","","0.917","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022084","6.0619","0.0009","15.504","0.002","29.274","0.004","90","","90","","90","","2751.4","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N O2 Se -","- C30 H41 N O2 Se -","- C120 H164 N4 O8 Se4 -","4","1","","Rafael Pedrosa; Celia Andrés; Pilar Mendiguchía; Javier Nieto","Diastereoselective Synthesis of Enantiopure Morpholines by Electrophilic Selenium-Induced 6-exo Cyclizations on Chiral 3-Allyl-2-hydroxymethylperhydro-1,3-benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","8854","8863","10.1021/jo061547k","","","0.71073","MoKα","","0.0493","0.0361","","","0.0844","0.0911","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022085","7.525","0.002","8.893","0.003","11.94","0.003","98.191","0.005","103.853","0.005","114.504","0.004","678.9","0.3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C34 H32 O6 -","2","1","","Vijay Nair; Manojkumar Poonoth; Sreekumar Vellalath; Eringathodi Suresh; Rajasekaran Thirumalai","An N-Heterocyclic Carbene-Catalyzed [8 + 3] Annulation of Tropone and Enals via Homoenolate","Journal of Organic Chemistry","2006","71","","8964","8965","10.1021/jo0615706","","","0.71073","MoKα","","0.0635","0.0519","","","0.1347","0.1507","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022086","12.0009","0.0018","7.0164","0.001","12.796","0.002","90","","114.245","0.012","90","","982.4","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 F2 N2 O6 -","- C20 H18 F2 N2 O6 -","- C40 H36 F4 N4 O12 -","2","1","","Ireneusz Nowak; Morris J. Robins","Addition of Difluorocarbene to 4',5'-Unsaturated Nucleosides: Synthesis and Deoxygenation Reactions of Difluorospirocyclopropane Nucleosides","Journal of Organic Chemistry","2006","71","","8876","8883","10.1021/jo061606u","","","0.71073","MoKα","","0.0406","0.0337","","","0.0834","0.0872","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022087","7.2562","0.0011","11.261","0.002","20.674","0.003","90","","90","","90","","1689.3","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F2 N6 O3 -","- C16 H16 F2 N6 O3 -","- C64 H64 F8 N24 O12 -","4","1","","Ireneusz Nowak; Morris J. Robins","Addition of Difluorocarbene to 4',5'-Unsaturated Nucleosides: Synthesis and Deoxygenation Reactions of Difluorospirocyclopropane Nucleosides","Journal of Organic Chemistry","2006","71","","8876","8883","10.1021/jo061606u","","","0.71073","MoKα","","0.0726","0.048","","","0.1008","0.1118","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022088","5.3533","0.0005","17.484","0.002","12.0785","0.0012","90","","100.109","0.008","90","","1113","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F2 N3 O3 -","- C10 H11 F2 N3 O3 -","- C40 H44 F8 N12 O12 -","4","2","","Ireneusz Nowak; Morris J. Robins","Addition of Difluorocarbene to 4',5'-Unsaturated Nucleosides: Synthesis and Deoxygenation Reactions of Difluorospirocyclopropane Nucleosides","Journal of Organic Chemistry","2006","71","","8876","8883","10.1021/jo061606u","","","0.71073","MoKα","","0.0615","0.053","","","0.1319","0.1376","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022089","9.2282","0.0016","10.0766","0.0018","13.599","0.002","98.625","0.003","94.892","0.003","115.068","0.003","1116.8","0.3","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Br Cl2 N2 O6 -","- C23 H21 Br Cl2 N2 O6 -","- C46 H42 Br2 Cl4 N4 O12 -","2","1","","Jae Hong Seo; Gerald D. Artman, III; Steven M. Weinreb","Synthetic Studies on Perophoramidine and the Communesins: Construction of the Vicinal Quaternary Stereocenters","Journal of Organic Chemistry","2006","71","","8891","8900","10.1021/jo061660a","","","0.71073","MoKα","","0.0305","0.0291","","","0.0819","0.0828","","","","","","1.054","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022090","8.6926","0.0015","10.0514","0.0017","14.349","0.002","81.199","0.003","73.995","0.003","71.852","0.003","1142.1","0.3","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cl2 N2 O5 -","- C24 H26 Cl2 N2 O5 -","- C48 H52 Cl4 N4 O10 -","2","1","","Jae Hong Seo; Gerald D. Artman, III; Steven M. Weinreb","Synthetic Studies on Perophoramidine and the Communesins: Construction of the Vicinal Quaternary Stereocenters","Journal of Organic Chemistry","2006","71","","8891","8900","10.1021/jo061660a","","","0.71073","MoKα","","0.0526","0.0439","","","0.1173","0.1274","","","","","","1.056","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022091","21.4654","0.0004","17.0244","0.0003","21.6341","0.0005","90","","90","","90","","7905.9","0.3","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H44 F6 N6 O6 S2 Zn -","- C36 H44 F6 N6 O6 S2 Zn -","- C288 H352 F48 N48 O48 S16 Zn8 -","8","1","","Woosung Kim; Soon Mog So; Leonid Chagal; Alan J. Lough; B. Moon Kim; Jik Chin","Stereoselective Recognition of Vicinal Diamines with a Zn(II) Complex","Journal of Organic Chemistry","2006","71","","8966","8968","10.1021/jo0616815","","","0.71073","MoKα","","0.1071","0.0472","","","0.1041","0.1254","","","","","","1.014","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022092","6.9396","0.0004","6.9396","0.0004","50.665","0.005","90","","90","","90","","2439.9","0.3","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H30 Br2 N2 O3 -","- C26 H30 Br2 N2 O3 -","- C104 H120 Br8 N8 O12 -","4","0.5","","Sivaraman Dandapani; Ping Lan; Aaron B. Beeler; Scott Beischel; Athier Abbas; Bryan L. Roth; John A. Porco, Jr.; James S. Panek","Convergent Synthesis of Complex Diketopiperazines Derived from Pipecolic Acid Scaffolds and Parallel Screening against GPCR Targets","Journal of Organic Chemistry","2006","71","","8934","8945","10.1021/jo061758p","","","0.71073","MoKα","","0.0736","0.0674","","","0.1577","0.1607","","","","","","1.176","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022093","18.168","0.004","27.585","0.007","9.004","0.003","90","0","90","0","90","0","4512.6","0.000002","150","","","","","","","","","","Local laboratory","5","P n c a","-P 2a 2n","60","","","","- C22 H32 Cr O4 Si -","- C22 H27 Cr O4 Si -","- C176 H216 Cr8 O32 Si8 -","8","1","","Hajime Mori; Takafumi Matsuo; Yasunori Yoshioka; Shigeo Katsumura","Highly Activated Vinyl Hydrogen in a Significantly Twisted Styrene","Journal of Organic Chemistry","2006","71","","9004","9012","10.1021/jo061092z","","","1.5418","CuKa","","","0.062","","","0.067","","","","","6.063","6.063","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022094","8.2634","0.0017","13.768","0.003","23.321","0.005","90","","94.97","0.03","90","","2643.3","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl2 N7 O12 Zn -","- C19 H21 Cl2 N7 O12 Zn -","- C76 H84 Cl8 N28 O48 Zn4 -","4","1","","Mimoun Chadlaoui; Belén Abarca; Rafael Ballesteros; Carmen Ramírez de Arellano; Juan Aguilar; Ricardo Aucejo; Enrique García-España","Properties of a Triazolopyridine System as a Molecular Chemosensor for Metal Ions, Anions, and Amino Acids","Journal of Organic Chemistry","2006","71","","9030","9034","10.1021/jo061326e","","","0.71073","MoKα","","0.102","0.0463","","","0.0951","0.1122","","","","","","1.01","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022095","10.87","0.002","11.836","0.002","13.685","0.002","104.059","0.006","112.55","0.006","92.755","0.006","1557.6","0.5","150","2","150","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C31 H35 N3 O9 -","- C31 H35 N3 O9 -","- C62 H70 N6 O18 -","2","2","","Christopher J. Gabriel; Matthew P. DeMatteo; Noel M. Paul; Tomohisa Takaya; Terry L. Gustafson; Christopher M. Hadad; Jon R. Parquette","A New Class of Intramolecularly Hydrogen-Bonded Dendrons Based on a 2-Methoxyisophthalamide Repeat Unit","Journal of Organic Chemistry","2006","71","","9035","9044","10.1021/jo061351k","","x-ray","0.71073","MoKα","","0.0739","0.0544","","","0.1426","0.1549","","","","","","1.052","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022096","11.3922","0.0009","7.8682","0.0005","48.276","0.007","90","","95.37","0.01","90","","4308.3","0.8","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 O2 S16 -","- C34 H34 O2 S16 -","- C136 H136 O8 S64 -","4","1","","Giovanna Delogu; Davide Fabbri; Maria Antonietta Dettori; Marc Sallé; Franck Le Derf; María-Jesús Blesa; Magali Allain","Electroactive C~2~ Symmetry Receptors Based on the Biphenyl Scaffold and Tetrathiafulvalene Units","Journal of Organic Chemistry","2006","71","","9096","9103","10.1021/jo061446m","","x-ray","0.71073","MoKα","","","0.0913","","","","0.2572","","","","","","0.783","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022097","10.2841","0.0016","14.47","0.002","17.65","0.003","103.072","0.003","92.721","0.003","90.565","0.003","2554.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H54 N6 O12 S2 -","- C49.999 H54 N6 O12 S1.999 -","- C99.998 H108 N12 O24 S3.998 -","2","1","","Štefan Marchalín; Barbora Baumlová; Peter Baran; Hassan Oulyadi; Adam Daïch","Tandem Michael Addition/Amino-Nitrile Cyclization from 2-Formyl-1,4-DHP in the Synthesis of Novel Dihydroindolizine-Based Compounds","Journal of Organic Chemistry","2006","71","","9114","9127","10.1021/jo0615044","","","0.71073","MoKα","","0.1561","0.0627","","","0.1351","0.1672","","","","","","0.881","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022098","10.6692","0.0017","16.623","0.003","17.567","0.003","79.277","0.003","73.795","0.003","75.746","0.003","2876.6","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H60 N6 O15 S2 -","- C52 H57 N6 O15 S2 -","- C104 H114 N12 O30 S4 -","2","1","","Štefan Marchalín; Barbora Baumlová; Peter Baran; Hassan Oulyadi; Adam Daïch","Tandem Michael Addition/Amino-Nitrile Cyclization from 2-Formyl-1,4-DHP in the Synthesis of Novel Dihydroindolizine-Based Compounds","Journal of Organic Chemistry","2006","71","","9114","9127","10.1021/jo0615044","","","0.71073","MoKα","","0.1754","0.0928","","","0.2611","0.3113","","","","","","0.999","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022099","8.9698","0.0011","12.5206","0.0015","13.9081","0.0017","111.335","0.002","91.23","0.002","105.587","0.002","1389","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N3 O7 S -","- C25.996 H29 N3 O7 S0.999 -","- C51.992 H58 N6 O14 S1.998 -","2","1","","Štefan Marchalín; Barbora Baumlová; Peter Baran; Hassan Oulyadi; Adam Daïch","Tandem Michael Addition/Amino-Nitrile Cyclization from 2-Formyl-1,4-DHP in the Synthesis of Novel Dihydroindolizine-Based Compounds","Journal of Organic Chemistry","2006","71","","9114","9127","10.1021/jo0615044","","","0.71073","MoKα","","0.119","0.0568","","","0.1352","0.1611","","","","","","1.015","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022100","18.185","0.004","13.451","0.003","11.78","0.002","90","","90","","90","","2881.6","1","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H26 N4 O6 S2 -","- C27.98 H26 N4 O6 S2 -","- C111.92 H104 N16 O24 S8 -","4","1","","Štefan Marchalín; Barbora Baumlová; Peter Baran; Hassan Oulyadi; Adam Daïch","Tandem Michael Addition/Amino-Nitrile Cyclization from 2-Formyl-1,4-DHP in the Synthesis of Novel Dihydroindolizine-Based Compounds","Journal of Organic Chemistry","2006","71","","9114","9127","10.1021/jo0615044","","","0.71073","MoKα","","0.2683","0.0546","","","0.1052","0.1767","","","","","","0.833","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022101","10.494","0.004","6.123","0.002","10.705","0.004","90","","93.923","0.004","90","","686.3","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","","Weibin Chen; Cynthia S. Day; S. Bruce King","Grignard Reagent-Mediated Conversion of an Acyl Nitroso-anthracene Cycloadduct to a Nitrone","Journal of Organic Chemistry","2006","71","","9221","9224","10.1021/jo0615192","","","0.71073","MoKα","","0.0724","0.0575","","","0.1097","0.116","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022102","8.506","0.008","11.707","0.011","14.351","0.013","93.279","0.019","96.129","0.019","92.54","0.02","1417","2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 N2 O2 -","- C38 H34 N2 O2 -","- C76 H68 N4 O4 -","2","1","","Weibin Chen; Cynthia S. Day; S. Bruce King","Grignard Reagent-Mediated Conversion of an Acyl Nitroso-anthracene Cycloadduct to a Nitrone","Journal of Organic Chemistry","2006","71","","9221","9224","10.1021/jo0615192","","","0.71073","MoKα","","0.1931","0.0726","","","0.0928","0.121","","","","","","0.759","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022103","26.85","0.003","6.2772","0.0008","20.267","0.003","90","","118.876","0.002","90","","2991.1","0.6","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 O3 P -","- C15 H19 O3 P -","- C120 H152 O24 P8 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0543","0.0504","","","0.1436","0.146","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022104","12.9844","0.0015","6.202","0.0007","20.193","0.002","90","","107.142","0.002","90","","1553.9","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 O3 P -","- C16 H21 O3 P -","- C64 H84 O12 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.1119","0.0946","","","0.188","0.1952","","","","","","1.339","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022105","15.891","0.0017","10.2219","0.0011","12.2745","0.0013","90","","94.318","0.002","90","","1988.2","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 O3 P -","- C21 H23 O3 P -","- C84 H92 O12 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0755","0.0554","","","0.1198","0.1335","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022106","11.123","0.003","14.73","0.004","27.784","0.007","90","","90","","90","","4552.2","1.9","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N2 O7 P -","- C22 H23 N2 O7 P -","- C176 H184 N16 O56 P8 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.1202","0.0866","","","0.1879","0.2064","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022107","7.5521","0.0005","17.6566","0.001","10.9664","0.0007","90","","104.745","0.001","90","","1414.15","0.15","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 O3 P -","- C14 H19 O3 P -","- C56 H76 O12 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0531","0.0478","","","0.1188","0.1228","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022108","14.5201","0.0018","9.4279","0.0012","11.1618","0.0014","90","","111.105","0.002","90","","1425.5","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 O4 P -","- C14 H17 O4 P -","- C56 H68 O16 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0979","0.056","","","0.1367","0.1524","","","","","","0.937","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022109","11.811","0.003","6.0445","0.0014","20.369","0.005","90","","90","","90","","1454.1","0.6","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H19 O4 P -","- C15 H19 O4 P -","- C60 H76 O16 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.043","0.0398","","","0.0919","0.0936","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022110","8.253","0.003","9.57","0.003","18.751","0.006","90","","90","","90","","1481.1","0.9","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 O4 P -","- C15 H19 O4 P -","- C60 H76 O16 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0497","0.0424","","","0.0904","0.0933","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022111","11.5766","0.0014","14.5541","0.0018","10.524","0.0013","90","","113.582","0.002","90","","1625.1","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 O4 P -","- C16 H21 O4 P -","- C64 H84 O16 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0546","0.0446","","","0.1116","0.118","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022112","10.915","0.012","11.603","0.003","12.983","0.002","67.054","0.017","68.05","0.04","64.62","0.04","1325.1","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H32 O2 -","- C34 H32 O2 -","- C68 H64 O4 -","2","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.1229","0.0522","","","0.0983","0.122","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022113","36.09","0.004","5.9889","0.0006","13.4654","0.0015","90","","93.935","0.002","90","","2903.6","0.5","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 O5 P -","- C15 H17 O5 P -","- C120 H136 O40 P8 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0833","0.0545","","","0.1132","0.1237","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022114","25.252","0.002","6.2471","0.0005","10.3606","0.0009","90","","90","","90","","1634.4","0.2","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H21 O5 P -","- C17 H21 O5 P -","- C68 H84 O20 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0786","0.0529","","","0.0751","0.081","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022115","8.4723","0.0018","16.42","0.004","17.215","0.004","90","","90","","90","","2394.8","0.9","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.2278","0.0695","","","0.0953","0.1311","","","","","","0.938","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022116","15.994","0.005","5.1441","0.0016","14.52","0.005","90","","102.455","0.005","90","","1166.5","0.6","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.1214","0.066","","","0.19","0.2185","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022117","7.5109","0.0006","14.3359","0.0012","16.367","0.0014","90","","96.377","0.002","90","","1751.4","0.3","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","1","","Joshua Gergely; Jeremy B. Morgan; Larry E. Overman","Stereocontrolled Synthesis of Functionalized cis-Cyclopentapyrazolidines by 1,3-Dipolar Cycloaddition Reactions of Azomethine Imines","Journal of Organic Chemistry","2006","71","","9144","9152","10.1021/jo061537j","","","0.71073","MoKα","","0.0411","0.0344","","","0.094","0.1015","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022118","5.7638","0.0008","13.105","0.0018","13.6732","0.0019","111.439","0.002","97.422","0.002","91.257","0.002","950.6","0.2","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C38 H48 N4 O12 -","2","1","","Joshua Gergely; Jeremy B. Morgan; Larry E. Overman","Stereocontrolled Synthesis of Functionalized cis-Cyclopentapyrazolidines by 1,3-Dipolar Cycloaddition Reactions of Azomethine Imines","Journal of Organic Chemistry","2006","71","","9144","9152","10.1021/jo061537j","","","0.71073","MoKα","","0.0872","0.0712","","","0.1945","0.2102","","","","","","1.044","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022119","9.877","0.002","9.473","0.002","15.877","0.004","90","","90.741","0.004","90","","1485.5","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C52 H76 N12 O16 S4 -","4","2","","Joshua Gergely; Jeremy B. Morgan; Larry E. Overman","Stereocontrolled Synthesis of Functionalized cis-Cyclopentapyrazolidines by 1,3-Dipolar Cycloaddition Reactions of Azomethine Imines","Journal of Organic Chemistry","2006","71","","9144","9152","10.1021/jo061537j","","","0.71073","MoKα","","0.0503","0.0452","","","0.1164","0.1198","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022120","10.5061","0.001","10.8749","0.0011","13.0039","0.0013","107.192","0.002","102.821","0.002","100.207","0.002","1336.1","0.2","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N3 O7 S -","- C27 H29 N3 O7 S -","- C54 H58 N6 O14 S2 -","2","1","","Joshua Gergely; Jeremy B. Morgan; Larry E. Overman","Stereocontrolled Synthesis of Functionalized cis-Cyclopentapyrazolidines by 1,3-Dipolar Cycloaddition Reactions of Azomethine Imines","Journal of Organic Chemistry","2006","71","","9144","9152","10.1021/jo061537j","","","0.71073","MoKα","","0.0555","0.0387","","","0.0895","0.0992","","","","","","1.006","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022121","34.775","0.001","34.775","0.001","31.201","0.001","90","","90","","120","","32676.3","1.7","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C156 H174 Br6 N12 O24 -","- C156 H129 Br6 N12 O24 -","- C936 H774 Br36 N72 O144 -","6","1","","Ho Yong Lee; Dohyun Moon; Myoung Soo Lah; Jong-In Hong","Triangular Assembly Through Charged Hydrogen Bonds in Polar Solvent","Journal of Organic Chemistry","2006","71","","9225","9228","10.1021/jo061543f","","","0.82657","synchrotron","","0.1174","0.0778","","","0.2136","0.2354","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022122","8.8729","0.0011","19.734","0.002","21.236","0.003","90","","92.613","0.002","90","","3714.5","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br N O2 -","- C20 H20 Br N O2 -","- C160 H160 Br8 N8 O16 -","8","2","","Fides Benfatti; Giuliana Cardillo; Luca Gentilucci; Rossana Perciaccante; Alessandra Tolomelli; Alberico Catapano","Synthesis and Biological Evaluation of Azido- and Aziridino-hydroxyl-β-lactams through Stereo- and Regioselective Epoxide Ring Opening","Journal of Organic Chemistry","2006","71","","9229","9232","10.1021/jo0615652","","","0.71073","MoKα","","0.0906","0.0474","","","0.126","0.1657","","","","","","0.769","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022123","7.8188","0.0008","19.673","0.002","33.422","0.004","90","","90","","90","","5141","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Br N4 O3 -","- C27 H27 Br N4 O3 -","- C216 H216 Br8 N32 O24 -","8","2","","Saumen Hajra; Manishabrata Bhowmick; Debarshi Sinha","Highly Regio- and Stereoselective Asymmetric Bromoazidation of Chiral α,β-Unsaturated Carboxylic Acid Derivatives: Scope and Limitations","Journal of Organic Chemistry","2006","71","","9237","9240","10.1021/jo061593k","","","0.71073","MoKα","","0.1378","0.0479","","","0.1076","0.1322","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022124","9.3549","0.001","15.5649","0.0017","11.744","0.0013","90","","112.69","0.002","90","","1577.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Wang-Ge Shou; Yun-Yun Yang; Yan-Guang Wang","Cascade Approach to Substituted 6-Aryl-phenanthridines from Aromatic Aldehydes, Anilines, and Benzenediazonium-2-carboxylate","Journal of Organic Chemistry","2006","71","","9241","9243","10.1021/jo061648i","","","0.71073","MoKα","","0.064","0.0431","","","0.1024","0.1091","","","","","","0.868","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022125","12.4196","0.0003","11.3876","0.0003","16.0345","0.0004","90","","96.559","0.001","90","","2252.91","0.1","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 I N5 O4 -","- C21 H24 I N5 O4 -","- C84 H96 I4 N20 O16 -","4","1","","Mikkel F. Jacobsen; Martin M. Knudsen; Kurt V. Gothelf","Efficient N-Arylation and N-Alkenylation of the Five DNA/RNA Nucleobases","Journal of Organic Chemistry","2006","71","","9183","9190","10.1021/jo061694i","","x-ray","0.71073","MoKα","","0.034","0.0257","","","0.0603","0.0631","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022126","8.8227","0.0009","11.4224","0.0008","12.8723","0.0013","105.919","0.003","94.997","0.003","107.106","0.004","1172.26","0.19","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C22 H25 Cl F N5 O4 -","- C22 H25 Cl F N5 O4 -","- C44 H50 Cl2 F2 N10 O8 -","2","1","","Mikkel F. Jacobsen; Martin M. Knudsen; Kurt V. Gothelf","Efficient N-Arylation and N-Alkenylation of the Five DNA/RNA Nucleobases","Journal of Organic Chemistry","2006","71","","9183","9190","10.1021/jo061694i","","x-ray","0.71073","MoKα","","0.0968","0.0425","","","0.0577","0.0665","","","","","","0.757","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022127","16.219","0.004","5.434","0.002","16.399","0.005","90","","77.96","0.01","90","","1413.7","0.7","173.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Naoki Kise","Density Functional Theory Study of Electroreductive Hydrocoupling of α,β-Unsaturated Carbonyl Compounds","Journal of Organic Chemistry","2006","71","","9203","9207","10.1021/jo061708k","","","0.7107","MoKα","","","0.045","","","","0.091","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022128","9.8452","0.0011","24.338","0.003","12.7573","0.0014","90","","90.164","0.003","90","","3056.8","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H40 Br2 Mn N4 -","- C30 H40 Br2 Mn N4 -","- C120 H160 Br8 Mn4 N16 -","4","2","","Xavier Sala; Anna M. Rodríguez; Montserrat Rodríguez; Isabel Romero; Teodor Parella; Alexander von Zelewsky; Antoni Llobet; Jordi Benet-Buchholz","New Synthetic Routes toward Enantiopure Nitrogen Donor Ligands","Journal of Organic Chemistry","2006","71","","9283","9290","10.1021/jo0612372","","","0.71073","MoKα","","0.0548","0.0484","","","0.1197","0.1239","","","","","","1.044","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022129","28.4738","0.0017","49.755","0.003","9.3187","0.0006","90","","90","","90","","13202","1.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H38 N2 O4 S2 -","- C38 H39 N2 O4 S2 -","- C608 H624 N32 O64 S32 -","16","1","","Sang Ick Lee; Soo Min Kim; Mi Ra Choi; Sun Young Kim; Young Keun Chung; Won-Sik Han; Sang Ook Kang","Au(I)-Catalyzed Cyclization of Enynes Bearing an Olefinic Cycle","Journal of Organic Chemistry","2006","71","","9366","9372","10.1021/jo061254r","","","0.71073","MoKα","","0.0994","0.0503","","","0.1077","0.1304","","","","","","1.008","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022130","13.5935","0.0004","9.6906","0.0006","19.9797","0.0012","90","","97.708","0.003","90","","2608.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O4 S2 -","- C27 H30 N2 O4 S2 -","- C108 H120 N8 O16 S8 -","4","1","","Sang Ick Lee; Soo Min Kim; Mi Ra Choi; Sun Young Kim; Young Keun Chung; Won-Sik Han; Sang Ook Kang","Au(I)-Catalyzed Cyclization of Enynes Bearing an Olefinic Cycle","Journal of Organic Chemistry","2006","71","","9366","9372","10.1021/jo061254r","","","0.71073","MoKα","","0.1211","0.0658","","","0.1686","0.2152","","","","","","1.142","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022131","8.3084","0.0002","9.5793","0.0002","35.8757","0.001","90","","90","","90","","2855.3","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 N2 O9 -","- C28 H38 N2 O9 -","- C112 H152 N8 O36 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0471","0.032","","","0.0653","0.0828","","","","","","1.176","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022132","6.084","0.0011","12.859","0.004","14.354","0.004","72.851","0.01","89.224","0.01","77.7","0.01","1047","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H30 N2 O2 -","- C24 H30 N2 O2 -","- C48 H60 N4 O4 -","2","2","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0841","0.0521","","","0.105","0.1178","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022133","10.1031","0.0007","11.3618","0.0007","40.919","0.004","90","","90","","90","","4697.1","0.6","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C20 H38 N2 O4 -","- C20 H38 N2 O4 -","- C160 H304 N16 O32 -","8","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.219","0.0751","","","0.1474","0.2073","","","","","","1","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022134","17.8512","0.001","31.8301","0.001","20.5872","0.001","90","","108.161","0.005","90","","11115","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99 H127 Cl11 N8 Ni4 O17 -","- C99 H111 Cl11 N8 Ni4 O17 -","- C396 H444 Cl44 N32 Ni16 O68 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.1459","0.0768","","","0.2244","0.2625","","","","","","1.019","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022135","9.6765","0.0003","10.3148","0.0005","12.63","0.0005","74.201","0.001","83.154","0.001","75.354","0.001","1171.86","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C52 H68 N4 O8 -","2","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.1067","0.0478","","","0.0831","0.0983","","","","","","0.944","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022136","7.9954","0.0003","10.9216","0.0003","14.4612","0.0009","90","","90","","90","","1262.79","0.1","295","2","295","2","","","","","","","","4","P 21 a b","P -2b 2a","29","","","","- C11 H24 N2 O3 -","- C11 H24 N2 O3 -","- C44 H96 N8 O12 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0638","0.0399","","","0.0838","0.0927","","","","","","0.991","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022137","9.9162","0.0003","10.3086","0.0003","24.762","0.001","90","","90","","90","","2531.22","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N2 O4 S2 -","- C24 H34 N2 O4 S2 -","- C96 H136 N8 O16 S8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0818","0.0451","","","0.0732","0.0817","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022138","6.0048","0.0003","14.5084","0.001","25.355","0.002","90","","90","","90","","2209","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 N2 O2 -","- C24 H28 Cl2 N2 O2 -","- C96 H112 Cl8 N8 O8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0905","0.0495","","","0.0877","0.0992","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022139","9.9193","0.0002","10.3077","0.0002","24.8012","0.0008","90","","90","","90","","2535.8","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N2 O4 S2 -","- C24 H34 N2 O4 S2 -","- C96 H136 N8 O16 S8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0656","0.043","","","0.0807","0.0872","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022140","8.405","0.0002","29.088","0.001","10.4372","0.0004","90","","104.443","0.001","90","","2471.09","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N2 O4 S2 -","- C24 H34 N2 O4 S2 -","- C96 H136 N8 O16 S8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.1357","0.0549","","","0.09","0.1081","","","","","","0.959","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022141","9.8","0.001","28.333","0.001","12.161","0.001","90","","98.82","0.01","90","","3336.7","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N2 O4 -","- C40 H42 N2 O4 -","- C160 H168 N8 O16 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.2167","0.0722","","","0.1319","0.1786","","","","","","1.001","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022142","30.002","0.002","7.3588","0.0004","6.2049","0.0004","90","","90.467","0.002","90","","1369.88","0.14","298","","","","","","","","","","Lahti Group","4","C 1 c 1","C -2yc","9","","1-(4-methoxyphenylaminoxyl)-4-(1H-pyrrol-1-yl)-benzene","","- C17 H15 N2 O2 -","- C17 H15 N2 O2 -","- C68 H60 N8 O8 -","4","1","","Zeynep Delen; Paul M. Lahti","Crystallography and Magnetism of Two 1-(4-Nitroxylphenyl)pyrroles","Journal of Organic Chemistry","2006","71","","9341","9347","10.1021/jo0616299","","","0.71073","MoKα","","0.0766","0.0608","","","0.1029","0.1089","","","","","","1.279","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022143","27.3232","0.0012","5.8054","0.0002","7.9936","0.0003","90","","90","","90","","1267.96","0.09","298","","","","","","","","","","zd3090","4","P n a 21","P 2c -2n","33","","","","- C14 H17 N2 O -","- C14 H17 N2 O -","- C56 H68 N8 O4 -","4","1","","Zeynep Delen; Paul M. Lahti","Crystallography and Magnetism of Two 1-(4-Nitroxylphenyl)pyrroles","Journal of Organic Chemistry","2006","71","","9341","9347","10.1021/jo0616299","","","0.71073","MoKα","","0.0613","0.0422","","","0.1022","0.114","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022144","8.134","0.006","9.116","0.008","12.165","0.011","95.2","0.08","106.5","0.05","113.31","0.08","772.9","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 K O8 -","- C30 H48 K O8 -","- C30 H48 K O8 -","1","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.2108","0.0625","","","0.0752","0.1048","","","","","","0.698","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022145","10.888","0.008","17.464","0.008","20.84","0.01","90","","99.63","0.06","90","","3907","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Crypt K] Naph * THF","","","- C36 H60 K N2 O8 -","- C36 H60 K N2 O8 -","- C144 H240 K4 N8 O32 -","4","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0862","0.0611","","","0.1901","0.2049","","","","","","0.997","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022146","6.7195","0.0013","6.808","0.0013","12.299","0.002","82.22","0.003","81.35","0.004","68.61","0.003","515.92","0.17","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C14 H16 -","- C14 H16 -","- C28 H32 -","2","1","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0541","0.0491","","","0.1438","0.1509","","","","","","1.056","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4022147","12.463","0.002","12.8","0.002","13.228","0.003","61.431","0.003","73.013","0.003","87.878","0.003","1759.2","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H56 K O8 -","- C34 H56 K O8 -","- C68 H112 K2 O16 -","2","1","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.1488","0.0585","","","0.1166","0.1412","","","","","","0.836","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022148","11.5437","0.0016","12.6746","0.0017","14.955","0.002","104.157","0.002","92.621","0.002","116.839","0.002","1862","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H60 K N2 O7 -","- C36 H60 K N2 O7 -","- C72 H120 K2 N4 O14 -","2","1","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0732","0.0494","","","0.1163","0.1251","","","","","","0.936","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022149","6.7725","0.0003","9.8657","0.0005","10.2475","0.0005","85.979","0.001","73.065","0.001","72.593","0.001","624.9","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 Cl6 Sb -","- C24 H24 Cl6 Sb -","- C24 H24 Cl6 Sb -","1","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0355","0.0308","","","0.0763","0.0782","","","","","","1.034","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022150","11.155","0.018","7.505","0.013","16.57","0.04","90","","90","","90","","1387","5","173","2","173","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C18 H24 -","- C18 H24 -","- C72 H96 -","4","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0802","0.0546","","","0.1415","0.153","","","","","","0.942","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022151","9.019","0.006","9.227","0.007","9.623","0.007","76.18","0.09","86.32","0.06","68.6","0.08","723.8","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","OMN-SbCl6, DCM solvate","Octamethylnaphtalenium hexachloroantimonate, dichloromethane solvate","","- C20 H28 Cl10 Sb -","- C20 H28 Cl10 Sb -","- C20 H28 Cl10 Sb -","1","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0299","0.0282","","","0.0758","0.0769","","","","","","0.996","","","","has coordinates,has disorder","277840","2022-09-14","18:34:00",""
"4022153","22.841","0.006","12.651","0.003","21.765","0.009","90","","109.32","0.03","90","","5935","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","18-Crown-6-bis(tetrahydrofurano)potassium 1,2,3,4,7,8,9,10-octahydro-1,1,4,4,7,7,10,10-octamethyltetracene tetrahydrofuran solvate","","- C58 H100 K O11 -","- C58 H100 K O11 -","- C232 H400 K4 O44 -","4","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.1791","0.0707","","","0.1821","0.2176","","","","","","0.859","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022154","10.6938","0.0011","10.9607","0.0011","18.72","0.0018","90","","103.551","0.002","90","","2133.1","0.4","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H66 Li2 -","- C50 H66 Li2 -","- C100 H132 Li4 -","2","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.1562","0.0702","","","0.1558","0.194","","","","","","1.005","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022155","12.6202","0.0019","19.053","0.003","21.386","0.003","109.816","0.003","93.923","0.003","98.228","0.003","4750.3","1.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H147 Cs3 O6 -","- C99 H147 Cs3 O6 -","- C198 H294 Cs6 O12 -","2","1","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.1678","0.0845","","","0.1965","0.2378","","","","","","1.042","","","","has coordinates,has disorder","277840","2022-09-14","18:34:00",""
"4022156","12.903","0.0004","10.468","0.0003","11.7384","0.0004","90","","112.684","0.001","90","","1462.84","0.08","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 -","- C18 H18 N4 -","- C72 H72 N16 -","4","1","","Takashi Mino; Yoshiaki Shirae; Takeshi Saito; Masami Sakamoto; Tsutomu Fujita","Palladium-Catalyzed Sonogashira and Hiyama Reactions Using Phosphine-Free Hydrazone Ligands","Journal of Organic Chemistry","2006","71","","9499","9502","10.1021/jo061734i","","","0.71073","MoKα","","0.0755","0.0513","","","0.1476","0.1686","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022157","17.3448","0.0002","22.291","0.0003","25.7311","0.0002","90","","92.7173","0.0008","90","","9937.3","0.19","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.375 H68.75 Cl0.75 I2 P4 Pt2 -","- C42.375 H68.75 Cl0.75 I2 P4 Pt2 -","- C339 H550 Cl6 I16 P32 Pt16 -","8","2","","Hai-Bo Yang; Koushik Ghosh; Atta M. Arif; Peter J. Stang","The Synthesis of New 60° Organometallic Subunits and Self-Assembly of Three-Dimensional M~3~L~2~ Trigonal-Bipyramidal Cages","Journal of Organic Chemistry","2006","71","","9464","9469","10.1021/jo061779j","","","0.71073","MoKα","","0.1191","0.0599","","","0.1348","0.1788","","","","","","1.034","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022158","42.007","0.0006","9.3291","0.0002","34.7621","0.0006","90","","109.387","0.0008","90","","12850.4","0.4","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59.5 H79 Cl3 I2 P4 Pt2 -","- C59.5 H79 Cl3 I2 P4 Pt2 -","- C476 H632 Cl24 I16 P32 Pt16 -","8","1","","Hai-Bo Yang; Koushik Ghosh; Atta M. Arif; Peter J. Stang","The Synthesis of New 60° Organometallic Subunits and Self-Assembly of Three-Dimensional M~3~L~2~ Trigonal-Bipyramidal Cages","Journal of Organic Chemistry","2006","71","","9464","9469","10.1021/jo061779j","","","0.71073","MoKα","","0.0872","0.0542","","","0.1286","0.1454","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022159","6.869","0.0001","25.5057","0.0004","14.813","0.0003","90","","95.628","0.001","90","","2582.71","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Br2 N4 O5 S2 -","- C24 H24 Br2 N4 O5 S2 -","- C96 H96 Br8 N16 O20 S8 -","4","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.065","0.0521","","","0.1215","0.1268","","","","","","1.148","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022160","10.6216","0.0002","13.0861","0.0003","13.6532","0.0003","90","","102.542","0.001","90","","1852.45","0.07","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br2 N3 O3 S -","- C17 H15 Br2 N3 O3 S -","- C68 H60 Br8 N12 O12 S4 -","4","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.065","0.0431","","","0.0971","0.1077","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022161","16.0467","0.0002","10.571","0.0001","22.3993","0.0002","90","","90","","90","","3799.59","0.07","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H18 Br2 N4 O5 -","- C16 H18 Br2 N4 O5 -","- C128 H144 Br16 N32 O40 -","8","2","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0375","0.0304","","","0.0665","0.0697","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022162","7.1999","0.0014","12.537","0.003","15.479","0.003","83.58","0.03","76.79","0.03","74.13","0.03","1306.7","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 Br2 N4 O8 S -","- C21 H24 Br2 N4 O8 S -","- C42 H48 Br4 N8 O16 S2 -","2","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0898","0.0479","","","0.1182","0.1401","","","","","","1.061","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022163","24.4242","0.0003","12.9575","0.0002","15.6062","0.0002","90","","103.343","0.0006","90","","4805.67","0.11","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H26 N4 O8 S -","- C22 H26 N4 O8 S -","- C176 H208 N32 O64 S8 -","8","2","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0759","0.0435","","","0.1138","0.1288","","","","","","1.046","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022164","11.1469","0.0003","14.2301","0.0004","15.9794","0.0004","82.0773","0.0017","82.9329","0.0014","74.558","0.0016","2409.94","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Br2 N5 O3 -","- C22 H20 Br2 N5 O3 -","- C88 H80 Br8 N20 O12 -","4","2","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0904","0.0561","","","0.1479","0.1672","","","","","","1.031","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022165","11.293","0.0002","13.8479","0.0003","14.1887","0.0003","90","","108.204","0.0011","90","","2107.83","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Br2 N5 O3 -","- C20 H19 Br2 N5 O3 -","- C80 H76 Br8 N20 O12 -","4","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0402","0.0304","","","0.0737","0.0785","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022166","12.0512","0.0005","12.0512","0.0005","27.0746","0.0011","90","","90","","90","","3932.1","0.3","200","2","200","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H18 Br2 N4 O5 -","- C16 H18 Br2 N4 O5 -","- C128 H144 Br16 N32 O40 -","8","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0589","0.0399","","","0.0724","0.0793","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022167","13.2373","0.0002","13.4037","0.0002","17.8325","0.0004","72.9238","0.0008","80.5396","0.0009","62.3585","0.0013","2677.84","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H26 Br2 N4 O8.5 S -","- C21.5 H26 Br2 N4 O8.5 S -","- C86 H104 Br8 N16 O34 S4 -","4","2","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0807","0.0468","","","0.0983","0.1117","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022168","11.9442","0.0017","14.568","0.002","19.621","0.003","81.692","0.003","75.114","0.003","69.745","0.003","3089.6","0.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 F2 N3 O5 -","- C35 H35 F2 N3 O5 -","- C140 H140 F8 N12 O20 -","4","2","","Alexei Ilyin; Volodymyr Kysil; Mikhail Krasavin; Irina Kurashvili; Alexandre V. Ivachtchenko","Complexity-Enhancing Acid-Promoted Rearrangement of Tricyclic Products of Tandem Ugi 4CC/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2006","71","","9544","9547","10.1021/jo061825f","","","0.71073","MoKα","","0.119","0.0551","","","0.0921","0.1045","","","","","","1.026","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022169","12.3013","0.0017","25.064","0.004","30.495","0.004","90","","90","","90","","9402","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H56 N4 O11 -","- C53 H56 N4 O11 -","- C424 H448 N32 O88 -","8","1","","Alexei Ilyin; Volodymyr Kysil; Mikhail Krasavin; Irina Kurashvili; Alexandre V. Ivachtchenko","Complexity-Enhancing Acid-Promoted Rearrangement of Tricyclic Products of Tandem Ugi 4CC/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2006","71","","9544","9547","10.1021/jo061825f","","","0.71073","MoKα","","0.2863","0.0641","","","0.0746","0.0941","","","","","","0.801","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022170","17.871","0.004","5.2129","0.0011","30.632","0.006","90","","101.33","0.003","90","","2798.1","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 B O2 -","- C16 H17 B O2 -","- C128 H136 B8 O16 -","8","1","","Neola F. McKinley; Donal F. O'Shea","Carbolithiation of Diphenylacetylene as a Stereoselective Route to (Z)-Tamoxifen and Related Tetrasubstituted Olefins","Journal of Organic Chemistry","2006","71","","9552","9555","10.1021/jo061949s","","","0.71073","MoKα","","0.0878","0.0833","","","0.1949","0.1981","","","","","","1.144","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022171","9.7869","0.0004","11.2474","0.0004","10.5714","0.0004","90","","102.571","0.002","90","","1135.78","0.08","150","2","150","2","","","","","","","synthetised","6","P 1 21 1","P 2yb","4","","(S~Fc~,S~S~,S)-2-(N-tosyl-1-aminoethyl)-1-t-butylsulfinylferrocene","","- C23 H29 Fe N O3 S2 -","- C23 H29 Fe N O3 S2 -","- C46 H58 Fe2 N2 O6 S4 -","2","1","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0581","0.0351","","","0.0849","0.1029","","","","","","1.081","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022172","11.8067","0.0004","11.8067","0.0004","19.3721","0.0007","90","","90","","90","","2700.43","0.16","150","2","150","2","","","","","","","synthetised","6","P 41","P 4w","76","","(S~Fc~,S~S~)-2-(N-tosyl-1-amino-2-cyclohexyl)-1-tert-butylsulfinylferrocene","","- C28 H37 Fe N O3 S2 -","- C28 H37 Fe N O3 S2 -","- C112 H148 Fe4 N4 O12 S8 -","4","1","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0393","0.0271","","","0.0574","0.0616","","","","","","1.035","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022173","16.2321","0.0003","17.8126","0.0004","18.5205","0.0004","90","","90","","90","","5354.94","0.19","150","2","150","2","","","","","","","synthetised","6","P 21 21 21","P 2ac 2ab","19","","(S~Fc~,S~S~)-2-(N-tosyl-1-amino-2,2-dimethylpropyl)-1-t-butylsulfinyl ferrocene","","- C26 H35 Fe N O3 S2 -","- C26 H35 Fe N O3 S2 -","- C208 H280 Fe8 N8 O24 S16 -","8","2","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0571","0.0349","","","0.0887","0.1121","","","","","","1.139","","","","has coordinates,has disorder","277840","2022-09-14","18:34:00",""
"4022174","17.7483","0.0014","19.5715","0.0016","22.6086","0.0018","90","","90","","90","","7853.3","1.1","150","2","150","2","","","","","","","synthetised","6","P 21 21 21","P 2ac 2ab","19","","(S~Fc~,S~S~,S)-2-(N-carbamoyl-1-amino-1-phenyl)-1-t-butylsulfinylferrocene","","- C26 H33 Fe N O3 S -","- C26 H33 Fe N O3 S -","- C312 H396 Fe12 N12 O36 S12 -","12","3","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0496","0.032","","","0.0717","0.0855","","","","","","1.08","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022175","21.979","0.002","22.02","0.002","26.603","0.003","107.85","0.01","94.8","0.01","119.6","0.01","10217.2","1.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5,11,17,23,29,35-hexa-tert-butyl-37,39,41- tris{4-(2-pyridyl)phenoxy}-38,40,42-trimethoxycalix[6]arene","","- C111.75 H134.5 Cl5.5 N3 O8 -","- C110.125 H131 Cl5.25 N3 O7.5 -","- C440.5 H524 Cl21 N12 O30 -","4","2","","Xianshun Zeng; Andrei S. Batsanov; Martin R. Bryce","Calix[6]arene Derivatives Selectively Functionalized at Alternate Sites on the Smaller Rim with 2-Phenylpyridine and 2-Fluorenylpyridine Substituents to Provide Deep Cavities","Journal of Organic Chemistry","2006","71","","9589","9594","10.1021/jo0614341","","","0.71073","MoKα","","0.187","0.1029","","","0.2869","0.3302","","","","","","1.033","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022176","10.775","0.003","6.0652","0.0019","28.906","0.009","90","","99.145","0.006","90","","1865","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Br O3 Se -","- C19 H17 Br O3 Se -","- C76 H68 Br4 O12 Se4 -","4","1","","Guofei Chen; Chunling Fu; Shengming Ma","Electrophilic Interaction of 2,3-Allenoates with PhSeCl. An Unexpected Highly Stereoselective Synthesis of 3-Phenylseleno-4-oxo-2(E)-alkenoates","Journal of Organic Chemistry","2006","71","","9877","9879","10.1021/jo061680c","","","0.71073","MoKα","","0.1433","0.0548","","","0.1186","0.1364","","","","","","0.742","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022177","7.2861","0.0005","11.8334","0.0008","11.921","0.0008","77.142","0.001","81.955","0.001","73.952","0.001","959.62","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N2 O6 W -","- C20 H12 N2 O6 W -","- C40 H24 N4 O12 W2 -","2","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0674","0.0646","","","0.1609","0.1631","","","","","","1.021","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022178","8.2698","0.0008","14.1014","0.0014","14.9278","0.0014","90","","90","","90","","1740.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 Cr N2 O6 -","- C18 H10 Cr N2 O6 -","- C72 H40 Cr4 N8 O24 -","4","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0643","0.0442","","","0.0829","0.0886","","","","","","0.841","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022179","7.4595","0.001","11.6192","0.0016","23.142","0.003","90","","90","","90","","2005.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 N2 O6 W -","- C21 H14 N2 O6 W -","- C84 H56 N8 O24 W4 -","4","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0632","0.0489","","","0.1032","0.1082","","","","","","0.936","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022180","9.1287","0.0015","9.5708","0.0015","10.035","0.0016","93.09","0.003","92.832","0.003","97.417","0.003","866.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Cr N2 O6 -","- C18 H10 Cr N2 O6 -","- C36 H20 Cr2 N4 O12 -","2","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0603","0.045","","","0.0921","0.0981","","","","","","0.934","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022181","8.1744","0.001","11.2178","0.0013","12.2979","0.0015","89.906","0.002","75.338","0.002","86.599","0.002","1089","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","2","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0813","0.0474","","","0.0961","0.1088","","","","","","0.883","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022182","9.1659","0.0016","7.0239","0.0013","17.433","0.003","90","","103.287","0.003","90","","1092.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0804","0.0442","","","0.1023","0.1194","","","","","","0.903","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022183","3.926","0.002","12.465","0.007","14.678","0.008","107.643","0.009","94.523","0.012","92.228","0.01","681","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C36 H24 N4 O4 -","2","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.1366","0.0559","","","0.1176","0.1399","","","","","","0.84","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022184","33.917","0.004","8.8453","0.0011","20.024","0.002","90","","94.749","0.004","90","","5986.6","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H58 F8 N4 O5 Zn -","- C68 H26 F8 N4 O5 Zn -","- C272 H104 F32 N16 O20 Zn4 -","4","0.5","","Chao Liu; Dong-Mei Shen; Zhuo Zeng; Can-Cheng Guo; Qing-Yun Chen","C-F Bond Activation by Modified Sulfinatodehalogenation: Facile Synthesis and Properties of Novel Tetrafluorobenzoporphyrins by Direct Intramolecular Cyclization and Reductive Defluorinative Aromatization of Readily Available β-Perfluoroalkylated Porphyrins","Journal of Organic Chemistry","2006","71","","9772","9783","10.1021/jo061743r","","","0.71073","MoKα","","0.0908","0.0684","","","0.1882","0.2","","","","","","0.977","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022185","14.1116","0.0014","17.7254","0.0017","14.209","0.0015","90","","117.54","0.002","90","","3151.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C69 H38 Cl2 F16 N4 O2 Zn -","- C69 H38 Cl2 F16 N4 O2 Zn -","- C138 H76 Cl4 F32 N8 O4 Zn2 -","2","0.5","","Chao Liu; Dong-Mei Shen; Zhuo Zeng; Can-Cheng Guo; Qing-Yun Chen","C-F Bond Activation by Modified Sulfinatodehalogenation: Facile Synthesis and Properties of Novel Tetrafluorobenzoporphyrins by Direct Intramolecular Cyclization and Reductive Defluorinative Aromatization of Readily Available β-Perfluoroalkylated Porphyrins","Journal of Organic Chemistry","2006","71","","9772","9783","10.1021/jo061743r","","","0.71073","MoKα","","0.1268","0.0832","","","0.2445","0.2722","","","","","","1.006","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022186","18.1909","0.0009","19.4186","0.0016","22.3881","0.0016","100.282","0.004","111.204","0.004","108.068","0.004","6621.8","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C69 H98 O15 -","- C69 H98 O15 -","- C276 H392 O60 -","4","2","","Bernardo Masci; Daniela Persiani; Pierre Thuéry","Complexation of Quaternary Ammonium Ions by Tetraester Derivatives of [3.1.3.1]Homooxacalixarene in Mobile and in Fixed Conformation","Journal of Organic Chemistry","2006","71","","9784","9790","10.1021/jo0617621","","","0.71073","MoKα","","0.1538","0.0797","","","0.2018","0.2332","","","","","","0.994","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022187","13.7593","0.0008","13.9522","0.0011","20.5857","0.0016","83.983","0.003","89.968","0.004","63.167","0.004","3502.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C73 H106 O15 -","- C73 H106 O15 -","- C146 H212 O30 -","2","1","","Bernardo Masci; Daniela Persiani; Pierre Thuéry","Complexation of Quaternary Ammonium Ions by Tetraester Derivatives of [3.1.3.1]Homooxacalixarene in Mobile and in Fixed Conformation","Journal of Organic Chemistry","2006","71","","9784","9790","10.1021/jo0617621","","","0.71073","MoKα","","0.1374","0.0817","","","0.1893","0.2273","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022188","5.241","0.004","7.604","0.006","24.455","0.018","90","","95.713","0.013","90","","969.8","1.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C36 H52 N4 O16 -","4","1","","Ahmad Basheer; Zvi Rappoport","Substituted 2-Methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and Substituted Imidazopyrimidinediones from Cl(CH~2~)~n~NCO and Cl(CH~2~)~n~NCS and Active Methylene Compound","Journal of Organic Chemistry","2006","71","","9743","9750","10.1021/jo061835g","","","0.71073","MoKα","","0.214","0.1329","","","0.4277","0.4489","","","","","","1.329","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022189","15.1567","0.001","5.702","0.0004","17.05","0.0011","90","","101.526","0.001","90","","1443.81","0.17","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F9 N O4 S -","- C10 H8 F9 N O4 S -","- C40 H32 F36 N4 O16 S4 -","4","1","","Ahmad Basheer; Zvi Rappoport","Substituted 2-Methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and Substituted Imidazopyrimidinediones from Cl(CH~2~)~n~NCO and Cl(CH~2~)~n~NCS and Active Methylene Compound","Journal of Organic Chemistry","2006","71","","9743","9750","10.1021/jo061835g","","","0.71073","MoKα","","0.1287","0.0608","","","0.1606","0.1846","","","","","","0.864","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022190","4.9308","0.0004","9.6974","0.0009","13.0845","0.0012","69.191","0.001","84.771","0.002","87.873","0.002","582.4","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cl N4 O3 -","- C10 H13 Cl N4 O3 -","- C20 H26 Cl2 N8 O6 -","2","1","","Ahmad Basheer; Zvi Rappoport","Substituted 2-Methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and Substituted Imidazopyrimidinediones from Cl(CH~2~)~n~NCO and Cl(CH~2~)~n~NCS and Active Methylene Compound","Journal of Organic Chemistry","2006","71","","9743","9750","10.1021/jo061835g","","","0.71073","MoKα","","0.0705","0.0585","","","0.1552","0.1652","","","","","","1.024","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022191","8.8685","0.0003","9.8291","0.0003","13.5654","0.0005","97.767","0.001","107.642","0.001","101.452","0.001","1080.02","0.06","180","1","180","1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H26 O6 -","- C25 H26 O6 -","- C50 H52 O12 -","2","1","","Eric Fillion; Aaron M. Dumas; Sylvia A. Hogg","Modular Synthesis of Tetrahydrofluorenones from 5-Alkylidene Meldrum's Acids","Journal of Organic Chemistry","2006","71","","9899","9902","10.1021/jo0618876","","","0.71073","MoKα","","0.0476","0.0424","","","0.0987","0.0997","","","","","","1.983","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022192","10.2853","0.0006","12.4634","0.0007","25.1743","0.0014","90","","90","","90","","3227.1","0.3","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O7 S2 -","- C25 H37 N O7 S2 -","- C100 H148 N4 O28 S8 -","4","1","","Stephen Hanessian; Dougal J. Ritson","Structure-Based Organic Synthesis of a Tricyclic N-Malayamycin Analogue","Journal of Organic Chemistry","2006","71","","9807","9817","10.1021/jo061904r","","","1.54178","CuKα","","0.0674","0.0635","","","0.1627","0.1727","","","","","","1.036","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022193","7.0629","0.0003","13.3419","0.0005","31.0227","0.0011","90","","90","","90","","2923.3","0.2","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 N4 O9 S -","- C25 H38 N4 O9 S -","- C100 H152 N16 O36 S4 -","4","1","","Stephen Hanessian; Dougal J. Ritson","Structure-Based Organic Synthesis of a Tricyclic N-Malayamycin Analogue","Journal of Organic Chemistry","2006","71","","9807","9817","10.1021/jo061904r","","","1.54178","CuKα","","0.0545","0.0459","","","0.1198","0.1276","","","","","","1.05","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022194","10.3388","0.0014","5.1216","0.0014","15.23","0.004","90","","94.85","0.02","90","","803.6","0.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C13 H20 N4 O8 -","- C13 H18 N4 O8 -","- C26 H36 N8 O16 -","2","1","","Stephen Hanessian; Dougal J. Ritson","Structure-Based Organic Synthesis of a Tricyclic N-Malayamycin Analogue","Journal of Organic Chemistry","2006","71","","9807","9817","10.1021/jo061904r","","","1.54178","CuKα","","0.0721","0.0617","","","0.1752","0.1848","","","","","","1.072","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022195","7.3016","0.001","8.4264","0.0012","30.356","0.004","90","","90","","90","","1867.7","0.5","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-Dibromodihydroarnottin II","","","- C20 H14 Br2 O7 -","- C20 H14 Br2 O7 -","- C80 H56 Br8 O28 -","4","1","","Fujiko Konno; Tsutomu Ishikawa; Masatoshi Kawahata; Kentaro Yamaguchi","Concise Synthesis of Arnottin I and (-)-Arnottin II","Journal of Organic Chemistry","2006","71","","9818","9823","10.1021/jo061905j","","","0.71073","MoKα","","0.0693","0.0551","","","0.1428","0.1547","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022196","8.49","0.005","11.316","0.005","30.145","0.017","90","","90","","90","","2896","3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 F3 O3 -","- C13 H19 F3 O3 -","- C104 H152 F24 O24 -","8","2","","Simon Doherty; Julian G. Knight; Catherine H. Smyth; Ross W. Harrington; William Clegg","Asymmetric Platinum Group Metal-Catalyzed Carbonyl-Ene Reactions: Carbon-Carbon Bond Formation versus Isomerization","Journal of Organic Chemistry","2006","71","","9751","9764","10.1021/jo062023n","","","0.71073","MoKα","","0.0798","0.0605","","","0.1345","0.1452","","","","","","1.147","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022197","12.8271","0.0018","6.678","0.0007","15.6221","0.0018","90","","113.549","0.008","90","","1226.7","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H28 Cl2 F3 N O3 -","- C23 H28 Cl2 F3 N O3 -","- C46 H56 Cl4 F6 N2 O6 -","2","1","","Simon Doherty; Julian G. Knight; Catherine H. Smyth; Ross W. Harrington; William Clegg","Asymmetric Platinum Group Metal-Catalyzed Carbonyl-Ene Reactions: Carbon-Carbon Bond Formation versus Isomerization","Journal of Organic Chemistry","2006","71","","9751","9764","10.1021/jo062023n","","","0.71073","MoKα","","0.063","0.048","","","0.1138","0.1212","","","","","","1.101","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022198","12.7643","0.0015","14.9692","0.0017","22.258","0.003","90","","90","","90","","4253","0.8","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 Cl6 P2 Pt -","- C46 H36 Cl6 P2 Pt -","- C184 H144 Cl24 P8 Pt4 -","4","1","","Simon Doherty; Julian G. Knight; Catherine H. Smyth; Ross W. Harrington; William Clegg","Asymmetric Platinum Group Metal-Catalyzed Carbonyl-Ene Reactions: Carbon-Carbon Bond Formation versus Isomerization","Journal of Organic Chemistry","2006","71","","9751","9764","10.1021/jo062023n","","","0.71073","MoKα","","0.0317","0.0267","","","0.054","0.0555","","","","","","1.103","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4029654","9.935","0.009","10.275","0.009","13.397","0.012","101.548","0.016","93.919","0.018","92.219","0.017","1335","2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 N4 O2 S -","- C27 H36 N4 O2 S -","- C54 H72 N8 O4 S2 -","2","1","","Ilyn, Alexey P.; Loseva, Marina V.; Vvedensky, Vladimir Y.; Putsykina, Elena B.; Tkachenko, Sergey E.; Kravchenko, Dmitri V.; Khvat, Alexandr V.; Krasavin, Mikhail Y.; Ivachtchenko, Alexandre V.","One-step assembly of carbamoyl-substituted heteroannelated [1,4]thiazepines.","The Journal of organic chemistry","2006","71","7","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.2527","0.0971","","","0.1596","0.2173","","","","","","0.985","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029655","14.027","0.006","14.923","0.005","22.626","0.01","90","","90","","90","","4736","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H25 N3 O3 S -","- C27 H25 N3 O3 S -","- C216 H200 N24 O24 S8 -","8","1","","Ilyn, Alexey P.; Loseva, Marina V.; Vvedensky, Vladimir Y.; Putsykina, Elena B.; Tkachenko, Sergey E.; Kravchenko, Dmitri V.; Khvat, Alexandr V.; Krasavin, Mikhail Y.; Ivachtchenko, Alexandre V.","One-step assembly of carbamoyl-substituted heteroannelated [1,4]thiazepines.","The Journal of organic chemistry","2006","71","7","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.1842","0.0544","","","0.0697","0.0855","","","","","","0.953","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4031258","5.496","","5.496","","13.346","","90","","90","","120","","349.12","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","La0.7 Pb0.3 (Mn0.9 Co0.1) O3","","- Co0.1 La0.7 Mn0.9 O3 Pb0.3 -","- Co0.1 La0.7 Mn0.9 O3 Pb0.3 -","- Co0.6 La4.2 Mn5.4 O18 Pb1.8 -","6","0.166667","","Pena, A.; Gutierrez, J.; de Muro, I.G.; Rojo, T.; Campo, J.; Barandiaran, J.M.","Correlation between structure and magnetic and magnetotransport properties of La0.7 Pb0.3 (Mn(1-x) Co(x)) O3 (0.1 <= x <= 0.3) CMR manganites","European Journal of Inorganic Chemistry","2006","2006","","3227","3235","","","","","","","","","","","","","","","","","","","","","","has coordinates","151485","2020-10-21","18:00:00",""
"4031259","5.4859","","5.4859","","13.2925","","90","","90","","120","","346.444","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","La0.7 Pb0.3 (Mn0.7 Co0.3) O3","","- Co0.3 La0.7 Mn0.7 O3 Pb0.3 -","- Co0.3 La0.7 Mn0.7 O3 Pb0.3 -","- Co1.8 La4.2 Mn4.2 O18 Pb1.8 -","6","0.166667","","Pena, A.; Gutierrez, J.; de Muro, I.G.; Campo, J.; Barandiaran, J.M.; Rojo, T.","Correlation between structure and magnetic and magnetotransport properties of La0.7 Pb0.3 (Mn(1-x) Co(x)) O3 (0.1 <= x <= 0.3) CMR Manganites","European Journal of Inorganic Chemistry","2006","2006","","3227","3235","","","","","","","","","","","","","","","","","","","","","","has coordinates","151486","2020-10-21","18:00:00",""
"4060571","11.395","0.001","11.788","0.001","14.173","0.001","87.39","0.01","72.44","0.01","87.36","0","1812.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 S2 Si4 -","- C32 H42 S2 Si4 -","- C64 H84 S4 Si8 -","2","1","","","","Organometallics","2006","","","","","10.1021/om050375z","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060572","13.452","0.004","20.239","0.004","11.85","0.004","90","","91.19","0.02","90","","3225.5","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 O4 S2 Si4 -","- C24 H38 O4 S2 Si4 -","- C96 H152 O16 S8 Si16 -","4","1","","","","Organometallics","2006","","","","","10.1021/om050375z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060573","12.7231","0.0003","24.8384","0.0004","25.065","0.0006","105.875","0.011","97.458","0.001","96.568","0.001","7460.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H93 K O9.25 Os P3 -","- C79 H88 K O9.25 Os P3 -","- C316 H352 K4 O37 Os4 P12 -","4","2","","","","Organometallics","2006","","","","","10.1021/om050391w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060574","21.9983","0.0007","13.1898","0.0006","22.8557","0.0008","90","","112.98","0.002","90","","6105.4","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68.5 H75 O0 Os P3 Sn -","- C68.5 H75 Os P3 Sn -","- C274 H300 Os4 P12 Sn4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om050391w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060575","18.1491","0.0003","8.1751","0.0001","14.3414","0.0002","90","","90","","90","","2127.84","0.05","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","?","- C48 H40 As8 Cl8 F48 N8 Ti4 -","- C48 H40 As8 Cl8 F48 N8 Ti4 -","","","","Margret-Jane Crawford; Peter Mayer; Heinrich Nöth; Max Suter","Facile Synthesis and Structural Characterization of [Cp2Ti(IV)(NCX)2][AsF6]2 Complexes with Halogen Cyanides (X = Cl, Br, I)","Organometallics","2006","25","","128","132","10.1021/om050508g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060576","17.9869","0.0019","8.3387","0.0008","14.6221","0.0015","90","","90","","90","","2193.1","0.4","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C12 H10 As2 Br2 F12 N2 Ti -","- C12 H10 As2 Br2 F12 N2 Ti -","- C48 H40 As8 Br8 F48 N8 Ti4 -","4","0.5","","Margret-Jane Crawford; Peter Mayer; Heinrich Noeth; Max Suter","Facile Synthesis and Structural Characterization of [Cp2Ti(IV)(NCX)2][AsF6]2 Complexes with Halogen Cyanides (X = Cl, Br, I)","Organometallics","2006","","","","","10.1021/om050508g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060577","9.812","0.002","21.432","0.003","13.712","0.002","90","","100.06","0.01","90","","2839.4","0.8","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Br3 P -","- C30 H36 Br3 P -","- C120 H144 Br12 P4 -","4","1","","Sasaki, Shigeru; Murakami, Fumiki; Yoshifuji, Masaaki","","Organometallics","2006","25","1","140","147","10.1021/om050522t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060578","10.764","0.001","14.461","0.002","8.748","0.001","103.961","0.009","101.889","0.009","97.284","0.009","1270.6","0.3","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 As I -","- C28 H34 As I -","- C56 H68 As2 I2 -","2","1","","Sasaki, Shigeru; Murakami, Fumiki; Yoshifuji, Masaaki","","Organometallics","2006","25","1","140","147","10.1021/om050522t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060579","9.809","0.0003","16.315","0.0005","10.891","0.0004","90","","113.947","0.0017","90","","1592.9","0.09","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H25 Cl N2 Sn -","- C14 H25 Cl N2 Sn -","- C56 H100 Cl4 N8 Sn4 -","4","0.5","","","","Organometallics","2006","","","","","10.1021/om050549c","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060580","9.432","0.0002","11.152","0.0002","17.705","0.0004","90","","99.152","0.0013","90","","1838.6","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 N2 O2 Sn -","- C16 H28 N2 O2 Sn -","- C64 H112 N8 O8 Sn4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om050549c","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060581","11.3259","0.0012","21.219","0.002","15.0905","0.0016","90","","100.147","0.002","90","","3569.9","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 B Cl3 Ir N7 O -","- C33 H38 B Cl3 Ir N7 O -","- C132 H152 B4 Cl12 Ir4 N28 O4 -","4","1","","Salazar, Verónica; Suárez-Castillo, Oscar R.; Padilla, Rosa; Macías Pulido, Juan Carlos; Méndez-Rojas, Miguel Ángel; Tamariz, Joaquín; Benavides, Adriana","Synthesis of η^4^:π^2^-Exocyclic-Diene Iridium(I) Complexes Derived from 1,3-Oxazolidin-2-ones and Their Transformation into Iridium(III) Derivatives by Reaction with a Phosphine and with Aldehydes","Organometallics","2006","25","1","172","176","10.1021/om050582z","","","0.71073","MoKα","","0.0694","0.0414","","","0.084","0.0917","","","","","","0.944","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060582","9.707","0.007","26.84","0.03","14.283","0.007","90","","107.93","0.02","90","","3540","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H45 B Ir N7 O3 -","- C35 H45 B Ir N7 O3 -","- C140 H180 B4 Ir4 N28 O12 -","4","1","","Salazar, Verónica; Suárez-Castillo, Oscar R.; Padilla, Rosa; Macías Pulido, Juan Carlos; Méndez-Rojas, Miguel Ángel; Tamariz, Joaquín; Benavides, Adriana","Synthesis of η^4^:π^2^-Exocyclic-Diene Iridium(I) Complexes Derived from 1,3-Oxazolidin-2-ones and Their Transformation into Iridium(III) Derivatives by Reaction with a Phosphine and with Aldehydes","Organometallics","2006","25","1","172","176","10.1021/om050582z","","","0.71073","MoKα","","0.0509","0.0347","","","0.0782","0.0835","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060583","9.526","0.002","13.921","0.003","20.577","0.004","90","0","102.03","0.03","90","0","2669","1","299","1","299","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Fe2 O4 Si2 -","- C28 H24 Fe2 O4 Si2 -","- C112 H96 Fe8 O16 Si8 -","4","1","","","","Organometallics","2006","","","","","10.1021/om050622z","","","","","","","0.045","","","0.06","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060584","30.52","0.007","8.022","0.004","21.531","0.006","90","","90","","90","","5271","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H32 Fe2 O4 Si2 -","- C24 H32 Fe2 O4 Si2 -","- C192 H256 Fe16 O32 Si16 -","8","1","","","","Organometallics","2006","","","","","10.1021/om050622z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060585","10.627","0.002","8.102","0.002","15.689","0.003","90","0","102.34","0.03","90","0","1320","1","299","1","299","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Fe2 O4 Si2 -","- C28 H26 Fe2 O4 Si2 -","- C56 H52 Fe4 O8 Si4 -","2","0.5","","","","Organometallics","2006","","","","","10.1021/om050622z","","","","","","","0.069","","","0.07","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060586","7.687","0.001","8.173","0.002","10.752","0.005","86.55","0.03","77.42","0.02","79.17","0.02","647.4","0.3","299","1","299","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Fe2 O4 Si2 -","- C24 H34 Fe2 O4 Si2 -","- C24 H34 Fe2 O4 Si2 -","1","0.5","","","","Organometallics","2006","","","","","10.1021/om050622z","","","","","","","0.028","","","0.035","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060587","10.477","0.007","9.756","0.006","18.071","0.011","90","","90","","90","","1847","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H15 Fe2 N O5 -","- C19 H15 Fe2 N O5 -","- C76 H60 Fe8 N4 O20 -","4","0.5","","","","Organometallics","2006","","","","","10.1021/om050684p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060588","7.093","0.009","7.925","0.01","10.999","0.013","103.839","0.019","99.014","0.019","107.913","0.019","553.3","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Fe2 N2 O4 -","- C32 H32 Fe2 N2 O4 -","- C32 H32 Fe2 N2 O4 -","1","0.5","","","","Organometallics","2006","","","","","10.1021/om050684p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060589","9.315","0.003","12.751","0.005","14.097","0.005","96.156","0.005","108.847","0.006","92.507","0.006","1570.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H31 Cl N2 O4 Ru3 -","- C32.5 H31 Cl N2 O4 Ru3 -","- C65 H62 Cl2 N4 O8 Ru6 -","2","1","","","","Organometallics","2006","","","","","10.1021/om050684p","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060590","7.786","0.003","8.564","0.003","12.065","0.004","104.075","0.005","100.816","0.005","107.401","0.005","714.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N2 O4 Ru2 -","- C32 H32 N2 O4 Ru2 -","- C32 H32 N2 O4 Ru2 -","1","0.5","","","","Organometallics","2006","","","","","10.1021/om050684p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060591","7.987","0.002","14.59","0.004","16.197","0.005","90","","90","","90","","1887.4","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Fe I N O2 -","- C19 H20 Fe I N O2 -","- C76 H80 Fe4 I4 N4 O8 -","4","1","","","","Organometallics","2006","","","","","10.1021/om050684p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060592","8.471","0.004","9.095","0.005","11.059","0.006","84.051","0.009","87.122","0.009","62.536","0.007","751.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 I N O Ru -","- C15 H16 I N O Ru -","- C30 H32 I2 N2 O2 Ru2 -","2","1","","","","Organometallics","2006","","","","","10.1021/om050684p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060593","8.649","0.003","20.801","0.005","14.594","0.003","90","","91.9","0.02","90","","2624.1","1.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Fe3 N O10 S -","- C21 H23 Fe3 N O10 S -","- C84 H92 Fe12 N4 O40 S4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om050694q","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060594","9.166","0.006","13.309","0.006","14.537","0.008","78.5","0.04","82.17","0.05","77.76","0.05","1690.1","1.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H4 Fe3 O9 S -","- C12 H4 Fe3 O9 S -","- C48 H16 Fe12 O36 S4 -","4","2","","","","Organometallics","2006","","","","","10.1021/om050694q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060595","6.7272","0.0018","6.935","0.002","15.9564","0.0017","89.434","0.002","84.29","0.001","66.166","0.002","677.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H4 Fe2 O7 S -","- C10 H4 Fe2 O7 S -","- C20 H8 Fe4 O14 S2 -","2","1","","","","Organometallics","2006","","","","","10.1021/om050694q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060596","7.165","0.002","8.389","0.002","12.369","0.001","78.36","0.04","86.65","0.04","68.12","0.03","675.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H4 Fe2 O7 S -","- C10 H4 Fe2 O7 S -","- C20 H8 Fe4 O14 S2 -","2","1","","","","Organometallics","2006","","","","","10.1021/om050694q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060597","10.105","0.002","31.158","0.007","12.71","0.006","90","","108.06","0.02","90","","3805","2","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H6 Fe3 O10 S -","- C14 H6 Fe3 O10 S -","- C112 H48 Fe24 O80 S8 -","8","2","","","","Organometallics","2006","","","","","10.1021/om050694q","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060598","67.33","0.002","14.6281","0.0005","28.5163","0.001","90","","112.798","0.001","90","","25891.7","1.6","373","2","373","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H150 O6 P6 Pd -","- C296 H310 O8 P12 Pd3 -","- C1184 H1240 O32 P48 Pd12 -","4","0.5","","","","Organometallics","2006","","","","","10.1021/om050715g","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4060599","13.285","0.002","13.854","0.002","14.562","0.002","93.985","0.002","90.19","0.003","115.726","0.002","2407","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","4CN-C6H4-CH2(SO2)Co(dpgH)2Py","","","- C53 H45 Co N6 O6 S -","- C53 H45 Co N6 O6 S -","- C106 H90 Co2 N12 O12 S2 -","2","1","","","","Organometallics","2006","","","","","10.1021/om0507171","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060600","10.9123","0.0008","16.2234","0.0012","17.2569","0.0013","101.963","0.001","90.168","0.001","91.173","0.001","2988","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","BnSO2Co(gH)2(4-tBuPy)","","","- C48 H64 Cl4 Co2 N10 O13 S2 -","- C48 H64 Cl4 Co2 N10 O13 S2 -","- C96 H128 Cl8 Co4 N20 O26 S4 -","2","1","","","","Organometallics","2006","","","","","10.1021/om0507171","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060601","10.0213","0.001","11.122","0.0011","17.4143","0.0016","89.046","0.002","76.351","0.002","67.463","0.002","1736.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Co(III)-Co(II)-Co(III)","","","- C35 H35 Co1.5 N5 O9 S -","- C35 H35 Co1.5 N5 O9 S -","- C70 H70 Co3 N10 O18 S2 -","2","1","","","","Organometallics","2006","","","","","10.1021/om0507171","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060602","8.8775","0.0008","15.4784","0.0015","14.9072","0.0014","90","","91.65","0.002","90","","2047.5","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H7 N O9 Os3 S -","- C16 H7 N O9 Os3 S -","- C64 H28 N4 O36 Os12 S4 -","4","2","","","","Organometallics","2006","","","","","10.1021/om050719l","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060603","10.6019","0.0002","21.5177","0.0004","13.4576","0.0003","90","","112.984","0.001","90","","2826.34","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Cl O Ti -","- C36 H29 Cl O Ti -","- C144 H116 Cl4 O4 Ti4 -","4","1","","Rothwell, Ian P.; Fenwick, Andrew E.; Fanwick, Phillip E.","","Organometallics","2006","","","","","10.1021/om0507272","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060604","6.8632","0.0001","11.3219","0.0001","20.228","0.0004","90","","91.895","0.001","90","","1570.95","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Mn2 O6 -","- C16 H10 Mn2 O6 -","- C64 H40 Mn8 O24 -","4","1","","O'Hare, Dermot; Jones, Simon; Roussel, Paul; Hascall, Tony","New Monoalkylated Pentalene Ligands","Organometallics","2006","","","","","10.1021/om0507326","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060605","17.4102","0.0007","6.7355","0.0002","14.2396","0.0005","90","","96.003","0.001","90","","1660.67","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Mn2 O6 -","- C17 H12 Mn2 O6 -","- C68 H48 Mn8 O24 -","4","1","","O'Hare, Dermot; Jones, Simon; Roussel, Paul; Hascall, Tony","New Monoalkylated Pentalene Ligands","Organometallics","2006","","","","","10.1021/om0507326","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060606","6.7712","0.0002","7.5109","0.0003","16.5455","0.0005","88.334","0.002","81.164","0.002","65.199","0.002","754.21","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","scj 328","","","- C15 H8 Mn2 O6 -","- C15 H8 Mn2 O6 -","- C30 H16 Mn4 O12 -","2","1","","O'Hare, Dermot; Jones, Simon; Roussel, Paul; Hascall, Tony","New Monoalkylated Pentalene Ligands","Organometallics","2006","","","","","10.1021/om0507326","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060607","6.0714","0.0002","6.8277","0.0003","12.4527","0.0005","92.143","0.002","90.633","0.002","101.523","0.002","505.36","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H7 O3 Re -","- C11 H7 O3 Re -","- C22 H14 O6 Re2 -","2","1","","O'Hare, Dermot; Jones, Simon; Roussel, Paul; Hascall, Tony","New Monoalkylated Pentalene Ligands","Organometallics","2006","","","","","10.1021/om0507326","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060608","17.067","0.0003","19.23","0.0005","23.187","0.0005","90","","90","","90","","7609.9","0.3","30","2","30","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H49 F N4 O Ru -","- C43 H48 F N4 O Ru -","- C344 H384 F8 N32 O8 Ru8 -","8","1","","","","Organometallics","2006","","","","","10.1021/om0507427","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060609","18.6201","0.0001","10.8135","0.0001","20.8519","0.0002","90","","108.758","0.001","90","","3975.49","0.06","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C44 H49 F N4 O2 Ru -","- C44 H49 F N4 O2 Ru -","- C176 H196 F4 N16 O8 Ru4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om0507427","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178495","2020-10-21","18:00:00",""
"4060610","17.067","0.0003","19.23","0.0005","23.187","0.0005","90","","90","","90","","7609.9","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H49 F N4 O Ru -","- C43 H49 F N4 O Ru -","- C344 H392 F8 N32 O8 Ru8 -","8","1","","","","Organometallics","2006","","","","","10.1021/om0507427","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060611","12.833","0.002","16.0045","0.0017","48.473","0.007","90","","90","","90","","9956","2","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bisgermacyclopropabenzenecis","","","- C84 H154 Ge2 Si12 -","- C84 H154 Ge2 Si12 -","- C336 H616 Ge8 Si48 -","4","1","","Tomoyuki Tajima; Nobuhiro Takeda; Takahiro Sasamori; Tokitoh Norihiro; Takeshi Yoshida; Masaru Nakahara","Synthesis of Bis(germacyclopropa)benzenes and Structures of Thier Annelated Benzene Rings","Organometallics","2006","","","","","10.1021/om0507629","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060612","15.2827","0.0014","43.085","0.002","17.3703","0.0015","90","","112.659","0.004","90","","10554.8","1.5","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bisgermacyclopropabenzenetrans","","","- C90 H168 Ge2 Si12 -","- C90 H168 Ge2 Si12 -","- C360 H672 Ge8 Si48 -","4","1","","Tomoyuki Tajima; Nobuhiro Takeda; Takahiro Sasamori; Norihiro Tokitoh; Takeshi Yoshida; Masaru Nakahara","Synthesis of Bis(germacyclopropa)benzenes and Structures of Their Annelated Benzene Rings","Organometallics","2006","","","","","10.1021/om0507629","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178495","2020-10-21","18:00:00",""
"4060613","42.91","0.0012","9.8725","0.0002","27.4618","0.0008","90","","112.213","0.001","90","","10770.2","0.5","200","","200","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C37.53 H42.13 B Cl8.59 N7 O0.3 P Rh S3 -","- C37.528 H41.5291 B Cl8.584 N7 O0.3 P Rh S3 -","- C300.224 H332.233 B8 Cl68.672 N56 O2.4 P8 Rh8 S24 -","8","1","","Crossley, Ian R.; Hill, Anthony F.; Willis, Anthony C.","Metallaboratranes: Tris(methimazolyl)borane Complexes of Rhodium(I)","Organometallics","2006","25","1","289","299","10.1021/om050772+","","","","","","","","","","","","","","","","","","","","","has coordinates","219029","2020-10-21","18:00:00",""
"4060614","10.8109","0.0002","14.8035","0.0003","18.0613","0.0004","86.3691","0.001","73.2647","0.0012","74.3865","0.0013","2665.63","0.1","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C42 H42 B Cl10 N7 P Rh S3 -","- C42 H42 B Cl10 N7 P Rh S3 -","- C84 H84 B2 Cl20 N14 P2 Rh2 S6 -","2","1","","Crossley, Ian R.; Hill, Anthony F.; Willis, Anthony C.","Metallaboratranes: Tris(methimazolyl)borane Complexes of Rhodium(I)","Organometallics","2006","25","1","289","299","10.1021/om050772+","","","","","","","","","","","","","","","","","","","","","has coordinates","219029","2020-10-21","18:00:00",""
"4060615","9.1802","0.0002","21.9173","0.0005","32.411","0.0008","90","","90","","90","","6521.3","0.3","200","","200","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C39 H76 B2 Cl5 N12 O2.5 P4 Rh2 S6 -","- C39 H72 B2 Cl5 N12 O2.5 P4 Rh2 S6 -","- C156 H288 B8 Cl20 N48 O10 P16 Rh8 S24 -","4","1","","Crossley, Ian R.; Hill, Anthony F.; Willis, Anthony C.","Metallaboratranes: Tris(methimazolyl)borane Complexes of Rhodium(I)","Organometallics","2006","25","1","289","299","10.1021/om050772+","","","","","","","","","","","","","","","","","","","","","has coordinates","219029","2020-10-21","18:00:00",""
"4060616","14.1279","0.0015","5.8199","0.0006","20.954","0.002","90","","104.181","0.004","90","","1670.4","0.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C80 H84 N12 -","4","1","","Coleman, Karl","","Organometallics","2006","","","","","10.1021/om050775m","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060617","10.2281","0.0002","16.4845","0.0004","11.6363","0.0003","90","","98.8095","0.0008","90","","1938.79","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Cl2 N3 Pd -","- C20 H21 Cl2 N3 Pd -","- C80 H84 Cl8 N12 Pd4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om050775m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060618","30.3999","0.001","31.8427","0.0009","10.0134","0.0003","90","","90","","90","","9693.1","0.5","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","","6","F d d 2","F 2 -2d","43","","","","- C23 H26 F6 N3 P Pd -","- C23 H26 F6 N3 P Pd -","- C368 H416 F96 N48 P16 Pd16 -","16","1","","","","Organometallics","2006","","","","","10.1021/om050775m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060619","15.562","0.0002","15.642","0.0003","19.9844","0.0004","90","","110.67","0.0007","90","","4551.48","0.14","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H46 Cl5 N6 O Rh -","- C43 H46 Cl5 N6 O Rh -","- C172 H184 Cl20 N24 O4 Rh4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om050775m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178495","2020-10-21","18:00:00",""
"4060620","8.3782","0.001","8.8215","0.0011","9.6638","0.0012","109.131","0.002","110.143","0.002","96.328","0.003","613.15","0.13","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 I2 N4 Ni -","- C22 H28 I2 N4 Ni -","- C22 H28 I2 N4 Ni -","1","0.5","","","","Organometallics","2006","","","","","10.1021/om050781i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060621","8.2445","0.0011","15.734","0.002","7.6891","0.001","90","","101.283","0.003","90","","978.1","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 I2 N4 Ni -","- C18 H20 I2 N4 Ni -","- C36 H40 I4 N8 Ni2 -","2","0.5","","","","Organometallics","2006","","","","","10.1021/om050781i","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060622","10.4953","0.0016","9.7047","0.0015","12.7765","0.0019","90","","94.158","0.003","90","","1297.9","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Br2 N4 Ni -","- C26 H28 Br2 N4 Ni -","- C52 H56 Br4 N8 Ni2 -","2","0.5","","","","Organometallics","2006","","","","","10.1021/om050781i","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060623","10.5688","0.0015","10.6259","0.0015","13.2418","0.0018","89.491","0.003","71.77","0.003","73.006","0.003","1345.2","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Br2 N4 Ni -","- C26 H36 Br2 N4 Ni -","- C52 H72 Br4 N8 Ni2 -","2","1","","","","Organometallics","2006","","","","","10.1021/om050781i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060624","8.226","0.003","8.622","0.003","9.288","0.003","108.209","0.007","111.384","0.007","96.103","0.008","564.3","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Br2 N4 Ni -","- C22 H24 Br2 N4 Ni -","- C22 H24 Br2 N4 Ni -","1","0.5","","","","Organometallics","2006","","","","","10.1021/om050781i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060625","13.6118","0.0007","22.2699","0.0012","15.6005","0.0008","90","","97.033","0.001","90","","4693.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H43 Cl2 N4 O Rh -","- C56 H43 Cl2 N4 O Rh -","- C224 H172 Cl8 N16 O4 Rh4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om0507878","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060626","13.705","0.017","22.17","0.02","15.746","0.018","90","","96.93","0.03","90","","4750","10","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Cl2 F N4 O Rh -","- C56 H42 Cl2 F N4 O Rh -","- C224 H168 Cl8 F4 N16 O4 Rh4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om0507878","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060627","34.687","0.0018","13.3266","0.0007","22.7762","0.0011","90","","116.964","0.001","90","","9384","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H44 F3 N4 O2 Rh -","- C57 H44 F3 N4 O2 Rh -","- C456 H352 F24 N32 O16 Rh8 -","8","1","","","","Organometallics","2006","","","","","10.1021/om0507878","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060628","14.581","0.003","22.782","0.005","12.847","0.003","90","","90","","90","","4267.6","1.5","173","2","173","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C47 H74 Li2 N4 -","- C47 H74 Li2 N4 -","- C188 H296 Li8 N16 -","4","0.5","","Carsten Strohmann; Stefan Dilsky; Katja Strohfeldt","Crystal Structures of [PhLi·(−)-sparteine]2, [PhOLi·(−)-sparteine]2, and the Mixed Aggregate [PhLi·PhOLi·2(−)-sparteine]","Organometallics","2006","25","","41","","10.1021/om050794w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060629","9.6939","0.0019","16.621","0.003","13.931","0.003","90","","104.16","0.03","90","","2176.3","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H74 Li2 N4 O -","- C47 H74 Li2 N4 O -","- C94 H148 Li4 N8 O2 -","2","1","","Carsten Strohmann; Stefan Dilsky; Katja Strohfeldt","Crystal Structures of [PhLi·(−)-sparteine]2, [PhOLi·(−)-sparteine]2, and the Mixed Aggregate [PhLi·PhOLi·2(−)-sparteine]","Organometallics","2006","25","","41","","10.1021/om050794w","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060630","9.7174","0.0018","16.668","0.003","14.42","0.002","90","","106.2","0.02","90","","2242.9","0.7","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H74 Li2 N4 O2 -","- C47 H74 Li2 N4 O2 -","- C94 H148 Li4 N8 O4 -","2","1","","Carsten Strohmann; Stefan Dilsky; Katja Strohfeldt","Crystal Structures of [PhLi·(−)-sparteine]2, [PhOLi·(−)-sparteine]2, and the Mixed Aggregate [PhLi·PhOLi·2(−)-sparteine]","Organometallics","2006","25","","41","","10.1021/om050794w","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060631","10.109","0.002","11.233","0.002","13.541","0.003","82.68","0.03","70.56","0.03","63.38","0.03","1295.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H25 Br2 N2 Ni O P -","- C29 H25 Br2 N2 Ni O P -","- C58 H50 Br4 N4 Ni2 O2 P2 -","2","1","","Hou, Junxian; Sun, Wen-Hua; Zhang, Shu; Ma, Hongwei; Deng, Yuan; Lu, Xiaoming","Synthesis and Characterization of Tridentate Nickel Complexes Bearing P∧N∧N and P∧N∧P Ligands and Their Catalytic Property in Ethylene Oligomerization","Organometallics","2006","25","1","236","244","10.1021/om0507979","","","","","","","","","","","","","","","","","","","","","has coordinates","219007","2020-10-21","18:00:00",""
"4060632","16.5092","0.0004","10.1035","0.0002","16.9507","0.0005","90","","104.781","0.001","90","","2733.82","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Br2 N2 Ni O P -","- C30 H27 Br2 N2 Ni O P -","- C120 H108 Br8 N8 Ni4 O4 P4 -","4","1","","Hou, Junxian; Sun, Wen-Hua; Zhang, Shu; Ma, Hongwei; Deng, Yuan; Lu, Xiaoming","Synthesis and Characterization of Tridentate Nickel Complexes Bearing P∧N∧N and P∧N∧P Ligands and Their Catalytic Property in Ethylene Oligomerization","Organometallics","2006","25","1","236","244","10.1021/om0507979","","","","","","","","","","","","","","","","","","","","","has coordinates","219007","2020-10-21","18:00:00",""
"4060633","11.298","0.002","11.879","0.002","14.045","0.003","91.99","0.03","97.91","0.03","114.07","0.03","1696.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H35 Br2 Cl2 N2 Ni P -","- C35 H35 Br2 Cl2 N2 Ni P -","- C70 H70 Br4 Cl4 N4 Ni2 P2 -","2","1","","Hou, Junxian; Sun, Wen-Hua; Zhang, Shu; Ma, Hongwei; Deng, Yuan; Lu, Xiaoming","Synthesis and Characterization of Tridentate Nickel Complexes Bearing P∧N∧N and P∧N∧P Ligands and Their Catalytic Property in Ethylene Oligomerization","Organometallics","2006","25","1","236","244","10.1021/om0507979","","","","","","","","","","","","","","","","","","","","","has coordinates","219007","2020-10-21","18:00:00",""
"4060634","11.4617","0.0017","28.609","0.004","12.1638","0.0018","90","","94.501","0.003","90","","3976.3","1","294","2","294","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H35 Br2 Cl N Ni O0.5 P2 -","- C39.5 H35 Br2 Cl N Ni O0.5 P2 -","- C158 H140 Br8 Cl4 N4 Ni4 O2 P8 -","4","1","","Hou, Junxian; Sun, Wen-Hua; Zhang, Shu; Ma, Hongwei; Deng, Yuan; Lu, Xiaoming","Synthesis and Characterization of Tridentate Nickel Complexes Bearing P∧N∧N and P∧N∧P Ligands and Their Catalytic Property in Ethylene Oligomerization","Organometallics","2006","25","1","236","244","10.1021/om0507979","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219007","2020-10-21","18:00:00",""
"4060635","10.475","0.002","13.575","0.003","13.657","0.003","75.02","0.03","73.06","0.03","88.4","0.03","1792.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H31 Cl4 Co N P2 -","- C38 H31 Cl4 Co N P2 -","- C76 H62 Cl8 Co2 N2 P4 -","2","1","","Hou, Junxian; Sun, Wen-Hua; Zhang, Shu; Ma, Hongwei; Deng, Yuan; Lu, Xiaoming","Synthesis and Characterization of Tridentate Nickel Complexes Bearing P∧N∧N and P∧N∧P Ligands and Their Catalytic Property in Ethylene Oligomerization","Organometallics","2006","25","1","236","244","10.1021/om0507979","","","","","","","","","","","","","","","","","","","","","has coordinates","219007","2020-10-21","18:00:00",""
"4060636","21.8809","0.0009","8.3103","0.0004","27.3697","0.0012","90","","90.101","0.001","90","","4976.8","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 O11 Os3 Sb -","- C19 H11 O11 Os3 Sb -","- C152 H88 O88 Os24 Sb8 -","8","1","","","","Organometallics","2006","","","","","10.1021/om0508132","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060637","8.4121","0.0005","35.499","0.002","17.522","0.0011","90","","96.161","0.003","90","","5202.2","0.6","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 O11 Os3 Sb -","- C20 H13 O11 Os3 Sb -","- C160 H104 O88 Os24 Sb8 -","8","2","","","","Organometallics","2006","","","","","10.1021/om0508132","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060638","13.7234","0.0014","11.1025","0.0012","19.8166","0.0018","90","","94.377","0.003","90","","3010.5","0.5","223","2","223","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C27.5 H16 Cl O9 Os3 Sb -","- C27.5 H16 Cl O9 Os3 Sb -","- C110 H64 Cl4 O36 Os12 Sb4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om0508132","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060639","16.3554","0.0014","10.2881","0.0009","13.2426","0.0011","90","","96.605","0.002","90","","2213.5","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 O9 Os3 Sb -","- C17 H11 O9 Os3 Sb -","- C68 H44 O36 Os12 Sb4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om0508132","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060640","8.4185","0.0002","16.8901","0.0005","18.1308","0.0005","90","","96.835","0.001","90","","2559.68","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 O9 Os3 Sb -","- C22 H13 O9 Os3 Sb -","- C88 H52 O36 Os12 Sb4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om0508132","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060641","9.6232","0.0005","16.1907","0.0008","29.7325","0.0015","90","","96.214","0.001","90","","4605.3","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 O9 Os3 Sb -","- C18 H13 O9 Os3 Sb -","- C144 H104 O72 Os24 Sb8 -","8","1","","","","Organometallics","2006","","","","","10.1021/om0508132","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060642","9.2722","0.0004","15.0937","0.0007","17.2511","0.0008","90","","90.701","0.001","90","","2414.14","0.19","223","2","223","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H11 O10 Os3 Sb -","- C18 H11 O10 Os3 Sb -","- C72 H44 O40 Os12 Sb4 -","4","2","","","","Organometallics","2006","","","","","10.1021/om0508132","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060643","9.6092","0.0003","27.4384","0.0008","14.3351","0.0004","90","","92.571","0.001","90","","3775.8","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H7 O20 Os6 Sb -","- C27 H7 O20 Os6 Sb -","- C108 H28 O80 Os24 Sb4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om0508132","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060644","15.7364","0.001","13.2779","0.0008","19.5943","0.0012","90","","91.037","0.002","90","","4093.5","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H18 O16 Os6 Sb2 -","- C31 H18 O16 Os6 Sb2 -","- C124 H72 O64 Os24 Sb8 -","4","1","","","","Organometallics","2006","","","","","10.1021/om0508132","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060645","9.8025","0.0006","18.03","0.001","15.8402","0.0009","90","","103.488","0.001","90","","2722.4","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 O9 Os3 Sb -","- C22 H22 O9 Os3 Sb -","- C88 H88 O36 Os12 Sb4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om0508132","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060646","14.671","0.0006","10.5563","0.0004","19.0024","0.0008","90","","111.428","0.001","90","","2739.51","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl4 N2 O Ru -","- C24 H32 Cl4 N2 O Ru -","- C96 H128 Cl16 N8 O4 Ru4 -","4","1","","Hummert, Markus","","Organometallics","2006","","","","","10.1021/om0508233","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060647","14.1089","0.0004","11.3255","0.0004","16.1628","0.0006","90","","107.423","0.001","90","","2464.17","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl2 N2 O Ru -","- C24 H32 Cl2 N2 O Ru -","- C96 H128 Cl8 N8 O4 Ru4 -","4","1","","Hummert, Markus","","Organometallics","2006","","","","","10.1021/om0508233","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060648","26.153","0.007","7.357","0.002","14.845","0.004","90","","112.385","0.005","90","","2641.1","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Cl4 Ir2 N2 -","- C24 H34 Cl4 Ir2 N2 -","- C96 H136 Cl16 Ir8 N8 -","4","0.5","","","","Organometallics","2006","","","","","10.1021/om0508435","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060649","9.414","0.008","12.751","0.011","20.27","0.017","98.667","0.012","99.072","0.012","100.045","0.012","2326","3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H88 B4 Cl16 F16 Ir4 N4 -","- C66 H88 B4 Cl16 F16 Ir4 N4 -","- C66 H88 B4 Cl16 F16 Ir4 N4 -","1","0.5","","","","Organometallics","2006","","","","","10.1021/om0508435","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060650","12.726","0.008","13.736","0.009","15.503","0.01","80.429","0.009","71.022","0.008","84.873","0.009","2525","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H96 Cl14 F12 Ir4 N4 O12 S4 -","- C74 H96 Cl14 F12 Ir4 N4 O12 S4 -","- C74 H96 Cl14 F12 Ir4 N4 O12 S4 -","1","0.5","","","","Organometallics","2006","","","","","10.1021/om0508435","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060651","23.406","0.004","12.868","0.002","36.79","0.007","90","","91.095","0.003","90","","11079","4","298","2","298","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C76 H100 Cl4 F12 N4 O12 Rh4 S4 -","- C76 H100 Cl4 F12 N4 O12 Rh4 S4 -","- C304 H400 Cl16 F48 N16 O48 Rh16 S16 -","4","1","","","","Organometallics","2006","","","","","10.1021/om0508435","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060652","12.6755","0.0018","20.868","0.003","22.048","0.003","81.406","0.003","80.098","0.002","85.367","0.003","5671.4","1.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H100 Cl4 F12 N8 O12 Rh4 S4 -","- C76 H100 Cl4 F12 N8 O12 Rh4 S4 -","- C152 H200 Cl8 F24 N16 O24 Rh8 S8 -","2","1","","","","Organometallics","2006","","","","","10.1021/om0508435","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060653","20.232","0.003","20.232","0.003","35.833","0.007","90","","90","","90","","14668","4","293","2","293","2","","","","","","","","7","P 42/m b c","-P 4c 2ab","135","","","","- C25 H15 B F4 N O2 Rh -","- C25 H15 B F4 N O2 Rh -","- C400 H240 B16 F64 N16 O32 Rh16 -","16","1","","","","Organometallics","2006","","","","","10.1021/om0508435","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060654","5.5963","0.0003","17.6769","0.0011","17.615","0.001","90","","91.296","0.003","90","","1742.12","0.17","223","2","223","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","","","Organometallics","2006","","","","","10.1021/om050850t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060655","17.5193","0.0007","10.1345","0.0004","18.079","0.0007","90","","117.371","0.002","90","","2850.56","0.19","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H10 O14 Ru6 -","- C23 H10 O14 Ru6 -","- C92 H40 O56 Ru24 -","4","1","","","","Organometallics","2006","","","","","10.1021/om050850t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178495","2020-10-21","18:00:00",""
"4060656","16.6549","0.0012","9.9567","0.0007","12.4927","0.0009","90","","90","","90","","2071.6","0.3","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H4 Br2 O12 Ru4 -","- C11 H5 Br2 O12 Ru4 -","- C44 H20 Br8 O48 Ru16 -","4","0.5","","","","Organometallics","2006","","","","","10.1021/om050850t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060657","9.0976","0.0003","11.2013","0.0004","22.016","0.0007","90","","90.486","0.002","90","","2243.46","0.13","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Br2 O12 Ru4 -","- C12 H6 Br2 O12 Ru4 -","- C48 H24 Br8 O48 Ru16 -","4","1","","","","Organometallics","2006","","","","","10.1021/om050850t","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060658","42.757","0.002","10.6371","0.0006","14.4885","0.0007","90","","103.427","0.002","90","","6409.4","0.6","223","2","223","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C8 Br6 O9 Ru4 -","- C8 Br6 O9 Ru4 -","- C96 Br72 O108 Ru48 -","12","3","","","","Organometallics","2006","","","","","10.1021/om050850t","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060659","9.587","0.007","11.231","0.006","15.06","0.01","70.75","0.04","81.86","0.05","87.92","0.04","1515.4","1.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H45 Al N4 O -","- C30.5 H45 Al N4 O -","- C61 H90 Al2 N8 O2 -","2","1","","Milione, Stefano; Grisi, Fabia; Centore, Roberto; Tuzi, Angela","Neutral and Cationic Heteroscorpionate Aluminum Complexes: Synthesis, Structure, and Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2006","25","1","266","274","10.1021/om050902e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219010","2020-10-21","18:00:00",""
"4060660","14.871","0.003","12.175","0.003","17.426","0.003","90","","109.73","0.02","90","","2969.8","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 Al N4 O -","- C29 H45 Al N4 O -","- C116 H180 Al4 N16 O4 -","4","1","","Milione, Stefano; Grisi, Fabia; Centore, Roberto; Tuzi, Angela","Neutral and Cationic Heteroscorpionate Aluminum Complexes: Synthesis, Structure, and Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2006","25","1","266","274","10.1021/om050902e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219010","2020-10-21","18:00:00",""
"4060661","9.43","0.002","9.479","0.002","19.711","0.004","100.72","0.02","91.81","0.02","104.6","0.02","1669.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H53 Al N4 O -","- C33 H53 Al N4 O -","- C66 H106 Al2 N8 O2 -","2","1","","Milione, Stefano; Grisi, Fabia; Centore, Roberto; Tuzi, Angela","Neutral and Cationic Heteroscorpionate Aluminum Complexes: Synthesis, Structure, and Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2006","25","1","266","274","10.1021/om050902e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219010","2020-10-21","18:00:00",""
"4060662","11.695","0.002","11.695","0.002","35.299","0.005","90","","90","","90","","4828","1.4","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H12 B F15 N2 -","- C24 H12 B F15 N2 -","- C192 H96 B8 F120 N16 -","8","1","","Milione, Stefano; Grisi, Fabia; Centore, Roberto; Tuzi, Angela","Neutral and Cationic Heteroscorpionate Aluminum Complexes: Synthesis, Structure, and Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2006","25","1","266","274","10.1021/om050902e","","","","","","","","","","","","","","","","","","","","","has coordinates","219010","2020-10-21","18:00:00",""
"4060663","12.238","0.002","12.973","0.002","18.067","0.002","90","","126.37","0.01","90","","2309.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H8 B F15 N2 -","- C23 H8 B F15 N2 -","- C92 H32 B4 F60 N8 -","4","1","","Milione, Stefano; Grisi, Fabia; Centore, Roberto; Tuzi, Angela","Neutral and Cationic Heteroscorpionate Aluminum Complexes: Synthesis, Structure, and Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2006","25","1","266","274","10.1021/om050902e","","","","","","","","","","","","","","","","","","","","","has coordinates","219010","2020-10-21","18:00:00",""
"4060664","23.18","0.002","7.4095","0.0008","26.823","0.003","90","","113.899","0.0016","90","","4211.8","0.8","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 Ir O P -","- C23 H32 Ir O P -","- C184 H256 Ir8 O8 P8 -","8","2","","","A Rare Example of Efficient Alkene Hydrogenation Mediated by a Neutral Ir(I) Complex","Organometallics","2006","","","","","10.1021/om050909w","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060665","17.7477","0.0011","11.449","0.0008","9.3595","0.0006","90","","99.246","0.003","90","","1877.1","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 O8 P4 Rh2 -","- C8 H24 O8 P4 Rh2 -","- C32 H96 O32 P16 Rh8 -","4","0.5","","","","Organometallics","2006","","","","","10.1021/om0509185","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060666","12.897","0.002","5.7782","0.0007","17.568","0.003","90","","90.649","0.004","90","","1309.1","0.3","296.1","","","","","","","","","","","2","P 1 a 1","P -2ya","7","","","","- C18 H14 -","- C18 H14 -","- C72 H56 -","4","2","","","","Organometallics","2006","","","","","10.1021/om0509241","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060667","13.682","0.003","16.96","0.003","19.612","0.003","90","","90","","90","","4550.9","1.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H78 B2 Li2 O3 P2 Si4 -","- C30 H78 B2 Li2 O3 P2 Si4 -","- C120 H312 B8 Li8 O12 P8 Si16 -","4","1","","","","Organometallics","2006","","","","","10.1021/om0509701","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060889","13.299","0.003","14.064","0.003","14.392","0.003","90","","98.414","0.005","90","","2662.9","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Cl2 S2 Si Zr -","- C30 H26 Cl2 S2 Si Zr -","- C120 H104 Cl8 S8 Si4 Zr4 -","4","0.5","","Izmer, Vyatcheslav V.; Lebedev, Artyom Y.; Nikulin, Mikhail V.; Ryabov, Alexey N.; Asachenko, Andrei F.; Lygin, Alexander V.; Sorokin, Denis A.; Voskoboynikov, Alexander Z.","Palladium-Catalyzed Pathways to Aryl-Substituted Indenes: Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes","Organometallics","2006","25","5","1217","1229","10.1021/om050937e","","","0.71073","MoKα","","0.0712","0.0452","","","0.0917","0.1008","","","","","","1.023","","","","has coordinates,has disorder","209815","2020-10-21","18:00:00",""
"4060892","10.6796","0.0005","20.7933","0.0009","22.8821","0.001","90","","91.737","0.001","90","","5079","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60.95 H59.6 Cl O3.7 P Ru -","- C64.53 H61.74 Cl O2 P Ru -","- C258.12 H246.96 Cl4 O8 P4 Ru4 -","4","1","","Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Vos, Thomas E.; Khodavandi, Babak; Guzei, Ilia A.","The PPh3-Substituted Hydroxycyclopentadienyl Ruthenium Hydride [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Is a More Efficient Catalyst for Hydrogenation of Aldehydes","Organometallics","2006","25","5","1230","1235","10.1021/om0509387","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209882","2020-10-21","18:00:00",""
"4060893","10.8661","0.001","17.416","0.0015","22.728","0.002","81.676","0.001","89.139","0.001","83.601","0.001","4229.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.5 H45 O2 P Ru -","- C53.5 H44.5 O2 P Ru -","- C214 H178 O8 P4 Ru4 -","4","2","","Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Vos, Thomas E.; Khodavandi, Babak; Guzei, Ilia A.","The PPh3-Substituted Hydroxycyclopentadienyl Ruthenium Hydride [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Is a More Efficient Catalyst for Hydrogenation of Aldehydes","Organometallics","2006","25","5","1230","1235","10.1021/om0509387","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060894","11.012","0.003","13.278","0.004","18.598","0.005","97.026","0.006","99.2","0.007","98.692","0.005","2623.6","1.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H53 O4 P Ru -","- C57 H45 O4 P Ru -","- C114 H90 O8 P2 Ru2 -","2","1","","Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Vos, Thomas E.; Khodavandi, Babak; Guzei, Ilia A.","The PPh3-Substituted Hydroxycyclopentadienyl Ruthenium Hydride [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Is a More Efficient Catalyst for Hydrogenation of Aldehydes","Organometallics","2006","25","5","1230","1235","10.1021/om0509387","","","","","","","","","","","","","","","","","","","","","has coordinates","209883","2020-10-21","18:00:00",""
"4060895","11.8831","0.0018","20.523","0.003","21.063","0.003","90","","93.366","0.003","90","","5127.8","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H54 O2 P2 Ru -","- C68 H54 O2 P2 Ru -","- C272 H216 O8 P8 Ru4 -","4","1","","Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Guzei, Ilia A.","PPh3-Substituted [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Exhibits Slower Stoichiometric Reduction, Faster Catalytic Hydrogenation, and Higher Chemoselectivity for Hydrogenation of Aldehydes over Ketones Than the Dicarbonyl Shvo Catalyst","Organometallics","2006","25","5","1236","1244","10.1021/om050939z","","","","","","","","","","","","","","","","","","","","","has coordinates","209884","2020-10-21","18:00:00",""
"4060896","12.2471","0.001","13.4125","0.0011","14.5482","0.0012","96.734","0.001","97.104","0.001","97.215","0.001","2331.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H48 N O2.5 P Ru -","- C55 H44 N O2 P Ru -","- C110 H88 N2 O4 P2 Ru2 -","2","1","","Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Guzei, Ilia A.","PPh3-Substituted [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Exhibits Slower Stoichiometric Reduction, Faster Catalytic Hydrogenation, and Higher Chemoselectivity for Hydrogenation of Aldehydes over Ketones Than the Dicarbonyl Shvo Catalyst","Organometallics","2006","25","5","1236","1244","10.1021/om050939z","","","","","","","","","","","","","","","","","","","","","has coordinates","209884","2020-10-21","18:00:00",""
"4060935","12.3139","0.0004","14.1247","0.0004","14.3103","0.0005","91.777","0.001","104.175","0.001","96.606","0.001","2392.66","0.13","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 B F20 N3 Zr -","- C47 H42 B F20 N3 Zr -","- C94 H84 B2 F40 N6 Zr2 -","2","1","","Kissounko, Denis A.; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Chemoselective Deprotonations of a Cationic Zirconium Primary Amido Complex to Either a Neutral Zirconium Terminal Imido or a Noninterconverting Tautomer","Organometallics","2006","25","5","1076","1078","10.1021/om051007y","","","","","","0.0544","0.0401","","0.1165","0.1082","","","0.0275","1.045","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060942","10.171","0.0009","16.233","0.0018","19.984","0.002","90","0.005","104.394","0.004","90","0.005","3195.9","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 B N6 P Rh -","- C33 H37 B N6 P Rh -","- C132 H148 B4 N24 P4 Rh4 -","4","1","","Cao, Changsheng; Wang, Tongen; Patrick, Brian O.; Love, Jennifer A.","Orthometalation of Tp*Rh(PPh3)2: Implications for Catalytic Reactivity","Organometallics","2006","25","5","1321","1324","10.1021/om0510268","","","","","","","","","","","","","","","","","","","","","has coordinates","209915","2020-10-21","18:00:00",""
"4060943","19.701","0.002","13.16","0.001","29.07","0.003","90","","93.261","0.005","90","","7524.6","1.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H46 B N6 O P Rh -","- C40.795 H43.795 B N6 O P Rh -","- C326.36 H350.36 B8 N48 O8 P8 Rh8 -","8","1","","Cao, Changsheng; Wang, Tongen; Patrick, Brian O.; Love, Jennifer A.","Orthometalation of Tp*Rh(PPh3)2: Implications for Catalytic Reactivity","Organometallics","2006","25","5","1321","1324","10.1021/om0510268","","","","","","","","","","","","","","","","","","","","","has coordinates","209915","2020-10-21","18:00:00",""
"4060944","9.5855","0.0012","12.3351","0.0014","16.064","0.002","76.493","0.004","80.728","0.004","87.572","0.004","1822.7","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H43 B N6 O2 P Rh -","- C38 H43 B N6 O2 P Rh -","- C76 H86 B2 N12 O4 P2 Rh2 -","2","1","","Cao, Changsheng; Wang, Tongen; Patrick, Brian O.; Love, Jennifer A.","Orthometalation of Tp*Rh(PPh3)2: Implications for Catalytic Reactivity","Organometallics","2006","25","5","1321","1324","10.1021/om0510268","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209915","2020-10-21","18:00:00",""
"4060945","24.564","0.019","13.982","0.01","22.082","0.017","90","","114.285","0.013","90","","6913","9","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Br F5 N P Pd -","- C37 H32 Br F5 N P Pd -","- C296 H256 Br8 F40 N8 P8 Pd8 -","8","1","","Albéniz, Ana C.; Espinet, Pablo; Pérez-Mateo, Alberto; Nova, Ainara; Ujaque, Gregori","Formation of a Vinyliminium Palladium Complex by C‒C Coupling in Vinylcarbene Palladium Aryl Complexes","Organometallics","2006","25","5","1293","1297","10.1021/om051028s","","","","","","","","","","","","","","","","","","","","","has coordinates","209904","2020-10-21","18:00:00",""
"4060946","11.4482","0.0014","9.7122","0.0011","18.454","0.002","90","","101.959","0.003","90","","2007.3","0.4","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B F9 N -","- C19 H17 B F9 N -","- C76 H68 B4 F36 N4 -","4","1","","Albéniz, Ana C.; Espinet, Pablo; Pérez-Mateo, Alberto; Nova, Ainara; Ujaque, Gregori","Formation of a Vinyliminium Palladium Complex by C‒C Coupling in Vinylcarbene Palladium Aryl Complexes","Organometallics","2006","25","5","1293","1297","10.1021/om051028s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209904","2020-10-21","18:00:00",""
"4060947","32.26","0.006","10.656","0.002","22.798","0.005","90","","102.071","0.004","90","","7664","3","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Br Cl2 F5 N P Pd -","- C38 H34 Br Cl2 F5 N P Pd -","- C304 H272 Br8 Cl16 F40 N8 P8 Pd8 -","8","1","","Albéniz, Ana C.; Espinet, Pablo; Pérez-Mateo, Alberto; Nova, Ainara; Ujaque, Gregori","Formation of a Vinyliminium Palladium Complex by C‒C Coupling in Vinylcarbene Palladium Aryl Complexes","Organometallics","2006","25","5","1293","1297","10.1021/om051028s","","","","","","","","","","","","","","","","","","","","","has coordinates","209904","2020-10-21","18:00:00",""
"4063231","12.0127","0.0003","11.8443","0.0003","30.8127","0.0008","90","","96.916","0.001","90","","4352.2","0.2","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","[{MgCl(MesNPPh2CHPPh2NMes)}2].2(toluene)","","","- C100 H102 Cl2 Mg2 N4 P4 -","- C100 H102 Cl2 Mg2 N4 P4 -","- C200 H204 Cl4 Mg4 N8 P8 -","2","0.5","","Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock","Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides","Organometallics","2006","25","2","394","402","10.1021/om050811h","","x-ray","0.71073","MoKα","","0.0755","0.0508","","","0.1052","0.1148","","","","","","1.058","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063232","30.8401","0.0002","30.8401","0.0002","10.2288","0.0001","90","","90","","90","","9728.73","0.13","173","2","173","2","","","","","","","synthesis as described","7","I -4","I -4","82","[MgCl(thf)(mesNPPh2CHPPh2Nmes)].toluene","","","- C54 H59 Cl Mg N2 O P2 -","- C54 H59 Cl Mg N2 O P2 -","- C432 H472 Cl8 Mg8 N16 O8 P16 -","8","1","","Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock","Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides","Organometallics","2006","25","2","394","402","10.1021/om050811h","","x-ray","0.71073","MoKα","","0.047","0.038","","","0.0831","0.0873","","","","","","1.031","","","","has coordinates","201926","2020-10-21","18:00:00",""
"4063233","14.4977","0.0002","14.6883","0.0002","25.7312","0.0005","100.458","0.001","94.304","0.001","119.129","0.001","4620.91","0.13","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[{K(MesNPPh2CHPPh2NMes)}2]. 3(toluene)","","","- C107 H110 K2 N4 P4 -","- C107 H94 K2 N4 P4 -","- C214 H188 K4 N8 P8 -","2","1","","Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock","Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides","Organometallics","2006","25","2","394","402","10.1021/om050811h","","x-ray","0.71073","MoKα","","0.2117","0.1318","","","0.2732","0.306","","","","","","1.185","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4063234","13.0294","0.0002","13.3312","0.0002","25.5773","0.0004","100.566","0.001","92.303","0.001","118.149","0.001","3809.47","0.1","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[Ba(MesNPPh2CHPPh2NMes)2].1/2(toluene)","","","- C89.5 H90 Ba N4 P4 -","- C89.5 H90 Ba N4 P4 -","- C179 H180 Ba2 N8 P8 -","2","1","","Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock","Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides","Organometallics","2006","25","2","394","402","10.1021/om050811h","","x-ray","0.71073","MoKα","","0.0803","0.0471","","","0.0884","0.0979","","","","","","1.025","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063235","12.6861","0.0006","22.9406","0.0011","18.2982","0.001","90","","104.334","0.002","90","","5159.5","0.4","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","[Ca(thf){N(SiMe3)2}(MesNPPh2CHPPh2NMes)]","","","- C53 H69 Ca N3 O P2 Si2 -","- C53 H69 Ca N3 O P2 Si2 -","- C212 H276 Ca4 N12 O4 P8 Si8 -","4","1","","Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock","Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides","Organometallics","2006","25","2","394","402","10.1021/om050811h","","x-ray","0.71073","MoKα","","0.1741","0.0892","","","0.1423","0.1722","","","","","","1.098","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063236","12.7105","0.0001","23.1523","0.0002","18.4217","0.0001","90","","104.566","0.003","90","","5246.85","0.07","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","[Sr(thf){N(SiMe3)2}(MesNPPh2CHPPh2NMes)]","","","- C53 H69 N3 O P2 Si2 Sr -","- C53 H69 N3 O P2 Si2 Sr -","- C212 H276 N12 O4 P8 Si8 Sr4 -","4","1","","Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock","Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides","Organometallics","2006","25","2","394","402","10.1021/om050811h","","x-ray","0.71073","MoKα","","0.0558","0.0392","","","0.0819","0.0892","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063243","11.8543","0.0009","13.4082","0.0011","19.2254","0.0015","90","","90","","90","","3055.8","0.4","153","2","153","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 B Cl2 N8 O4 P W -","- C24 H34 B Cl2 N8 O4 P W -","- C96 H136 B4 Cl8 N32 O16 P4 W4 -","4","1","","Kimberley C. Bassett; Fei You; Peter M. Graham; William H. Myers; Michal Sabat; W. Dean Harman","Furan [3 + 2] Dipolar Cycloadditions Promoted by a π-Basic Tungsten Metal Fragment","Organometallics","2006","25","2","435","439","10.1021/om0506926","","","0.71073","MoKα","","0.02","0.0187","","","0.0377","0.0378","","","","","","0.857","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063244","11.4958","0.0007","13.848","0.0008","17.6576","0.001","90","","90","","90","","2811","0.3","153","2","153","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 B Cl2 N8 O2 P W -","- C22 H32 B Cl2 N8 O2 P W -","- C88 H128 B4 Cl8 N32 O8 P4 W4 -","4","1","","Kimberley C. Bassett; Fei You; Peter M. Graham; William H. Myers; Michal Sabat; W. Dean Harman","Furan [3 + 2] Dipolar Cycloadditions Promoted by a π-Basic Tungsten Metal Fragment","Organometallics","2006","25","2","435","439","10.1021/om0506926","","","0.71073","MoKα","","0.0457","0.0375","","","0.0685","0.0702","","","","","","0.922","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063250","10.31","0.001","10.671","0.001","13.148","0.001","94.231","0.001","102.856","0.001","103.282","0.001","1360.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 Br N2 P2 -","- C31 H29 Br N2 P2 -","- C62 H58 Br2 N4 P4 -","2","1","","Leïla Boubekeur; Simon Ulmer; Louis Ricard; Nicolas Mézailles; Pascal Le Floch","A Stable Hydrido Amido Ruthenium Complex Bearing a Tridentate Iminophosphorane-Phosphine-Amine Ligand","Organometallics","2006","25","2","315","317","10.1021/om050738v","","","0.71069","MoKα","","0.0705","0.0405","","","0.09","0.1007","","","","","","1.013","","","","has coordinates","120119","2020-10-21","18:00:00",""
"4063251","23.324","0.001","27.387","0.001","14.28","0.001","90","","90.005","0.001","90","","9121.7","0.8","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H45 Cl4 N2 P3 Ru -","- C50 H45 Cl4 N2 P3 Ru -","- C400 H360 Cl32 N16 P24 Ru8 -","8","2","","Leïla Boubekeur; Simon Ulmer; Louis Ricard; Nicolas Mézailles; Pascal Le Floch","A Stable Hydrido Amido Ruthenium Complex Bearing a Tridentate Iminophosphorane-Phosphine-Amine Ligand","Organometallics","2006","25","2","315","317","10.1021/om050738v","","","0.71069","MoKα","","0.0673","0.0437","","","0.1063","0.1172","","","","","","1.014","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063252","10.593","","28.202","0.001","14.816","0.0011","90","","94.71","0.001","90","","4411.2","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H40 N2 O P3 Ru -","- C49 H43 N2 P3 Ru -","- C196 H172 N8 P12 Ru4 -","4","1","","Leïla Boubekeur; Simon Ulmer; Louis Ricard; Nicolas Mézailles; Pascal Le Floch","A Stable Hydrido Amido Ruthenium Complex Bearing a Tridentate Iminophosphorane-Phosphine-Amine Ligand","Organometallics","2006","25","2","315","317","10.1021/om050738v","","","0.71069","MoKα","","0.0526","0.0392","","","0.1078","0.1135","","","","","","1.055","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063256","7.046","0.002","15.853","0.006","9.341","0.004","90","","104.46","0.02","90","","1010.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 B2 F10 K2 -","- C6 B2 F10 K2 -","- C24 B8 F40 K8 -","4","1","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.05","0.031","","","0.0695","0.0899","","","","","","0.973","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063257","8.111","0.005","26.229","0.005","11.966","0.01","90","","90","","90","","2546","3","173","2","173","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C8 H5 B2 F9 K N O -","- C8 H3 B2 F9 K N O -","- C64 H24 B16 F72 K8 N8 O8 -","8","0.5","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.0723","0.0508","","","0.1365","0.152","","","","","","1.067","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4063258","9.537","0.0015","10.722","0.0007","17.0989","0.0012","73.417","0.005","82.369","0.003","71.803","0.002","1590.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H3 B2 F24 N -","- C32 H3 B2 F24 N -","- C64 H6 B4 F48 N2 -","2","1","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.2128","0.0736","","","0.1704","0.2472","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063259","13.8512","0.001","13.3129","0.0008","20.046","0.002","90","","105.369","0.008","90","","3564.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H8 B2 Cl2 F24 N2 -","- C35 H8 B2 Cl2 F24 N2 -","- C140 H32 B8 Cl8 F96 N8 -","4","1","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.0879","0.0466","","","0.0955","0.1156","","","","","","1.068","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063260","9.9667","0.0007","11.3162","0.0007","16.8523","0.0011","83.699","0.002","89.897","0.002","71.64","0.002","1792","0.2","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.5 H12 B2 F20 -","- C40.5 B2 F20 -","- C81 B4 F40 -","2","1","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.0793","0.0643","","","0.1951","0.2118","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063261","9.8508","0.0006","12.5539","0.0007","26.6988","0.0015","90","","95.59","0.002","90","","3286","0.3","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H11 B2 F20 N -","- C38.006 H3 B2 F20 N -","- C152.024 H12 B8 F80 N4 -","4","1","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.1014","0.073","","","0.1601","0.1741","","","","","","1.168","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063262","10.286","0.0002","14.5109","0.0003","20.4735","0.0005","90","","104.069","0.0008","90","","2964.19","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H8 B2 F20 O -","- C34 H8 B2 F20 O -","- C136 H32 B8 F80 O4 -","4","1","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.0906","0.0418","","","0.0935","0.1137","","","","","","0.971","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063263","9.0312","0.0003","12.3044","0.0004","16.8288","0.0006","90","","99.018","0.002","90","","1846.96","0.11","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C39 H18 B2 Cl2 F20 O2 -","- C39 H18 B2 Cl2 F20 O2 -","- C78 H36 B4 Cl4 F40 O4 -","2","0.5","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71069","MoKα","","0.0846","0.0523","","","0.1267","0.1494","","","","","","1.029","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063270","16.7551","0.0007","21.3806","0.0005","16.9183","0.0004","90","","90","","90","","6060.7","0.3","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Ti -","- C40 H36 Ti -","- C320 H288 Ti8 -","8","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0724","0.0454","","","0.1176","0.1282","","","","","","0.996","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063271","18.9376","0.0013","6.8725","0.0003","21.899","0.0016","90","","103.008","0.009","90","","2777","0.3","193","2","193","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 -","- C19 H20 -","- C152 H160 -","8","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0842","0.0383","","","0.0762","0.087","","","","","","0.829","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063272","12.1107","0.0007","11.2973","0.0006","14.1304","0.0009","90","","109.87","0.007","90","","1818.2","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C48 H40 Ti -","- C48 H40 Ti -","- C96 H80 Ti2 -","2","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0591","0.0416","","","0.0867","0.0917","","","","","","0.913","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063273","9.9273","0.0003","12.9692","0.0005","21.7517","0.0007","90","","93.293","0.003","90","","2795.89","0.16","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Ti -","- C38 H40 Ti -","- C152 H160 Ti4 -","4","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0741","0.0359","","","0.0633","0.0706","","","","","","0.841","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063274","10.8634","0.0005","11.7578","0.0005","16.4825","0.0009","71.487","0.005","81.618","0.006","63.231","0.005","1782.4","0.15","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H45 Cl2 Ti -","- C43 H45 Cl2 Ti -","- C86 H90 Cl4 Ti2 -","2","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0427","0.0285","","","0.0691","0.0728","","","","","","0.943","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063275","8.1551","0.0003","15.8776","0.0007","34.2942","0.0014","90","","93.593","0.005","90","","4431.8","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H50 Cl2 Ti -","- C55 H50 Cl2 Ti -","- C220 H200 Cl8 Ti4 -","4","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0672","0.0412","","","0.0891","0.0973","","","","","","0.951","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063277","9.8687","0.001","11.046","0.0011","19.243","0.002","90","0.002","91.657","0.002","90","0.002","2096.7","0.4","150","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Ru(Cp){OC(O-t-Bu)O}(eta3-PhCH-CH-CH2))[PF6]","","","- C19 H23 F6 O3 P Ru -","- C19 H23 F6.168 O3 P Ru -","- C76 H92 F24.672 O12 P4 Ru4 -","4","1","","Ignacio Fernández; René Hermatschweiler; Paul S. Pregosin; Alberto Albinati; Silvia Rizzato","Synthesis, X-ray Studies, and Catalytic Allylic Amination Reactions with Ruthenium(IV) Allyl Carbonate Complexes","Organometallics","2006","25","2","323","330","10.1021/om050749o","","","0.71073","MoKα","","0.0489","0.0353","","","0.0764","0.0829","","","","","","1.061","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063284","12.7444","0.0012","11.987","0.0011","19.6856","0.0018","90","","95.124","0.002","90","","2995.3","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 P2 Pd -","- C32 H39 Cl2 P2 Pd -","- C128 H156 Cl8 P8 Pd4 -","4","1","","Olga Grossman; Clarit Azerraf; Dmitri Gelman","Palladium Complexes Bearing Novel Strongly Bent Trans-Spanning Diphosphine Ligands: Synthesis, Characterization, and Catalytic Activity","Organometallics","2006","25","2","375","381","10.1021/om050906j","","","0.71073","MoKα","","0.0291","0.0254","","","0.0717","0.0732","","","","","","1.061","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063285","12.0089","0.0013","12.6271","0.0014","15.4198","0.0017","67.5","0.002","74.016","0.002","65.386","0.002","1945.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H37.5 Cl6 P2 Pd -","- C39.346 H36 Cl6.037 P2 Pd -","- C78.692 H72 Cl12.074 P4 Pd2 -","2","1","","Olga Grossman; Clarit Azerraf; Dmitri Gelman","Palladium Complexes Bearing Novel Strongly Bent Trans-Spanning Diphosphine Ligands: Synthesis, Characterization, and Catalytic Activity","Organometallics","2006","25","2","375","381","10.1021/om050906j","","","0.71073","MoKα","","0.0376","0.0336","","","0.0925","0.0947","","","","","","1.064","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063286","15.3648","0.0009","22.1329","0.0012","14.2719","0.0008","90","","106.938","0.001","90","","4642.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 Cl13 P2 Pd2 -","- C35 H40 Cl13 P2 Pd2 -","- C140 H160 Cl52 P8 Pd8 -","4","1","","Olga Grossman; Clarit Azerraf; Dmitri Gelman","Palladium Complexes Bearing Novel Strongly Bent Trans-Spanning Diphosphine Ligands: Synthesis, Characterization, and Catalytic Activity","Organometallics","2006","25","2","375","381","10.1021/om050906j","","","0.71073","MoKα","","0.0543","0.0374","","","0.0892","0.0937","","","","","","0.966","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063292","8.7205","0.0017","17.585","0.005","16.137","0.002","90","","99.9","0.03","90","","2437.8","0.9","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Mo O4 P S2 W -","- C23 H21 Mo O4 P S2 W -","- C92 H84 Mo4 O16 P4 S8 W4 -","4","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.049","0.025","","","0.0561","0.0626","","","","","","1.026","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063293","9.9197","0.0003","18.2649","0.0005","29.1376","0.0008","90","","90","","90","","5279.2","0.3","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H50 Mo2 O8 P2 S4 W2 -","- C50 H50 Mo2 O8 P2 S4 W2 -","- C200 H200 Mo8 O32 P8 S16 W8 -","4","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","","0.71073","MoKα","","0.04","0.03","","","0.0762","0.1068","","","","","","1.038","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063294","9.8739","0.0017","9.9752","0.0017","18.173","0.005","91.74","0.017","102.363","0.019","107.076","0.014","1663","0.6","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C31 H33 Mo O5 P S2 W -","- C31 H33 Mo O5 P S2 W -","- C62 H66 Mo2 O10 P2 S4 W2 -","2","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.0609","0.0401","","","0.106","0.1162","","","","","","1.051","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063295","25.9712","0.0013","27.1377","0.0012","17.1272","0.0009","90","","90","","90","","12071.2","1","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C29 H33 Mo O4 P S2 W -","- C29 H33 Mo O4 P S2 W -","- C464 H528 Mo16 O64 P16 S32 W16 -","16","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S‒S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","","0.71073","MoKα","","0.0456","0.037","","","0.0919","0.1215","","","","","","1.393","","","","has coordinates","209984","2020-10-21","18:00:00",""
"4063296","8.9691","0.0008","18.7791","0.0014","15.62","0.002","90","","93.421","0.01","90","","2626.2","0.5","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Mo O2 P S4 W -","- C23 H27 Mo O2 P S4 W -","- C92 H108 Mo4 O8 P4 S16 W4 -","4","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.0696","0.033","","","0.0777","0.0895","","","","","","1.038","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063297","9.1121","0.0015","18.788","0.005","18.277","0.004","90","0.014","102.191","0.013","90","0.012","3058.4","1.1","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Mo O2 P S4 W -","- C27 H35 Mo O2 P S4 W -","- C108 H140 Mo4 O8 P4 S16 W4 -","4","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.0836","0.0337","","","0.078","0.092","","","","","","0.965","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063298","18.9631","0.0004","11.1271","0.0002","17.4508","0.0004","90","","108.382","0.001","90","","3494.31","0.13","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 Mo O2 P S4 W -","- C31 H43 Mo O2 P S4 W -","- C124 H172 Mo4 O8 P4 S16 W4 -","4","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","","0.71073","MoKα","","0.0626","0.0451","","","0.1148","0.1543","","","","","","1.304","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063299","9.1712","0.0002","14.0212","0.0004","15.8563","0.0004","99.91","0.001","100.384","0.001","96.738","0.001","1952.37","0.09","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H51 Mo O2 P S4 W -","- C35 H51 Mo O2 P S4 W -","- C70 H102 Mo2 O4 P2 S8 W2 -","2","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","","0.71073","MoKα","","0.0727","0.0437","","","0.1085","0.1446","","","","","","1.134","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063300","9.6076","0.001","11.7122","0.0019","18.346","0.002","76.47","0.012","82.437","0.01","72.56","0.012","1910.7","0.4","298","2","298","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C38.5 H38 Mo O3 P2 S3 W -","- C38.5 H34 Mo O3 P2 S3 W -","- C77 H68 Mo2 O6 P4 S6 W2 -","2","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.0634","0.0304","","","0.0701","0.08","","","","","","1.022","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063301","9.598","0.002","12.536","0.004","17.096","0.005","104.7","0.02","90.86","0.02","106.21","0.02","1902.3","0.9","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C38 H40 Mo O3 P2 S3 W -","- C38 H40 Mo O3 P2 S3 W -","- C76 H80 Mo2 O6 P4 S6 W2 -","2","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.0713","0.0362","","","0.0869","0.0991","","","","","","1.023","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063302","12.4867","0.0004","17.7135","0.0005","19.7659","0.0006","90","","90","","90","","4371.9","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H52 Mo O3 P2 S3 W -","- C44 H52 Mo O3 P2 S3 W -","- C176 H208 Mo4 O12 P8 S12 W4 -","4","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","","0.71073","mokα","","0.0244","0.0209","","","0.0463","0.0468","","","","","","1.085","","","","has coordinates","189838","2020-10-21","18:00:00",""
"4063303","13.643","0.003","9.749","0.005","16.924","0.005","90","","112.97","0.02","90","","2072.4","1.2","293","2","293","2","","","","","","","synthesis as described","8","P 1 21 1","P 2yb","4","","","","- C36 H36 Cl2 Mo O3 P2 S2 W -","- C36 H36 Cl2 Mo O3 P2 S2 W -","- C72 H72 Cl4 Mo2 O6 P4 S4 W2 -","2","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.0422","0.0336","","","0.0802","0.0839","","","","","","1.033","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063304","9.721","0.003","11.854","0.005","12.338","0.003","83.09","0.03","84.05","0.02","87.81","0.03","1403.4","0.8","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C29 H33 Mo O2 P S2 W -","- C29 H33 Mo O2 P S2 W -","- C58 H66 Mo2 O4 P2 S4 W2 -","2","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.021","0.0175","","","0.0437","0.0449","","","","","","1.059","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063305","6.4332","0.0015","8.6245","0.0015","9.584","0.002","79.85","0.02","71.86","0.02","68.32","0.02","468.47","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1R(S),2S(R)-1,2-Bis(trichlorosilyl)-1,2-diphenylethane","","","- C7 H6 Cl3 Si -","- C7 H6 Cl3 Si -","- C14 H12 Cl6 Si2 -","2","1","","Seung-Hyun Kang; Joon Soo Han; Weon Cheol Lim; Il Nam Jung; Myong Euy Lee; Bok Ryul Yoo","Double Silylation of Olefin with HSiCl3 in the Presence of Bu4PCl. New Synthetic Method for α,β-Bis(trichlorosilyl)alkanes","Organometallics","2006","25","2","318","319","10.1021/om050880w","","","0.71073","MoKα","","0.0671","0.0667","","","0.1794","0.1798","","","","","","1.107","","","","has coordinates","120119","2020-10-21","18:00:00",""
"4063306","7.3377","0.0007","11.686","0.0013","13.4351","0.0016","66.42","0.012","85.705","0.013","86.313","0.012","1052.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Fe N O Se -","- C23 H27 Fe N O Se -","- C46 H54 Fe2 N2 O2 Se2 -","2","1","","Sangit Kumar; Harkesh B. Singh; Gotthelf Wolmershäuser","Protection against Peroxynitrite-Mediated Nitration Reaction by Intramolecularly Coordinated Diorganoselenides","Organometallics","2006","25","2","382","393","10.1021/om050353c","","","0.71073","MoKα","","0.055","0.0343","","","0.0709","0.0774","","","","","","0.772","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063307","7.4339","0.0007","10.4051","0.0012","14.8043","0.0016","83.841","0.013","81.238","0.012","78.814","0.012","1106.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Fe N O Se -","- C24 H29 Fe N O Se -","- C48 H58 Fe2 N2 O2 Se2 -","2","1","","Sangit Kumar; Harkesh B. Singh; Gotthelf Wolmershäuser","Protection against Peroxynitrite-Mediated Nitration Reaction by Intramolecularly Coordinated Diorganoselenides","Organometallics","2006","25","2","382","393","10.1021/om050353c","","","0.71073","MoKα","","0.0839","0.0412","","","0.0876","0.0965","","","","","","0.824","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063308","7.6049","0.0006","12.2227","0.001","15.1327","0.0012","90.729","0.01","93.247","0.01","104.268","0.01","1360.53","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H39 Fe N O Se -","- C29 H39 Fe N O Se -","- C58 H78 Fe2 N2 O2 Se2 -","2","1","","Sangit Kumar; Harkesh B. Singh; Gotthelf Wolmershäuser","Protection against Peroxynitrite-Mediated Nitration Reaction by Intramolecularly Coordinated Diorganoselenides","Organometallics","2006","25","2","382","393","10.1021/om050353c","","","0.71073","MoKα","","0.0532","0.0339","","","0.0758","0.0804","","","","","","0.912","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063309","7.4118","0.0008","10.4149","0.0012","14.604","0.0017","83.639","0.014","81.266","0.013","79.564","0.012","1091.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Fe N O S -","- C24 H29 Fe N O S -","- C48 H58 Fe2 N2 O2 S2 -","2","1","","Sangit Kumar; Harkesh B. Singh; Gotthelf Wolmershäuser","Protection against Peroxynitrite-Mediated Nitration Reaction by Intramolecularly Coordinated Diorganoselenides","Organometallics","2006","25","2","382","393","10.1021/om050353c","","","0.71073","MoKα","","0.0655","0.0509","","","0.1327","0.1421","","","","","","1.052","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063310","8.0669","0.0007","17.146","0.0018","19.849","0.002","91.56","0.013","90.312","0.012","98.494","0.012","2714.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H39 Fe N O S -","- C29 H39 Fe N O S -","- C116 H156 Fe4 N4 O4 S4 -","4","2","","Sangit Kumar; Harkesh B. Singh; Gotthelf Wolmershäuser","Protection against Peroxynitrite-Mediated Nitration Reaction by Intramolecularly Coordinated Diorganoselenides","Organometallics","2006","25","2","382","393","10.1021/om050353c","","","0.71073","MoKα","","0.1732","0.0577","","","0.1095","0.1399","","","","","","0.752","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063311","15.403","0.006","10.846","0.005","22.757","0.005","90","","105.33","0.02","90","","3666","2","200.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Mo O3 P2 Pt -","- C40 H35 Mo O3 P2 Pt -","- C160 H140 Mo4 O12 P8 Pt4 -","4","1","","Ayako Kuramoto; Kouhei Nakanishi; Tatsuya Kawabata; Nobuyuki Komine; Masafumi Hirano; Sanshiro Komiya","Palladium-Assisted Regioselective Olefin Insertion into and -Hydrogen Elimination of Hydrogen-Molybdenum and -Tungsten Bonds. Synthesis and Reactions of Heterodinuclear Hydrido Complexes of Palladium and Platinum with Molybdenum and Tungsten","Organometallics","2006","25","2","311","314","10.1021/om0506872","","","0.7107","MoKα","","","0.0994","","","","0.1465","","","","","","1.383","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063312","14.755","0.009","26.58","0.01","20.482","0.007","90","","99.16","0.04","90","","7930","6","240.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Mo O3 P2 Pt -","- C36 H34 Mo O3 P2 Pt -","- C288 H272 Mo8 O24 P16 Pt8 -","8","2","","Ayako Kuramoto; Kouhei Nakanishi; Tatsuya Kawabata; Nobuyuki Komine; Masafumi Hirano; Sanshiro Komiya","Palladium-Assisted Regioselective Olefin Insertion into and -Hydrogen Elimination of Hydrogen-Molybdenum and -Tungsten Bonds. Synthesis and Reactions of Heterodinuclear Hydrido Complexes of Palladium and Platinum with Molybdenum and Tungsten","Organometallics","2006","25","2","311","314","10.1021/om0506872","","","0.7107","MoKα","","","0.0725","","","","0.115","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063313","19.9767","0.0002","19.9099","0.0002","25.849","0.0002","90","","90","","90","","10281","0.2","295","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C61 H52 N2 O2 P3 Re -","- C61 H52 N2 O2 P3 Re -","- C488 H416 N16 O16 P24 Re8 -","8","1","","Nicoletta Mantovani; Paola Bergamini; Andrea Marchi; Lorenza Marvelli; Roberto Rossi; Valerio Bertolasi; Valeria Ferretti; Isaac de los Rios; Maurizio Peruzzini","Synthesis of Heterocyclic Ligands by Diheterocyclization at the Rhenium(I) Allenylidene [(triphos)(CO)2Re{C=C=CPh2}](OSO2CF3). 1. Reactivity with Dipolar N,N-Heterocycles","Organometallics","2006","25","2","416","426","10.1021/om050663v","","","0.7107","MoKα","","0.0935","0.0426","","","0.0857","0.1176","","","","","","1.157","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063314","10.7561","0.0001","18.3415","0.0002","20.4445","0.0002","68.8734","0.0004","83.3823","0.0004","81.3935","0.0006","3711.66","0.06","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C89 H76 B Cl2 N3 O2 P3 Re -","- C89 H76 B Cl2 N3 O2 P3 Re -","- C178 H152 B2 Cl4 N6 O4 P6 Re2 -","2","1","","Nicoletta Mantovani; Paola Bergamini; Andrea Marchi; Lorenza Marvelli; Roberto Rossi; Valerio Bertolasi; Valeria Ferretti; Isaac de los Rios; Maurizio Peruzzini","Synthesis of Heterocyclic Ligands by Diheterocyclization at the Rhenium(I) Allenylidene [(triphos)(CO)2Re{C=C=CPh2}](OSO2CF3). 1. Reactivity with Dipolar N,N-Heterocycles","Organometallics","2006","25","2","416","426","10.1021/om050663v","","","0.7107","MoKα","","0.0517","0.0354","","","0.076","0.0814","","","","","","1.032","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063315","13.6973","0.0002","14.306","0.0002","17.9666","0.0003","70.7666","0.0006","78.3629","0.0005","63.8146","0.0008","2976.36","0.08","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C65 H58 Cl4 N2 O2 P3 Re -","- C65 H54 Cl4 N2 O2 P3 Re -","- C130 H108 Cl8 N4 O4 P6 Re2 -","2","1","","Nicoletta Mantovani; Paola Bergamini; Andrea Marchi; Lorenza Marvelli; Roberto Rossi; Valerio Bertolasi; Valeria Ferretti; Isaac de los Rios; Maurizio Peruzzini","Synthesis of Heterocyclic Ligands by Diheterocyclization at the Rhenium(I) Allenylidene [(triphos)(CO)2Re{C=C=CPh2}](OSO2CF3). 1. Reactivity with Dipolar N,N-Heterocycles","Organometallics","2006","25","2","416","426","10.1021/om050663v","","","0.7107","MoKα","","0.0682","0.0556","","","0.151","0.1657","","","","","","1.075","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063316","12.9736","0.0002","18.6676","0.0003","18.9829","0.0003","117.56","0.0007","107.345","0.0008","93.815","0.0009","3775.1","0.1","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C89 H85 B N2 O4 P3 Re S -","- C89 H84 B N2 O4 P3 Re S -","- C178 H168 B2 N4 O8 P6 Re2 S2 -","2","1","","Nicoletta Mantovani; Paola Bergamini; Andrea Marchi; Lorenza Marvelli; Roberto Rossi; Valerio Bertolasi; Valeria Ferretti; Isaac de los Rios; Maurizio Peruzzini","Synthesis of Heterocyclic Ligands by Diheterocyclization at the Rhenium(I) Allenylidene [(triphos)(CO)2Re{C=C=CPh2}](OSO2CF3). 1. Reactivity with Dipolar N,N-Heterocycles","Organometallics","2006","25","2","416","426","10.1021/om050663v","","","0.7107","MoKα","","0.0706","0.0562","","","0.1422","0.1543","","","","","","1.189","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063317","13.7255","0.0002","14.2675","0.0002","17.4984","0.0003","71.042","0.0006","76.476","0.0007","61.324","0.0006","2830.74","0.08","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C61.5 H53 Cl N2 O2 P3 Re S -","- C61.5 H53 Cl N2 O2 P3 Re S -","- C123 H106 Cl2 N4 O4 P6 Re2 S2 -","2","1","","Nicoletta Mantovani; Paola Bergamini; Andrea Marchi; Lorenza Marvelli; Roberto Rossi; Valerio Bertolasi; Valeria Ferretti; Isaac de los Rios; Maurizio Peruzzini","Synthesis of Heterocyclic Ligands by Diheterocyclization at the Rhenium(I) Allenylidene [(triphos)(CO)2Re{C=C=CPh2}](OSO2CF3). 1. Reactivity with Dipolar N,N-Heterocycles","Organometallics","2006","25","2","416","426","10.1021/om050663v","","","0.7107","MoKα","","0.0553","0.0443","","","0.1061","0.1137","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063325","8.821","0.001","11.261","0.002","13.8","0.002","95.359","0.008","95.705","0.007","99.059","0.006","1338.7","0.3","223.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H33 F6 O3 P3 Pd -","- C18 H33 F6 O3 P3 Pd -","- C36 H66 F12 O6 P6 Pd2 -","2","1","","Seiji Ogo; Yoshitaka Takebe; Keiji Uehara; Takayuki Yamazaki; Hidetaka Nakai; Yoshihito Watanabe; Shunichi Fukuzumi","pH-Dependent C-C Coupling Reactions Catalyzed by Water-Soluble Palladacyclic Aqua Catalysts in Water","Organometallics","2006","25","2","331","338","10.1021/om0503592","","","0.7107","MoKα","","","0.0504","","","","0.1426","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063326","11.47","0.004","13.402","0.005","14.227","0.005","70.71","0.01","76.78","0.01","74","0.01","1961","1","223.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H48 B2 F8 O6 P2 Pd2 -","- C26 H48 B2 F8 O6 P2 Pd2 -","- C52 H96 B4 F16 O12 P4 Pd4 -","2","1","","Seiji Ogo; Yoshitaka Takebe; Keiji Uehara; Takayuki Yamazaki; Hidetaka Nakai; Yoshihito Watanabe; Shunichi Fukuzumi","pH-Dependent C-C Coupling Reactions Catalyzed by Water-Soluble Palladacyclic Aqua Catalysts in Water","Organometallics","2006","25","2","331","338","10.1021/om0503592","","","0.7107","MoKα","","","0.0644","","","","0.1806","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063327","14.202","0.006","11.287","0.004","19.757","0.008","90","","101.497","0.006","90","","3103","2","223.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl2 O2 P2 Pd2 -","- C26 H40 Cl2 O2 P2 Pd2 -","- C104 H160 Cl8 O8 P8 Pd8 -","4","1","","Seiji Ogo; Yoshitaka Takebe; Keiji Uehara; Takayuki Yamazaki; Hidetaka Nakai; Yoshihito Watanabe; Shunichi Fukuzumi","pH-Dependent C-C Coupling Reactions Catalyzed by Water-Soluble Palladacyclic Aqua Catalysts in Water","Organometallics","2006","25","2","331","338","10.1021/om0503592","","","0.7107","MoKα","","","0.0439","","","","0.0692","","","","","","0.85","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074110","12.2113","0.001","12.9698","0.001","14.6498","0.001","69.232","0.01","66.182","0.01","67.091","0.01","1900.8","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C30.5 H30 B9 Cl Cu Ir O5 P Re -","- C30.5 H30 B9 Cl Cu Ir O5 P Re -","- C61 H60 B18 Cl2 Cu2 Ir2 O10 P2 Re2 -","2","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.0969","0.0881","","","0.2233","0.2309","","","","","","1.155","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074111","16.9819","0.0015","14.8312","0.0013","19.622","0.0015","90","","91.699","0.005","90","","4939.9","0.7","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 B9 Cu2 Ir O3 P2 -","- C48 H50 B9 Cu2 Ir O3 P2 -","- C192 H200 B36 Cu8 Ir4 O12 P8 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.04","0.0264","","","0.058","0.0627","","","","","","1.02","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074112","10.943","0.0012","13.5989","0.0014","14.2374","0.0018","106.139","0.006","109.551","0.006","103.083","0.006","1794.5","0.4","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C30.5 H30 Au B9 Cl O5 P Re Rh -","- C30.5 H30 Au B9 Cl O5 P Re Rh -","- C61 H60 Au2 B18 Cl2 O10 P2 Re2 Rh2 -","2","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.0596","0.0392","","","0.0842","0.0938","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074113","13.2293","0.0007","18.9707","0.001","19.1492","0.0011","90","","100.396","0.002","90","","4727","0.4","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H45 Au2 B9 Cl O2 P2 Rh -","- C45.5 H45 Au2 B9 Cl O2 P2 Rh -","- C182 H180 Au8 B36 Cl4 O8 P8 Rh4 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.1224","0.0618","","","0.1022","0.1184","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074114","18.467","0.003","17.1872","0.0014","19.797","0.002","90","","115.338","0.009","90","","5679","1.3","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C50 H47 Au2 B9 Cl4 Ir O5 P2 Re -","- C50 H47 Au2 B9 Cl4 Ir O5 P2 Re -","- C200 H188 Au8 B36 Cl16 Ir4 O20 P8 Re4 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.0928","0.0531","","","0.1091","0.1243","","","","","","1.025","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074115","18.6109","0.0015","17.0445","0.0015","19.674","0.002","90","","115.685","0.003","90","","5624.2","0.9","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H55 Au2 B9 O5 P2 Re Rh -","- C53 H55 Au2 B9 O5 P2 Re Rh -","- C212 H220 Au8 B36 O20 P8 Re4 Rh4 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.1279","0.051","","","0.0776","0.0942","","","","","","0.952","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074116","12.7502","0.0005","13.0291","0.0005","20.5822","0.0009","89.977","0.002","78.276","0.002","83.68","0.002","3326.7","0.2","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H60 Au3 B9 Cl2 Ir O2 P3 -","- C64 H60 Au3 B9 Cl2 Ir O2 P3 -","- C128 H120 Au6 B18 Cl4 Ir2 O4 P6 -","2","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.0371","0.0269","","","0.0532","0.0568","","","","","","1.027","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074117","18.7506","0.0015","12.7722","0.0015","25.442","0.002","90","","94.055","0.004","90","","6077.8","1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H58 Au3 B9 O2 P3 Rh -","- C63 H58 Au3 B9 O2 P3 Rh -","- C252 H232 Au12 B36 O8 P12 Rh4 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.1069","0.0522","","","0.0698","0.0838","","","","","","0.978","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074118","8.2976","0.0009","9.9888","0.0012","12.2401","0.0015","102.199","0.014","105.149","0.014","110.023","0.013","868","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","Tris-{1,3-di(methyl)imidazol-2-ylidene}nickel(0)","","- C15 H24 N6 Ni -","- C15 H24 N6 Ni -","- C30 H48 N12 Ni2 -","2","1","","Schaub, Thomas; Backes, Marc; Radius, Udo","Nickel(0) Complexes of N-Alkyl-Substituted N-Heterocyclic Carbenes and Their Use in the Catalytic Carbon−Carbon Bond Activation of Biphenylene","Organometallics","2006","25","17","4196","","10.1021/om0604223","","","0.71073","MoKα","","0.0492","0.0363","","","0.0916","0.0985","","","","","","1.033","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074119","19.5585","0.001","13.4766","0.0006","9.7786","0.0013","90","","90","","90","","2577.5","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Bis-{1-methyl-3-isopropyl-imidazol-2-ylidene}(h2-diphenyl acethylene)nickel(0)","","- C28 H34 N4 Ni -","- C28 H34 N4 Ni -","- C112 H136 N16 Ni4 -","4","1","","Schaub, Thomas; Backes, Marc; Radius, Udo","Nickel(0) Complexes of N-Alkyl-Substituted N-Heterocyclic Carbenes and Their Use in the Catalytic Carbon−Carbon Bond Activation of Biphenylene","Organometallics","2006","25","17","4196","","10.1021/om0604223","","","0.71073","MoKα","","0.0666","0.0396","","","0.0728","0.0802","","","","","","0.982","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074120","11.706","0.002","9.935","0.002","19.644","0.004","90","","91.3","0.03","90","","2284","0.8","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis-{1,3-di(methyl)-imidazol-2-ylidene}(biphenylendiyl)nickel(0)","","- C23 H26 Cl2 N4 Ni -","- C23 H26 Cl2 N4 Ni -","- C92 H104 Cl8 N16 Ni4 -","4","1","","Schaub, Thomas; Backes, Marc; Radius, Udo","Nickel(0) Complexes of N-Alkyl-Substituted N-Heterocyclic Carbenes and Their Use in the Catalytic Carbon−Carbon Bond Activation of Biphenylene","Organometallics","2006","25","17","4196","","10.1021/om0604223","","","0.71073","MoKα","","0.1004","0.0449","","","0.0873","0.0986","","","","","","0.811","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074121","26.8026","0.0013","26.8026","0.0013","9.9436","0.0005","90","","90","","90","","7143.3","0.6","203","2","203","2","","","","","","","","2","I 41/a :2","-I 4ad","88","9,10 diphenyl phenanthrene","9,10-di(phanyl)phenanthrene","","- C26 H18 -","- C26 H18 -","- C416 H288 -","16","1","","Schaub, Thomas; Backes, Marc; Radius, Udo","Nickel(0) Complexes of N-Alkyl-Substituted N-Heterocyclic Carbenes and Their Use in the Catalytic Carbon−Carbon Bond Activation of Biphenylene","Organometallics","2006","25","17","4196","","10.1021/om0604223","","","0.71073","MoKα","","0.0969","0.046","","","0.0963","0.1151","","","","","","0.947","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074122","15.974","0.003","16.264","0.003","21.793","0.004","98.42","0.03","91.06","0.03","90.03","0.03","5599.8","1.8","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","Bis-{1,3-di(isopropyl)-imidazol-2-ylidene}(h2-dimethyl acethylene)nickel(0)","","- C22 H38 N4 Ni -","- C22 H38 N4 Ni -","- C176 H304 N32 Ni8 -","8","4","","Schaub, Thomas; Backes, Marc; Radius, Udo","Nickel(0) Complexes of N-Alkyl-Substituted N-Heterocyclic Carbenes and Their Use in the Catalytic Carbon−Carbon Bond Activation of Biphenylene","Organometallics","2006","25","17","4196","","10.1021/om0604223","","","0.71073","MoKα","","0.1433","0.1003","","","0.2691","0.3106","","","","","","1.04","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074123","11.041","0.004","14.857","0.005","13.732","0.005","90","","110.5","0.05","90","","2109.9","1.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Ni -","- C14 H14 Ni -","- C112 H112 Ni8 -","8","2","","Buchowicz, Włodzimierz; Jerzykiewicz, Lucjan B.; Krasińska, Anna; Losi, Serena; Pietrzykowski, Antoni; Zanello, Piero","ansa-Nickelocenes by the Ring-Closing Metathesis Route: Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","21","5076","","10.1021/om060423v","","","0.71073","MoKα","","0.0844","0.0352","","","0.0833","0.0981","","","","","","0.956","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074124","16.487","0.005","7.617","0.004","10.6","0.004","90","","108.05","0.03","90","","1265.7","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Ni2 -","- C32 H36 Ni2 -","- C64 H72 Ni4 -","2","0.5","","Buchowicz, Włodzimierz; Jerzykiewicz, Lucjan B.; Krasińska, Anna; Losi, Serena; Pietrzykowski, Antoni; Zanello, Piero","ansa-Nickelocenes by the Ring-Closing Metathesis Route: Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","21","5076","","10.1021/om060423v","","","0.71073","MoKα","","0.0507","0.04","","","0.1005","0.1026","","","","","","1.222","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074125","9.197","0.003","9.923","0.004","20.785","0.004","90","","90","","90","","1896.9","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","chloro-methyl-(2,2-bis[(4S)-(4,5-dihydro)-4-(1-methylethyl)‒1,3- oxazol-2yl]propane,N,N')-palladium(II)","","- C16 H29 Cl N2 O2 Pd -","- C16 H29 Cl N2 O2 Pd -","- C64 H116 Cl4 N8 O8 Pd4 -","4","1","","Schätz, Alexander; Scarel, Alessandro; Zangrando, Ennio; Mosca, Luca; Carfagna, Carla; Gissibl, Anja; Milani, Barbara; Reiser, Oliver","High Stereocontrol and Efficiency in CO/Styrene Polyketone Synthesis Promoted by Azabis(oxazoline)−Palladium Complexes","Organometallics","2006","25","17","4065","","10.1021/om060424n","","","0.71073","Mokα","","0.0556","0.0349","","","0.0691","0.0743","","","","","","0.981","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074126","9.944","0.003","11.18","0.003","16.186","0.005","90","","90","","90","","1799.5","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","chloro-methyl-bis[(4S)-(4,5-dihydro)-4-(1-methylethyl)- -1,3-oxazol-2yl,N,N']methylamine-palladium(II)","","- C14 H26 Cl N3 O2 Pd -","- C14 H26 Cl N3 O2 Pd -","- C56 H104 Cl4 N12 O8 Pd4 -","4","1","","Schätz, Alexander; Scarel, Alessandro; Zangrando, Ennio; Mosca, Luca; Carfagna, Carla; Gissibl, Anja; Milani, Barbara; Reiser, Oliver","High Stereocontrol and Efficiency in CO/Styrene Polyketone Synthesis Promoted by Azabis(oxazoline)−Palladium Complexes","Organometallics","2006","25","17","4065","","10.1021/om060424n","","","0.71073","Mokα","","0.0681","0.0512","","","0.1283","0.1357","","","","","","0.95","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074127","9.361","0.001","19.117","0.001","34.323","0.001","90","","95.72","0.01","90","","6111.7","0.8","198","2","198","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Zr -","- C26 H28 Zr -","- C312 H336 Zr12 -","12","3","","Chen, Liyi; Nie, Wan-Li; Paradies, Jan; Kehr, Gerald; Fröhlich, Roland; Wedeking, Katrin; Erker, Gerhard","Insertion Reactions at Cyclobutylene-Bridgedansa-Metallocene Complexes: A Quest for the Influence of Covering Phenylene Units","Organometallics","2006","25","22","5333","","10.1021/om0604268","","","0.71073","MoKα","","0.0716","0.0409","","","0.0879","0.0976","","","","","","1.039","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074128","14.611","0.001","9.583","0.001","18.948","0.001","90","","90.62","0.01","90","","2652.9","0.4","198","2","198","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Zr -","- C36 H32 Zr -","- C144 H128 Zr4 -","4","1","","Chen, Liyi; Nie, Wan-Li; Paradies, Jan; Kehr, Gerald; Fröhlich, Roland; Wedeking, Katrin; Erker, Gerhard","Insertion Reactions at Cyclobutylene-Bridgedansa-Metallocene Complexes: A Quest for the Influence of Covering Phenylene Units","Organometallics","2006","25","22","5333","","10.1021/om0604268","","","0.71073","MoKα","","0.0784","0.0508","","","0.107","0.117","","","","","","1.02","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074129","16.358","0.001","19.86","0.001","16.023","0.001","90","","93.6","0.01","90","","5195.1","0.5","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 N Zr -","- C31 H37 N Zr -","- C248 H296 N8 Zr8 -","8","2","","Chen, Liyi; Nie, Wan-Li; Paradies, Jan; Kehr, Gerald; Fröhlich, Roland; Wedeking, Katrin; Erker, Gerhard","Insertion Reactions at Cyclobutylene-Bridgedansa-Metallocene Complexes: A Quest for the Influence of Covering Phenylene Units","Organometallics","2006","25","22","5333","","10.1021/om0604268","","","0.71073","MoKα","","0.0471","0.04","","","0.1073","0.1132","","","","","","0.992","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074130","18.133","0.001","18.133","0.001","15.654","0.001","90","","90","","120","","4457.5","0.4","198","2","198","2","","","","","","","","5","P -3","-P 3","147","","","","- C38.33 H35.33 N0.22 O Zr -","- C38.34 H35.35 N0.223333 O Zr -","- C230.04 H212.1 N1.34 O6 Zr6 -","6","1","","Chen, Liyi; Nie, Wan-Li; Paradies, Jan; Kehr, Gerald; Fröhlich, Roland; Wedeking, Katrin; Erker, Gerhard","Insertion Reactions at Cyclobutylene-Bridgedansa-Metallocene Complexes: A Quest for the Influence of Covering Phenylene Units","Organometallics","2006","25","22","5333","","10.1021/om0604268","","","0.71073","MoKα","","0.0611","0.0403","","","0.0922","0.1002","","","","","","1.043","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074131","14.7241","0.0012","6.7216","0.0004","18.7794","0.0015","90","","108.099","0.007","90","","1766.6","0.2","140","2","140","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound 1","","","- C19 H8 F10 Zn -","- C19 H8 F10 Zn -","- C76 H32 F40 Zn4 -","4","1","","Guerrero, Antonio; Martin, Eddy; Hughes, David L.; Kaltsoyannis, Nikolas; Bochmann, Manfred","Zinc(II) η1- and η2-Toluene Complexes: Structure and Bonding in Zn(C6F5)2·(toluene) and Zn(C6F4-2-C6F5)2·(toluene)","Organometallics","2006","25","14","3311","","10.1021/om060429k","","","0.71073","Mo-Kα","","0.0329","0.0235","","","0.0615","0.0635","","","","","","1.053","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074132","10.5464","0.0012","11.5033","0.0012","12.2157","0.0016","78.844","0.01","77.811","0.01","74.448","0.01","1380.7","0.3","180","1","180","1","","","","","","","","4","P -1","-P 1","2","Compound 2","","","- C31 H8 F18 Zn -","- C31 H8 F18 Zn -","- C62 H16 F36 Zn2 -","2","1","","Guerrero, Antonio; Martin, Eddy; Hughes, David L.; Kaltsoyannis, Nikolas; Bochmann, Manfred","Zinc(II) η1- and η2-Toluene Complexes: Structure and Bonding in Zn(C6F5)2·(toluene) and Zn(C6F4-2-C6F5)2·(toluene)","Organometallics","2006","25","14","3311","","10.1021/om060429k","","","0.71073","Mo-Kα","","0.0552","0.0374","","","0.0861","0.0908","","","","","","0.933","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074133","14.01","0.007","25.638","0.016","15.42","0.009","90","","94.33","0.03","90","","5523","5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H47 B2 F24 P3 Ru -","- C46 H47 B2 F24 P3 Ru -","- C184 H188 B8 F96 P12 Ru4 -","4","1","","Kawano, Yasuro; Hashiva, Masahiro; Shimoi, Mamoru","Syntheses and Reactivity of Cationic Borane−Ruthenium Complexes [(η5-C5R5)Ru(PMe3)2(η1-BH3·EMe3)][BArf4] (R = H, Me; E = N, P; BArf4= [B{3,5-C6H3(CF3)2}4])","Organometallics","2006","25","18","4420","","10.1021/om0604324","","","0.71075","MoKα","","0.0691","0.0486","","0.1494","0.138","","","","1.009","1.117","1.117","","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074134","12.668","0.003","12.786","0.003","37.507","0.006","90","","100.204","0.007","90","","5979","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H57 B2 F24 P3 Ru -","- C51 H57 B2 F24 P3 Ru -","- C204 H228 B8 F96 P12 Ru4 -","4","1","","Kawano, Yasuro; Hashiva, Masahiro; Shimoi, Mamoru","Syntheses and Reactivity of Cationic Borane−Ruthenium Complexes [(η5-C5R5)Ru(PMe3)2(η1-BH3·EMe3)][BArf4] (R = H, Me; E = N, P; BArf4= [B{3,5-C6H3(CF3)2}4])","Organometallics","2006","25","18","4420","","10.1021/om0604324","","","0.71075","MoKα","","0.1036","0.0619","","","0.1547","0.1795","","","","","","1.029","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074135","13.281","0.004","13.699","0.004","15.245","0.004","90.169","0.011","106.835","0.012","95.719","0.011","2640.1","1.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H47 B2 F24 N P2 Ru -","- C46 H47 B2 F24 N P2 Ru -","- C92 H94 B4 F48 N2 P4 Ru2 -","2","1","","Kawano, Yasuro; Hashiva, Masahiro; Shimoi, Mamoru","Syntheses and Reactivity of Cationic Borane−Ruthenium Complexes [(η5-C5R5)Ru(PMe3)2(η1-BH3·EMe3)][BArf4] (R = H, Me; E = N, P; BArf4= [B{3,5-C6H3(CF3)2}4])","Organometallics","2006","25","18","4420","","10.1021/om0604324","","","0.71075","MoKα","","0.0421","0.0348","","","0.1019","0.111","","","","","","1.057","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074136","11.0537","0.0011","14.0758","0.0015","14.711","0.0014","90","","98.25","0.012","90","","2265.2","0.4","180","2","180","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H4 B2 F30 N4 -","- C48 H4 B2 F30 N4 -","- C96 H8 B4 F60 N8 -","2","0.5","","Choukroun, Robert; Lorber, Christian; de Caro, Dominique; Vendier, Laure","B(C6F5)3Adducts of TCNE− and TCNQ−Vanadium Complexes as New Building Blocks for Molecule-Based Magnets","Organometallics","2006","25","18","4243","","10.1021/om060433w","","","","MoKα","","0.132","0.0593","","","0.1654","0.1895","","","","","","1.001","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074137","13.93","0.002","15.254","0.0018","16.058","0.002","88.542","0.01","79.395","0.013","82.774","0.012","3327.2","0.8","180","","180","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C70 H28 B2 F30 N4 O0.5 V2 -","- C70 H28 B2 F30 N4 O0.5 V2 -","- C140 H56 B4 F60 N8 O V4 -","2","1","","Choukroun, Robert; Lorber, Christian; de Caro, Dominique; Vendier, Laure","B(C6F5)3Adducts of TCNE− and TCNQ−Vanadium Complexes as New Building Blocks for Molecule-Based Magnets","Organometallics","2006","25","18","4243","","10.1021/om060433w","","","0.71073","MoKα","","0.1237","0.057","","","0.1388","0.1588","","","","","","0.927","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074138","10.1253","0.0012","15.1603","0.0015","22.893","0.002","87.206","0.008","83.185","0.009","82.498","0.009","3457.5","0.6","180","","180","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C76 H36 B2 F30 N4 V2 -","- C76 H36 B2 F30 N4 V2 -","- C152 H72 B4 F60 N8 V4 -","2","1","","Choukroun, Robert; Lorber, Christian; de Caro, Dominique; Vendier, Laure","B(C6F5)3Adducts of TCNE− and TCNQ−Vanadium Complexes as New Building Blocks for Molecule-Based Magnets","Organometallics","2006","25","18","4243","","10.1021/om060433w","","","","MoKα","","0.1145","0.0545","","","0.1257","0.1485","","","","","","0.878","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074139","14.014","0.002","14.414","0.002","16.177","0.003","68.269","0.015","85.017","0.012","80.614","0.013","2993.6","0.9","180","","180","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C120 H52 B4 F60 N8 O4 V2 -","- C120 H52 B4 F60 N8 O4 V2 -","- C120 H52 B4 F60 N8 O4 V2 -","1","0.5","","Choukroun, Robert; Lorber, Christian; de Caro, Dominique; Vendier, Laure","B(C6F5)3Adducts of TCNE− and TCNQ−Vanadium Complexes as New Building Blocks for Molecule-Based Magnets","Organometallics","2006","25","18","4243","","10.1021/om060433w","","","","MoKα","","0.2305","0.0797","","","0.1618","0.225","","","","","","0.896","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074140","20.333","0.001","13.0569","0.0007","19.096","0.001","90","","102.624","0.001","90","","4947.2","0.4","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 B F3 N8 O4 P S W -","- C15 H23 B F3 N8 O4 P S W -","- C120 H184 B8 F24 N64 O32 P8 S8 W8 -","8","2","","Lis, Jr., Edward C.; Delafuente, David A.; Lin, Yunqing; Mocella, Christopher J.; Todd, Michael A.; Liu, Weijun; Sabat, Michal; Myers, William H.; Harman, W. Dean","The Uncommon Reactivity of Dihapto-Coordinated Nitrile, Ketone, and Alkene Ligands When Bound to a Powerful π-Base","Organometallics","2006","25","21","5051","5058","10.1021/om060434o","","","0.71073","MoKα","","0.0381","0.0311","","","0.0774","0.079","","","","","","0.968","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074141","7.9609","0.0004","13.6846","0.0007","24.5781","0.0013","90","","93.831","0.001","90","","2671.6","0.2","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 B F3 Mo N9 O5 S -","- C18 H25 B F3 Mo N9 O5 S -","- C72 H100 B4 F12 Mo4 N36 O20 S4 -","4","1","","Lis, Jr., Edward C.; Delafuente, David A.; Lin, Yunqing; Mocella, Christopher J.; Todd, Michael A.; Liu, Weijun; Sabat, Michal; Myers, William H.; Harman, W. Dean","The Uncommon Reactivity of Dihapto-Coordinated Nitrile, Ketone, and Alkene Ligands When Bound to a Powerful π-Base","Organometallics","2006","25","21","5051","5058","10.1021/om060434o","","","0.71073","MoKα","","0.0609","0.0447","","","0.1012","0.1077","","","","","","1.043","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074142","10.0685","0.0006","7.6424","0.0005","17.0127","0.001","90","","99.351","0.001","90","","1291.69","0.14","153","2","153","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C22 H26 B Br Mo N10 O -","- C22 H26 B Br Mo N10 O -","- C44 H52 B2 Br2 Mo2 N20 O2 -","2","1","","Lis, Jr., Edward C.; Delafuente, David A.; Lin, Yunqing; Mocella, Christopher J.; Todd, Michael A.; Liu, Weijun; Sabat, Michal; Myers, William H.; Harman, W. Dean","The Uncommon Reactivity of Dihapto-Coordinated Nitrile, Ketone, and Alkene Ligands When Bound to a Powerful π-Base","Organometallics","2006","25","21","5051","5058","10.1021/om060434o","","","0.71073","MoKα","","0.0325","0.0313","","","0.0759","0.0766","","","","","","1.074","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074143","18.2222","0.0011","9.7499","0.0006","15.4929","0.001","90","","90","","90","","2752.5","0.3","153","2","153","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C22 H31 B Br N8 O P W -","- C22 H31 B Br N8 O P W -","- C88 H124 B4 Br4 N32 O4 P4 W4 -","4","1","","Lis, Jr., Edward C.; Delafuente, David A.; Lin, Yunqing; Mocella, Christopher J.; Todd, Michael A.; Liu, Weijun; Sabat, Michal; Myers, William H.; Harman, W. Dean","The Uncommon Reactivity of Dihapto-Coordinated Nitrile, Ketone, and Alkene Ligands When Bound to a Powerful π-Base","Organometallics","2006","25","21","5051","5058","10.1021/om060434o","","","0.71073","MoKα","","0.0513","0.037","","","0.0748","0.0779","","","","","","0.937","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074144","11.167","0.002","6.579","0.001","11.698","0.002","90","","109.232","0.005","90","","811.5","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 I Mn O6 -","- C14 H14 I Mn O6 -","- C28 H28 I2 Mn2 O12 -","2","1","","Ferber, Benoît; Top, Siden; Vessières, Anne; Welter, Richard; Jaouen, Gérard","Synthesis of Optically Pureo-Formylcyclopentadienyl Metal Complexes of 17α-Ethynylestradiol. Recognition of the Planar Chirality by the Estrogen Receptor","Organometallics","2006","25","24","5730","","10.1021/om060438t","","","0.71069","MoKα","","0.0295","0.0275","","","0.0839","0.0935","","","","","","1.022","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074145","9.409","0.001","13.163","0.003","20.138","0.003","90","","90","","90","","2494.1","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Fe O3 -","- C31 H32 Fe O3 -","- C124 H128 Fe4 O12 -","4","1","","Ferber, Benoît; Top, Siden; Vessières, Anne; Welter, Richard; Jaouen, Gérard","Synthesis of Optically Pureo-Formylcyclopentadienyl Metal Complexes of 17α-Ethynylestradiol. Recognition of the Planar Chirality by the Estrogen Receptor","Organometallics","2006","25","24","5730","","10.1021/om060438t","","","0.71069","MoKα","","0.0775","0.0416","","","0.0939","0.1032","","","","","","0.941","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074146","13.403","0.002","26.561","0.004","18.492","0.003","90","","106.155","0.003","90","","6323.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Ni(η^3^-Allyl)(CH~3~CN)(κ^1^-C~3~H~2~N~2~(Ph^i^Pr~2~)~2~].BAr^F^~4~","","- C64 H56 B F24 N3 Ni -","- C64 H56 B F24 N3 Ni -","- C256 H224 B4 F96 N12 Ni4 -","4","1","","Cámpora, Juan; Ortiz de la Tabla, Laura; Palma, Pilar; Álvarez, Eleuterio; Lahoz, Fernando; Mereiter, Kurt","Synthesis and Catalytic Activity of Cationic Allyl Complexes of Nickel Stabilized by a Single N-Heterocyclic Carbene Ligand","Organometallics","2006","25","14","3314","","10.1021/om060439l","","","0.71073","MoKα","","0.0679","0.047","","","0.1117","0.1317","","","","","","1.086","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074147","18.194","0.002","12.0772","0.0016","21.616","0.003","90","","90.556","0.003","90","","4749.5","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 B F24 N3 Ni -","- C44 H32 B F24 N3 Ni -","- C176 H128 B4 F96 N12 Ni4 -","4","1","","Cámpora, Juan; Ortiz de la Tabla, Laura; Palma, Pilar; Álvarez, Eleuterio; Lahoz, Fernando; Mereiter, Kurt","Synthesis and Catalytic Activity of Cationic Allyl Complexes of Nickel Stabilized by a Single N-Heterocyclic Carbene Ligand","Organometallics","2006","25","14","3314","","10.1021/om060439l","","","0.6894","synchrotron","","0.0661","0.0563","","","0.1536","0.1629","","","","","","1.056","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074148","9.2864","0.0004","12.4236","0.0008","15.9816","0.001","90.425","0.002","93.094","0.002","107.684","0.002","1753.57","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H47 Fe N3 -","- C43 H47 Fe N3 -","- C86 H94 Fe2 N6 -","2","1","","Archer, Andrew M.; Bouwkamp, Marco W.; Cortez, Maria-Patricia; Lobkovsky, Emil; Chirik, Paul J.","Arene Coordination in Bis(imino)pyridine Iron Complexes: Identification of Catalyst Deactivation Pathways in Iron-Catalyzed Hydrogenation and Hydrosilation","Organometallics","2006","25","18","4269","","10.1021/om060441c","","","0.71073","MoKα","","0.0477","0.0361","","","0.0956","0.1024","","","","","","1.021","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074149","11.6996","0.0018","13.064","0.0019","25.007","0.004","90","","98.013","0.004","90","","3784.8","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Fe N7 -","- C43 H47 Fe N7 -","- C172 H188 Fe4 N28 -","4","1","","Archer, Andrew M.; Bouwkamp, Marco W.; Cortez, Maria-Patricia; Lobkovsky, Emil; Chirik, Paul J.","Arene Coordination in Bis(imino)pyridine Iron Complexes: Identification of Catalyst Deactivation Pathways in Iron-Catalyzed Hydrogenation and Hydrosilation","Organometallics","2006","25","18","4269","","10.1021/om060441c","","","0.71073","MoKα","","0.1361","0.0515","","","0.1001","0.1303","","","","","","0.963","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074150","14.1002","0.0005","11.0839","0.0005","27.5264","0.001","90","","109.464","0.002","90","","4056.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Fe N3 -","- C48 H59 Fe N3 -","- C192 H236 Fe4 N12 -","4","1","","Archer, Andrew M.; Bouwkamp, Marco W.; Cortez, Maria-Patricia; Lobkovsky, Emil; Chirik, Paul J.","Arene Coordination in Bis(imino)pyridine Iron Complexes: Identification of Catalyst Deactivation Pathways in Iron-Catalyzed Hydrogenation and Hydrosilation","Organometallics","2006","25","18","4269","","10.1021/om060441c","","","0.71073","MoKα","","0.0689","0.0447","","","0.1142","0.1288","","","","","","1.023","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074151","38.6251","0.0016","38.6251","0.0016","15.0965","0.0006","90","","90","","120","","19505","1.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H36 Cl O12 P2 Rh -","- C42 H36 Cl O12 P2 Rh -","- C756 H648 Cl18 O216 P36 Rh18 -","18","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.1065","0.0789","","","0.2199","0.2446","","","","","","1.03","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074152","10.8432","0.0009","11.2454","0.0009","17.9078","0.0015","105.394","0.001","90.398","0.001","107.279","0.001","2001.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 F2 O10 P3 Rh -","- C42 H36 F2 O10 P3 Rh -","- C84 H72 F4 O20 P6 Rh2 -","2","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.0934","0.0725","","","0.1558","0.1655","","","","","","1.076","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074153","10.5971","0.0009","13.9524","0.0012","16.587","0.0014","74.722","0.001","84.604","0.002","70.769","0.001","2233.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H38 Cl2 F3 O11 P2 Rh S -","- C44 H38 Cl2 F3 O11 P2 Rh S -","- C88 H76 Cl4 F6 O22 P4 Rh2 S2 -","2","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.1087","0.0748","","","0.1251","0.1354","","","","","","1.128","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074154","11.875","0.003","17.555","0.005","24.061","0.007","90","","90","","90","","5016","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H45 Cl2 O11 P2 Rh S -","- C50 H45 Cl2 O11 P2 Rh S -","- C200 H180 Cl8 O44 P8 Rh4 S4 -","4","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.296","0.078","","","0.1451","0.2147","","","","","","0.93","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074155","10.669","0.002","14.186","0.003","16.885","0.003","65.795","0.004","85.774","0.004","70.863","0.004","2196.6","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 F6 O8 P2 Rh Sb -","- C42 H36 F6 O8 P2 Rh Sb -","- C84 H72 F12 O16 P4 Rh2 Sb2 -","2","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.1531","0.0943","","","0.2578","0.3001","","","","","","1.022","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074156","12.8338","0.0008","13.2592","0.0009","17.1585","0.0011","94.6","0.001","99.863","0.001","116.234","0.001","2539.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H56 F6 O10 P2 Rh Sb -","- C50 H56 F6 O10 P2 Rh Sb -","- C100 H112 F12 O20 P4 Rh2 Sb2 -","2","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.0549","0.0377","","","0.0808","0.0867","","","","","","1.026","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074157","17.96","0.005","11.306","0.003","23.267","0.007","90","","105.502","0.005","90","","4553","2","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C48 H40 B F4 O8 P2 Rh -","- C48 H40 B F4 O8 P2 Rh -","- C192 H160 B4 F16 O32 P8 Rh4 -","4","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.1886","0.1212","","","0.2917","0.3183","","","","","","1.067","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074158","18.0127","0.0007","9.3522","0.0004","20.0134","0.0007","90","","90","","90","","3371.4","0.2","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C16 H40 O4 Zn4 -","- C16 H44 O4 Zn4 -","- C64 H176 O16 Zn16 -","4","0.25","","Marciniak, Wojciech; Merz, Klaus; Moreno, Mariluna; Driess, Matthias","Convenient Access to Homo- and Heterobimetallic Alkoxo Hydridozinc Clusters of Formula [(HZnOtBu)4-n(LiOtBu)n] (n= 0, 1, 2, 3)","Organometallics","2006","25","21","4931","","10.1021/om060443x","","","0.71073","MoKα","","0.0529","0.0459","","","0.1053","0.108","","","","","","1.133","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074159","17.032","0.007","10.316","0.004","19.501","0.008","90","","107.314","0.009","90","","3271","2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H55 Li O6 Zn3 -","- C24 H55 Li O6 Zn3 -","- C96 H220 Li4 O24 Zn12 -","4","1","","Marciniak, Wojciech; Merz, Klaus; Moreno, Mariluna; Driess, Matthias","Convenient Access to Homo- and Heterobimetallic Alkoxo Hydridozinc Clusters of Formula [(HZnOtBu)4-n(LiOtBu)n] (n= 0, 1, 2, 3)","Organometallics","2006","25","21","4931","","10.1021/om060443x","","","0.71073","MoKα","","0.0481","0.0387","","","0.104","0.1118","","","","","","1.011","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074160","11.0383","0.0003","16.4529","0.0005","17.3925","0.0006","90","","92.934","0.001","90","","3154.55","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Li2 O6 Zn2 -","- C24 H54 Li2 O6 Zn2 -","- C96 H216 Li8 O24 Zn8 -","4","1","","Marciniak, Wojciech; Merz, Klaus; Moreno, Mariluna; Driess, Matthias","Convenient Access to Homo- and Heterobimetallic Alkoxo Hydridozinc Clusters of Formula [(HZnOtBu)4-n(LiOtBu)n] (n= 0, 1, 2, 3)","Organometallics","2006","25","21","4931","","10.1021/om060443x","","","0.71073","MoKα","","0.0873","0.0481","","","0.0954","0.1102","","","","","","0.989","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074161","10.1859","0.0004","24.8508","0.0009","14.1455","0.0004","90","","96.14","0.002","90","","3560.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H61 Li3 O7 Zn -","- C28 H61 Li3 O7 Zn -","- C112 H244 Li12 O28 Zn4 -","4","1","","Marciniak, Wojciech; Merz, Klaus; Moreno, Mariluna; Driess, Matthias","Convenient Access to Homo- and Heterobimetallic Alkoxo Hydridozinc Clusters of Formula [(HZnOtBu)4-n(LiOtBu)n] (n= 0, 1, 2, 3)","Organometallics","2006","25","21","4931","","10.1021/om060443x","","","0.71073","MoKα","","0.1396","0.0617","","","0.1105","0.1353","","","","","","1.014","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074162","9.686","0.005","11.236","0.005","14.713","0.005","90","0.005","90","0.005","90","0.005","1601.2","1.2","293","2","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","","","","- C14 H25 Br N2 Ni -","- C14 H25 Br N2 Ni -","- C56 H100 Br4 N8 Ni4 -","4","1","","Silva, Leonel C.; Gomes, Pedro T.; Veiros, Luis F.; Pascu, Sofia I.; Duarte, M. Teresa; Namorado, Sónia; Ascenso, José R.; Dias, Alberto R.","Synthesis, Structure, and Solution Dynamics of Neutral Allylnickel Complexes of N-Heterocyclic Carbenes","Organometallics","2006","25","18","4391","","10.1021/om060444p","","","0.71069","MoKα","","0.1587","0.063","","","0.0777","0.093","","","","","","0.945","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074163","7.982","0.005","8.862","0.005","10.303","0.005","112.019","0.005","100.553","0.005","102.16","0.005","632.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H17 I N2 Ni -","- C9.625 H16.625 I N2 Ni -","- C19.25 H33.25 I2 N4 Ni2 -","2","1","","Silva, Leonel C.; Gomes, Pedro T.; Veiros, Luis F.; Pascu, Sofia I.; Duarte, M. Teresa; Namorado, Sónia; Ascenso, José R.; Dias, Alberto R.","Synthesis, Structure, and Solution Dynamics of Neutral Allylnickel Complexes of N-Heterocyclic Carbenes","Organometallics","2006","25","18","4391","","10.1021/om060444p","","","0.71069","MoKα","","0.0432","0.0319","","","0.0744","0.0778","","","","","","1.05","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074164","20.265","0.005","8.471","0.002","14.144","0.004","90","","93.703","0.004","90","","2423","1.1","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H17 Br N2 Ni -","- C10 H17 Br N2 Ni -","- C80 H136 Br8 N16 Ni8 -","8","1","","Silva, Leonel C.; Gomes, Pedro T.; Veiros, Luis F.; Pascu, Sofia I.; Duarte, M. Teresa; Namorado, Sónia; Ascenso, José R.; Dias, Alberto R.","Synthesis, Structure, and Solution Dynamics of Neutral Allylnickel Complexes of N-Heterocyclic Carbenes","Organometallics","2006","25","18","4391","","10.1021/om060444p","","","0.6904","synchrotron","","0.0408","0.0345","","0.0444","0.0434","0.0434","","","","","","1.0257","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074165","7.2153","0.0019","8.362","0.002","9.324","0.003","90","","103.351","0.012","90","","547.4","0.3","180","","180","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H13 I N2 Ni -","- C8 H13 I N2 Ni -","- C16 H26 I2 N4 Ni2 -","2","0.5","","Silva, Leonel C.; Gomes, Pedro T.; Veiros, Luis F.; Pascu, Sofia I.; Duarte, M. Teresa; Namorado, Sónia; Ascenso, José R.; Dias, Alberto R.","Synthesis, Structure, and Solution Dynamics of Neutral Allylnickel Complexes of N-Heterocyclic Carbenes","Organometallics","2006","25","18","4391","","10.1021/om060444p","","","0.71073","MoKα","","0.1798","0.1451","","0.1286","0.1128","0.1128","","","","","","1.2114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074166","21.854","0.004","17.372","0.004","14.901","0.003","90","","90","","90","","5657","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C69 H65 N4 Rh Si -","- C69 H65 N4 Rh Si -","- C276 H260 N16 Rh4 Si4 -","4","1","","Zhang, Lirong; Chan, Kin Shing","Facile Synthesis of Rhodium(III) Porphyrin Silyls by Silicon−Hydrogen Bond Activation with Rhodium(III) Porphyrin Halides and Methyls","Organometallics","2006","25","20","4822","","10.1021/om0604472","","","0.71073","MoKα","","0.086","0.0664","","","0.1418","0.1512","","","","","","1.105","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074167","28.4903","0.0014","28.4903","0.0014","14.7397","0.0016","90","","90","","90","","11964.2","1.5","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C64 H65 N4 O Rh Si -","- C64 H63 N4 O Rh Si -","- C512 H504 N32 O8 Rh8 Si8 -","8","1","","Zhang, Lirong; Chan, Kin Shing","Facile Synthesis of Rhodium(III) Porphyrin Silyls by Silicon−Hydrogen Bond Activation with Rhodium(III) Porphyrin Halides and Methyls","Organometallics","2006","25","20","4822","","10.1021/om0604472","","","0.71073","MoKα","","0.1901","0.0888","","","0.221","0.3125","","","","","","1.034","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074168","8.2667","0.0006","17.4414","0.0013","17.3718","0.0013","90","","101.083","0.002","90","","2458","0.3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cl F6 N O P Ru -","- C22 H31 Cl F6 N O P Ru -","- C88 H124 Cl4 F24 N4 O4 P4 Ru4 -","4","1","","Fernández, Ignacio; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia","X-ray Diffraction, PGSE Diffusion, and Related NMR Studies on a Series of Cp*-Based Ru(IV)(Cp*)(η3-CH2−CH−CHPh) Allyl Complexes","Organometallics","2006","25","19","4520","","10.1021/om060448u","","","0.71073","MoKα","","0.0525","0.0399","","","0.0926","0.0983","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074169","8.4912","0.0004","14.654","0.0006","21.1911","0.0009","90","","97.822","0.001","90","","2612.3","0.2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 Cl F6 N P Ru -","- C24 H33 Cl F6 N P Ru -","- C96 H132 Cl4 F24 N4 P4 Ru4 -","4","1","","Fernández, Ignacio; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia","X-ray Diffraction, PGSE Diffusion, and Related NMR Studies on a Series of Cp*-Based Ru(IV)(Cp*)(η3-CH2−CH−CHPh) Allyl Complexes","Organometallics","2006","25","19","4520","","10.1021/om060448u","","","0.71073","MoKα","","0.0344","0.0312","","","0.0818","0.0839","","","","","","1.049","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074170","6.9875","0.0015","12.489","0.003","14.649","0.003","90","0.005","99.121","0.005","90","0.005","1262.2","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl4 Ru2 -","- C10 H10 Cl4 Ru2 -","- C40 H40 Cl16 Ru8 -","4","0.5","","Fernández, Ignacio; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia","X-ray Diffraction, PGSE Diffusion, and Related NMR Studies on a Series of Cp*-Based Ru(IV)(Cp*)(η3-CH2−CH−CHPh) Allyl Complexes","Organometallics","2006","25","19","4520","","10.1021/om060448u","","","0.71073","MoKα","","0.0201","0.0175","","","0.0441","0.0453","","","","","","1.016","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074171","11.5964","0.0016","11.817","0.003","15.5409","0.0018","78.9538","0.0013","79.8165","0.0013","69.499","0.004","1943.8","0.6","193.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H52 Ge Ru S2 -","- C44 H52 Ge Ru S2 -","- C88 H104 Ge2 Ru2 S4 -","2","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.71069","MoKα","","","0.0468","","","","0.0934","","","","","","1.406","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074172","12.082","0.011","15.324","0.014","20.528","0.019","90","","93.843","0.013","90","","3792","6","173.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Ge O Ru S -","- C44 H52 Ge O Ru S -","- C176 H208 Ge4 O4 Ru4 S4 -","4","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.7107","MoKα","","","0.0407","","","","0.1104","","","","","","0.962","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074173","11.485","0.008","11.964","0.008","16.076","0.013","89.86","0.03","88","0.03","65.82","0.02","2014","3","153.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H114 Ge2 O5 Ru2 -","- C92 H104 Ge2 O5 Ru2 -","- C92 H104 Ge2 O5 Ru2 -","1","0.5","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.7107","MoKα","","","0.0577","","","","0.1369","","","","","","1.294","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074174","15.576","0.007","14.378","0.008","34.35","0.02","90","","90.87","0.02","90","","7692","7","193.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H47 B F4 Ge Ru S2 -","- C41 H47 B F4 Ge Ru S2 -","- C328 H376 B8 F32 Ge8 Ru8 S16 -","8","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.7107","MoKα","","","0.0545","","","","0.1349","","","","","","1.137","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074175","22.292","0.002","10.6693","0.0012","22.144","0.0004","90","","117.222","0.0004","90","","4683.4","0.7","173.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H53 Ge P Ru S2 -","- C52 H53 Ge P Ru S2 -","- C208 H212 Ge4 P4 Ru4 S8 -","4","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.71069","MoKα","","","0.0417","","","","0.0837","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074176","10.4978","0.0017","12.8083","0.0016","16.8593","0.0009","82.603","0.003","78.7029","0.001","79.7565","0.0012","2177.1","0.5","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H53 Ge O P Ru S -","- C52 H48 Ge O P Ru S -","- C104 H96 Ge2 O2 P2 Ru2 S2 -","2","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.71069","MoKα","","","0.042","","","","0.0957","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074177","20.77","0.004","12.102","0.002","31.916","0.006","90","","95.255","0.003","90","","7989","3","173.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C84 H66 B F24 Ge P Ru S2 -","- C84 H66 B F24 Ge P Ru S2 -","- C336 H264 B4 F96 Ge4 P4 Ru4 S8 -","4","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.7107","MoKα","","","0.0409","","","","0.1133","","","","","","0.922","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074178","15.802","0.002","20.691","0.004","16.65","0.0006","90","","113.891","0.001","90","","4977.4","1.2","183.1","","","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C54 H58 B Cl2 F4 Ge P Ru S2 -","- C54 H58 B Cl2 F4 Ge P Ru S2 -","- C216 H232 B4 Cl8 F16 Ge4 P4 Ru4 S8 -","4","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.71069","MoKα","","","0.0364","","","","0.0689","","","","","","0.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074179","12.5318","0.0015","17.246","0.002","19.56","0.003","84.988","0.004","84.367","0.004","75.79","0.003","4069.5","0.9","123.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C87.5 H70 B F24 Ge O P Ru S -","- C87.5 H66 B F24 Ge O P Ru S -","- C175 H132 B2 F48 Ge2 O2 P2 Ru2 S2 -","2","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.7107","MoKα","","","0.0413","","","","0.054","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074180","14.703","0.005","28.665","0.008","19.456","0.006","90","","113.351","0.003","90","","7528","4","173.1","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C150 H128 B2 F48 Ge2 O8 Ru2 S2 -","- C150 H128 B2 F48 Ge2 O8 Ru2 S2 -","- C300 H256 B4 F96 Ge4 O16 Ru4 S4 -","2","0.5","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.7107","MoKα","","","0.0874","","","","0.1757","","","","","","0.906","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074181","15.088","0.009","17.308","0.012","19.953","0.019","104.69","0.03","90.14","0.03","91.929","0.016","5037","7","203.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C105 H108 Cl5 Ge2 O2 P2 Ru2 S2 -","- C105 H108 Cl5 Ge2 O2 P2 Ru2 S2 -","- C210 H216 Cl10 Ge4 O4 P4 Ru4 S4 -","2","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.7107","MoKα","","","0.0633","","","","0.1591","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074182","16.677","0.001","13.108","0.001","26.454","0.001","90","","100.98","0.001","90","","5677","0.6","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 Li4 O2 P4 S4 -","- C58 H60 Li4 O2 P4 S4 -","- C232 H240 Li16 O8 P16 S16 -","4","1","","Cantat, Thibault; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","Phosphorus-Stabilized Geminal Dianions","Organometallics","2006","25","21","4965","","10.1021/om060450l","","","0.71069","MoKα","","0.0857","0.0599","","","0.1677","0.1828","","","","","","1.053","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074183","22.406","0.001","21.553","0.001","25.963","0.001","90","","99.786","0.001","90","","12355.5","0.9","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 Li4 O3 P4 S4 -","- C62 H70 Li4 O3 P4 S4 -","- C496 H560 Li32 O24 P32 S32 -","8","2","","Cantat, Thibault; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","Phosphorus-Stabilized Geminal Dianions","Organometallics","2006","25","21","4965","","10.1021/om060450l","","","0.71069","MoKα","","0.0799","0.0437","","","0.1113","0.1293","","","","","","1.011","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074184","18.156","0.001","19.21","0.001","24.037","0.001","90","","108.434","0.001","90","","7953.4","0.7","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H70 Li4 N6 P4 S8 -","- C82 H70 Li4 N6 P4 S8 -","- C328 H280 Li16 N24 P16 S32 -","4","0.5","","Cantat, Thibault; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","Phosphorus-Stabilized Geminal Dianions","Organometallics","2006","25","21","4965","","10.1021/om060450l","","","0.71069","MoKα","","0.0667","0.051","","","0.1362","0.1464","","","","","","1.036","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074185","20.433","0.001","14.764","0.001","11.08","0.001","90","","102.489","0.001","90","","3263.4","0.4","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 P2 S4 -","- C34 H38 P2 S4 -","- C136 H152 P8 S16 -","4","0.5","","Cantat, Thibault; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","Phosphorus-Stabilized Geminal Dianions","Organometallics","2006","25","21","4965","","10.1021/om060450l","","","0.71069","MoKα","","0.0321","0.0294","","","0.082","0.0843","","","","","","1.051","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074186","15.617","0.0003","18.619","0.0003","20.495","0.0004","90","","91.036","0.001","90","","5958.42","0.19","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C66 H52 Ag F20 N3 Pt2 -","- C66 H52 Ag F20 N3 Pt2 -","- C264 H208 Ag4 F80 N12 Pt8 -","4","1","","Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier","Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes","Organometallics","2006","25","18","4331","","10.1021/om0604526","","","0.71073","MoKα","","0.0808","0.048","","","0.1018","0.1134","","","","","","0.995","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074187","15.684","0.0002","18.6779","0.0002","20.5826","0.0003","90","","91.124","0.001","90","","6028.39","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H52 Ag F20 N3 Pt2 -","- C66 H52 Ag F20 N3 Pt2 -","- C264 H208 Ag4 F80 N12 Pt8 -","4","1","","Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier","Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes","Organometallics","2006","25","18","4331","","10.1021/om0604526","","","0.71073","MoKα","","0.055","0.0332","","","0.0868","0.1152","","","","","","1.003","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074188","15.8558","0.0002","18.7693","0.0002","20.7563","0.0003","90","","91.565","0.0004","90","","6174.82","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C66 H52 Ag F20 N3 Pt2 -","- C66 H52 Ag F20 N3 Pt2 -","- C264 H208 Ag4 F80 N12 Pt8 -","4","1","","Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier","Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes","Organometallics","2006","25","18","4331","","10.1021/om0604526","","","0.71073","MoKα","","0.09","0.0548","","","0.1263","0.1453","","","","","","1.038","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074189","10.667","0.0002","15.516","0.0003","20.255","0.0005","107.523","0.001","91.395","0.001","108.458","0.001","3005.71","0.11","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C66 H52 Ag F20 N3 Pt2 -","- C66 H52 Ag F20 N3 Pt2 -","- C132 H104 Ag2 F40 N6 Pt4 -","2","1","","Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier","Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes","Organometallics","2006","25","18","4331","","10.1021/om0604526","","","0.71073","MoKα","","0.049","0.0332","","","0.0592","0.0641","","","","","","1.054","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074190","12.752","0.0005","13.0864","0.0006","13.5349","0.0006","96.672","0.001","93.068","0.001","103.451","0.001","2174.24","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H31 Ag Cl3 F10 N P Pt -","- C47 H31 Ag Cl3 F10 N P Pt -","- C94 H62 Ag2 Cl6 F20 N2 P2 Pt2 -","2","1","","Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier","Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes","Organometallics","2006","25","18","4331","","10.1021/om0604526","","","0.71073","MoKα","","0.0265","0.0248","","","0.0621","0.0628","","","","","","1.013","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074191","25.041","0.004","25.041","0.004","13.099","0.003","90","","90","","120","","7113","2","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","","","- C45.08 H27.08 Ag Cl11.75 N P Pt -","- C45.0833 H27.0833 Ag Cl11.75 N P Pt -","- C270.5 H162.5 Ag6 Cl70.5 N6 P6 Pt6 -","6","1","","Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier","Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes","Organometallics","2006","25","18","4331","","10.1021/om0604526","","","0.71073","MoKα","","0.0363","0.0338","","","0.0863","0.0877","","","","","","1.051","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074192","14.78","0.003","11.933","0.002","20.543","0.004","90","","93.15","0.03","90","","3617.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(η^5^-C~5~Me~5~)Ru(dippe){=C=CHCHPhCH~2~COCH~3~}][BF~4~]","{1,2-bis(diisopropylphosphino)ethane}-(pentahapto-pentamethylcyclopentadienyl) -{(1-phenyl-3-acetyl)butyl-vinylidene}-ruthenium (II) tetrafluorborate","","- C36 H59 B F4 O P2 Ru -","- C36 H59 B F4 O P2 Ru -","- C144 H236 B4 F16 O4 P8 Ru4 -","4","1","","Bustelo, Emilio; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Ruthenium Allenylidene/Alkenylcarbyne Complexes Triggering Keto−Enol Tautomerism: An Alternative Approach to γ-Keto Vinylidenes from Simple Ketones and 1,3-Dicarbonyl Compounds","Organometallics","2006","25","16","4019","","10.1021/om060453y","","x-ray","0.71073","MoKα","","0.0672","0.0616","","","0.1282","0.1314","","","","","","1.066","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074193","11.912","0.002","16.888","0.003","22.019","0.004","90","","92.454","0.004","90","","4425.5","1.3","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51.74 H60.06 K2 N3 O3 -","- C47 H49 K2 N3 O3 -","- C188 H196 K8 N12 O12 -","4","1","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.135","0.0737","","","0.1366","0.1555","","","","","","1.015","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074194","18.207","0.006","11.789","0.004","20.908","0.007","90","","113.429","0.006","90","","4118","2","209","2","209","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H47 Cl2 N3 O2 Th -","- C47 H47 Cl2 N3 O2 Th -","- C188 H188 Cl8 N12 O8 Th4 -","4","1","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.1186","0.0607","","","0.1066","0.1201","","","","","","1.085","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074195","33.39","0.007","12.531","0.003","20.74","0.005","90","","97.642","0.004","90","","8601","3","226","2","226","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100.5 H84 K2 N6 Th -","- C90 H72 K2 N6 Th -","- C360 H288 K8 N24 Th4 -","4","0.5","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.0484","0.0392","","","0.08","0.0825","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074196","11.975","0.006","13.569","0.007","25.327","0.012","93.768","0.007","92.503","0.007","113.128","0.007","3766","3","207","2","207","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H76 K2 N6 O4 Th -","- C84 H76 K2 N6 O4 Th -","- C168 H152 K4 N12 O8 Th2 -","2","1","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.045","0.0376","","","0.089","0.0918","","","","","","1.046","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074197","22.762","0.016","15.89","0.009","23.217","0.012","90","","94.75","0.04","90","","8368","9","209","2","209","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47.5 H51.5 N3 O3 Th -","- C43 H41 N3 O3 Th -","- C344 H328 N24 O24 Th8 -","8","1","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.1081","0.0649","","","0.1245","0.1375","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074198","38.78","0.03","10.427","0.007","12.221","0.008","90","","104.467","0.01","90","","4785","6","208","2","208","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C61 H50 Cl N5 Th -","- C61 H50 Cl N5 Th -","- C244 H200 Cl4 N20 Th4 -","4","1","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.0555","0.0487","","","0.1335","0.1408","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074199","17.67","0.07","29.83","0.14","25.61","0.15","90","","96.4","0.3","90","","13415","11","208","2","208","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 H98 K N5 O4 Th -","- C61 H50 K N5 Th -","- C488 H400 K8 N40 Th8 -","8","1","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.1264","0.0768","","","0.1495","0.1658","","","","","","1.032","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074200","16.7318","0.0002","16.5324","0.0002","18.7277","0.0003","90","","90","","90","","5180.4","0.12","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tetrakis-(2,4-dichloro-phenyl)stannane","","- C24 H12 Cl8 Sn -","- C24 H12 Cl8 Sn -","- C192 H96 Cl64 Sn8 -","8","1","","Shaikh, Nadim S.; Parkin, Sean; Lehmler, Hans-Joachim","The Ullmann Coupling Reaction: A New Approach to Tetraarylstannanes","Organometallics","2006","25","17","4207","","10.1021/om060456a","","","0.71073","MoKα","","0.0371","0.0256","","","0.0546","0.0585","","","","","","1.083","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074201","9.8948","0.0001","11.2574","0.0002","11.7771","0.0002","97.9527","0.0006","98.0515","0.0006","94.0355","0.0007","1281.02","0.03","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","Tetrakis-(3,4-dichloro-phenyl)stannane","","- C24 H12 Cl8 Sn -","- C24 H12 Cl8 Sn -","- C48 H24 Cl16 Sn2 -","2","1","","Shaikh, Nadim S.; Parkin, Sean; Lehmler, Hans-Joachim","The Ullmann Coupling Reaction: A New Approach to Tetraarylstannanes","Organometallics","2006","25","17","4207","","10.1021/om060456a","","","0.71073","MoKα","","0.0339","0.0258","","","0.0537","0.0573","","","","","","1.099","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074202","8.5731","0.0001","8.5731","0.0001","39.7548","0.0007","90","","90","","90","","2921.9","0.07","90","0.2","90","0.2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Tetrakis-(4-methylcarboxylate-phenyl)stannane","","- C32 H28 O8 Sn -","- C32 H28 O8 Sn -","- C128 H112 O32 Sn4 -","4","0.25","","Shaikh, Nadim S.; Parkin, Sean; Lehmler, Hans-Joachim","The Ullmann Coupling Reaction: A New Approach to Tetraarylstannanes","Organometallics","2006","25","17","4207","","10.1021/om060456a","","","0.71073","MoKα","","0.0319","0.0245","","","0.0517","0.0551","","","","","","1.098","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074203","10.9038","0.0001","12.0001","0.0001","12.4461","0.0001","66.4013","0.0004","69.3562","0.0004","70.6943","0.0004","1362","0.02","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","Tetrakis-(2,4-dimethyl-phenyl)stannane","","- C32 H36 Sn -","- C32 H36 Sn -","- C64 H72 Sn2 -","2","1","","Shaikh, Nadim S.; Parkin, Sean; Lehmler, Hans-Joachim","The Ullmann Coupling Reaction: A New Approach to Tetraarylstannanes","Organometallics","2006","25","17","4207","","10.1021/om060456a","","","0.71073","MoKα","","0.0263","0.0225","","","0.0517","0.0536","","","","","","1.067","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074204","6.9674","0.0007","8.5023","0.0008","14.1923","0.0013","74.046","0.002","81.882","0.002","69.172","0.002","754.64","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Mn N2 O4 -","- C15 H13 Mn N2 O4 -","- C30 H26 Mn2 N4 O8 -","2","1","","Hevia, Eva; Miguel, Daniel; Pérez, Julio; Riera, Víctor","Synthesis and Reactivity of New (Methoxy)methyl Complexes of Manganese(I) and Rhenium(I)","Organometallics","2006","25","20","4909","","10.1021/om060459n","","","0.71073","MoKα","","0.0359","0.034","","","0.0962","0.0977","","","","","","1.01","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074205","18.955","0.007","16.411","0.006","21.427","0.008","90","","100.102","0.005","90","","6562","4","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","stannylene","","","- C60 H104 Si7 Sn -","- C60 H104 Si7 Sn -","- C240 H416 Si28 Sn4 -","4","1","","Tajima, Tomoyuki; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","A Kinetically Stabilized Stannanetellone, a Tin−Tellurium Double-Bonded Compound","Organometallics","2006","25","15","3552","","10.1021/om0604627","","","0.7107","MoKα","","0.1419","0.0798","","","0.1607","0.2047","","","","","","1.1","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"4074206","13.871","0.004","22.05","0.006","23.776","0.006","90","","90.492","0.003","90","","7272","3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","stannanetellone","","","- C66 H118 Si7 Sn Te -","- C66 H118 Si7 Sn Te -","- C264 H472 Si28 Sn4 Te4 -","4","1","","Tajima, Tomoyuki; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","A Kinetically Stabilized Stannanetellone, a Tin−Tellurium Double-Bonded Compound","Organometallics","2006","25","15","3552","","10.1021/om0604627","","","0.7107","MoKα","","0.0438","0.0362","","","0.0963","0.1142","","","","","","1.244","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074207","18.927","0.007","16.663","0.005","21.141","0.007","90","","100.006","0.003","90","","6566","4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BbtTitpSnOH2","","","- C60 H106 O2 Si7 Sn -","- C60 H106 O2 Si7 Sn -","- C240 H424 O8 Si28 Sn4 -","4","1","","Tajima, Tomoyuki; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","A Kinetically Stabilized Stannanetellone, a Tin−Tellurium Double-Bonded Compound","Organometallics","2006","25","15","3552","","10.1021/om0604627","","","0.7107","MoKα","","0.1124","0.0778","","","0.1198","0.1313","","","","","","1.168","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"4074208","14.7865","0.0003","12.0183","0.0002","45.0513","0.001","90","","96.6821","0.0007","90","","7951.6","0.3","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DMAD_adduct","","","- C72 H124 O4 Si7 Sn Te -","- C72 H124 O4 Si7 Sn Te -","- C288 H496 O16 Si28 Sn4 Te4 -","4","1","","Tajima, Tomoyuki; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","A Kinetically Stabilized Stannanetellone, a Tin−Tellurium Double-Bonded Compound","Organometallics","2006","25","15","3552","","10.1021/om0604627","","","0.71069","MoKα","","0.0807","0.0396","","","0.06","0.0673","","","","","","1.011","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"4074209","8.5812","0.0003","9.2527","0.0003","17.3789","0.0006","93.04","","101.095","0.001","113.856","0.001","1225.16","0.07","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 As Os -","- C28 H33 As Os -","- C56 H66 As2 Os2 -","2","1","","Gross, Christopher L.; Girolami, Gregory S.","Synthesis and Characterization of Osmium(IV) Polyhydride Complexes of Stoichiometry (C5Me5)OsH3(L). Crystal Structures of (C5Me5)OsH3(AsPh3) and (C5Me5)OsH3(PPh3)","Organometallics","2006","25","20","4792","","10.1021/om060463z","","","0.71073","MoKα","","0.0352","0.0268","","","0.0575","0.0615","","","","","","1.042","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074210","9.0638","0.0001","9.1459","0.0002","16.6003","0.0001","94.827","0.001","101.359","0.001","115.217","0.001","1198.47","0.03","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 Os P -","- C28 H33 Os P -","- C56 H66 Os2 P2 -","2","1","","Gross, Christopher L.; Girolami, Gregory S.","Synthesis and Characterization of Osmium(IV) Polyhydride Complexes of Stoichiometry (C5Me5)OsH3(L). Crystal Structures of (C5Me5)OsH3(AsPh3) and (C5Me5)OsH3(PPh3)","Organometallics","2006","25","20","4792","","10.1021/om060463z","","","0.71073","MoKα","","0.0244","0.0221","","","0.0524","0.0542","","","","","","1.102","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074211","33.1655","0.0009","15.3277","0.0004","14.0994","0.0004","90","","90","","90","","7167.4","0.3","90","0.2","90","0.2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H34 Cl N2 P2 Ru -","- C21 H34 Cl N2 P2 Ru -","- C252 H408 Cl12 N24 P24 Ru12 -","12","3","","Weng, Wei; Parkin, Sean; Ozerov, Oleg V.","Double C−H Activation Results in Ruthenium Complexes of a Neutral PCP Ligand with a Central Carbene Moiety","Organometallics","2006","25","22","5345","","10.1021/om060464r","","","1.54178","CuKα","","0.0705","0.0617","","","0.1451","0.1508","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074212","8.1742","0.0003","11.331","0.001","26.6412","0.0005","90","","90","","90","","2467.6","0.2","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 Cl N2 O2 P2 Ru -","- C23 H35 Cl N2 O2 P2 Ru -","- C92 H140 Cl4 N8 O8 P8 Ru4 -","4","1","","Weng, Wei; Parkin, Sean; Ozerov, Oleg V.","Double C−H Activation Results in Ruthenium Complexes of a Neutral PCP Ligand with a Central Carbene Moiety","Organometallics","2006","25","22","5345","","10.1021/om060464r","","","0.71073","MoKα","","0.0847","0.0479","","","0.1013","0.1072","","","","","","1.048","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074213","10.0921","0.0002","17.0645","0.0003","33.8558","0.0006","90","","90","","90","","5830.53","0.19","90","0.2","90","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H41 Cl N2 P2 Ru -","- C29 H41 Cl N2 P2 Ru -","- C232 H328 Cl8 N16 P16 Ru8 -","8","1","","Weng, Wei; Parkin, Sean; Ozerov, Oleg V.","Double C−H Activation Results in Ruthenium Complexes of a Neutral PCP Ligand with a Central Carbene Moiety","Organometallics","2006","25","22","5345","","10.1021/om060464r","","","0.71073","MoKα","","0.0851","0.0426","","","0.0963","0.1137","","","","","","1.057","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074214","21.474","0.004","7.771","0.001","10.485","0.001","90","","99.453","0.004","90","","1725.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Fe N2 O4 -","- C16 H24 Fe N2 O4 -","- C64 H96 Fe4 N8 O16 -","4","0.5","","Braga, Dario; Grepioni, Fabrizia; Polito, Marco; Chierotti, Michele R.; Ellena, Silvano; Gobetto, Roberto","A Solid−Gas Route to Polymorph Conversion in Crystalline [FeII(η5-C5H4COOH)2]. A Diffraction and Solid-State NMR Study","Organometallics","2006","25","19","4627","","10.1021/om060468w","","x-ray","0.71073","MoKα","","0.0916","0.052","","","0.1084","0.1258","","","","","","0.978","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074215","11.267","0.002","11.591","0.002","24.066","0.004","96","0.02","94.02","0.02","112.8","0.02","2860.4","1","210","2","210","2","","","","","","","","4","P -1","-P 1","2","Dimitry-41","","","- C44 H102 Li6 Si6 -","- C44 H102 Li6 Si6 -","- C88 H204 Li12 Si12 -","2","1","","Bravo-Zhivotovskii, Dmitry; Molev, Gregory; Kravchenko, Victoria; Botoshansky, Mark; Schmidt, Asher; Apeloig, Yitzhak","Novel Aggregation Motif ofgem-Dilithiosilanes: Coaggregation of Two R2SiLi2Molecules with Two RLi Molecules","Organometallics","2006","25","20","4719","","10.1021/om060469o","","","0.71073","MoKα","","0.104","0.0659","","","0.1609","0.1737","","","","","","1.041","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074216","11.82","0.002","22.377","0.004","12.775","0.003","90","","105.34","0.03","90","","3258.6","1.2","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Dimitry-80new","","","- C24 H57 Li3 Si4 -","- C24 H57 Li3 Si4 -","- C96 H228 Li12 Si16 -","4","1","","Bravo-Zhivotovskii, Dmitry; Molev, Gregory; Kravchenko, Victoria; Botoshansky, Mark; Schmidt, Asher; Apeloig, Yitzhak","Novel Aggregation Motif ofgem-Dilithiosilanes: Coaggregation of Two R2SiLi2Molecules with Two RLi Molecules","Organometallics","2006","25","20","4719","","10.1021/om060469o","","","0.71073","MoKα","","0.2247","0.127","","","0.3127","0.3594","","","","","","1.086","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074217","10.7505","0.0017","11.7485","0.0019","12.266","0.002","90","","90","","90","","1549.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 B2 N2 V -","- C16 H22 B2 N2 V -","- C64 H88 B8 N8 V4 -","4","1","","Braunschweig, Holger; Lutz, Matthias; Radacki, Krzysztof; Schaumlöffel, Anu; Seeler, Fabian; Unkelbach, Christian","Facile Syntheses of Trovacene, the Formation of [n]Boratrovacenophanes (n= 1, 2), and Their Reactivity toward [Pt(PEt3)4]","Organometallics","2006","25","19","4433","","10.1021/om060471f","","","0.71073","MoKα","","0.0513","0.0489","","","0.1107","0.1117","","","","","","1.217","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074218","8.5651","0.0001","17.6564","0.0003","21.235","0.0004","90","","91.24","0.001","90","","3210.59","0.09","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H52 B2 N2 P2 Pt V -","- C28 H52 B2 N2 P2 Pt V -","- C112 H208 B8 N8 P8 Pt4 V4 -","4","1","","Braunschweig, Holger; Lutz, Matthias; Radacki, Krzysztof; Schaumlöffel, Anu; Seeler, Fabian; Unkelbach, Christian","Facile Syntheses of Trovacene, the Formation of [n]Boratrovacenophanes (n= 1, 2), and Their Reactivity toward [Pt(PEt3)4]","Organometallics","2006","25","19","4433","","10.1021/om060471f","","","0.71073","MoKα","","0.0205","0.0197","","","0.0501","0.0505","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074219","15.0474","0.0006","12.3241","0.0005","10.9891","0.0004","90","","107.566","0.002","90","","1942.85","0.13","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cyclopentadienylcycloheptatrienybis(trimethylsilylamino)borylvandadium","Cyclopentadienylcycloheptatrienybis(trimethylsilylamino)borylvandadium","","- C18 H28 B N Si2 V -","- C18 H28 B N Si2 V -","- C72 H112 B4 N4 Si8 V4 -","4","1","","Braunschweig, Holger; Lutz, Matthias; Radacki, Krzysztof; Schaumlöffel, Anu; Seeler, Fabian; Unkelbach, Christian","Facile Syntheses of Trovacene, the Formation of [n]Boratrovacenophanes (n= 1, 2), and Their Reactivity toward [Pt(PEt3)4]","Organometallics","2006","25","19","4433","","10.1021/om060471f","","","0.71073","MoKα","","0.0432","0.0328","","","0.0808","0.0871","","","","","","1.05","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074220","10.856","0.002","20.63","0.004","16.833","0.003","90","","105.58","0.03","90","","3631.4","1.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl2 N3 O10 Pd S -","- C33 H33 Cl2 N3 O10 Pd S -","- C132 H132 Cl8 N12 O40 Pd4 S4 -","4","1","","Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Uguagliati, Paolo; Levi, Carlo; Dolmella, Alessandro; Bandoli, Giuliano","Role of the Ligand and of the Size and Flexibility of the Palladium−Ancillary Ligand Cycle on the Reactivity of Substituted Alkynes toward Palladium(0) Complexes Bearing Potentially Terdentate Nitrogen−Sulfur−Nitrogen or Nitrogen−Nitrogen−Nitrogen Ligands: Kinetic and Structural Study","Organometallics","2006","25","22","5355","","10.1021/om0604728","","","0.71073","MoKα","","0.0522","0.0503","","","0.1251","0.1271","","","","","","1.216","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074221","8.385","0.002","17.032","0.003","22.164","0.004","90","","100.72","0.03","90","","3110.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 N3 O10 Pd S -","- C29 H31 N3 O10 Pd S -","- C116 H124 N12 O40 Pd4 S4 -","4","1","","Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Uguagliati, Paolo; Levi, Carlo; Dolmella, Alessandro; Bandoli, Giuliano","Role of the Ligand and of the Size and Flexibility of the Palladium−Ancillary Ligand Cycle on the Reactivity of Substituted Alkynes toward Palladium(0) Complexes Bearing Potentially Terdentate Nitrogen−Sulfur−Nitrogen or Nitrogen−Nitrogen−Nitrogen Ligands: Kinetic and Structural Study","Organometallics","2006","25","22","5355","","10.1021/om0604728","","","0.71073","MoKα","","0.0477","0.0449","","","0.1079","0.1103","","","","","","1.388","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074222","9.291","0.002","11.288","0.002","13.748","0.003","91.17","0.03","103.84","0.03","94.12","0.03","1395.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 N3 O4 Pd S -","- C32 N3 O4 Pd S -","- C64 N6 O8 Pd2 S2 -","2","1","","Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Uguagliati, Paolo; Levi, Carlo; Dolmella, Alessandro; Bandoli, Giuliano","Role of the Ligand and of the Size and Flexibility of the Palladium−Ancillary Ligand Cycle on the Reactivity of Substituted Alkynes toward Palladium(0) Complexes Bearing Potentially Terdentate Nitrogen−Sulfur−Nitrogen or Nitrogen−Nitrogen−Nitrogen Ligands: Kinetic and Structural Study","Organometallics","2006","25","22","5355","","10.1021/om0604728","","","0.71073","MoKα","","0.1089","0.0691","","","0.1945","0.2397","","","","","","0.929","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074223","15.923","0.003","8.691","0.002","21.598","0.004","90","","99.81","0.03","90","","2945.2","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl2 N2 O8 Pd S -","- C26 H26 Cl2 N2 O8 Pd S -","- C104 H104 Cl8 N8 O32 Pd4 S4 -","4","1","","Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Uguagliati, Paolo; Levi, Carlo; Dolmella, Alessandro; Bandoli, Giuliano","Role of the Ligand and of the Size and Flexibility of the Palladium−Ancillary Ligand Cycle on the Reactivity of Substituted Alkynes toward Palladium(0) Complexes Bearing Potentially Terdentate Nitrogen−Sulfur−Nitrogen or Nitrogen−Nitrogen−Nitrogen Ligands: Kinetic and Structural Study","Organometallics","2006","25","22","5355","","10.1021/om0604728","","","0.71073","MoKα","","0.1776","0.0366","","","0.0454","0.0849","","","","","","0.575","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074224","15.718","0.002","18.68","0.002","8.5179","0.0007","92.017","0.007","94.372","0.009","100.092","0.009","2452.1","0.5","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Cl2 Ir N3 -","- C22 H34 Cl2 Ir N3 -","- C88 H136 Cl8 Ir4 N12 -","4","2","","Hanasaka, Fumihiro; Fujita, Ken-ichi; Yamaguchi, Ryohei","Synthesis of New Iridium N-Heterocyclic Carbene Complexes Bearing a Functionalized Cp* Ligand and Their High Catalytic Activities in the Oppenauer-Type Oxidation of Alcohol","Organometallics","2006","25","19","4643","","10.1021/om060475k","","","0.7107","MoKα","","","0.04","","","","0.043","","","","","","0.798","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074225","23.287","0.004","11.9507","0.0017","25.667","0.004","90","","90.019","0.002","90","","7143","1.9","113.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C42 H30 Cl F5 P2 Pd -","- C42 H30 Cl F5 P2 Pd -","- C336 H240 Cl8 F40 P16 Pd8 -","8","2","","Kashiwabara, Taigo; Tanaka, Masato","Decarbonylative Coupling of Fluorobenzoyl Chlorides with Hexamethyldisilane in the Presence of a Palladium Complex Catalyst: Extremely Facile Decarbonylation of Pentafluorobenzoyl‒Pd Complex Relevant to C6F5SiMe3 Formation","Organometallics","2006","25","19","4648","4652","10.1021/om060479p","","","0.7107","MoKα","","","0.0597","","","","0.0773","","","","","","1.031","","","","has coordinates","209825","2020-10-21","18:00:00",""
"4074226","13.9464","0.0005","14.8743","0.0006","25.6457","0.0009","76.954","0.002","84.974","0.002","67.988","0.002","4804.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(K-crypt)3[Si9Zn(C6H5)]*2py","","- C70 H123 K3 N8 O18 Si9 Zn -","- C70 H120.765 K3 N8 O18 Si9 Zn -","- C140 H241.53 K6 N16 O36 Si18 Zn2 -","2","1","","Goicoechea, Jose M.; Sevov, Slavi C.","Organozinc Derivatives of Deltahedral Zintl Ions: Synthesis and Characterization ofcloso-[E9Zn(C6H5)]3-(E = Si, Ge, Sn, Pb)","Organometallics","2006","25","19","4530","","10.1021/om060481g","","","0.71073","MoKα","","0.1565","0.0853","","","0.2521","0.2939","","","","","","0.999","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074227","13.8684","0.0004","14.9256","0.0004","25.9765","0.0007","76.627","0.002","84.302","0.002","68.919","0.002","4880.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(K-crypt)3[Ge9Zn(C6H5)]*2en*tol","","- C71 H137 Ge9 K3 N10 O18 Zn -","- C71 H111.01 Ge9 K3 N10 O18 Zn -","- C142 H222.02 Ge18 K6 N20 O36 Zn2 -","2","1","","Goicoechea, Jose M.; Sevov, Slavi C.","Organozinc Derivatives of Deltahedral Zintl Ions: Synthesis and Characterization ofcloso-[E9Zn(C6H5)]3-(E = Si, Ge, Sn, Pb)","Organometallics","2006","25","19","4530","","10.1021/om060481g","","","0.71073","MoKα","","0.0647","0.0488","","","0.1434","0.1549","","","","","","1.092","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074228","13.6322","0.0004","24.4665","0.0008","28.037","0.0009","90","","94.295","0.002","90","","9325","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(K-crypt)3[Sn9Zn(C6H5)]*tol","","- C67 H121 K3 N6 O18 Sn9 Zn -","- C67 H121 K3 N6 O18 Sn9 Zn -","- C268 H484 K12 N24 O72 Sn36 Zn4 -","4","1","","Goicoechea, Jose M.; Sevov, Slavi C.","Organozinc Derivatives of Deltahedral Zintl Ions: Synthesis and Characterization ofcloso-[E9Zn(C6H5)]3-(E = Si, Ge, Sn, Pb)","Organometallics","2006","25","19","4530","","10.1021/om060481g","","","0.71073","MoKα","","0.0603","0.0371","","","0.0658","0.0754","","","","","","1.068","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074229","15.8267","0.0004","22.446","0.0007","27.5057","0.0008","87.793","0.002","74.942","0.002","89.428","0.002","9428.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(K-crypt)6[Pb9Zn(C6H5)]2*2en*tol","","- C131 H250 K6 N16 O36 Pb18 Zn2 -","- C131 H250.04 K6 N16 O36 Pb18 Zn2 -","- C262 H500.08 K12 N32 O72 Pb36 Zn4 -","2","1","","Goicoechea, Jose M.; Sevov, Slavi C.","Organozinc Derivatives of Deltahedral Zintl Ions: Synthesis and Characterization ofcloso-[E9Zn(C6H5)]3-(E = Si, Ge, Sn, Pb)","Organometallics","2006","25","19","4530","","10.1021/om060481g","","","0.71073","MoKα","","0.0657","0.0416","","","0.1011","0.109","","","","","","1.066","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074230","12.731","0.003","14.117","0.003","29.964","0.006","90","","90","","90","","5385","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H28 Co2 O6 Si4 -","- C17 H28 Co2 O6 Si4 -","- C136 H224 Co16 O48 Si32 -","8","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.1015","0.0975","","","0.1867","0.1884","","","","","","1.404","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074231","9.6011","0.0019","9.874","0.002","15.963","0.003","90","","91.95","0.03","90","","1512.4","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H32 Co2 O6 Si4 -","- C23 H32 Co2 O6 Si4 -","- C46 H64 Co4 O12 Si8 -","2","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0347","0.0329","","","0.0669","0.0675","","","","","","1.083","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074232","14.197","0.003","6.0209","0.0012","20.974","0.004","90","","95.61","0.03","90","","1784.2","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Si3 -","- C14 H24 Si3 -","- C56 H96 Si12 -","4","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0783","0.0697","","","0.1749","0.1813","","","","","","1.147","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074233","8.3963","0.0017","14.22","0.003","32.546","0.007","90","","94.61","0.03","90","","3873.3","1.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H14 Co2 O6 Si -","- C17 H14 Co2 O6 Si -","- C136 H112 Co16 O48 Si8 -","8","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0731","0.0607","","","0.1229","0.129","","","","","","1.079","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074234","8.6734","0.0017","11.268","0.002","24.248","0.005","90","","91.57","0.03","90","","2368.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Co2 O6 Si2 -","- C19 H20 Co2 O6 Si2 -","- C76 H80 Co8 O24 Si8 -","4","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.066","0.0428","","","0.0962","0.104","","","","","","0.919","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074235","7.9826","0.0016","15.895","0.003","16.094","0.003","101.32","0.03","98.75","0.03","97.44","0.03","1952.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Co2 O7 Si -","- C17 H14 Co2 O7 Si -","- C68 H56 Co8 O28 Si4 -","4","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0721","0.0429","","","0.089","0.0964","","","","","","0.928","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074236","28.608","0.006","9.0551","0.0018","15.553","0.003","90","","113.67","0.03","90","","3690","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Co4 O13 Si2 -","- C32 H22 Co4 O13 Si2 -","- C128 H88 Co16 O52 Si8 -","4","0.5","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0786","0.0711","","","0.1414","0.1446","","","","","","1.314","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074237","18.228","0.004","9.7071","0.0019","35.846","0.007","90","","90","","90","","6343","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H28 Co2 O6 Si3 -","- C28 H28 Co2 O6 Si3 -","- C224 H224 Co16 O48 Si24 -","8","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0573","0.0487","","","0.1031","0.1076","","","","","","1.007","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074238","9.0537","0.0018","10.563","0.002","15.355","0.003","79.76","0.03","78.22","0.03","83.52","0.03","1410.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H14 Co4 O12 Si2 -","- C23 H14 Co4 O12 Si2 -","- C46 H28 Co8 O24 Si4 -","2","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0367","0.0316","","","0.0772","0.0799","","","","","","1.092","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074239","14.389","0.003","14.801","0.003","15.668","0.003","90","","110.96","0.03","90","","3116","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Co2 O6 Si2 -","- C10 H12 Co2 O6 Si2 -","- C80 H96 Co16 O48 Si16 -","8","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0754","0.0395","","","0.0833","0.094","","","","","","0.942","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074240","7.9782","0.0016","16.02","0.003","16.653","0.003","72.76","0.03","77.3","0.03","78.54","0.03","1962.6","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 Co4 Ge O13 -","- C13 Co4 Ge O13 -","- C52 Co16 Ge4 O52 -","4","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0594","0.0545","","","0.1416","0.1447","","","","","","1.085","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074241","15.84","0.003","9.4226","0.0019","15.874","0.003","90","","111.46","0.03","90","","2205","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H27 Co Ge O4 Si3 -","- C13 H27 Co Ge O4 Si3 -","- C52 H108 Co4 Ge4 O16 Si12 -","4","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0766","0.0746","","","0.1763","0.1782","","","","","","1.129","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074242","10.8817","0.0006","15.7284","0.0008","12.5031","0.0007","90","","101.85","0.001","90","","2094.3","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Y(GaMe~4~)~3~","","","- C12 H36 Ga3 Y -","- C12 H36 Ga3 Y -","- C48 H144 Ga12 Y4 -","4","0.5","","Dietrich, H. Martin; Meermann, Christian; Törnroos, Karl W.; Anwander, Reiner","Sounding out the Reactivity of Trimethylyttrium","Organometallics","2006","25","18","4316","","10.1021/om060488y","","","0.71073","MoKα","","0.0257","0.0227","","","0.0661","0.0677","","","","","","1.112","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074243","26.5475","0.0011","13.433","0.0005","25.2838","0.001","90","","116.12","0.001","90","","8095.7","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Y(OC~14~H~11~)~2~(μ-OC~14~H~11~)]~2~(fluorenone) mono toluene solvate","","","- C104 H82 O7 Y2 -","- C104 H82 O7 Y2 -","- C416 H328 O28 Y8 -","4","1","","Dietrich, H. Martin; Meermann, Christian; Törnroos, Karl W.; Anwander, Reiner","Sounding out the Reactivity of Trimethylyttrium","Organometallics","2006","25","18","4316","","10.1021/om060488y","","","0.71073","MoKα","","0.1384","0.0773","","","0.1506","0.171","","","","","","1.119","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074244","11.0213","0.0004","11.1534","0.0004","25.1661","0.0009","79.47","0.001","80.359","0.001","60.812","0.001","2644.17","0.17","123","2","123","2","","","","","","","","5","P -1","-P 1","2","[Y[N(SiHMe~2~)~2~]~2~[μ-N(SiHMe~2~)~2~]]~2~","","","- C24 H84 N6 Si12 Y2 -","- C24 H84 N6 Si12 Y2 -","- C48 H168 N12 Si24 Y4 -","2","1","","Dietrich, H. Martin; Meermann, Christian; Törnroos, Karl W.; Anwander, Reiner","Sounding out the Reactivity of Trimethylyttrium","Organometallics","2006","25","18","4316","","10.1021/om060488y","","","0.71073","MoKα","","0.0427","0.0286","","","0.0647","0.0703","","","","","","1.017","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074245","13.334","0.0001","8.558","0.0002","22.036","0.0004","90","","90","","90","","2514.58","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 O2 Sb -","- C10 H13 Cl2 O2 Sb -","- C80 H104 Cl16 O16 Sb8 -","8","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0342","0.0261","","","0.06","0.0652","","","","","","1.14","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074246","10.632","0.0002","12.346","0.0002","14.875","0.0003","90","","102.15","0.0011","90","","1908.8","0.06","200","2","200","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 Cl2 O2 Sb -","- C16 H25 Cl2 O2 Sb -","- C64 H100 Cl8 O8 Sb4 -","4","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0266","0.0226","","","0.0531","0.0551","","","","","","1.057","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074247","14.028","0.0001","8.098","0.0002","25.426","0.0003","90","","90","","90","","2888.36","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 I2 O2 Sb -","- C10 H13 I2 O2 Sb -","- C80 H104 I16 O16 Sb8 -","8","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0239","0.0206","","","0.0477","0.0496","","","","","","1.136","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074248","8.488","0.0001","23.68","0.0004","9.921","0.0002","90","","94.291","0.001","90","","1988.49","0.06","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 I2 O2 Sb -","- C16 H25 I2 O2 Sb -","- C64 H100 I8 O8 Sb4 -","4","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0321","0.0251","","","0.0531","0.0563","","","","","","1.128","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074249","8.431","0.0003","8.913","0.0002","9.308","0.0003","67.242","0.0017","78.641","0.0016","77.349","0.0019","624.43","0.03","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C10 H13 Bi Cl2 O2 -","- C10 H13 Bi Cl2 O2 -","- C20 H26 Bi2 Cl4 O4 -","2","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0233","0.0224","","","0.0544","0.0549","","","","","","1.096","","","","has coordinates","264242","2021-04-16","08:50:32",""
"4074250","12.747","0.0002","9.359","0.0002","16.85","0.0003","90","","109.464","0.0012","90","","1895.31","0.06","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 Bi Cl2 O2 -","- C16 H25 Bi Cl2 O2 -","- C64 H100 Bi4 Cl8 O8 -","4","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0331","0.0275","","","0.0658","0.0687","","","","","","1.066","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074251","15.608","0.0005","11.945","0.0003","8.585","0.0003","90","","117.121","0.0016","90","","1424.58","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H13 Bi I2 O2 -","- C10 H13 Bi I2 O2 -","- C40 H52 Bi4 I8 O8 -","4","0.5","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0265","0.0256","","","0.0672","0.0678","","","","","","1.122","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074252","8.578","0.0002","23.451","0.0003","9.995","0.0002","90","","94.55","0.001","90","","2004.28","0.07","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Bi I2 O2 -","- C16 H25 Bi I2 O2 -","- C64 H100 Bi4 I8 O8 -","4","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0414","0.0297","","","0.0636","0.0688","","","","","","1.07","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074253","10.056","0.003","11.698","0.004","19.363","0.006","90","","93.428","0.004","90","","2273.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H64 N6 O2 S2 Yb2 -","- C44 H64 N6 O2 S2 Yb2 -","- C88 H128 N12 O4 S4 Yb4 -","2","0.5","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.0378","0.0301","","","0.0785","0.0835","","","","","","1.07","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074254","10.605","0.005","16.487","0.007","12.692","0.006","90","","92.591","0.006","90","","2216.9","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H56 Dy2 N2 O3 S2 -","- C44 H56 Dy2 N2 O3 S2 -","- C88 H112 Dy4 N4 O6 S4 -","2","1","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.0605","0.0494","","","0.1205","0.129","","","","","","0.998","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074255","14.524","0.006","19.149","0.007","30.795","0.011","90","","96.285","0.005","90","","8513","6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Dy2 N4 O2 S2 -","- C42 H56 Dy2 N4 O2 S2 -","- C336 H448 Dy16 N32 O16 S16 -","8","1","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.061","0.0389","","","0.075","0.0819","","","","","","1.045","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4074256","10.986","0.003","10.686","0.003","17.002","0.005","90","","103.967","0.004","90","","1937","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Dy2 N2 O2 S2 -","- C40 H48 Dy2 N2 O2 S2 -","- C80 H96 Dy4 N4 O4 S4 -","2","0.5","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.0618","0.0345","","","0.0599","0.0643","","","","","","0.854","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074257","10.086","0.004","11.719","0.004","19.487","0.007","90","","93.451","0.004","90","","2299.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 Dy2 N6 O2 S2 -","- C44 H66 Dy2 N6 O2 S2 -","- C88 H132 Dy4 N12 O4 S4 -","2","0.5","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.0431","0.03","","","0.0607","0.064","","","","","","0.909","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074258","16.236","0.008","14.542","0.007","16.236","0.008","90","","98.828","0.004","90","","3788","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 Er N6 O S2 -","- C35 H53 Er N6 O S2 -","- C140 H212 Er4 N24 O4 S8 -","4","1","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.1136","0.0501","","","0.0827","0.0999","","","","","","0.971","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074259","8.822","0.0011","16.951","0.002","19.423","0.002","90","","100.784","0.002","90","","2853.3","0.6","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N6 S2 -","- C26 H40 N6 S2 -","- C104 H160 N24 S8 -","4","1","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.0834","0.0524","","","0.1332","0.1528","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074260","9.5039","0.0003","10.6594","0.0004","20.8233","0.0009","90","","101.66","0.002","90","","2065.99","0.14","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Br2 N4 O4 Pd S2 -","- C38 H48 Br2 N4 O4 Pd S2 -","- C76 H96 Br4 N8 O8 Pd2 S4 -","2","0.5","","Boydston, Andrew J.; Rice, Jonathan D.; Sanderson, Matthew D.; Dykhno, Olga L.; Bielawski, Christopher W.","Synthesis and Study of Bidentate Benzimidazolylidene−Group 10 Metal Complexes and Related Main-Chain Organometallic Polymers","Organometallics","2006","25","26","6087","","10.1021/om060494u","","","0.71073","MoKα","","0.0628","0.0401","","","0.0894","0.1017","","","","","","1.054","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074261","12.499","0.0004","13.821","0.0005","18.559","0.0007","90.294","0.0015","102.592","0.0014","99.423","0.0014","3083.93","0.19","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 N4 O3 Pd -","- C34 H35 N4 O3 Pd -","- C136 H140 N16 O12 Pd4 -","4","2","","Boydston, Andrew J.; Rice, Jonathan D.; Sanderson, Matthew D.; Dykhno, Olga L.; Bielawski, Christopher W.","Synthesis and Study of Bidentate Benzimidazolylidene−Group 10 Metal Complexes and Related Main-Chain Organometallic Polymers","Organometallics","2006","25","26","6087","","10.1021/om060494u","","","0.71073","MoKα","","0.1618","0.0683","","","0.1011","0.124","","","","","","1.14","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074262","12.8694","0.0002","10.3815","0.0002","21.7249","0.0004","90","","96.904","0.001","90","","2881.48","0.09","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N4 Ni O2 -","- C33.72 H32.6 N4 Ni O2 -","- C134.88 H130.4 N16 Ni4 O8 -","4","1","","Boydston, Andrew J.; Rice, Jonathan D.; Sanderson, Matthew D.; Dykhno, Olga L.; Bielawski, Christopher W.","Synthesis and Study of Bidentate Benzimidazolylidene−Group 10 Metal Complexes and Related Main-Chain Organometallic Polymers","Organometallics","2006","25","26","6087","","10.1021/om060494u","","","0.71073","MoKα","","0.0725","0.0407","","","0.0891","0.1004","","","","","","1.017","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074263","12.521","0.0005","13.87","0.0006","18.694","0.001","90.248","0.002","102.67","0.002","99.004","0.0017","3125.9","0.3","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 N4 O3 Pt -","- C34 H34 N4 O3 Pt -","- C136 H136 N16 O12 Pt4 -","4","2","","Boydston, Andrew J.; Rice, Jonathan D.; Sanderson, Matthew D.; Dykhno, Olga L.; Bielawski, Christopher W.","Synthesis and Study of Bidentate Benzimidazolylidene−Group 10 Metal Complexes and Related Main-Chain Organometallic Polymers","Organometallics","2006","25","26","6087","","10.1021/om060494u","","","0.71073","MoKα","","0.1179","0.0654","","","0.1355","0.1664","","","","","","1.018","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074264","11.427","0.002","18.567","0.003","18.542","0.003","90","","105.488","0.003","90","","3791.1","1.1","120","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H49 Mo2 O2 P Sn -","- C42 H49 Mo2 O2 P Sn -","- C168 H196 Mo8 O8 P4 Sn4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.","Dimolybdenum−Tin Derivatives of the Unsaturated Hydride [Mo2(η5-C5H5)2(μ-H)(μ-PCy2)(CO)2] and HSnR3(R = Ph, Bu): Bridging versus Terminal Coordination of the Triorganostannyl Group","Organometallics","2006","25","22","5374","","10.1021/om060495m","","x-ray","0.71073","MoKα","","0.0848","0.0383","","","0.071","0.0899","","","","","","1.073","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074265","11.7278","0.0019","14.627","0.002","22.86","0.004","90","","97.054","0.003","90","","3891.8","1.1","120","0.1","120","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H47 Mo2 O4 P Sn -","- C44 H47 Mo2 O4 P Sn -","- C176 H188 Mo8 O16 P4 Sn4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.","Dimolybdenum−Tin Derivatives of the Unsaturated Hydride [Mo2(η5-C5H5)2(μ-H)(μ-PCy2)(CO)2] and HSnR3(R = Ph, Bu): Bridging versus Terminal Coordination of the Triorganostannyl Group","Organometallics","2006","25","22","5374","","10.1021/om060495m","","x-ray","0.71073","MoKα","","0.1584","0.0608","","","0.1156","0.1581","","","","","","1.016","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074266","19.679","0.0018","9.672","0.0009","21.451","0.002","90","","95.435","0.002","90","","4064.5","0.7","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 P Rh -","- C25 H24 P Rh -","- C200 H192 P8 Rh8 -","8","2","","Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.","Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers","Organometallics","2006","25","21","5093","","10.1021/om060500m","","","0.71073","MoKα","","0.0786","0.0349","","","0.0695","0.0822","","","","","","0.93","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074267","10.7234","0.0006","14.3049","0.0008","16.7704","0.001","90","","90","","90","","2572.5","0.3","115","2","115","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H17 F3 P Rh -","- C11 H17 F3 P Rh -","- C88 H136 F24 P8 Rh8 -","8","1","","Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.","Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers","Organometallics","2006","25","21","5093","","10.1021/om060500m","","","0.71073","MoKα","","0.0284","0.0251","","","0.0645","0.0662","","","","","","1.033","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074268","10.7735","0.0007","10.9101","0.0007","11.7832","0.0007","77.068","0.001","77.854","0.001","77.895","0.001","1300.29","0.14","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H33 B O2 P Rh -","- C29 H33 B O2 P Rh -","- C58 H66 B2 O4 P2 Rh2 -","2","1","","Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.","Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers","Organometallics","2006","25","21","5093","","10.1021/om060500m","","","0.71073","MoKα","","0.0243","0.0223","","","0.0574","0.0583","","","","","","1.06","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074269","12.001","0.0007","14.0158","0.0008","18.2082","0.0011","72.634","0.001","85.868","0.001","89.726","0.001","2915","0.3","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H68 B O2 P3 Rh2 -","- C70 H68 B O2 P3 Rh2 -","- C140 H136 B2 O4 P6 Rh4 -","2","1","","Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.","Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers","Organometallics","2006","25","21","5093","","10.1021/om060500m","","","0.71073","MoKα","","0.0687","0.04","","","0.0838","0.096","","","","","","0.996","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074270","8.6515","0.0004","10.4606","0.0005","12.1019","0.0006","74.981","0.001","71.512","0.001","72.05","0.001","972.2","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H36 P Rh Si -","- C17 H36 P Rh Si -","- C34 H72 P2 Rh2 Si2 -","2","1","","Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.","Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers","Organometallics","2006","25","21","5093","","10.1021/om060500m","","","0.71073","MoKα","","0.0166","0.0158","","","0.0407","0.0409","","","","","","1.049","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074271","13.5551","0.0015","10.2404","0.0011","19.151","0.002","90","","100.272","0.002","90","","2615.7","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl2 P Rh -","- C30 H28 Cl2 P Rh -","- C120 H112 Cl8 P4 Rh4 -","4","1","","Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.","Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers","Organometallics","2006","25","21","5093","","10.1021/om060500m","","","0.71073","MoKα","","0.0503","0.0364","","","0.0833","0.0887","","","","","","1.019","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074272","16.3432","0.0008","13.336","0.0007","19.0526","0.0009","90","","103.262","0.002","90","","4041.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 Cl3 K O12 Pt2 -","- C30 H54 Cl3 K O12 Pt2 -","- C120 H216 Cl12 K4 O48 Pt8 -","4","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia","The First Family of Platinum(IV) Acetonyl Complexes. Mono-, Bis-, and Tris(acetonyl) Derivatives†","Organometallics","2006","25","18","4404","","10.1021/om0605027","","","0.71073","MoKα","","0.0237","0.0217","","","0.0529","0.0537","","","","","","1.055","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074273","7.7305","0.0005","27.1799","0.0019","9.7153","0.0007","90","","111.032","0.001","90","","1905.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Cl N2 O3 Pt -","- C19 H23 Cl N2 O3 Pt -","- C76 H92 Cl4 N8 O12 Pt4 -","4","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia","The First Family of Platinum(IV) Acetonyl Complexes. Mono-, Bis-, and Tris(acetonyl) Derivatives†","Organometallics","2006","25","18","4404","","10.1021/om0605027","","","0.71073","MoKα","","0.0238","0.0224","","","0.0504","0.0509","","","","","","1.187","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074274","10.7533","0.0006","11.5279","0.0006","12.4871","0.0007","89.267","0.002","72.36","0.002","78.155","0.002","1441.71","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H32 F3 N3 O6 Pt S -","- C25 H32 F3 N3 O6 Pt S -","- C50 H64 F6 N6 O12 Pt2 S2 -","2","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia","The First Family of Platinum(IV) Acetonyl Complexes. Mono-, Bis-, and Tris(acetonyl) Derivatives†","Organometallics","2006","25","18","4404","","10.1021/om0605027","","","0.71073","MoKα","","0.0316","0.0303","","","0.0706","0.0713","","","","","","1.134","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074275","6.7239","0.0008","10.6002","0.0007","11.6152","0.0011","92.998","0.006","105.748","0.009","106.808","0.006","755.03","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cl3 N2 O Pt -","- C13 H13 Cl3 N2 O Pt -","- C26 H26 Cl6 N4 O2 Pt2 -","2","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia","The First Family of Platinum(IV) Acetonyl Complexes. Mono-, Bis-, and Tris(acetonyl) Derivatives†","Organometallics","2006","25","18","4404","","10.1021/om0605027","","","0.71073","MoKα","","0.0273","0.0237","","","0.0578","0.0585","","","","","","0.996","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074276","11.6652","0.0007","14.2846","0.0009","30.317","0.0019","90","","90","","90","","5051.8","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H26 I N3 -","- C29 H26 I N3 -","- C232 H208 I8 N24 -","8","1","","Song, Zhiquan; Li, Yuxue; Liu, Meina; Cong, Liqing; Liu, Yuanhong","Regio- and Stereoselective Coupling of Heteroaryl-Substituted Alkynes: New Insights into the Mechanism of Zirconium-Mediated Cyclodimerization of Alkynes and a Facile Route to 3-Methylenecyclobutenes","Organometallics","2006","25","21","5035","","10.1021/om060505j","","","0.71073","MoKα","","0.0773","0.0438","","","0.0881","0.0958","","","","","","0.85","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074277","8.2698","0.0007","12.2681","0.001","13.0713","0.0011","90","","103.714","0.002","90","","1288.34","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N S -","- C14 H12 Br N S -","- C56 H48 Br4 N4 S4 -","4","1","","Yen, Swee Kuan; Koh, Lip Lin; Hahn, F. Ekkehardt; Huynh, Han Vinh; Hor, T. S. Andy","Convenient Entry to Mono- and Dinuclear Palladium(II) Benzothiazolin-2-ylidene Complexes and Their Activities toward Heck Coupling","Organometallics","2006","25","21","5105","","10.1021/om060510n","","","0.71073","MoKα","","0.0329","0.0266","","","0.0652","0.0676","","","","","","1.062","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074278","8.8511","0.0008","12.6296","0.0011","16.9529","0.0015","90","","92.234","0.002","90","","1893.7","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Br2 N2 O Pd S -","- C17 H18 Br2 N2 O Pd S -","- C68 H72 Br8 N8 O4 Pd4 S4 -","4","1","","Yen, Swee Kuan; Koh, Lip Lin; Hahn, F. Ekkehardt; Huynh, Han Vinh; Hor, T. S. Andy","Convenient Entry to Mono- and Dinuclear Palladium(II) Benzothiazolin-2-ylidene Complexes and Their Activities toward Heck Coupling","Organometallics","2006","25","21","5105","","10.1021/om060510n","","","0.71073","MoKα","","0.0345","0.0261","","","0.0618","0.0643","","","","","","1.015","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074279","9.2077","0.0014","11.6041","0.0018","16.817","0.003","78.703","0.003","74.761","0.004","85.044","0.003","1698.9","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Br4 Cl3 N2 Pd2 S2 -","- C29 H23 Br4 Cl3 N2 Pd2 S2 -","- C58 H46 Br8 Cl6 N4 Pd4 S4 -","2","1","","Yen, Swee Kuan; Koh, Lip Lin; Hahn, F. Ekkehardt; Huynh, Han Vinh; Hor, T. S. Andy","Convenient Entry to Mono- and Dinuclear Palladium(II) Benzothiazolin-2-ylidene Complexes and Their Activities toward Heck Coupling","Organometallics","2006","25","21","5105","","10.1021/om060510n","","","0.71073","MoKα","","0.0994","0.0594","","","0.1105","0.123","","","","","","1.068","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074280","6.9056","0.0006","6.8752","0.0006","20.0834","0.0017","90","","91.165","0.001","90","","953.31","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl4 Ir2 O2 -","- C16 H22 Cl4 Ir2 O2 -","- C32 H44 Cl8 Ir4 O4 -","2","0.5","","Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; López, Ana M.; Oñate, Enrique; Ruiz-Sánchez, Pilar","Iridium(I), Iridium(III), and Iridium(V) Complexes Containing the (2-Methoxyethyl)cyclopentadienyl Ligand†","Organometallics","2006","25","21","5131","","10.1021/om060511f","","","0.71073","MoKα","","0.0289","0.0234","","","0.0457","0.0468","","","","","","0.984","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074281","15.259","0.0009","8.6367","0.0005","22.3225","0.0013","90","","108.006","0.001","90","","2797.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 B2 F8 Ir N2 O P -","- C21 H38 B2 F8 Ir N2 O P -","- C84 H152 B8 F32 Ir4 N8 O4 P4 -","4","1","","Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; López, Ana M.; Oñate, Enrique; Ruiz-Sánchez, Pilar","Iridium(I), Iridium(III), and Iridium(V) Complexes Containing the (2-Methoxyethyl)cyclopentadienyl Ligand†","Organometallics","2006","25","21","5131","","10.1021/om060511f","","","0.71073","MoKα","","0.0362","0.0275","","","0.0527","0.0545","","","","","","0.942","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074282","13.9744","0.0013","14.0514","0.0013","10.1937","0.001","90","","96.276","0.002","90","","1989.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 I3 Ir2 O2 -","- C16 H23 I3 Ir2 O2 -","- C64 H92 I12 Ir8 O8 -","4","0.5","","Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; López, Ana M.; Oñate, Enrique; Ruiz-Sánchez, Pilar","Iridium(I), Iridium(III), and Iridium(V) Complexes Containing the (2-Methoxyethyl)cyclopentadienyl Ligand†","Organometallics","2006","25","21","5131","","10.1021/om060511f","","","0.71073","MoKα","","0.0438","0.0295","","","0.0468","0.0489","","","","","","0.917","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074283","14.644","0.0001","20.529","0.0002","22.644","0.0002","90","","104.403","0.0004","90","","6593.44","0.1","180","2","180","2","","","","","","","synthesized by the authors","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H82 Ag B33 O4 Sn2 -","- C47 H82 Ag B33 O4 Sn2 -","- C188 H328 Ag4 B132 O16 Sn8 -","4","0.5","","Kašná, Blanka; Jambor, Roman; Dostál, Libor; Císařová, Ivana; Holeček, Jaroslav; Štíbr, Bohumil","Stabilization of Triaryltin(IV) Cations Containing an O,C,O-Coordinating Pincer-Type Ligand. Isolation of a New [Ag(1-CB11H12)3]2-Anion","Organometallics","2006","25","21","5139","","10.1021/om060516c","","","0.71073","MoKα","","0.0335","0.0285","","","0.0728","0.0757","","","","","","1.055","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074284","12.557","0.0004","13.493","0.0005","14.545","0.0003","64.615","0.0016","88.619","0.0016","65.708","0.0012","1994.32","0.11","150","2","150","2","","","","","","","synthesized by the authors","7","P -1","-P 1","2","","","","- C27 H46 B18 Cl3 Co O2 Sn -","- C27 H46 B18 Cl3 Co O2 Sn -","- C54 H92 B36 Cl6 Co2 O4 Sn2 -","2","1","","Kašná, Blanka; Jambor, Roman; Dostál, Libor; Císařová, Ivana; Holeček, Jaroslav; Štíbr, Bohumil","Stabilization of Triaryltin(IV) Cations Containing an O,C,O-Coordinating Pincer-Type Ligand. Isolation of a New [Ag(1-CB11H12)3]2-Anion","Organometallics","2006","25","21","5139","","10.1021/om060516c","","","0.71073","MoKα","","0.0821","0.0438","","","0.0808","0.094","","","","","","1.018","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074285","22.428","0.0001","14.053","0.0002","26.975","0.0003","90","","90","","90","","8502","0.16","150","2","150","2","","","","","","","synthesized by the authors","6","P b c a","-P 2ac 2ab","61","","","","- C32 H57 B18 Co O2 Sn -","- C32 H57 B18 Co O2 Sn -","- C256 H456 B144 Co8 O16 Sn8 -","8","1","","Kašná, Blanka; Jambor, Roman; Dostál, Libor; Císařová, Ivana; Holeček, Jaroslav; Štíbr, Bohumil","Stabilization of Triaryltin(IV) Cations Containing an O,C,O-Coordinating Pincer-Type Ligand. Isolation of a New [Ag(1-CB11H12)3]2-Anion","Organometallics","2006","25","21","5139","","10.1021/om060516c","","","0.71073","MoKα","","0.0889","0.047","","","0.1079","0.1273","","","","","","1.022","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074286","11.896","0.002","12.275","0.002","22.478","0.004","86.183","0.003","89.019","0.003","61.05","0.003","2865.4","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.3333 H38 Ag2 F6 N8.6667 O8 S2 -","- C27.3333 H38 Ag2 F6 N8.66667 O8 S2 -","- C82 H114 Ag6 F18 N26 O24 S6 -","3","1.5","","Nielsen, David J.; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.","Silver(I) and Palladium(II) Complexes of an Ether-Functionalized Quasi-pincer Bis-carbene Ligand and Its Alkyl Analogue","Organometallics","2006","25","20","4850","","10.1021/om0605175","","","0.71073","MoKα","","0.082","0.051","","0.073","","0.065","","","1.153","","","1.251","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074287","15.599","0.003","6.435","0.001","17.479","0.003","90","","99.433","0.004","90","","1730.8","0.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H40 Ag4 Br4 N8 -","- C26 H40 Ag4 Br4 N8 -","- C52 H80 Ag8 Br8 N16 -","2","0.5","","Nielsen, David J.; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.","Silver(I) and Palladium(II) Complexes of an Ether-Functionalized Quasi-pincer Bis-carbene Ligand and Its Alkyl Analogue","Organometallics","2006","25","20","4850","","10.1021/om0605175","","","0.71073","MoKα","","0.084","0.077","","0.122","","0.119","","","1.175","","","1.197","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074288","11.685","0.0009","11.8826","0.0009","13.559","0.001","90","","93.115","0.002","90","","1879.9","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 B Cl F4 N5 O Pd -","- C14 H21 B Cl F4 N5 O Pd -","- C56 H84 B4 Cl4 F16 N20 O4 Pd4 -","4","1","","Nielsen, David J.; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.","Silver(I) and Palladium(II) Complexes of an Ether-Functionalized Quasi-pincer Bis-carbene Ligand and Its Alkyl Analogue","Organometallics","2006","25","20","4850","","10.1021/om0605175","","","0.71073","MoKα","","0.07","0.036","","0.039","","0.034","","","0.947","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074289","12.5398","0.0003","15.8864","0.0004","20.9492","0.0005","73.012","0.001","88.179","0.001","80.249","0.001","3932.88","0.17","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Compound 2","","","- C77 H86 B Cl2 F24 Mo N O3 -","- C77.007 H86.016 B Cl2 F24 Mo N O3 -","- C154.014 H172.032 B2 Cl4 F48 Mo2 N2 O6 -","2","1","","Tonzetich, Zachary J.; Jiang, Annie J.; Schrock, Richard R.; Müller, Peter","Cationic Imido Alkylidene Complexes of Molybdenum Supported by β-Diketonate and β-Diketiminate Ligands","Organometallics","2006","25","20","4725","","10.1021/om060518x","","","0.71073","MoKα","","0.0671","0.0578","","","0.1673","0.1763","","","","","","1.051","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074290","12.701","0.001","15.1067","0.0012","19.2234","0.0013","93.61","0.002","96.934","0.002","92.006","0.002","3650.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Compound 5","","","- C72 H56 B Cl6 F24 Mo N3 -","- C72 H56 B Cl6 F24 Mo N3 -","- C144 H112 B2 Cl12 F48 Mo2 N6 -","2","1","","Tonzetich, Zachary J.; Jiang, Annie J.; Schrock, Richard R.; Müller, Peter","Cationic Imido Alkylidene Complexes of Molybdenum Supported by β-Diketonate and β-Diketiminate Ligands","Organometallics","2006","25","20","4725","","10.1021/om060518x","","","0.71073","MoKα","","0.0795","0.0525","","","0.1238","0.1393","","","","","","1.018","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074291","9.164","0.0003","12.108","0.0004","21.654","0.0008","87.541","0.002","85.78","0.003","69.55","0.002","2244.77","0.14","220","2","220","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C24 H72 Ca Mg N4 Si8 -","- C24.054 H72.162 Ca Mg N4 Si8 -","- C48.108 H144.324 Ca2 Mg2 N8 Si16 -","2","1","","Wendell, Lauren T.; Bender, John; He, Xuyang; Noll, Bruce C.; Henderson, Kenneth W.","Heterodimetallic Alkaline Earth Metal Amides: Synthesis, Structure, and Solvent-Induced Charge Separation of Homoleptic Calcium−Magnesium Hexamethyldisilazide","Organometallics","2006","25","21","4953","","10.1021/om060521g","","x-ray","0.71073","MoKα","","0.0853","0.0544","","","0.1102","0.1243","","","","","","1.055","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074292","8.0711","0.0009","10.0012","0.0011","19.182","0.002","86.711","0.002","85.086","0.002","68.912","0.002","1438.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 Mo2 O2 P -","- C30 H39 Mo2 O2 P -","- C60 H78 Mo4 O4 P2 -","2","1","","Amor, Inmaculada; García, M. Esther; Ruiz, Miguel A.; Sáez, David; Hamidov, Hayrullo; Jeffery, John C.","Formation and Cleavage of P−C, Mo−C, and C−H Bonds Involving Arylphosphinidene and Cyclopentadienyl Ligands at Dimolybdenum Centers","Organometallics","2006","25","20","4857","","10.1021/om0605229","","x-ray","0.71074","MoKα","","0.0333","0.0233","","","0.0545","0.0574","","","","","","1.024","","","","has coordinates","288091","2023-12-06","15:51:22",""
"4074293","31.069","0.006","11.668","0.002","18.673","0.004","90","","92.56","0.03","90","","6762","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H96 Mo4 N2 O4 P2 -","- C70 H96 Mo4 N2 O4 P2 -","- C280 H384 Mo16 N8 O16 P8 -","4","1","","Amor, Inmaculada; García, M. Esther; Ruiz, Miguel A.; Sáez, David; Hamidov, Hayrullo; Jeffery, John C.","Formation and Cleavage of P−C, Mo−C, and C−H Bonds Involving Arylphosphinidene and Cyclopentadienyl Ligands at Dimolybdenum Centers","Organometallics","2006","25","20","4857","","10.1021/om0605229","","x-ray","0.71074","MoKα","","0.0967","0.0888","","","0.2277","0.2326","","","","","","1.043","","","","has coordinates,has disorder","288091","2023-12-06","15:51:22",""
"4074294","10.559","0.002","22.18","0.004","14.337","0.003","90","","96.19","0.03","90","","3338.1","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 Cl Cu Mo2 O2 P -","- C34 H44 Cl Cu Mo2 O2 P -","- C136 H176 Cl4 Cu4 Mo8 O8 P4 -","4","1","","Amor, Inmaculada; García, M. Esther; Ruiz, Miguel A.; Sáez, David; Hamidov, Hayrullo; Jeffery, John C.","Formation and Cleavage of P−C, Mo−C, and C−H Bonds Involving Arylphosphinidene and Cyclopentadienyl Ligands at Dimolybdenum Centers","Organometallics","2006","25","20","4857","","10.1021/om0605229","","x-ray","0.71074","MoKα","","0.0549","0.0411","","","0.0855","0.0906","","","","","","1.064","","","","has coordinates","288091","2023-12-06","15:51:22",""
"4074295","14.008","0.0005","15.9391","0.0005","14.0745","0.0005","90","","90.194","0.001","90","","3142.46","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Cl Cu Mo2 O3 P -","- C31 H39 Cl Cu Mo2 O3 P -","- C124 H156 Cl4 Cu4 Mo8 O12 P4 -","4","1","","Amor, Inmaculada; García, M. Esther; Ruiz, Miguel A.; Sáez, David; Hamidov, Hayrullo; Jeffery, John C.","Formation and Cleavage of P−C, Mo−C, and C−H Bonds Involving Arylphosphinidene and Cyclopentadienyl Ligands at Dimolybdenum Centers","Organometallics","2006","25","20","4857","","10.1021/om0605229","","x-ray","0.71074","MoKα","","0.048","0.0278","","","0.0608","0.0666","","","","","","1.003","","","","has coordinates","288091","2023-12-06","15:51:22",""
"4074296","16.6326","0.001","17.7374","0.001","23.2781","0.0013","78.961","0.001","75.591","0.001","73.828","0.001","6332.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H57 N6 Rh -","- C62 H57 N6 Rh -","- C248 H228 N24 Rh4 -","4","2","","Zhang, Lirong; Fung, Chun Wah; Chan, Kin Shing","Mechanistic Studies of Si−CN and C−NC Bond Activation of Silylnitriles and Alkyl Isonitriles by Rhodium Porphyrin Radical: Novel Cyanide Transfer","Organometallics","2006","25","22","5381","","10.1021/om0605276","","","0.71073","MoKα","","0.1933","0.0902","","","0.2825","0.332","","","","","","0.998","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074297","17.0381","0.0007","17.1927","0.0007","19.91","0.0008","90","","108.911","0.001","90","","5517.4","0.4","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H61 N2 Ni O P -","- C56 H61 N2 Ni O P -","- C224 H244 N8 Ni4 O4 P4 -","4","1","","Waltman, Andrew W.; Ritter, Tobias; Grubbs, Robert H.","Rearrangement of N-Heterocylic Carbenes Involving Heterocycle Cleavage","Organometallics","2006","25","18","4238","","10.1021/om060528y","","","0.71073","MoKα","","0.0567","0.0389","","","0.0698","0.071","","","","","","1.802","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074298","10.466","0.0007","30.57","0.002","15.425","0.001","90","","102.905","0.001","90","","4810.5","0.5","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H67 N2 Ni O P -","- C59 H67 N2 Ni O P -","- C236 H268 N8 Ni4 O4 P4 -","4","1","","Waltman, Andrew W.; Ritter, Tobias; Grubbs, Robert H.","Rearrangement of N-Heterocylic Carbenes Involving Heterocycle Cleavage","Organometallics","2006","25","18","4238","","10.1021/om060528y","","","0.71073","MoKα","","0.091","0.0484","","","0.0816","0.0879","","","","","","1.277","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074299","24.675","0.004","6.7882","0.001","16.172","0.002","90","","95.473","0.002","90","","2696.4","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","05138","","","- C33.5 H31 Cl Cr2 -","- C30 H27 Cl Cr2 -","- C120 H108 Cl4 Cr8 -","4","1","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Brooks, Neil R.; Kucera, Benjamin E.; Young, Victor G.","High-Spin and Spin-Crossover Behavior in Monomethylated Bis(indenyl)chromium(II) Complexes","Organometallics","2006","25","21","4945","","10.1021/om060534u","","","0.71073","MoKα","","0.1619","0.0849","","","0.1924","0.219","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074300","8.703","0.003","7.814","0.002","11.732","0.004","90","","99.357","0.006","90","","787.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","02125","","","- C20 H18 Cr -","- C20 H18 Cr -","- C40 H36 Cr2 -","2","0.5","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Brooks, Neil R.; Kucera, Benjamin E.; Young, Victor G.","High-Spin and Spin-Crossover Behavior in Monomethylated Bis(indenyl)chromium(II) Complexes","Organometallics","2006","25","21","4945","","10.1021/om060534u","","","0.71073","MoKα","","0.0792","0.0491","","","0.1128","0.1296","","","","","","1.052","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074301","12.266","0.003","9.718","0.002","12.391","0.003","90","","96.56","0.004","90","","1467.3","0.6","105","2","105","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","03031a","","","- C20 H18 Cr -","- C20 H18 Cr -","- C80 H72 Cr4 -","4","1","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Brooks, Neil R.; Kucera, Benjamin E.; Young, Victor G.","High-Spin and Spin-Crossover Behavior in Monomethylated Bis(indenyl)chromium(II) Complexes","Organometallics","2006","25","21","4945","","10.1021/om060534u","","","0.71073","MoKα","","0.0609","0.0477","","","0.124","0.1341","","","","","","1.078","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074302","12.3215","0.0012","9.7409","0.0009","12.5025","0.0012","90","","97.049","0.002","90","","1489.2","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","01308","","","- C20 H18 Cr -","- C20 H18 Cr -","- C80 H72 Cr4 -","4","1","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Brooks, Neil R.; Kucera, Benjamin E.; Young, Victor G.","High-Spin and Spin-Crossover Behavior in Monomethylated Bis(indenyl)chromium(II) Complexes","Organometallics","2006","25","21","4945","","10.1021/om060534u","","","0.71073","MoKα","","0.0471","0.0378","","","0.0932","0.1024","","","","","","1.048","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074303","12.438","0.004","9.792","0.003","12.739","0.004","90","","96.179","0.005","90","","1542.5","0.8","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","03012a","","","- C20 H18 Cr -","- C20 H18 Cr -","- C80 H72 Cr4 -","4","1","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Brooks, Neil R.; Kucera, Benjamin E.; Young, Victor G.","High-Spin and Spin-Crossover Behavior in Monomethylated Bis(indenyl)chromium(II) Complexes","Organometallics","2006","25","21","4945","","10.1021/om060534u","","","0.71073","MoKα","","0.0587","0.0475","","","0.1324","0.1432","","","","","","1.063","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074304","9.4833","0.0009","12.6243","0.0013","19.2691","0.0019","90","","98.991","0.002","90","","2278.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 N P -","- C31 H24 N P -","- C124 H96 N4 P4 -","4","1","","Freund, Christelle; Barros, Noémi; Gornitzka, Heinz; Martin-Vaca, Blanca; Maron, Laurent; Bourissou, Didier","Enforced η1-Fluorenyl Coordination to Rhodium(I) with the [FluPPh2NPh]-Ligand","Organometallics","2006","25","20","4927","","10.1021/om0605377","","","0.71073","MoKα","","0.0716","0.044","","","0.1005","0.113","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074305","9.6858","0.0008","11.6141","0.001","13.675","0.0011","106.982","0.001","94.884","0.002","96.293","0.002","1451.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H31 N P Rh -","- C38 H31 N P Rh -","- C76 H62 N2 P2 Rh2 -","2","1","","Freund, Christelle; Barros, Noémi; Gornitzka, Heinz; Martin-Vaca, Blanca; Maron, Laurent; Bourissou, Didier","Enforced η1-Fluorenyl Coordination to Rhodium(I) with the [FluPPh2NPh]-Ligand","Organometallics","2006","25","20","4927","","10.1021/om0605377","","","0.71073","MoKα","","0.0505","0.0353","","","0.0777","0.0835","","","","","","1.02","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074306","38.889","0.006","10.2786","0.0013","35.177","0.004","90","","116.908","0.004","90","","12539","3","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Li2 N6 O2 -","- C28 H44 Li2 N6 O2 -","- C448 H704 Li32 N96 O32 -","16","2","","Ong, Tiow-Gan; O'Brien, Julie S.; Korobkov, Ilia; Richeson, Darrin S.","Facile and Atom-Efficient Amidolithium-Catalyzed C‒C and C‒N Formation for the Construction of Substituted Guanidines and Propiolamidines","Organometallics","2006","25","20","4728","4730","10.1021/om060539r","","","0.71073","MoKα","","0.0958","0.0622","","","0.1566","0.1804","","","","","","1.018","","","","has coordinates","210319","2020-10-21","18:00:00",""
"4074307","10.3998","0.0014","19.173","0.003","9.2415","0.0012","90","","90","","90","","1842.7","0.4","198","2","198","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H28 Li N3 O -","- C17 H28 Li N3 O -","- C68 H112 Li4 N12 O4 -","4","1","","Ong, Tiow-Gan; O'Brien, Julie S.; Korobkov, Ilia; Richeson, Darrin S.","Facile and Atom-Efficient Amidolithium-Catalyzed C‒C and C‒N Formation for the Construction of Substituted Guanidines and Propiolamidines","Organometallics","2006","25","20","4728","4730","10.1021/om060539r","","","0.71073","MoKα","","0.0736","0.0475","","","0.1006","0.1115","","","","","","1.03","","","","has coordinates","210319","2020-10-21","18:00:00",""
"4074308","16.9689","0.0016","12.9934","0.0012","13.3075","0.0013","90","","97.011","0.002","90","","2912.1","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H54 N4 O Si2 -","- C24 H54 N4 O Si2 -","- C96 H216 N16 O4 Si8 -","4","0.5","","Li, Wenjian; Hill, Nicholas J.; Tomasik, Adam C.; Bikzhanova, Galina; West, Robert","A New Monomeric Saturated N-Heterocyclic Silylene as a Racemic Mixture","Organometallics","2006","25","16","3802","","10.1021/om060544v","","","0.71073","Mo-Kα","","0.0542","0.0466","","","0.1217","0.1287","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074309","7.1046","0.0007","15.7731","0.0016","15.4582","0.0015","90","","98.539","0.002","90","","1713.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Br2 N2 Si -","- C12 H26 Br2 N2 Si -","- C48 H104 Br8 N8 Si4 -","4","1","","Li, Wenjian; Hill, Nicholas J.; Tomasik, Adam C.; Bikzhanova, Galina; West, Robert","A New Monomeric Saturated N-Heterocyclic Silylene as a Racemic Mixture","Organometallics","2006","25","16","3802","","10.1021/om060544v","","","0.71073","Mo-Kα","","0.0751","0.0415","","","0.0966","0.1153","","","","","","1.151","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074310","7.157","0.0018","10.942","0.003","17.298","0.004","90","","95.285","0.005","90","","1348.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 N4 O2 Si2 -","- C24 H52 N4 O2 Si2 -","- C48 H104 N8 O4 Si4 -","2","0.5","","Li, Wenjian; Hill, Nicholas J.; Tomasik, Adam C.; Bikzhanova, Galina; West, Robert","A New Monomeric Saturated N-Heterocyclic Silylene as a Racemic Mixture","Organometallics","2006","25","16","3802","","10.1021/om060544v","","","0.71073","Mo-Kα","","0.0552","0.0454","","","0.1186","0.1279","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074311","14.0824","0.0004","20.0887","0.0006","22.2465","0.0005","90","","99.805","0.001","90","","6201.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H68 N3 O3 P Zr -","- C56 H59.2 N2.4 O2.4 P0.8 Zr0.8 -","- C280 H296 N12 O12 P4 Zr4 -","5","1.25","","Thomson, Robert K.; Bexrud, Jason A.; Schafer, Laurel L.","A Pentagonal Pyramidal Zirconium Imido Complex for Catalytic Hydroamination of Unactivated Alkenes","Organometallics","2006","25","17","4069","","10.1021/om060545n","","","0.71073","MoKα","","0.0576","0.0364","","","0.0921","0.1011","","","","","","1.031","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074312","20.8563","0.0014","9.1712","0.0006","18.3901","0.0012","90","","100.707","0.001","90","","3456.4","0.4","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","trans-tricyclohexylphosphino-tetracarbonyl-chromium-bis(trimethylsilyl) aminoborylene","trans-tricyclohexylphosphino-tetracarbonyl-chromium-bis(trimethylsilyl) aminoborylene","","- C28 H51 B Cr N O4 P Si2 -","- C28 H51 B Cr N O4 P Si2 -","- C112 H204 B4 Cr4 N4 O16 P4 Si8 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Rais, Daniela; Uttinger, Katharina","Synthesis and Reactivity of Semibridging Borylene Complexes","Organometallics","2006","25","21","5159","","10.1021/om0605480","","","0.71073","MoKα","","0.0417","0.0383","","","0.1043","0.1074","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074313","10.293","0.004","16.264","0.007","21.535","0.009","90","","90.285","0.008","90","","3605","3","193","2","193","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","mu-borylenechromiumpalladium","mu-Carbonyl-mu-bis(trimethylsilyl)aminoborylene tetracarbonylchromiumtricyclohexylphosphinopalladium","","- C29 H51 B Cr N O5 P Pd Si2 -","- C29 H51 B Cr N O5 P Pd Si2 -","- C116 H204 B4 Cr4 N4 O20 P4 Pd4 Si8 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Rais, Daniela; Uttinger, Katharina","Synthesis and Reactivity of Semibridging Borylene Complexes","Organometallics","2006","25","21","5159","","10.1021/om0605480","","","0.71073","MoKα","","0.0304","0.026","","","0.0662","0.0686","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074314","12.1893","0.0003","13.438","0.0004","16.1074","0.0004","96.579","0.001","100.985","0.001","96.473","0.001","2548.38","0.12","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","tricarbonyl-tricyclohexylphosphino-tungsten(mu-carbonyl) (mu-bis(trimethylsilyl)aminoborylene)tricyclohexylphosphino-platinum","","- C46 H84 B N O4 P2 Pt Si2 W -","- C46 H84 B N O4 P2 Pt Si2 W -","- C92 H168 B2 N2 O8 P4 Pt2 Si4 W2 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Rais, Daniela; Uttinger, Katharina","Synthesis and Reactivity of Semibridging Borylene Complexes","Organometallics","2006","25","21","5159","","10.1021/om0605480","","","0.71073","MoKα","","0.0247","0.0225","","","0.057","0.0584","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074315","8.4612","0.0017","16.31","0.003","22.242","0.004","90","","98.27","0.03","90","","3037.5","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 Cl2 Fe2 N O2 S -","- C32 H31 Cl2 Fe2 N O2 S -","- C128 H124 Cl8 Fe8 N4 O8 S4 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Unprecedented Zwitterionic Iminium−Chalcogenide Bridging Ligands in Diiron Complexes","Organometallics","2006","25","20","4808","","10.1021/om060550r","","","0.71073","MoKα","","0.0756","0.0498","","","0.1276","0.1409","","","","","","0.977","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074316","8.3952","0.0017","8.8375","0.0018","17.233","0.003","76.57","0.03","82.09","0.03","61.98","0.03","1097.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Fe2 N O2 Se -","- C25 H25 Fe2 N O2 Se -","- C50 H50 Fe4 N2 O4 Se2 -","2","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Unprecedented Zwitterionic Iminium−Chalcogenide Bridging Ligands in Diiron Complexes","Organometallics","2006","25","20","4808","","10.1021/om060550r","","","0.71073","MoKα","","0.0774","0.0536","","","0.1311","0.1448","","","","","","0.987","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074317","10.498","0.002","13.149","0.003","16.805","0.003","90","","101.91","0.03","90","","2269.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Fe2 N O3 -","- C25 H25 Fe2 N O3 -","- C100 H100 Fe8 N4 O12 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Unprecedented Zwitterionic Iminium−Chalcogenide Bridging Ligands in Diiron Complexes","Organometallics","2006","25","20","4808","","10.1021/om060550r","","","0.71073","MoKα","","0.0665","0.0435","","","0.1082","0.1188","","","","","","1.001","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074318","9.5043","0.0019","10.032","0.002","10.085","0.002","113.79","0.03","102.08","0.03","95.94","0.03","841.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Fe N O S -","- C18 H19 Fe N O S -","- C36 H38 Fe2 N2 O2 S2 -","2","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Unprecedented Zwitterionic Iminium−Chalcogenide Bridging Ligands in Diiron Complexes","Organometallics","2006","25","20","4808","","10.1021/om060550r","","","0.71073","MoKα","","0.0468","0.0425","","","0.1153","0.1201","","","","","","1.04","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074319","12.947","0.003","16.041","0.004","17.013","0.005","90","","90","","90","","3533.3","1.6","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H21 Fe N O S -","- C19 H21 Fe N O S -","- C152 H168 Fe8 N8 O8 S8 -","8","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Unprecedented Zwitterionic Iminium−Chalcogenide Bridging Ligands in Diiron Complexes","Organometallics","2006","25","20","4808","","10.1021/om060550r","","","0.71073","MoKα","","0.1556","0.1156","","","0.1996","0.2183","","","","","","1.325","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074320","9.5171","0.0007","10.1009","0.0007","10.3488","0.0007","70.386","0.001","81.207","0.001","86.606","0.001","926.07","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 Li2 N2 O6 -","- C38 H56 Li2 N2 O6 -","- C38 H56 Li2 N2 O6 -","1","0.5","","Jantzi, Kevin L.; Guzei, Ilia A.; Reich, Hans J.","Solution and Solid-State Structures of Lithiated Phenyloxazolines","Organometallics","2006","25","22","5390","","10.1021/om060551j","","","0.71073","MoKα","","0.0693","0.0539","","","0.1419","0.1499","","","","","","0.995","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074321","11.3874","0.0008","12.8331","0.0009","15.1799","0.001","108.836","0.001","90.405","0.001","115.692","0.001","1863.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 Li2 N2 O4 -","- C38 H56 Li2 N2 O4 -","- C76 H112 Li4 N4 O8 -","2","1","","Jantzi, Kevin L.; Guzei, Ilia A.; Reich, Hans J.","Solution and Solid-State Structures of Lithiated Phenyloxazolines","Organometallics","2006","25","22","5390","","10.1021/om060551j","","","0.71073","MoKα","","0.0528","0.0467","","","0.1313","0.1356","","","","","","1.055","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074322","26.38","0.004","8.1346","0.0012","17.813","0.003","90","","105.124","0.002","90","","3690.1","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2,6-Diisopropylphenyl)-3-(3-sulfonatopropyl)imidazolium hemihydrate","","- C18 H27 N2 O3.5 S -","- C18 H27 N2 O3.5 S -","- C144 H216 N16 O28 S8 -","8","1","","Moore, Lucas R.; Cooks, Sheritta M.; Anderson, Matthew S.; Schanz, Hans-Jörg; Griffin, Scott T.; Rogers, Robin D.; Kirk, Marion C.; Shaughnessy, Kevin H.","Synthesis and Characterization of Water-Soluble Silver and Palladium Imidazol-2-ylidene Complexes with Noncoordinating Anionic Substituents","Organometallics","2006","25","21","5151","","10.1021/om060552b","","","0.71073","MoKα","","0.0696","0.0406","","","0.0936","0.1041","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074323","8.1383","0.001","8.3237","0.0011","12.7636","0.0017","81.437","0.002","81.868","0.002","78.118","0.002","831.16","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-Mesityl-3-(3-sulfonatopropyl)imidazolium hydrate","","- C15 H22 N2 O4 S -","- C15 H22 N2 O4 S -","- C30 H44 N4 O8 S2 -","2","1","","Moore, Lucas R.; Cooks, Sheritta M.; Anderson, Matthew S.; Schanz, Hans-Jörg; Griffin, Scott T.; Rogers, Robin D.; Kirk, Marion C.; Shaughnessy, Kevin H.","Synthesis and Characterization of Water-Soluble Silver and Palladium Imidazol-2-ylidene Complexes with Noncoordinating Anionic Substituents","Organometallics","2006","25","21","5151","","10.1021/om060552b","","","0.71073","MoKα","","0.0542","0.0416","","","0.1125","0.119","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074324","12.5852","0.001","12.9823","0.001","18.973","0.0015","104.37","0.001","103.996","0.001","98.913","0.001","2836.5","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Bis(1-(2,6-Diisopropylphenyl)-3-(3-sulfonatopropyl)imidazol-2-ylidene) = silver sodium salt","","- C44 H74 Ag N4 Na O10 S6 -","- C44 H74 Ag N4 Na O10 S6 -","- C88 H148 Ag2 N8 Na2 O20 S12 -","2","1","","Moore, Lucas R.; Cooks, Sheritta M.; Anderson, Matthew S.; Schanz, Hans-Jörg; Griffin, Scott T.; Rogers, Robin D.; Kirk, Marion C.; Shaughnessy, Kevin H.","Synthesis and Characterization of Water-Soluble Silver and Palladium Imidazol-2-ylidene Complexes with Noncoordinating Anionic Substituents","Organometallics","2006","25","21","5151","","10.1021/om060552b","","","0.71073","MoKα","","0.0553","0.0476","","","0.1292","0.1359","","","","","","1.039","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074325","24.5187","0.0013","14.2738","0.0007","13.8951","0.0007","90","","116.712","0.001","90","","4344","0.4","260","2","260","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H4 F12 Hg3 O -","- C20.5 H4 F12 Hg3 O -","- C164 H32 F96 Hg24 O8 -","8","1","","Tikhonova, Irina A.; Yakovenko, Andrey A.; Tugashov, Kirill I.; Dolgushin, Fedor M.; Novikov, Valentin V.; Antipin, Mikhail Yu.; Shur, Vladimir B.","Selective Binding of the Keto Form of Acetylacetone by Cyclic Trimeric Perfluoro-o-phenylenemercury. Quantitative Shift of the Keto−Enol Equilibrium in Acetylacetone Toward Its Keto Form Stabilized by the Complexation","Organometallics","2006","25","26","6155","","10.1021/om060556g","","","0.71073","MoKα","","0.0896","0.0486","","","0.092","0.1018","","","","","","1.036","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4074326","34.278","0.007","18.508","0.004","11.287","0.002","90","","97.78","0.03","90","","7095","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H27 P2 Tl -","- C15 H27 P2 Tl -","- C240 H432 P32 Tl16 -","16","2","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.1201","0.0854","","","0.1904","0.2077","","","","","","1.119","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074327","9.121","0.0002","18.126","0.0003","20.44","0.0004","90","","98.737","0.001","90","","3340.08","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 P4 Sn -","- C30 H54 P4 Sn -","- C120 H216 P16 Sn4 -","4","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.0638","0.0415","","","0.088","0.0972","","","","","","1.019","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074328","9.119","0.0002","18.113","0.0003","20.603","0.0004","90","","98.703","0.001","90","","3363.87","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 P4 Pb -","- C30 H54 P4 Pb -","- C120 H216 P16 Pb4 -","4","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.0746","0.0427","","","0.0884","0.1005","","","","","","1.022","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074329","13.249","0.003","17.212","0.003","22.615","0.005","87.67","0.03","83.94","0.03","89.49","0.03","5124.1","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H83 N3 P2 Sn -","- C52 H83 N3 P2 Sn -","- C208 H332 N12 P8 Sn4 -","4","2","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.1262","0.0693","","","0.1014","0.1158","","","","","","1.054","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074330","19.036","0.004","14.1","0.003","19.674","0.004","90","","117.6","0.03","90","","4680","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H75 N3 P2 Sn -","- C47 H75 N3 P2 Sn -","- C188 H300 N12 P8 Sn4 -","4","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.0712","0.055","","","0.1283","0.1368","","","","","","1.029","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074331","8.414","0.0017","11.287","0.002","17.484","0.004","104.26","0.03","90.6","0.03","93.64","0.03","1605.4","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H45 P3 Sn -","- C34 H45 P3 Sn -","- C68 H90 P6 Sn2 -","2","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.0256","0.0238","","","0.0563","0.0574","","","","","","1.013","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074332","10.548","0.002","16.508","0.003","19.768","0.004","90","","101.65","0.03","90","","3371.2","1.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 P3 Sn -","- C34 H45 P3 Sn -","- C136 H180 P12 Sn4 -","4","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.0913","0.0678","","","0.1493","0.1614","","","","","","1.061","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074333","10.659","0.002","16.457","0.003","19.767","0.004","90","","101.43","0.03","90","","3398.7","1.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 P3 Pb -","- C34 H45 P3 Pb -","- C136 H180 P12 Pb4 -","4","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.1111","0.0697","","","0.1197","0.1329","","","","","","1.121","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074334","9.907","0.002","34.873","0.007","10.523","0.002","90","","102.46","0.03","90","","3549.9","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 Cl N3 Sn -","- C37 H56 Cl N3 Sn -","- C148 H224 Cl4 N12 Sn4 -","4","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.0423","0.0294","","","0.061","0.065","","","","","","1.03","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074335","9.2399","0.0018","19.446","0.004","17.459","0.004","90","","98.03","0.03","90","","3106.3","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Cl N3 Sn -","- C32 H48 Cl N3 Sn -","- C128 H192 Cl4 N12 Sn4 -","4","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.0425","0.0357","","","0.0844","0.0879","","","","","","1.052","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074336","9.6051","0.0013","9.9781","0.0013","10.4687","0.0014","111.552","0.002","90.165","0.002","108.708","0.002","875.5","0.2","273","2","273","2","","","","","","","","4","P 1","P 1","1","","(4aR,8aR)-tetrahydro-2,4,4,6,8,8-hexaphenyl-[1,3,2]dioxaborinino [5,4-d][1,3,2]dioxaborinine","","- C40 H32 B2 O5 -","- C40 H32 B2 O5 -","- C40 H32 B2 O5 -","1","1","","Zhou, Yan; Shan, Zixing; Wang, Baoshan; Xie, Peng","Hydrolytically Stable Tricoordinate Chiral Bicyclo[4.4.0]diboronic Ester: Synthesis, Structural Characterization, and Theoretical Investigation†","Organometallics","2006","25","20","4917","","10.1021/om060559t","","","0.71073","MoKα","","0.0773","0.0602","","","0.149","0.1654","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074337","6.1159","0.0004","13.2116","0.0014","19.8763","0.0016","90","","94.58","0.009","90","","1600.9","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 O6 Si -","- C16 H16 O6 Si -","- C64 H64 O24 Si4 -","4","0.5","","Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold","Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)","Organometallics","2006","25","22","5396","","10.1021/om060562c","","","0.71073","MoKα","","0.0448","0.038","","","0.1074","0.111","","","","","","1.085","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074338","6.3816","0.0006","18.6027","0.0014","13.6152","0.0012","90","","102.442","0.011","90","","1578.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O4 Si -","- C18 H16 O4 Si -","- C72 H64 O16 Si4 -","4","1","","Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold","Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)","Organometallics","2006","25","22","5396","","10.1021/om060562c","","","0.71073","MoKα","","0.0456","0.0336","","","0.0874","0.0914","","","","","","1.046","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074339","9.6792","0.0019","12.734","0.003","13.605","0.003","104.81","0.03","100.98","0.03","91.51","0.03","1586.5","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 O10 S2 Si -","- C32 H32 O10 S2 Si -","- C64 H64 O20 S4 Si2 -","2","1","","Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold","Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)","Organometallics","2006","25","22","5396","","10.1021/om060562c","","","0.71073","MoKα","","0.0609","0.0421","","","0.1097","0.1172","","","","","","1.043","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074340","10.3219","0.0006","11.117","0.0007","30.546","0.002","90","","90","","90","","3505.1","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cl N O4 Si -","- C18 H20 Cl N O4 Si -","- C144 H160 Cl8 N8 O32 Si8 -","8","1","","Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold","Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)","Organometallics","2006","25","22","5396","","10.1021/om060562c","","","0.71073","MoKα","","0.0528","0.0373","","","0.0933","0.0998","","","","","","1.023","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074341","43.378","0.009","6.6111","0.0013","9.4509","0.0019","90","","99.34","0.03","90","","2674.4","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H30 N2 O7 Si -","- C29 H30 N2 O7 Si -","- C116 H120 N8 O28 Si4 -","4","1","","Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold","Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)","Organometallics","2006","25","22","5396","","10.1021/om060562c","","","0.71073","MoKα","","0.0444","0.0288","","","0.0556","0.0598","","","","","","0.908","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074342","12.3275","0.0002","17.0832","0.0003","19.6578","0.0004","101.451","0.001","103.195","0.001","103.745","0.001","3772.65","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H88 N4 Na4 P4 Si4 -","- C74 H88 N4 Na4 P4 Si4 -","- C148 H176 N8 Na8 P8 Si8 -","2","1","","Hull, Katherine L.; Noll, Bruce C.; Henderson, Kenneth W.","Structural Characterization and Dynamic Solution Behavior of the Disodio and Lithio−Sodio Geminal Organodimetallics [{{Ph2P(Me3Si)N}2CNa2}2] and [{{Ph2P(Me3Si)N}2CLiNa}2]","Organometallics","2006","25","17","4072","","10.1021/om0605635","","x-ray","0.71073","MoKα","","0.0408","0.0324","","","0.0848","0.0921","","","","","","1.04","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074343","14.57","0.0006","14.5952","0.0006","18.6933","0.0008","91.53","0.003","105.048","0.002","104.295","0.002","3702.4","0.3","100","2","100","2","","","","","","","synthesized","7","P -1","-P 1","2","","","","- C74 H88 Li2 N4 Na2 P4 Si4 -","- C74 H88 Li2 N4 Na2 P4 Si4 -","- C148 H176 Li4 N8 Na4 P8 Si8 -","2","1","","Hull, Katherine L.; Noll, Bruce C.; Henderson, Kenneth W.","Structural Characterization and Dynamic Solution Behavior of the Disodio and Lithio−Sodio Geminal Organodimetallics [{{Ph2P(Me3Si)N}2CNa2}2] and [{{Ph2P(Me3Si)N}2CLiNa}2]","Organometallics","2006","25","17","4072","","10.1021/om0605635","","x-ray","0.71073","MoKα","","0.0878","0.0404","","","0.0929","0.1195","","","","","","1.057","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074344","10.007","","13.1496","0.0002","21.9466","0.0003","84.321","0.001","89.819","0.001","71.355","0.001","2721.67","0.06","566","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H14 N2 O7 Os3 -","- C83 H14 N2 O7 Os3 -","- C166 H28 N4 O14 Os6 -","2","1","","Lee, Chang Yeon; Park, Bo Keun; Yoon, Jung Hee; Hong, Chang Seop; Park, Joon T.","Syntheses, Structures, and Electrochemical Properties of Os3(CO)9-n(CNCH2Ph)n(μ3-η2:η2:η2-C60) (n= 2−4)","Organometallics","2006","25","19","4634","","10.1021/om060566h","","","0.71073","MoKα","","0.0906","0.071","","","0.2083","0.227","","","","","","1.037","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074345","12.794","0.003","32.934","0.007","13.326","0.003","90","","93.81","0.03","90","","5603","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H21 N3 O6 Os3 -","- C90 H21 N3 O6 Os3 -","- C360 H84 N12 O24 Os12 -","4","1","","Lee, Chang Yeon; Park, Bo Keun; Yoon, Jung Hee; Hong, Chang Seop; Park, Joon T.","Syntheses, Structures, and Electrochemical Properties of Os3(CO)9-n(CNCH2Ph)n(μ3-η2:η2:η2-C60) (n= 2−4)","Organometallics","2006","25","19","4634","","10.1021/om060566h","","","0.71073","MoKα","","0.102","0.0587","","","0.1157","0.129","","","","","","1.025","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074346","9.9255","0.0007","14.3279","0.0009","22.9116","0.0015","73.164","0.002","83.004","0.002","75.24","0.002","3011.7","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H28 N4 O5 Os3 -","- C97 H28 N4 O5 Os3 -","- C194 H56 N8 O10 Os6 -","2","1","","Lee, Chang Yeon; Park, Bo Keun; Yoon, Jung Hee; Hong, Chang Seop; Park, Joon T.","Syntheses, Structures, and Electrochemical Properties of Os3(CO)9-n(CNCH2Ph)n(μ3-η2:η2:η2-C60) (n= 2−4)","Organometallics","2006","25","19","4634","","10.1021/om060566h","","","0.71073","MoKα","","0.0992","0.0624","","","0.1524","0.1797","","","","","","1.028","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074347","7.5461","0.0008","18.4617","0.0019","13.6904","0.0014","90","","100.049","0.001","90","","1878","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N P -","- C20 H28 N P -","- C80 H112 N4 P4 -","4","1","","Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.","Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions","Organometallics","2006","25","21","4985","","10.1021/om060569u","","","0.71073","MoKα","","0.0567","0.0446","","","0.1191","0.1305","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074348","9.898","0.0016","18.636","0.003","12.627","0.002","90","","92.086","0.002","90","","2327.6","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Cl3 N P Ti -","- C20 H27 Cl3 N P Ti -","- C80 H108 Cl12 N4 P4 Ti4 -","4","1","","Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.","Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions","Organometallics","2006","25","21","4985","","10.1021/om060569u","","","0.71073","MoKα","","0.0455","0.0371","","","0.1002","0.1075","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074349","10.1625","0.0018","23.486","0.004","11.204","0.002","90","","115.851","0.002","90","","2406.5","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 N P Ti -","- C23 H36 N P Ti -","- C92 H144 N4 P4 Ti4 -","4","1","","Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.","Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions","Organometallics","2006","25","21","4985","","10.1021/om060569u","","","0.71073","MoKα","","0.064","0.0471","","","0.1467","0.1926","","","","","","0.743","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074350","36.987","0.007","8.9097","0.0017","20.268","0.004","90","","120.594","0.002","90","","5749.4","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H45 N4 P Ti -","- C26 H45 N4 P Ti -","- C208 H360 N32 P8 Ti8 -","8","1","","Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.","Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions","Organometallics","2006","25","21","4985","","10.1021/om060569u","","","0.71073","MoKα","","0.0963","0.0589","","","0.1573","0.1868","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074351","11.705","0.011","16.532","0.015","18.632","0.017","89.866","0.01","89.743","0.009","84.667","0.01","3590","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H54 N4 P Zr -","- C32 H54 N4 P Zr -","- C128 H216 N16 P4 Zr4 -","4","2","","Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.","Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions","Organometallics","2006","25","21","4985","","10.1021/om060569u","","","0.71073","MoKα","","0.069","0.0477","","","0.1285","0.1502","","","","","","1.014","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074352","15.766","0.004","10.345","0.003","15.789","0.004","90","","105.277","0.002","90","","2484.2","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 N P Zr -","- C23 H36 N P Zr -","- C92 H144 N4 P4 Zr4 -","4","1","","Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.","Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions","Organometallics","2006","25","21","4985","","10.1021/om060569u","","","0.71073","MoKα","","0.0672","0.0379","","","0.0863","0.0963","","","","","","0.728","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074353","10.176","0.002","32.413","0.008","14.192","0.003","90","","102.166","0.003","90","","4575.9","1.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H60 Cl2 N2 P2 Ti -","- C46 H60 Cl2 N2 P2 Ti -","- C184 H240 Cl8 N8 P8 Ti4 -","4","1","","Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.","Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions","Organometallics","2006","25","21","4985","","10.1021/om060569u","","","0.71073","MoKα","","0.098","0.0518","","","0.1195","0.1474","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074354","10.881","0.008","14.128","0.009","19.276","0.014","76.05","0.012","85.226","0.011","84.859","0.012","2858","3","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 B Cl5 N6 S3 Zr -","- C18 H22 B Cl5 N6 S3 Zr -","- C72 H88 B4 Cl20 N24 S12 Zr4 -","4","2","","Buccella, Daniela; Shultz, Abraham; Melnick, Jonathan G.; Konopka, Felicia; Parkin, Gerard","Cp[TmMe]ZrCl2, a Tris(2-mercapto-1-methylimidazolyl)hydroborato Complex of Zirconium and a New Type of Precatalyst for Olefin Polymerization","Organometallics","2006","25","22","5496","","10.1021/om060571l","","","0.71073","MoKα","","0.0949","0.0711","","","0.1997","0.2196","","","","","","1.049","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074355","31.623","0.005","19.517","0.005","20.576","0.005","90","","125.645","0.005","90","","10320","4","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H59 Cl2 F6 Fe P3 Ru -","- C54.5 H60 Cl F6 Fe P3 Ru -","- C436 H480 Cl8 F48 Fe8 P24 Ru8 -","8","1","","Shaw-Taberlet, Jennifer A.; Sinbandhit, Sourisak; Roisnel, Thierry; Hamon, Jean-René; Lapinte, Claude","Stereoelectronic Effects of the Arenophile (η5-Cp*)Ru+in Electron-Rich σ-Arylacetylide Iron Complexes Including Redox-Driven Haptotropic Rearrangement: An Approach toward Readable Binary Molecular Memory Components","Organometallics","2006","25","22","5311","","10.1021/om060575q","","x-ray","0.71069","MoKα","","0.1082","0.048","","","0.1034","0.1454","","","","","","1.145","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074356","8.549","0.0004","11.9143","0.0006","19.4745","0.0009","91.627","0.002","100.166","0.003","103.78","0.002","1891.09","0.16","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C48 H46 Fe P2 -","- C48 H46 Fe P2 -","- C96 H92 Fe2 P4 -","2","1","","Shaw-Taberlet, Jennifer A.; Sinbandhit, Sourisak; Roisnel, Thierry; Hamon, Jean-René; Lapinte, Claude","Stereoelectronic Effects of the Arenophile (η5-Cp*)Ru+in Electron-Rich σ-Arylacetylide Iron Complexes Including Redox-Driven Haptotropic Rearrangement: An Approach toward Readable Binary Molecular Memory Components","Organometallics","2006","25","22","5311","","10.1021/om060575q","","x-ray","0.71073","MoKα","","0.0612","0.0426","","","0.1062","0.1201","","","","","","1.117","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074357","12.611","0.005","15.465","0.005","15.726","0.005","73.519","0.005","79.923","0.005","72.445","0.005","2790.6","1.7","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C59 H63 Cl2 F6 Fe P3 Ru -","- C59 H63 Cl2 F6 Fe P3 Ru -","- C118 H126 Cl4 F12 Fe2 P6 Ru2 -","2","1","","Shaw-Taberlet, Jennifer A.; Sinbandhit, Sourisak; Roisnel, Thierry; Hamon, Jean-René; Lapinte, Claude","Stereoelectronic Effects of the Arenophile (η5-Cp*)Ru+in Electron-Rich σ-Arylacetylide Iron Complexes Including Redox-Driven Haptotropic Rearrangement: An Approach toward Readable Binary Molecular Memory Components","Organometallics","2006","25","22","5311","","10.1021/om060575q","","x-ray","0.71069","MoKα","","0.0845","0.0565","","","0.1669","0.1941","","","","","","1.026","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074358","16.716","0.002","17.619","0.003","23.037","0.004","75.913","0.014","71.718","0.013","62.844","0.011","5691.7","1.7","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C128 H138 F12 Fe2 O3 P6 Ru2 -","- C128 H138 F12 Fe2 O3 P6 Ru2 -","- C256 H276 F24 Fe4 O6 P12 Ru4 -","2","1","","Shaw-Taberlet, Jennifer A.; Sinbandhit, Sourisak; Roisnel, Thierry; Hamon, Jean-René; Lapinte, Claude","Stereoelectronic Effects of the Arenophile (η5-Cp*)Ru+in Electron-Rich σ-Arylacetylide Iron Complexes Including Redox-Driven Haptotropic Rearrangement: An Approach toward Readable Binary Molecular Memory Components","Organometallics","2006","25","22","5311","","10.1021/om060575q","","x-ray","0.71073","MoKα","","0.0962","0.0568","","","0.1332","0.1522","","","","","","1.044","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074359","14.684","0.002","16.898","0.002","19.798","0.002","90","","90.927","0.008","90","","4911.8","1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H70 Cl N3 O2 P Rh -","- C53 H70 Cl N3 O2 P Rh -","- C212 H280 Cl4 N12 O8 P4 Rh4 -","4","1","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","Rhodium(III) Peroxo Complexes Containing Carbene and Phosphine Ligands","Organometallics","2006","25","20","4870","","10.1021/om060576i","","","0.71069","MoKα","","0.0907","0.0398","","","0.0549","0.0613","","","","","","0.822","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074360","12.0059","0.0004","31.748","0.0012","10.2883","0.0004","90","","108.068","0.002","90","","3728.1","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H44 Cl N3 O2 P Rh -","- C41 H44 Cl N3 O2 P Rh -","- C164 H176 Cl4 N12 O8 P4 Rh4 -","4","1","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","Rhodium(III) Peroxo Complexes Containing Carbene and Phosphine Ligands","Organometallics","2006","25","20","4870","","10.1021/om060576i","","","0.71073","MoKα","","0.043","0.03","","","0.0678","0.0723","","","","","","1.046","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074361","10.7428","0.0008","12.6053","0.0012","28.474","0.002","90","","90","","90","","3855.8","0.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H41 Cl N O2 P2 Rh -","- C44 H41 Cl N O2 P2 Rh -","- C176 H164 Cl4 N4 O8 P8 Rh4 -","4","1","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","Rhodium(III) Peroxo Complexes Containing Carbene and Phosphine Ligands","Organometallics","2006","25","20","4870","","10.1021/om060576i","","","0.71073","MoKα","","0.066","0.0415","","","0.0887","0.1001","","","","","","0.979","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074362","8.182","0.0008","15.327","0.0012","11.917","0.0016","90","","108.192","0.008","90","","1419.8","0.3","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 Cl2 N4 Pd -","- C11 H16 Cl2 N4 Pd -","- C44 H64 Cl8 N16 Pd4 -","4","2","","Ahrens, Sebastian; Zeller, Alexander; Taige, Maria; Strassner, Thomas","Extension of the Alkane Bridge in BisNHC−Palladium−Chloride Complexes. Synthesis, Structure, and Catalytic Activity","Organometallics","2006","25","22","5409","","10.1021/om060577a","","","0.71073","MoKα","","0.0251","0.0231","","","0.0565","0.0578","","","","","","1.08","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074363","8.718","0.0008","9.056","0.0006","12.966","0.0016","75.813","0.007","84.518","0.009","78.738","0.006","972.11","0.17","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H24 Cl2 N4 O Pd S -","- C14 H24 Cl2 N4 O Pd S -","- C28 H48 Cl4 N8 O2 Pd2 S2 -","2","1","","Ahrens, Sebastian; Zeller, Alexander; Taige, Maria; Strassner, Thomas","Extension of the Alkane Bridge in BisNHC−Palladium−Chloride Complexes. Synthesis, Structure, and Catalytic Activity","Organometallics","2006","25","22","5409","","10.1021/om060577a","","","0.71073","MoKα","","0.0295","0.025","","","0.06","0.0625","","","","","","1.059","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074364","7.78","0.0005","8.219","0.0005","13.702","0.0006","92.519","0.006","102.089","0.006","104.242","0.005","826.17","0.09","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H18 Cl2 N4 O Pd S -","- C11 H18 Cl2 N4 O Pd S -","- C22 H36 Cl4 N8 O2 Pd2 S2 -","2","1","","Ahrens, Sebastian; Zeller, Alexander; Taige, Maria; Strassner, Thomas","Extension of the Alkane Bridge in BisNHC−Palladium−Chloride Complexes. Synthesis, Structure, and Catalytic Activity","Organometallics","2006","25","22","5409","","10.1021/om060577a","","","0.71073","MoKα","","0.0139","0.0132","","","0.0341","0.0344","","","","","","1.004","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074365","10.14","0.0015","8.394","0.0004","15.221","0.002","90","","90","","90","","1295.5","0.3","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cl2 N4 Pd -","- C10 H14 Cl2 N4 Pd -","- C40 H56 Cl8 N16 Pd4 -","4","1","","Ahrens, Sebastian; Zeller, Alexander; Taige, Maria; Strassner, Thomas","Extension of the Alkane Bridge in BisNHC−Palladium−Chloride Complexes. Synthesis, Structure, and Catalytic Activity","Organometallics","2006","25","22","5409","","10.1021/om060577a","","","0.71073","MoKα","","0.0233","0.0188","","","0.0374","0.0384","","","","","","1.042","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074366","8.269","0.001","16.138","0.001","21.988","0.001","90","","95.745","0.001","90","","2919.5","0.4","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 B N8 O5 P W -","- C24 H36 B N8 O5 P W -","- C96 H144 B4 N32 O20 P4 W4 -","4","1","","Welch, Kevin D.; Smith, Philip L.; Keller, Andrew P.; Myers, William H.; Sabat, Michal; Harman, W. Dean","Osmium(II)-, Rhenium(I)-, and Tungsten(0)-Promoted Dipolar Cycloaddition Reactions with Pyrroles: Exploiting the Azomethine Ylide Character of This Heterocycle","Organometallics","2006","25","21","5067","","10.1021/om060586j","","","0.71074","MoKα","","0.0739","0.0433","","","0.0943","0.1033","","","","","","1.052","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074367","10.3411","0.0006","21.7042","0.0013","15.9464","0.001","90","","108.795","0.001","90","","3388.2","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 B N9 O5 Re -","- C26 H33 B N9 O5 Re -","- C104 H132 B4 N36 O20 Re4 -","4","1","","Welch, Kevin D.; Smith, Philip L.; Keller, Andrew P.; Myers, William H.; Sabat, Michal; Harman, W. Dean","Osmium(II)-, Rhenium(I)-, and Tungsten(0)-Promoted Dipolar Cycloaddition Reactions with Pyrroles: Exploiting the Azomethine Ylide Character of This Heterocycle","Organometallics","2006","25","21","5067","","10.1021/om060586j","","","0.71073","MoKα","","0.0411","0.0321","","","0.1067","0.1088","","","","","","1.094","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074368","10.571","0.0008","17.7226","0.0014","17.9379","0.0015","90","","90","","90","","3360.6","0.5","293","2","293","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C30 H54 N6 O2 Ti -","- C30 H54 N6 O2 Ti -","- C120 H216 N24 O8 Ti4 -","4","1","","Lee, Alison V.; Schafer, Laurel L.","Group 4 Bis(pyrimidinoxide) Complexes. Investigations of Electronic Effects in Catalytic Hydroamination","Organometallics","2006","25","22","5249","","10.1021/om060587b","","","0.7108","MoKα","","0.0518","0.0388","","","0.0987","0.1057","","","","","","1.024","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074369","15.3557","0.0009","17.0718","0.001","27.053","0.0013","90","","90.235","0.002","90","","7091.9","0.7","293","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H96 N10 O5 Zr2 -","- C56 H96 N10 O5 Zr2 -","- C224 H384 N40 O20 Zr8 -","4","1","","Lee, Alison V.; Schafer, Laurel L.","Group 4 Bis(pyrimidinoxide) Complexes. Investigations of Electronic Effects in Catalytic Hydroamination","Organometallics","2006","25","22","5249","","10.1021/om060587b","","","0.71073","MoKα","","0.1038","0.0851","","","0.266","0.2791","","","","","","1.134","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074370","7.702","0.0014","12.171","0.002","14.506","0.003","103.233","0.003","101.973","0.003","104.272","0.003","1231.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 Ir N2 O3.5 -","- C27 H31 Ir N2 O3.5 -","- C54 H62 Ir2 N4 O7 -","2","1","","Ho, Joanne Hui Hui; Black, David St Clair; Messerle, Barbara Ann; Clegg, Jack Kay; Turner, Peter","Reactive Indolyl Complexes of Group 9 Metals","Organometallics","2006","25","24","5800","","10.1021/om060591n","","","0.71073","MoKα","","0.0182","0.0173","","","0.0455","0.0459","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074371","12.8861","0.0014","8.498","0.0009","19.738","0.002","90","","107.691","0.002","90","","2059.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C100 H92 N12 O8 -","4","1","","Ho, Joanne Hui Hui; Black, David St Clair; Messerle, Barbara Ann; Clegg, Jack Kay; Turner, Peter","Reactive Indolyl Complexes of Group 9 Metals","Organometallics","2006","25","24","5800","","10.1021/om060591n","","","0.71073","MoKα","","0.0673","0.048","","","0.1253","0.1376","","","","","","1.047","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074372","11.099","0.002","27.469","0.006","13.464","0.003","90","","111.39","0.03","90","","3822.1","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Ir N2 O4 -","- C21 H19 Ir N2 O4 -","- C168 H152 Ir8 N16 O32 -","8","2","","Ho, Joanne Hui Hui; Black, David St Clair; Messerle, Barbara Ann; Clegg, Jack Kay; Turner, Peter","Reactive Indolyl Complexes of Group 9 Metals","Organometallics","2006","25","24","5800","","10.1021/om060591n","","","0.71073","MoKα","","0.0389","0.0263","","","0.0811","0.0936","","","","","","0.971","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074373","11.1206","0.0004","27.5135","0.001","13.4874","0.0005","90","","111.6","0.002","90","","3836.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N2 O4 Rh -","- C21 H19 N2 O4 Rh -","- C168 H152 N16 O32 Rh8 -","8","2","","Ho, Joanne Hui Hui; Black, David St Clair; Messerle, Barbara Ann; Clegg, Jack Kay; Turner, Peter","Reactive Indolyl Complexes of Group 9 Metals","Organometallics","2006","25","24","5800","","10.1021/om060591n","","","0.71073","MoKα","","0.0355","0.0276","","","0.0606","0.0627","","","","","","1.175","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074374","10.3295","0.0006","12.7493","0.0008","19.349","0.0012","90","","95.828","0.001","90","","2535","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 B N7 O4 P W -","- C22 H27 B N7 O4 P W -","- C88 H108 B4 N28 O16 P4 W4 -","4","1","","Ha, Yunkyoung; Dilsky, Stefan; Graham, Peter M.; Liu, Weijun; Reichart, Timothy M.; Sabat, Michal; Keane, Joseph M.; Harman, W. Dean","Development of Group 6 Dearomatization Agents","Organometallics","2006","25","21","5184","","10.1021/om060597c","","","0.71073","MoKα","","0.023","0.0187","","","0.0406","0.0412","","","","","","0.978","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074375","12.104","0.005","12.574","0.005","12.884","0.005","78.262","0.005","70.304","0.005","81.282","0.005","1800.2","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H50 Cl2 N8 Ni O5 -","- C29 H50 Cl2 N8 Ni O5 -","- C58 H100 Cl4 N16 Ni2 O10 -","2","1","","Yang, Qing-Zheng; Kermagoret, Anthony; Agostinho, Magno; Siri, Olivier; Braunstein, Pierre","Nickel Complexes with Functional ZwitterionicN,O-Benzoquinonemonoimine-Type Ligands: Syntheses, Structures, and Catalytic Oligomerization of Ethylene","Organometallics","2006","25","23","5518","","10.1021/om060600s","","","0.71069","MoKα","","0.1245","0.0921","","","0.2347","0.2492","","","","","","0.823","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074376","7.571","0.001","9.9","0.001","23.534","0.004","90","","104.1","0.05","90","","1710.8","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cl2 N4 Ni O2 -","- C14 H24 Cl2 N4 Ni O2 -","- C56 H96 Cl8 N16 Ni4 O8 -","4","1","","Yang, Qing-Zheng; Kermagoret, Anthony; Agostinho, Magno; Siri, Olivier; Braunstein, Pierre","Nickel Complexes with Functional ZwitterionicN,O-Benzoquinonemonoimine-Type Ligands: Syntheses, Structures, and Catalytic Oligomerization of Ethylene","Organometallics","2006","25","23","5518","","10.1021/om060600s","","","0.7107","MoKα","","0.0441","0.033","","","0.0911","0.0959","","","","","","1.107","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074377","21.429","0.012","14.402","0.008","22.384","0.018","90","","118.519","0.008","90","","6070","7","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H6 B2 F20 O3 -","- C31 H6 B2 F20 O3 -","- C248 H48 B16 F160 O24 -","8","1","","Mitu, Simona; Baird, Michael C.","Carboxylic Acids as Lewis Bases: Structures and Properties of Strongly Acidic Carboxylic Acid Adducts of B(C6F5)3","Organometallics","2006","25","20","4888","","10.1021/om060601k","","","0.71073","MoKα","","0.1321","0.0551","","","0.0651","0.0725","","","","","","0.922","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074378","10.1619","0.0011","14.3044","0.0014","15.1871","0.0015","90","","91.076","0.002","90","","2207.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H8 B F15 O2 -","- C22 H8 B F15 O2 -","- C88 H32 B4 F60 O8 -","4","1","","Mitu, Simona; Baird, Michael C.","Carboxylic Acids as Lewis Bases: Structures and Properties of Strongly Acidic Carboxylic Acid Adducts of B(C6F5)3","Organometallics","2006","25","20","4888","","10.1021/om060601k","","","0.71073","MoKα","","0.0559","0.0329","","","0.0562","0.0596","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074379","16.3487","0.0009","7.8575","0.0004","17.2294","0.0009","90","","108.447","0.001","90","","2099.56","0.19","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cl4 N Ti -","- C18 H21 Cl4 N Ti -","- C72 H84 Cl16 N4 Ti4 -","4","1","","Joung, Ui Gab; Wu, Chun Ji; Lee, Sang Hoon; Lee, Choong Hoon; Lee, Eun Jung; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","Phenylene-Bridged Cp/Carboxamide Ligands for Titanium Complexes of Various Binding Modes and Their Ethylene/1-Octene Copolymerization","Organometallics","2006","25","21","5122","","10.1021/om060604x","","","0.71073","MoKα","","0.1017","0.0463","","","0.1128","0.1514","","","","","","1.093","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074380","7.0671","0.0017","18.778","0.005","16.371","0.004","90","","95.393","0.005","90","","2162.9","0.9","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl4 N O0 Ti -","- C19 H23 Cl4 N Ti -","- C76 H92 Cl16 N4 Ti4 -","4","1","","Joung, Ui Gab; Wu, Chun Ji; Lee, Sang Hoon; Lee, Choong Hoon; Lee, Eun Jung; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","Phenylene-Bridged Cp/Carboxamide Ligands for Titanium Complexes of Various Binding Modes and Their Ethylene/1-Octene Copolymerization","Organometallics","2006","25","21","5122","","10.1021/om060604x","","","0.71073","MoKα","","0.1951","0.0684","","","0.1461","0.1945","","","","","","0.885","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074381","10.4334","0.0005","12.0665","0.0006","12.184","0.0006","69.908","0.001","71.362","0.001","83.755","0.001","1365","0.12","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 Cl4 N Ti -","- C26 H25 Cl4 N Ti -","- C52 H50 Cl8 N2 Ti2 -","2","1","","Joung, Ui Gab; Wu, Chun Ji; Lee, Sang Hoon; Lee, Choong Hoon; Lee, Eun Jung; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","Phenylene-Bridged Cp/Carboxamide Ligands for Titanium Complexes of Various Binding Modes and Their Ethylene/1-Octene Copolymerization","Organometallics","2006","25","21","5122","","10.1021/om060604x","","","0.71073","MoKα","","0.0585","0.04","","","0.1091","0.1227","","","","","","1.031","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074382","9.538","0.005","13.643","0.003","15.072","0.013","90","0.001","106.012","0.001","90","0.001","1885.2","1.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl2 F2 N O Ti -","- C18 H19 Cl2 F2 N O Ti -","- C72 H76 Cl8 F8 N4 O4 Ti4 -","4","1","","Joung, Ui Gab; Wu, Chun Ji; Lee, Sang Hoon; Lee, Choong Hoon; Lee, Eun Jung; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","Phenylene-Bridged Cp/Carboxamide Ligands for Titanium Complexes of Various Binding Modes and Their Ethylene/1-Octene Copolymerization","Organometallics","2006","25","21","5122","","10.1021/om060604x","","","0.71073","MoKα","","0.1074","0.0802","","","0.169","0.195","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074383","9.086","0.0004","10.0478","0.0005","11.6051","0.0005","77.736","0.001","80.202","0.001","70.421","0.001","969.79","0.08","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H29 N O Ti -","- C21 H29 N O Ti -","- C42 H58 N2 O2 Ti2 -","2","1","","Joung, Ui Gab; Wu, Chun Ji; Lee, Sang Hoon; Lee, Choong Hoon; Lee, Eun Jung; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","Phenylene-Bridged Cp/Carboxamide Ligands for Titanium Complexes of Various Binding Modes and Their Ethylene/1-Octene Copolymerization","Organometallics","2006","25","21","5122","","10.1021/om060604x","","","0.71073","MoKα","","0.0438","0.0367","","","0.1021","0.1083","","","","","","1.055","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074384","8.7346","0.0006","14.7363","0.001","12.2135","0.0008","90","","106.193","0.001","90","","1509.7","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H28 B P Si2 -","- C9 H28 B P Si2 -","- C36 H112 B4 P4 Si8 -","4","1","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Heavier Alkali Metal Complexes of a Silicon- and Phosphine-Borane-Stabilized Carbanion","Organometallics","2006","25","22","5326","","10.1021/om0606082","","","0.6709","synchrotron","","0.0476","0.0366","","","0.0996","0.1064","","","","","","1.038","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074385","9.645","0.002","13.1887","0.0013","22.357","0.003","90","","94.057","0.019","90","","2836.8","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H47 B Na O2 P Si2 -","- C17 H43 B Na O2 P Si2 -","- C68 H172 B4 Na4 O8 P4 Si8 -","4","1","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Heavier Alkali Metal Complexes of a Silicon- and Phosphine-Borane-Stabilized Carbanion","Organometallics","2006","25","22","5326","","10.1021/om0606082","","","0.71073","MoKα","","0.0741","0.056","","","0.1625","0.172","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074386","15.881","0.004","13.618","0.004","16.5","0.004","90","0.005","112.415","0.005","90","0.005","3298.8","1.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H27 B K P Si2 -","- C9 H27 B K P Si2 -","- C72 H216 B8 K8 P8 Si16 -","8","2","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Heavier Alkali Metal Complexes of a Silicon- and Phosphine-Borane-Stabilized Carbanion","Organometallics","2006","25","22","5326","","10.1021/om0606082","","","0.71073","MoKα","","0.0759","0.0676","","","0.1256","0.1279","","","","","","1.425","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074387","16.216","0.002","13.691","0.003","16.924","0.003","90","","113.387","0.012","90","","3448.7","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H27 B P Rb Si2 -","- C9 H27 B P Rb Si2 -","- C72 H216 B8 P8 Rb8 Si16 -","8","2","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Heavier Alkali Metal Complexes of a Silicon- and Phosphine-Borane-Stabilized Carbanion","Organometallics","2006","25","22","5326","","10.1021/om0606082","","","0.71073","MoKα","","0.0949","0.0419","","","0.0642","0.0771","","","","","","1.046","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074388","9.0555","0.0012","11.9069","0.0016","14.6279","0.0019","102.165","0.002","94.135","0.002","105.163","0.002","1474.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H50 B Cs N3 P Si2 -","- C18 H50 B Cs N3 P Si2 -","- C36 H100 B2 Cs2 N6 P2 Si4 -","2","1","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Heavier Alkali Metal Complexes of a Silicon- and Phosphine-Borane-Stabilized Carbanion","Organometallics","2006","25","22","5326","","10.1021/om0606082","","","0.71073","MoKα","","0.0564","0.049","","","0.0876","0.0894","","","","","","1.358","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074389","13.719","0.005","18.172","0.006","8.247","0.003","90","","90","","90","","2056","1.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H42 N2 O4 Sm2 -","- C36 H42 N2 O4 Sm2 -","- C72 H84 N4 O8 Sm4 -","2","0.5","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.0694","0.0514","","","0.1565","0.1733","","","","","","1.065","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074390","13.822","0.005","18.293","0.006","7.949","0.003","90","","90","","90","","2009.9","1.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H42 N2 O4 Yb2 -","- C36 H42 N2 O4 Yb2 -","- C72 H84 N4 O8 Yb4 -","2","0.5","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.0727","0.0516","","","0.1347","0.1458","","","","","","1.066","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074391","11.699","0.004","18.752","0.006","12.686","0.004","90","","110.629","0.004","90","","2604.6","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 Cl4 Er2 Li2 N2 O4 -","- C50 H60 Cl4 Er2 Li2 N2 O4 -","- C100 H120 Cl8 Er4 Li4 N4 O8 -","2","0.5","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.0621","0.0349","","","0.0809","0.0975","","","","","","1.137","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074392","10.2","0.007","10.495","0.007","11.609","0.008","108.676","0.011","93.357","0.011","90.25","0.011","1174.9","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H54 Cl4 Li2 N2 O4 Sm2 -","- C44 H54 Cl4 Li2 N2 O4 Sm2 -","- C44 H54 Cl4 Li2 N2 O4 Sm2 -","1","0.5","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.1307","0.0906","","","0.1882","0.2056","","","","","","0.946","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074393","9.215","0.002","11.225","0.003","15.391","0.004","100.531","0.005","92.436","0.005","90.513","0.005","1563.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H90 N6 Sm2 -","- C68 H90 N6 Sm2 -","- C68 H90 N6 Sm2 -","1","0.5","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.1257","0.0742","","","0.1427","0.1649","","","","","","1.025","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074394","11.566","0.004","13.722","0.005","15.778","0.005","94.33","0.004","105.602","0.004","106.489","0.004","2281.2","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H140 N8 O4 Si4 Sm2 -","- C88 H140 N8 O4 Si4 Sm2 -","- C88 H140 N8 O4 Si4 Sm2 -","1","0.5","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.0611","0.0437","","","0.1175","0.1348","","","","","","1.087","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074395","9.144","0.008","11.761","0.01","10.372","0.009","90","","103.654","0.013","90","","1083.9","1.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N -","- C14 H13 N -","- C56 H52 N4 -","4","1","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.0751","0.0473","","","0.1202","0.1352","","","","","","1.029","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074396","16.6168","0.0003","9.066","0.0002","17.3742","0.0004","90","","114.96","0.01","90","","2372.9","0.2","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","Ti(NtBu)(Me3[9]aneN3)Me2 . C6H6","","- C21 H42 N4 Ti -","- C21 H42 N4 Ti -","- C84 H168 N16 Ti4 -","4","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","","0.0506","","","","0.0617","","","","","","1.0439","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074397","35.1006","0.0008","8.354","0.0002","13.6754","0.0004","90","","95.7541","0.0008","90","","3989.84","0.18","150","","150","","","","","","","","?","4","C 1 2/c 1","-C 2yc","15","","Ti(NiPr)(Me3[9]aneN3)Me2 . 0.5 C6H6","","- C17 H37 N4 Ti -","- C17 H37 N4 Ti -","- C136 H296 N32 Ti8 -","8","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","","0.0417","","","","0.0238","","","","","","1.0661","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074398","11.632","0.0004","13.6112","0.0006","12.2864","0.0006","90","","103.72","0.0015","90","","1889.75","0.14","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","Ti(NPh)(Me3[9]aneN3)Me2","","- C17 H32 N4 Ti -","- C17 H32 N4 Ti -","- C68 H128 N16 Ti4 -","4","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","0.0958","0.0449","","0.0902","0.0544","0.0544","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074399","8.5573","0.0002","14.108","0.0002","18.5066","0.0002","90","","90","","90","","2234.23","0.07","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","Ti(N-3,5-C6H3(CF3)2)(Me3[9]aneN3)Me2","","- C19 H30 F6 N4 Ti -","- C19 H30 F6 N4 Ti -","- C76 H120 F24 N16 Ti4 -","4","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","0.0508","0.0414","","0.0574","0.0487","0.0487","","","","","","1.0932","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074400","9.1367","0.0003","16.2609","0.0005","16.4873","0.0005","90","","93.5206","0.0016","90","","2444.91","0.13","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","Ti(N-2,6-C6H3iPr2)(Me3[9]aneN3)Me2","","- C23 H44 N4 Ti -","- C23 H44 N4 Ti -","- C92 H176 N16 Ti4 -","4","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","0.0845","0.0461","","0.0754","0.0532","0.0532","","","","","","1.1097","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074401","9.2576","0.0002","15.0649","0.0003","16.0266","0.0003","90","","98.1573","0.0011","90","","2212.53","0.08","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 N4 Ti -","- C21 H40 N4 Ti -","- C84 H160 N16 Ti4 -","4","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","0.0599","0.0469","","0.0697","0.0603","0.0603","","","","","","1.0353","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074402","19.3811","0.0003","17.6247","0.0003","15.6532","0.0003","90","","107.627","0.001","90","","5095.86","0.16","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","[Ti(NPh)(Me3[9]aneN3){MeC(NiPr)2}][BArF4] . CH2Cl2","","- C48 H45 B Cl2 F20 N6 Ti -","- C48 H45 B Cl2 F20 N6 Ti -","- C192 H180 B4 Cl8 F80 N24 Ti4 -","4","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","0.0623","0.0332","","0.0587","0.0387","0.0387","","","","","","1.0929","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074403","10.3213","0.0018","15.712","0.003","28.338","0.005","90","","90","","90","","4595.5","1.4","218","2","218","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H59 P3 Pt -","- C40 H59 P3 Pt -","- C160 H236 P12 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0373","0.0326","","","0.0855","0.0865","","","","","","1.01","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074404","12.549","0.0009","23.1943","0.0016","18.1986","0.0012","90","","96.711","0.001","90","","5260.7","0.6","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H75 P3 Pt -","- C48 H74.5 P3 Pt -","- C192 H298 P12 Pt4 -","4","2","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0568","0.0472","","","0.1141","0.1191","","","","","","1.034","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074405","10.2606","0.001","18.4791","0.0019","41.283","0.004","90","","90","","90","","7827.5","1.3","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H54 I P3 Pt -","- C34 H54 I P3 Pt -","- C272 H432 I8 P24 Pt8 -","8","2","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0476","0.0386","","","0.0872","0.0899","","","","","","1.028","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074406","9.935","0.002","17.704","0.004","22.109","0.005","90","","90","","90","","3888.7","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H54 Cl D6 P3 Pt -","- C40 H60 Cl P3 Pt -","- C160 H240 Cl4 P12 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0504","0.0423","","","0.0933","0.0964","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074407","9.9966","0.0015","19.761","0.002","24.836","0.004","90","","90","","90","","4906.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H80 P4 Pt -","- C50 H80 P4 Pt -","- C200 H320 P16 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0338","0.0284","","","0.0536","0.0548","","","","","","0.962","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074408","11.0214","0.0018","13.219","0.002","30.925","0.005","90","","90","","90","","4505.5","1.2","218","2","218","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H60 B Cl2 F4 P3 Pt -","- C41 H60 B Cl2 F4 P3 Pt -","- C164 H240 B4 Cl8 F16 P12 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0322","0.029","","","0.0638","0.065","","","","","","1.001","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074409","8.326","0.004","20.847","0.01","23.51","0.11","90","","90","","90","","4081","19","208","2","208","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 B Cl F4 P3 Pt -","- C34 H55 B Cl F4 P3 Pt -","- C136 H220 B4 Cl4 F16 P12 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0894","0.0641","","","0.1229","0.131","","","","","","1.057","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074410","10.049","0.002","40.208","0.008","10.13","0.002","90","","107.384","0.003","90","","3906.1","1.3","208","2","208","2","","","","","","","","6","P 1 21 1","P 2yb","4","glu224","glu224","","- C75 H116 Cl2 O2 P6 Pt2 -","- C75 H116 Cl2 O2 P6 Pt2 -","- C150 H232 Cl4 O4 P12 Pt4 -","2","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0529","0.0491","","","0.1161","0.1176","","","","","","1.088","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074411","13.7555","0.0007","11.4276","0.0006","20.4538","0.0011","90","","98.648","0.001","90","","3178.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 Cl2 N3 Ru -","- C34 H43 Cl2 N3 Ru -","- C136 H172 Cl8 N12 Ru4 -","4","1","","Hejl, Andrew; Day, Michael W.; Grubbs, Robert H.","Latent Olefin Metathesis Catalysts Featuring Chelating Alkylidenes","Organometallics","2006","25","26","6149","","10.1021/om060620u","","","0.71073","MoKα","","0.0831","0.0593","","","0.1034","0.1064","","","","","","2.222","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074412","13.5715","0.0004","11.653","0.0004","20.2953","0.0006","90","","100.807","0.001","90","","3152.75","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Cl2 N3 Ru -","- C33 H41 Cl2 N3 Ru -","- C132 H164 Cl8 N12 Ru4 -","4","1","","Hejl, Andrew; Day, Michael W.; Grubbs, Robert H.","Latent Olefin Metathesis Catalysts Featuring Chelating Alkylidenes","Organometallics","2006","25","26","6149","","10.1021/om060620u","","","0.71073","MoKα","","0.0974","0.0514","","","0.0848","0.0898","","","","","","1.358","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4074413","14.9244","0.0009","16.4672","0.001","11.2788","0.0007","90","","90","","90","","2771.9","0.3","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C28 H39 Cl2 N3 Ru -","- C28 H39 Cl2 N3 Ru -","- C112 H156 Cl8 N12 Ru4 -","4","0.5","","Hejl, Andrew; Day, Michael W.; Grubbs, Robert H.","Latent Olefin Metathesis Catalysts Featuring Chelating Alkylidenes","Organometallics","2006","25","26","6149","","10.1021/om060620u","","","0.71073","MoKα","","0.1089","0.0575","","","0.0784","0.0843","","","","","","1.576","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074414","11.1365","0.0003","17.4341","0.0004","34.7895","0.0009","90","","93.707","0.001","90","","6740.4","0.3","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C32 H47 Cl2 N3 O0.5 Ru S -","- C31.778 H46.556 Cl2 N3 O0.4445 Ru S -","- C254.224 H372.448 Cl16 N24 O3.556 Ru8 S8 -","8","4","","Hejl, Andrew; Day, Michael W.; Grubbs, Robert H.","Latent Olefin Metathesis Catalysts Featuring Chelating Alkylidenes","Organometallics","2006","25","26","6149","","10.1021/om060620u","","","0.71073","MoKα","","0.09","0.058","","","0.0946","0.1005","","","","","","1.302","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4074415","24.856","0.0005","21.4614","0.0005","8.2591","0.0002","90","","104.156","0.0012","90","","4271.98","0.17","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H20 F6 N8 P Pd -","- C36 H20 F6 N8 P Pd -","- C144 H80 F24 N32 P4 Pd4 -","4","0.5","","Bergman, Sheba D.; Goldberg, Israel; Carfagna, Carla; Mosca, Luca; Kol, Moshe; Milani, Barbara","Palladium Complexes Containing Large Fused Aromatic N−N Ligands as Efficient Catalysts for the CO/Styrene Copolymerization","Organometallics","2006","25","26","6014","","10.1021/om060624z","","","0.71073","MoKα","","0.0603","0.0511","","","0.1378","0.1432","","","","","","1.087","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074416","9.198","0.001","12.979","0.001","18.791","0.001","90","","103.126","0.001","90","","2184.7","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 N P -","- C30 H22 N P -","- C120 H88 N4 P4 -","4","1","","Mora, Guilhem; van Zutphen, Steven; Thoumazet, Claire; Le Goff, Xavier F.; Ricard, Louis; Grutzmacher, Hansjorg; Le Floch, Pascal","A New Bidentate Aminophosphole−Olefin Ligand for the Rhodium-Catalyzed Hydroformylation of Mono- and Disubstituted Olefins","Organometallics","2006","25","23","5528","","10.1021/om060625r","","","0.71069","MoKα","","0.0601","0.0422","","","0.1145","0.1241","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074417","7.822","0.001","27.135","0.001","25.5931","0.001","90","","103.481","0.002","90","","5282.5","0.7","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H46 Cl4 N2 P2 Rh2 -","- C60 H44 Cl2 N2 P2 Rh2 -","- C240 H176 Cl8 N8 P8 Rh8 -","4","1","","Mora, Guilhem; van Zutphen, Steven; Thoumazet, Claire; Le Goff, Xavier F.; Ricard, Louis; Grutzmacher, Hansjorg; Le Floch, Pascal","A New Bidentate Aminophosphole−Olefin Ligand for the Rhodium-Catalyzed Hydroformylation of Mono- and Disubstituted Olefins","Organometallics","2006","25","23","5528","","10.1021/om060625r","","","0.71069","MoKα","","0.0636","0.0413","","","0.115","0.1219","","","","","","1.069","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074418","13.045","0.001","18.666","0.001","15.627","0.001","90","","109.751","0.001","90","","3581.3","0.4","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 B Cl F4 N P Rh -","- C38 H34 B F4 N P Rh -","- C152 H136 B4 F16 N4 P4 Rh4 -","4","1","","Mora, Guilhem; van Zutphen, Steven; Thoumazet, Claire; Le Goff, Xavier F.; Ricard, Louis; Grutzmacher, Hansjorg; Le Floch, Pascal","A New Bidentate Aminophosphole−Olefin Ligand for the Rhodium-Catalyzed Hydroformylation of Mono- and Disubstituted Olefins","Organometallics","2006","25","23","5528","","10.1021/om060625r","","","0.71069","MoKα","","0.0615","0.0463","","","0.1436","0.1503","","","","","","1.054","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074419","10.251","0.002","11.918","0.002","16.501","0.003","90","","117.47","0.03","90","","1788.7","0.7","240","1","240","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","8a","Bis-(N,N-dimethyl-N-trifluoroacetimidato-ammoniomethyl-C-O)dichlorosilicon (IV)","","- C10 H16 Cl2 F6 N4 O2 Si -","- C10 H16 Cl2 F6 N4 O2 Si -","- C40 H64 Cl8 F24 N16 O8 Si4 -","4","1","","Gostevskii, Boris; Zamstein, Noa; Korlyukov, Alexander A.; Baukov, Yuri I.; Botoshansky, Mark; Kaftory, Menahem; Kocher, Nikolaus; Stalke, Dietmar; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 11. Bis-Zwitterionic Penta- and Hexacoordinate Silicon Dichelate Complexes Derived from (ClCH2)2SiCl2through Double Internal Displacement of Chloride1","Organometallics","2006","25","22","5416","","10.1021/om060629w","","","0.71073","MoKα","","0.0743","0.0463","","","0.1093","0.1195","","","","","","1.048","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074420","10.0587","0.0016","10.3751","0.0018","18.348","0.003","90","","101.543","0.005","90","","1876.1","0.5","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","9a","Bis-(N,N-dimethyl-N-trifluoroacetimidato-ammoniomethyl-C-O) chlorosiliconium iodide","","- C10 H16 Cl F6 I N4 O2 Si -","- C10 H16 Cl F6 I N4 O2 Si -","- C40 H64 Cl4 F24 I4 N16 O8 Si4 -","4","0.5","","Gostevskii, Boris; Zamstein, Noa; Korlyukov, Alexander A.; Baukov, Yuri I.; Botoshansky, Mark; Kaftory, Menahem; Kocher, Nikolaus; Stalke, Dietmar; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 11. Bis-Zwitterionic Penta- and Hexacoordinate Silicon Dichelate Complexes Derived from (ClCH2)2SiCl2through Double Internal Displacement of Chloride1","Organometallics","2006","25","22","5416","","10.1021/om060629w","","","0.71073","MoKα","","0.0252","0.0234","","","0.0596","0.0604","","","","","","1.056","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074421","8.994","0.002","21.354","0.004","11.089","0.004","90","","90","","90","","2129.7","1","240","1","240","1","","","","","","","","6","A e a 2","A 2 -2ab","41","9b","Bis-(N,N-dimethyl-N-pivaloimidato-ammoniomethyl-C-O) chlorosiliconium chloride","","- C16 H34 Cl2 N4 O2 Si -","- C16 H34 Cl2 N4 O2 Si -","- C64 H136 Cl8 N16 O8 Si4 -","4","0.5","","Gostevskii, Boris; Zamstein, Noa; Korlyukov, Alexander A.; Baukov, Yuri I.; Botoshansky, Mark; Kaftory, Menahem; Kocher, Nikolaus; Stalke, Dietmar; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 11. Bis-Zwitterionic Penta- and Hexacoordinate Silicon Dichelate Complexes Derived from (ClCH2)2SiCl2through Double Internal Displacement of Chloride1","Organometallics","2006","25","22","5416","","10.1021/om060629w","","","0.71073","MoKα","","0.038","0.0311","","","0.0897","0.0964","","","","","","0.782","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4074422","10.4375","0.0006","18.3791","0.001","20.7842","0.0011","90","","95.229","0.001","90","","3970.5","0.4","100","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","11a","Di(Bis-(N,N-dimethyl-N-trifluoroacetimidato-ammoniomethyl-C-O)disiloxane-dication dichloride","","- C24 H38 Cl2 F12 N10 O5 Si2 -","- C24 H38 Cl2 F12 N10 O5 Si2 -","- C96 H152 Cl8 F48 N40 O20 Si8 -","4","1","","Gostevskii, Boris; Zamstein, Noa; Korlyukov, Alexander A.; Baukov, Yuri I.; Botoshansky, Mark; Kaftory, Menahem; Kocher, Nikolaus; Stalke, Dietmar; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 11. Bis-Zwitterionic Penta- and Hexacoordinate Silicon Dichelate Complexes Derived from (ClCH2)2SiCl2through Double Internal Displacement of Chloride1","Organometallics","2006","25","22","5416","","10.1021/om060629w","","","0.71073","MoKα","","0.0344","0.0317","","","0.0841","0.0861","","","","","","1.056","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4074423","10.729","0.0011","9.608","0.001","11.287","0.0011","90","","92.169","0.002","90","","1162.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","CS592","","","- C26 H29 O3 P -","- C26 H29 O3 P -","- C52 H58 O6 P2 -","2","1","","Scriban, Corina; Glueck, David S.; Zakharov, Lev N.; Kassel, W. Scott; DiPasquale, Antonio G.; Golen, James A.; Rheingold, Arnold L.","P−C and C−C Bond Formation by Michael Addition in Platinum-Catalyzed Hydrophosphination and in the Stoichiometric Reactions of Platinum Phosphido Complexes with Activated Alkenes","Organometallics","2006","25","24","5757","","10.1021/om060631n","","","0.71073","MoKα","","0.0438","0.0414","","","0.1003","0.1019","","","","","","1.045","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4074424","9.7369","0.0014","19.017","0.003","15.778","0.002","90","","91.064","0.003","90","","2921.1","0.7","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H41 P3 Pt -","- C31 H41 P3 Pt -","- C124 H164 P12 Pt4 -","4","2","","Scriban, Corina; Glueck, David S.; Zakharov, Lev N.; Kassel, W. Scott; DiPasquale, Antonio G.; Golen, James A.; Rheingold, Arnold L.","P−C and C−C Bond Formation by Michael Addition in Platinum-Catalyzed Hydrophosphination and in the Stoichiometric Reactions of Platinum Phosphido Complexes with Activated Alkenes","Organometallics","2006","25","24","5757","","10.1021/om060631n","","","0.71073","MoKα","","0.0302","0.0287","","","0.064","0.0646","","","","","","0.961","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074425","17.3082","0.001","10.2818","0.0006","19.0494","0.0011","90","","90","","90","","3390","0.3","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H39 Cl3 O2 P2 Pt -","- C34 H39 Cl3 O2 P2 Pt -","- C136 H156 Cl12 O8 P8 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; Zakharov, Lev N.; Kassel, W. Scott; DiPasquale, Antonio G.; Golen, James A.; Rheingold, Arnold L.","P−C and C−C Bond Formation by Michael Addition in Platinum-Catalyzed Hydrophosphination and in the Stoichiometric Reactions of Platinum Phosphido Complexes with Activated Alkenes","Organometallics","2006","25","24","5757","","10.1021/om060631n","","","0.71073","MoKα","","0.0494","0.0422","","","0.1037","0.1075","","","","","","1.007","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074426","10.278","0.0004","17.6054","0.0007","20","0.0008","90","","99.755","0.001","90","","3566.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 O3 P2 Pt -","- C38 H48 O3 P2 Pt -","- C152 H192 O12 P8 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; Zakharov, Lev N.; Kassel, W. Scott; DiPasquale, Antonio G.; Golen, James A.; Rheingold, Arnold L.","P−C and C−C Bond Formation by Michael Addition in Platinum-Catalyzed Hydrophosphination and in the Stoichiometric Reactions of Platinum Phosphido Complexes with Activated Alkenes","Organometallics","2006","25","24","5757","","10.1021/om060631n","","","0.71073","MoKα","","0.0322","0.0279","","","0.065","0.067","","","","","","1.038","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074427","13.0614","0.0012","16.8404","0.0015","17.8216","0.0016","105.327","0.001","110.081","0.001","91.999","0.001","3516.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83.5 H85 O P5 Pt2 -","- C73 H72 O P5 Pt2 -","- C146 H144 O2 P10 Pt4 -","2","1","","Scriban, Corina; Glueck, David S.; Zakharov, Lev N.; Kassel, W. Scott; DiPasquale, Antonio G.; Golen, James A.; Rheingold, Arnold L.","P−C and C−C Bond Formation by Michael Addition in Platinum-Catalyzed Hydrophosphination and in the Stoichiometric Reactions of Platinum Phosphido Complexes with Activated Alkenes","Organometallics","2006","25","24","5757","","10.1021/om060631n","","","0.71073","MoKα","","0.0474","0.0387","","","0.1057","0.1104","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074428","6.0478","0.0003","17.7771","0.0008","15.6673","0.0007","90","","92.531","0.002","90","","1682.78","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Cl N4 P Pd -","- C15 H24 Cl N4 P Pd -","- C60 H96 Cl4 N16 P4 Pd4 -","4","1","","Ruiz, José; Cutillas, Natalia; López, Francisco; López, Gregorio; Bautista, Delia","A Copper- and Amine-Free Sonogashira Reaction of Aryl Halides Catalyzed by 1,3,5-Triaza-7-phosphaadamantane Palladium Systems","Organometallics","2006","25","24","5768","","10.1021/om060636k","","","0.71073","MoKα","","0.0187","0.0181","","","0.0461","0.0465","","","","","","1.074","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074429","6.5664","0.0007","18.2658","0.0019","18.5978","0.0019","90.35","0.012","96.867","0.012","92.036","0.012","2213.1","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18.38 H20.75 Cl0.75 Fe I N3 O -","- C18.375 H20.75 Cl0.75 Fe I N3 O -","- C73.5 H83 Cl3 Fe4 I4 N12 O4 -","4","2","","Mercs, Laszlo; Labat, Gaël; Neels, Antonia; Ehlers, Andreas; Albrecht, Martin","Piano-Stool Iron(II) Complexes as Probes for the Bonding ofN-Heterocyclic Carbenes: Indications for π-Acceptor Ability","Organometallics","2006","25","23","5648","","10.1021/om060637c","","","0.71073","MoKα","","0.1131","0.0572","","","0.146","0.1638","","","","","","0.84","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074430","10.7751","0.0009","23.908","0.003","13.0755","0.0011","90","","93.87","0.006","90","","3360.7","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Cl3 Fe I N4 O -","- C32 H34 Cl3 Fe I N4 O -","- C128 H136 Cl12 Fe4 I4 N16 O4 -","4","1","","Mercs, Laszlo; Labat, Gaël; Neels, Antonia; Ehlers, Andreas; Albrecht, Martin","Piano-Stool Iron(II) Complexes as Probes for the Bonding ofN-Heterocyclic Carbenes: Indications for π-Acceptor Ability","Organometallics","2006","25","23","5648","","10.1021/om060637c","","","0.71073","MoKα","","0.0858","0.0498","","","0.1087","0.1203","","","","","","0.907","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074431","14.607","0.003","17.019","0.005","13.356","0.003","90","","90","","90","","3320.3","1.4","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H16 Fe I N3 O -","- C16 H16 Fe I N3 O -","- C128 H128 Fe8 I8 N24 O8 -","8","2","","Mercs, Laszlo; Labat, Gaël; Neels, Antonia; Ehlers, Andreas; Albrecht, Martin","Piano-Stool Iron(II) Complexes as Probes for the Bonding ofN-Heterocyclic Carbenes: Indications for π-Acceptor Ability","Organometallics","2006","25","23","5648","","10.1021/om060637c","","","0.71073","MoKα","","0.0633","0.0455","","","0.1026","0.1073","","","","","","0.927","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074432","9.0722","0.0011","10.1558","0.0011","10.2117","0.001","89.614","0.013","79.026","0.013","76.716","0.013","898.27","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H21 B F4 Fe N2 O2 -","- C16 H21 B F4 Fe N2 O2 -","- C32 H42 B2 F8 Fe2 N4 O4 -","2","1","","Mercs, Laszlo; Labat, Gaël; Neels, Antonia; Ehlers, Andreas; Albrecht, Martin","Piano-Stool Iron(II) Complexes as Probes for the Bonding ofN-Heterocyclic Carbenes: Indications for π-Acceptor Ability","Organometallics","2006","25","23","5648","","10.1021/om060637c","","","0.71073","MoKα","","0.0691","0.0372","","","0.0791","0.088","","","","","","0.86","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074433","7.3425","0.0012","12.434","0.003","13.988","0.002","67.109","0.016","81.442","0.013","72.819","0.015","1123.2","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Fe I N3 O -","- C24 H24 Fe I N3 O -","- C48 H48 Fe2 I2 N6 O2 -","2","1","","Mercs, Laszlo; Labat, Gaël; Neels, Antonia; Ehlers, Andreas; Albrecht, Martin","Piano-Stool Iron(II) Complexes as Probes for the Bonding ofN-Heterocyclic Carbenes: Indications for π-Acceptor Ability","Organometallics","2006","25","23","5648","","10.1021/om060637c","","","0.71073","MoKα","","0.044","0.0308","","","0.0652","0.069","","","","","","1.028","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074434","10.127","0.0001","15.715","0.0003","15.576","0.0004","90","","98.769","0.001","90","","2449.88","0.08","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 F3 Mo N4 O8 P2 S -","- C14 H23 F3 Mo N4 O8 P2 S -","- C56 H92 F12 Mo4 N16 O32 P8 S4 -","4","1","","Nakazawa, Hiroshi; Miyoshi, Yasutaka; Katayama, Takafumi; Mizuta, Tsutomu; Miyoshi, Katsuhiko; Tsuchida, Noriko; Ono, Ayako; Takano, Keiko","Syntheses, Structures, and DFT Calculations of Phosphenium Phosphite Complexes of Molybdenum: Preference of Nonbridging Form to Bridging Form of a Donor Group","Organometallics","2006","25","25","5913","","10.1021/om060639x","","","0.71069","MoKα","","0.0347","0.0337","","","0.0877","0.0885","","","","","","1.058","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074435","16.703","0.003","17.963","0.003","9.744","0.002","90","","98.694","0.016","90","","2890","0.9","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Mo N6 O6 P3 -","- C18 H39 Mo N6 O6 P3 -","- C72 H156 Mo4 N24 O24 P12 -","4","1","","Nakazawa, Hiroshi; Miyoshi, Yasutaka; Katayama, Takafumi; Mizuta, Tsutomu; Miyoshi, Katsuhiko; Tsuchida, Noriko; Ono, Ayako; Takano, Keiko","Syntheses, Structures, and DFT Calculations of Phosphenium Phosphite Complexes of Molybdenum: Preference of Nonbridging Form to Bridging Form of a Donor Group","Organometallics","2006","25","25","5913","","10.1021/om060639x","","","0.71069","MoKα","","0.041","0.0293","","","0.0717","0.0746","","","","","","1.025","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074436","8.807","0.0001","21.75","0.0003","17.96","0.0003","90","","99.619","0.001","90","","3391.91","0.08","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H43 F3 Mo N6 O8 P3 S -","- C21 H43 F3 Mo N6 O8 P3 S -","- C84 H172 F12 Mo4 N24 O32 P12 S4 -","4","1","","Nakazawa, Hiroshi; Miyoshi, Yasutaka; Katayama, Takafumi; Mizuta, Tsutomu; Miyoshi, Katsuhiko; Tsuchida, Noriko; Ono, Ayako; Takano, Keiko","Syntheses, Structures, and DFT Calculations of Phosphenium Phosphite Complexes of Molybdenum: Preference of Nonbridging Form to Bridging Form of a Donor Group","Organometallics","2006","25","25","5913","","10.1021/om060639x","","","0.71069","MoKα","","0.065","0.0584","","","0.1721","0.179","","","","","","1.003","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074437","8.503","0.0002","8.575","0.0002","14.584","0.0003","100.182","0.001","93.405","0.001","110.024","0.002","975.05","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H28 Mo N4 O2 P2 -","- C15 H28 Mo N4 O2 P2 -","- C30 H56 Mo2 N8 O4 P4 -","2","1","","Nakazawa, Hiroshi; Miyoshi, Yasutaka; Katayama, Takafumi; Mizuta, Tsutomu; Miyoshi, Katsuhiko; Tsuchida, Noriko; Ono, Ayako; Takano, Keiko","Syntheses, Structures, and DFT Calculations of Phosphenium Phosphite Complexes of Molybdenum: Preference of Nonbridging Form to Bridging Form of a Donor Group","Organometallics","2006","25","25","5913","","10.1021/om060639x","","","0.71069","MoKα","","0.0225","0.0224","","","0.0612","0.0613","","","","","","1.046","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074438","17.5655","0.0006","15.4579","0.0005","8.8755","0.0002","90","","90","","90","","2409.93","0.13","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H33 I2 N U -","- C22 H33 I2 N U -","- C88 H132 I8 N4 U4 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.048","0.0472","","","0.1229","0.1233","","","","","","1.308","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074439","17.0969","0.0006","12.9933","0.0009","15.0916","0.0007","90","","90","","90","","3352.5","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H47 I2 N U -","- C32 H47 I2 N U -","- C128 H188 I8 N4 U4 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.0516","0.0482","","","0.1279","0.1299","","","","","","1.089","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074440","17.8654","0.0008","10.5923","0.0005","15.9315","0.0004","90","","104.406","0.003","90","","2920","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 F6 N O6 S2 U -","- C24 H33 F6 N O6 S2 U -","- C96 H132 F24 N4 O24 S8 U4 -","4","1","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.0376","0.0258","","","0.0582","0.0625","","","","","","1.001","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074441","16.0984","0.001","11.2243","0.0007","21.151","0.0009","90","","105.096","0.004","90","","3690","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 I2 N6 U -","- C32 H48 I2 N6 U -","- C128 H192 I8 N24 U4 -","4","1","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.0223","0.0187","","","0.0446","0.0455","","","","","","1.039","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074442","22.8466","0.001","20.4868","0.0009","9.2103","0.0003","90","","90","","90","","4310.9","0.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H48 F6 N6 O6 S2 U -","- C34 H48 F6 N6 O6 S2 U -","- C136 H192 F24 N24 O24 S8 U4 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.0608","0.055","","","0.1371","0.1393","","","","","","1.181","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074443","29.475","0.003","9.9062","0.0007","30.888","0.004","90","","90","","90","","9018.8","1.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H108 F18 Na2 O24 S6 U2 -","- C70 H108 F18 Na2 O24 S6 U2 -","- C280 H432 F72 Na8 O96 S24 U8 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.1423","0.0601","","","0.1063","0.1228","","","","","","0.979","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074444","12.9263","0.0007","14.6453","0.0008","13.9515","0.0005","90","","90","","90","","2641.2","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 I N2 U -","- C24 H36 I N2 U -","- C96 H144 I4 N8 U4 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.0545","0.0367","","","0.1024","0.1164","","","","","","0.973","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074445","8.6221","0.0017","10.595","0.002","10.614","0.002","108.88","0.03","111.74","0.03","92.98","0.03","835.7","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","[Cp'2Al-mu-Cl]2","","","- C36 H52 Al2 Cl2 -","- C36 H52 Al2 Cl2 -","- C36 H52 Al2 Cl2 -","1","0.5","","Lee, Suh-Jane; Shapiro, Pamela J.; Twamley, Brendan","Synthesis and Characterization of [(C5Me4H)2Al]+, an Initiator for the Polymerization of Isobutene. X-ray Crystal Structures of [(C5Me4H)2Al(μ-Cl)]2and [(C5Me4H)2Al][B(C6F5)4]","Organometallics","2006","25","23","5582","","10.1021/om0606439","","","0.71073","MoKα","","0.0514","0.0385","","","0.0995","0.1076","","","","","","1.054","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074446","22.644","0.005","23.988","0.005","17.049","0.003","90","","107.02","0.03","90","","8855","3","84","2","84","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cp'2Al][BCF] + bromobenzene","","","- C48 H31 Al B Br F20 -","- C48 H31 Al B Br F20 -","- C384 H248 Al8 B8 Br8 F160 -","8","1","","Lee, Suh-Jane; Shapiro, Pamela J.; Twamley, Brendan","Synthesis and Characterization of [(C5Me4H)2Al]+, an Initiator for the Polymerization of Isobutene. X-ray Crystal Structures of [(C5Me4H)2Al(μ-Cl)]2and [(C5Me4H)2Al][B(C6F5)4]","Organometallics","2006","25","23","5582","","10.1021/om0606439","","","0.71073","MoKα","","0.1386","0.0687","","","0.1454","0.1774","","","","","","1.018","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074447","11.2586","0.0008","15.0054","0.001","21.336","0.002","81.162","0.001","77.028","0.001","88.442","0.001","3470.7","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H37 B N6 O3 Os P2 Sn -","- C30 H37 B N6 O3 Os P2 Sn -","- C120 H148 B4 N24 O12 Os4 P8 Sn4 -","4","2","","Albertin, Gabriele; Antoniutti, Stefano; Bacchi, Alessia; Bortoluzzi, Marco; Pelizzi, Giancarlo; Zanardo, Gianluigi","Tin Trihydride as a Ligand in Osmium Complexes","Organometallics","2006","25","18","4235","","10.1021/om0606441","","","0.71073","MoKα","","0.0622","0.0377","","","0.092","0.104","","","","","","0.986","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074448","18.0221","0.0005","10.6425","0.0002","17.2769","0.0004","90","","107.205","0.001","90","","3165.43","0.13","100","","100","","","","","","","","pentane","5","P 1 21/c 1","-P 2ybc","14","","(acetylacetonato)-(N-2,4-bis(2,6-isopropylphenylimino)- pentan-3-yl)palladium(ii)","","- C34 H48 N2 O2 Pd -","- C34 H47.262 N2 O2 Pd -","- C136 H189.048 N8 O8 Pd4 -","4","1","","Tian, Xin; Goddard, Richard; Pörschke, Klaus-Richard","(β-Diketiminato)palladium Complexes","Organometallics","2006","25","25","5854","","10.1021/om0606486","","","0.71073","MoKα","","0.0649","0.0394","","","0.0799","0.088","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074449","8.1121","0.0002","9.6711","0.0003","16.6998","0.0004","78.659","0.001","82.887","0.001","65.204","0.001","1164.88","0.05","100","","100","","","","","","","","pentane at -40 degrees","4","P -1","-P 1","2","","bis[2-(isopropylamino)-4-(isopropylimino)-pent-2-ene-N,N'] palladium(ii)","","- C22 H42 N4 Pd -","- C22 H42 N4 Pd -","- C44 H84 N8 Pd2 -","2","1","","Tian, Xin; Goddard, Richard; Pörschke, Klaus-Richard","(β-Diketiminato)palladium Complexes","Organometallics","2006","25","25","5854","","10.1021/om0606486","","","0.71073","MoKα","","0.03","0.0285","","","0.0759","0.0769","","","","","","1.115","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074450","35.0185","0.0005","10.6251","0.0001","20.5768","0.0003","90","","121.351","0.001","90","","6538.29","0.16","100","","100","","","","","","","","pentane","5","C 1 2/c 1","-C 2yc","15","","(2-(2,6-di-isopropylphenylimino)-4- (2,6-di-isopropylphenylimino)pent-2-ene-N,N')-acetylacetonate- palladium(ii)","","- C34 H48 N2 O2 Pd -","- C34 H48 N2 O2 Pd -","- C272 H384 N16 O16 Pd8 -","8","1","","Tian, Xin; Goddard, Richard; Pörschke, Klaus-Richard","(β-Diketiminato)palladium Complexes","Organometallics","2006","25","25","5854","","10.1021/om0606486","","","0.71073","MoKα","","0.0379","0.0302","","","0.0714","0.0748","","","","","","1.08","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074451","9.0662","0.0003","17.4148","0.0007","9.6064","0.0004","90","","101.143","0.002","90","","1488.12","0.1","100","","100","","","","","","","","diethylether","4","P 1 21/n 1","-P 2yn","14","","[2-(isopropylamino)-4-(isopropylimino)-pent-2-ene-N,N']-η^3^-allyl- palladium(ii)","","- C14 H26 N2 Pd -","- C14 H26 N2 Pd -","- C56 H104 N8 Pd4 -","4","1","","Tian, Xin; Goddard, Richard; Pörschke, Klaus-Richard","(β-Diketiminato)palladium Complexes","Organometallics","2006","25","25","5854","","10.1021/om0606486","","","0.71073","MoKα","","0.0876","0.0691","","","0.2031","0.2454","","","","","","1.067","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074452","9.8459","0.0003","18.3293","0.0006","11.4953","0.0003","90","","90.785","0.002","90","","2074.34","0.11","173.2","","173.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H45 F6 N3 Rh Sb -","- C46 H45 F6 N3 Rh Sb -","- C92 H90 F12 N6 Rh2 Sb2 -","2","1","","Faller, J. W.; Fontaine, Philip P.","Stereodynamics and Asymmetric Hydrosilylation with Chiral Rhodium Complexes Containing a Monodentate N-Heterocyclic Carbene","Organometallics","2006","25","25","5887","","10.1021/om060650x","","","0.7107","MoKα","","0.0467","0.037","","0.039","","0.038","","","1.835","","","1.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074453","14.2381","0.0005","22.7148","0.0007","14.3902","0.0004","90","","114.763","0.002","90","","4226.1","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N8 O12 Pd2 S2 -","- C36 H44 N8 O12 Pd2 S2 -","- C144 H176 N32 O48 Pd8 S8 -","4","1","","Slootweg, J. Chris; Chen, Peter","Cationic Palladium Bis-carbene Carboxylate Complexes","Organometallics","2006","25","25","5863","","10.1021/om0606542","","","0.7107","MoKα","","0.0799","0.0486","","","0.111","0.1358","","","","","","1.049","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074454","21.062","0.0004","21.4351","0.0006","21.2069","0.0006","90","","110.104","0.001","90","","8990.8","0.4","173","2","173","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C60 H40 B Cl4 F36 N8 Na O11 Pd2 -","- C60 H40 B Cl4 F36 N8 Na O11 Pd2 -","- C240 H160 B4 Cl16 F144 N32 Na4 O44 Pd8 -","4","0.5","","Slootweg, J. Chris; Chen, Peter","Cationic Palladium Bis-carbene Carboxylate Complexes","Organometallics","2006","25","25","5863","","10.1021/om0606542","","","0.7107","MoKα","","0.0876","0.0637","","","0.1652","0.1868","","","","","","0.965","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074455","7.7108","0.0005","18.4718","0.0012","14.8523","0.001","90","","93.343","0.001","90","","2111.8","0.2","128","2","128","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Cl3 Ir N O5 -","- C16 H21 Cl3 Ir N O5 -","- C64 H84 Cl12 Ir4 N4 O20 -","4","1","","Tenn, William J.; Young, Kenneth J. H.; Oxgaard, Jonas; Nielsen, Robert J.; Goddard, William A.; Periana, Roy A.","Heterolytic CH Activation and Catalysis by an O-Donor Iridium−Hydroxo Complex","Organometallics","2006","25","21","5173","","10.1021/om060657e","","","0.71073","MoKα","","0.0242","0.0207","","","0.0502","0.0512","","","","","","1.035","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074456","12.6692","0.0002","19.5522","0.0003","20.8522","0.0005","90","","103.511","0.001","90","","5022.36","0.16","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H75 O11.5 Si6 -","- C38 H75 O11.5 Si6 -","- C152 H300 O46 Si24 -","4","1","","Lorenz, Volker; Blaurock, Steffen; Görls, Helmar; Edelmann, Frank T.","The First Niobasilsesquioxanes§","Organometallics","2006","25","25","5922","","10.1021/om0606587","","","0.71073","MoKα","","0.114","0.0797","","","0.2141","0.2388","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074457","14.677","0.003","14.949","0.003","17.199","0.003","104.56","0.03","96.05","0.03","108.18","0.03","3400","1.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H100 Nb2 O18 Si6 -","- C52 H100 Nb2 O18 Si6 -","- C104 H200 Nb4 O36 Si12 -","2","1","","Lorenz, Volker; Blaurock, Steffen; Görls, Helmar; Edelmann, Frank T.","The First Niobasilsesquioxanes§","Organometallics","2006","25","25","5922","","10.1021/om0606587","","","0.71073","MoKα","","0.0855","0.0568","","","0.1598","0.1752","","","","","","0.983","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074458","11.3809","0.0002","12.0411","0.0003","19.0624","0.0004","79.943","0.0012","73.714","0.001","72.302","0.0012","2377.35","0.09","150","1","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H58 N2 O2 P2 Ru -","- C54 H58 N2 O2 P2 Ru -","- C108 H116 N4 O4 P4 Ru2 -","2","1","","Clapham, Sean E.; Guo, Rongwei; Zimmer-De Iuliis, Marco; Rasool, Nailyn; Lough, Alan; Morris, Robert H.","Probing the Effect of the Ligand X on the Properties and Catalytic Activity of the Complexes RuHX(diamine)(PPh3)2(X = OPh, 4-SC6H4OCH3, OPPh2, OP(OEt)2, CCPh, NCCHCN, CH(COOMe)2; diamine = 2,3-Diamino-2,3-dimethylbutane, (R,R)-1,2-Diaminocyclohexane)","Organometallics","2006","25","22","5477","","10.1021/om060661q","","","0.71073","MoKα","","0.0763","0.0491","","","0.1146","0.1299","","","","","","1.027","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074459","17.994","0.004","19.861","0.004","12.143","0.002","90","","91.47","0.03","90","","4338.2","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H54 N2 O P2 Ru S -","- C49 H54 N2 O P2 Ru S -","- C196 H216 N8 O4 P8 Ru4 S4 -","4","1","","Clapham, Sean E.; Guo, Rongwei; Zimmer-De Iuliis, Marco; Rasool, Nailyn; Lough, Alan; Morris, Robert H.","Probing the Effect of the Ligand X on the Properties and Catalytic Activity of the Complexes RuHX(diamine)(PPh3)2(X = OPh, 4-SC6H4OCH3, OPPh2, OP(OEt)2, CCPh, NCCHCN, CH(COOMe)2; diamine = 2,3-Diamino-2,3-dimethylbutane, (R,R)-1,2-Diaminocyclohexane)","Organometallics","2006","25","22","5477","","10.1021/om060661q","","","0.71073","MoKα","","0.0702","0.0422","","","0.0946","0.1072","","","","","","1.044","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074460","12.747","0.0001","16.713","0.0002","21.85","0.0003","90","","93.073","0.0004","90","","4648.24","0.09","150","1","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49.5 H61 N2 O3 P3 Ru -","- C49.5 H61 N2 O3 P3 Ru -","- C198 H244 N8 O12 P12 Ru4 -","4","1","","Clapham, Sean E.; Guo, Rongwei; Zimmer-De Iuliis, Marco; Rasool, Nailyn; Lough, Alan; Morris, Robert H.","Probing the Effect of the Ligand X on the Properties and Catalytic Activity of the Complexes RuHX(diamine)(PPh3)2(X = OPh, 4-SC6H4OCH3, OPPh2, OP(OEt)2, CCPh, NCCHCN, CH(COOMe)2; diamine = 2,3-Diamino-2,3-dimethylbutane, (R,R)-1,2-Diaminocyclohexane)","Organometallics","2006","25","22","5477","","10.1021/om060661q","","","0.71073","MoKα","","0.0498","0.0344","","","0.0797","0.0865","","","","","","1.039","","","","has coordinates,has disorder","209531","2020-10-21","18:00:00",""
"4074461","10.6504","0.0002","14.0567","0.0002","28.1451","0.0007","90","","90","","90","","4213.59","0.14","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H52 N2 P2 Ru -","- C50 H52 N2 P2 Ru -","- C200 H208 N8 P8 Ru4 -","4","1","","Clapham, Sean E.; Guo, Rongwei; Zimmer-De Iuliis, Marco; Rasool, Nailyn; Lough, Alan; Morris, Robert H.","Probing the Effect of the Ligand X on the Properties and Catalytic Activity of the Complexes RuHX(diamine)(PPh3)2(X = OPh, 4-SC6H4OCH3, OPPh2, OP(OEt)2, CCPh, NCCHCN, CH(COOMe)2; diamine = 2,3-Diamino-2,3-dimethylbutane, (R,R)-1,2-Diaminocyclohexane)","Organometallics","2006","25","22","5477","","10.1021/om060661q","","","0.71073","MoKα","","0.0654","0.0416","","","0.0832","0.0937","","","","","","1.023","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074462","12.6737","0.0006","19.6755","0.0009","17.1281","0.0006","90","","95.344","0.003","90","","4252.5","0.3","150","1","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H54 N2 O4 P2 Ru -","- C47 H54 N2 O4 P2 Ru -","- C188 H216 N8 O16 P8 Ru4 -","4","1","","Clapham, Sean E.; Guo, Rongwei; Zimmer-De Iuliis, Marco; Rasool, Nailyn; Lough, Alan; Morris, Robert H.","Probing the Effect of the Ligand X on the Properties and Catalytic Activity of the Complexes RuHX(diamine)(PPh3)2(X = OPh, 4-SC6H4OCH3, OPPh2, OP(OEt)2, CCPh, NCCHCN, CH(COOMe)2; diamine = 2,3-Diamino-2,3-dimethylbutane, (R,R)-1,2-Diaminocyclohexane)","Organometallics","2006","25","22","5477","","10.1021/om060661q","","","0.71073","MoKα","","0.0833","0.0485","","","0.1107","0.1307","","","","","","1.028","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074463","12.639","0.0008","13.345","0.0011","16.944","0.0013","105.266","0.003","109.11","0.004","102.558","0.004","2456.4","0.3","100","1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H63 N4 O P2 Ru -","- C57 H63 N4 O P2 Ru -","- C114 H126 N8 O2 P4 Ru2 -","2","1","","Clapham, Sean E.; Guo, Rongwei; Zimmer-De Iuliis, Marco; Rasool, Nailyn; Lough, Alan; Morris, Robert H.","Probing the Effect of the Ligand X on the Properties and Catalytic Activity of the Complexes RuHX(diamine)(PPh3)2(X = OPh, 4-SC6H4OCH3, OPPh2, OP(OEt)2, CCPh, NCCHCN, CH(COOMe)2; diamine = 2,3-Diamino-2,3-dimethylbutane, (R,R)-1,2-Diaminocyclohexane)","Organometallics","2006","25","22","5477","","10.1021/om060661q","","","0.71073","MoKα","","0.1422","0.072","","","0.1685","0.2063","","","","","","1.025","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074464","9.9177","0.0003","12.0637","0.0004","19.3038","0.0007","90","","101.295","0.002","90","","2264.85","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 I N2 Pd -","- C24 H29 I N2 Pd -","- C96 H116 I4 N8 Pd4 -","4","1","","Kohler, Mark C.; Stockland, Jr., Robert A.; Rath, Nigam P.","Steric and Electronic Effects on Arylphosphonate Elimination from Organopalladium Complexes","Organometallics","2006","25","24","5746","5756","10.1021/om060662i","","","0.71073","MoKα","","0.0332","0.0247","","","0.0534","0.0563","","","","","","1.012","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074465","13.4268","0.0004","11.1315","0.0003","19.8695","0.0006","90","","105.323","0.002","90","","2864.14","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cl N2 O3 P Pd -","- C28 H38 Cl N2 O3 P Pd -","- C112 H152 Cl4 N8 O12 P4 Pd4 -","4","1","","Kohler, Mark C.; Stockland, Jr., Robert A.; Rath, Nigam P.","Steric and Electronic Effects on Arylphosphonate Elimination from Organopalladium Complexes","Organometallics","2006","25","24","5746","5756","10.1021/om060662i","","","0.71073","MoKα","","0.0445","0.034","","","0.0801","0.0856","","","","","","1.035","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074466","10.487","0.0007","17.028","0.0012","19.06","0.0016","90","","105.853","0.008","90","","3274.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 B Cl2 F4 Mo2 S3 -","- C29 H31 B Cl2 F4 Mo2 S3 -","- C116 H124 B4 Cl8 F16 Mo8 S12 -","4","1","","Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","A Bridging Side-on Allenylidene Dimolybdenum Complex without Carbonyl Stabilization","Organometallics","2006","25","22","5503","","10.1021/om060663a","","","0.71069","MoKα","","0.1318","0.0786","","","0.1795","0.2008","","","","","","1.113","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074467","18.033","0.001","15.609","0.001","38.393","0.002","90","","102.405","0.001","90","","10554.5","1.1","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.67 H35.33 P2 S2 Zr -","- C39.6667 H35.3333 P2 S2 Zr -","- C476 H424 P24 S24 Zr12 -","12","1.5","","Cantat, Thibault; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis, Reactivity, and DFT Studies of S−C−S Zirconium(IV) Complexes","Organometallics","2006","25","26","6030","","10.1021/om060665v","","","0.71069","MoKα","","0.0543","0.0378","","","0.0954","0.1015","","","","","","1.061","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074468","19.651","0.001","13.107","0.001","17.849","0.001","90","","104.408","0.001","90","","4452.7","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H96 Cl4 O2 P4 S4 Zr2 -","- C93 H96 Cl4 O2 P4 S4 Zr2 -","- C186 H192 Cl8 O4 P8 S8 Zr4 -","2","0.5","","Cantat, Thibault; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis, Reactivity, and DFT Studies of S−C−S Zirconium(IV) Complexes","Organometallics","2006","25","26","6030","","10.1021/om060665v","","","0.71069","MoKα","","0.0632","0.0483","","","0.1299","0.1414","","","","","","1.033","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074469","14.29","0.001","13.699","0.001","17.819","0.001","90","","94.419","0.001","90","","3477.9","0.4","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Cl2 N2 P2 S2 Zr -","- C35 H30 Cl2 N2 P2 S2 Zr -","- C140 H120 Cl8 N8 P8 S8 Zr4 -","4","1","","Cantat, Thibault; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis, Reactivity, and DFT Studies of S−C−S Zirconium(IV) Complexes","Organometallics","2006","25","26","6030","","10.1021/om060665v","","","0.71069","MoKα","","0.0548","0.0398","","","0.1062","0.1151","","","","","","1.053","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074470","10.9913","0.0006","11.6576","0.0006","12.2813","0.0007","110.421","0.001","94.994","0.001","113.826","0.001","1300.47","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H36 Cl2 N2 O Pt Si2 -","- C19 H36 Cl2 N2 O Pt Si2 -","- C38 H72 Cl4 N4 O2 Pt2 Si4 -","2","1","","Lillo, Vanesa; Mata, Jose; Ramírez, Jesús; Peris, Eduardo; Fernandez, Elena","Catalytic Diboration of Unsaturated Molecules with Platinum(0)−NHC: Selective Synthesis of 1,2-Dihydroxysulfones","Organometallics","2006","25","24","5829","","10.1021/om060666n","","x-ray","0.71073","MoKα","","0.0712","0.0428","","","0.0959","0.1074","","","","","","1.029","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074471","13.4499","0.0007","15.1587","0.0008","15.6612","0.0008","75.941","0.001","74.791","0.001","74.997","0.001","2923.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H55 Cl9 N4 O8 Pd S4 -","- C47 H55 Cl9 N4 O8 Pd S4 -","- C94 H110 Cl18 N8 O16 Pd2 S8 -","2","1","","Pla-Quintana, Anna; Torrent, Anna; Dachs, Anna; Roglans, Anna; Pleixats, Roser; Moreno-Mañas, Marcial; Parella, Teodor; Benet-Buchholz, Jordi","Chiral and Stable Palladium(0) Complexes of Polyunsaturated Aza-macrocyclic Ligands: Synthesis and Structural Analysis","Organometallics","2006","25","23","5612","","10.1021/om060667f","","","0.71073","MoKα","","0.0964","0.0648","","","0.18","0.2066","","","","","","1.043","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074472","16.677","0.003","29.57","0.005","13.074","0.002","90","","101.293","0.005","90","","6322.5","1.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55.25 H65.5 Cl0.5 N5 O10 Pd S5 -","- C55.26 H65.52 Cl0.52 N5 O10 Pd S5 -","- C221.04 H262.08 Cl2.08 N20 O40 Pd4 S20 -","4","1","","Pla-Quintana, Anna; Torrent, Anna; Dachs, Anna; Roglans, Anna; Pleixats, Roser; Moreno-Mañas, Marcial; Parella, Teodor; Benet-Buchholz, Jordi","Chiral and Stable Palladium(0) Complexes of Polyunsaturated Aza-macrocyclic Ligands: Synthesis and Structural Analysis","Organometallics","2006","25","23","5612","","10.1021/om060667f","","","0.71073","MoKα","","0.2033","0.0874","","","0.2132","0.2766","","","","","","0.99","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074473","11.2912","0.0008","11.7993","0.0009","14.9326","0.0011","112.667","0.002","91.155","0.002","101.052","0.002","1792","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H39 Cl2 N3 O6 Pd S3 -","- C34 H39 Cl2 N3 O6 Pd S3 -","- C68 H78 Cl4 N6 O12 Pd2 S6 -","2","1","","Pla-Quintana, Anna; Torrent, Anna; Dachs, Anna; Roglans, Anna; Pleixats, Roser; Moreno-Mañas, Marcial; Parella, Teodor; Benet-Buchholz, Jordi","Chiral and Stable Palladium(0) Complexes of Polyunsaturated Aza-macrocyclic Ligands: Synthesis and Structural Analysis","Organometallics","2006","25","23","5612","","10.1021/om060667f","","","0.71073","MoKα","","0.0716","0.0651","","","0.1706","0.1742","","","","","","1.13","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074474","16.4323","0.001","11.1747","0.0006","19.1546","0.001","90","","113.293","0.001","90","","3230.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 N3 O6 Pd S3 -","- C33 H35 N3 O6 Pd S3 -","- C132 H140 N12 O24 Pd4 S12 -","4","1","","Pla-Quintana, Anna; Torrent, Anna; Dachs, Anna; Roglans, Anna; Pleixats, Roser; Moreno-Mañas, Marcial; Parella, Teodor; Benet-Buchholz, Jordi","Chiral and Stable Palladium(0) Complexes of Polyunsaturated Aza-macrocyclic Ligands: Synthesis and Structural Analysis","Organometallics","2006","25","23","5612","","10.1021/om060667f","","","0.71073","MoKα","","0.073","0.0394","","","0.089","0.1025","","","","","","1.016","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074475","15.139","0.004","16.748","0.004","20.323","0.005","80.194","0.011","69.414","0.01","78.327","0.011","4696","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","cis-PtMe2(psit)2","cis-dimethybis(10-(4'-dimethylaminophenyl)-9-phsopha- 10-silatriptycene-kP)platinum","","- C94 H130 N2 O14 P2 Pt Si2 -","- C94 H130 N2 O14 P2 Pt Si2 -","- C188 H260 N4 O28 P4 Pt2 Si4 -","2","1","","Tsuji, Hayato; Inoue, Tomoyuki; Kaneta, Yasuhiro; Sase, Shohei; Kawachi, Atsushi; Tamao, Kohei","Synthesis, Structure, and Properties of 9-Phospha-10-silatriptycenes and their Derivatives","Organometallics","2006","25","26","6142","","10.1021/om060681s","","","0.7107","MoKα","","0.0673","0.0516","","","0.1079","0.1161","","","","","","1.064","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074476","15.18","0.005","15.044","0.008","17.907","0.006","90","","94.82","0.03","90","","4075","3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 F6 P Ru3 -","- C35 H53 F6 P Ru3 -","- C140 H212 F24 P4 Ru12 -","4","1","","Takao, Toshiro; Inagaki, Akiko; Imamura, Tsubomi; Suzuki, Hiroharu","Oxidation-Induced Rearrangement from anido- to acloso-Ruthenacyclopentadiene","Organometallics","2006","25","23","5511","","10.1021/om060682k","","","0.71069","MoKα","","0.0847","0.0516","","","0.1493","0.1722","","","","","","1.064","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074477","10.5992","0.0015","11.5384","0.0017","12.7577","0.0019","64.097","0.003","82.87","0.003","82.57","0.003","1387.7","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H45 N O2 Zr -","- C29 H45 N O2 Zr -","- C58 H90 N2 O4 Zr2 -","2","1","","Coles, Stuart R.; Clarkson, Guy J.; Gott, Andrew L.; Munslow, Ian J.; Spitzmesser, Stefan K.; Scott, Peter","Half-Sandwich Group 4 Salicyloxazoline Catalysts","Organometallics","2006","25","26","6019","","10.1021/om060687h","","","0.71073","MoKα","","0.0694","0.0431","","","0.0766","0.0834","","","","","","0.962","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074478","9.8486","0.0003","13.7408","0.0004","22.8455","0.0006","90","","98.459","0.001","90","","3058","0.15","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H41.5 Cl2 N O2.25 Zr -","- C28 H39 Cl2 N O2.25 Zr -","- C112 H156 Cl8 N4 O9 Zr4 -","4","1","","Coles, Stuart R.; Clarkson, Guy J.; Gott, Andrew L.; Munslow, Ian J.; Spitzmesser, Stefan K.; Scott, Peter","Half-Sandwich Group 4 Salicyloxazoline Catalysts","Organometallics","2006","25","26","6019","","10.1021/om060687h","","","0.71073","MoKα","","0.1158","0.0523","","","0.1084","0.1238","","","","","","0.899","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074479","9.4657","0.0006","16.7741","0.001","9.6448","0.0006","90","","102.54","0.001","90","","1494.86","0.16","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H43 Cl2 N O2 Zr -","- C29 H43 Cl2 N O2 Zr -","- C58 H86 Cl4 N2 O4 Zr2 -","2","1","","Coles, Stuart R.; Clarkson, Guy J.; Gott, Andrew L.; Munslow, Ian J.; Spitzmesser, Stefan K.; Scott, Peter","Half-Sandwich Group 4 Salicyloxazoline Catalysts","Organometallics","2006","25","26","6019","","10.1021/om060687h","","","0.71073","MoKα","","0.116","0.0669","","","0.1246","0.1396","","","","","","0.874","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074480","9.9224","0.0002","13.8597","0.0003","23.0046","0.0005","90","","98.59","0.001","90","","3128.14","0.12","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H41.5 Cl2 Hf N O2.25 -","- C28 H39 Cl2 Hf N O2.25 -","- C112 H156 Cl8 Hf4 N4 O9 -","4","1","","Coles, Stuart R.; Clarkson, Guy J.; Gott, Andrew L.; Munslow, Ian J.; Spitzmesser, Stefan K.; Scott, Peter","Half-Sandwich Group 4 Salicyloxazoline Catalysts","Organometallics","2006","25","26","6019","","10.1021/om060687h","","","0.71073","MoKα","","0.0511","0.0387","","","0.0894","0.0917","","","","","","0.957","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074481","10.8183","0.0008","21.372","0.0015","17.4369","0.0013","90","","93.297","0.003","90","","4024.9","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","10","Bis(diphenyl(ferrocenylethynyl)phosphane)palladium dichloride","","- C48 H38 Cl2 Fe2 P2 Pd -","- C48 H38 Cl2 Fe2 P2 Pd -","- C192 H152 Cl8 Fe8 P8 Pd4 -","4","1","","Baumgartner, Thomas; Fiege, Marcel; Pontzen, Florian; Arteaga-Müller, Rocio","Redox-Active, Multinuclear (Ferrocenylethynyl)phosphanes and Their Palladium and Platinum Complexes","Organometallics","2006","25","23","5657","","10.1021/om0606892","","","0.71073","MoKα","","0.0952","0.0704","","","0.1216","0.1302","","","","","","1.164","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074482","10.895","0.002","21.539","0.004","17.514","0.003","90","","93.625","0.003","90","","4101.7","1.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","11","Bis(diphenyl(ferrocenylethynyl)phosphane)platinum dichloride","","- C48 H38 Cl2 Fe2 P2 Pt -","- C48 H38 Cl2 Fe2 P2 Pt -","- C192 H152 Cl8 Fe8 P8 Pt4 -","4","1","","Baumgartner, Thomas; Fiege, Marcel; Pontzen, Florian; Arteaga-Müller, Rocio","Redox-Active, Multinuclear (Ferrocenylethynyl)phosphanes and Their Palladium and Platinum Complexes","Organometallics","2006","25","23","5657","","10.1021/om0606892","","","0.71073","MoKα","","0.0521","0.0302","","","0.0641","0.0743","","","","","","1.092","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074483","7.601","0.003","12.04","0.002","13.0166","0.0017","107.208","0.013","101.176","0.019","102.58","0.02","1067.1","0.5","228","2","228","2","","","","","","","","6","P -1","-P 1","2","13","Bis(diphenyl(ferrocenylethynyl)phosphane)palladium diiodide","","- C48 H38 Fe2 I2 P2 Pd -","- C48 H38 Fe2 I2 P2 Pd -","- C48 H38 Fe2 I2 P2 Pd -","1","0.5","","Baumgartner, Thomas; Fiege, Marcel; Pontzen, Florian; Arteaga-Müller, Rocio","Redox-Active, Multinuclear (Ferrocenylethynyl)phosphanes and Their Palladium and Platinum Complexes","Organometallics","2006","25","23","5657","","10.1021/om0606892","","","0.71073","MoKα","","0.074","0.0656","","","0.2089","0.2159","","","","","","1.097","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074484","12.712","0.002","14.622","0.003","15.029","0.004","80.204","0.013","65.035","0.009","64.229","0.011","2280.3","0.9","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H35 N2 Na O2 -","- C23 H35 N2 Na O2 -","- C92 H140 N8 Na4 O8 -","4","2","","Zhang, Dao; Kawaguchi, Hiroyuki","Deprotonation Attempts on Imidazolium Salt Tethered by Substituted Phenol and Construction of Its Magnesium Complex by Transmetalation","Organometallics","2006","25","22","5506","5509","10.1021/om060691t","","","0.7107","MoKα","","","0.055","","","","0.164","","","","","","1.004","","","","has coordinates","209866","2020-10-21","18:00:00",""
"4074485","12.325","0.004","25.461","0.009","17.227","0.006","90","","89.957","0.005","90","","5406","3","123.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C56 H78 Mg2 N4 O2 -","- C56 H76 Mg2 N4 O2 -","- C224 H304 Mg8 N16 O8 -","4","1","","Zhang, Dao; Kawaguchi, Hiroyuki","Deprotonation Attempts on Imidazolium Salt Tethered by Substituted Phenol and Construction of Its Magnesium Complex by Transmetalation","Organometallics","2006","25","22","5506","5509","10.1021/om060691t","","","0.7107","MoKα","","","0.067","","","","0.129","","","","","","0.978","","","","has coordinates","209866","2020-10-21","18:00:00",""
"4074486","11.4095","0.0015","21.711","0.004","22.396","0.004","90","","90.851","0.006","90","","5547.1","1.6","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H50 Al F15 N2 Zr -","- C63 H50 Al F15 N2 Zr -","- C252 H200 Al4 F60 N8 Zr4 -","4","1","","Tsurugi, Hayato; Mashima, Kazushi","Preparation and Characterization of a Zwitterionic (Iminopyrrolyl)zirconium Complex with Benzylaluminate Anion and Its Catalytic Performance for 1-Hexene Polymerization","Organometallics","2006","25","22","5210","","10.1021/om060692l","","","0.71075","MoKα","","0.1336","0.0735","","","0.1646","0.1891","","","","","","1.021","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074487","14.3246","0.0003","10.0441","0.0003","16.7107","0.0004","90","","91.807","0.002","90","","2403.1","0.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(eta^5-pentamethylcyclopentadienyl)-tris(tert.butyl)-di-aluminium","","- C22 H42 Al2 -","- C22 H42 Al2 -","- C88 H168 Al8 -","4","1","","Schulz, Stephan; Kuczkowski, Andreas; Schuchmann, Daniella; Flörke, Ulrich; Nieger, Martin","Group 13−Group 13 Donor−Acceptor Complexes","Organometallics","2006","25","22","5487","","10.1021/om0606946","","","0.71073","MoKα","","0.084","0.0743","","","0.1901","0.1952","","","","","","1.135","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074488","14.24","0.006","9.951","0.004","16.567","0.007","90","","91.545","0.011","90","","2346.7","1.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Al Ga -","- C22 H42 Al Ga -","- C88 H168 Al4 Ga4 -","4","1","","Schulz, Stephan; Kuczkowski, Andreas; Schuchmann, Daniella; Flörke, Ulrich; Nieger, Martin","Group 13−Group 13 Donor−Acceptor Complexes","Organometallics","2006","25","22","5487","","10.1021/om0606946","","","0.71073","MoKα","","0.1932","0.1074","","","0.2604","0.2959","","","","","","0.972","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074489","14.14","0.004","10.496","0.003","16.579","0.004","90","","90.629","0.005","90","","2460.4","1.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Al In -","- C22 H42 Al In -","- C88 H168 Al4 In4 -","4","1","","Schulz, Stephan; Kuczkowski, Andreas; Schuchmann, Daniella; Flörke, Ulrich; Nieger, Martin","Group 13−Group 13 Donor−Acceptor Complexes","Organometallics","2006","25","22","5487","","10.1021/om0606946","","","0.71073","MoKα","","0.1218","0.1017","","","0.2401","0.2508","","","","","","1.124","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074490","14.309","0.004","9.947","0.003","16.646","0.005","90","","91.432","0.007","90","","2368.5","1.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Al Ga -","- C22 H42 Al Ga -","- C88 H168 Al4 Ga4 -","4","1","","Schulz, Stephan; Kuczkowski, Andreas; Schuchmann, Daniella; Flörke, Ulrich; Nieger, Martin","Group 13−Group 13 Donor−Acceptor Complexes","Organometallics","2006","25","22","5487","","10.1021/om0606946","","","0.71073","MoKα","","0.1524","0.0901","","","0.1971","0.2169","","","","","","1.002","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074491","14.179","0.006","10.519","0.004","16.601","0.007","90","","90.153","0.006","90","","2476","1.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Ga In -","- C22 H42 Ga In -","- C88 H168 Ga4 In4 -","4","1","","Schulz, Stephan; Kuczkowski, Andreas; Schuchmann, Daniella; Flörke, Ulrich; Nieger, Martin","Group 13−Group 13 Donor−Acceptor Complexes","Organometallics","2006","25","22","5487","","10.1021/om0606946","","","0.71073","MoKα","","0.1409","0.097","","","0.2499","0.2739","","","","","","1.086","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074492","14.2815","0.0008","14.4823","0.0008","14.7312","0.0008","70.554","0.001","89.09","0.001","69.785","0.001","2679.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H93 Ir2 N2 P4 -","- C51 H93 Ir2 N2 P4 -","- C102 H186 Ir4 N4 P8 -","2","1","","Ghosh, Rajshekhar; Kanzelberger, Mira; Emge, Thomas J.; Hall, Gene S.; Goldman, Alan S.","Dinitrogen Complexes of Pincer-Ligated Iridium","Organometallics","2006","25","23","5668","","10.1021/om0607043","","","0.71073","MoKα","","0.0213","0.019","","","0.0459","0.0468","","","","","","1.007","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074493","11.2546","0.0008","15.851","0.0011","29.533","0.002","89.034","0.001","81.718","0.001","88.825","0.001","5212","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H43 Ir N2 P2 -","- C24 H43 Ir N2 P2 -","- C192 H344 Ir8 N16 P16 -","8","4","","Ghosh, Rajshekhar; Kanzelberger, Mira; Emge, Thomas J.; Hall, Gene S.; Goldman, Alan S.","Dinitrogen Complexes of Pincer-Ligated Iridium","Organometallics","2006","25","23","5668","","10.1021/om0607043","","","0.71073","MoKα","","0.0235","0.0202","","","0.0421","0.0431","","","","","","1.011","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074494","8.6034","0.0016","13.1","0.002","19.985","0.004","103.091","0.003","101.413","0.004","96.798","0.004","2118.8","0.7","90","2","90","","","","","","","","","4","P -1","-P 1","2","5a","","","- C24 H60 O14 Si8 -","- C24 H60 O14 Si8 -","- C48 H120 O28 Si16 -","2","1","","Suyama, Ken-ichi; Gunji, Takahiro; Arimitsu, Koji; Abe, Yoshimoto","Synthesis and Structure of Ladder Oligosilsesquioxanes: Tricyclic Ladder Oligomethylsilsesquioxanes","Organometallics","2006","25","23","5587","","10.1021/om060705v","","","0.71073","MoKα","","0.0662","0.058","","","0.1729","0.1843","","","","","","1.104","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074495","8.5654","0.0014","13.721","0.002","19.278","0.003","76.599","0.002","78.407","0.002","83.239","0.002","2153","0.6","90","","90","","","","","","","","","4","P -1","-P 1","2","5d","","","- C24 H60 O14 Si8 -","- C24 H60 O14 Si8 -","- C48 H120 O28 Si16 -","2","1","","Suyama, Ken-ichi; Gunji, Takahiro; Arimitsu, Koji; Abe, Yoshimoto","Synthesis and Structure of Ladder Oligosilsesquioxanes: Tricyclic Ladder Oligomethylsilsesquioxanes","Organometallics","2006","25","23","5587","","10.1021/om060705v","","","0.71073","MoKα","","0.0702","0.0554","","","0.1225","0.1279","","","","","","1.153","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074496","8.84","0.004","30.94","0.013","11.113","0.005","90","","98.779","0.008","90","","3004","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ti(dmpm-mes)(NMe2)2","","","- C33 H44 N4 Ti -","- C33 H44 N4 Ti -","- C132 H176 N16 Ti4 -","4","1","","Swartz, Douglas L.; Odom, Aaron L.","Synthesis, Structure, and Hydroamination Kinetics of (2,2‘-Diaryldipyrrolylmethane)- and Bis(2-arylpyrrolyl)titanium Complexes","Organometallics","2006","25","26","6125","","10.1021/om0607088","","","0.71073","MoKα","","0.2849","0.0809","","","0.1948","0.3091","","","","","","0.983","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074497","19.534","0.003","8.1035","0.0012","19.178","0.003","90","","105.277","0.003","90","","2928.5","0.8","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ti(NMe2)2(2-(3,5-CF3C6H3)pyrrolyl)2","","","- C28 H24 F12 N4 Ti -","- C28 H24 F12 N4 Ti -","- C112 H96 F48 N16 Ti4 -","4","1","","Swartz, Douglas L.; Odom, Aaron L.","Synthesis, Structure, and Hydroamination Kinetics of (2,2‘-Diaryldipyrrolylmethane)- and Bis(2-arylpyrrolyl)titanium Complexes","Organometallics","2006","25","26","6125","","10.1021/om0607088","","","0.71073","MoKα","","0.0919","0.0512","","","0.1328","0.1534","","","","","","1.03","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074498","12.602","0.01","12.626","0.011","12.793","0.011","78.106","0.014","64.44","0.012","62.658","0.012","1631","2","172","2","172","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 F12 N4 Ti -","- C31 H28 F12 N4 Ti -","- C62 H56 F24 N8 Ti2 -","2","1","","Swartz, Douglas L.; Odom, Aaron L.","Synthesis, Structure, and Hydroamination Kinetics of (2,2‘-Diaryldipyrrolylmethane)- and Bis(2-arylpyrrolyl)titanium Complexes","Organometallics","2006","25","26","6125","","10.1021/om0607088","","","0.71073","MoKα","","0.112","0.0634","","","0.1648","0.201","","","","","","1.009","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074499","7.7446","0.0011","12.2148","0.0017","16.177","0.002","74.266","0.003","82.985","0.003","72.952","0.003","1406.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40 N4 Ti -","- C30 H40 N4 Ti -","- C60 H80 N8 Ti2 -","2","1","","Swartz, Douglas L.; Odom, Aaron L.","Synthesis, Structure, and Hydroamination Kinetics of (2,2‘-Diaryldipyrrolylmethane)- and Bis(2-arylpyrrolyl)titanium Complexes","Organometallics","2006","25","26","6125","","10.1021/om0607088","","","0.71073","MoKα","","0.0989","0.0632","","","0.169","0.188","","","","","","1.056","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074500","7.771","0.002","16.806","0.005","11.91","0.004","90","","103.515","0.005","90","","1512.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Fe2 O7 S2 -","- C10 H8 Fe2 O7 S2 -","- C40 H32 Fe8 O28 S8 -","4","1","","Song, Li-Cheng; Gao, Jie; Wang, Hu-Ting; Hua, Yu-Juan; Fan, Hong-Tao; Zhang, Xiao-Guang; Hu, Qing-Mei","Synthesis and Structural Characterization of Metallocrown Ethers Containing Butterfly Fe2S2Cluster Cores. Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2CH2OCH2CH2S-μ)(CO)6","Organometallics","2006","25","24","5724","","10.1021/om060711r","","","0.71073","MoKα","","0.0454","0.0295","","","0.0571","0.0625","","","","","","1.027","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074501","24.931","0.01","8.33","0.003","22.685","0.009","90","","94.437","0.013","90","","4697","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Fe4 N0 O20 S4 -","- C32 H40 Fe4 O20 S4 -","- C128 H160 Fe16 O80 S16 -","4","0.5","","Song, Li-Cheng; Gao, Jie; Wang, Hu-Ting; Hua, Yu-Juan; Fan, Hong-Tao; Zhang, Xiao-Guang; Hu, Qing-Mei","Synthesis and Structural Characterization of Metallocrown Ethers Containing Butterfly Fe2S2Cluster Cores. Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2CH2OCH2CH2S-μ)(CO)6","Organometallics","2006","25","24","5724","","10.1021/om060711r","","","0.71073","MoKα","","0.0953","0.0405","","","0.0817","0.113","","","","","","0.953","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074502","15.933","0.005","10.426","0.003","38.005","0.011","90","","95.643","0.005","90","","6283","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Fe4 O14 S4 -","- C20 H16 Fe4 O14 S4 -","- C160 H128 Fe32 O112 S32 -","8","2","","Song, Li-Cheng; Gao, Jie; Wang, Hu-Ting; Hua, Yu-Juan; Fan, Hong-Tao; Zhang, Xiao-Guang; Hu, Qing-Mei","Synthesis and Structural Characterization of Metallocrown Ethers Containing Butterfly Fe2S2Cluster Cores. Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2CH2OCH2CH2S-μ)(CO)6","Organometallics","2006","25","24","5724","","10.1021/om060711r","","","0.71073","MoKα","","0.1157","0.0566","","","0.0945","0.1091","","","","","","1.027","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074503","11.3991","0.001","14.296","0.0016","14.8001","0.0011","68.146","0.001","68.994","0.001","88.697","0.002","2072.6","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H16 Fe2 O9 S2 -","- C14 H16 Fe2 O9 S2 -","- C56 H64 Fe8 O36 S8 -","4","4","","Song, Li-Cheng; Gao, Jie; Wang, Hu-Ting; Hua, Yu-Juan; Fan, Hong-Tao; Zhang, Xiao-Guang; Hu, Qing-Mei","Synthesis and Structural Characterization of Metallocrown Ethers Containing Butterfly Fe2S2Cluster Cores. Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2CH2OCH2CH2S-μ)(CO)6","Organometallics","2006","25","24","5724","","10.1021/om060711r","","","0.71073","MoKα","","0.0429","0.032","","","0.0816","0.0888","","","","","","1.02","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074504","11.368","0.002","28.186","0.005","11.873","0.002","90","","112.828","0.004","90","","3506.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H47 Br2 Cl3 P2 Pd2 -","- C29 H47 Br2 Cl3 P2 Pd2 -","- C116 H188 Br8 Cl12 P8 Pd8 -","4","1","","Christmann, Ute; Pantazis, Dimitrios A.; Benet-Buchholz, Jordi; McGrady, John E.; Maseras, Feliu; Vilar, Ramón","Synthesis and Computational Studies of Palladium(I) Dimers Pd2X2(PtBu2Ph)2(X = Br, I): Phenyl versus Halide Bridging Modes","Organometallics","2006","25","26","5990","","10.1021/om060712j","","","0.71073","MoKα","","0.085","0.0411","","","0.081","0.0921","","","","","","1.009","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074505","13.3714","0.0008","16.3972","0.001","16.369","0.0009","90","","94.351","0.001","90","","3578.6","0.4","115","2","115","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H54 Cl Fe Ir O P2 -","- C35 H54 Cl Fe Ir O P2 -","- C140 H216 Cl4 Fe4 Ir4 O4 P8 -","4","1","","Kuklin, Sergey A.; Sheloumov, Alexey M.; Dolgushin, Fedor M.; Ezernitskaya, Mariam G.; Peregudov, Alexander S.; Petrovskii, Pavel V.; Koridze, Avthandil A.","Highly Active Iridium Catalysts for Alkane Dehydrogenation. Synthesis and Properties of Iridium Bis(phosphine) Pincer Complexes Based on Ferrocene and Ruthenocene","Organometallics","2006","25","22","5466","","10.1021/om060715w","","","0.71073","MoKα","","0.0356","0.0309","","","0.0738","0.0759","","","","","","1.025","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074506","8.552","0.002","18.948","0.005","18.375","0.006","90","","92.55","0.03","90","","2974.6","1.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H47 Fe Ir O P2 -","- C29 H47 Fe Ir O P2 -","- C116 H188 Fe4 Ir4 O4 P8 -","4","1","","Kuklin, Sergey A.; Sheloumov, Alexey M.; Dolgushin, Fedor M.; Ezernitskaya, Mariam G.; Peregudov, Alexander S.; Petrovskii, Pavel V.; Koridze, Avthandil A.","Highly Active Iridium Catalysts for Alkane Dehydrogenation. Synthesis and Properties of Iridium Bis(phosphine) Pincer Complexes Based on Ferrocene and Ruthenocene","Organometallics","2006","25","22","5466","","10.1021/om060715w","","","0.71073","MoKα","","0.0398","0.0251","","","0.0617","0.066","","","","","","1.02","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074507","8.2658","0.0007","12.0302","0.0011","13.4002","0.0012","100.742","0.002","96.022","0.002","103.813","0.002","1255.61","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H39 Ir O3 P2 -","- C23 H39 Ir O3 P2 -","- C46 H78 Ir2 O6 P4 -","2","1","","Kuklin, Sergey A.; Sheloumov, Alexey M.; Dolgushin, Fedor M.; Ezernitskaya, Mariam G.; Peregudov, Alexander S.; Petrovskii, Pavel V.; Koridze, Avthandil A.","Highly Active Iridium Catalysts for Alkane Dehydrogenation. Synthesis and Properties of Iridium Bis(phosphine) Pincer Complexes Based on Ferrocene and Ruthenocene","Organometallics","2006","25","22","5466","","10.1021/om060715w","","","0.71073","MoKα","","0.0303","0.0266","","","0.0657","0.0674","","","","","","1.049","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074508","11.359","0.002","11.784","0.002","12.843","0.003","100.44","0.03","94.37","0.03","115.06","0.03","1508.7","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H50 O4 P2 -","- C30 H50 O4 P2 -","- C60 H100 O8 P4 -","2","1","","Dodds, Deborah L.; Haddow, Mairi F.; Orpen, A. Guy; Pringle, Paul G.; Woodward, Gary","Stereospecific Diphosphination of Activated Acetylenes: A General Route to Backbone-Functionalized, Chelating 1,2-Diphosphinoethenes","Organometallics","2006","25","25","5937","","10.1021/om060716o","","","0.71073","MoKα","","0.0492","0.0425","","","0.0985","0.1023","","","","","","1.048","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074509","13.2422","0.001","19.2312","0.0019","14.6945","0.0011","90","","94.133","0.008","90","","3732.4","0.5","173","2","446","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H51 Cl5 O4 P2 Pt -","- C31 H51 Cl5 O4 P2 Pt -","- C124 H204 Cl20 O16 P8 Pt4 -","4","1","","Dodds, Deborah L.; Haddow, Mairi F.; Orpen, A. Guy; Pringle, Paul G.; Woodward, Gary","Stereospecific Diphosphination of Activated Acetylenes: A General Route to Backbone-Functionalized, Chelating 1,2-Diphosphinoethenes","Organometallics","2006","25","25","5937","","10.1021/om060716o","","","0.71073","MoKα","","0.0526","0.032","","","0.0641","0.0678","","","","","","0.927","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074510","8.8712","0.0005","11.635","0.0007","17.5707","0.001","90.801","0.001","104.334","0.001","108.685","0.001","1655.89","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H35 Cl5 O4 P2 Pt -","- C27 H35 Cl5 O4 P2 Pt -","- C54 H70 Cl10 O8 P4 Pt2 -","2","1","","Dodds, Deborah L.; Haddow, Mairi F.; Orpen, A. Guy; Pringle, Paul G.; Woodward, Gary","Stereospecific Diphosphination of Activated Acetylenes: A General Route to Backbone-Functionalized, Chelating 1,2-Diphosphinoethenes","Organometallics","2006","25","25","5937","","10.1021/om060716o","","","0.71073","MoKα","","0.0414","0.0339","","","0.0833","0.0868","","","","","","1.02","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074511","12.271","0.003","14.619","0.003","18.508","0.004","90","","93.4","0.03","90","","3314.3","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 Cl4 O4 P2 Pt -","- C31 H40 Cl4 O4 P2 Pt -","- C124 H160 Cl16 O16 P8 Pt4 -","4","1","","Dodds, Deborah L.; Haddow, Mairi F.; Orpen, A. Guy; Pringle, Paul G.; Woodward, Gary","Stereospecific Diphosphination of Activated Acetylenes: A General Route to Backbone-Functionalized, Chelating 1,2-Diphosphinoethenes","Organometallics","2006","25","25","5937","","10.1021/om060716o","","","0.71073","MoKα","","0.0518","0.0378","","","0.0887","0.1115","","","","","","1.021","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074512","8.844","0.003","11.587","0.005","17.47","0.007","90.783","0.009","104.471","0.008","109.036","0.009","1629.8","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H35 Cl5 O4 P2 Pd -","- C27 H35 Cl5 O4 P2 Pd -","- C54 H70 Cl10 O8 P4 Pd2 -","2","1","","Dodds, Deborah L.; Haddow, Mairi F.; Orpen, A. Guy; Pringle, Paul G.; Woodward, Gary","Stereospecific Diphosphination of Activated Acetylenes: A General Route to Backbone-Functionalized, Chelating 1,2-Diphosphinoethenes","Organometallics","2006","25","25","5937","","10.1021/om060716o","","","0.71073","MoKα","","0.0445","0.0334","","","0.0836","0.0893","","","","","","1.041","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074513","12.398","0.003","12.884","0.003","14.925","0.003","90","","113.66","0.03","90","","2183.7","1","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 F6 N4 O2 P Rh -","- C17 H24 F6 N4 O2 P Rh -","- C68 H96 F24 N16 O8 P4 Rh4 -","4","1","","Leung, Chin Hin; Incarvito, Christopher D.; Crabtree, Robert H.","Interplay of Linker,N-Substituent, and Counterion Effects in the Formation and Geometrical Distortion ofN-Heterocyclic Biscarbene Complexes of Rhodium(I)","Organometallics","2006","25","26","6099","","10.1021/om0607189","","","0.71073","MoKα","","0.0456","0.0335","","","0.0804","0.0849","","","","","","1.04","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074514","24.919","0.005","13.643","0.003","15.498","0.003","90","","92.83","0.03","90","","5262.4","1.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 F6 N4 P Rh -","- C23 H36 F6 N4 P Rh -","- C184 H288 F48 N32 P8 Rh8 -","8","2","","Leung, Chin Hin; Incarvito, Christopher D.; Crabtree, Robert H.","Interplay of Linker,N-Substituent, and Counterion Effects in the Formation and Geometrical Distortion ofN-Heterocyclic Biscarbene Complexes of Rhodium(I)","Organometallics","2006","25","26","6099","","10.1021/om0607189","","","0.71073","MoKα","","0.0666","0.0452","","","0.1218","0.132","","","","","","1.012","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074515","12.6554","0.0017","21.369","0.003","16.374","0.002","90","","99.367","0.002","90","","4369","1","294","2","294","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C42 H64 Al N3 Si2 -","- C42 H64 Al N3 Si2 -","- C168 H256 Al4 N12 Si8 -","4","2","","Li, Xiaofei; Duan, Lili; Song, Haibin; Ni, Chengbao; Cui, Chunming","Facile Generation of Aluminum 1,2-Dihydropyridyl and Hydroxyl Derivatives from an Aluminum Cyclopropene Analogue","Organometallics","2006","25","23","5665","","10.1021/om060722k","","","0.71073","MoKα","","0.1182","0.0642","","","0.1571","0.1929","","","","","","1.007","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074516","11.326","0.004","19.69","0.007","18.246","0.006","90","","102.217","0.004","90","","3977","2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H62 Al N2 O Si2 -","- C37 H62 Al N2 O Si2 -","- C148 H248 Al4 N8 O4 Si8 -","4","1","","Li, Xiaofei; Duan, Lili; Song, Haibin; Ni, Chengbao; Cui, Chunming","Facile Generation of Aluminum 1,2-Dihydropyridyl and Hydroxyl Derivatives from an Aluminum Cyclopropene Analogue","Organometallics","2006","25","23","5665","","10.1021/om060722k","","","0.71073","MoKα","","0.0671","0.0454","","","0.1215","0.1355","","","","","","1.031","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074517","15.81","0.004","7.3312","0.0015","10.694","0.003","90","","98.64","0.03","90","","1225.4","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Cl2 O2 Pt -","- C8 H16 Cl2 O2 Pt -","- C32 H64 Cl8 O8 Pt4 -","4","0.5","","Werner, Michael; Lis, Tadeusz; Bruhn, Clemens; Lindner, Ronald; Steinborn, Dirk","Synthesis and Reactivity of Bis(alkoxyalkylidene)platinum(II) Complexes§","Organometallics","2006","25","25","5946","","10.1021/om060725x","","","0.71073","MoKα","","0.0306","0.0287","","","0.0889","0.0937","","","","","","1.354","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074518","11.448","0.003","12.132","0.003","14.356","0.003","90","","92.27","0.03","90","","1992.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O2 Pt -","- C6 H12 Cl2 O2 Pt -","- C48 H96 Cl16 O16 Pt8 -","8","2","","Werner, Michael; Lis, Tadeusz; Bruhn, Clemens; Lindner, Ronald; Steinborn, Dirk","Synthesis and Reactivity of Bis(alkoxyalkylidene)platinum(II) Complexes§","Organometallics","2006","25","25","5946","","10.1021/om060725x","","","0.71073","MoKα","","0.0575","0.0494","","","0.1324","0.1381","","","","","","1.075","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074519","9.71","0.003","13.593","0.004","15.154","0.005","85.181","0.008","89.777","0.008","77.53","0.008","1945.8","1.1","293","2","293","2","","","","","","","","7","P 1","P 1","1","[PdCl(2-methallyl)(phosphoramidite)]","","","- C80 H76 Cl2 N2 O12 P2 Pd2 -","- C40 H38 Cl N O6 P Pd -","- C80 H76 Cl2 N2 O12 P2 Pd2 -","2","2","","Filipuzzi, Serena; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia","Palladium-Allyl Phosphoramidite Complexes: Solid-State Structures and Solution Dynamics","Organometallics","2006","25","25","5955","","10.1021/om060726p","","","0.71073","MoKα","","0.1182","0.0913","","","0.2219","0.2406","","","","","","1.046","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074520","11.502","0.004","6.147","0.003","24.67","0.009","90","","101.81","0.03","90","","1707.3","1.2","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 Cr N O5 -","- C18 H11 Cr N O5 -","- C72 H44 Cr4 N4 O20 -","4","1","","Szesni, Normen; Drexler, Matthias; Maurer, Jörg; Winter, Rainer F.; de Montigny, Frédéric; Lapinte, Claude; Steffens, Stefan; Heck, Jürgen; Weibert, Bernhard; Fischer, Helmut","Intermetallic Communication through Carbon Wires in Heterobinuclear Cationic Allenylidene Complexes of Chromium","Organometallics","2006","25","24","5774","","10.1021/om0607301","","","0.71073","MoKα","","0.1126","0.0548","","","0.1037","0.1226","","","","","","1.018","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074521","13.557","0.003","17.219","0.003","12.975","0.003","90","","97.52","0.03","90","","3002.8","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 Cr Fe N O4 P -","- C35 H28 Cr Fe N O4 P -","- C140 H112 Cr4 Fe4 N4 O16 P4 -","4","1","","Szesni, Normen; Drexler, Matthias; Maurer, Jörg; Winter, Rainer F.; de Montigny, Frédéric; Lapinte, Claude; Steffens, Stefan; Heck, Jürgen; Weibert, Bernhard; Fischer, Helmut","Intermetallic Communication through Carbon Wires in Heterobinuclear Cationic Allenylidene Complexes of Chromium","Organometallics","2006","25","24","5774","","10.1021/om0607301","","","0.71073","MoKα","","0.0988","0.053","","","0.1119","0.1235","","","","","","0.856","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074522","10.2456","0.0006","16.1291","0.001","17.4406","0.001","83.523","0.001","82.495","0.001","76.275","0.001","2765.8","0.3","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H87 N O2 P8 W2 -","- C42 H87 N O2 P8 W2 -","- C84 H174 N2 O4 P16 W4 -","2","1","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0581","0.0329","","","0.0616","0.0687","","","","","","1.004","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074523","9.4138","0.0006","17.4475","0.0012","18.0247","0.0012","90","","90","","90","","2960.5","0.3","243","2","243","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H42 N O2 P3 W -","- C27 H42 N O2 P3 W -","- C108 H168 N4 O8 P12 W4 -","4","1","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0561","0.0288","","","0.0515","0.0564","","","","","","1.007","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074524","9.4689","0.0004","14.379","0.0006","19.3448","0.0009","90","","90","","90","","2633.9","0.2","243","2","243","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C104 H124 N4 O16 P8 W4 -","- C104 H124 N4 O16 P8 W4 -","- C104 H124 N4 O16 P8 W4 -","1","0.25","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0211","0.0184","","","0.0411","0.0421","","","","","","1.032","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074525","11.9538","0.0007","24.4189","0.0017","23.581","0.0016","90","","90","","90","","6883.3","0.8","243","2","243","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C27 H40 N O2 P3 W -","- C27 H40 N O2 P3 W -","- C216 H320 N8 O16 P24 W8 -","8","1","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.1517","0.0599","","","0.1586","0.1892","","","","","","1.013","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074526","13.9931","0.0007","15.0248","0.0007","21.9786","0.0012","90","","90","","90","","4620.9","0.4","243","2","243","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H30 N O2 P W -","- C25 H30 N O2 P W -","- C200 H240 N8 O16 P8 W8 -","8","1","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0496","0.026","","","0.0545","0.0613","","","","","","1.091","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074527","10.027","0.007","12.188","0.008","17.573","0.013","90","","105.791","0.012","90","","2067","3","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 N2 O4 P2 W -","- C48 H50 N2 O4 P2 W -","- C96 H100 N4 O8 P4 W2 -","2","0.5","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0972","0.0723","","","0.1724","0.1871","","","","","","1.058","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074528","12.8372","0.0012","17.6683","0.0016","16.1539","0.0015","90","","103.227","0.002","90","","3566.7","0.6","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H51 N O2 P4 W -","- C30 H51 N O2 P4 W -","- C120 H204 N4 O8 P16 W4 -","4","1","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0301","0.0207","","","0.0443","0.0465","","","","","","1.034","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074529","10.9509","0.0004","13.9651","0.0005","28.37","0.0011","90","","90","","90","","4338.6","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H55 Au N2 O9 S -","- C41 H55 Au N2 O9 S -","- C164 H220 Au4 N8 O36 S4 -","4","1","","de Frémont, Pierre; Stevens, Edwin D.; Eelman, Melanie D.; Fogg, Deryn E.; Nolan, Steven P.","Synthesis and Characterization of Gold(I)N-Heterocyclic Carbene Complexes Bearing Biologically Compatible Moieties","Organometallics","2006","25","24","5824","","10.1021/om060733d","","","0.71073","MoKα","","0.0531","0.0392","","","0.0912","0.0958","","","","","","1.063","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074530","15.4337","0.0009","16.4214","0.0009","15.8384","0.0009","90","","101.566","0.001","90","","3932.6","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 Au Cl3 N3 O3 S -","- C35 H41 Au Cl3 N3 O3 S -","- C140 H164 Au4 Cl12 N12 O12 S4 -","4","1","","de Frémont, Pierre; Stevens, Edwin D.; Eelman, Melanie D.; Fogg, Deryn E.; Nolan, Steven P.","Synthesis and Characterization of Gold(I)N-Heterocyclic Carbene Complexes Bearing Biologically Compatible Moieties","Organometallics","2006","25","24","5824","","10.1021/om060733d","","","0.71073","MoKα","","0.0526","0.0325","","","0.072","0.0813","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074531","10.3467","0.0003","10.9956","0.0001","14.9663","0.0004","96.362","0.001","107.81","","93.639","0.001","1602.55","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 B F4 Fe N P2 -","- C36 H30 B F4 Fe N P2 -","- C72 H60 B2 F8 Fe2 N2 P4 -","2","1","","Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning","Rhombic Dodecahedral Ag8M6(M = Cu, Ag, Au) Cluster Complexes of Ferrocenylethynyl Prepared by Reaction of (AgC⋮CFc)nwith [M2(Ph2PNHPh2)2(MeCN)2]2+(M = Cu, Ag, Au)","Organometallics","2006","25","21","4941","","10.1021/om0607346","","","0.71073","MoKα","","0.0986","0.0637","","","0.1554","0.1855","","","","","","1.091","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4074532","16.261","0.005","18.153","0.007","27.627","0.009","87.95","0.011","75.424","0.01","74.763","0.007","7611","5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C145 H127 Ag8 Cl3 Cu6 Fe12 O9 -","- C145 H110 Ag8 Cl3 Cu6 Fe12 O9 -","- C290 H220 Ag16 Cl6 Cu12 Fe24 O18 -","2","1","","Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning","Rhombic Dodecahedral Ag8M6(M = Cu, Ag, Au) Cluster Complexes of Ferrocenylethynyl Prepared by Reaction of (AgC⋮CFc)nwith [M2(Ph2PNHPh2)2(MeCN)2]2+(M = Cu, Ag, Au)","Organometallics","2006","25","21","4941","","10.1021/om0607346","","","0.71073","MoKα","","0.1388","0.0867","","","0.2629","0.3029","","","","","","1.078","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074533","15.6539","0.0003","16.7787","0.0002","17.6979","0.0002","79.829","0.001","69.036","0.001","62.276","0.001","3842.09","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H64.5 Ag7 Cl0.5 Fe6 O5.5 -","- C72 H54 Ag7 Cl0.5 Fe6 O5.5 -","- C144 H108 Ag14 Cl Fe12 O11 -","2","1","","Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning","Rhombic Dodecahedral Ag8M6(M = Cu, Ag, Au) Cluster Complexes of Ferrocenylethynyl Prepared by Reaction of (AgC⋮CFc)nwith [M2(Ph2PNHPh2)2(MeCN)2]2+(M = Cu, Ag, Au)","Organometallics","2006","25","21","4941","","10.1021/om0607346","","","0.71073","MoKα","","0.1479","0.1053","","","0.2644","0.3126","","","","","","1.292","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074534","15.6892","0.0001","16.7712","0.0003","17.7327","0.0003","81.126","0.001","68.883","0.001","62.678","0.001","3866.69","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H64.5 Ag4 Au3 Cl0.5 Fe6 O5.5 -","- C72 H54 Ag4 Au3 Cl0.5 Fe6 O5.5 -","- C144 H108 Ag8 Au6 Cl Fe12 O11 -","2","1","","Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning","Rhombic Dodecahedral Ag8M6(M = Cu, Ag, Au) Cluster Complexes of Ferrocenylethynyl Prepared by Reaction of (AgC⋮CFc)nwith [M2(Ph2PNHPh2)2(MeCN)2]2+(M = Cu, Ag, Au)","Organometallics","2006","25","21","4941","","10.1021/om0607346","","","0.71073","MoKα","","0.1473","0.0986","","","0.253","0.3117","","","","","","1.228","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074535","14.5558","0.0002","10.5318","0.0002","14.0477","0.0002","90","","101.332","0.0012","90","","2111.51","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H32 Al Cl2 N Si3 -","- C12 H32 Al Cl2 N Si3 -","- C48 H128 Al4 Cl8 N4 Si12 -","4","1","","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","[1]Ferrocenophanes, [1]Chromarenophanes, and [1]Vanadarenophanes with Aluminium and Gallium in Bridging Positions","Organometallics","2006","25","24","5817","","10.1021/om060736q","","","0.71073","MoKα","","0.0452","0.034","","","0.0829","0.0886","","","","","","1.024","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074536","9.0703","0.0002","9.1867","0.0002","18.8627","0.0003","79.4549","0.0012","85.2343","0.0011","61.3777","0.001","1356.36","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H41 Al Fe N Si3 -","- C24 H41 Al Fe N Si3 -","- C48 H82 Al2 Fe2 N2 Si6 -","2","1","","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","[1]Ferrocenophanes, [1]Chromarenophanes, and [1]Vanadarenophanes with Aluminium and Gallium in Bridging Positions","Organometallics","2006","25","24","5817","","10.1021/om060736q","","","0.71073","MoKα","","0.0739","0.0449","","","0.0942","0.107","","","","","","1.025","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074537","8.9673","0.0001","9.1642","0.0001","19.6077","0.0003","81.9412","0.0011","89.5973","0.0011","63.0923","0.0011","1419.78","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Al Cr N Si3 -","- C26 H43 Al Cr N Si3 -","- C52 H86 Al2 Cr2 N2 Si6 -","2","1","","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","[1]Ferrocenophanes, [1]Chromarenophanes, and [1]Vanadarenophanes with Aluminium and Gallium in Bridging Positions","Organometallics","2006","25","24","5817","","10.1021/om060736q","","","0.71073","MoKα","","0.0608","0.0425","","","0.0984","0.1089","","","","","","1.026","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074538","8.9883","0.0002","9.1772","0.0002","19.6458","0.0004","81.3833","0.0014","89.3431","0.0014","63.0831","0.0011","1425.74","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Cr Ga N Si3 -","- C26 H43 Cr Ga N Si3 -","- C52 H86 Cr2 Ga2 N2 Si6 -","2","1","","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","[1]Ferrocenophanes, [1]Chromarenophanes, and [1]Vanadarenophanes with Aluminium and Gallium in Bridging Positions","Organometallics","2006","25","24","5817","","10.1021/om060736q","","","0.71073","MoKα","","0.0776","0.0469","","","0.0932","0.1067","","","","","","1.036","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074539","9.0689","0.0003","9.1768","0.0003","18.9466","0.0006","79.2406","0.0018","85.294","0.002","61.6414","0.0016","1363.14","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H41 Fe Ga N Si3 -","- C24 H41 Fe Ga N Si3 -","- C48 H82 Fe2 Ga2 N2 Si6 -","2","1","","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","[1]Ferrocenophanes, [1]Chromarenophanes, and [1]Vanadarenophanes with Aluminium and Gallium in Bridging Positions","Organometallics","2006","25","24","5817","","10.1021/om060736q","","","0.71073","MoKα","","0.0623","0.0403","","","0.0805","0.09","","","","","","1.04","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074540","8.9681","0.0003","9.1579","0.0003","19.632","0.0005","82.0285","0.0018","89.204","0.002","63.2623","0.0017","1423.9","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Al N Si3 V -","- C26 H43 Al N Si3 V -","- C52 H86 Al2 N2 Si6 V2 -","2","1","","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","[1]Ferrocenophanes, [1]Chromarenophanes, and [1]Vanadarenophanes with Aluminium and Gallium in Bridging Positions","Organometallics","2006","25","24","5817","","10.1021/om060736q","","","0.71073","MoKα","","0.0874","0.051","","","0.1034","0.1205","","","","","","1.027","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074541","8.9868","0.0003","9.1721","0.0003","19.6692","0.0005","81.577","0.002","89.047","0.002","63.324","0.002","1430.88","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Ga N Si3 V -","- C26 H43 Ga N Si3 V -","- C52 H86 Ga2 N2 Si6 V2 -","2","1","","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","[1]Ferrocenophanes, [1]Chromarenophanes, and [1]Vanadarenophanes with Aluminium and Gallium in Bridging Positions","Organometallics","2006","25","24","5817","","10.1021/om060736q","","","0.71073","MoKα","","0.061","0.0403","","","0.082","0.0918","","","","","","1.034","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074542","8.9474","0.0013","13.912","0.002","17.268","0.003","90","","90","","90","","2149.5","0.6","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl2 N2 P Pd -","- C23 H23 Cl2 N2 P Pd -","- C92 H92 Cl8 N8 P4 Pd4 -","4","1","","Hahn, F. Ekkehardt; Jahnke, Mareike C.; Pape, Tania","Synthesis of Palladium and Platinum Complexes with Phosphine-Functionalized Benzimidazolin-2-ylidene Ligands","Organometallics","2006","25","25","5927","","10.1021/om060741u","","","0.71073","MoKα","","0.0534","0.0463","","","0.1028","0.1058","","","","","","1.036","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074543","15.896","0.003","16.054","0.003","18.968","0.003","90","","90","","90","","4840.5","1.5","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Cl2 N2 P Pd -","- C25 H27 Cl2 N2 P Pd -","- C200 H216 Cl16 N16 P8 Pd8 -","8","1","","Hahn, F. Ekkehardt; Jahnke, Mareike C.; Pape, Tania","Synthesis of Palladium and Platinum Complexes with Phosphine-Functionalized Benzimidazolin-2-ylidene Ligands","Organometallics","2006","25","25","5927","","10.1021/om060741u","","","0.71073","MoKα","","0.0568","0.0442","","","0.0927","0.0976","","","","","","1.098","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074544","11.3796","0.0003","16.7644","0.0005","22.7228","0.0007","101.099","0.002","95.263","0.002","93.406","0.002","4222.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C42.5 H43 B2 F8 N3 O0.5 P2 Pd -","- C42.5 H42.5 B2 F8 N3 O0.5 P2 Pd -","- C170 H170 B8 F32 N12 O2 P8 Pd4 -","4","2","","Hahn, F. Ekkehardt; Jahnke, Mareike C.; Pape, Tania","Synthesis of Palladium and Platinum Complexes with Phosphine-Functionalized Benzimidazolin-2-ylidene Ligands","Organometallics","2006","25","25","5927","","10.1021/om060741u","","","1.54178","CuKα","","0.0788","0.0568","","","0.1397","0.1474","","","","","","0.92","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074545","11.0069","0.0008","9.2904","0.0007","21.8926","0.0017","90","","97.8284","0.0011","90","","2217.8","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Ir N P -","- C25 H37 Ir N P -","- C100 H148 Ir4 N4 P4 -","4","1","","Cipot, Judy; Vogels, Christopher M.; McDonald, Robert; Westcott, Stephen A.; Stradiotto, Mark","Catalytic Alkene Hydroboration Mediated by Cationic and Formally Zwitterionic Rhodium(I) and Iridium(I) Derivatives of a P,N-Substituted Indene","Organometallics","2006","25","25","5965","","10.1021/om060742m","","","0.71073","MoKα","","0.0219","0.0193","","","0.0492","0.0505","","","","","","1.037","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074546","14.832","0.002","15.494","0.002","16.371","0.003","73.943","0.002","65.716","0.002","81.208","0.002","3292.2","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 F18 N3 P Se -","- C30 H21 F18 N3 P Se -","- C120 H84 F72 N12 P4 Se4 -","4","2","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.1215","0.0606","","","0.1279","0.1515","","","","","","1","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074547","10.025","0.003","10.598","0.003","10.605","0.003","65.584","0.003","86.104","0.003","75.794","0.003","993.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 N6 P2 Se2 -","- C42 H48 N6 P2 Se2 -","- C42 H48 N6 P2 Se2 -","1","0.5","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0746","0.0563","","","0.106","0.1135","","","","","","1.059","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074548","8.1088","0.0007","11.4874","0.001","28.225","0.003","90","","94.317","0.002","90","","2621.7","0.4","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 N3 P Se -","- C27 H36 N3 P Se -","- C108 H144 N12 P4 Se4 -","4","1","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0496","0.0399","","","0.1059","0.1124","","","","","","1.028","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074549","9.0018","0.0016","13.892","0.003","13.947","0.003","68.85","0.002","85.035","0.002","88.038","0.002","1620.5","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H28 Al3 F12 N2 P Se -","- C24 H28 Al3 F12 N2 P Se -","- C48 H56 Al6 F24 N4 P2 Se2 -","2","1","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0421","0.0366","","","0.0982","0.1013","","","","","","1.063","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074550","13.118","0.002","8.3825","0.0014","28.507","0.005","90","","90.187","0.002","90","","3134.7","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 Al3 N2 P Se -","- C27 H40 Al3 N2 P Se -","- C108 H160 Al12 N8 P4 Se4 -","4","1","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0491","0.0367","","","0.0987","0.1153","","","","","","1.133","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074551","15.679","0.003","10.954","0.002","8.5522","0.0016","90","","90","","90","","1468.8","0.5","173","2","173","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C23 H41 Al4 N2 P Se -","- C23 H41 Al4 N2 P Se -","- C46 H82 Al8 N4 P2 Se2 -","2","0.5","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0645","0.0476","","","0.0919","0.0969","","","","","","1.063","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074552","11.2709","0.0015","11.6947","0.0015","15.652","0.002","68.451","0.001","86.064","0.001","78.921","0.001","1883.1","0.4","446","2","446","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 Al2 F18 N3 P -","- C33 H27 Al2 F18 N3 P -","- C66 H54 Al4 F36 N6 P2 -","2","1","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0685","0.0601","","","0.165","0.1747","","","","","","1.034","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074553","11.8225","0.0013","14.7615","0.0016","33.447","0.004","90","","90","","90","","5837.1","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H39 Al3 N3 P -","- C27 H39 Al3 N3 P -","- C216 H312 Al24 N24 P8 -","8","1","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0555","0.0446","","","0.1079","0.119","","","","","","1.112","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074554","7.941","0.009","9.115","0.012","16.865","0.017","81.037","0.01","88.203","0.01","69.624","0.01","1130","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 N3 O Pt -","- C22 H29 N3 O Pt -","- C44 H58 N6 O2 Pt2 -","2","1","","Halder, Sarmistha; Drew, Michael G. B.; Bhattacharya, Samaresh","Unusual Transformation of Trialkylamines Mediated by Platinum","Organometallics","2006","25","26","5969","","10.1021/om0607494","","","0.71073","MoKα","","0.0444","0.0367","","","0.0761","0.0784","","","","","","1.067","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074555","7.965","0.009","16.941","0.017","17.97","0.02","90","","90","","90","","2425","5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N3 O Pt -","- C24 H33 N3 O Pt -","- C96 H132 N12 O4 Pt4 -","4","1","","Halder, Sarmistha; Drew, Michael G. B.; Bhattacharya, Samaresh","Unusual Transformation of Trialkylamines Mediated by Platinum","Organometallics","2006","25","26","5969","","10.1021/om0607494","","","0.71073","MoKα","","0.1534","0.1037","","","0.1374","0.1529","","","","","","1.168","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074556","14.0726","0.0008","10.7833","0.0007","13.0568","0.0009","90","","110.112","0.004","90","","1860.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Fe2 O -","- C25 H18 Fe2 O -","- C100 H72 Fe8 O4 -","4","1","","Xu, Guo-Lin; Xi, Bin; Updegraff, James B.; Protasiewicz, John D.; Ren, Tong","1,6-Bis(ferrocenyl)-1,3,5-hexatriyne: Novel Preparation and Structural Study","Organometallics","2006","25","22","5213","","10.1021/om0607550","","","0.71073","MoKα","","0.0512","0.0337","","","0.0749","0.0823","","","","","","1.007","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074557","20.853","0.0008","7.4096","0.0002","14.3157","0.0005","90","","103.641","0.003","90","","2149.56","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Br2 Fe2 -","- C26 H18 Br2 Fe2 -","- C104 H72 Br8 Fe8 -","4","0.5","","Xu, Guo-Lin; Xi, Bin; Updegraff, James B.; Protasiewicz, John D.; Ren, Tong","1,6-Bis(ferrocenyl)-1,3,5-hexatriyne: Novel Preparation and Structural Study","Organometallics","2006","25","22","5213","","10.1021/om0607550","","","0.71073","MoKα","","0.0267","0.0222","","","0.0558","0.0576","","","","","","1.013","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074558","7.6034","0.0002","10.9464","0.0003","11.6264","0.0003","90","","101.823","0.001","90","","947.13","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Fe2 -","- C26 H18 Fe2 -","- C52 H36 Fe4 -","2","0.5","","Xu, Guo-Lin; Xi, Bin; Updegraff, James B.; Protasiewicz, John D.; Ren, Tong","1,6-Bis(ferrocenyl)-1,3,5-hexatriyne: Novel Preparation and Structural Study","Organometallics","2006","25","22","5213","","10.1021/om0607550","","","0.71073","MoKα","","0.0207","0.0199","","","0.0561","0.0568","","","","","","1.013","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074559","26.558","0.003","13.5604","0.0014","20.873","0.002","90","","109.646","0.002","90","","7079.6","1.3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H103 N4 Ni2 -","- C77 H103 N4 Ni2 -","- C308 H412 N16 Ni8 -","4","0.5","","Bai, Guangcai; Wei, Pingrong; Das, Anjan; Stephan, Douglas W.","Mono- and Bimetallic (NacNac)Ni Cyclopentadienyl Complexes†","Organometallics","2006","25","25","5870","","10.1021/om060757k","","","0.71073","MoKα","","0.1757","0.0844","","","0.2219","0.2955","","","","","","0.947","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074560","11.0643","0.001","11.9701","0.0011","21.7303","0.0019","90","","90","","90","","2878","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 Cl N3 O2 Rh -","- C27 H32 Cl N3 O2 Rh -","- C108 H128 Cl4 N12 O8 Rh4 -","4","1","","Ito, Jun-ichi; Miyakawa, Takeshi; Nishiyama, Hisao","Carbon−Carbon Bond Formation on a Bis(oxazolinyl)phenyl−Rhodium Complex in a Reduction and Oxidative Addition Sequence","Organometallics","2006","25","22","5216","","10.1021/om0607595","","","0.71073","MoKα","","0.0692","0.0545","","","0.1034","0.108","","","","","","1.029","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074561","10.064","0.004","11.05","0.004","23.182","0.009","90","","100.009","0.009","90","","2538.8","1.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 Cl N2 O5 Rh -","- C23 H34 Cl N2 O5 Rh -","- C92 H136 Cl4 N8 O20 Rh4 -","4","1","","Ito, Jun-ichi; Miyakawa, Takeshi; Nishiyama, Hisao","Carbon−Carbon Bond Formation on a Bis(oxazolinyl)phenyl−Rhodium Complex in a Reduction and Oxidative Addition Sequence","Organometallics","2006","25","22","5216","","10.1021/om0607595","","","0.71073","MoKα","","0.0475","0.0386","","","0.0895","0.0935","","","","","","1.081","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074562","14.195","0.009","14.417","0.008","17.929","0.011","90","","113.21","0.008","90","","3372","4","193","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Ir2 N2 O4 S2 -","- C34 H44 Ir2 N2 O4 S2 -","- C136 H176 Ir8 N8 O16 S8 -","4","1","","Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","A Sulfonylimido-Bridged Coordinatively Unsaturated Diiridium Complex: Intramolecular C−H Bond Activation Promoted by a Weak Acid","Organometallics","2006","25","25","5847","","10.1021/om060777m","","","0.7107","MoKα","","","0.04","","","","0.105","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074563","15.028","0.003","15.56","0.003","18.069","0.003","69.227","0.005","86.128","0.007","83.76","0.007","3925.2","1.3","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H45 F3 Ir2 N2 O7 S3 -","- C35 H45 F3 Ir2 N2 O7 S3 -","- C140 H180 F12 Ir8 N8 O28 S12 -","4","2","","Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","A Sulfonylimido-Bridged Coordinatively Unsaturated Diiridium Complex: Intramolecular C−H Bond Activation Promoted by a Weak Acid","Organometallics","2006","25","25","5847","","10.1021/om060777m","","","0.7107","MoKα","","","0.043","","","","0.119","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074564","11.4072","0.0003","11.7698","0.0003","23.2188","0.0005","90","","90","","90","","3117.37","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 F6 N3 Pd S Sb -","- C30 H32 F6 N3 Pd S Sb -","- C120 H128 F24 N12 Pd4 S4 Sb4 -","4","1","","Ros, Abel; Monge, David; Alcarazo, Manuel; Álvarez, Eleuterio; Lassaletta, José M.; Fernández, Rosario","Synthesis, Structure, and Applications ofN-Dialkylamino-N‘-alkylimidazol-2-ylidenes as a New Type of NHC Ligands§","Organometallics","2006","25","26","6039","","10.1021/om060788f","","","0.71073","MoKα","","0.0142","0.0137","","","0.035","0.0352","","","","","","1.102","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074565","8.512","0.005","15.229","0.005","18.541","0.005","90","","90","","90","","2403.5","1.7","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 Eu O -","- C24 H40 Eu O -","- C96 H160 Eu4 O4 -","4","1","","Moore, Jennifer A.; Cowley, Alan H.; Gordon, John C.","Mediating Oxidation States in Decamethyleuropocene Complexes. The Role of the Diazabutadiene Fragment","Organometallics","2006","25","22","5207","","10.1021/om060793j","","","0.71073","MoKα","","0.078","0.0489","","","0.1024","0.1134","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074566","16.841","0.005","22.372","0.005","15.725","0.005","90","","90","","90","","5925","3","153","2","153","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H50 Eu N2 -","- C30 H50 Eu N2 -","- C240 H400 Eu8 N16 -","8","1","","Moore, Jennifer A.; Cowley, Alan H.; Gordon, John C.","Mediating Oxidation States in Decamethyleuropocene Complexes. The Role of the Diazabutadiene Fragment","Organometallics","2006","25","22","5207","","10.1021/om060793j","","","0.71069","MoKα","","0.0742","0.0367","","","0.0782","0.0938","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074567","36.315","0.005","9.444","0.005","22.422","0.005","90","","107.777","0.005","90","","7323","4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H80 Eu2 F20 N4 -","- C72 H72 Eu2 F20 N4 -","- C288 H288 Eu8 F80 N16 -","4","0.5","","Moore, Jennifer A.; Cowley, Alan H.; Gordon, John C.","Mediating Oxidation States in Decamethyleuropocene Complexes. The Role of the Diazabutadiene Fragment","Organometallics","2006","25","22","5207","","10.1021/om060793j","","","0.71069","MoKα","","0.0654","0.0426","","","0.1159","0.1279","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074568","14.92","0.003","15.693","0.004","16.648","0.004","73.82","0.03","87.06","0.03","62.93","0.03","3320.4","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H100 Al2 Cl2 O4 S2 Zr -","- C63 H100 Al2 Cl2 O4 S2 Zr -","- C126 H200 Al4 Cl4 O8 S4 Zr2 -","2","1","","Wiśniewska, Dorota; Janas, Zofia; Sobota, Piotr; Jerzykiewicz, Lucjan B.","Dimethyl Group IV Metal Complexes of the OSO-Type Ligand Bearing AlMe2Moieties","Organometallics","2006","25","26","6166","","10.1021/om0608051","","","0.71073","MoKα","","0.1308","0.0727","","","0.1241","0.1409","","","","","","1.091","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074569","14.908","0.006","15.667","0.006","16.645","0.006","74.06","0.09","86.71","0.09","62.8","0.09","3314","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H100 Al2 Cl2 Hf O4 S2 -","- C63 H100 Al2 Cl2 Hf O4 S2 -","- C126 H200 Al4 Cl4 Hf2 O8 S4 -","2","1","","Wiśniewska, Dorota; Janas, Zofia; Sobota, Piotr; Jerzykiewicz, Lucjan B.","Dimethyl Group IV Metal Complexes of the OSO-Type Ligand Bearing AlMe2Moieties","Organometallics","2006","25","26","6166","","10.1021/om0608051","","","0.71073","MoKα","","0.1009","0.0681","","","0.1466","0.1577","","","","","","1.027","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074570","13.647","0.003","7.1668","0.0015","18.496","0.004","90","","110.722","0.004","90","","1692","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H25 B9 N2 O Ti -","- C8 H25 B9 N2 O Ti -","- C32 H100 B36 N8 O4 Ti4 -","4","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Guanylation of Amines Catalyzed by a Half-Sandwich Titanacarborane Amide Complex","Organometallics","2006","25","23","5515","","10.1021/om060811x","","","0.71073","MoKα","","0.0523","0.0415","","","0.1057","0.1157","","","","","","0.934","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074571","9.799","0.002","11.521","0.002","14.453","0.003","100.07","0.03","105.59","0.03","104.93","0.03","1465.4","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H47 B9 N4 O Ti -","- C21 H47 B9 N4 O Ti -","- C42 H94 B18 N8 O2 Ti2 -","2","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Guanylation of Amines Catalyzed by a Half-Sandwich Titanacarborane Amide Complex","Organometallics","2006","25","23","5515","","10.1021/om060811x","","","0.71073","MoKα","","0.0489","0.0474","","","0.1442","0.1468","","","","","","1.067","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074572","16.411","0.008","10.432","0.004","14.034","0.007","90","","122.141","0.016","90","","2034.4","1.7","298.1","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C23 H32 Fe -","- C23 H32 Fe -","- C92 H128 Fe4 -","4","1","","Ogasawara, Masamichi; Watanabe, Susumu; Fan, Liyan; Nakajima, Kiyohiko; Takahashi, Tamotsu","Kinetic Resolution of Planar-Chiral Ferrocenes by Molybdenum-Catalyzed Enantioselective Metathesis","Organometallics","2006","25","22","5201","","10.1021/om0608298","","","0.71075","MoKα","","","0.0486","","","","0.167","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074573","9.94","0.001","11.8053","0.0012","21.397","0.002","90","","90","","90","","2510.8","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 F23 O3 P2 Pt S -","- C11 H6 F23 O3 P2 Pt S -","- C44 H24 F92 O12 P8 Pt4 S4 -","4","1","","Butikofer, Jeffrey L.; Parson, Thomas G.; Roddick, Dean M.","Adduct Studies and Reactivity oftrans-[(C2F5)2MeP]2Pt(Me)X (X = O2CCF3, OTF, OSO2F)","Organometallics","2006","25","26","6108","","10.1021/om060847p","","","0.71073","MoKα","","0.0301","0.0289","","","0.0687","0.069","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074574","18.5682","0.0006","10.8947","0.0004","19.3594","0.0008","90","","97.332","0.001","90","","3884.3","0.2","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C44 H40 N4 P2 Ru S2 -","- C44 H40 N4 P2 Ru S2 -","- C176 H160 N16 P8 Ru4 S8 -","4","1","","Dewhurst, Rian D.; Hansen, Andrew R.; Hill, Anthony F.; Smith, Matthew K.","Templated Synthesis and Intact Coordination of a Diorganotriselenane: [RuCl2(PPh3){κ3-Se,N,N‘-Se(mtSe)2}] (mtSe= selenomethimazolyl)","Organometallics","2006","25","25","5843","","10.1021/om0608511","","","0.71073","MoKα","","0.066","0.0423","","","0.0993","0.1117","","","","","","1.011","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074575","11.579","0.002","17.835","0.004","17.212","0.003","90","","101.3","0.03","90","","3485.6","1.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Cl6 N4 P Ru Se3 -","- C28 H29 Cl6 N4 P Ru Se3 -","- C112 H116 Cl24 N16 P4 Ru4 Se12 -","4","1","","Dewhurst, Rian D.; Hansen, Andrew R.; Hill, Anthony F.; Smith, Matthew K.","Templated Synthesis and Intact Coordination of a Diorganotriselenane: [RuCl2(PPh3){κ3-Se,N,N‘-Se(mtSe)2}] (mtSe= selenomethimazolyl)","Organometallics","2006","25","25","5843","","10.1021/om0608511","","","0.71073","MoKα","","0.0644","0.0494","","","0.1379","0.1587","","","","","","0.869","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074576","16.48","0.008","8.143","0.004","16.836","0.008","90","","111.954","0.007","90","","2095.5","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Cl Ir N2 -","- C23 H28 Cl Ir N2 -","- C92 H112 Cl4 Ir4 N8 -","4","1","","Davies, David L.; Donald, Steven M. A.; Al-Duaij, Omar; Fawcett, John; Little, Craig; Macgregor, Stuart A.","N−H versus C−H Activation of a Pyrrole Imine at {Cp*Ir}: A Computational and Experimental Study","Organometallics","2006","25","26","5976","","10.1021/om060863m","","","0.71073","MoKα","","0.0321","0.0296","","","0.0659","0.067","","","","","","1.026","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4074577","37.618","0.004","8.1812","0.0009","15.3211","0.0017","90","","112.402","0.002","90","","4359.4","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Cl Ir N2 -","- C24 H30 Cl Ir N2 -","- C192 H240 Cl8 Ir8 N16 -","8","1","","Davies, David L.; Donald, Steven M. A.; Al-Duaij, Omar; Fawcett, John; Little, Craig; Macgregor, Stuart A.","N−H versus C−H Activation of a Pyrrole Imine at {Cp*Ir}: A Computational and Experimental Study","Organometallics","2006","25","26","5976","","10.1021/om060863m","","","0.71073","MoKα","","0.0373","0.0323","","","0.0741","0.0762","","","","","","1.013","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4074578","8.6825","0.0005","11.6053","0.0007","17.119","0.001","90","","90","","90","","1724.96","0.18","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 Cl2 N Ru S2 -","- C13 H21 Cl2 N Ru S2 -","- C52 H84 Cl8 N4 Ru4 S8 -","4","1","","Kuan, Seah Ling; Tay, Elaine Phuay Leng; Leong, Weng Kee; Goh, Lai Yoong; Lin, Ching Yeh; Gill, Peter M. W.; Webster, Richard D.","Highly Oxidized Ruthenium Organometallic Compounds. The Synthesis and One-Electron Electrochemical Oxidation of [Cp*RuIVCl2(S2CR)] (Cp* = η5-C5Me5, R = NMe2, NEt2, OiPr)","Organometallics","2006","25","26","6134","","10.1021/om060866z","","","0.71073","MoKα","","0.0631","0.0444","","","0.0688","0.0734","","","","","","0.869","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074579","9.3012","0.0004","12.2982","0.0005","28.5968","0.0013","90","","90","","90","","3271.1","0.2","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 F12 N5 P2 Ru S2 -","- C21 H33 F12 N5 P2 Ru S2 -","- C84 H132 F48 N20 P8 Ru4 S8 -","4","1","","Kuan, Seah Ling; Tay, Elaine Phuay Leng; Leong, Weng Kee; Goh, Lai Yoong; Lin, Ching Yeh; Gill, Peter M. W.; Webster, Richard D.","Highly Oxidized Ruthenium Organometallic Compounds. The Synthesis and One-Electron Electrochemical Oxidation of [Cp*RuIVCl2(S2CR)] (Cp* = η5-C5Me5, R = NMe2, NEt2, OiPr)","Organometallics","2006","25","26","6134","","10.1021/om060866z","","","0.71073","MoKα","","0.0589","0.052","","","0.1153","0.1186","","","","","","1.097","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074580","8.2628","0.0005","11.0759","0.0007","26.4815","0.0016","90","","96.586","0.001","90","","2407.5","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 Cl7 N Ru S2 Sb -","- C13 H21 Cl7 N Ru S2 Sb -","- C52 H84 Cl28 N4 Ru4 S8 Sb4 -","4","1","","Kuan, Seah Ling; Tay, Elaine Phuay Leng; Leong, Weng Kee; Goh, Lai Yoong; Lin, Ching Yeh; Gill, Peter M. W.; Webster, Richard D.","Highly Oxidized Ruthenium Organometallic Compounds. The Synthesis and One-Electron Electrochemical Oxidation of [Cp*RuIVCl2(S2CR)] (Cp* = η5-C5Me5, R = NMe2, NEt2, OiPr)","Organometallics","2006","25","26","6134","","10.1021/om060866z","","","0.71073","MoKα","","0.0969","0.0893","","","0.1903","0.194","","","","","","1.315","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074581","11.4245","0.0004","16.9079","0.0005","13.866","0.0003","90","","92.431","0.002","90","","2676.01","0.14","150.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","complex 2a","complex 2a","","- C30 H36 Fe N2 O Si -","- C30 H36 Fe N2 O Si -","- C120 H144 Fe4 N8 O4 Si4 -","4","1","","Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi","Insertion of Pyridine into an Iron−Silicon Bond and Photochemical Conversion of the Insertion Product Cp*(OC)Fe{η3(C,C,C)-C5H5NSiMe2NPh2} to a Sandwich Compound","Organometallics","2006","25","26","6115","","10.1021/om060873n","","x-ray","0.7107","MoKα","","","0.033","","","","0.1193","","","","","","0.988","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074582","17.1694","0.0006","9.0939","0.0004","18.5947","0.0006","90","","109.099","0.002","90","","2743.5","0.18","150.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","complex 3a","complex 3a","","- C30 H36 Fe N2 O Si -","- C30 H36 Fe N2 O Si -","- C120 H144 Fe4 N8 O4 Si4 -","4","1","","Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi","Insertion of Pyridine into an Iron−Silicon Bond and Photochemical Conversion of the Insertion Product Cp*(OC)Fe{η3(C,C,C)-C5H5NSiMe2NPh2} to a Sandwich Compound","Organometallics","2006","25","26","6115","","10.1021/om060873n","","x-ray","0.7107","MoKα","","","0.0515","","","","0.132","","","","","","1.412","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074583","40.598","0.001","8.7016","0.0001","15.1845","0.0002","90","","107.912","0.002","90","","5104.19","0.16","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","complex4j","complex4j","","- C27 H35 N O Ru Si -","- C27 H34 N O Ru Si -","- C216 H272 N8 O8 Ru8 Si8 -","8","1","","Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi","Insertion of Pyridine into an Iron−Silicon Bond and Photochemical Conversion of the Insertion Product Cp*(OC)Fe{η3(C,C,C)-C5H5NSiMe2NPh2} to a Sandwich Compound","Organometallics","2006","25","26","6115","","10.1021/om060873n","","x-ray","0.71069","MoKα","","0.0802","0.062","","","0.1702","0.1983","","","","","","1.134","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074584","16.1381","0.0004","10.0021","0.0004","16.4567","0.0007","90","","100.529","0.001","90","","2611.63","0.17","150.2","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","complex 5a","complex 5a","","- C29 H36 Fe N2 Si -","- C29 H36 Fe N2 Si -","- C116 H144 Fe4 N8 Si4 -","4","1","","Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi","Insertion of Pyridine into an Iron−Silicon Bond and Photochemical Conversion of the Insertion Product Cp*(OC)Fe{η3(C,C,C)-C5H5NSiMe2NPh2} to a Sandwich Compound","Organometallics","2006","25","26","6115","","10.1021/om060873n","","x-ray","0.7107","MoKα","","","0.0333","","","","0.1213","","","","","","1.023","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074585","8.0597","0.0004","13.7541","0.0006","12.0198","0.0005","90","","105.76","0.001","90","","1282.35","0.1","218","2","218","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H41 N4 P2 Pt -","- C22 H41 N4 P2 Pt -","- C44 H82 N8 P4 Pt2 -","2","1","","Grotjahn, Douglas B.; Gong, Yi; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Bifunctional Imidazolylphosphine Ligands as Hydrogen Bond Donors Promote N−H and O−H Activation on Platinum","Organometallics","2006","25","24","5693","","10.1021/om060880b","","","0.71073","MoKα","","0.0202","0.0196","","","0.0461","0.0463","","","","","","0.819","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074586","15.938","0.002","11.065","0.0015","16.233","0.002","90","","110.883","0.002","90","","2674.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H44 N4 O P2 Pt -","- C22 H44 N4 O P2 Pt -","- C88 H176 N16 O4 P8 Pt4 -","4","2","","Grotjahn, Douglas B.; Gong, Yi; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Bifunctional Imidazolylphosphine Ligands as Hydrogen Bond Donors Promote N−H and O−H Activation on Platinum","Organometallics","2006","25","24","5693","","10.1021/om060880b","","","0.71073","MoKα","","0.0273","0.0245","","","0.0531","0.0547","","","","","","0.836","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074587","12.698","0.004","13.177","0.005","19.064","0.006","90.973","0.007","93.076","0.007","95.273","0.006","3171","1.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H38 B F24 N5 Pt -","- C62 H38 B F24 N5 Pt -","- C124 H76 B2 F48 N10 Pt2 -","2","1","","Zhao, Shu-Bin; Wu, Gang; Wang, Suning","Impact of Steric Blocking on Diastereoselective C−H Activation of Ethylbenzene by Cationic Platinum(II) Complexes with 7-Azaindolyl Derivative Ligands","Organometallics","2006","25","26","5979","","10.1021/om0608861","","","0.71073","MoKα","","0.251","0.0761","","","0.1392","0.1897","","","","","","0.916","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074588","12.4783","0.0012","13.0894","0.0012","18.1842","0.0018","79.26","0.002","76.753","0.002","86.854","0.002","2840.2","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H36 B F24 N5 Pt -","- C57 H31 B F24 N5 Pt -","- C114 H62 B2 F48 N10 Pt2 -","2","1","","Zhao, Shu-Bin; Wu, Gang; Wang, Suning","Impact of Steric Blocking on Diastereoselective C−H Activation of Ethylbenzene by Cationic Platinum(II) Complexes with 7-Azaindolyl Derivative Ligands","Organometallics","2006","25","26","5979","","10.1021/om0608861","","","0.71073","MoKα","","0.1795","0.0959","","","0.2318","0.2668","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074589","16.442","0.0017","18.7653","0.0019","21.65","0.002","65.647","0.002","85.831","0.002","89.751","0.002","6067","1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H40 B F24 N4 Pt -","- C60 H35 B F24 N4 Pt -","- C240 H140 B4 F96 N16 Pt4 -","4","2","","Zhao, Shu-Bin; Wu, Gang; Wang, Suning","Impact of Steric Blocking on Diastereoselective C−H Activation of Ethylbenzene by Cationic Platinum(II) Complexes with 7-Azaindolyl Derivative Ligands","Organometallics","2006","25","26","5979","","10.1021/om0608861","","","0.71073","MoKα","","0.2342","0.077","","","0.137","0.1612","","","","","","0.718","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074590","13.773","0.003","20.799","0.005","17.532","0.005","90","","103.832","0.005","90","","4877","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H62 B Cl O P Rh S -","- C54 H62 B Cl O P Rh S -","- C216 H248 B4 Cl4 O4 P4 Rh4 S4 -","4","1","","Oakley, Simon R.; Parker, Kyle D.; Emslie, David J. H.; Vargas-Baca, Ignacio; Robertson, Craig M.; Harrington, Laura E.; Britten, James F.","Synthesis of a Heterobimetallic Rhodium−Iron Complex Containing an η3-Interaction between Rhodium and the B−Cipso−CorthoUnit of a Triarylborane","Organometallics","2006","25","25","5835","","10.1021/om060903m","","","0.71073","MoKα","","0.0536","0.0379","","","0.1005","0.119","","","","","","1.116","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074591","13.9568","0.0009","13.7903","0.001","27.7139","0.0018","90","","97.354","0.004","90","","5290.2","0.6","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C61.51 H53 B Fe O3 P Rh S -","- C61.5 H53 B Fe O3 P Rh S -","- C246 H212 B4 Fe4 O12 P4 Rh4 S4 -","4","1","","Oakley, Simon R.; Parker, Kyle D.; Emslie, David J. H.; Vargas-Baca, Ignacio; Robertson, Craig M.; Harrington, Laura E.; Britten, James F.","Synthesis of a Heterobimetallic Rhodium−Iron Complex Containing an η3-Interaction between Rhodium and the B−Cipso−CorthoUnit of a Triarylborane","Organometallics","2006","25","25","5835","","10.1021/om060903m","","","0.71073","MoKα","","0.2724","0.0924","","","0.1883","0.2801","","","","","","1.004","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074592","10.809","0.0002","18.543","0.0007","22.735","0.0008","90","","97.814","0.0002","90","","4514.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-disilabenzene dianion","","- C38 H78 Li2 O2 Si4 -","- C38 H78 Li2 O2 Si4 -","- C152 H312 Li8 O8 Si16 -","4","1","","Nakata, Norio; Oikawa, Toru; Matsumoto, Takeshi; Kabe, Yoshio; Sekiguchi, Akira","Dilithium 1,4-Disilacyclohexa-2,5-diene-1,4-diide by the Reduction of 1,4-Disilabicyclo[2.2.0]hexa-2,5-diene: Synthesis and Characterization","Organometallics","2006","25","25","5850","","10.1021/om0609261","","","0.7107","MoKα","","0.0539","0.0499","","","0.1343","0.1382","","","","","","1.06","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074593","13.877","0.01","20.404","0.01","7.706","0.005","90","","116.153","0.014","90","","1959","2","233","2","233","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H11 B F10 -","- C21 H11 B F10 -","- C84 H44 B4 F40 -","4","1","","Cummings, Sarah A.; Iimura, Masanori; Harlan, C. Jeff; Kwaan, Rebecca J.; Trieu, Isabelle Vu; Norton, Jack R.; Bridgewater, Brian M.; Jäkle, Frieder; Sundararaman, Anand; Tilset, Mats","An Estimate of the Reduction Potential of B(C6F5)3from Electrochemical Measurements on Related Mesityl Boranes","Organometallics","2006","25","7","1565","","10.1021/om050003q","","","0.71073","MoKα","","0.0423","0.0393","","","0.1089","0.1117","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074594","10.6441","0.0007","10.6441","0.0007","18.9672","0.0019","90","","90","","90","","2148.9","0.3","173","2","173","2","","","","","","","","5","P 43","P 4cw","78","","","","- C19 H31 Cl P2 Pt -","- C19 H31 Cl P2 Pt -","- C76 H124 Cl4 P8 Pt4 -","4","1","","Scriban, Corina; Wicht, Denyce K.; Glueck, David S.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.","Platinum(II) Phosphido Complexes as Metalloligands. Structural and Spectroscopic Consequences of Conversion from Terminal to Bridging Coordination","Organometallics","2006","25","14","3370","","10.1021/om050149p","","","0.71073","MoKα","","0.0819","0.0804","","","0.1925","0.1935","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074595","9.7296","0.0006","15.4985","0.0009","19.1019","0.0012","90","","90","","90","","2880.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 P3 Pt -","- C29 H42 P3 Pt -","- C116 H168 P12 Pt4 -","4","1","","Scriban, Corina; Wicht, Denyce K.; Glueck, David S.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.","Platinum(II) Phosphido Complexes as Metalloligands. Structural and Spectroscopic Consequences of Conversion from Terminal to Bridging Coordination","Organometallics","2006","25","14","3370","","10.1021/om050149p","","","0.71073","MoKα","","0.0875","0.0607","","","0.1455","0.1552","","","","","","1.002","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074596","13.001","0.006","13.676","0.007","18.526","0.009","82.144","0.007","71.255","0.007","61.738","0.006","2747","2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C51 H80 F3 O3.5 P5 Pt2 S -","- C51 H80 F3 O3.5 P5 Pt2 S -","- C102 H160 F6 O7 P10 Pt4 S2 -","2","2","","Scriban, Corina; Wicht, Denyce K.; Glueck, David S.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.","Platinum(II) Phosphido Complexes as Metalloligands. Structural and Spectroscopic Consequences of Conversion from Terminal to Bridging Coordination","Organometallics","2006","25","14","3370","","10.1021/om050149p","","","0.71073","MoKα","","0.0778","0.063","","","0.1462","0.1526","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074597","9.446","0.002","14.982","0.003","25.135","0.006","90","","97.384","0.004","90","","3527.6","1.3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H43 O2 P3 Pt -","- C37 H43 O2 P3 Pt -","- C148 H172 O8 P12 Pt4 -","4","1","","Scriban, Corina; Wicht, Denyce K.; Glueck, David S.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.","Platinum(II) Phosphido Complexes as Metalloligands. Structural and Spectroscopic Consequences of Conversion from Terminal to Bridging Coordination","Organometallics","2006","25","14","3370","","10.1021/om050149p","","","0.71073","MoKα","","0.0436","0.0337","","","0.085","0.0899","","","","","","1.001","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074598","10.2921","0.0006","18.1227","0.0011","13.8423","0.0008","90","","103.385","0.001","90","","2511.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 Mo N3 Si2 -","- C22 H35 Mo N3 Si2 -","- C88 H140 Mo4 N12 Si8 -","4","1","","Ison, Elon A.; Abboud, Khalil A.; Boncella, James M.","Synthesis and Reactivity of Molybdenum Imido Diamido Metallacyclopentenes and Metallacyclopentadienes and the Mechanism of Ethylene Exchange with Metallacyclopentane Complexes","Organometallics","2006","25","7","1557","","10.1021/om050280x","","","0.71073","MoKα","","0.0384","0.0307","","","0.0733","0.0767","","","","","","1.054","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074599","11.2646","0.0005","9.7968","0.0004","25.675","0.001","90","","92.659","0.001","90","","2830.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 Mo N3 Si2 -","- C28 H37 Mo N3 Si2 -","- C112 H148 Mo4 N12 Si8 -","4","1","","Ison, Elon A.; Abboud, Khalil A.; Boncella, James M.","Synthesis and Reactivity of Molybdenum Imido Diamido Metallacyclopentenes and Metallacyclopentadienes and the Mechanism of Ethylene Exchange with Metallacyclopentane Complexes","Organometallics","2006","25","7","1557","","10.1021/om050280x","","","0.71073","MoKα","","0.0361","0.0303","","","0.0723","0.0766","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074600","25.544","0.001","18.742","0.0008","27.641","0.001","90","","90","","90","","13233","0.9","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H39 Mo N3 Si2 -","- C34 H39 Mo N3 Si2 -","- C544 H624 Mo16 N48 Si32 -","16","2","","Ison, Elon A.; Abboud, Khalil A.; Boncella, James M.","Synthesis and Reactivity of Molybdenum Imido Diamido Metallacyclopentenes and Metallacyclopentadienes and the Mechanism of Ethylene Exchange with Metallacyclopentane Complexes","Organometallics","2006","25","7","1557","","10.1021/om050280x","","","0.71073","MoKα","","0.0681","0.0355","","","0.0687","0.0836","","","","","","1.076","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074601","16.7957","0.0013","7.112","0.0005","12.4481","0.0009","90","","109.797","0.002","90","","1399.06","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl3 P Ti -","- C12 H12 Cl3 P Ti -","- C48 H48 Cl12 P4 Ti4 -","4","1","","Ahn, Yi Joon; Rubio, Ramel J.; Hollis, T. Keith; Tham, Fook S.; Donnadieu, Bruno","Slip‒Inversion‒Slip Mechanism of Phosphametallocene Isomerization. Spectroscopic Characterization of an (η1-Phospholyl)titanium Complex. Synthesis and Structures of Chiral Mono(phospholyl)titanium Complexes","Organometallics","2006","25","5","1079","1083","10.1021/om050357h","","","0.71073","MoKα","","0.0307","0.027","","","0.0729","0.075","","","","","","1.032","","","","has coordinates","209812","2020-10-21","18:00:00",""
"4074602","6.7877","0.0009","6.9647","0.0009","12.9311","0.0017","102.39","0.002","92.824","0.002","109.062","0.002","559.6","0.13","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Cl3 P Ti -","- C8 H10 Cl3 P Ti -","- C16 H20 Cl6 P2 Ti2 -","2","1","","Ahn, Yi Joon; Rubio, Ramel J.; Hollis, T. Keith; Tham, Fook S.; Donnadieu, Bruno","Slip‒Inversion‒Slip Mechanism of Phosphametallocene Isomerization. Spectroscopic Characterization of an (η1-Phospholyl)titanium Complex. Synthesis and Structures of Chiral Mono(phospholyl)titanium Complexes","Organometallics","2006","25","5","1079","1083","10.1021/om050357h","","","0.71073","MoKα","","0.0296","0.0281","","","0.0768","0.0783","","","","","","1.019","","","","has coordinates","209812","2020-10-21","18:00:00",""
"4074603","6.1801","0.0003","11.281","0.0008","19.654","0.002","90","","90","","90","","1370.23","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 O4 S -","- C11 H22 O4 S -","- C44 H88 O16 S4 -","4","1","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0762","0.0496","","","0.0973","0.1054","","","","","","1.092","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4074604","9.71","0.001","12.271","0.001","19.457","0.002","90","","90","","90","","2318.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 B P -","- C24 H40 B P -","- C96 H160 B4 P4 -","4","1","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0934","0.054","","","0.0966","0.1093","","","","","","0.99","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074605","6.414","0.001","12.288","0.003","29.44","0.006","90","","90","","90","","2320.3","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 B P -","- C26 H32 B P -","- C104 H128 B4 P4 -","4","1","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0888","0.0582","","","0.1078","0.1167","","","","","","1.085","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074606","9.3472","0.0007","13.2935","0.0007","12.8177","0.0007","90","","98.811","0.005","90","","1573.89","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H44 Cl F6 N P2 Ru -","- C30 H44 Cl F6 N P2 Ru -","- C60 H88 Cl2 F12 N2 P4 Ru2 -","2","1","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0514","0.0334","","","0.0621","0.0669","","","","","","0.895","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074607","10.3198","0.0008","20.126","0.002","13.0266","0.0004","90","","93.332","0.004","90","","2701","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H36 Cl F6 N P2 Ru -","- C24 H36 Cl F6 N P2 Ru -","- C96 H144 Cl4 F24 N4 P8 Ru4 -","4","2","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0536","0.0353","","","0.0659","0.0711","","","","","","0.859","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074608","19.012","0.002","10.631","0.001","31.003","0.003","90","","97.201","0.008","90","","6216.8","1.1","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26.5 H41 Cl2 F6 N P2 Ru -","- C26.5 H41 Cl2 F6 N P2 Ru -","- C212 H328 Cl16 F48 N8 P16 Ru8 -","8","2","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0674","0.0422","","","0.0792","0.0856","","","","","","0.937","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074609","10.5083","0.0006","11.2424","0.0007","18.3603","0.001","93.964","0.001","92.994","0.001","115.085","0.001","1951.8","0.2","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H43.5 Cl Cr N O4 P2 -","- C44 H43.5 Cl1.5 Cr N O4 P2 -","- C88 H87 Cl3 Cr2 N2 O8 P4 -","2","1","","Schofer, Susan J.; Day, Michael W.; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","Ethylene Trimerization Catalysts Based on Chromium Complexes with a Nitrogen-Bridged Diphosphine Ligand Havingortho-Methoxyaryl orortho-Thiomethoxy Substituents: Well-Defined Catalyst Precursors and Investigations of the Mechanism","Organometallics","2006","25","11","2743","","10.1021/om0506062","","","0.71073","MoKα","","0.0836","0.0509","","","0.0985","0.103","","","","","","1.472","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074610","42.5886","0.0004","15.4091","0.0003","21.9684","0.0003","90","","107.045","0.001","90","","13783.5","0.4","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C64 H66 Ag Cl4 F6 P4 Pt Sb -","- C64 H57 Ag Cl4 F6 P4 Pt Sb -","- C512 H456 Ag8 Cl32 F48 P32 Pt8 Sb8 -","8","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.1075","0.063","","","0.1514","0.189","","","","","","1.128","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074611","10.6906","0.0002","25.2092","0.0005","23.8996","0.0003","90","","100.097","0.001","90","","6341.22","0.19","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67.5 H57 Cl4 Cu O4 P4 Pt -","- C67.5 H57 Cl4 Cu O4 P4 Pt -","- C270 H228 Cl16 Cu4 O16 P16 Pt4 -","4","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.0974","0.0574","","","0.1333","0.1653","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074612","14.3979","0.0002","14.182","","17.561","0.0003","90","","109.723","0.001","90","","3375.44","0.08","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Cl Cu N O4 P2 Pt0.5 -","- C35 H30 Cl Cu N O4 P2 Pt0.5 -","- C140 H120 Cl4 Cu4 N4 O16 P8 Pt2 -","4","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.1115","0.0734","","","0.1594","0.1831","","","","","","1.227","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074613","10.676","0.0002","25.495","0.0005","24.5754","0.0001","90","","101.592","0.001","90","","6552.61","0.18","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H62 Cl5 Cu O4 P4 Pt -","- C70 H62 Cl5 Cu O4.003 P4 Pt -","- C280 H248 Cl20 Cu4 O16.012 P16 Pt4 -","4","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.095","0.0746","","","0.1719","0.1924","","","","","","1.294","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074614","19.752","0.004","15.376","0.003","21.19","0.005","90","","97.952","0.002","90","","6374","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H60 Cl3 Cu N0 O6 P4 Pt -","- C68.987 H48 Cl3 Cu O5.997 P4 Pt -","- C275.948 H192 Cl12 Cu4 O23.988 P16 Pt4 -","4","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.0579","0.0495","","","0.129","0.1342","","","","","","1.097","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4074615","22.7865","0.0002","22.7865","0.0002","67.5519","0.0001","90","","90","","120","","30375.5","0.4","293","2","293","2","","","","","","","","10","R 3 c :H","R 3 -2""c","161","","","","- C62 H64.33 Cl0.67 Cu F2 N0 O3.83 P4 Pt Sb0.33 -","- C62 H62 Cl0.666667 Cu F2 O3.83333 P4 Pt Sb0.333333 -","- C1116 H1116 Cl12 Cu18 F36 O69 P72 Pt18 Sb6 -","18","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.0804","0.0596","","","0.1539","0.1778","","","","","","1.137","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074616","11.289","0.0002","14.7199","0.0003","20.5532","0.0004","81.33","","79.603","0.001","71.9","0.001","3176.66","0.11","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C66.5 H56 Au Cl F6 N0 O0 P4 Pt Sb -","- C66.5 H53 Au Cl F6 P4 Pt Sb -","- C133 H106 Au2 Cl2 F12 P8 Pt2 Sb2 -","2","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.1096","0.0864","","","0.1966","0.2156","","","","","","1.232","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4074617","14.9699","0.0004","15.0645","0.0004","18.2548","0.0004","90","","104.526","0.001","90","","3985.12","0.17","293","2","293","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Cl2 Cu F6 N P2 Pt0.5 Sb Si -","- C33 H34 Cl2 Cu F6 N P2 Pt0.5 Sb Si -","- C132 H136 Cl8 Cu4 F24 N4 P8 Pt2 Sb4 Si4 -","4","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.1001","0.0701","","","0.1701","0.1962","","","","","","1.167","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074618","38.3167","0.0001","20.9887","0.0002","29.0955","0.0002","90","","129.498","0.001","90","","18055.9","0.3","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C76 H79 Ag1.5 Cl2 F9 O3 P4 Pt Sb1.5 -","- C76 H72 Ag1.5 Cl2 F9 O3 P4 Pt Sb1.5 -","- C608 H576 Ag12 Cl16 F72 O24 P32 Pt8 Sb12 -","8","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.1482","0.079","","","0.1947","0.2535","","","","","","1.165","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074619","16.8549","0.0016","37.45","0.004","8.5661","0.0008","90","","90","","90","","5407.1","0.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H36 N2 O Zr -","- C30 H36 N2 O Zr -","- C240 H288 N16 O8 Zr8 -","8","1","","Liu, Yuanhong; Yan, Bin","Direct Reaction of Aroyl Cyanides with Azazirconacyclopentadienes: Synthesis and Structural Characterization of Stabilized Azazirconacyclopentenes","Organometallics","2006","25","2","544","","10.1021/om0506264","","","0.71073","MoKα","","0.1022","0.0463","","","0.1075","0.145","","","","","","0.829","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074620","11.1757","0.0007","12.5388","0.0008","24.6761","0.0016","90","","95.486","0.001","90","","3442","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound 1","(Tp^Me2^)Ir(CH~2~-C(Me)=C(Me)-CH~2~)(=C=C(SiMe~3~)~2~)","","- C29 H50 B Ir N6 Si2 -","- C29 H50 B Ir N6 Si2 -","- C116 H200 B4 Ir4 N24 Si8 -","4","1","","Ilg, Kerstin; Paneque, Margarita; Poveda, Manuel L.; Rendón, Nuria; Santos, Laura L.; Carmona, Ernesto; Mereiter, Kurt","Vinylidene Compounds from the Reactions of Me3SiC⋮CSiMe3with TpMe2Ir Precursors. Protonation to Alkylidene and Iridabenzene Structures","Organometallics","2006","25","9","2230","","10.1021/om050634k","","","0.71073","MoKα","","0.0387","0.0357","","","0.0779","0.0788","","","","","","1.21","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074621","17.4856","0.0013","19.3601","0.0014","20.1012","0.0015","90","","109.392","0.001","90","","6418.7","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","compound 5","(Tp^Me2^)Ir(CF~3~COO)(Ph)(=C(Me)Ph)","","- C31 H35 B F3 Ir N6 O2 -","- C31 H35 B F3 Ir N6 O2 -","- C248 H280 B8 F24 Ir8 N48 O16 -","8","2","","Ilg, Kerstin; Paneque, Margarita; Poveda, Manuel L.; Rendón, Nuria; Santos, Laura L.; Carmona, Ernesto; Mereiter, Kurt","Vinylidene Compounds from the Reactions of Me3SiC⋮CSiMe3with TpMe2Ir Precursors. Protonation to Alkylidene and Iridabenzene Structures","Organometallics","2006","25","9","2230","","10.1021/om050634k","","","0.71073","MoKα","","0.0562","0.0403","","","0.0926","0.0991","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074622","35.009","0.002","7.968","0.0005","25.796","0.0017","90","","129.232","0.001","90","","5573.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","compound 6 x 1/2Et~2~O","(Tp^Me2^)IrH(CHC(Me)C(Me)CHC(Me)).1/2Et~2~O","","- C25 H39 B Ir N6 O0.5 -","- C25.845 H34 B Ir N6 -","- C206.76 H272 B8 Ir8 N48 -","8","1","","Ilg, Kerstin; Paneque, Margarita; Poveda, Manuel L.; Rendón, Nuria; Santos, Laura L.; Carmona, Ernesto; Mereiter, Kurt","Vinylidene Compounds from the Reactions of Me3SiC⋮CSiMe3with TpMe2Ir Precursors. Protonation to Alkylidene and Iridabenzene Structures","Organometallics","2006","25","9","2230","","10.1021/om050634k","","","0.71073","MoKα","","0.0494","0.0375","","","0.0667","0.0699","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074623","15.497","0.003","8.758","0.0014","27.081","0.005","90","","90","","90","","3675.5","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Ga2 N4 -","- C18 H22 Ga2 N4 -","- C144 H176 Ga16 N32 -","8","1","","Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel","Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State","Organometallics","2006","25","3","588","","10.1021/om0506421","","","0.71073","MoKα","","0.0705","0.0609","","","0.1429","0.1474","","","","","","0.998","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074624","8.9727","0.0018","17.608","0.003","26.764","0.005","90","","90","","90","","4228.5","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 Ga2 N4 -","- C21 H25 Ga2 N4 -","- C168 H200 Ga16 N32 -","8","1","","Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel","Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State","Organometallics","2006","25","3","588","","10.1021/om0506421","","","0.71073","MoKα","","0.0622","0.0451","","","0.0982","0.1061","","","","","","1.039","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074625","15.82","0.004","7.2907","0.0017","8.5398","0.0019","90","","111.805","0.004","90","","914.5","0.4","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C18 H22 Al2 N4 -","- C18 H22 Al2 N4 -","- C36 H44 Al4 N8 -","2","0.25","","Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel","Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State","Organometallics","2006","25","3","588","","10.1021/om0506421","","","0.71073","MoKα","","0.075","0.0704","","","0.1673","0.1698","","","","","","1.238","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074626","13.004","0.003","10.787","0.002","16.481","0.004","90","","90","","90","","2311.9","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H28 Al2 N4 -","- C24 H28 Al2 N4 -","- C96 H112 Al8 N16 -","4","1","","Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel","Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State","Organometallics","2006","25","3","588","","10.1021/om0506421","","","0.71073","MoKα","","0.0717","0.0526","","","0.1154","0.1249","","","","","","1.051","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074627","17.243","0.004","8.693","0.002","18.43","0.004","90","","115.279","0.003","90","","2498","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 B2 N4 -","- C28 H36 B2 N4 -","- C112 H144 B8 N16 -","4","1","","Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel","Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State","Organometallics","2006","25","3","588","","10.1021/om0506421","","","0.71073","MoKα","","0.0701","0.0484","","","0.1189","0.1318","","","","","","0.982","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074628","7.176","0.0017","16.922","0.004","13.252","0.003","90","","101.582","0.017","90","","1576.5","0.6","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 B8 Co P -","- C10 H22 B8 Co P -","- C40 H88 B32 Co4 P4 -","4","1","","Mutseneck, Elena V.; Perekalin, Dmitry S.; Holub, Josef; Starikova, Zoya A.; Petrovskii, Pavel V.; Zanello, Piero; Corsini, Maddalena; Štíbr, Bohumil; Kudinov, Alexander R.","(Tetramethylcyclobutadiene)cobalt Complexes with Phosphacarborane Ligands†","Organometallics","2006","25","10","2419","","10.1021/om050653u","","","0.71073","MoKα","","0.0445","0.0324","","","0.0693","0.0732","","","","","","1.02","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074629","7.313","0.003","16.804","0.006","13.48","0.005","90","","103.694","0.007","90","","1609.4","1.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 B8 Co P -","- C10 H22 B8 Co P -","- C40 H88 B32 Co4 P4 -","4","1","","Mutseneck, Elena V.; Perekalin, Dmitry S.; Holub, Josef; Starikova, Zoya A.; Petrovskii, Pavel V.; Zanello, Piero; Corsini, Maddalena; Štíbr, Bohumil; Kudinov, Alexander R.","(Tetramethylcyclobutadiene)cobalt Complexes with Phosphacarborane Ligands†","Organometallics","2006","25","10","2419","","10.1021/om050653u","","","0.71073","MoKα","","0.0409","0.0353","","","0.0692","0.0715","","","","","","1.033","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074630","15.2228","0.0016","16.3482","0.0017","13.2296","0.0014","90","","90","","90","","3292.4","0.6","120","2","120","2","","","","","","","","6","P 21 c a","P -2ac 2a","29","","","","- C10 H21 B8 Cl Co P -","- C10 H21 B8 Cl Co P -","- C80 H168 B64 Cl8 Co8 P8 -","8","2","","Mutseneck, Elena V.; Perekalin, Dmitry S.; Holub, Josef; Starikova, Zoya A.; Petrovskii, Pavel V.; Zanello, Piero; Corsini, Maddalena; Štíbr, Bohumil; Kudinov, Alexander R.","(Tetramethylcyclobutadiene)cobalt Complexes with Phosphacarborane Ligands†","Organometallics","2006","25","10","2419","","10.1021/om050653u","","","0.71073","MoKα","","0.0551","0.044","","","0.0934","0.0973","","","","","","1.01","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074631","8.928","0.003","10.143","0.004","14.022","0.005","98.909","0.006","95.115","0.006","93.64","0.006","1245.6","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 O5 Ru2 -","- C29 H22 O5 Ru2 -","- C58 H44 O10 Ru4 -","2","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0934","0.0439","","","0.0783","0.0958","","","","","","1.012","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074632","24.07","0.007","7.29","0.002","16.239","0.005","90","","124.083","0.004","90","","2360","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 O4 Ru2 -","- C28 H20 O4 Ru2 -","- C112 H80 O16 Ru8 -","4","0.5","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0453","0.0276","","","0.0522","0.0568","","","","","","1.01","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074633","22.024","0.006","14.171","0.005","16.957","0.006","90","","90.719","0.008","90","","5292","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 Cl2 O4 Ru2 -","- C29 H22 Cl2 O4 Ru2 -","- C232 H176 Cl16 O32 Ru16 -","8","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0992","0.0453","","","0.0667","0.0794","","","","","","0.956","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074634","28.419","0.009","12.792","0.004","16.503","0.005","90","","118.054","0.004","90","","5295","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.25 H20.5 Cl0.5 O4 Ru2 -","- C28.255 H20.36 Cl0.51 O4 Ru2 -","- C226.04 H162.88 Cl4.08 O32 Ru16 -","8","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.1001","0.061","","","0.1982","0.249","","","","","","2.848","","","","has coordinates,has disorder","209914","2020-10-21","18:00:00",""
"4074635","8.687","0.009","11.673","0.012","27.86","0.03","90","","97.826","0.016","90","","2799","5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 O7 Ru2 -","- C31 H26 O7 Ru2 -","- C124 H104 O28 Ru8 -","4","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0771","0.0549","","","0.1707","0.1891","","","","","","1.076","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074636","9.869","0.005","10.941","0.006","13.37","0.007","84.886","0.008","70.146","0.008","64.953","0.008","1227.6","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 O6 Ru2 -","- C30 H24 O6 Ru2 -","- C60 H48 O12 Ru4 -","2","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0484","0.0292","","","0.0712","0.0906","","","","","","1.104","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074637","22.262","0.005","7.069","0.002","22.29","0.005","90","","112.186","0.019","90","","3248.1","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 O4 Ru2 -","- C36 H36 O4 Ru2 -","- C144 H144 O16 Ru8 -","4","0.5","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0801","0.0433","","","0.0849","0.0961","","","","","","1.02","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074638","10.579","0.004","11.98","0.004","14.91","0.005","76.461","0.005","73.896","0.005","66.281","0.004","1645.9","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 O4 Ru2 -","- C36 H36 O4 Ru2 -","- C72 H72 O8 Ru4 -","2","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0572","0.0318","","","0.0662","0.0757","","","","","","1.034","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074639","18.902","0.006","17.305","0.005","21.96","0.007","90","","95.924","0.007","90","","7145","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 Cl2 O4 Ru2 -","- C37 H38 Cl2 O4 Ru2 -","- C296 H304 Cl16 O32 Ru16 -","8","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.1599","0.0578","","","0.1025","0.1522","","","","","","0.973","","","","has coordinates,has disorder","209914","2020-10-21","18:00:00",""
"4074640","11.022","0.004","11.305","0.004","15.355","0.005","98.781","0.006","106.07","0.005","112.801","0.005","1620.3","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 O4 Ru2 -","- C36 H36 O4 Ru2 -","- C72 H72 O8 Ru4 -","2","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0615","0.0331","","","0.0802","0.0906","","","","","","1.05","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074642","9.9188","0.0015","17.33","0.003","7.2858","0.0011","90","","90.348","0.003","90","","1252.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 B Cr N O3 -","- C13 H10 B Cr N O3 -","- C52 H40 B4 Cr4 N4 O12 -","4","1","","Pan, Jun; Kampf, Jeff W.; Ashe, Arthur J.","Switchable Haptotropic Migrations of Tricarbonylchromium Complexes of 1,2-Dihydro-2-phenyl-1,2-azaborine","Organometallics","2006","25","1","197","","10.1021/om0506973","","","0.71073","MoKα","","0.0555","0.0468","","","0.127","0.1347","","","","","","1.094","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074643","7.5897","0.0013","9.9787","0.0017","13.252","0.002","68.342","0.003","75.79","0.003","75.134","0.003","888.8","0.3","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 B Cr N O5 -","- C17 H18 B Cr N O5 -","- C34 H36 B2 Cr2 N2 O10 -","2","1","","Pan, Jun; Kampf, Jeff W.; Ashe, Arthur J.","Switchable Haptotropic Migrations of Tricarbonylchromium Complexes of 1,2-Dihydro-2-phenyl-1,2-azaborine","Organometallics","2006","25","1","197","","10.1021/om0506973","","","0.71073","MoKα","","0.034","0.0298","","","0.0821","0.0842","","","","","","1.041","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074644","9.6236","0.0008","10.3948","0.0009","18.3517","0.0016","90","","93.68","0.002","90","","1832","0.3","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Me4C2Cp2CrCNtBu","","","- C21 H29 Cr N -","- C21 H29 Cr N -","- C84 H116 Cr4 N4 -","4","1","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.0935","0.0498","","","0.0938","0.1069","","","","","","0.988","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074645","12.8489","0.0007","13.4768","0.0007","15.3169","0.0008","74.943","0.001","70.386","0.001","73.237","0.001","2352.9","0.2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","[Ph2(H2)C2Cp2CrCNtBu][BARF]","","","- C53 H29 B Cr F20 N -","- C53 H29 B Cr F20 N -","- C106 H58 B2 Cr2 F40 N2 -","2","1","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.0689","0.0501","","","0.1163","0.1255","","","","","","1.023","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074646","8.2361","0.0006","11.5531","0.0008","12.3836","0.0008","75.863","0.002","74.716","0.002","82.416","0.002","1099.35","0.13","203","2","203","2","","","","","","","","6","P -1","-P 1","2","Me4C2Cp2CrCNCH2SO2C6H4CH3","","","- C25 H29 Cr N O2 S -","- C25 H29 Cr N O2 S -","- C50 H58 Cr2 N2 O4 S2 -","2","1","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.0828","0.0581","","","0.1199","0.1294","","","","","","1.085","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074647","10.025","0.009","27.72","0.03","7.709","0.007","90","","112.64","0.02","90","","1977","3","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Me4C2Cp2CrCNdimep","","","- C25 H29 Cr N -","- C25 H29 Cr N -","- C100 H116 Cr4 N4 -","4","0.5","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.0996","0.0621","","","0.1262","0.138","","","","","","0.934","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074648","11.5318","0.0008","27.2656","0.0019","15.4718","0.0011","90","","93.05","0.02","90","","4857.8","0.6","203","2","203","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Me4C2Cp2CrCNdiep][BARF] + toluene","","","- C56 H37 B Cr F20 N -","- C56 H37 B Cr F20 N -","- C224 H148 B4 Cr4 F80 N4 -","4","1","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.0685","0.0438","","","0.0798","0.0886","","","","","","1.014","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074649","7.641","0.003","10.176","0.007","34.17","0.02","90","","95.51","0.05","90","","2645","3","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FecNCCrCp2C2(H2)Ph2","","","- C35 H29 Cr Fe N -","- C35 H29 Cr Fe N -","- C140 H116 Cr4 Fe4 N4 -","4","1","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.105","0.0609","","","0.139","0.1535","","","","","","1.073","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074650","10.551","0.009","9.168","0.008","17.063","0.018","90","","107.79","0.04","90","","1572","3","81","2","81","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Me4C2Cp2CrCNC6H4NCCrCp2C2Me4","","","- C40 H44 Cr2 N2 -","- C40 H44 Cr2 N2 -","- C80 H88 Cr4 N4 -","2","0.5","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.1412","0.064","","","0.1251","0.152","","","","","","0.894","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074651","12.8945","0.0005","13.3213","0.0005","13.4444","0.0005","69.17","0.01","68.65","0.01","71.84","0.01","1965.8","0.2","81","2","81","2","","","","","","","","5","P -1","-P 1","2","[(Me4C2Cp2CrCN)2Fec] + C6H6","","","- C50 H54 Cr2 Fe N2 -","- C50 H54 Cr2 Fe N2 -","- C100 H108 Cr4 Fe2 N4 -","2","1","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.1093","0.0625","","","0.1115","0.1275","","","","","","0.967","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074652","8.7025","0.0015","11.418","0.002","11.949","0.002","64.326","0.003","88.254","0.003","78.493","0.003","1046.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Cl6 Pt -","- C18 H16 Cl6 Pt -","- C36 H32 Cl12 Pt2 -","2","1","","Singh, Anupam; Sharp, Paul R.","Platinum(II) and Palladium(II) Dibenzo[a,e]cyclooctatetraene (DBCOT) Oxo and Halide Complexes: Comparison to 1,5-COD Analogues","Organometallics","2006","25","3","678","","10.1021/om050713w","","","0.71073","MoKα","","0.0404","0.0376","","","0.0984","0.1002","","","","","","1.048","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074653","8.6556","0.0005","11.4257","0.0006","11.9665","0.0007","63.961","0.001","87.579","0.001","78.227","0.001","1039.44","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Cl6 Pd -","- C18 H16 Cl6 Pd -","- C36 H32 Cl12 Pd2 -","2","1","","Singh, Anupam; Sharp, Paul R.","Platinum(II) and Palladium(II) Dibenzo[a,e]cyclooctatetraene (DBCOT) Oxo and Halide Complexes: Comparison to 1,5-COD Analogues","Organometallics","2006","25","3","678","","10.1021/om050713w","","","0.71073","MoKα","","0.0416","0.0326","","","0.0791","0.084","","","","","","1.035","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074654","13.153","0.0012","16.0334","0.0014","32.836","0.003","90","","90","","90","","6924.7","1.1","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16.5 H13 Cl I2 Pt -","- C16.5 H13 Cl I2 Pt -","- C264 H208 Cl16 I32 Pt16 -","16","2","","Singh, Anupam; Sharp, Paul R.","Platinum(II) and Palladium(II) Dibenzo[a,e]cyclooctatetraene (DBCOT) Oxo and Halide Complexes: Comparison to 1,5-COD Analogues","Organometallics","2006","25","3","678","","10.1021/om050713w","","","0.71073","MoKα","","0.0663","0.0464","","","0.0969","0.1061","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074655","14.5038","0.0009","36.472","0.002","26.1887","0.0016","90","","97.832","0.001","90","","13724.1","1.4","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C112 H91 Au3 B3 Cl30 F12 O3 P3 Pt3 -","- C112 H91 Au3 B3 Cl30 F12 O3 P3 Pt3 -","- C448 H364 Au12 B12 Cl120 F48 O12 P12 Pt12 -","4","1","","Singh, Anupam; Sharp, Paul R.","Platinum(II) and Palladium(II) Dibenzo[a,e]cyclooctatetraene (DBCOT) Oxo and Halide Complexes: Comparison to 1,5-COD Analogues","Organometallics","2006","25","3","678","","10.1021/om050713w","","","0.71073","MoKα","","0.1862","0.0827","","","0.1808","0.2246","","","","","","1.048","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074656","31.612","0.003","16.459","0.002","8.331","0.002","90","","90","","90","","4334.6","1.2","291.2","","291.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 Cl Ir N2 -","- C21 H34 Cl Ir N2 -","- C168 H272 Cl8 Ir8 N16 -","8","1","","Hanasaka, Fumihiro; Tanabe, Yusuke; Fujita, Ken-ichi; Yamaguchi, Ryohei","Synthesis of New Iridium N-Heterocyclic Carbene Complexes and Facile Intramolecular Alkyl C−H Bond Activation Reactions of the Carbene Ligand","Organometallics","2006","25","4","826","","10.1021/om050723x","","","0.7107","MoKα","","0.0309","0.031","","0.035","","0.035","","","1.457","","","1.46","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074657","11.441","0.004","11.805","0.003","18.131","0.007","90","","92.91","0.02","90","","2445.6","1.4","173.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 F3 Ir N3 O3 S -","- C21 H33 F3 Ir N3 O3 S -","- C84 H132 F12 Ir4 N12 O12 S4 -","4","1","","Hanasaka, Fumihiro; Tanabe, Yusuke; Fujita, Ken-ichi; Yamaguchi, Ryohei","Synthesis of New Iridium N-Heterocyclic Carbene Complexes and Facile Intramolecular Alkyl C−H Bond Activation Reactions of the Carbene Ligand","Organometallics","2006","25","4","826","","10.1021/om050723x","","","0.7107","MoKα","","","0.03","","","","0.073","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074658","9.737","0.001","11.711","0.002","14.758","0.002","89.05","0.01","70.79","0.01","89.94","0.01","1588.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[N,N'-1,3-tetrakis(1,1-dimethylethyl)- 1,3,2,4-diazaphosphetidine-2,4-diaminato(2-)-κN2,κN4] phenylmethylene(tetrahydrofuran)titanium(IV)","","- C27 H50 N4 O P2 Ti -","- C27 H50 N4 O P2 Ti -","- C54 H100 N8 O2 P4 Ti2 -","2","1","","Axenov, Kirill V.; Kilpeläinen, Ilkka; Klinga, Martti; Leskelä, Markku; Repo, Timo","Titanium and Zirconium Benzyl Complexes Bearing Bulky Bis(amido)cyclodiphosph(III)azanes: Synthesis, Structure, Activation, and Ethene Polymerization Studies","Organometallics","2006","25","2","463","","10.1021/om050725h","","","0.71073","MoKα","","0.1092","0.0669","","","0.1563","0.1728","","","","","","1.001","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074659","9.067","0.001","18.639","0.003","19.798","0.003","90","","77.56","0.01","90","","3267.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[N,N'-1,3-tetrakis(1,1-dimethylethyl)-1,3,2,4-diazadiphosphetidine- 2,4-diaminato(2-)-κN2;κN4]bis(phenylmethyl)zirconium(IV)","","- C30 H50 N4 P2 Zr -","- C30 H50 N4 P2 Zr -","- C120 H200 N16 P8 Zr4 -","4","1","","Axenov, Kirill V.; Kilpeläinen, Ilkka; Klinga, Martti; Leskelä, Markku; Repo, Timo","Titanium and Zirconium Benzyl Complexes Bearing Bulky Bis(amido)cyclodiphosph(III)azanes: Synthesis, Structure, Activation, and Ethene Polymerization Studies","Organometallics","2006","25","2","463","","10.1021/om050725h","","","0.71073","MoKα","","0.061","0.0336","","","0.0662","0.0739","","","","","","1.009","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074660","10.87","0.001","33.707","0.003","15.506","0.001","90","","100.66","0.01","90","","5583.3","0.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[N,N'-1,3-tetrakis(1,1-dimethylethyl)- 1,3,2,4-diazadiphosphetidine-2,4-diaminato(2-)-κN2,κN4] [1,1-oxybis(ethane)]phenylmethylzirconium(1+) tetrakis(pentafluorophenyl)borate(1-)","","- C52 H60 B F15 N4 O P2 Zr -","- C52 H60 B F15 N4 O P2 Zr -","- C208 H240 B4 F60 N16 O4 P8 Zr4 -","4","1","","Axenov, Kirill V.; Kilpeläinen, Ilkka; Klinga, Martti; Leskelä, Markku; Repo, Timo","Titanium and Zirconium Benzyl Complexes Bearing Bulky Bis(amido)cyclodiphosph(III)azanes: Synthesis, Structure, Activation, and Ethene Polymerization Studies","Organometallics","2006","25","2","463","","10.1021/om050725h","","","0.71073","MoKα","","0.0943","0.0536","","","0.1097","0.1222","","","","","","1.022","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074661","12.164","0.0012","11.328","0.0005","16.122","0.0014","90","","100.114","0.004","90","","2187","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 B Ge Li -","- C24 H30 B Ge Li -","- C96 H120 B4 Ge4 Li4 -","4","1","","Nanjo, Masato; Matsudo, Kazuhiko; Kurihara, Mari; Nakamura, Sayaka; Sakaguchi, Yoshio; Hayashi, Hisaharu; Mochida, Kunio","Preparation, Structural Characterization, and Photochemical Reactions of Silyl- and Germylborates","Organometallics","2006","25","4","832","","10.1021/om050733y","","","0.7107","MoKα","","0.0441","0.0362","","","0.1069","0.1153","","","","","","0.945","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074662","11.192","0.0009","11.083","0.0006","11.537","0.001","84.692","0.005","84.914","0.004","86.971","0.005","1417.87","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 B Ge Li O3 -","- C27 H41 B Ge Li O3 -","- C54 H82 B2 Ge2 Li2 O6 -","2","1","","Nanjo, Masato; Matsudo, Kazuhiko; Kurihara, Mari; Nakamura, Sayaka; Sakaguchi, Yoshio; Hayashi, Hisaharu; Mochida, Kunio","Preparation, Structural Characterization, and Photochemical Reactions of Silyl- and Germylborates","Organometallics","2006","25","4","832","","10.1021/om050733y","","","0.7107","MoKα","","0.039","0.0367","","","0.1207","0.1238","","","","","","1.125","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074663","11.661","0.004","12.151","0.002","16.271","0.005","82.81","0.02","69.852","0.013","84.23","0.02","2143.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H58 B Ge Li O6 -","- C43 H28 B Ge Li O6 -","- C86 H56 B2 Ge2 Li2 O12 -","2","1","","Nanjo, Masato; Matsudo, Kazuhiko; Kurihara, Mari; Nakamura, Sayaka; Sakaguchi, Yoshio; Hayashi, Hisaharu; Mochida, Kunio","Preparation, Structural Characterization, and Photochemical Reactions of Silyl- and Germylborates","Organometallics","2006","25","4","832","","10.1021/om050733y","","","0.7107","MoKα","","0.0899","0.0755","","","0.2037","0.2137","","","","","","1.593","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074664","12.497","0.0005","11.675","0.0006","15.574","0.0006","90","","102.449","0.003","90","","2218.86","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 B Ge Na -","- C24 H30 B Ge Na -","- C96 H120 B4 Ge4 Na4 -","4","1","","Nanjo, Masato; Matsudo, Kazuhiko; Kurihara, Mari; Nakamura, Sayaka; Sakaguchi, Yoshio; Hayashi, Hisaharu; Mochida, Kunio","Preparation, Structural Characterization, and Photochemical Reactions of Silyl- and Germylborates","Organometallics","2006","25","4","832","","10.1021/om050733y","","","0.7107","MoKα","","0.0307","0.0298","","","0.1107","0.1128","","","","","","1.09","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074665","14.608","0.005","23.769","0.005","11.986","0.005","90","","90.564","0.005","90","","4162","2","0","","293","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","heterodimetallacyclopentenone","sythfe","","- C42 H30 Fe O4 P2 Pt S2 -","- C42 H30 Fe O4 P2 Pt S2 -","- C168 H120 Fe4 O16 P8 Pt4 S8 -","4","1","","Yamazaki, Shinsaku; Taira, Zenei; Yonemura, Toshiaki; Deeming, Anthony J.","Metallacycles of 1,4-Bis(3-thiophenyl)-1,3-butadiyne in Mixed Metal Clusters Derived by C−C Bond Coupling of Alkynyls","Organometallics","2006","25","4","849","","10.1021/om050748w","","x-ray","0.71069","MoKα","","0.0513","0.0426","","","0.1426","","","","","","","1.195","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074666","12.868","","15.672","","25.291","","90","","79.677","","90","","5017.81","","293","","298","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","metallacyclic compound of 1,3-diyne","sythrupt","","- C46 H30 O8 P2 Pt Ru3 S2 -","- C46 H30 O8 P2 Pt Ru3 S2 -","- C184 H120 O32 P8 Pt4 Ru12 S8 -","4","1","","Yamazaki, Shinsaku; Taira, Zenei; Yonemura, Toshiaki; Deeming, Anthony J.","Metallacycles of 1,4-Bis(3-thiophenyl)-1,3-butadiyne in Mixed Metal Clusters Derived by C−C Bond Coupling of Alkynyls","Organometallics","2006","25","4","849","","10.1021/om050748w","","x-ray","0.71073","MoKα","","0.064","0.0512","","","","0.1727","","","","","","1.068","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074667","12.616","0.001","16.946","0.002","23.175","0.002","90","","90","","90","","4954.6","0.8","150.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H70 F12 P6 Rh2 -","- C38 H70 F12 P6 Rh2 -","- C152 H280 F48 P24 Rh8 -","4","1","","Imamoto, Tsuneo; Yashio, Keiji; Crépy, Karen V. L.; Katagiri, Kosuke; Takahashi, Hidetoshi; Kouchi, Mitsuhiro; Gridnev, Ilya D.","P-Chiral Tetraphosphine Dirhodium Complex as a Catalyst for Asymmetric Hydrogenation: Synthesis, Structure, Enantioselectivity, and Mechanism. Stereoselective Formation of a Dirhodium Tetrahydride Complex and Its Reaction with Methyl (Z)-α-Acetamidocinnamate","Organometallics","2006","25","4","908","","10.1021/om050759p","","","0.7107","MoKα","","","0.0716","","","","0.0961","","","","","","1.566","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074668","39.214","0.003","13.1766","0.0008","28.174","0.002","90","","131.978","0.002","90","","10822.2","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H46 F6 N3 O0.5 P3 Ru -","- C58.998 H40 F6 N3 O0.5 P3 Ru -","- C471.984 H320 F48 N24 O4 P24 Ru8 -","8","1","","Gao, Li-Bin; Liu, Sheng-Hua; Zhang, Li-Yi; Shi, Lin-Xi; Chen, Zhong-Ning","Preparation, Characterization, Redox Properties, and UV−Vis−NIR Spectra of Binuclear Ruthenium Complexes [{(Phtpy)(PPh3)2Ru}2{C⋮C−(CHCH)m−C⋮C}]n+(Phtpy = 4‘-phenyl-2,2‘:6‘,2‘ ‘-terpyridine)","Organometallics","2006","25","2","506","","10.1021/om050765l","","","0.71073","MoKα","","0.0743","0.0682","","","0.1973","0.2055","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074669","20.5239","0.0008","14.2637","0.0007","10.5071","0.0004","90","","104.031","0.003","90","","2984.1","0.2","150","","150","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","[Ti2(mu-S)2(C5Me5)2{PhC(NSiMe3)2}2]","","- C46 H76 N4 S2 Si4 Ti2 -","- C46 H76 N4 S2 Si4 Ti2 -","- C92 H152 N8 S4 Si8 Ti4 -","2","0.25","","Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip","Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds","Organometallics","2006","25","5","1167","1187","10.1021/om050784v","","","0.71073","MoKα","","","0.0744","","","0.09","","","","","0.9111","0.9111","","","","","has coordinates","288252","2023-12-12","14:26:24",""
"4074670","20.5223","0.0004","20.5223","0.0004","24.3873","0.0006","90","","90","","90","","10271.1","0.4","150","","150","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","[Ti(C5Me5)(N-2,6-C6H3Me2){MeC(N-iPr)2}]","","- C26 H41 N3 Ti -","- C26 H41 N3 Ti -","- C416 H656 N48 Ti16 -","16","1","","Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip","Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds","Organometallics","2006","25","5","1167","1187","10.1021/om050784v","","","0.71073","MoKα","","","0.0396","","","","0.0418","","","","","","1.0434","","","","has coordinates","209809","2020-10-21","18:00:00",""
"4074671","9.416","0.001","10.684","0.002","12.409","0.002","93.934","0.006","94.552","0.008","115.495","0.008","1115.9","0.3","175","","175","","","","","","","","[Ti(N-t-Bu)(C5H4Me){PhC(NSiMe3)2}] + CS2","6","P -1","-P 1","2","","[Ti(mu-S)(C5H4Me){PhC(NSiMe3)2}]2","","- C38 H60 N4 S2 Si4 Ti2 -","- C38 H60 N4 S2 Si4 Ti2 -","- C38 H60 N4 S2 Si4 Ti2 -","1","0.5","","Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip","Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds","Organometallics","2006","25","5","1167","1187","10.1021/om050784v","","","0.71069","MoKα","","","0.0636","","","0.0534","","","","","1.0971","1.0971","","","","","has coordinates","288252","2023-12-12","14:26:24",""
"4074672","19.0867","0.0009","9.827","0.0004","17.7637","0.0007","90","","93.316","0.002","90","","3326.3","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Ti(C5Me5){OC(N-2,6-C6H3Me2)N(2,6-C6H3Me2)}{MeC(N-iPr)2}]","","- C35 H50 N4 O Ti -","- C35 H50 N4 O Ti -","- C140 H200 N16 O4 Ti4 -","4","1","","Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip","Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds","Organometallics","2006","25","5","1167","1187","10.1021/om050784v","","","0.71073","MoKα","","","0.0591","","","","0.0608","","","","","","1.0358","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074673","9.5758","0.0003","9.9197","0.0003","17.2651","0.0006","82.229","0.001","78.344","0.001","84.112","0.001","1586.63","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","[Ti(C5Me5){OC(NC6H5)N(2,6-C6H3Me2)}{MeC(N-iPr)2}]","","- C34 H47 N4 O Ti -","- C34 H47 N4 O Ti -","- C68 H94 N8 O2 Ti2 -","2","1","","Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip","Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds","Organometallics","2006","25","5","1167","1187","10.1021/om050784v","","","0.71073","MoKα","","","0.089","","","","0.0919","","","","","","1.0488","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074674","8.084","0.0005","13.8728","0.0009","20.2548","0.0013","90","","90","","90","","2271.5","0.3","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 Cl N6 O4 Pd -","- C16 H31 Cl N6 O4 Pd -","- C64 H124 Cl4 N24 O16 Pd4 -","4","1","","Moncada, Adriana I.; Manne, Sudhakar; Tanski, Joseph M.; Slaughter, LeGrande M.","Modular Chelated Palladium Diaminocarbene Complexes: Synthesis, Characterization, and Optimization of Catalytic Suzuki−Miyaura Cross-Coupling Activity by Ligand Modification","Organometallics","2006","25","2","491","","10.1021/om050786f","","","0.71073","MoKα","","0.0151","0.0149","","","0.0394","0.0395","","","","","","1.082","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074675","10.8099","0.0008","11.3178","0.0009","11.3765","0.0009","74.719","0.001","62.971","0.001","62.27","0.001","1095.03","0.15","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H30 Br2 N4 O2 Pd S2 -","- C12 H30 Br2 N4 O2 Pd S2 -","- C24 H60 Br4 N8 O4 Pd2 S4 -","2","1","","Moncada, Adriana I.; Manne, Sudhakar; Tanski, Joseph M.; Slaughter, LeGrande M.","Modular Chelated Palladium Diaminocarbene Complexes: Synthesis, Characterization, and Optimization of Catalytic Suzuki−Miyaura Cross-Coupling Activity by Ligand Modification","Organometallics","2006","25","2","491","","10.1021/om050786f","","","0.71073","MoKα","","0.0179","0.0173","","","0.0452","0.0455","","","","","","1.038","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074676","26.292","0.0012","7.6568","0.0003","9.6383","0.0004","90","","107.61","0.003","90","","1849.38","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Br2 N4 Pd -","- C14 H26 Br2 N4 Pd -","- C56 H104 Br8 N16 Pd4 -","4","0.5","","Moncada, Adriana I.; Manne, Sudhakar; Tanski, Joseph M.; Slaughter, LeGrande M.","Modular Chelated Palladium Diaminocarbene Complexes: Synthesis, Characterization, and Optimization of Catalytic Suzuki−Miyaura Cross-Coupling Activity by Ligand Modification","Organometallics","2006","25","2","491","","10.1021/om050786f","","","0.71073","MoKα","","0.0476","0.0411","","","0.0878","0.0894","","","","","","1.234","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074677","11.698","0.002","11.767","0.002","21.873","0.006","90","","121.7","0.02","90","","2561.6","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H34 Br2 N4 O2 Pd S2 -","- C14 H34 Br2 N4 O2 Pd S2 -","- C56 H136 Br8 N16 O8 Pd4 S8 -","4","1","","Moncada, Adriana I.; Manne, Sudhakar; Tanski, Joseph M.; Slaughter, LeGrande M.","Modular Chelated Palladium Diaminocarbene Complexes: Synthesis, Characterization, and Optimization of Catalytic Suzuki−Miyaura Cross-Coupling Activity by Ligand Modification","Organometallics","2006","25","2","491","","10.1021/om050786f","","","0.71073","MoKα","","0.1282","0.0615","","","0.1651","0.2176","","","","","","1.073","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074678","7.5348","0.001","9.0018","0.0012","10.554","0.0014","83.427","0.002","88.08","0.002","81.682","0.002","703.55","0.16","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H18 Br2 N4 O Pd S -","- C7 H18 Br2 N4 O Pd S -","- C14 H36 Br4 N8 O2 Pd2 S2 -","2","1","","Moncada, Adriana I.; Manne, Sudhakar; Tanski, Joseph M.; Slaughter, LeGrande M.","Modular Chelated Palladium Diaminocarbene Complexes: Synthesis, Characterization, and Optimization of Catalytic Suzuki−Miyaura Cross-Coupling Activity by Ligand Modification","Organometallics","2006","25","2","491","","10.1021/om050786f","","","0.71073","MoKα","","0.0463","0.0445","","","0.1208","0.1219","","","","","","1.055","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074679","18.779","0.002","29.478","0.001","18.7773","0.001","90","","118.647","0.01","90","","9122.1","1.4","150","","150","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H65 Cl3 F8 O12 P4 Ru2 -","- C83 H65 Cl3 F8 O12 P4 Ru2 -","- C332 H260 Cl12 F32 O48 P16 Ru8 -","4","1","","van Buijtenen, Jeroen; Meuldijk, Jan; Vekemans, Jef A. J. M.; Hulshof, Lumbertus A.; Kooijman, Huub; Spek, Anthony L.","Dinuclear Ruthenium Complexes Bearing Dicarboxylate and Phosphine Ligands. Acceptorless Catalytic Dehydrogenation of 1-Phenylethanol","Organometallics","2006","25","4","873","","10.1021/om050789s","","x-ray","0.71073","MoKα","","0.0641","0.0444","","","0.129","0.1358","","","","","","1.063","","","","has coordinates","189820","2020-10-21","18:00:00",""
"4074680","20.4988","0.0012","20.8765","0.0012","25.2786","0.0015","66.336","0.018","67.039","0.018","84.82","0.018","9095","2","150","","150","","","","","","","","see text","6","P -1","-P 1","2","","","","- C94 H64 F4 O6 P4 Ru2 -","- C94 H64 F4 O6 P4 Ru2 -","- C376 H256 F16 O24 P16 Ru8 -","4","2","","van Buijtenen, Jeroen; Meuldijk, Jan; Vekemans, Jef A. J. M.; Hulshof, Lumbertus A.; Kooijman, Huub; Spek, Anthony L.","Dinuclear Ruthenium Complexes Bearing Dicarboxylate and Phosphine Ligands. Acceptorless Catalytic Dehydrogenation of 1-Phenylethanol","Organometallics","2006","25","4","873","","10.1021/om050789s","","x-ray","0.71073","MoKα","","0.1332","0.0725","","","0.1724","0.1924","","","","","","0.976","","","","has coordinates","189820","2020-10-21","18:00:00",""
"4074681","15.8597","0.0014","28.26","0.004","21.528","0.002","90","","102.8","0.02","90","","9409","1.9","150","","150","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H64 F4 O6 P4 Ru2 -","- C94 H64 F4 O6 P4 Ru2 -","- C376 H256 F16 O24 P16 Ru8 -","4","1","","van Buijtenen, Jeroen; Meuldijk, Jan; Vekemans, Jef A. J. M.; Hulshof, Lumbertus A.; Kooijman, Huub; Spek, Anthony L.","Dinuclear Ruthenium Complexes Bearing Dicarboxylate and Phosphine Ligands. Acceptorless Catalytic Dehydrogenation of 1-Phenylethanol","Organometallics","2006","25","4","873","","10.1021/om050789s","","x-ray","0.71073","MoKα","","0.1751","0.0991","","","0.2388","0.2676","","","","","","1.048","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074682","11.9657","0.0008","16.0604","0.0011","20.2335","0.0014","90","","98.876","0.002","90","","3841.8","0.5","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H41 Cl2 F5 Fe I O2 P Pd -","- C38 H41 Cl2 F5 Fe I O2 P Pd -","- C152 H164 Cl8 F20 Fe4 I4 O8 P4 Pd4 -","4","1","","Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy","1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling of Aryl Chlorides","Organometallics","2006","25","5","1199","1205","10.1021/om050791j","","","0.71073","MoKα","","0.0994","0.0651","","","0.1683","0.1901","","","","","","1.045","","","","has coordinates","209826","2020-10-21","18:00:00",""
"4074683","10.613","0.0005","12.0109","0.0006","13.3195","0.0007","90.409","0.001","95.317","0.001","94.328","0.001","1685.56","0.15","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C64 H74 Cl4 F10 Fe2 I2 O4 P2 Pd2 -","- C64 H74 Cl4 F10 Fe2 I2 O4 P2 Pd2 -","- C64 H74 Cl4 F10 Fe2 I2 O4 P2 Pd2 -","1","0.5","","Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy","1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling of Aryl Chlorides","Organometallics","2006","25","5","1199","1205","10.1021/om050791j","","","0.71073","MoKα","","0.0656","0.0512","","","0.1238","0.1305","","","","","","1.063","","","","has coordinates,has disorder","209826","2020-10-21","18:00:00",""
"4074684","11.4379","0.0004","17.5926","0.0006","18.4657","0.0007","75.977","0.001","76.18","0.001","79.435","0.001","3469.4","0.2","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H92 F5 Fe2 I O4 P2 Pd -","- C74 H92 F5 Fe2 I O4 P2 Pd -","- C148 H184 F10 Fe4 I2 O8 P4 Pd2 -","2","1","","Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy","1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling of Aryl Chlorides","Organometallics","2006","25","5","1199","1205","10.1021/om050791j","","","0.71073","MoKα","","0.0956","0.0607","","","0.115","0.1274","","","","","","1.021","","","","has coordinates","209826","2020-10-21","18:00:00",""
"4074685","17.996","0.0015","19.5414","0.0015","17.0394","0.0015","90","","114.753","0.002","90","","5441.6","0.8","243","2","243","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H70 F5 Fe2 I O4 P2 Pd -","- C56 H70 F5 Fe2 I O4 P2 Pd -","- C224 H280 F20 Fe8 I4 O16 P8 Pd4 -","4","0.5","","Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy","1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling of Aryl Chlorides","Organometallics","2006","25","5","1199","1205","10.1021/om050791j","","","0.71073","MoKα","","0.1521","0.0771","","","0.1332","0.1555","","","","","","1.01","","","","has coordinates","209826","2020-10-21","18:00:00",""
"4074686","12.8706","0.0002","14.6699","0.0003","22.5006","0.0005","89.7202","0.0007","85.8538","0.0006","66.62","0.001","3888.01","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H88 Cl2 N2 O4 P4 Ru2 -","- C89 H88 Cl2 N2 O4 P4 Ru2 -","- C178 H176 Cl4 N4 O8 P8 Ru4 -","2","1","","Paul, Frédéric; Ellis, Benjamin G.; Bruce, Michael I.; Toupet, Loic; Roisnel, Thierry; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)","Organometallics","2006","25","3","649","","10.1021/om050799t","","","0.71069","MoKα","","0.1043","0.0731","","","0.1837","0.2032","","","","","","1.069","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074687","12.3797","0.0002","13.5627","0.0002","14.3431","0.0003","72.6573","0.0008","88.128","0.0007","66.8617","0.0008","2104.03","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H49 N P2 Ru -","- C51 H49 N P2 Ru -","- C102 H98 N2 P4 Ru2 -","2","1","","Paul, Frédéric; Ellis, Benjamin G.; Bruce, Michael I.; Toupet, Loic; Roisnel, Thierry; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)","Organometallics","2006","25","3","649","","10.1021/om050799t","","","0.71069","MoKα","","0.0443","0.0353","","","0.0876","0.094","","","","","","1.063","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074688","11.9933","0.0003","12.0696","0.0003","15.854","0.0003","91.458","0.002","104.174","0.001","118.673","0.001","1924.46","0.08","120","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H49 F P2 Ru -","- C46 H43 F P2 Ru -","- C92 H86 F2 P4 Ru2 -","2","1","","Paul, Frédéric; Ellis, Benjamin G.; Bruce, Michael I.; Toupet, Loic; Roisnel, Thierry; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)","Organometallics","2006","25","3","649","","10.1021/om050799t","","","0.71073","MoKα","","0.0509","0.0442","","","0.118","0.1236","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074689","12.0259","0.0003","12.0721","0.0003","15.6709","0.0004","73.609","0.002","89.08","0.002","61.644","0.001","1901.88","0.09","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C44 H46 O P2 Ru -","- C44 H44 O P2 Ru -","- C88 H88 O2 P4 Ru2 -","2","1","","Paul, Frédéric; Ellis, Benjamin G.; Bruce, Michael I.; Toupet, Loic; Roisnel, Thierry; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)","Organometallics","2006","25","3","649","","10.1021/om050799t","","x-ray","0.71073","MoKα","","0.0631","0.0481","","","0.1334","0.1457","","","","","","1.059","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074690","15.3442","0.0002","11.5119","0.0001","22.1852","0.0003","90","","108.085","0.001","90","","3725.21","0.08","150","1","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H46 O P2 Ru -","- C45 H46 O P2 Ru -","- C180 H184 O4 P8 Ru4 -","4","1","","Paul, Frédéric; Ellis, Benjamin G.; Bruce, Michael I.; Toupet, Loic; Roisnel, Thierry; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)","Organometallics","2006","25","3","649","","10.1021/om050799t","","","0.71069","MoKα","","0.0454","0.0375","","","0.1008","0.1075","","","","","","1.07","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074691","15.5926","0.0002","11.1284","0.001","22.2708","0.0004","90","","108.789","0.001","90","","3658.5","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 N P2 Ru -","- C44 H45 N P2 Ru -","- C176 H180 N4 P8 Ru4 -","4","1","","Paul, Frédéric; Ellis, Benjamin G.; Bruce, Michael I.; Toupet, Loic; Roisnel, Thierry; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)","Organometallics","2006","25","3","649","","10.1021/om050799t","","x-ray","0.71073","MoKα","","0.0727","0.0386","","","0.0793","0.0899","","","","","","1.057","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074692","8.7321","0.0002","19.3489","0.0005","22.1105","0.0007","90","","98.459","0.001","90","","3695.07","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H43 F P2 Ru -","- C44 H43 F P2 Ru -","- C176 H172 F4 P8 Ru4 -","4","1","","Paul, Frédéric; Ellis, Benjamin G.; Bruce, Michael I.; Toupet, Loic; Roisnel, Thierry; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)","Organometallics","2006","25","3","649","","10.1021/om050799t","","","0.71069","MoKα","","0.121","0.0686","","","0.1647","0.2007","","","","","","1.024","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074693","9.2917","0.0012","14.3188","0.0018","17.576","0.002","85.143","0.002","80.584","0.002","74.207","0.002","2217.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Cl6 F10 I2 P2 Pt2 -","- C38 H22 Cl6 F10 I2 P2 Pt2 -","- C76 H44 Cl12 F20 I4 P4 Pt4 -","2","1","","Ara, Irene; Chaouche, Naima; Forniés, Juan; Fortuño, Consuelo; Kribii, Abdelaziz; Tsipis, Athanassios C.","Formation of PPh2C6F5through Phosphido Platinum and/or Palladium(III) Intermediates","Organometallics","2006","25","5","1084","1091","10.1021/om0508029","","","0.71073","MoKα","","0.0231","0.0205","","","0.0417","0.0424","","","","","","1.015","","","","has coordinates","209870","2020-10-21","18:00:00",""
"4074694","11.0208","0.0007","11.7041","0.0007","17.0947","0.0006","76.621","0.001","78.267","0.001","81.452","0.001","2088.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H24 Cl4 F10 I2 P2 Pt2 -","- C38 H24 Cl4 F10 I2 P2 Pt2 -","- C76 H48 Cl8 F20 I4 P4 Pt4 -","2","1","","Ara, Irene; Chaouche, Naima; Forniés, Juan; Fortuño, Consuelo; Kribii, Abdelaziz; Tsipis, Athanassios C.","Formation of PPh2C6F5through Phosphido Platinum and/or Palladium(III) Intermediates","Organometallics","2006","25","5","1084","1091","10.1021/om0508029","","","0.71073","MoKα","","0.0447","0.0343","","","0.0705","0.0727","","","","","","0.941","","","","has coordinates","209870","2020-10-21","18:00:00",""
"4074695","12.693","0.0012","32.431","0.003","13.2218","0.0012","90","","100.196","0.002","90","","5356.8","0.9","120","2","120","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C78 H116 Cl4 F12 Fe2 O28 P8 Pd4 S4 -","- C78 H116 Cl4 F12 Fe2 O28 P8 Pd4 S4 -","- C156 H232 Cl8 F24 Fe4 O56 P16 Pd8 S8 -","2","0.5","","Kalsin, A. M.; Petrovsky, P. V.; Lyssenko, K. A.; Gusev, O. V.","Unusual Transformation of [Fe{η5-C5H4P(OEt)2}2Pd(H2O)2](OTf)2to a Hexanuclear Cyclopentadienylpalladium Complex","Organometallics","2006","25","8","1854","","10.1021/om050808y","","","0.71073","MoKα","","0.0856","0.0581","","","0.1253","0.1333","","","","","","1.077","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074696","20.822","0.0004","7.509","0.0002","16.866","0.0005","90","","93.181","0.001","90","","2632.98","0.12","200.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Fe2 N2 P2 -","- C28 H36 Fe2 N2 P2 -","- C112 H144 Fe8 N8 P8 -","4","0.5","","Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Stereoselective Synthesis and Coordination Behavior of Phosphorus-Bridged [1.1]Ferrocenophanes","Organometallics","2006","25","4","882","","10.1021/om050809q","","","0.7107","MoKα","","","0.0387","","","","0.0743","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074697","29.437","0.0004","12.692","0.0002","18.855","0.0002","90","","100.194","0.001","90","","6933.3","0.16","200.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H27.5 Cl6.5 Fe2 P2 Pd -","- C33.5 H28 Cl6.5 Fe2 P2 Pd -","- C268 H224 Cl52 Fe16 P16 Pd8 -","8","1","","Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Stereoselective Synthesis and Coordination Behavior of Phosphorus-Bridged [1.1]Ferrocenophanes","Organometallics","2006","25","4","882","","10.1021/om050809q","","","0.7107","MoKα","","","0.0527","","","","0.1247","","","","","","1.219","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074698","12.171","0.0002","15.13","0.0003","10.034","0.0001","101.117","0.001","110.842","0.001","100.482","0.001","1629.97","0.05","200.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 Fe2 P2 Pd -","- C40 H38 Fe2 P2 Pd -","- C80 H76 Fe4 P4 Pd2 -","2","1","","Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Stereoselective Synthesis and Coordination Behavior of Phosphorus-Bridged [1.1]Ferrocenophanes","Organometallics","2006","25","4","882","","10.1021/om050809q","","","0.7107","MoKα","","","0.0293","","","","0.0575","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074699","10.076","0.0001","16.395","0.0002","18.024","0.0003","95.883","0.001","100.267","0.001","92.234","0.001","2909.4","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H54 Cl5 Fe4 Ni2 P4 -","- C65 H54 Cl5 Fe4 Ni2 P4 -","- C130 H108 Cl10 Fe8 Ni4 P8 -","2","1","","Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Stereoselective Synthesis and Coordination Behavior of Phosphorus-Bridged [1.1]Ferrocenophanes","Organometallics","2006","25","4","882","","10.1021/om050809q","","","0.71069","MoKα","","0.0773","0.054","","","0.1128","0.1223","","","","","","1.174","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074700","11.214","0.0002","11.444","0.0002","20.181","0.0003","74.412","0.001","86.102","0.001","65.723","0.001","2271.36","0.07","200.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H46 Fe2 Mn2 O4 P2 -","- C54 H46 Fe2 Mn2 O4 P2 -","- C108 H92 Fe4 Mn4 O8 P4 -","2","1","","Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Stereoselective Synthesis and Coordination Behavior of Phosphorus-Bridged [1.1]Ferrocenophanes","Organometallics","2006","25","4","882","","10.1021/om050809q","","","0.7107","MoKα","","","0.036","","","","0.0653","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074701","12.618","0.001","13.826","0.001","14.102","0.001","96.355","0.01","109.511","0.01","97.251","0.01","2269.4","0.3","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","1,1,1,1-[ethylene-N,N'-bis(2-oxy-4-methoxybenzophenone)iminato]- 2,5-diphenyl-2,5-diazasilolidine dioxane solvate","","- C52 H56 N4 O8 Si -","- C52 H56 N4 O8 Si -","- C104 H112 N8 O16 Si2 -","2","1","","Wagler, Jörg; Gerlach, Daniela; Böhme, Uwe; Roewer, Gerhard","Intramolecular Interligand Charge Transfer in Hexacoordinate Silicon Complexes","Organometallics","2006","25","12","2929","","10.1021/om050816e","","","0.71073","MoKα","","0.0853","0.0399","","","0.088","0.0999","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074702","17.669","0.005","20.229","0.006","21.957","0.007","90","","111.092","0.012","90","","7322","4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1-bis[N-methyl-(2-oxy-4-methoxybenzophenone)iminato]- 2,5-diphenyl-2,5-diazasilolidine","","- C44 H42 N4 O4 Si -","- C44 H42 N4 O4 Si -","- C352 H336 N32 O32 Si8 -","8","2","","Wagler, Jörg; Gerlach, Daniela; Böhme, Uwe; Roewer, Gerhard","Intramolecular Interligand Charge Transfer in Hexacoordinate Silicon Complexes","Organometallics","2006","25","12","2929","","10.1021/om050816e","","","0.71073","MoKα","","0.0748","0.0432","","","0.1093","0.1203","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074703","6.415","0.0002","12.041","0.0005","19.022","0.001","90","","108.702","0.0014","90","","1391.74","0.1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ADG001B","","","- C14 H19 Cl O2 Ti -","- C14 H19 Cl O2 Ti -","- C56 H76 Cl4 O8 Ti4 -","4","1","","Dipasquale, Antonio G.; Hrovat, David A.; Mayer, James M.","Non-Redox Assisted Oxygen-Oxygen Bond Homolysis in Titanocene Alkylperoxide Complexes: [Cp(2)Ti(eta-OOBu)L], L = Cl, OTf, Br, OEt(2), Et(3)P.","Organometallics","2006","25","4","915","924","10.1021/om050818z","","","0.71073","MoKα","","0.0551","0.0393","","","0.1016","0.1083","","","","","","1.047","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074704","6.613","0.0003","11.883","0.0005","19.089","0.001","90","","109.089","0.0019","90","","1417.57","0.12","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AGD006","AGD006","","- C14 H19 Br O2 Ti -","- C14 H19 Br O2 Ti -","- C56 H76 Br4 O8 Ti4 -","4","1","","Dipasquale, Antonio G.; Hrovat, David A.; Mayer, James M.","Non-Redox Assisted Oxygen-Oxygen Bond Homolysis in Titanocene Alkylperoxide Complexes: [Cp(2)Ti(eta-OOBu)L], L = Cl, OTf, Br, OEt(2), Et(3)P.","Organometallics","2006","25","4","915","924","10.1021/om050818z","","","0.71073","MoKα","","0.0843","0.0391","","","0.0658","0.0741","","","","","","0.969","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074705","15.302","0.003","15.983","0.003","17.352","0.003","90","","112.55","0.03","90","","3919.4","1.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H67 Al Si2 Zr -","- C36 H67 Al Si2 Zr -","- C144 H268 Al4 Si8 Zr4 -","4","1","","Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe","Simple Alumination Reactions of Pentamethylcyclopentadienyl Ligands in the Decamethylzirconocene−Bis(trimethylsilyl)acetylene Complex Cp*2Zr(η2-Me3SiC2SiMe3)","Organometallics","2006","25","2","519","","10.1021/om050821i","","","0.71073","MoKα","","0.0641","0.0386","","0.0927","0.0858","","","","0.917","1.026","1.026","","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074706","10.036","0.002","11.342","0.002","16.376","0.003","88.48","0.03","73.14","0.03","74.79","0.03","1719","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H57 Al Si2 Zr -","- C32 H57 Al Si2 Zr -","- C64 H114 Al2 Si4 Zr2 -","2","1","","Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe","Simple Alumination Reactions of Pentamethylcyclopentadienyl Ligands in the Decamethylzirconocene−Bis(trimethylsilyl)acetylene Complex Cp*2Zr(η2-Me3SiC2SiMe3)","Organometallics","2006","25","2","519","","10.1021/om050821i","","","0.71073","MoKα","","0.1195","0.0613","","","0.1334","0.1484","","","","","","0.867","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074707","15.935","0.003","17.504","0.003","29.098","0.005","90","","90","","90","","8116","2","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C41 H54 Ga Ti0.5 -","- C41 H54 Ga Ti0.5 -","- C328 H432 Ga8 Ti4 -","8","1","","Yang, Xiao-Juan; Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Chen, Zhongfang; Schleyer, Paul v. R.; Robinson, Gregory H.","Syntheses, Structures, and Bonding of Cp2M(ER)2Compounds (Cp = C5H5; M = Ti, Zr; E = Ga, In; R = C6H3-2,6-(2,4,6-i-Pr3C6H2)2)","Organometallics","2006","25","4","925","","10.1021/om050825n","","","0.71073","MoKα","","0.0773","0.0502","","","0.1394","0.1748","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074708","15.7984","0.0008","17.7455","0.0009","29.5189","0.0015","90","","90","","90","","8275.6","0.7","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C41 H54 In Ti0.5 -","- C41 H54 In Ti0.5 -","- C328 H432 In8 Ti4 -","8","1","","Yang, Xiao-Juan; Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Chen, Zhongfang; Schleyer, Paul v. R.; Robinson, Gregory H.","Syntheses, Structures, and Bonding of Cp2M(ER)2Compounds (Cp = C5H5; M = Ti, Zr; E = Ga, In; R = C6H3-2,6-(2,4,6-i-Pr3C6H2)2)","Organometallics","2006","25","4","925","","10.1021/om050825n","","","0.71073","MoKα","","0.0678","0.049","","","0.1564","0.1999","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074709","15.6959","0.0015","17.7203","0.0017","29.497","0.003","90","","90","","90","","8204.2","1.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C41 H54 In Zr0.5 -","- C41 H54 In Zr0.5 -","- C328 H432 In8 Zr4 -","8","1","","Yang, Xiao-Juan; Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Chen, Zhongfang; Schleyer, Paul v. R.; Robinson, Gregory H.","Syntheses, Structures, and Bonding of Cp2M(ER)2Compounds (Cp = C5H5; M = Ti, Zr; E = Ga, In; R = C6H3-2,6-(2,4,6-i-Pr3C6H2)2)","Organometallics","2006","25","4","925","","10.1021/om050825n","","","0.71073","MoKα","","0.0741","0.0423","","","0.1052","0.1333","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074710","7.5169","0.0001","11.5414","0.0001","13.8896","0.0001","96.36","","93.272","0.001","107.103","0.001","1139.51","0.02","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C28 H25 P Pd -","- C28 H25 P Pd -","- C56 H50 P2 Pd2 -","2","1","","Sui-Seng, Christine; Groux, Laurent F.; Zargarian, Davit","Synthesis and Reactivities of Neutral and Cationic Indenyl−Palladium Complexes","Organometallics","2006","25","3","571","","10.1021/om050826f","","","1.54178","CuKα","","0.0296","0.0287","","","0.0747","0.0752","","","","","","1.053","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074711","11.685","0.005","20.765","0.011","15.709","0.006","90","","95.89","0.03","90","","3791","3","293","2","293","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 B F4 P2 Pd -","- C45 H37 B F4 P2 Pd -","- C180 H148 B4 F16 P8 Pd4 -","4","1","","Sui-Seng, Christine; Groux, Laurent F.; Zargarian, Davit","Synthesis and Reactivities of Neutral and Cationic Indenyl−Palladium Complexes","Organometallics","2006","25","3","571","","10.1021/om050826f","","","1.54178","CuKα","","0.1428","0.0475","","","0.0663","0.0873","","","","","","0.643","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074712","11.893","0.0001","14.2475","0.0001","14.2624","0.0001","75.97","0.001","84.247","0.001","68.763","0.001","2185.18","0.03","220","2","220","2","","","","","","","Synthesized by the authors. See text","7","P -1","-P 1","2","","","","- C47.5 H42 B Cl3 F4 P2 Pd -","- C47.5 H42 B Cl3 F4 P2 Pd -","- C95 H84 B2 Cl6 F8 P4 Pd2 -","2","1","","Sui-Seng, Christine; Groux, Laurent F.; Zargarian, Davit","Synthesis and Reactivities of Neutral and Cationic Indenyl−Palladium Complexes","Organometallics","2006","25","3","571","","10.1021/om050826f","","","1.54178","CuKα","","0.0479","0.0435","","","0.1186","0.1223","","","","","","1.003","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074713","10.3261","0.0001","11.2327","0.0002","23.9756","0.0003","80.607","0.001","87.53","0.001","74.077","0.001","2638.37","0.06","220","2","220","2","","","","","","","Synthesized by the authors. See text","7","P -1","-P 1","2","","","","- C28 H22 F3 O3 P Pd S -","- C28 H22 F3 O3 P Pd S -","- C112 H88 F12 O12 P4 Pd4 S4 -","4","2","","Sui-Seng, Christine; Groux, Laurent F.; Zargarian, Davit","Synthesis and Reactivities of Neutral and Cationic Indenyl−Palladium Complexes","Organometallics","2006","25","3","571","","10.1021/om050826f","","","1.54178","CuKα","","0.0567","0.0421","","","0.1046","0.1124","","","","","","0.955","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074714","9.718","0.003","14.501","0.004","18.768","0.005","85.523","0.004","82.419","0.004","74.328","0.004","2521.7","1.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C57.5 H18 B F28 -","- C57.64 H15 B F28 -","- C115.28 H30 B2 F56 -","2","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.1749","0.0678","","","0.1718","0.2292","","","","","","0.879","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074715","12.6562","0.0011","13.2621","0.0012","30.7946","0.0027","85.8182","0.0015","87.6169","0.0016","76.1506","0.0015","5003.6","0.8","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C105 H30 Al3 F47 -","- C105 H30 Al3 F47 -","- C210 H60 Al6 F94 -","2","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71069","MoKα","","0.1399","0.0815","","","0.2389","0.2808","","","","","","1.018","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074716","13.3346","0.0013","14.3315","0.0014","21.134","0.002","90.371","0.002","104.966","0.002","94.913","0.002","3885.8","0.7","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C83.5 H19 Al2 F43 -","- C83.5 H19 Al2 F43 -","- C167 H38 Al4 F86 -","2","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.1505","0.075","","","0.2195","0.266","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074717","15.975","0.002","14.134","0.002","23.14","0.003","90","","101.368","0.002","90","","5122.3","1.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H15 F31 Ga2 -","- C55 H15 F31 Ga2 -","- C220 H60 F124 Ga8 -","4","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.1278","0.049","","","0.1068","0.1401","","","","","","0.961","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074718","12.3098","0.0008","7.8476","0.0005","33.702","0.002","90","","97.732","0.001","90","","3226.1","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H15 Al Cl F15 -","- C37 H15 Al Cl F15 -","- C148 H60 Al4 Cl4 F60 -","4","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.0688","0.045","","","0.1094","0.1249","","","","","","1.034","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074719","12.51","0.009","7.896","0.005","33.79","0.02","90","","97.512","0.014","90","","3309","4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H15 Al Br F15 -","- C37 H15 Al Br F15 -","- C148 H60 Al4 Br4 F60 -","4","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.1278","0.0484","","","0.0995","0.1402","","","","","","0.932","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074720","16.0202","0.0016","16.9357","0.0017","17.3241","0.0017","112.792","0.002","106.482","0.002","101.012","0.002","3907.1","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H58 B F29 Zr2 -","- C94 H58 B F29 Zr2 -","- C188 H116 B2 F58 Zr4 -","2","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.1045","0.0507","","","0.1162","0.1476","","","","","","0.973","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074721","11.9646","0.0008","21.1165","0.0014","30.68","0.002","90","","101.237","0.001","90","","7602.7","0.9","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H21 Al F15.5 Zr -","- C43.5 H21 Al F15.5 Zr -","- C348 H168 Al8 F124 Zr8 -","8","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.0747","0.0463","","","0.1161","0.136","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074722","12.947","0.002","17.518","0.003","23.134","0.004","84.617","0.003","79.768","0.003","84.966","0.003","5127.2","1.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H50 Al2 F43 Zr2 -","- C110.26 H50 Al2 F43 Zr2 -","- C220.52 H100 Al4 F86 Zr4 -","2","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.3386","0.1069","","","0.2752","0.3823","","","","","","0.877","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074723","8.7197","0.0015","15.908","0.003","15.612","0.003","90","","91.03","0.003","90","","2165.2","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H36 Cl2 F10 Zr2 -","- C54 H36 Cl2 F10 Zr2 -","- C108 H72 Cl4 F20 Zr4 -","2","0.5","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.1234","0.0615","","","0.1513","0.1814","","","","","","0.981","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074724","14.145","0.004","14.57","0.004","15.542","0.004","111.423","0.005","100.32","0.005","112.691","0.005","2552.9","1.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.5 H18 Al Br F20 Zr -","- C48.5 H18 Al Br F20 Zr -","- C97 H36 Al2 Br2 F40 Zr2 -","2","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.1687","0.089","","","0.2469","0.3004","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074725","10.95","0.001","11.2767","0.0008","12.122","0.001","101.256","0.003","92.958","0.004","103.578","0.006","1419.5","0.2","223.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 O2 P2 Pt2 S2 -","- C136 H116 O4 P4 Pt4 S4 -","- C136 H116 O4 P4 Pt4 S4 -","1","0.5","","Minami, Yasunori; Kato, Tomohiro; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki","Reactions of α,β-Unsaturated Thioesters with Platinum(0): Implication of a Dual Mechanism Leading to the Formation of Acyl Platinum†","Organometallics","2006","25","12","2949","","10.1021/om050834w","","","0.7107","MoKα","","","0.0395","","","","0.1056","","","","","","1.758","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074726","12.4467","0.0016","13.9013","0.0016","32.399","0.004","90","","91.951","0.004","90","","5602.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Si4 Zr -","- C22 H42 Si4 Zr -","- C176 H336 Si32 Zr8 -","8","2","","Bernskoetter, Wesley H.; Pool, Jaime A.; Lobkovsky, Emil; Chirik, Paul J.","Carbon‒Hydrogen Bond Activation with a Cyclometalated Zirconocene Hydride: Mechanistic Differences between Arene and Alkane Reductive Elimination","Organometallics","2006","25","5","1092","1100","10.1021/om0508379","","","0.71073","MoKα","","0.073","0.0599","","","0.1137","0.1178","","","","","","1.203","","","","has coordinates","209831","2020-10-21","18:00:00",""
"4074727","29.984","0.007","9.152","0.002","20.813","0.005","90","","108.594","0.005","90","","5413","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 Si4 Zr -","- C22 H40 Si4 Zr -","- C176 H320 Si32 Zr8 -","8","1","","Bernskoetter, Wesley H.; Pool, Jaime A.; Lobkovsky, Emil; Chirik, Paul J.","Carbon‒Hydrogen Bond Activation with a Cyclometalated Zirconocene Hydride: Mechanistic Differences between Arene and Alkane Reductive Elimination","Organometallics","2006","25","5","1092","1100","10.1021/om0508379","","","0.71073","MoKα","","0.0557","0.037","","","0.0776","0.0838","","","","","","1.066","","","","has coordinates","209831","2020-10-21","18:00:00",""
"4074728","11.9916","0.0007","15.6633","0.0009","15.3898","0.0008","90","","99.528","0.002","90","","2850.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H43 O0.5 Si4 Zr -","- C22 H43 O0.5 Si4 Zr -","- C88 H172 O2 Si16 Zr4 -","4","1","","Bernskoetter, Wesley H.; Pool, Jaime A.; Lobkovsky, Emil; Chirik, Paul J.","Carbon‒Hydrogen Bond Activation with a Cyclometalated Zirconocene Hydride: Mechanistic Differences between Arene and Alkane Reductive Elimination","Organometallics","2006","25","5","1092","1100","10.1021/om0508379","","","0.71073","MoKα","","0.0523","0.0387","","","0.0823","0.0875","","","","","","1.063","","","","has coordinates","209831","2020-10-21","18:00:00",""
"4074729","11.9803","0.0004","15.6603","0.0005","15.3767","0.0006","90","","99.467","0.001","90","","2845.61","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H43 O0.5 Si4 Zr -","- C22 H43 O0.5 Si4 Zr -","- C88 H172 O2 Si16 Zr4 -","4","1","","Bernskoetter, Wesley H.; Pool, Jaime A.; Lobkovsky, Emil; Chirik, Paul J.","Carbon‒Hydrogen Bond Activation with a Cyclometalated Zirconocene Hydride: Mechanistic Differences between Arene and Alkane Reductive Elimination","Organometallics","2006","25","5","1092","1100","10.1021/om0508379","","","0.71073","MoKα","","0.0471","0.0353","","","0.0917","0.0972","","","","","","1.057","","","","has coordinates","209831","2020-10-21","18:00:00",""
"4074730","11.0279","0.0016","19.913","0.003","18.382","0.003","90","","104.107","0.002","90","","3914.9","1","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H22 O12 Os3 P2 -","- C39 H22 O12 Os3 P2 -","- C156 H88 O48 Os12 P8 -","4","1","","Watson, William H.; Wu, Guanmin; Richmond, Michael G.","Diphosphine Isomerization and C−H and P−C Bond Cleavage Reactivity in the Triosmium Cluster Os3(CO)10(bpcd): Kinetic and Isotope Data for Reversible Ortho Metalation and X-ray Structures of the Bridging and Chelating Isomers of Os3(CO)10(bpcd) and the Benzyne-Substituted Cluster HOs3(CO)8(μ3-C6H4)[μ2,η1-PPhCC(PPh2)C(O)CH2C(O)]†","Organometallics","2006","25","4","930","","10.1021/om050839t","","","0.71073","MoKα","","0.0336","0.0249","","","0.0582","0.0619","","","","","","0.966","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074731","22.35","0.006","11.511","0.003","17.383","0.005","90","","111.281","0.005","90","","4167","2","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H29 O10 Os3 P2 -","- C44 H29 O10 Os3 P2 -","- C176 H116 O40 Os12 P8 -","4","1","","Watson, William H.; Wu, Guanmin; Richmond, Michael G.","Diphosphine Isomerization and C−H and P−C Bond Cleavage Reactivity in the Triosmium Cluster Os3(CO)10(bpcd): Kinetic and Isotope Data for Reversible Ortho Metalation and X-ray Structures of the Bridging and Chelating Isomers of Os3(CO)10(bpcd) and the Benzyne-Substituted Cluster HOs3(CO)8(μ3-C6H4)[μ2,η1-PPhCC(PPh2)C(O)CH2C(O)]†","Organometallics","2006","25","4","930","","10.1021/om050839t","","","0.71073","MoKα","","0.1181","0.078","","","0.1643","0.1809","","","","","","0.993","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074732","14.031","0.004","30.894","0.01","11.881","0.004","90","","115.05","0.02","90","","4666","3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H22 O12 Os3 P2 -","- C47 H22 O12 Os3 P2 -","- C188 H88 O48 Os12 P8 -","4","1","","Watson, William H.; Wu, Guanmin; Richmond, Michael G.","Diphosphine Isomerization and C−H and P−C Bond Cleavage Reactivity in the Triosmium Cluster Os3(CO)10(bpcd): Kinetic and Isotope Data for Reversible Ortho Metalation and X-ray Structures of the Bridging and Chelating Isomers of Os3(CO)10(bpcd) and the Benzyne-Substituted Cluster HOs3(CO)8(μ3-C6H4)[μ2,η1-PPhCC(PPh2)C(O)CH2C(O)]†","Organometallics","2006","25","4","930","","10.1021/om050839t","","","0.71073","MoKα","","0.1031","0.0477","","","0.0782","0.088","","","","","","0.923","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074733","9.286","0.003","17.711","0.006","17.903","0.006","61.037","0.014","81.471","0.014","78.713","0.015","2521.4","1.5","98","","98","","","","","","","","","4","P -1","-P 1","2","","","","- C27.22 H29.22 Cl2 Zr -","- C27.224 H29.224 Cl2 Zr -","- C108.896 H116.896 Cl8 Zr4 -","4","2","","Miller, Stephen A.; Bercaw, John E.","Mechanism of Isotactic Polypropylene Formation withC1-Symmetric Metallocene Catalysts","Organometallics","2006","25","15","3576","","10.1021/om050841k","","","0.71073","MoKα","","0.6696","0.1142","","","0.1959","0.3262","","","","","","0.744","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074734","13.4972","0.0009","11.6567","0.0008","13.6483","0.0009","90","","109.357","0.001","90","","2025.9","0.2","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H24 Fe2 N2 -","- C25 H24 Fe2 N2 -","- C100 H96 Fe8 N8 -","4","2","","Bertogg, Andreas; Togni, Antonio","A Novel Chiral Ferrocene-Based Amidine/Amidinato Ligand and Its Rhodium Complexes","Organometallics","2006","25","3","622","630","10.1021/om050845p","","","0.71073","MoKα","","0.0529","0.0464","","","0.1026","0.1056","","","","","","0.975","","","","has coordinates","209869","2020-10-21","18:00:00",""
"4074735","30.0424","0.0018","11.6907","0.0007","17.6982","0.001","90","","121.906","0.001","90","","5276.8","0.5","200","2","200","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H48 Cl Fe2 N2 P2 Rh -","- C50 H48 Cl Fe2 N2 P2 Rh -","- C200 H192 Cl4 Fe8 N8 P8 Rh4 -","4","1","","Bertogg, Andreas; Togni, Antonio","A Novel Chiral Ferrocene-Based Amidine/Amidinato Ligand and Its Rhodium Complexes","Organometallics","2006","25","3","622","630","10.1021/om050845p","","","0.71073","MoKα","","0.0845","0.0744","","","0.2103","0.2205","","","","","","1.158","","","","has coordinates","209869","2020-10-21","18:00:00",""
"4074736","10.045","0.0017","14.974","0.003","16.593","0.004","107.298","0.019","101.259","0.017","99.948","0.016","2265","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H50 B Cl2 N2 P Ru -","- C54 H50 B Cl2 N2 P Ru -","- C108 H100 B2 Cl4 N4 P2 Ru2 -","2","1","","Geldbach, Tilmann J.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J.","Synthesis of Imidazolium-Tethered Ruthenium(II)-Arene Complexes and Their Application in Biphasic Catalysis","Organometallics","2006","25","3","733","","10.1021/om050849u","","","0.71073","MoKα","","0.0991","0.0596","","","0.1415","0.1603","","","","","","0.903","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074737","9.2984","0.0015","9.7207","0.0018","20.453","0.003","86.374","0.014","87.931","0.013","64.96","0.016","1671.5","0.5","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H70 Cl8 N6 P2 Pd Ru2 -","- C66 H70 Cl8 N6 P2 Pd Ru2 -","- C66 H70 Cl8 N6 P2 Pd Ru2 -","1","0.5","","Geldbach, Tilmann J.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J.","Synthesis of Imidazolium-Tethered Ruthenium(II)-Arene Complexes and Their Application in Biphasic Catalysis","Organometallics","2006","25","3","733","","10.1021/om050849u","","","0.71073","MoKα","","0.1191","0.0554","","","0.1103","0.1268","","","","","","0.779","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074738","9.8915","0.0004","28.6704","0.0016","17.3285","0.0011","90","","100.768","0.005","90","","4827.7","0.5","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H56 B Cl2 N2 P Ru -","- C57 H56 B Cl2 N2 P Ru -","- C228 H224 B4 Cl8 N8 P4 Ru4 -","4","1","","Geldbach, Tilmann J.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J.","Synthesis of Imidazolium-Tethered Ruthenium(II)-Arene Complexes and Their Application in Biphasic Catalysis","Organometallics","2006","25","3","733","","10.1021/om050849u","","","0.71073","MoKα","","0.069","0.0461","","","0.1082","0.1205","","","","","","1.05","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074739","8.4686","0.0008","8.6857","0.0011","10.858","0.0011","76.064","0.01","87.346","0.008","84.323","0.009","771.15","0.15","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Cl2 N2 Ru -","- C15 H20 Cl2 N2 Ru -","- C30 H40 Cl4 N4 Ru2 -","2","1","","Geldbach, Tilmann J.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J.","Synthesis of Imidazolium-Tethered Ruthenium(II)-Arene Complexes and Their Application in Biphasic Catalysis","Organometallics","2006","25","3","733","","10.1021/om050849u","","","0.71073","MoKα","","0.0374","0.0346","","","0.0908","0.0921","","","","","","1.107","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074740","9.653","0.004","30.884","0.01","10.1847","0.0008","90","","97.648","0.016","90","","3009.3","1.6","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 B N2 -","- C37 H39 B N2 -","- C148 H156 B4 N8 -","4","1","","Geldbach, Tilmann J.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J.","Synthesis of Imidazolium-Tethered Ruthenium(II)-Arene Complexes and Their Application in Biphasic Catalysis","Organometallics","2006","25","3","733","","10.1021/om050849u","","","0.71073","MoKα","","0.0987","0.0686","","","0.1593","0.1857","","","","","","1.093","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074741","6.6668","0.0007","13.4716","0.0013","11.5792","0.0011","90","","91.366","0.001","90","","1039.66","0.18","143","1","143","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H28 B20 -","- C8 H28 B20 -","- C16 H56 B40 -","2","0.5","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Homo and Cross Metathesis Reactions of Alkenylpolyboranes: New Routes to Functionalo-Carborane and Decaborane Derivatives","Organometallics","2006","25","3","609","","10.1021/om050851l","","","0.71069","MoKα","","0.0505","0.0464","","","0.1242","0.1286","","","","","","1.061","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074742","11.0159","0.0011","12.3665","0.0015","12.6098","0.0015","113.458","0.002","94.507","0.002","100.69","0.002","1526.2","0.3","143","1","143","1","","","","","","","","3","P -1","-P 1","2","","","","- C11 H20 B10 -","- C11 H20 B10 -","- C44 H80 B40 -","4","2","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Homo and Cross Metathesis Reactions of Alkenylpolyboranes: New Routes to Functionalo-Carborane and Decaborane Derivatives","Organometallics","2006","25","3","609","","10.1021/om050851l","","","0.71069","MoKα","","0.0638","0.0525","","","0.1312","0.1401","","","","","","1.059","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074743","11.3607","0.001","12.2813","0.0011","14.8379","0.0013","95.676","0.002","99.914","0.002","100.532","0.002","1986.7","0.3","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H29 B11 O2 -","- C12 H29 B11 O2 -","- C48 H116 B44 O8 -","4","2","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Homo and Cross Metathesis Reactions of Alkenylpolyboranes: New Routes to Functionalo-Carborane and Decaborane Derivatives","Organometallics","2006","25","3","609","","10.1021/om050851l","","","0.71069","MoKα","","0.1033","0.0835","","","0.22","0.2397","","","","","","1.099","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074744","8.5581","0.0005","10.3974","0.0008","20.5774","0.0015","90","","90","","90","","1831","0.2","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H27 B10 N O2 -","- C11 H27 B10 N O2 -","- C44 H108 B40 N4 O8 -","4","1","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Homo and Cross Metathesis Reactions of Alkenylpolyboranes: New Routes to Functionalo-Carborane and Decaborane Derivatives","Organometallics","2006","25","3","609","","10.1021/om050851l","","","0.71069","MoKα","","0.05","0.0464","","","0.1476","0.1602","","","","","","1.167","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074745","16.9806","0.0015","19.8734","0.0017","6.9346","0.0006","90","","90","","90","","2340.2","0.4","143","1","143","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H36 B20 -","- C9 H36 B20 -","- C36 H144 B80 -","4","1","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Homo and Cross Metathesis Reactions of Alkenylpolyboranes: New Routes to Functionalo-Carborane and Decaborane Derivatives","Organometallics","2006","25","3","609","","10.1021/om050851l","","","0.71069","MoKα","","0.0945","0.0766","","","0.1956","0.2179","","","","","","0.985","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074746","18.489","0.004","21.169","0.004","18.701","0.004","90","","112.47","0.03","90","","6764","3","373","2","373","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12.5 H22 Au Cl N3 O1.75 P -","- C12.5 H22 Au Cl N3 O1.75 P -","- C200 H352 Au16 Cl16 N48 O28 P16 -","16","4","","Mohr, Fabian; Cerrada, Elena; Laguna, Mariano","Organometallic Gold(I) and Gold(III) Complexes Containing 1,3,5-Triaza-7-phosphaadamantane (TPA): Examples of Water-Soluble Organometallic Gold Compounds","Organometallics","2006","25","3","644","","10.1021/om050852d","","","0.71073","MoKα","","0.0707","0.0512","","","0.1382","0.1448","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074747","10.256","0.002","13.206","0.003","20.794","0.004","79.12","0.03","76.88","0.03","71.28","0.03","2577.1","1.1","150","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H12 Au F15 N3 P -","- C24 H12 Au F15 N3 P -","- C96 H48 Au4 F60 N12 P4 -","4","2","","Mohr, Fabian; Cerrada, Elena; Laguna, Mariano","Organometallic Gold(I) and Gold(III) Complexes Containing 1,3,5-Triaza-7-phosphaadamantane (TPA): Examples of Water-Soluble Organometallic Gold Compounds","Organometallics","2006","25","3","644","","10.1021/om050852d","","","0.71073","MoKα","","0.0224","0.018","","","0.0393","0.0403","","","","","","1.007","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074748","11.8489","0.0012","15.9777","0.0016","16.0975","0.0016","90","","90","","90","","3047.5","0.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H58 N P2 Ru Si2 -","- C24 H58 N P2 Ru Si2 -","- C96 H232 N4 P8 Ru4 Si8 -","4","1","","Ingleson, Michael J.; Pink, Maren; Huffman, John C.; Fan, Hongjun; Caulton, Kenneth G.","[(tBu2PCH2SiMe2)2N]RuMe2: Synthesis and Reactivity of an Unsaturated Ruthenium Dialkyl Radical Species","Organometallics","2006","25","5","1112","1119","10.1021/om0508536","","","0.71073","MoKα","","0.0273","0.0258","","","0.0689","0.07","","","","","","1.088","","","","has coordinates","209841","2020-10-21","18:00:00",""
"4074749","16.0426","0.0007","12.9141","0.0006","16.5029","0.0008","90","","114.775","0.001","90","","3104.3","0.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H55 Cl N2 O P2 Ru Si2 -","- C23 H55 Cl N2 O P2 Ru Si2 -","- C92 H220 Cl4 N8 O4 P8 Ru4 Si8 -","4","1","","Ingleson, Michael J.; Pink, Maren; Huffman, John C.; Fan, Hongjun; Caulton, Kenneth G.","[(tBu2PCH2SiMe2)2N]RuMe2: Synthesis and Reactivity of an Unsaturated Ruthenium Dialkyl Radical Species","Organometallics","2006","25","5","1112","1119","10.1021/om0508536","","","0.71073","MoKα","","0.0383","0.0307","","","0.077","0.0815","","","","","","1.03","","","","has coordinates,has disorder","209841","2020-10-21","18:00:00",""
"4074750","10.1346","0.0011","29.621","0.003","11.2384","0.0012","90","","109.978","0.003","90","","3170.7","0.6","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H55 N O2 P2 Ru Si2 -","- C25 H55 N O2 P2 Ru Si2 -","- C100 H220 N4 O8 P8 Ru4 Si8 -","4","1","","Ingleson, Michael J.; Pink, Maren; Huffman, John C.; Fan, Hongjun; Caulton, Kenneth G.","[(tBu2PCH2SiMe2)2N]RuMe2: Synthesis and Reactivity of an Unsaturated Ruthenium Dialkyl Radical Species","Organometallics","2006","25","5","1112","1119","10.1021/om0508536","","","0.71073","MoKα","","0.0654","0.0574","","","0.1303","0.1341","","","","","","1.186","","","","has coordinates","209841","2020-10-21","18:00:00",""
"4074751","12.533","0.003","17.061","0.004","47.05","0.011","90","","92.91","0.006","90","","10048","4","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H168 I6 N3 P6 Ru3 Si6 -","- C71 H168 I6 N3 P6 Ru3 Si6 -","- C284 H672 I24 N12 P24 Ru12 Si24 -","4","1","","Ingleson, Michael J.; Pink, Maren; Huffman, John C.; Fan, Hongjun; Caulton, Kenneth G.","[(tBu2PCH2SiMe2)2N]RuMe2: Synthesis and Reactivity of an Unsaturated Ruthenium Dialkyl Radical Species","Organometallics","2006","25","5","1112","1119","10.1021/om0508536","","","0.71073","MoKα","","0.0565","0.039","","","0.0918","0.0985","","","","","","1.022","","","","has coordinates,has disorder","209841","2020-10-21","18:00:00",""
"4074752","13.978","0.001","15.035","0.001","15.397","0.001","89.736","0.001","72","0.001","88.186","0.001","3075.9","0.4","117.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C61 H31 B F20 N2 P Rh Si -","- C61 H31 B F20 N2 P Rh Si -","- C122 H62 B2 F40 N4 P2 Rh2 Si2 -","2","1","","Sangtrirutnugul, Preeyanuch; Stradiotto, Mark; Tilley, T. Don","Rhodium Complexes Containing a Tridentate Bis(8-quinolyl)methylsilyl Ligand: Synthesis and Reactivity","Organometallics","2006","25","7","1607","","10.1021/om050859v","","","0.7107","MoKα","","0.071","0.0711","","0.1167","","0.1167","","","","","","3.661","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074753","9.477","0.001","20.539","0.002","18.039","0.002","90","0.001","94.124","0.002","90","0.001","3502.2","0.6","141.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl4 N2 P Rh Si -","- C38 H32 Cl4 N2 P Rh Si -","- C152 H128 Cl16 N8 P4 Rh4 Si4 -","4","1","","Sangtrirutnugul, Preeyanuch; Stradiotto, Mark; Tilley, T. Don","Rhodium Complexes Containing a Tridentate Bis(8-quinolyl)methylsilyl Ligand: Synthesis and Reactivity","Organometallics","2006","25","7","1607","","10.1021/om050859v","","","0.7107","MoKα","","0.0494","0.0494","","0.056","","0.056","","","","","","1.206","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074754","15.259","0.0005","12.4368","0.0003","17.4895","0.0005","90","0.001","91.318","0.001","90","0.001","3318.16","0.17","140.2","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C27 H24 F6 N5 O6 Rh S2 Si -","- C27 H24 F6 N5 O6 Rh S2 Si -","- C108 H96 F24 N20 O24 Rh4 S8 Si4 -","4","1","","Sangtrirutnugul, Preeyanuch; Stradiotto, Mark; Tilley, T. Don","Rhodium Complexes Containing a Tridentate Bis(8-quinolyl)methylsilyl Ligand: Synthesis and Reactivity","Organometallics","2006","25","7","1607","","10.1021/om050859v","","","0.7107","MoKα","","0.0456","0.0456","","0.0472","","0.0472","","","","","","1.664","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074755","10.9926","0.0001","17.7159","0.0003","15.9508","0.0001","90","0.001","101.367","0.001","90","0.001","3045.39","0.06","147.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 N2 O Rh Si -","- C37 H37 N2 O Rh Si -","- C148 H148 N8 O4 Rh4 Si4 -","4","1","","Sangtrirutnugul, Preeyanuch; Stradiotto, Mark; Tilley, T. Don","Rhodium Complexes Containing a Tridentate Bis(8-quinolyl)methylsilyl Ligand: Synthesis and Reactivity","Organometallics","2006","25","7","1607","","10.1021/om050859v","","","0.7107","MoKα","","0.0334","0.0334","","0.0351","","0.0351","","","","","","1.326","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074756","8.081","0.002","19.357","0.004","14.929","0.003","90","","101.82","0.03","90","","2285.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H74 Al6 O4 Si4 -","- C24 H74 Al6 O4 Si4 -","- C48 H148 Al12 O8 Si8 -","2","0.5","","Veith, Michael; Frères, Jacqueline; Huch, Volker; Zimmer, Michael","Synthesis and Characterization of Novel Siloxyalanes","Organometallics","2006","25","8","1875","","10.1021/om0508637","","","0.71073","MoKα","","0.067","0.0535","","","0.1511","0.1615","","","","","","1.069","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074757","10.48","0.002","16.344","0.003","22.31","0.004","90","","90","","90","","3821.4","1.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H62 Al2 O4 Si4 -","- C24 H62 Al2 O4 Si4 -","- C96 H248 Al8 O16 Si16 -","4","0.5","","Veith, Michael; Frères, Jacqueline; Huch, Volker; Zimmer, Michael","Synthesis and Characterization of Novel Siloxyalanes","Organometallics","2006","25","8","1875","","10.1021/om0508637","","","0.71073","MoKα","","0.0802","0.0661","","","0.151","0.1621","","","","","","1.084","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074758","15.432","0.003","16.281","0.003","17.126","0.003","90","","115.36","0.03","90","","3888.2","1.6","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H39 Cl2 D6 N O3 Zr -","- C41 H45 Cl2 N O3 Zr -","- C164 H180 Cl8 N4 O12 Zr4 -","4","1","","Chan, Michael C. W.; Tam, Ka-Ho; Zhu, Nianyong; Chiu, Pauline; Matsui, Shigekazu","Synthesis, Structures, and Olefin Polymerization Characteristics of Group 4 Catalysts [Zr{(OAr)2py}Cl2(D)] (D = O-Donors, Cl[HPR3]) Supported by Tridentate Pyridine-2,6-bis(aryloxide) Ligands","Organometallics","2006","25","3","785","","10.1021/om050864z","","","0.71069","MoKα","","0.0583","0.0359","","","0.0921","0.1104","","","","","","0.986","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074759","10.743","0.002","18.631","0.004","19.868","0.004","81.32","0.03","81.24","0.03","78.01","0.03","3815.1","1.4","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.75 H43 Cl2 N O3 Zr -","- C41.75 H42.75 Cl2 N O3 Zr -","- C167 H171 Cl8 N4 O12 Zr4 -","4","2","","Chan, Michael C. W.; Tam, Ka-Ho; Zhu, Nianyong; Chiu, Pauline; Matsui, Shigekazu","Synthesis, Structures, and Olefin Polymerization Characteristics of Group 4 Catalysts [Zr{(OAr)2py}Cl2(D)] (D = O-Donors, Cl[HPR3]) Supported by Tridentate Pyridine-2,6-bis(aryloxide) Ligands","Organometallics","2006","25","3","785","","10.1021/om050864z","","","0.71073","MoKα","","0.0947","0.057","","","0.142","0.1605","","","","","","0.96","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074760","12.324","0.003","17.074","0.003","17.421","0.004","90","","96.72","0.03","90","","3640.5","1.4","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H47 Cl3 N O2 P Zr -","- C33 H47 Cl3 N O2 P Zr -","- C132 H188 Cl12 N4 O8 P4 Zr4 -","4","1","","Chan, Michael C. W.; Tam, Ka-Ho; Zhu, Nianyong; Chiu, Pauline; Matsui, Shigekazu","Synthesis, Structures, and Olefin Polymerization Characteristics of Group 4 Catalysts [Zr{(OAr)2py}Cl2(D)] (D = O-Donors, Cl[HPR3]) Supported by Tridentate Pyridine-2,6-bis(aryloxide) Ligands","Organometallics","2006","25","3","785","","10.1021/om050864z","","","0.71069","MoKα","","0.0619","0.0405","","","0.1037","0.1088","","","","","","0.998","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074761","18.376","0.003","18.376","0.003","29.187","0.006","90","","90","","90","","9856","3","301","2","301","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C54 H62 N2 O4 Zr -","- C54 H62 N2 O4 Zr -","- C432 H496 N16 O32 Zr8 -","8","0.25","","Chan, Michael C. W.; Tam, Ka-Ho; Zhu, Nianyong; Chiu, Pauline; Matsui, Shigekazu","Synthesis, Structures, and Olefin Polymerization Characteristics of Group 4 Catalysts [Zr{(OAr)2py}Cl2(D)] (D = O-Donors, Cl[HPR3]) Supported by Tridentate Pyridine-2,6-bis(aryloxide) Ligands","Organometallics","2006","25","3","785","","10.1021/om050864z","","","0.71073","MoKα","","0.0556","0.0355","","","0.0897","0.0935","","","","","","0.894","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074762","8.729","0.003","13.211","0.004","22.132","0.006","90","","95.75","0.02","90","","2539.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N3 O8 Pt -","- C23 H25 N3 O8 Pt -","- C92 H100 N12 O32 Pt4 -","4","1","","De Bo, Guillaume; Berthon-Gelloz, Guillaume; Tinant, Bernard; Markó, István E.","Hydrosilylation of Alkynes Mediated byN-Heterocyclic Carbene Platinum(0) Complexes","Organometallics","2006","25","8","1881","","10.1021/om050866j","","","0.71069","MoKα","","0.0412","0.0345","","","0.0938","0.0965","","","","","","1.057","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074763","12.603","0.004","15.801","0.005","15.393","0.005","90","","104.93","0.02","90","","2961.9","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N2 O8 Pt -","- C27 H36 N2 O8 Pt -","- C108 H144 N8 O32 Pt4 -","4","1","","De Bo, Guillaume; Berthon-Gelloz, Guillaume; Tinant, Bernard; Markó, István E.","Hydrosilylation of Alkynes Mediated byN-Heterocyclic Carbene Platinum(0) Complexes","Organometallics","2006","25","8","1881","","10.1021/om050866j","","","0.71069","MoKα","","0.0379","0.0355","","","0.0945","0.0963","","","","","","1.041","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074764","15.0739","0.0009","11.7336","0.0007","18.0498","0.0011","90","","92.778","0.001","90","","3188.7","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Br N12 O3 Re -","- C30 H24 Br N12 O3 Re -","- C120 H96 Br4 N48 O12 Re4 -","4","1","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand: Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes","Organometallics","2006","25","3","743","","10.1021/om0508684","","","0.71073","MoKα","","0.0286","0.0253","","","0.0625","0.0645","","","","","","1.058","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074765","22.5279","0.0012","12.8446","0.0007","25.4675","0.0014","90","","103.598","0.001","90","","7162.8","0.7","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Br N12 O4 Re -","- C33 H30 Br N12 O4 Re -","- C264 H240 Br8 N96 O32 Re8 -","8","2","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand: Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes","Organometallics","2006","25","3","743","","10.1021/om0508684","","","0.71073","MoKα","","0.0293","0.0243","","","0.0562","0.0581","","","","","","1.027","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074766","8.8952","0.0005","14.7907","0.0008","16.1834","0.0009","89.662","0.001","86.394","0.001","73.953","0.001","2042","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Br2 N12 O7 Re2 -","- C36 H30 Br2 N12 O7 Re2 -","- C72 H60 Br4 N24 O14 Re4 -","2","1","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand: Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes","Organometallics","2006","25","3","743","","10.1021/om0508684","","","0.71073","MoKα","","0.0486","0.041","","","0.0991","0.1031","","","","","","1.047","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074767","14.1204","0.0008","18.5671","0.0011","24.4197","0.0014","90","","90","","90","","6402.2","0.6","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H45 Br3 N19 O9 Re3 -","- C50 H45 Br3 N19 O9 Re3 -","- C200 H180 Br12 N76 O36 Re12 -","4","1","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand: Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes","Organometallics","2006","25","3","743","","10.1021/om0508684","","","0.71073","MoKα","","0.0249","0.0234","","","0.0551","0.0556","","","","","","1.062","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074768","10.6215","0.0005","14.1987","0.0007","36.1523","0.0017","90","","92.756","0.001","90","","5445.9","0.5","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H42 Br3 N12 O12 Re3 -","- C45 H42 Br3 N12 O12 Re3 -","- C180 H168 Br12 N48 O48 Re12 -","4","1","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand: Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes","Organometallics","2006","25","3","743","","10.1021/om0508684","","","0.71073","MoKα","","0.0492","0.0382","","","0.0858","0.0905","","","","","","1.044","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074769","13.2164","0.0008","14.1142","0.0009","19.163","0.0012","95.945","0.001","96.205","0.001","117.646","0.001","3099.6","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H51 Br3 N12 O13.5 Re3 -","- C49.5 H51 Br3 N12 O13.5 Re3 -","- C99 H102 Br6 N24 O27 Re6 -","2","1","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand: Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes","Organometallics","2006","25","3","743","","10.1021/om0508684","","","0.71073","MoKα","","0.0487","0.0389","","","0.0996","0.1048","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074770","10.463","0.0006","16.7987","0.0009","11.5739","0.0007","90","","94.684","0.005","90","","2027.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Cl2 Fe P2 Pd -","- C18 H28 Cl2 Fe P2 Pd -","- C72 H112 Cl8 Fe4 P8 Pd4 -","4","1","","Gusev, Oleg V.; Peganova, Tat'yana A.; Kalsin, Alexander M.; Vologdin, Nikolai V.; Petrovskii, Pavel V.; Lyssenko, Konstantin A.; Tsvetkov, Aleksey V.; Beletskaya, Irina P.","Palladium Complexes with Metallocene-Bridged Bidentate Diphosphine Ligands: Synthesis, Structure, and Catalytic Activity in Amination and Cross-Coupling Reactions","Organometallics","2006","25","11","2750","","10.1021/om050869w","","","0.71073","MoKα","","0.058","0.0451","","","0.0846","0.0881","","","","","","1.081","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074771","19.576","0.0016","12.9958","0.0017","18.3713","0.0016","90","","90","","90","","4673.8","0.8","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H50 Cl P2 Rh Ru S2 -","- C52 H50 Cl P2 Rh Ru S2 -","- C208 H200 Cl4 P8 Rh4 Ru4 S8 -","4","1","","Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki","Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex","Organometallics","2006","25","4","982","","10.1021/om050871n","","","0.71075","MoKα","","0.0771","0.0498","","","0.1063","0.117","","","","","","1.024","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074772","12.401","0.009","22.984","0.012","13.023","0.006","90","","113.77","0.04","90","","3397","4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 O2 P Rh Ru S2 -","- C36 H34 O2 P Rh Ru S2 -","- C144 H136 O8 P4 Rh4 Ru4 S8 -","4","1","","Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki","Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex","Organometallics","2006","25","4","982","","10.1021/om050871n","","","0.71075","MoKα","","0.1238","0.0534","","","0.0871","0.1039","","","","","","0.93","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074773","13.1118","0.0012","21.503","0.003","19.348","0.002","90","","94.862","0.005","90","","5435.4","1.1","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H59 P2 Rh Ru S2 Si -","- C57 H58 P2 Rh Ru S2 Si -","- C228 H232 P8 Rh4 Ru4 S8 Si4 -","4","2","","Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki","Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex","Organometallics","2006","25","4","982","","10.1021/om050871n","","","0.71075","MoKα","","0.0705","0.0517","","","0.1369","0.1484","","","","","","0.937","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074774","11.042","0.003","28.5","0.008","15.871","0.005","90","","92.8","0.02","90","","4989","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H58 P Rh Ru S2 -","- C59 H58 P Rh Ru S2 -","- C236 H232 P4 Rh4 Ru4 S8 -","4","1","","Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki","Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex","Organometallics","2006","25","4","982","","10.1021/om050871n","","","0.71075","MoKα","","0.1302","0.0713","","","0.1036","0.1181","","","","","","1.02","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074775","13.428","0.0014","13.4077","0.0017","13.45","0.002","95.065","0.005","100.779","0.005","108.421","0.005","2228.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H47 Rh Ru S2 -","- C53 H47 Rh Ru S2 -","- C106 H94 Rh2 Ru2 S4 -","2","1","","Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki","Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex","Organometallics","2006","25","4","982","","10.1021/om050871n","","","0.71075","MoKα","","0.0817","0.043","","","0.0925","0.1036","","","","","","0.966","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074776","12.0433","0.0006","23.0234","0.0011","19.3711","0.0012","90","","90.638","0.003","90","","5370.8","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H57 O P2 Rh Ru S2 -","- C62 H57 O P2 Rh Ru S2 -","- C248 H228 O4 P8 Rh4 Ru4 S8 -","4","1","","Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki","Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex","Organometallics","2006","25","4","982","","10.1021/om050871n","","","0.71075","MoKα","","0.0601","0.0356","","","0.0739","0.08","","","","","","1.001","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074777","8.594","0.009","13.63","0.02","8.87","0.01","90","","114.75","0.09","90","","944","2","200.2","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C26 H24 Ru -","- C52 H48 Ru -","- C104 H96 Ru2 -","2","0.5","","Shibasaki, Takao; Komine, Nobuyuki; Hirano, Masafumi; Komiya, Sanshiro","Synthesis of Mono-, Di-, and Triruthenium(0) Complexes Having a Triphenylene Ligand†","Organometallics","2006","25","2","523","","10.1021/om050875s","","","0.7107","MoKα","","","0.0774","","","","0.129","","","","","","1.335","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074778","19.756","0.001","20.68","0.001","18.302","0.001","90","","95.87","0.001","90","","7438.1","0.7","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H80 I2 O4 P4 S4 Tm2 -","- C66 H72 I2 O4 P4 S4 Tm2 -","- C264 H288 I8 O16 P16 S16 Tm8 -","4","1","","Cantat, Thibault; Jaroschik, Florian; Ricard, Louis; Le Floch, Pascal; Nief, François; Mézailles, Nicolas","Thulium Alkylidene Complexes: Synthesis, X-ray Structures, and Reactivity","Organometallics","2006","25","5","1329","1332","10.1021/om050877c","","","0.71069","MoKα","","0.07","0.0469","","","0.1257","0.1347","","","","","","1.004","","","","has coordinates,has disorder","209817","2020-10-21","18:00:00",""
"4074779","14.886","0.001","20.606","0.001","22.273","0.001","74.52","0.001","79.54","0.001","76.42","0.001","6348.4","0.6","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H72 Li O4 P4 S4 Tm -","- C66 H72 Li O4 P4 S4 Tm -","- C264 H288 Li4 O16 P16 S16 Tm4 -","4","2","","Cantat, Thibault; Jaroschik, Florian; Ricard, Louis; Le Floch, Pascal; Nief, François; Mézailles, Nicolas","Thulium Alkylidene Complexes: Synthesis, X-ray Structures, and Reactivity","Organometallics","2006","25","5","1329","1332","10.1021/om050877c","","","0.71069","MoKα","","0.0961","0.071","","","0.2043","0.2227","","","","","","1.056","","","","has coordinates","209817","2020-10-21","18:00:00",""
"4074780","26.443","0.001","14.688","0.001","17.092","0.001","90","","98.68","0.001","90","","6562.4","0.6","230","0.1","230","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H72 Li O4 P4 S4 Tm -","- C66 H72 Li O4 P4 S4 Tm -","- C264 H288 Li4 O16 P16 S16 Tm4 -","4","0.5","","Cantat, Thibault; Jaroschik, Florian; Ricard, Louis; Le Floch, Pascal; Nief, François; Mézailles, Nicolas","Thulium Alkylidene Complexes: Synthesis, X-ray Structures, and Reactivity","Organometallics","2006","25","5","1329","1332","10.1021/om050877c","","","0.71069","MoKα","","0.0535","0.0388","","","0.1002","0.1075","","","","","","1.038","","","","has coordinates","209817","2020-10-21","18:00:00",""
"4074781","20.075","0.001","11.607","0.001","29.648","0.001","90","","108.351","0.001","90","","6557","0.7","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H68 Li O3 P4 S4 Tm -","- C80 H68 Li O3 P4 S4 Tm -","- C320 H272 Li4 O12 P16 S16 Tm4 -","4","0.5","","Cantat, Thibault; Jaroschik, Florian; Ricard, Louis; Le Floch, Pascal; Nief, François; Mézailles, Nicolas","Thulium Alkylidene Complexes: Synthesis, X-ray Structures, and Reactivity","Organometallics","2006","25","5","1329","1332","10.1021/om050877c","","","0.71069","MoKα","","0.0458","0.0417","","","0.1253","0.1276","","","","","","1.192","","","","has coordinates","209817","2020-10-21","18:00:00",""
"4074782","8.9534","0.0003","19.0468","0.0007","14.3058","0.0005","90","","91.927","0.001","90","","2438.24","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 N2 Zr -","- C26 H40 N2 Zr -","- C104 H160 N8 Zr4 -","4","1","","Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium","Organometallics","2006","25","2","531","","10.1021/om0508785","","","0.71073","MoKα","","0.0659","0.0344","","","0.0791","0.0905","","","","","","1.078","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074783","9.2143","0.0008","20.6091","0.0018","16.3294","0.0014","90","","90","","90","","3100.9","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H46 N2 Zr -","- C34 H46 N2 Zr -","- C136 H184 N8 Zr4 -","4","1","","Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium","Organometallics","2006","25","2","531","","10.1021/om0508785","","","0.71073","MoKα","","0.0711","0.0384","","","0.083","0.0931","","","","","","1.028","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074784","19.1742","0.0007","16.8611","0.0006","19.2395","0.0007","90","","103.306","0.001","90","","6053.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 N2 Zr -","- C34 H46 N2 Zr -","- C272 H368 N16 Zr8 -","8","2","","Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium","Organometallics","2006","25","2","531","","10.1021/om0508785","","","0.71073","MoKα","","0.0826","0.0381","","","0.0874","0.1029","","","","","","1.022","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074785","18.6067","0.0007","9.7437","0.0004","34.78","0.0013","90","","90","","90","","6305.5","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H98 Cl2 N4 Sn2 Zr2 -","- C58 H98 Cl2 N4 Sn2 Zr2 -","- C232 H392 Cl8 N16 Sn8 Zr8 -","4","1","","Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium","Organometallics","2006","25","2","531","","10.1021/om0508785","","","0.71073","MoKα","","0.0769","0.0397","","","0.0905","0.1068","","","","","","1.074","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074786","12.778","0.0009","17.6163","0.0012","14.8275","0.001","90","","109.663","0.001","90","","3143.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H49 Br0.09 Cl0.91 N2 Si Zr -","- C29 H49 Br0.1 Cl0.9 N2 Si Zr -","- C116 H196 Br0.4 Cl3.6 N8 Si4 Zr4 -","4","1","","Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium","Organometallics","2006","25","2","531","","10.1021/om0508785","","","0.71073","MoKα","","0.0637","0.0449","","","0.1191","0.1317","","","","","","1.089","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074787","8.7602","0.0003","9.7735","0.0004","15.5841","0.0006","79.224","0.001","82.016","0.001","69.527","0.001","1224.03","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 N2 Zr -","- C26 H42 N2 Zr -","- C52 H84 N4 Zr2 -","2","1","","Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium","Organometallics","2006","25","2","531","","10.1021/om0508785","","","0.71073","MoKα","","0.0404","0.0304","","","0.0772","0.0816","","","","","","1.073","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074788","16.539","0.003","27.592","0.005","10.484","0.002","90","","91.234","0.003","90","","4783.2","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H38 Br N3 O2 Ti -","- C19 H38 Br N3 O2 Ti -","- C152 H304 Br8 N24 O16 Ti8 -","8","2","","Mungur, Shaheed A.; Blake, Alexander J.; Wilson, Claire; McMaster, Jonathan; Arnold, Polly L.","Titanium(IV) Alkoxy-N-heterocyclic Carbenes: Structural Preferences of Alkoxide and Bromide Adducts","Organometallics","2006","25","8","1861","","10.1021/om0508839","","","0.71073","MoKα","","0.0843","0.0516","","","0.121","0.137","","","","","","1.02","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074789","11.9167","0.0012","16.839","0.002","17.3","0.002","86.068","0.002","78.108","0.002","70.852","0.002","3209.1","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H49 Br N4 O2.5 Ti -","- C24.5 H45 Br N4 O2.5 Ti -","- C98 H180 Br4 N16 O10 Ti4 -","4","2","","Mungur, Shaheed A.; Blake, Alexander J.; Wilson, Claire; McMaster, Jonathan; Arnold, Polly L.","Titanium(IV) Alkoxy-N-heterocyclic Carbenes: Structural Preferences of Alkoxide and Bromide Adducts","Organometallics","2006","25","8","1861","","10.1021/om0508839","","","0.71073","MoKα","","0.106","0.0641","","","0.166","0.191","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074790","11.1961","0.001","14.3501","0.0013","12.3751","0.0011","90","","103.432","0.008","90","","1933.9","0.3","140","2","140","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 B Cl F4 N4 O P Ru -","- C14 H25 B Cl F4 N4 O P Ru -","- C56 H100 B4 Cl4 F16 N16 O4 P4 Ru4 -","4","1","","Scolaro, Claudine; Geldbach, Tilmann J.; Rochat, Sébastien; Dorcier, Antoine; Gossens, Christian; Bergamo, Alberta; Cocchietto, Moreno; Tavernelli, Ivano; Sava, Gianni; Rothlisberger, Ursula; Dyson, Paul J.","Influence of Hydrogen-Bonding Substituents on the Cytotoxicity of RAPTA Compounds","Organometallics","2006","25","3","756","","10.1021/om0508841","","","0.71073","MoKα","","0.0601","0.0484","","","0.115","0.1191","","","","","","1.204","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074791","9.3435","0.0004","13.4875","0.0007","39.71","0.002","90","","90","","90","","5004.3","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H68 B Cl2 F4 Ir O3 P2 -","- C51 H68 B Cl2 F4 Ir O3 P2 -","- C204 H272 B4 Cl8 F16 Ir4 O12 P8 -","4","1","","Vargas, Sergio; Rubio, Miguel; Suárez, Andrés; del Río, Diego; Álvarez, Eleuterio; Pizzano, Antonio","Iridium Complexes with Phosphine−Phosphite Ligands. Structural Aspects and Application in the Catalytic Asymmetric Hydrogenation of N-Aryl Imines","Organometallics","2006","25","4","961","","10.1021/om050885t","","","0.71073","MoKα","","0.0404","0.0363","","","0.0883","0.0904","","","","","","1.032","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074792","12.7635","0.0003","13.3844","0.0003","26.0174","0.0007","90","","98.694","0.001","90","","4393.53","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H54 Cl Ir O4 P2 -","- C47 H54 Cl Ir O4 P2 -","- C188 H216 Cl4 Ir4 O16 P8 -","4","1","","Vargas, Sergio; Rubio, Miguel; Suárez, Andrés; del Río, Diego; Álvarez, Eleuterio; Pizzano, Antonio","Iridium Complexes with Phosphine−Phosphite Ligands. Structural Aspects and Application in the Catalytic Asymmetric Hydrogenation of N-Aryl Imines","Organometallics","2006","25","4","961","","10.1021/om050885t","","","0.71073","MoKα","","0.0275","0.0227","","","0.0539","0.0555","","","","","","1.058","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074793","12.366","0.002","16.214","0.003","21.347","0.004","96.191","0.003","106.453","0.003","91.839","0.003","4072.1","1.3","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C69.16 H89.73 Al2 Cl1.34 Cr N2 P4 -","- C69.16 H85.23 Al2 Cl1.34 Cr N2 P4 -","- C138.32 H170.46 Al4 Cl2.68 Cr2 N4 P8 -","2","1","","Jabri, Amir; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Isolation of a Cationic Chromium(II) Species in a Catalytic System for Ethylene Tri- and Tetramerization","Organometallics","2006","25","3","715","","10.1021/om050886l","","","0.71073","MoKα","","0.1041","0.0781","","","0.2015","0.2229","","","","","","1.035","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074794","9.0247","0.0003","12.194","0.0004","15.9219","0.0005","86.9435","0.0015","78.178","0.0015","89.2258","0.0011","1712.55","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Complex 3","","","- C36 H54 Mg N2 O -","- C36 H54 Mg N2 O -","- C72 H108 Mg2 N4 O2 -","2","1","","Sánchez-Barba, Luis F.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Ligand Transfer Reactions of Mixed-Metal Lanthanide/Magnesium Allyl Complexes with β-Diketimines: Synthesis, Structures, and Ring-Opening Polymerization Catalysis","Organometallics","2006","25","4","1012","","10.1021/om050892h","","","0.71073","MoKα","","0.132","0.0734","","","0.1365","0.1644","","","","","","1.051","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074795","18.1687","0.0005","18.507","0.0006","14.0704","0.0004","90","","121.97","0.002","90","","4013.6","0.2","180","1","180","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","Complex 6","","","- C82 H132 Mg2 N4 O8 -","- C82 H100 Mg2 N4 O8 -","- C164 H200 Mg4 N8 O16 -","2","0.25","","Sánchez-Barba, Luis F.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Ligand Transfer Reactions of Mixed-Metal Lanthanide/Magnesium Allyl Complexes with β-Diketimines: Synthesis, Structures, and Ring-Opening Polymerization Catalysis","Organometallics","2006","25","4","1012","","10.1021/om050892h","","","0.71073","Mo-Kα","","0.0949","0.0644","","","0.1488","0.1607","","","","","","1.048","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074796","23.842","0.005","26.615","0.005","26.493","0.005","90","","109.95","0.03","90","","15802","6","180","1","180","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex 8","","","- C76.88 H107 Cl4 N4 O Y2 -","- C76.75 H102 Cl4 N4 O Y2 -","- C614 H816 Cl32 N32 O8 Y16 -","8","2","","Sánchez-Barba, Luis F.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Ligand Transfer Reactions of Mixed-Metal Lanthanide/Magnesium Allyl Complexes with β-Diketimines: Synthesis, Structures, and Ring-Opening Polymerization Catalysis","Organometallics","2006","25","4","1012","","10.1021/om050892h","","","0.71073","Mo-Kα","","0.0946","0.0669","","","0.1745","0.1906","","","","","","1.067","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074797","12.8586","0.0012","17.7064","0.0017","19.2653","0.0018","90","","96.674","0.002","90","","4356.6","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H138 K2 N10 O4 Si8 Y2 -","- C58 H138 K2 N10 O4 Si8 Y2 -","- C116 H276 K4 N20 O8 Si16 Y4 -","2","0.5","","Arnold, Polly L.; Liddle, Stephen T.","Deprotonation of N-Heterocyclic Carbenes to Afford Heterobimetallic Organolanthanide Complexes","Organometallics","2006","25","6","1485","1491","10.1021/om050895u","","","0.71073","MoKα","","0.0594","0.0366","","","0.0892","0.0978","","","","","","1.005","","","","has coordinates","209805","2020-10-21","18:00:00",""
"4074798","12.897","0.002","17.735","0.003","19.302","0.003","90","","96.474","0.002","90","","4386.8","1.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H138 K2 N10 O4 Si8 Sm2 -","- C58 H138 K2 N10 O4 Si8 Sm2 -","- C116 H276 K4 N20 O8 Si16 Sm4 -","2","0.5","","Arnold, Polly L.; Liddle, Stephen T.","Deprotonation of N-Heterocyclic Carbenes to Afford Heterobimetallic Organolanthanide Complexes","Organometallics","2006","25","6","1485","1491","10.1021/om050895u","","","0.71073","MoKα","","0.0601","0.0366","","","0.0896","0.106","","","","","","1.102","","","","has coordinates","209805","2020-10-21","18:00:00",""
"4074799","26.899","0.007","11.136","0.003","21.979","0.006","90","","112.692","0.004","90","","6074","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H97 N8 O2 Si4 Sm2 -","- C40 H90 N8 O2 Si4 Sm2 -","- C160 H360 N32 O8 Si16 Sm8 -","4","0.5","","Arnold, Polly L.; Liddle, Stephen T.","Deprotonation of N-Heterocyclic Carbenes to Afford Heterobimetallic Organolanthanide Complexes","Organometallics","2006","25","6","1485","1491","10.1021/om050895u","","","0.71073","MoKα","","0.0536","0.0298","","","0.068","0.0739","","","","","","0.948","","","","has coordinates","209805","2020-10-21","18:00:00",""
"4074800","10.638","0.004","11.351","0.003","12.251","0.004","97.89","0.02","110.574","0.008","91.28","0.02","1367.9","0.8","213.2","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H27 B F4 N3 P Pd2 -","- C27 H22 B F4 N3 P Pd2 -","- C54 H44 B2 F8 N6 P2 Pd4 -","2","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes","Organometallics","2006","25","6","1359","1367","10.1021/om050897e","","","0.7107","MoKα","","","0.0658","","","","0.1746","","","","","","0.882","","","","has coordinates","209811","2020-10-21","18:00:00",""
"4074801","12.795","0.003","13.033","0.004","14.044","0.005","99.43","0.01","103.25","0.02","91.89","0.02","2242.7","1.2","213","","213","","","","","","","","","9","P -1","-P 1","2","","","","- C39 H45 B Cl4 F4 Ir N3 P Rh -","- C39 H41 B Cl4 F4 Ir N3 P Rh -","- C78 H82 B2 Cl8 F8 Ir2 N6 P2 Rh2 -","2","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes","Organometallics","2006","25","6","1359","1367","10.1021/om050897e","","","0.7107","MoKα","","","0.0907","","","","0.266","","","","","","1.983","","","","has coordinates","209811","2020-10-21","18:00:00",""
"4074802","9.99","0.004","13.054","0.003","22.616","0.008","90.35","0.02","99.879","0.007","96.11","0.02","2888.2","1.7","213","","213","","","","","","","","","9","P -1","-P 1","2","","","","- C51 H36 B2 Cl2 F8 N6 O9 P2 Rh4 -","- C51 H36 B2 Cl2 F8 N6 O9 P2 Rh4 -","- C102 H72 B4 Cl4 F16 N12 O18 P4 Rh8 -","2","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes","Organometallics","2006","25","6","1359","1367","10.1021/om050897e","","","0.7107","MoKα","","","0.0866","","","","0.2329","","","","","","1.247","","","","has coordinates","209811","2020-10-21","18:00:00",""
"4074803","9.239","0.007","9.09","0.01","36.77","0.02","90","","96.01","0.09","90","","3071","4","298","","298","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 B Cl2 F4 Ir N3 O2 P Pd -","- C27 H22 B Cl2 F4 Ir N3 O2 P Pd -","- C108 H88 B4 Cl8 F16 Ir4 N12 O8 P4 Pd4 -","4","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes","Organometallics","2006","25","6","1359","1367","10.1021/om050897e","","","0.7107","MoKα","","","0.0438","","","","0.1599","","","","","","1.02","","","","has coordinates","209811","2020-10-21","18:00:00",""
"4074804","13.235","0.007","14.245","0.009","19.86","0.01","105.27","0.02","106.6","0.02","98.09","0.02","3366","3","213","","213","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H48 B2 Cl12 F8 Ir2 N2 O4 P2 -","- C52 H48 B2 Cl12 F8 Ir2 N2 O4 P2 -","- C104 H96 B4 Cl24 F16 Ir4 N4 O8 P4 -","2","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes","Organometallics","2006","25","6","1359","1367","10.1021/om050897e","","","0.7107","MoKα","","","0.0622","","","","0.1691","","","","","","1.033","","","","has coordinates","209811","2020-10-21","18:00:00",""
"4074805","12.835","0.009","14.471","0.008","15.382","0.008","63.1","0.02","89.46","0.03","86.39","0.03","2542","3","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H50 Ir N2 O2 P2 Rh -","- C58 H27 Ir N2 O2 P2 Rh -","- C116 H54 Ir2 N4 O4 P4 Rh2 -","2","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes","Organometallics","2006","25","6","1359","1367","10.1021/om050897e","","","0.7107","MoKα","","","0.0703","","","","0.1817","","","","","","0.943","","","","has coordinates","209811","2020-10-21","18:00:00",""
"4074806","13.491","0.008","11.856","0.003","17.317","0.01","90","","102.72","0.01","90","","2702","2","213","","213","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N3 O2 P Rh2 Si -","- C28 H26 N3 O2 P Rh2 Si -","- C112 H104 N12 O8 P4 Rh8 Si4 -","4","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes","Organometallics","2006","25","6","1359","1367","10.1021/om050897e","","","0.7107","MoKα","","","0.0711","","","","0.2125","","","","","","0.748","","","","has coordinates","209811","2020-10-21","18:00:00",""
"4074807","26.9672","0.0007","8.8779","0.0002","18.9608","0.0005","90","","107.046","0.001","90","","4340.03","0.19","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N2 Pt -","- C25 H25 N2 Pt -","- C200 H200 N16 Pt8 -","8","2","","Lersch, Martin; Dalhus, Bjørn; Bercaw, John E.; Labinger, Jay; Tilset, Mats","Improved One-Pot Synthesis of Mixed Methyl−Aryl Platinum(II) Diimine Complexes","Organometallics","2006","25","4","1055","","10.1021/om050899z","","","0.71073","MoKα","","0.0618","0.0499","","","0.1174","0.1216","","","","","","1.194","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074808","11.341","0.001","14.451","0.001","18.657","0.001","85.269","0.001","77.11","0.001","73.935","0.001","2863.5","0.4","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H55 Cl4 Ir P4 S2 -","- C62 H55 Cl4 Ir P4 S2 -","- C124 H110 Cl8 Ir2 P8 S4 -","2","1","","Doux, Marjolaine; Ricard, Louis; Le Floch, Pascal; Jean, Yves","Addition of H2 on (Sulfur, Phosphorus, Sulfur)-Pincer-Based Rhodium(I), Iridium(I), Palladium(II), and Platinum(II) Complexes: Reactivity and Regioselectivity","Organometallics","2006","25","5","1101","1111","10.1021/om050900u","","","0.71069","MoKα","","0.0356","0.0281","","","0.064","0.0664","","","","","","1.018","","","","has coordinates,has disorder","209879","2020-10-21","18:00:00",""
"4074809","11.0398","0.0009","13.6317","0.0007","21.2557","0.0012","90","","95.788","0.003","90","","3182.5","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 Hf2 N2 -","- C36 H52 Hf2 N2 -","- C144 H208 Hf8 N8 -","4","0.5","","Bernskoetter, Wesley H.; Olmos, Andrea V.; Lobkovsky, Emil; Chirik, Paul J.","N2Hydrogenation Promoted by a Side-On Bound Hafnocene Dinitrogen Complex","Organometallics","2006","25","4","1021","","10.1021/om0509037","","","0.71073","MoKα","","0.1028","0.0351","","","0.0749","0.0944","","","","","","0.903","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074810","22.6682","0.0013","24.2123","0.0008","24.2123","0.0008","90","","90","","90","","13288.9","1","173","2","173","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C36 H56 Hf2 N2 -","- C36 H56 Hf2 N2 -","- C576 H896 Hf32 N32 -","16","0.5","","Bernskoetter, Wesley H.; Olmos, Andrea V.; Lobkovsky, Emil; Chirik, Paul J.","N2Hydrogenation Promoted by a Side-On Bound Hafnocene Dinitrogen Complex","Organometallics","2006","25","4","1021","","10.1021/om0509037","","","0.71073","MoKα","","0.0459","0.0249","","","0.0525","0.057","","","","","","1.015","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074811","9.0672","0.0014","10.3723","0.0016","11.6987","0.0018","99.221","0.002","95.381","0.002","105.264","0.002","1037","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H35 Os P -","- C23 H35 Os P -","- C46 H70 Os2 P2 -","2","1","","Esteruelas, Miguel A.; González, Ana I.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique","Preparation of Half-Sandwich Osmium-Allyl Complexes by Consecutive C−C Bond Formation and C−H Bond Activation Reactions","Organometallics","2006","25","3","693","","10.1021/om050907b","","","0.71073","MoKα","","0.0181","0.0174","","","0.0418","0.0421","","","","","","1.11","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074812","10.2094","0.0013","12.8248","0.0017","17.944","0.002","90","","96.363","0.002","90","","2335","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H36 B F4 Os P -","- C23 H36 B F4 Os P -","- C92 H144 B4 F16 Os4 P4 -","4","1","","Esteruelas, Miguel A.; González, Ana I.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique","Preparation of Half-Sandwich Osmium-Allyl Complexes by Consecutive C−C Bond Formation and C−H Bond Activation Reactions","Organometallics","2006","25","3","693","","10.1021/om050907b","","","0.71073","MoKα","","0.0371","0.0271","","","0.0591","0.0608","","","","","","0.974","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074813","9.615","0.002","13.811","0.003","17.423","0.004","85.988","0.004","75.399","0.005","78.292","0.005","2191.9","0.8","173","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.5 H59 B Cl Os P -","- C48.5 H59 B Cl Os P -","- C97 H118 B2 Cl2 Os2 P2 -","2","1","","Esteruelas, Miguel A.; González, Ana I.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique","Preparation of Half-Sandwich Osmium-Allyl Complexes by Consecutive C−C Bond Formation and C−H Bond Activation Reactions","Organometallics","2006","25","3","693","","10.1021/om050907b","","","0.71073","MoKα","","0.1884","0.0598","","","0.1234","0.1464","","","","","","0.664","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074814","13.229","0.0008","15.9825","0.001","18.6367","0.0012","90","","90","","90","","3940.4","0.4","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H31 Au N P -","- C19 H31 Au N P -","- C152 H248 Au8 N8 P8 -","8","1","","Wile, Bradley M.; Burford, Richard J.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Neutral and Cationic Platinum(II) Complexes Supported by a P,N-Functionalized Indene Ligand: Structural and Reactivity Comparisons with a Related Gold(III) Zwitterion","Organometallics","2006","25","4","1028","","10.1021/om050910v","","","0.71073","MoKα","","0.0309","0.0219","","","0.0532","0.0585","","","","","","1.016","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074815","13.3126","0.0011","16.7227","0.0014","18.1608","0.0015","90","","90","","90","","4043","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H32 N P Pt -","- C19 H32 N P Pt -","- C152 H256 N8 P8 Pt8 -","8","1","","Wile, Bradley M.; Burford, Richard J.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Neutral and Cationic Platinum(II) Complexes Supported by a P,N-Functionalized Indene Ligand: Structural and Reactivity Comparisons with a Related Gold(III) Zwitterion","Organometallics","2006","25","4","1028","","10.1021/om050910v","","","0.71073","MoKα","","0.0371","0.0257","","","0.0596","0.065","","","","","","1.06","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074816","17.2031","0.0009","14.297","0.0007","32.2154","0.0016","90","","90","","90","","7923.5","0.7","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H58 B Cl F4 N2 P2 Pt2 -","- C36 H58 B Cl F4 N2 P2 Pt2 -","- C288 H464 B8 Cl8 F32 N16 P16 Pt16 -","8","1","","Wile, Bradley M.; Burford, Richard J.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Neutral and Cationic Platinum(II) Complexes Supported by a P,N-Functionalized Indene Ligand: Structural and Reactivity Comparisons with a Related Gold(III) Zwitterion","Organometallics","2006","25","4","1028","","10.1021/om050910v","","","0.71073","MoKα","","0.0584","0.0492","","","0.1129","0.1198","","","","","","1.298","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074817","9.4505","0.0006","18.1064","0.0011","14.4908","0.0009","90","","92.359","0.001","90","","2477.5","0.3","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 B F4 N P Pt S -","- C20 H35 B F4 N P Pt S -","- C80 H140 B4 F16 N4 P4 Pt4 S4 -","4","1","","Wile, Bradley M.; Burford, Richard J.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Neutral and Cationic Platinum(II) Complexes Supported by a P,N-Functionalized Indene Ligand: Structural and Reactivity Comparisons with a Related Gold(III) Zwitterion","Organometallics","2006","25","4","1028","","10.1021/om050910v","","","0.71073","MoKα","","0.0249","0.0211","","","0.0524","0.0542","","","","","","1.068","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074818","13.9108","0.0005","22.5453","0.0006","23.4052","0.0007","90","","90","","90","","7340.4","0.4","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C88 H79 B2 N8 Y -","- C87.98 H78.98 B2 N8.02 Y -","- C351.92 H315.92 B8 N32.08 Y4 -","4","1","","Arndt, Stefan; Elvidge, Benjamin R.; Zeimentz, Peter M.; Spaniol, Thomas P.; Okuda, Jun","Formation of a Dicationic Yttrium η2-Pyridyl Complex from an Yttrium Methyl Dication by C−H Activation of Pyridine","Organometallics","2006","25","3","793","","10.1021/om0509140","","","0.71073","MoKα","","0.0858","0.0537","","","0.1204","0.1339","","","","","","1.062","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074819","10.373","0.002","9.943","0.002","11.265","0.002","90","","107.692","0.004","90","","1106.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 B P Si -","- C24 H28 B P Si -","- C48 H56 B2 P2 Si2 -","2","1","","Rodríguez, Lara-Isabel; Rossell, Oriol; Seco, Miquel; Grabulosa, Arnald; Muller, Guillermo; Rocamora, Mercè","Carbosilane Dendrimers Peripherally Functionalized with P-Stereogenic Monophosphines. Catalytic Behavior of Their Allylpalladium Complexes in the Asymmetric Hydrovinylation of Styrene","Organometallics","2006","25","6","1368","1376","10.1021/om050915s","","","0.71073","MoKα","","0.0393","0.038","","","0.0972","0.0985","","","","","","1.082","","","","has coordinates","209835","2020-10-21","18:00:00",""
"4074820","11.1319","0.0004","12.8735","0.0005","13.5173","0.0005","90.692","0.001","96.436","0.001","98.44","0.001","1903.26","0.12","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H65 N Os P2 Si2 -","- C32 H65 N Os P2 Si2 -","- C64 H130 N2 Os2 P4 Si4 -","2","1","","Lee, Joo-Ho; Pink, Maren; Caulton, Kenneth G.","Triple Benzylic Dehydrogenation by Osmium in an Amide Ligand Environment","Organometallics","2006","25","4","802","","10.1021/om050916k","","","0.71073","MoKα","","0.0583","0.0391","","","0.0711","0.0771","","","","","","1.064","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074821","10.2333","0.0006","10.0512","0.0006","26.7733","0.0016","90","","99.833","0.001","90","","2713.4","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Fe3 N -","- C33 H33 Fe3 N -","- C132 H132 Fe12 N4 -","4","1","","Sun, Hao; Chen, Weizhong; Kaifer, Angel E.","A Simple Method Based on NMR Spectroscopy and Ultramicroelectrode Voltammetry for the Determination of the Number of Electrons in Faradaic Processes","Organometallics","2006","25","7","1828","","10.1021/om050917c","","","0.71073","MoKα","","0.0602","0.036","","","0.0777","0.0846","","","","","","1.02","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074822","10.6124","0.0006","10.6725","0.001","19.5201","0.0004","90","","98.8091","0.0004","90","","2184.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ClCo(gH)(dpgH)Py","trans-(glyoximato)(diphenylglyoximato)-chloro-(pyridine)-cobalt(III)","","- C21 H19 Cl Co N5 O4 -","- C21 H19 Cl Co N5 O4 -","- C84 H76 Cl4 Co4 N20 O16 -","4","1","","Gupta, B. D.; Yamuna, R.; Mandal, Debaprasad","Cobaloximes with Mixed Dioximes of Glyoxime and Diphenylglyoxime: Synthesis, Characterization, CV, X-ray Studies, and Crystal Packing","Organometallics","2006","25","3","706","","10.1021/om050919x","","","0.7107","MoKα","","0.0811","0.0439","","","0.1155","0.1314","","","","","","1.076","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074823","24.9461","0.0013","11.6249","0.0006","15.6026","0.0008","90","","101.136","0.001","90","","4439.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CH3CH2Co(gH)(dpgH)Py","trans-(glyoximato)(diphenylglyoximato)-ethyl-(pyridine)-cobalt(III)","","- C23 H24 Co N5 O4 -","- C23 H24 Co N5 O4 -","- C184 H192 Co8 N40 O32 -","8","2","","Gupta, B. D.; Yamuna, R.; Mandal, Debaprasad","Cobaloximes with Mixed Dioximes of Glyoxime and Diphenylglyoxime: Synthesis, Characterization, CV, X-ray Studies, and Crystal Packing","Organometallics","2006","25","3","706","","10.1021/om050919x","","","0.71073","MoKα","","0.0557","0.0452","","","0.1051","0.1104","","","","","","1.03","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074824","11.076","0.005","12.299","0.005","12.299","0.005","80.697","0.005","71.207","0.005","64.859","0.005","1435.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Oct-Co(gH)(dpgH)Py","trans-(glyoximato)(diphenylglyoximato)-octyl-(pyridine)-cobalt(III)","","- C29 H36 Co N5 O4 -","- C29 H36 Co N5 O4 -","- C58 H72 Co2 N10 O8 -","2","1","","Gupta, B. D.; Yamuna, R.; Mandal, Debaprasad","Cobaloximes with Mixed Dioximes of Glyoxime and Diphenylglyoxime: Synthesis, Characterization, CV, X-ray Studies, and Crystal Packing","Organometallics","2006","25","3","706","","10.1021/om050919x","","","0.71073","MoKα","","0.147","0.0727","","","0.1612","0.1985","","","","","","1.009","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074825","15.2841","0.0004","13.7542","0.0004","9.0503","0.0002","90","","90","","90","","1902.56","0.09","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl2 N5 Ni O -","- C14 H25 Cl2 N5 Ni O -","- C56 H100 Cl8 N20 Ni4 O4 -","4","1","","Ajellal, Noureddine; Kuhn, Maria C. A.; Boff, Andressa D. G.; Hörner, Manfredo; Thomas, Christophe M.; Carpentier, Jean-François; Casagrande, Osvaldo L.","Nickel Complexes Based on Tridentate Pyrazolyl Ligands for Highly Efficient Dimerization of Ethylene to 1-Butene","Organometallics","2006","25","5","1213","1216","10.1021/om050920w","","","0.71073","MoKα","","0.028","0.0221","","","0.0673","0.0882","","","","","","1.246","","","","has coordinates","209816","2020-10-21","18:00:00",""
"4074826","16.6469","0.0013","14.1423","0.0011","20.3512","0.0015","90","","99.095","0.001","90","","4731","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H50 Cl N4 O P2 Rh -","- C57 H50 Cl N4 O P2 Rh -","- C228 H200 Cl4 N16 O4 P8 Rh4 -","4","0.5","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.0282","0.0254","","","0.0675","0.0702","","","","","","1.029","","","","has coordinates","209818","2020-10-21","18:00:00",""
"4074827","21.86","0.003","9.3627","0.0012","16.269","0.002","90","","99.573","0.002","90","","3283.4","0.7","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 Cl3 F0 N2 O2 P Rh -","- C36 H31 Cl3 N2 O2 P Rh -","- C144 H124 Cl12 N8 O8 P4 Rh4 -","4","1","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.0737","0.0471","","","0.099","0.1072","","","","","","1.014","","","","has coordinates","209818","2020-10-21","18:00:00",""
"4074828","14.5786","0.0006","15.7776","0.0007","15.0241","0.0006","90","","115.443","0.001","90","","3120.6","0.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Cl N2 O5 P Rh -","- C31 H25 Cl N2 O4 P Rh -","- C124 H100 Cl4 N8 O16 P4 Rh4 -","4","1","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.0589","0.0431","","","0.1099","0.1155","","","","","","1","","","","has coordinates","209818","2020-10-21","18:00:00",""
"4074829","16.2011","0.0012","16.2011","0.0012","47.347","0.003","90","","90","","90","","12427.4","1.5","173","2","173","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C112 H84 Cl2 N8 O8 P4 Rh2 -","- C112 H84 Cl2 N8 O8 P4 Rh2 -","- C448 H336 Cl8 N32 O32 P16 Rh8 -","4","0.5","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.1216","0.0873","","","0.2333","0.2727","","","","","","1.031","","","","has coordinates","209818","2020-10-21","18:00:00",""
"4074830","25.768","0.002","13.8071","0.0012","33.211","0.003","90","","101.197","0.002","90","","11590.9","1.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C105 H82 Cl12 N8 O8 P4 Rh2 -","- C100 H72 Cl2 N8 O8 P4 Rh2 -","- C400 H288 Cl8 N32 O32 P16 Rh8 -","4","1","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.1111","0.0643","","","0.1586","0.1716","","","","","","0.988","","","","has coordinates","209818","2020-10-21","18:00:00",""
"4074831","9.5131","0.0003","10.7018","0.0004","13.63","0.0005","86.154","0.001","83.448","0.001","81.095","0.001","1360.23","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H28 Cl N2 O4 P Pd -","- C27 H28 Cl N2 O4 P Pd -","- C54 H56 Cl2 N4 O8 P2 Pd2 -","2","1","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.0356","0.034","","","0.091","0.0924","","","","","","1.009","","","","has coordinates,has disorder","209818","2020-10-21","18:00:00",""
"4074832","15.6677","0.001","21.4096","0.0014","32.52","0.002","90","","90","","90","","10908.5","1.2","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C56.75 H51.75 Cl5 N4 O4 P2 Pd -","- C51 H39 Cl N4 O4 P2 Pd -","- C408 H312 Cl8 N32 O32 P16 Pd8 -","8","1","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.0491","0.0406","","","0.1138","0.1182","","","","","","1.038","","","","has coordinates","209818","2020-10-21","18:00:00",""
"4074833","13.7411","0.0007","15.0842","0.0008","18.7681","0.0013","90","","93.375","0.003","90","","3883.4","0.4","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 F6 N Ni O2 P -","- C43 H40 F6 N Ni O2 P -","- C172 H160 F24 N4 Ni4 O8 P4 -","4","1","","Zhang, Lei; Brookhart, Maurice; White, Peter S.","Synthesis, Characterization, and Ethylene Polymerization Activities of Neutral Nickel(II) Complexes Derived from Anilino-Substituted Enone Ligands Bearing Trifluoromethyl and Trifluoroacetyl Substituents","Organometallics","2006","25","8","1868","","10.1021/om050931p","","","0.71073","MoKα","","0.1148","0.0464","","0.0639","0.0487","0.0487","","","","","","1.1337","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074834","9.5817","0.0004","10.9073","0.0005","10.945","0.0005","111.17","0.003","108.944","0.003","97.324","0.003","969.28","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 F6 N O2 -","- C19 H21 F6 N O2 -","- C38 H42 F12 N2 O4 -","2","1","","Zhang, Lei; Brookhart, Maurice; White, Peter S.","Synthesis, Characterization, and Ethylene Polymerization Activities of Neutral Nickel(II) Complexes Derived from Anilino-Substituted Enone Ligands Bearing Trifluoromethyl and Trifluoroacetyl Substituents","Organometallics","2006","25","8","1868","","10.1021/om050931p","","","0.71073","MolybdenumKα","","0.057","0.043","","0.054","0.051","","","","","2.89","2.89","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074835","7.719","0.0012","9.4574","0.0015","11.3047","0.0017","75.083","0.006","78.299","0.006","81.459","0.007","776.8","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 F6 N O2 -","- C15 H13 F6 N O2 -","- C30 H26 F12 N2 O4 -","2","1","","Zhang, Lei; Brookhart, Maurice; White, Peter S.","Synthesis, Characterization, and Ethylene Polymerization Activities of Neutral Nickel(II) Complexes Derived from Anilino-Substituted Enone Ligands Bearing Trifluoromethyl and Trifluoroacetyl Substituents","Organometallics","2006","25","8","1868","","10.1021/om050931p","","","0.71073","MolybdenumKα","","0.058","0.041","","0.053","0.05","","","","","2.37","2.37","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074836","25.493","0.0008","25.493","0.0008","12.085","0.0003","90","","90","","90","","7854","0.4","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","Compound X","","","- C80 H60 Cl2 O4 P4 Ru -","- C80 H60 Cl2 O4 P4 Ru -","- C320 H240 Cl8 O16 P16 Ru4 -","4","0.25","","Bernechea, María; Lugan, Noël; Gil, Belén; Lalinde, Elena; Lavigne, Guy","Six-Coordinate Alkynyldiphenylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Catalytic Activity as ROMP Initiators","Organometallics","2006","25","3","684","","10.1021/om050935u","","","0.71073","MoKα","","0.0932","0.0514","","","0.124","0.1441","","","","","","1.044","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074837","11.788","0.0001","23.197","0.0003","23.268","0.0003","90","","91.751","0.001","90","","6359.58","0.13","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MBN363","","","- C75 H67 Cl2 O P3 Ru -","- C75 H67 Cl2 O P3 Ru -","- C300 H268 Cl8 O4 P12 Ru4 -","4","1","","Bernechea, María; Lugan, Noël; Gil, Belén; Lalinde, Elena; Lavigne, Guy","Six-Coordinate Alkynyldiphenylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Catalytic Activity as ROMP Initiators","Organometallics","2006","25","3","684","","10.1021/om050935u","","","0.71073","MoKα","","0.0956","0.0522","","","0.1034","0.1188","","","","","","0.986","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074838","9.6818","0.0006","10.8761","0.0007","21.6405","0.0017","100.973","0.006","99.38","0.005","104.004","0.005","2117.7","0.3","208","2","208","2","","","","","","","","4","P -1","-P 1","2","","","","- C46.5 H64 Al N3 -","- C46.5 H60 Al N3 -","- C93 H120 Al2 N6 -","2","1","","Knijnenburg, Quinten; Smits, Jan M. M.; Budzelaar, Peter H. M.","Reaction of the Diimine Pyridine Ligand with Aluminum Alkyls: An Unexpectedly Complex Reaction","Organometallics","2006","25","4","1036","","10.1021/om050936m","","","0.71073","MoKα","","0.122","0.0701","","0.1802","0.1544","0.1802","","","1.032","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074839","12.8955","0.0015","16.811","0.003","17.1893","0.0019","87.81","0.019","79.367","0.011","89.436","0.018","3659.7","0.9","208","2","208","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H58 Al N3 -","- C39 H58 Al N3 -","- C156 H232 Al4 N12 -","4","2","","Knijnenburg, Quinten; Smits, Jan M. M.; Budzelaar, Peter H. M.","Reaction of the Diimine Pyridine Ligand with Aluminum Alkyls: An Unexpectedly Complex Reaction","Organometallics","2006","25","4","1036","","10.1021/om050936m","","","0.71073","MoKα","","0.1251","0.0749","","0.1431","0.1271","0.1431","","","1.099","","","1.099","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074840","10.653","0.003","16.9159","0.0015","21.622","0.003","90","","95.783","0.016","90","","3876.6","1.3","208","2","208","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C82 H124 Al2 N6 -","- C82 H124 Al2 N6 -","- C164 H248 Al4 N12 -","2","0.5","","Knijnenburg, Quinten; Smits, Jan M. M.; Budzelaar, Peter H. M.","Reaction of the Diimine Pyridine Ligand with Aluminum Alkyls: An Unexpectedly Complex Reaction","Organometallics","2006","25","4","1036","","10.1021/om050936m","","","0.71073","MoKα","","0.1022","0.0728","","0.1916","0.1737","0.1916","","","1.068","","","1.068","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074841","24.292","0.005","13.808","0.003","27.336","0.005","90","","102.06","0.02","90","","8967","3","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H51 Al2 Cl6 N3 -","- C40 H51 Al2 Cl6 N3 -","- C320 H408 Al16 Cl48 N24 -","8","2","","Knijnenburg, Quinten; Smits, Jan M. M.; Budzelaar, Peter H. M.","Reaction of the Diimine Pyridine Ligand with Aluminum Alkyls: An Unexpectedly Complex Reaction","Organometallics","2006","25","4","1036","","10.1021/om050936m","","","0.71073","MoKα","","0.1474","0.0968","","0.2422","0.2133","0.2422","","","1.042","","","1.042","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074842","13.1131","0.0015","14.23","0.002","22.256","0.003","90","","94.088","0.01","90","","4142.4","0.9","208","2","208","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H69 Al N3 -","- C44 H69 Al N3 -","- C176 H276 Al4 N12 -","4","1","","Knijnenburg, Quinten; Smits, Jan M. M.; Budzelaar, Peter H. M.","Reaction of the Diimine Pyridine Ligand with Aluminum Alkyls: An Unexpectedly Complex Reaction","Organometallics","2006","25","4","1036","","10.1021/om050936m","","","0.71073","MoKα","","0.2387","0.1456","","0.2946","0.2523","0.2946","","","1.131","","","1.131","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074843","7.777","0.0016","8.536","0.0017","8.748","0.0017","80.84","0.03","72.12","0.03","78.97","0.03","539.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 B O3 -","- C11 H15 B O3 -","- C22 H30 B2 O6 -","2","1","","Izmer, Vyatcheslav V.; Lebedev, Artyom Y.; Nikulin, Mikhail V.; Ryabov, Alexey N.; Asachenko, Andrei F.; Lygin, Alexander V.; Sorokin, Denis A.; Voskoboynikov, Alexander Z.","Palladium-Catalyzed Pathways to Aryl-Substituted Indenes: Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes","Organometallics","2006","25","5","1217","1229","10.1021/om050937e","","","0.71073","MoKα","","0.0649","0.0431","","","0.1197","0.1253","","","","","","1.045","","","","has coordinates","209814","2020-10-21","18:00:00",""
"4074844","9.961","0.003","13.732","0.004","16.317","0.004","66.73","0.004","82.08","0.005","74.276","0.004","1972.4","1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H42 Cl2 Si Zr -","- C49.5 H41.5 Cl2 Si Zr -","- C99 H83 Cl4 Si2 Zr2 -","2","1","","Izmer, Vyatcheslav V.; Lebedev, Artyom Y.; Nikulin, Mikhail V.; Ryabov, Alexey N.; Asachenko, Andrei F.; Lygin, Alexander V.; Sorokin, Denis A.; Voskoboynikov, Alexander Z.","Palladium-Catalyzed Pathways to Aryl-Substituted Indenes: Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes","Organometallics","2006","25","5","1217","1229","10.1021/om050937e","","","0.71073","MoKα","","0.0833","0.0565","","","0.1336","0.1506","","","","","","0.979","","","","has coordinates","209814","2020-10-21","18:00:00",""
"4074845","10.373","0.002","22.669","0.005","17.646","0.004","90","","97.91","0.03","90","","4109.9","1.6","112","2","112","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H50 Cl2 S2 Si Zr -","- C45 H50 Cl2 S2 Si Zr -","- C180 H200 Cl8 S8 Si4 Zr4 -","4","1","","Izmer, Vyatcheslav V.; Lebedev, Artyom Y.; Nikulin, Mikhail V.; Ryabov, Alexey N.; Asachenko, Andrei F.; Lygin, Alexander V.; Sorokin, Denis A.; Voskoboynikov, Alexander Z.","Palladium-Catalyzed Pathways to Aryl-Substituted Indenes: Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes","Organometallics","2006","25","5","1217","1229","10.1021/om050937e","","","0.71073","MoKα","","0.1253","0.0733","","","0.1493","0.1934","","","","","","0.888","","","","has coordinates","209814","2020-10-21","18:00:00",""
"4074846","18.171","0.007","17.315","0.007","15.119","0.006","90","","97.587","0.009","90","","4715","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H19 Cl N2 O15 Ru6 -","- C37.5 H19 Cl N2 O15 Ru6 -","- C150 H76 Cl4 N8 O60 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC Triple Bond","Organometallics","2006","25","6","1492","1499","10.1021/om050941q","","","0.71073","MoKα","","0.089","0.063","","","0.1485","0.1699","","","","","","1.05","","","","has coordinates","209868","2020-10-21","18:00:00",""
"4074847","17.567","0.004","12.218","0.003","18.911","0.004","90","","97.009","0.004","90","","4028.6","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H18 N2 O15 Ru6 -","- C37 H18 N2 O15 Ru6 -","- C148 H72 N8 O60 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC Triple Bond","Organometallics","2006","25","6","1492","1499","10.1021/om050941q","","","0.71073","MoKα","","0.0669","0.0498","","","0.1048","0.119","","","","","","1.073","","","","has coordinates","209868","2020-10-21","18:00:00",""
"4074848","12.5797","0.0001","31.0551","0.0004","12.7125","0.0002","90","","117.678","0.001","90","","4398.03","0.1","293","2","293","2","","","","","","","Synthesis. Crystallization from a CH~2~Cl~2~ / hexanes solution at room temperature by slow liquid-liquid difussion.","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H20 Cl2 N2 O15 Ru6 -","- C38 H20 Cl2 N2 O15 Ru6 -","- C152 H80 Cl8 N8 O60 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC Triple Bond","Organometallics","2006","25","6","1492","1499","10.1021/om050941q","","","1.5418","CuKα","","0.0331","0.0302","","","0.0784","0.0801","","","","","","1.083","","","","has coordinates","209868","2020-10-21","18:00:00",""
"4074849","13.978","0.006","15.679","0.007","18.975","0.008","90","","111.098","0.008","90","","3880","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H26 N2 O10 Ru5 -","- C39 H26 N2 O10 Ru5 -","- C156 H104 N8 O40 Ru20 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC Triple Bond","Organometallics","2006","25","6","1492","1499","10.1021/om050941q","","","0.71073","MoKα","","0.0438","0.0351","","","0.0699","0.077","","","","","","1.197","","","","has coordinates","209868","2020-10-21","18:00:00",""
"4074850","14.975","0.005","8.088","0.005","16.133","0.005","90","0.005","106.651","0.005","90","0.005","1872.1","1.4","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H24 B N4 Rh S2 -","- C16 H24 B N4 Rh S2 -","- C64 H96 B4 N16 Rh4 S8 -","4","1","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.","A Less Carbocentric View of Agostic Interactions: The Complexes [Rh(η4-cod){H2A(mt)2}] (A = B, C+; mt = Methimazolyl)","Organometallics","2006","25","9","2242","","10.1021/om050942i","","","0.71069","MoKα","","0.0376","0.027","","","0.064","0.0683","","","","","","1.042","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074851","10.121","0.005","10.293","0.005","10.705","0.005","91.279","0.005","93.935","0.005","112.567","0.005","1025.9","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H24 B F4 N4 Rh S2 -","- C17 H24 B F4 N4 Rh S2 -","- C34 H48 B2 F8 N8 Rh2 S4 -","2","1","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.","A Less Carbocentric View of Agostic Interactions: The Complexes [Rh(η4-cod){H2A(mt)2}] (A = B, C+; mt = Methimazolyl)","Organometallics","2006","25","9","2242","","10.1021/om050942i","","","0.71069","MoKα","","0.0425","0.0371","","","0.0984","0.1029","","","","","","1.041","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074852","10.188","0.005","10.712","0.005","11.05","0.005","87.467","0.005","87.69","0.005","67.582","0.005","1113.3","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H24 F6 N4 P Rh S2 -","- C17 H24 F6 N4 P Rh S2 -","- C34 H48 F12 N8 P2 Rh2 S4 -","2","1","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.","A Less Carbocentric View of Agostic Interactions: The Complexes [Rh(η4-cod){H2A(mt)2}] (A = B, C+; mt = Methimazolyl)","Organometallics","2006","25","9","2242","","10.1021/om050942i","","","0.71069","MoKα","","0.0592","0.0381","","","0.0879","0.0986","","","","","","1.004","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074853","12.988","0.003","11.315","0.002","15.295","0.003","90","","96.59","0.03","90","","2232.9","0.8","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl3 F6 N4 O2 P Rh S2 -","- C12 H13 Cl3 F6 N4 O2 P Rh S2 -","- C48 H52 Cl12 F24 N16 O8 P4 Rh4 S8 -","4","1","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.","A Less Carbocentric View of Agostic Interactions: The Complexes [Rh(η4-cod){H2A(mt)2}] (A = B, C+; mt = Methimazolyl)","Organometallics","2006","25","9","2242","","10.1021/om050942i","","","0.71073","MoKα","","0.0612","0.0365","","","0.0845","0.0971","","","","","","1.031","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074854","17.146","0.005","22.332","0.005","17.492","0.005","90","","106.448","0.005","90","","6424","3","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H62 B2 Cl2 F8 N12 Rh2 S4 -","- C55 H62 B2 Cl1.5 F8 N12 Rh2 S4 -","- C220 H248 B8 Cl6 F32 N48 Rh8 S16 -","4","0.5","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.","A Less Carbocentric View of Agostic Interactions: The Complexes [Rh(η4-cod){H2A(mt)2}] (A = B, C+; mt = Methimazolyl)","Organometallics","2006","25","9","2242","","10.1021/om050942i","","","0.71069","MoKα","","0.0682","0.0461","","","0.1202","0.1336","","","","","","1.034","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074855","18.004","0.003","12.8101","0.0018","26.044","0.004","90","","108.826","0.002","90","","5685.3","1.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H58 Cl N Ni P2 -","- C66 H58 Cl N Ni P2 -","- C264 H232 Cl4 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.1454","0.0543","","","0.1261","0.1748","","","","","","1.018","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074856","17.1579","0.0004","9.4672","0.0002","22.0701","0.0006","90","","110.489","0.0009","90","","3358.22","0.14","298","","","","","","","","","","Local laboratory","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H37 N Ni P2 -","- C40 H37 N Ni P2 -","- C160 H148 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0617","0.0419","","","0.1269","0.1418","","","","","","0.997","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074857","24.288","0.0007","9.732","0.0003","18.409","0.0007","90","","113.052","0.001","90","","4003.9","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 Br N Ni P2 -","- C48 H40 Br N Ni P2 -","- C192 H160 Br4 N4 Ni4 P8 -","4","0.5","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.1015","0.0654","","","0.1418","0.1803","","","","","","1.214","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074858","12.264","0.0001","9.971","0.0002","20.371","0.0003","90","","95.675","0.001","90","","2478.85","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl N Ni P2 -","- C24 H36 Cl N Ni P2 -","- C96 H144 Cl4 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0368","0.0324","","","0.0867","0.0956","","","","","","1.124","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074859","9.878","0.0003","18.387","0.0005","32.692","0.001","90","","90","","90","","5937.7","0.3","150","2","150","2","","","","","","","","5","F 2 d d","F -2d 2","43","","","","- C37 H31 N Ni P2 -","- C37 H28 N Ni P2 -","- C296 H224 N8 Ni8 P16 -","8","0.5","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0584","0.0529","","","0.1429","0.1539","","","","","","1.09","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074860","12.261","0.0003","9.935","0.0002","20.708","0.0007","90","","96.002","0.001","90","","2508.68","0.12","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 N Ni P2 -","- C25 H39 N Ni P2 -","- C100 H156 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0957","0.0583","","","0.133","0.1581","","","","","","1.098","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074861","18.285","0.0005","18.285","0.0005","10.402","0.0005","90","","90","","90","","3477.8","0.2","200","2","200","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C37 H55 N Ni P2 -","- C37 H52 N Ni P2 -","- C148 H208 N4 Ni4 P8 -","4","0.5","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","mokα","","0.1025","0.0609","","","0.1518","0.1931","","","","","","0.978","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074862","18.084","0.0003","8.585","0.0002","19.323","0.0004","90","","107.576","0.001","90","","2859.87","0.1","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H45 N Ni P2 -","- C28 H45 N Ni P2 -","- C112 H180 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0804","0.0532","","","0.1235","0.1491","","","","","","1.194","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074863","10.289","0.0001","10.924","0.0002","19.307","0.0003","82.516","0.001","76.763","0.001","63.967","0.001","1896.98","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H62 Li N O P2 -","- C40 H62 Li N O P2 -","- C80 H124 Li2 N2 O2 P4 -","2","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0574","0.0456","","","0.1183","0.1338","","","","","","1.053","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074864","10.9794","0.0002","15.7917","0.0004","20.8066","0.0004","96.604","0.002","94.5042","0.0014","90.539","0.0008","3571.9","0.13","298","","","","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C40 H39 N Ni P2 Si -","- C40 H39 N Ni P2 Si -","- C160 H156 N4 Ni4 P8 Si4 -","4","2","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.15","0.067","","0.197","0.162","0.162","","","2.854","3.008","3.008","2.962","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074865","17.558","0.001","7.936","0.001","23.267","0.001","90","","97.76","0.01","90","","3212.3","0.5","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O Zr -","- C18 H21 N O Zr -","- C144 H168 N8 O8 Zr8 -","8","2","","Cummings, Sarah A.; Radford, Robert; Erker, Gerhard; Kehr, Gerald; Fröhlich, Roland","Formation of a Dynamic η2(O,N)-Hydroxylaminato Zirconocene Complex by Nitrosoarene Insertion into a Zr−C σ-Bond","Organometallics","2006","25","4","839","","10.1021/om050946n","","","0.71073","MoKα","","0.0449","0.0315","","","0.0701","0.0754","","","","","","1.032","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074866","11.088","0.006","12.012","0.004","12.627","0.005","90","","101.95","0.04","90","","1645.3","1.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","penta(m2-hydrido)-tris(h5-pentamethylcyclopentadienyl)- molybdenum-diruthenium","","- C32 H54 Mo Ru2 -","- C32 H54 Mo Ru2 -","- C64 H108 Mo2 Ru4 -","2","1","","Ito, Jun-ichi; Shima, Takanori; Suzuki, Hiroharu","Synthesis of Group 8-Group 6 Heterotrimetallic Polyhydrido Complexes Having Only a C~5~Me~5~ Group as Auxiliary Ligand","Organometallics","2006","25","6","1333","1336","10.1021/om050963c","","","0.71069","MoKα","","0.052","0.0432","","","0.0982","0.1026","","","","","","1.05","","","","has coordinates","209845","2020-10-21","18:00:00",""
"4074867","11.116","0.008","12","0.01","12.624","0.01","90","","101.78","0.03","90","","1648","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","penta(m2-hydrido)-tris(h5-pentamethylcyclopentadienyl)- diruthenium-tungsten","","- C32 H54 Ru2 W -","- C32 H54 Ru2 W -","- C64 H108 Ru4 W2 -","2","1","","Ito, Jun-ichi; Shima, Takanori; Suzuki, Hiroharu","Synthesis of Group 8-Group 6 Heterotrimetallic Polyhydrido Complexes Having Only a C~5~Me~5~ Group as Auxiliary Ligand","Organometallics","2006","25","6","1333","1336","10.1021/om050963c","","","0.71069","MoKα","","0.0355","0.0347","","","0.0871","0.0879","","","","","","1.033","","","","has coordinates","209845","2020-10-21","18:00:00",""
"4074868","8.039","0.008","11.224","0.016","19.51","0.03","94.46","0.03","100.65","0.03","110.17","0.03","1605","4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","penta(m2-hydrido)-tris(h5-pentamethylcyclopentadienyl)-dihydrido- ruthenium-ditungsten","","- C31 H54 Ru W2 -","- C31 H47 Ru W2 -","- C62 H94 Ru2 W4 -","2","1","","Ito, Jun-ichi; Shima, Takanori; Suzuki, Hiroharu","Synthesis of Group 8-Group 6 Heterotrimetallic Polyhydrido Complexes Having Only a C~5~Me~5~ Group as Auxiliary Ligand","Organometallics","2006","25","6","1333","1336","10.1021/om050963c","","","0.71069","MoKα","","0.0781","0.0702","","","0.1934","0.2018","","","","","","1.055","","","","has coordinates","209845","2020-10-21","18:00:00",""
"4074869","11.6288","0.0006","15.7867","0.0008","21.058","0.0011","90","","90","","90","","3865.8","0.3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H44 B F4 N O P2 Pt -","- C44 H44 B F4 N O P2 Pt -","- C176 H176 B4 F16 N4 O4 P8 Pt4 -","4","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0517","0.0412","","","0.061","0.0632","","","","","","0.982","","","","has coordinates,has disorder","209819","2020-10-21","18:00:00",""
"4074870","11.6176","0.0005","8.5768","0.0004","13.8038","0.0006","90","","103.831","0.001","90","","1335.56","0.1","323","2","323","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 Cl2 O P2 Pt -","- C30 H28 Cl2 O P2 Pt -","- C60 H56 Cl4 O2 P4 Pt2 -","2","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0414","0.0355","","","0.0806","0.1098","","","","","","1.072","","","","has coordinates","209819","2020-10-21","18:00:00",""
"4074871","11.6519","0.0006","15.9927","0.0007","21.0891","0.001","90","","90","","90","","3929.9","0.3","223","2","223","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H44 B F4 N O2 P2 Pt -","- C44 H44 B F4 N O2 P2 Pt -","- C176 H176 B4 F16 N4 O8 P8 Pt4 -","4","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0729","0.0518","","","0.0891","0.0934","","","","","","1.033","","","","has coordinates","209819","2020-10-21","18:00:00",""
"4074872","21.6188","0.0005","21.6188","0.0005","54.139","0.003","90","","90","","120","","21913.1","1.4","223","2","223","2","","","","","","","","10","R 3 :H","R 3","146","","","","- C50 H47 B Cl F4 N O P2 Pt Se -","- C50 H47 B Cl F4 N O P2 Pt Se -","- C900 H846 B18 Cl18 F72 N18 O18 P36 Pt18 Se18 -","18","2","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0417","0.0345","","","0.0757","0.0785","","","","","","1.005","","","","has coordinates,has disorder","209819","2020-10-21","18:00:00",""
"4074873","11.6888","0.0007","15.9987","0.001","21.0154","0.0013","90","","90","","90","","3930","0.4","223","2","223","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H44 B F4 N O3 P2 Pt -","- C44 H44 B F4 N O3 P2 Pt -","- C176 H176 B4 F16 N4 O12 P8 Pt4 -","4","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0386","0.0345","","","0.0774","0.0791","","","","","","1.014","","","","has coordinates,has disorder","209819","2020-10-21","18:00:00",""
"4074874","10.4452","0.0006","18.4475","0.0012","42.096","0.002","90","","90","","90","","8111.4","0.8","293","2","293","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C44 H45 B F4 N2 O2 P2 Pt -","- C44 H45 B F4 N2 O2 P2 Pt -","- C352 H360 B8 F32 N16 O16 P16 Pt8 -","8","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.06","0.0451","","","0.0908","0.0961","","","","","","1.036","","","","has coordinates,has disorder","209819","2020-10-21","18:00:00",""
"4074875","18.733","0.002","15.9994","0.0017","19.453","0.002","90","","95.807","0.009","90","","5800.5","1.1","180","","180","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H11 B F15 V -","- C28 H11 B F15 V -","- C224 H88 B8 F120 V8 -","8","1","","Choukroun, Robert; Lorber, Christian; Vendier, Laure; Lepetit, Christine","Vanadocene-Mediated Ionization of Water in the Aqua Species [H2O·B(C6F5)3]: Structural Characterization of the Hydride and Hydroxide Complexes [Cp2V(μ-H)B(C6F5)3] and [Cp2V(μ-OH)B(C6F5)3]","Organometallics","2006","25","7","1551","","10.1021/om050965x","","","","MoKα","","0.1973","0.0493","","","0.1052","0.1344","","","","","","0.743","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074876","11.9753","0.0009","17.2725","0.0013","12.4722","0.0009","90","","103.225","0.006","90","","2511.4","0.3","180","","180","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H11 B F15 O V -","- C28 H11 B F15 O V -","- C112 H44 B4 F60 O4 V4 -","4","1","","Choukroun, Robert; Lorber, Christian; Vendier, Laure; Lepetit, Christine","Vanadocene-Mediated Ionization of Water in the Aqua Species [H2O·B(C6F5)3]: Structural Characterization of the Hydride and Hydroxide Complexes [Cp2V(μ-H)B(C6F5)3] and [Cp2V(μ-OH)B(C6F5)3]","Organometallics","2006","25","7","1551","","10.1021/om050965x","","","0.71073","MoKα","","0.0575","0.0318","","","0.0582","0.0637","","","","","","0.907","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074877","7.5379","0.0004","11.8576","0.0006","15.3064","0.0007","79.215","0.001","78.105","0.001","83.323","0.001","1310.78","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H33 B N6 O2 Ru -","- C18 H17 B N6 O2 Ru -","- C36 H34 B2 N12 O4 Ru2 -","2","1","","Lee, John P.; Pittard, Karl A.; DeYonker, Nathan J.; Cundari, Thomas R.; Gunnoe, T. Brent; Petersen, Jeffrey L.","Reactions of a Ru(II) Phenyl Complex with Substrates that Possess C‒N or C‒O Multiple Bonds: C‒C Bond Formation, N‒H Bond Cleavage, and Decarbonylation Reactions","Organometallics","2006","25","6","1500","1510","10.1021/om050967h","","","0.71073","MoKα","","0.0414","0.0366","","","0.0945","0.0968","","","","","","1.029","","","","has coordinates","209836","2020-10-21","18:00:00",""
"4074878","11.42","0.02","14.78","0.03","17.18","0.03","90","","105.5","0.1","90","","2794","9","198.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 P Rh -","- C36 H32 P Rh -","- C144 H128 P4 Rh4 -","4","1","","Onitsuka, Kiyotaka; Yamamoto, Mari; Mori, Tomoko; Takei, Fumie; Takahashi, Shigetoshi","Living Polymerization of Bulky Aryl Isocyanide with Arylrhodium Complexes","Organometallics","2006","25","5","1270","1278","10.1021/om0509692","","","0.7107","MoKα","","","0.0517","","","","0.076","","","","","","1.14","","","","has coordinates","209855","2020-10-21","18:00:00",""
"4074879","10.2492","0.0007","29.368","0.001","11.0728","0.0008","90","","99.791","0.001","90","","3284.4","0.3","150","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H48 P2 Si -","- C34 H48 P2 Si -","- C136 H192 P8 Si4 -","4","1","","Ito, Shigekazu; Nishide, Katsunori; Yoshifuji, Masaaki","Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features","Organometallics","2006","25","6","1424","1430","10.1021/om050972l","","","0.7107","MoKα","","","0.0462","","","","0.1029","","","","","","1.005","","","","has coordinates","209852","2020-10-21","18:00:00",""
"4074880","17.595","0.001","10.7937","0.0007","21.0617","0.0008","90","","95.979","0.003","90","","3978.2","0.4","223","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 O5 P2 Si W -","- C39 H39 O5 P2 Si W -","- C156 H156 O20 P8 Si4 W4 -","4","1","","Ito, Shigekazu; Nishide, Katsunori; Yoshifuji, Masaaki","Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features","Organometallics","2006","25","6","1424","1430","10.1021/om050972l","","","0.7107","MoKα","","","0.0512","","","","0.1056","","","","","","1.079","","","","has coordinates","209852","2020-10-21","18:00:00",""
"4074881","11.203","0.005","19.351","0.005","9.385","0.004","98.04","0.02","102.946","0.006","95.85","0.02","1944.6","1.3","223","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 O4 P2 Si W -","- C38 H48 O4 P2 Si W -","- C76 H96 O8 P4 Si2 W2 -","2","1","","Ito, Shigekazu; Nishide, Katsunori; Yoshifuji, Masaaki","Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features","Organometallics","2006","25","6","1424","1430","10.1021/om050972l","","","0.7107","MoKα","","","0.0733","","","","0.0885","","","","","","1.464","","","","has coordinates","209852","2020-10-21","18:00:00",""
"4074882","17.706","0.002","27.18","0.002","13.821","0.002","90","","90","","90","","6651.3","1.3","133","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 P2 S Si -","- C34 H48 P2 S Si -","- C272 H384 P16 S8 Si8 -","8","2","","Ito, Shigekazu; Nishide, Katsunori; Yoshifuji, Masaaki","Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features","Organometallics","2006","25","6","1424","1430","10.1021/om050972l","","","0.7107","MoKα","","","0.0604","","","","0.1489","","","","","","1.193","","","","has coordinates","209852","2020-10-21","18:00:00",""
"4074883","17.961","0.005","14.094","0.003","19.103","0.005","90","","110.279","0.004","90","","4536","2","223","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Cl6 P2 Pd Si -","- C36 H50 Cl6 P2 Pd Si -","- C144 H200 Cl24 P8 Pd4 Si4 -","4","1","","Ito, Shigekazu; Nishide, Katsunori; Yoshifuji, Masaaki","Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features","Organometallics","2006","25","6","1424","1430","10.1021/om050972l","","","0.7107","MoKα","","","0.1364","","","","0.355","","","","","","1.831","","","","has coordinates","209852","2020-10-21","18:00:00",""
"4074884","8.8061","0.0005","14.668","0.0008","27.1709","0.0017","90","","90","","90","","3509.6","0.4","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Cl F6 N O P Ru Sb -","- C34 H38 Cl F6 N O P Ru Sb -","- C136 H152 Cl4 F24 N4 O4 P4 Ru4 Sb4 -","4","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.0356","0.0321","","","0.0793","0.0813","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074885","10.3448","0.0007","15.1685","0.0008","11.5034","0.0007","90","","95.782","0.005","90","","1795.87","0.19","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C38 H36 Cl F6 N O P Ru Sb -","- C38 H36 Cl F6 N O P Ru Sb -","- C76 H72 Cl2 F12 N2 O2 P2 Ru2 Sb2 -","2","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.0512","0.0427","","","0.1048","0.1112","","","","","","1.079","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074886","8.8403","0.0009","14.6825","0.0016","27.236","0.002","90","","90","","90","","3535.2","0.6","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Cl F6 N O Os P Sb -","- C34 H38 Cl F5.994 N O Os P Sb0.999 -","- C136 H152 Cl4 F23.976 N4 O4 Os4 P4 Sb3.996 -","4","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.0511","0.0394","","","0.0821","0.0877","","","","","","1.033","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074887","10.3493","0.0015","10.9548","0.0016","17.044","0.002","90","","94.73","0.003","90","","1925.8","0.5","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H40 F6 N O8 P Ru S2 -","- C36 H40 F6 N O8 P Ru S2 -","- C72 H80 F12 N2 O16 P2 Ru2 S4 -","2","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.6894","synchrotron","","0.0363","0.0347","","","0.0897","0.0909","","","","","","1.023","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074888","9.9134","0.0006","25.1523","0.0015","13.8912","0.0008","90","","99.555","0.001","90","","3415.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H38 F8 N O3 P3 Ru -","- C34 H38 F8 N O3 P3 Ru -","- C136 H152 F32 N4 O12 P12 Ru4 -","4","2","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.049","0.0418","","","0.0828","0.0863","","","","","","1.008","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074889","11.3401","0.0008","18.2209","0.0012","20.7142","0.0013","90","","90","","90","","4280.1","0.5","200","0.2","200","0.2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","(eta-6-p-cymene){(3aS,8aR)-2-(2-diphenylphosphinophenyl)-3a,8a- dihydroindane[1,2-d]oxazole}(methacrolein)ruthenium(ii) bis(hexafluoroantimoniate)","","- C42 H42 F12 N O2 P Ru Sb2 -","- C42 H42 F12 N O2 P Ru Sb2 -","- C168 H168 F48 N4 O8 P4 Ru4 Sb8 -","4","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.0636","0.0431","","0.095","0.0817","","","","1.058","1.031","1.031","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074890","16.0892","0.0003","18.456","0.0004","20.1698","0.0004","90","","90","","90","","5989.3","0.2","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H38 B N7 O W -","- C29 H38 B N7 O W -","- C232 H304 B8 N56 O8 W8 -","8","1","","Garrett, Andrew D.; Vogeley, Neil J.; Varner, James R.; White, Peter S.; Templeton, Joseph L.","Reactivity Relationships between Chiral Cyclic Amido and Imine Tungsten(II) Complexes","Organometallics","2006","25","7","1728","","10.1021/om0509746","","","0.71073","MolybdenumKα","","0.051","0.027","","0.026","0.024","","","","","1.55","1.55","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074891","10.9323","0.0005","16.8686","0.0007","18.2165","0.0008","79.961","0.001","81.853","0.001","89.124","0.001","3274.4","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H92 B2 N14 O2 W2 -","- C65 H92 B2 N14 O2 W2 -","- C130 H184 B4 N28 O4 W4 -","2","1","","Garrett, Andrew D.; Vogeley, Neil J.; Varner, James R.; White, Peter S.; Templeton, Joseph L.","Reactivity Relationships between Chiral Cyclic Amido and Imine Tungsten(II) Complexes","Organometallics","2006","25","7","1728","","10.1021/om0509746","","","0.71073","MolybdenumKα","","0.047","0.031","","0.037","0.035","","","","","1.28","1.28","","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074892","12.4266","0.0004","16.0186","0.0005","17.8952","0.0006","91.195","0.002","102.85","0.002","107.838","0.002","3290.76","0.19","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C61 H49 B2 F24 N7 O W -","- C61 H49 B2 F24 N7 O W -","- C122 H98 B4 F48 N14 O2 W2 -","2","1","","Garrett, Andrew D.; Vogeley, Neil J.; Varner, James R.; White, Peter S.; Templeton, Joseph L.","Reactivity Relationships between Chiral Cyclic Amido and Imine Tungsten(II) Complexes","Organometallics","2006","25","7","1728","","10.1021/om0509746","","","0.71073","MolybdenumKα","","0.084","0.058","","0.064","0.06","","","","","1.85","1.85","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074893","14.288","0.003","12.824","0.003","35.951","0.007","90","","92.968","0.012","90","","6578","2","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C62 H51 B2 F24 N7 O W -","- C62 H51 B2 F24 N7 O W -","- C248 H204 B8 F96 N28 O4 W4 -","4","1","","Garrett, Andrew D.; Vogeley, Neil J.; Varner, James R.; White, Peter S.; Templeton, Joseph L.","Reactivity Relationships between Chiral Cyclic Amido and Imine Tungsten(II) Complexes","Organometallics","2006","25","7","1728","","10.1021/om0509746","","","0.71073","MoKα","","0.0596","0.0433","","","0.0963","0.1034","","","","","","1.037","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074894","10.367","0.002","25.806","0.005","11.119","0.002","90","","108.74","0.03","90","","2817","1","230","1","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4","Bis[N-(dimethylamino)benzimidato-N,O]diphenylsilicon(IV)","","- C30 H32 N4 O2 Si -","- C30 H32 N4 O2 Si -","- C120 H128 N16 O8 Si4 -","4","1","","Kalikhman, Inna; Gostevskii, Boris; Botoshansky, Mark; Kaftory, Menahem; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Octahedral and Bicapped-Tetrahedral Silicon Configurations in the Solid State and Their Dynamic Coexistence in Solution","Organometallics","2006","25","5","1252","1258","10.1021/om0509802","","","0.71073","MoKα","","0.0958","0.0472","","","0.1096","0.1254","","","","","","0.962","","","","has coordinates","209804","2020-10-21","18:00:00",""
"4074895","34.89","0.003","9.3494","0.0008","15.8794","0.0013","90","","114.996","0.001","90","","4694.7","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5","Bis[N'-(dimethylamino)N"",N""-(dimethyl)carbamoimidato-N,O]diphenylsilicon(IV)","","- C22 H34 N6 O2 Si -","- C22 H34 N6 O2 Si -","- C176 H272 N48 O16 Si8 -","8","1","","Kalikhman, Inna; Gostevskii, Boris; Botoshansky, Mark; Kaftory, Menahem; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Octahedral and Bicapped-Tetrahedral Silicon Configurations in the Solid State and Their Dynamic Coexistence in Solution","Organometallics","2006","25","5","1252","1258","10.1021/om0509802","","","0.71073","MoKα","","0.0585","0.0468","","","0.1073","0.1127","","","","","","1.061","","","","has coordinates","209804","2020-10-21","18:00:00",""
"4074896","9.225","0.002","10.709","0.002","22.519","0.004","90","","99.66","0.03","90","","2193.1","0.8","230","1","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6","Bis[N-(isopropylideneimino)acetimidato-N,O]diphenylsilicon(IV)","","- C22 H28 N4 O2 Si -","- C22 H28 N4 O2 Si -","- C88 H112 N16 O8 Si4 -","4","1","","Kalikhman, Inna; Gostevskii, Boris; Botoshansky, Mark; Kaftory, Menahem; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Octahedral and Bicapped-Tetrahedral Silicon Configurations in the Solid State and Their Dynamic Coexistence in Solution","Organometallics","2006","25","5","1252","1258","10.1021/om0509802","","","0.71073","MoKα","","0.1366","0.0617","","","0.15","0.1775","","","","","","0.963","","","","has coordinates","209804","2020-10-21","18:00:00",""
"4074897","13.576","0.0009","8.0012","0.0005","16.4807","0.0011","90","","90","","90","","1790.2","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","8","Bis[N-(cyclopentylideneimino)acetimidato-N,O]dimethylsilicon(IV)","","- C16 H28 N4 O2 Si -","- C16 H28 N4 O2 Si -","- C64 H112 N16 O8 Si4 -","4","0.5","","Kalikhman, Inna; Gostevskii, Boris; Botoshansky, Mark; Kaftory, Menahem; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Octahedral and Bicapped-Tetrahedral Silicon Configurations in the Solid State and Their Dynamic Coexistence in Solution","Organometallics","2006","25","5","1252","1258","10.1021/om0509802","","","0.71073","MoKα","","0.042","0.0402","","","0.1028","0.1039","","","","","","1.109","","","","has coordinates","209804","2020-10-21","18:00:00",""
"4074898","6.4292","0.0002","18.6655","0.0004","19.2969","0.0005","90","","90","","90","","2315.71","0.11","143","2","143","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C22 H22 Ag Au P2 -","- C22 H22 Ag Au P2 -","- C88 H88 Ag4 Au4 P8 -","4","0.5","","Schuster, Oliver; Monkowius, Uwe; Schmidbaur, Hubert; Ray, R. Shyama; Krüger, Sven; Rösch, Notker","Unexpected Structural Preference for Aggregates with Metallophilic Ag- - -Au Contacts in (Trimethylphosphine)silver(I) and -gold(I) Phenylethynyl Complexes. An Experimental and Theoretical Study","Organometallics","2006","25","4","1004","","10.1021/om050985z","","","0.71073","MoKα","","0.0577","0.0523","","","0.1032","0.1061","","","","","","1.128","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074899","33.0696","0.0004","9.9668","0.0002","18.6939","0.0003","90","","123.98","0.0006","90","","5109.28","0.15","143","2","143","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H48 Ag3 Au3 P2 -","- C54 H48 Ag3 Au3 P2 -","- C216 H192 Ag12 Au12 P8 -","4","1","","Schuster, Oliver; Monkowius, Uwe; Schmidbaur, Hubert; Ray, R. Shyama; Krüger, Sven; Rösch, Notker","Unexpected Structural Preference for Aggregates with Metallophilic Ag- - -Au Contacts in (Trimethylphosphine)silver(I) and -gold(I) Phenylethynyl Complexes. An Experimental and Theoretical Study","Organometallics","2006","25","4","1004","","10.1021/om050985z","","","0.71073","MoKα","","0.0396","0.0371","","","0.0941","0.0959","","","","","","1.069","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074900","8.6558","0.0001","16.415","0.0003","10.0677","0.0002","90","","97.3783","0.0006","90","","1418.62","0.04","123","1","123","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H21 B F4 Mo N4 O2 -","- C31 H21 B F4 Mo N4 O2 -","- C62 H42 B2 F8 Mo2 N8 O4 -","2","1","","Pereira, Cláudia C. L.; Costa, Paulo J.; Calhorda, Maria José; Freire, Cristina; Rodrigues, Sandra S.; Herdtweck, Eberhardt; Romão, Carlos C.","Ring Slippage vs Charge Transfer in the Reductive Chemistry of [IndMo(CO)2(α-diimine)]+Cations","Organometallics","2006","25","22","5223","","10.1021/om050986r","","","0.71073","MoKα","","0.0253","0.0233","","","0.046","0.0465","","","","","","1.075","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074901","30.007","0.004","15.3558","0.0011","26.908","0.006","90","","123.706","0.006","90","","10314","3","113.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H51 B3 O4.5 P3 Pt1.5 -","- C57 H51 B3 O4.5 P3 Pt1.5 -","- C456 H408 B24 O36 P24 Pt12 -","8","1","","Pantcheva, Ivayla; Osakada, Kohtaro","Synthesis and Reactivity of a Platinum(II) Complex with a Chelating Dehydro(arylboronic anhydride) Ligand. Transmetalation of Arylboronic Acid","Organometallics","2006","25","7","1735","","10.1021/om0509903","","","0.7107","MoKα","","","0.0287","","","","0.0373","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074902","16.0265","0.0017","21.295","0.002","22.041","0.002","90","","90","","90","","7522.2","1.3","113.1","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H38 B2 O5 P2 Pt -","- C42 H38 B2 O5 P2 Pt -","- C336 H304 B16 O40 P16 Pt8 -","8","2","","Pantcheva, Ivayla; Osakada, Kohtaro","Synthesis and Reactivity of a Platinum(II) Complex with a Chelating Dehydro(arylboronic anhydride) Ligand. Transmetalation of Arylboronic Acid","Organometallics","2006","25","7","1735","","10.1021/om0509903","","","0.7107","MoKα","","","0.03","","","","0.0892","","","","","","0.837","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074903","14.9162","0.0016","18.975","0.002","22.898","0.003","90","","93.4409","0.0015","90","","6469.2","1.3","113.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 F12 O9 P4 Pt2 -","- C64 H56 F12 O9 P4 Pt2 -","- C256 H224 F48 O36 P16 Pt8 -","4","1","","Pantcheva, Ivayla; Osakada, Kohtaro","Synthesis and Reactivity of a Platinum(II) Complex with a Chelating Dehydro(arylboronic anhydride) Ligand. Transmetalation of Arylboronic Acid","Organometallics","2006","25","7","1735","","10.1021/om0509903","","","0.7107","MoKα","","","0.04","","","","0.0457","","","","","","0.915","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074904","10.3823","0.0019","11.367","0.002","14.227","0.003","92.374","0.002","93.196","0.003","98.853","0.004","1654.3","0.5","113.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 O2 P2 Pt -","- C40 H38 O2 P2 Pt -","- C80 H76 O4 P4 Pt2 -","2","1","","Pantcheva, Ivayla; Osakada, Kohtaro","Synthesis and Reactivity of a Platinum(II) Complex with a Chelating Dehydro(arylboronic anhydride) Ligand. Transmetalation of Arylboronic Acid","Organometallics","2006","25","7","1735","","10.1021/om0509903","","","0.7107","MoKα","","","0.0419","","","","0.065","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074905","8.1069","0.0006","10.563","0.0008","14.6777","0.0011","90","","90","","90","","1256.9","0.16","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H24 B P -","- C10 H24 B P -","- C40 H96 B4 P4 -","4","1","","Blank, Natalia F.; McBroom, Katherine C.; Glueck, David S.; Kassel, W. Scott; Rheingold, Arnold L.","Chirality Breeding via Asymmetric Phosphination. Palladium-Catalyzed Diastereoselective Synthesis of a P-Stereogenic Phosphine","Organometallics","2006","25","7","1742","","10.1021/om050993f","","","0.71073","MoKα","","0.047","0.044","","","0.1064","0.1085","","","","","","1.105","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074906","11.6646","0.0002","18.3088","0.0002","28.9532","0.0007","74.582","0.005","82.573","0.006","77.117","0.006","5794.7","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H177 Cl6 N4 O2 Si12 Zr2 -","- C93 H177 Cl6 N4 O2 Si12 Zr2 -","- C186 H354 Cl12 N8 O4 Si24 Zr4 -","2","1","","Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro","Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes","Organometallics","2006","25","10","2457","","10.1021/om0509948","","","0.7107","MoKα","","0.0827","0.0607","","","0.1158","0.1246","","","","","","1.12","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074907","11.6597","0.0001","18.3005","0.0002","28.9162","0.0003","74.6796","0.0008","82.5888","0.0004","77.1249","0.0005","5785.06","0.1","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H177 Cl6 Hf2 N4 O2 Si12 -","- C93 H177 Cl6 Hf2 N4 O2 Si12 -","- C186 H354 Cl12 Hf4 N8 O4 Si24 -","2","1","","Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro","Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes","Organometallics","2006","25","10","2457","","10.1021/om0509948","","","0.71069","MoKα","","0.0242","0.0204","","","0.0464","0.0477","","","","","","1.069","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074908","12.724","0.005","12.781","0.006","19.884","0.008","85.729","0.015","72.206","0.012","87.54","0.015","3070","2","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H93 Cl2 Li N4 Si6 Ti -","- C47 H93 Cl2 Li N4 Si6 Ti -","- C94 H186 Cl4 Li2 N8 Si12 Ti2 -","2","1","","Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro","Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes","Organometallics","2006","25","10","2457","","10.1021/om0509948","","","0.7107","MoKα","","0.1091","0.0848","","","0.1558","0.1671","","","","","","1.181","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074909","12.718","0.003","15.788","0.004","19.011","0.005","99.7567","0.0019","108.197","0.0017","102.239","0.002","3427.8","1.5","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H107 Cl2 Li N4 Si6 Zr -","- C53 H107 Cl2 Li N4 Si6 Zr -","- C106 H214 Cl4 Li2 N8 Si12 Zr2 -","2","1","","Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro","Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes","Organometallics","2006","25","10","2457","","10.1021/om0509948","","","0.7107","MoKα","","0.0369","0.033","","","0.0774","0.0795","","","","","","1.062","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074910","12.6966","0.0017","15.754","0.002","19.249","0.003","72.09","0.005","69.348","0.004","77.721","0.006","3404.7","0.8","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H107 Cl2 Hf Li N4 Si6 -","- C53 H107 Cl2 Hf Li N4 Si6 -","- C106 H214 Cl4 Hf2 Li2 N8 Si12 -","2","1","","Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro","Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes","Organometallics","2006","25","10","2457","","10.1021/om0509948","","","0.7107","MoKα","","0.0249","0.0225","","","0.0487","0.0498","","","","","","1.062","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074911","9.5578","0.0018","12.345","0.002","25.424","0.006","87.842","0.01","82.127","0.012","71.02","0.02","2809.9","1","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H85 Cl Hf N2 O Si6 -","- C45 H85 Cl Hf N2 O Si6 -","- C90 H170 Cl2 Hf2 N4 O2 Si12 -","2","1","","Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro","Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes","Organometallics","2006","25","10","2457","","10.1021/om0509948","","","0.71069","MoKα","","0.1357","0.0786","","","0.1337","0.1596","","","","","","1.097","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074912","47.617","0.003","9.5808","0.0005","23.4963","0.0016","90","","101.676","0.003","90","","10497.4","1.1","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H77 Cl2 N2 Si6 Ti -","- C41 H77 Cl2 N2 Si6 Ti -","- C328 H616 Cl16 N16 Si48 Ti8 -","8","1","","Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro","Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes","Organometallics","2006","25","10","2457","","10.1021/om0509948","","","0.7107","MoKα","","0.0833","0.0688","","","0.1583","0.1669","","","","","","1.104","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074913","13.8273","0.0015","14.2373","0.0011","14.796","0.001","61.759","0.005","85.629","0.009","86.579","0.009","2557.7","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H136 Cl4 N8 Nd4 O4 Si8 -","- C78 H104 Cl4 N8 Nd4 O4 Si8 -","- C78 H104 Cl4 N8 Nd4 O4 Si8 -","1","0.5","","Zhao, Bei; Li, Honghai; Shen, Qi; Zhang, Yong; Yao, Yingming; Lu, Chengrong","Metallomacrocycle Complexes of Lanthanides with Bridged Amide Ligands: Syntheses and Molecular Structures of [{μ2-p-(Me3SiN)2C6H4}YbCl(THF)2]2and [{μ2-p-(Me3SiN)2C6H4}Nd(μ2-Cl)(THF)]42PhMe","Organometallics","2006","25","7","1824","","10.1021/om0509995","","","0.7107","MoKα","","0.0638","0.0492","","","0.0995","0.1079","","","","","","1.129","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074914","25.127","0.003","12.0839","0.0013","17.4643","0.0019","90","","93.481","0.003","90","","5292.9","1","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H76 Cl2 N4 O4 Si4 Yb2 -","- C40 H76 Cl2 N4 O4 Si4 Yb2 -","- C160 H304 Cl8 N16 O16 Si16 Yb8 -","4","0.5","","Zhao, Bei; Li, Honghai; Shen, Qi; Zhang, Yong; Yao, Yingming; Lu, Chengrong","Metallomacrocycle Complexes of Lanthanides with Bridged Amide Ligands: Syntheses and Molecular Structures of [{μ2-p-(Me3SiN)2C6H4}YbCl(THF)2]2and [{μ2-p-(Me3SiN)2C6H4}Nd(μ2-Cl)(THF)]42PhMe","Organometallics","2006","25","7","1824","","10.1021/om0509995","","","0.7107","MoKα","","0.0648","0.0561","","","0.1299","0.135","","","","","","1.232","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074915","13.722","0.004","21.866","0.006","16.436","0.005","90","0.0013","101.82","0.0015","90","0.0013","4827","2","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Nickel-Complex","","","- C43 H49 Cl2 Ni P S6 Si2 -","- C43 H49 Cl2 Ni P S6 Si2 -","- C172 H196 Cl8 Ni4 P4 S24 Si8 -","4","1","","Kudoh, Kenichi; Okamoto, Toshihiro; Yamaguchi, Shigehiro","Reactions of Fused Polycyclic 1,2-Dithiins with Transition Metals: Synthesis of Heteroacenes via Desulfurization","Organometallics","2006","25","9","2374","","10.1021/om051000g","","","0.7107","MoKα","","0.066","0.0535","","","0.1203","0.1275","","","","","","1.124","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074916","10.886","0.004","12.357","0.005","19.233","0.007","90.384","0.003","96.225","0.005","106.675","0.007","2461.8","1.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","Paladium-Complex","","","- C45 H52 Cl2 N P Pd S6 Si2 -","- C45 H52 Cl2 N P Pd S6 Si2 -","- C90 H104 Cl4 N2 P2 Pd2 S12 Si4 -","2","1","","Kudoh, Kenichi; Okamoto, Toshihiro; Yamaguchi, Shigehiro","Reactions of Fused Polycyclic 1,2-Dithiins with Transition Metals: Synthesis of Heteroacenes via Desulfurization","Organometallics","2006","25","9","2374","","10.1021/om051000g","","","0.7107","MoKα","","0.074","0.0549","","","0.1498","0.1619","","","","","","1.022","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074917","8.9989","0.0005","11.6066","0.0009","15.7313","0.001","90","","98.804","0.007","90","","1623.72","0.19","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Cd -","- C34 H58 Cd -","- C68 H116 Cd2 -","2","0.5","","Bentz, Dirk; Wolmershäuser, Gotthelf; Sitzmann, Helmut","Bis(alkylcyclopentadienyl)cadmium Complexes and Alkylcyclopentadienyl(mesityl)cadmium: Synthesis and Structure","Organometallics","2006","25","13","3175","","10.1021/om0510021","","","0.71073","MoKα","","0.0528","0.0284","","","0.0636","0.0678","","","","","","0.884","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074918","14.0793","0.0006","11.4229","0.0005","14.1805","0.0006","90","","109.372","0.001","90","","2151.48","0.16","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Cl F6 Ir N4 P -","- C17 H25 Cl F6 Ir N4 P -","- C68 H100 Cl4 F24 Ir4 N16 P4 -","4","1","","Viciano, Mónica; Poyatos, Macarena; Sanaú, Mercedes; Peris, Eduardo; Rossin, Andrea; Ujaque, Gregori; Lledós, Agustí","C‒H Oxidative Addition of Bisimidazolium Salts to Iridium and Rhodium Complexes, and N-Heterocyclic Carbene Generation. A Combined Experimental and Theoretical Study","Organometallics","2006","25","5","1120","1134","10.1021/om051004l","","","0.71073","MoKα","","0.0572","0.0337","","","0.0816","0.0933","","","","","","1.016","","","","has coordinates","209842","2020-10-21","18:00:00",""
"4074919","8.7176","0.0013","11.766","0.0018","17.981","0.003","76.296","0.003","80.23","0.004","70.657","0.003","1682.3","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H37 F6 Ir N4 P -","- C25 H37 F6 Ir N4 P -","- C50 H74 F12 Ir2 N8 P2 -","2","1","","Viciano, Mónica; Poyatos, Macarena; Sanaú, Mercedes; Peris, Eduardo; Rossin, Andrea; Ujaque, Gregori; Lledós, Agustí","C‒H Oxidative Addition of Bisimidazolium Salts to Iridium and Rhodium Complexes, and N-Heterocyclic Carbene Generation. A Combined Experimental and Theoretical Study","Organometallics","2006","25","5","1120","1134","10.1021/om051004l","","","0.71073","MoKα","","0.1728","0.0759","","","0.1861","0.23","","","","","","0.952","","","","has coordinates","209842","2020-10-21","18:00:00",""
"4074920","12.0534","0.0009","14.2223","0.001","13.8876","0.001","90","","90.104","0.002","90","","2380.7","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H30 F6 Ir N4 P -","- C20 H30 F6 Ir N4 P -","- C80 H120 F24 Ir4 N16 P4 -","4","2","","Viciano, Mónica; Poyatos, Macarena; Sanaú, Mercedes; Peris, Eduardo; Rossin, Andrea; Ujaque, Gregori; Lledós, Agustí","C‒H Oxidative Addition of Bisimidazolium Salts to Iridium and Rhodium Complexes, and N-Heterocyclic Carbene Generation. A Combined Experimental and Theoretical Study","Organometallics","2006","25","5","1120","1134","10.1021/om051004l","","","0.71073","MoKα","","0.0689","0.0384","","","0.0772","0.0871","","","","","","0.987","","","","has coordinates","209842","2020-10-21","18:00:00",""
"4074921","13.4804","0.0008","18.1685","0.0011","16.8361","0.0011","90","","107.891","0.001","90","","3924.1","0.4","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl3 F6 Ir2 N8 O0.5 P -","- C22 H34 Cl3 F6 Ir2 N8 O0.5 P -","- C88 H136 Cl12 F24 Ir8 N32 O2 P4 -","4","1","","Viciano, Mónica; Poyatos, Macarena; Sanaú, Mercedes; Peris, Eduardo; Rossin, Andrea; Ujaque, Gregori; Lledós, Agustí","C‒H Oxidative Addition of Bisimidazolium Salts to Iridium and Rhodium Complexes, and N-Heterocyclic Carbene Generation. A Combined Experimental and Theoretical Study","Organometallics","2006","25","5","1120","1134","10.1021/om051004l","","","0.71073","MoKα","","0.1963","0.0704","","","0.168","0.2166","","","","","","0.997","","","","has coordinates","209842","2020-10-21","18:00:00",""
"4074922","12.581","0.0009","19.0944","0.0014","19.3076","0.0014","66.238","0.002","74.952","0.001","76.86","0.002","4059.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Cl4 N5 O2.5 Ru -","- C40.99 H25 Cl4 N5 O2.5 Ru -","- C163.96 H100 Cl16 N20 O10 Ru4 -","4","2","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.114","0.056","","","0.0983","0.1137","","","","","","0.758","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074923","14.154","0.003","20.696","0.004","16.472","0.003","90","","107.22","0.03","90","","4608.9","1.7","301","2","301","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H34 Br4 N4 O3 Ru -","- C37 H32 Br4 N4 O3 Ru -","- C148 H128 Br16 N16 O12 Ru4 -","4","2","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.0973","0.0701","","","0.2025","0.2209","","","","","","1.004","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074924","10.867","0.002","24.938","0.005","17.882","0.004","90","","91.81","0.03","90","","4843.6","1.7","301","2","301","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H48 Br2 N2 O2 P2 Ru -","- C56 H48 Br2 N2 O2 P2 Ru -","- C224 H192 Br8 N8 O8 P8 Ru4 -","4","2","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.0571","0.0344","","","0.078","0.0991","","","","","","0.918","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074925","8.447","0.0017","16.42","0.003","27.958","0.006","90","","93.96","0.03","90","","3868.5","1.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27.5 H29 Br2 Cl5 N4 O3 Ru -","- C27.5 H29 Br2 Cl5 N4 O3 Ru -","- C110 H116 Br8 Cl20 N16 O12 Ru4 -","4","2","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.089","0.068","","","0.1889","0.2023","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074926","16.799","0.007","14.783","0.006","17.33","0.007","90","","102.725","0.009","90","","4198","3","294","2","294","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C76 H66 Cl6 I8 N8 O4 Ru2 -","- C76 H65 Cl6 I8 N8 O4 Ru2 -","- C152 H130 Cl12 I16 N16 O8 Ru4 -","2","1","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.1242","0.0555","","","0.1229","0.1579","","","","","","0.964","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074927","12.508","0.002","17.364","0.003","20.387","0.004","106.689","0.004","99.487","0.004","91.45","0.004","4170.9","1.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C78.5 H73.5 Br8 N8 O8.5 Ru2 -","- C78.5 H72 Br8 N8 O8.5 Ru2 -","- C157 H144 Br16 N16 O17 Ru4 -","2","1","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.326","0.0979","","","0.2122","0.2906","","","","","","1.13","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074928","37.444","0.008","13.021","0.003","19.997","0.004","90","","121.11","0.03","90","","8347","4","253","2","253","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H41 Br4 N3 O3 Ru -","- C42 H41 Br4 N3 O3 Ru -","- C336 H328 Br32 N24 O24 Ru8 -","8","1","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.0589","0.0304","","","0.0657","0.0701","","","","","","0.689","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074929","9.3886","0.0005","10.5077","0.0001","12.4065","0.0006","68.413","0.002","81.359","0.005","83.288","0.003","1122.64","0.08","223.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 S6 Si2 -","- C42 H30 S6 Si2 -","- C42 H30 S6 Si2 -","1","0.5","","Kim, Dong-Ha; Ohshita, Joji; Lee, Kwang-Hoi; Kunugi, Yoshihito; Kunai, Atsutaka","Synthesis of π-Conjugated Oligomers Containing Dithienosilole Units","Organometallics","2006","25","6","1511","1516","10.1021/om0510122","","","0.7107","MoKα","","","0.079","","","","0.157","","","","","","17.068","","","","has coordinates","209885","2020-10-21","18:00:00",""
"4074930","17.063","0.008","10.834","0.008","18.488","0.006","90","","108.76","0.04","90","","3236","3","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Nb O P S2 Si2 -","- C30 H36 Nb O P S2 Si2 -","- C120 H144 Nb4 O4 P4 S8 Si8 -","4","1","","Antiñolo, Antonio; García-Yuste, Santiago; Otero, Antonio; Pérez-Flores, Juan C.; Reguillo-Carmona, Rebeca; Rodríguez, Ana M.; Villaseñor, Elena","Reactivity of a Phosphido-Niobocene Derivative toward CS2 and Alkyl Halides to Give Phosphinodithioformato- and Phosphino-Niobocene Complexes: X-ray Crystal Structures of [Nb(η5-C5H4SiMe3)2(κ1-S-SC(S)(PPh2))(CO)] and [Nb(η5-C5H4SiMe3)2(P(I)Ph2)(CO)]I3","Organometallics","2006","25","5","1310","1316","10.1021/om051013u","","","0.71073","MoKα","","0.3249","0.0863","","","0.1398","0.2046","","","","","","0.958","","","","has coordinates","209886","2020-10-21","18:00:00",""
"4074931","11.608","0.001","12.194","0.005","14.197","0.002","81.77","0.02","78.42","0.01","72.22","0.01","1867.4","0.8","230","2","230","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H36 I4 Nb O P Si2 -","- C29 H36 I4 Nb O P Si2 -","- C58 H72 I8 Nb2 O2 P2 Si4 -","2","1","","Antiñolo, Antonio; García-Yuste, Santiago; Otero, Antonio; Pérez-Flores, Juan C.; Reguillo-Carmona, Rebeca; Rodríguez, Ana M.; Villaseñor, Elena","Reactivity of a Phosphido-Niobocene Derivative toward CS2 and Alkyl Halides to Give Phosphinodithioformato- and Phosphino-Niobocene Complexes: X-ray Crystal Structures of [Nb(η5-C5H4SiMe3)2(κ1-S-SC(S)(PPh2))(CO)] and [Nb(η5-C5H4SiMe3)2(P(I)Ph2)(CO)]I3","Organometallics","2006","25","5","1310","1316","10.1021/om051013u","","","0.71073","MoKα","","0.0672","0.0548","","","0.1484","0.1576","","","","","","1.027","","","","has coordinates","209886","2020-10-21","18:00:00",""
"4074932","17.186","0.012","10.02","0.003","17.288","0.008","90","","113.78","0.04","90","","2724","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H30 I2 N4 O2 Pd2 -","- C22 H30 I2 N4 O2 Pd2 -","- C88 H120 I8 N16 O8 Pd8 -","4","1","","Solé, Daniel; Díaz, Sandra; Solans, Xavier; Font-Bardia, Mercè","A Comparative Study of the Chelating Ability of the −N(R)−(CH2)n−CO−N(R)2Framework in σ-Aryl Palladium(II) Complexes Derived from 2-Iodoanilines and 2-Iodobenzylamines. Synthesis of New Types of Terdentate [C,N,O] Pd(II) Complexes and C,N-Bridged Binuclear Pd(II) Compounds","Organometallics","2006","25","8","1995","","10.1021/om051014m","","","0.71073","MoKα","","0.0808","0.0581","","","0.1426","0.1556","","","","","","1.05","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074933","16.08","0.013","11.373","0.004","17.164","0.007","90","","91.09","0.05","90","","3138","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 I2 N4 O2 Pd2 -","- C26 H38 I2 N4 O2 Pd2 -","- C104 H152 I8 N16 O8 Pd8 -","4","1","","Solé, Daniel; Díaz, Sandra; Solans, Xavier; Font-Bardia, Mercè","A Comparative Study of the Chelating Ability of the −N(R)−(CH2)n−CO−N(R)2Framework in σ-Aryl Palladium(II) Complexes Derived from 2-Iodoanilines and 2-Iodobenzylamines. Synthesis of New Types of Terdentate [C,N,O] Pd(II) Complexes and C,N-Bridged Binuclear Pd(II) Compounds","Organometallics","2006","25","8","1995","","10.1021/om051014m","","","0.71073","MoKα","","0.0618","0.0361","","","0.094","0.1035","","","","","","1.059","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074934","12.637","0.006","13.777","0.005","25.508","0.008","76.8","0.03","76.8","0.03","64.27","0.03","3852","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H90 F6 N4 O11 P2 Pd2 S2 -","- C78 H90 F6 N4 O11 P2 Pd2 S2 -","- C156 H180 F12 N8 O22 P4 Pd4 S4 -","2","1","","Solé, Daniel; Díaz, Sandra; Solans, Xavier; Font-Bardia, Mercè","A Comparative Study of the Chelating Ability of the −N(R)−(CH2)n−CO−N(R)2Framework in σ-Aryl Palladium(II) Complexes Derived from 2-Iodoanilines and 2-Iodobenzylamines. Synthesis of New Types of Terdentate [C,N,O] Pd(II) Complexes and C,N-Bridged Binuclear Pd(II) Compounds","Organometallics","2006","25","8","1995","","10.1021/om051014m","","","0.71073","MoKα","","0.1031","0.0438","","","0.1003","0.1173","","","","","","0.893","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074935","9.418","0.004","12.549","0.004","15.614","0.005","90","","94.89","","90","","1838.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 I N2 O Pd -","- C18 H21 I N2 O Pd -","- C72 H84 I4 N8 O4 Pd4 -","4","1","","Solé, Daniel; Díaz, Sandra; Solans, Xavier; Font-Bardia, Mercè","A Comparative Study of the Chelating Ability of the −N(R)−(CH2)n−CO−N(R)2Framework in σ-Aryl Palladium(II) Complexes Derived from 2-Iodoanilines and 2-Iodobenzylamines. Synthesis of New Types of Terdentate [C,N,O] Pd(II) Complexes and C,N-Bridged Binuclear Pd(II) Compounds","Organometallics","2006","25","8","1995","","10.1021/om051014m","","","0.71073","MoKα","","0.0438","0.042","","","0.0919","0.0931","","","","","","1.305","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074936","20.531","0.007","13.027","0.004","23.378","0.008","90","","92.22","0.005","90","","6248","4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 K N2 -","- C36 H37 K N2 -","- C288 H296 K8 N16 -","8","2","","Downing, Stephen P.; Danopoulos, Andreas A.","Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of Titanium and Vanadium","Organometallics","2006","25","6","1337","1340","10.1021/om051017z","","","0.6868","synchrotron","","0.122","0.0663","","","0.152","0.1773","","","","","","0.922","","","","has coordinates","209844","2020-10-21","18:00:00",""
"4074937","8.3495","0.0006","10.7139","0.0013","16.8282","0.0019","73.535","0.009","86.508","0.007","71.966","0.007","1372.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H37 Cl N3 Ti -","- C32 H37 Cl N3 Ti -","- C64 H74 Cl2 N6 Ti2 -","2","1","","Downing, Stephen P.; Danopoulos, Andreas A.","Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of Titanium and Vanadium","Organometallics","2006","25","6","1337","1340","10.1021/om051017z","","","0.71073","MoKα","","0.0629","0.0484","","","0.1081","0.114","","","","","","1.088","","","","has coordinates","209844","2020-10-21","18:00:00",""
"4074938","8.208","0.004","9.877","0.006","17.305","0.01","100.63","0.08","97.83","0.04","105.38","0.05","1303.8","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 Br N3 V -","- C28 H35 Br N3 V -","- C56 H70 Br2 N6 V2 -","2","1","","Downing, Stephen P.; Danopoulos, Andreas A.","Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of Titanium and Vanadium","Organometallics","2006","25","6","1337","1340","10.1021/om051017z","","","0.71073","MoKα","","0.0977","0.0534","","","0.0875","0.0988","","","","","","1.019","","","","has coordinates","209844","2020-10-21","18:00:00",""
"4074939","25.078","0.005","13.604","0.003","18.511","0.004","90","","110.12","0.03","90","","5930","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H58 F6 O8 P4 Pt2 S2 -","- C46 H58 F6 O8 P4 Pt2 S2 -","- C184 H232 F24 O32 P16 Pt8 S8 -","4","0.5","","Nilsson, Patrik; Puxty, Graeme; Wendt, Ola F.","Reaction Mechanism of Transmetalation between Tetraorganostannanes and Platinum(II) Aryltriflate Complexes. Mechanistic Model for Stille Couplings","Organometallics","2006","25","5","1285","1292","10.1021/om051021a","","","0.71073","MoKα","","0.167","0.0589","","","0.1155","0.1402","","","","","","0.995","","","","has coordinates","209913","2020-10-21","18:00:00",""
"4074940","6.8794","0.0006","9.2704","0.0008","9.0919","0.0008","90","","109.061","0.001","90","","548.04","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H14 Cl2 O Ti -","- C9 H14 Cl2 O Ti -","- C18 H28 Cl4 O2 Ti2 -","2","1","","Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique","New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group","Organometallics","2006","25","6","1448","1460","10.1021/om051031b","","","0.71073","MoKα","","0.0491","0.0362","","","0.0889","0.0958","","","","","","1.015","","","","has coordinates","209806","2020-10-21","18:00:00",""
"4074941","7.4633","0.0006","11.2428","0.0009","13.7705","0.0011","90","","103.666","0.002","90","","1122.75","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Cl O Ti -","- C10 H17 Cl O Ti -","- C40 H68 Cl4 O4 Ti4 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique","New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group","Organometallics","2006","25","6","1448","1460","10.1021/om051031b","","","0.71073","MoKα","","0.0388","0.0266","","","0.0535","0.0558","","","","","","0.984","","","","has coordinates","209806","2020-10-21","18:00:00",""
"4074942","13.071","0.002","9.8025","0.0015","15.986","0.002","90","","93.739","0.003","90","","2043.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 O Ti -","- C26 H26 O Ti -","- C104 H104 O4 Ti4 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique","New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group","Organometallics","2006","25","6","1448","1460","10.1021/om051031b","","","0.71073","MoKα","","0.1635","0.0544","","","0.0765","0.0973","","","","","","0.762","","","","has coordinates","209806","2020-10-21","18:00:00",""
"4074943","20.191","0.004","10.3853","0.0017","11.541","0.002","90","","100.225","0.003","90","","2381.6","0.7","173","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 Cl2 O2 Ti -","- C23 H34 Cl2 O2 Ti -","- C92 H136 Cl8 O8 Ti4 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique","New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group","Organometallics","2006","25","6","1448","1460","10.1021/om051031b","","","0.71073","MoKα","","0.0788","0.0451","","","0.0816","0.0892","","","","","","0.859","","","","has coordinates","209806","2020-10-21","18:00:00",""
"4074944","8.7861","0.0011","9.5628","0.0012","12.8261","0.0016","69.91","0.002","74.453","0.002","64.222","0.002","902.3","0.2","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Ga O Si -","- C20 H21 Ga O Si -","- C40 H42 Ga2 O2 Si2 -","2","1","","Taha, Ziyad A.; Deguns, Eric W.; Chattopadhyay, Swarup; Scott, Susannah L.","Formation of Digallium Sites in the Reaction of Trimethylgallium with Silica","Organometallics","2006","25","8","1891","","10.1021/om051034o","","","0.71073","MoKα","","0.054","0.0402","","","0.1098","0.1259","","","","","","1.058","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074945","19.699","0.002","10.4716","0.0012","12.4761","0.0015","90","","101.675","0.003","90","","2520.3","0.5","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 Cl2 N4 O4 Pd -","- C23 H28 Cl2 N4 O4 Pd -","- C92 H112 Cl8 N16 O16 Pd4 -","4","0.5","","Huynh, Han Vinh; Neo, Tiong Cheng; Tan, Geok Kheng","Mixed Dicarboxylato‒Bis(carbene) Complexes of Palladium(II): Synthesis, Structures, Trans‒Cis Isomerism, and Catalytic Activity","Organometallics","2006","25","5","1298","1302","10.1021/om0510369","","","0.71073","MoKα","","0.0673","0.0553","","","0.1254","0.1309","","","","","","1.098","","","","has coordinates","209810","2020-10-21","18:00:00",""
"4074946","17.7749","0.001","13.2977","0.0007","12.944","0.0007","90","","106.566","0.001","90","","2932.5","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 F6 N4 O5 Pd -","- C25 H26 F6 N4 O5 Pd -","- C100 H104 F24 N16 O20 Pd4 -","4","0.5","","Huynh, Han Vinh; Neo, Tiong Cheng; Tan, Geok Kheng","Mixed Dicarboxylato‒Bis(carbene) Complexes of Palladium(II): Synthesis, Structures, Trans‒Cis Isomerism, and Catalytic Activity","Organometallics","2006","25","5","1298","1302","10.1021/om0510369","","","0.71073","MoKα","","0.0394","0.0361","","","0.0987","0.1015","","","","","","1.062","","","","has coordinates,has disorder","209810","2020-10-21","18:00:00",""
"4074947","12.144","0.0007","24.1984","0.0013","21.5159","0.0013","90","","97.893","0.002","90","","6262.9","0.6","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H24 F10 N4 O4 Pd -","- C27.5 H24 F10 N4 O4 Pd -","- C220 H192 F80 N32 O32 Pd8 -","8","2","","Huynh, Han Vinh; Neo, Tiong Cheng; Tan, Geok Kheng","Mixed Dicarboxylato‒Bis(carbene) Complexes of Palladium(II): Synthesis, Structures, Trans‒Cis Isomerism, and Catalytic Activity","Organometallics","2006","25","5","1298","1302","10.1021/om0510369","","","0.71073","MoKα","","0.0887","0.0631","","","0.1599","0.1739","","","","","","1.031","","","","has coordinates","209810","2020-10-21","18:00:00",""
"4074948","11.674","0.0001","11.879","0.0001","19.4041","0.0001","91.612","0.001","99.01","0.001","114.221","0.001","2410.93","0.04","84","2","84","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H48 O4 Os P2 S -","- C59 H48 O4 Os P2 S -","- C118 H96 O8 Os2 P4 S2 -","2","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Wright, L. James","An Osmabenzofuran from Reaction between Os(PhC⋮CPh)(CS)(PPh3)2and Methyl Propiolate and the C-Protonation of this Compound to Form a Tethered Osmabenzene","Organometallics","2006","25","7","1771","","10.1021/om0510371","","","0.71073","MoKα","","0.0285","0.0235","","","0.0503","0.0527","","","","","","1.069","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074949","21.4854","0.0001","19.5854","0.0003","13.1111","0.0002","90","","99.645","0.001","90","","5439.17","0.12","84","2","84","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H47 Br O4 Os P2 S -","- C59 H47 Br O4 Os P2 S -","- C236 H188 Br4 O16 Os4 P8 S4 -","4","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Wright, L. James","An Osmabenzofuran from Reaction between Os(PhC⋮CPh)(CS)(PPh3)2and Methyl Propiolate and the C-Protonation of this Compound to Form a Tethered Osmabenzene","Organometallics","2006","25","7","1771","","10.1021/om0510371","","","0.71073","MoKα","","0.0601","0.0375","","","0.0752","0.0814","","","","","","1.021","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074950","12.7455","0.0001","14.9228","0.0002","17.4255","0.0002","82.513","0.001","75.312","0.001","64.78","","2899.46","0.06","84","2","84","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H50.88 Cl2.12 I3 O4 Os P2 S -","- C60 H50.876 Cl2.124 I3 O4 Os P2 S -","- C120 H101.752 Cl4.248 I6 O8 Os2 P4 S2 -","2","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Wright, L. James","An Osmabenzofuran from Reaction between Os(PhC⋮CPh)(CS)(PPh3)2and Methyl Propiolate and the C-Protonation of this Compound to Form a Tethered Osmabenzene","Organometallics","2006","25","7","1771","","10.1021/om0510371","","","0.71073","MoKα","","0.0558","0.0461","","","0.0922","0.0976","","","","","","1.156","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074951","6.3802","0.0006","5.9324","0.0004","21.8428","0.0017","90","","90","","90","","826.75","0.12","140","2","140","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H5 Cl Zn -","- C2 H5 Cl Zn -","- C16 H40 Cl8 Zn8 -","8","1","","Guerrero, Antonio; Hughes, David L.; Bochmann, Manfred","Synthesis and Crystal Structure of Ethyl Zinc Chloride","Organometallics","2006","25","6","1525","1527","10.1021/om051043x","","","0.71073","Mo-Kα","","0.0233","0.0225","","","0.0548","0.055","","","","","","1.335","","","","has coordinates","209912","2020-10-21","18:00:00",""
"4074952","8.5587","0.0009","14.4403","0.0015","16.9278","0.0018","90","","90","","90","","2092.1","0.4","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Cl F6 N O P Ru -","- C16 H27 Cl F6 N O P Ru -","- C64 H108 Cl4 F24 N4 O4 P4 Ru4 -","4","1","","Hermatschweiler, René; Fernández, Ignacio; Pregosin, Paul S.; Breher, Frank","Catalytic Allylic Alkylation and Allylic Phenolation Reactions with Ruthenium Complexes. Solid-State Structures of a Model Catalytic DMF Intermediate, [Ru(Cp*)(Cl)(η3-C3H5)(DMF)](PF6), and a New Tetranuclear Salt, [Ru(Cp){Ru(Cp)(η6-p-CH3C6H4CN)}3](PF6)4","Organometallics","2006","25","6","1440","1447","10.1021/om051050l","","","0.71073","MoKα","","0.0888","0.074","","","0.1362","0.1415","","","","","","1.192","","","","has coordinates","209830","2020-10-21","18:00:00",""
"4074953","17.5476","0.0005","17.5476","0.0005","30.2034","0.0017","90","","90","","120","","8054.2","0.6","200","2","200","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C44 H41 F24 N3 P4 Ru4 -","- C44 H41 F24 N3 P4 Ru4 -","- C264 H246 F144 N18 P24 Ru24 -","6","0.333333","","Hermatschweiler, René; Fernández, Ignacio; Pregosin, Paul S.; Breher, Frank","Catalytic Allylic Alkylation and Allylic Phenolation Reactions with Ruthenium Complexes. Solid-State Structures of a Model Catalytic DMF Intermediate, [Ru(Cp*)(Cl)(η3-C3H5)(DMF)](PF6), and a New Tetranuclear Salt, [Ru(Cp){Ru(Cp)(η6-p-CH3C6H4CN)}3](PF6)4","Organometallics","2006","25","6","1440","1447","10.1021/om051050l","","","0.71073","MoKα","","0.0575","0.0458","","","0.0904","0.0939","","","","","","0.972","","","","has coordinates","209830","2020-10-21","18:00:00",""
"4074954","10.204","0.001","18.072","0.003","27","0.005","75.05","0.01","88.46","0.01","82.92","0.01","4773.7","1.3","293.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C48 H62 B Mo N O P Rh S2 -","- C48 H62 B Mo N O P Rh S2 -","- C192 H248 B4 Mo4 N4 O4 P4 Rh4 S8 -","4","2","","Arashiba, Kazuya; Matsukawa, Shoji; Kuwata, Shigeki; Tanabe, Yoshiaki; Iwasaki, Masakazu; Ishii, Youichi","Electrophilic O-Methylation of a Terminal Nitrosyl Ligand Attained by an Early−Late Heterobimetallic Effect","Organometallics","2006","25","3","560","","10.1021/om0510573","","","0.7107","MoKα","","","0.053","","","","0.054","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074955","17.008","0.002","18.843","0.002","17.127","0.002","90","","97.121","0.008","90","","5446.6","1.1","293.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H39 N O P Rh S2 W -","- C23 H39 N O P Rh S2 W -","- C184 H312 N8 O8 P8 Rh8 S16 W8 -","8","2","","Arashiba, Kazuya; Matsukawa, Shoji; Kuwata, Shigeki; Tanabe, Yoshiaki; Iwasaki, Masakazu; Ishii, Youichi","Electrophilic O-Methylation of a Terminal Nitrosyl Ligand Attained by an Early−Late Heterobimetallic Effect","Organometallics","2006","25","3","560","","10.1021/om0510573","","","0.7107","MoKα","","","0.037","","","","0.038","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074956","8.714","0.003","24.849","0.004","14.533","0.002","90","","91.52","0.02","90","","3145.8","1.3","293.1","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 F6 N O P2 Rh S2 W -","- C24 H42 F6 N O P2 Rh S2 W -","- C96 H168 F24 N4 O4 P8 Rh4 S8 W4 -","4","1","","Arashiba, Kazuya; Matsukawa, Shoji; Kuwata, Shigeki; Tanabe, Yoshiaki; Iwasaki, Masakazu; Ishii, Youichi","Electrophilic O-Methylation of a Terminal Nitrosyl Ligand Attained by an Early−Late Heterobimetallic Effect","Organometallics","2006","25","3","560","","10.1021/om0510573","","","0.7107","MoKα","","","0.03","","","","0.031","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074957","11.2311","0.0011","11.2311","0.0011","19.104","0.002","90","","90","","90","","2409.7","0.4","120","2","120","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H24 B10 N4 -","- C22 H24 B10 N4 -","- C88 H96 B40 N16 -","4","1","","Prokhorov, Anton M.; Kozhevnikov, Dmitry N.; Rusinov, Vladimir L.; Chupakhin, Oleg N.; Glukhov, Ivan V.; Antipin, Mikhail Yu.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Carborane-Functionalized Polyaza Aromatic Ligands: Synthesis, Crystal Structure, and a Copper(II) Complex","Organometallics","2006","25","12","2972","","10.1021/om051058v","","","0.71073","MoKα","","0.0556","0.0487","","","0.0915","0.094","","","","","","0.988","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074958","10.885","0.003","17.343","0.006","14.54","0.005","90","","105.938","0.01","90","","2639.3","1.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 B9 N5 -","- C24 H28 B9 N5 -","- C96 H112 B36 N20 -","4","1","","Prokhorov, Anton M.; Kozhevnikov, Dmitry N.; Rusinov, Vladimir L.; Chupakhin, Oleg N.; Glukhov, Ivan V.; Antipin, Mikhail Yu.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Carborane-Functionalized Polyaza Aromatic Ligands: Synthesis, Crystal Structure, and a Copper(II) Complex","Organometallics","2006","25","12","2972","","10.1021/om051058v","","","0.71073","MoKα","","0.2113","0.0646","","","0.0765","0.0931","","","","","","0.911","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074959","10.5741","0.0018","15.12","0.002","14.707","0.002","90","","96.781","0.004","90","","2334.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(5-phenyl-2,2'-bipyridine-6-yl)-2-phenyl-1,2-dicarba-nido-undecaborane","","- C24 H27 B9 N2 -","- C24 H27 B9 N2 -","- C96 H108 B36 N8 -","4","1","","Prokhorov, Anton M.; Kozhevnikov, Dmitry N.; Rusinov, Vladimir L.; Chupakhin, Oleg N.; Glukhov, Ivan V.; Antipin, Mikhail Yu.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Carborane-Functionalized Polyaza Aromatic Ligands: Synthesis, Crystal Structure, and a Copper(II) Complex","Organometallics","2006","25","12","2972","","10.1021/om051058v","","","0.71073","MoKα","","0.1972","0.0629","","","0.0768","0.0995","","","","","","0.841","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074960","7.341","0.002","12.045","0.002","14.775","0.003","84.33","0.02","76.13","0.02","79","0.02","1243.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 B20 Cl4 Cu2 N8 -","- C34 H44 B20 Cl4 Cu2 N8 -","- C34 H44 B20 Cl4 Cu2 N8 -","1","0.5","","Prokhorov, Anton M.; Kozhevnikov, Dmitry N.; Rusinov, Vladimir L.; Chupakhin, Oleg N.; Glukhov, Ivan V.; Antipin, Mikhail Yu.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Carborane-Functionalized Polyaza Aromatic Ligands: Synthesis, Crystal Structure, and a Copper(II) Complex","Organometallics","2006","25","12","2972","","10.1021/om051058v","","","0.7107","MoKα","","0.0565","0.0349","","","0.0643","0.0704","","","","","","0.975","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074961","12.5439","0.0018","12.7227","0.0019","17.051","0.003","94.138","0.003","91.495","0.003","101.742","0.003","2655","0.7","293","2","293","2","","","","","","","","7","P 1","P 1","1","[RuCl2(PNNP)]","","","- C52 H32 Cl2 F24 N2 P2 Ru -","- C52 H32.5 Cl2 F24 N2 P2 Ru -","- C104 H65 Cl4 F48 N4 P4 Ru2 -","2","2","","Bonaccorsi, Cristina; Santoro, Francesco; Gischig, Sebastian; Mezzetti, Antonio","Chiral Dicationic Bis(aqua) Complexes [Ru(OH2)2(PNNP)]2+: The Effect of Double Chloride Abstraction on Asymmetric Cyclopropanation","Organometallics","2006","25","8","2002","","10.1021/om0510627","","x-ray","0.71073","MoKα","","0.0339","0.0308","","","0.0775","0.0799","","","","","","1.049","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074962","12.31","0.0015","22.511","0.002","47.384","0.006","90","","90","","90","","13131","3","200","2","200","2","","","","","","","","9","C 2 2 21","C 2c 2","20","[Ru(PNNP)(OH2)2](SbF6)2","","","- C52.5 H37 Cl F36 N2 O2 P2 Ru Sb2 -","- C52.929 H36 Cl1.858 F38.078 N2 O2 P2 Ru Sb2.37 -","- C423.432 H288 Cl14.864 F304.624 N16 O16 P16 Ru8 Sb18.96 -","8","1","","Bonaccorsi, Cristina; Santoro, Francesco; Gischig, Sebastian; Mezzetti, Antonio","Chiral Dicationic Bis(aqua) Complexes [Ru(OH2)2(PNNP)]2+: The Effect of Double Chloride Abstraction on Asymmetric Cyclopropanation","Organometallics","2006","25","8","2002","","10.1021/om0510627","","","0.71073","MoKα","","0.064","0.0543","","","0.1246","0.1312","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074963","12.136","0.002","16.912","0.003","14.873","0.003","90","","91.92","0.03","90","","3050.9","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H48 O2 Si2 Zr -","- C29 H48 O2 Si2 Zr -","- C116 H192 O8 Si8 Zr4 -","4","1","","Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe","Simple Functionalizations of Pentamethylcyclopentadienyl Ligands by Reactions of Decamethylzirconocene Complexes with Carbon Dioxide","Organometallics","2006","25","5","1317","1320","10.1021/om051063z","","","0.71073","MoKα","","0.0631","0.0395","","","0.0874","0.0954","","","","","","0.968","","","","has coordinates","209846","2020-10-21","18:00:00",""
"4074964","13.363","0.003","24.786","0.005","21.233","0.004","90","","93.21","0.03","90","","7022","3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 O4.25 Zr -","- C35 H48 O4.25 Zr -","- C280 H384 O34 Zr8 -","8","2","","Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe","Simple Functionalizations of Pentamethylcyclopentadienyl Ligands by Reactions of Decamethylzirconocene Complexes with Carbon Dioxide","Organometallics","2006","25","5","1317","1320","10.1021/om051063z","","","0.71073","MoKα","","0.0943","0.0593","","0.157","0.1419","","","","0.901","1.101","1.101","","","","","has coordinates,has disorder","209846","2020-10-21","18:00:00",""
"4074965","10.414","0.0005","15.2465","0.0008","15.8488","0.0008","90","","92.365","0.001","90","","2514.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl4 Fe N3 -","- C24 H25 Cl4 Fe N3 -","- C96 H100 Cl16 Fe4 N12 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.0602","0.0365","","","0.0749","0.0836","","","","","","1.021","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074966","13.482","0.005","23.751","0.008","26.066","0.011","90","","90","","90","","8347","5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H70 Cl4 F8 Fe2 N6 -","- C94 H70 Cl4 F8 Fe2 N6 -","- C376 H280 Cl16 F32 Fe8 N24 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.231","0.0987","","","0.2204","0.3017","","","","","","0.941","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074967","16.77","0.002","15.807","0.002","27.35","0.004","90","","90","","90","","7250","1.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C39 H27 F12 N3 -","- C39 H27 F12 N3 -","- C312 H216 F96 N24 -","8","2","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.2511","0.0759","","","0.1527","0.2231","","","","","","0.969","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074968","11.5071","0.0004","12.4346","0.0005","31.4986","0.0013","90","","100.345","0.001","90","","4433.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H31 Cl6 F12 Fe N3 -","- C41 H31 Cl6 F12 Fe N3 -","- C164 H124 Cl24 F48 Fe4 N12 -","4","0.5","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.0678","0.0506","","","0.1307","0.1419","","","","","","1.039","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074969","16","0.002","19.31","0.003","16.689","0.003","90","","90.168","0.003","90","","5156.2","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H39 Cl3 F12 Fe N3 -","- C39 H27 Cl3 F12 Fe N3 -","- C156 H108 Cl12 F48 Fe4 N12 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.1717","0.084","","","0.2231","0.261","","","","","","0.897","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074970","32.663","0.004","15.197","0.002","15.494","0.002","90","","96.197","0.002","90","","7646","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 Cl2 F12 Fe N3 -","- C39 H27 Cl2 F12 Fe N3 -","- C312 H216 Cl16 F96 Fe8 N24 -","8","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.1443","0.0804","","","0.1961","0.2328","","","","","","0.944","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074971","20.024","0.011","21.142","0.012","29.448","0.018","90","","105.241","0.014","90","","12028","12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H37 Cl8 F18 Fe N3 -","- C51 H37 Cl8 F18 Fe N3 -","- C408 H296 Cl64 F144 Fe8 N24 -","8","2","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.2177","0.1321","","","0.3085","0.3456","","","","","","1.417","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074972","7.9192","0.0007","13.0478","0.0011","15.4852","0.0014","87.704","0.003","76.436","0.003","86.539","0.003","1552","0.2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H41 F5 Ir N O2 P2 -","- C28 H41 F5 Ir N O2 P2 -","- C56 H82 F10 Ir2 N2 O4 P4 -","2","1","","Sykes, Alison Cartwright; White, Peter; Brookhart, Maurice","Reactions of Anilines and Benzamides with a Fourteen-Electron Iridium(I) Bis(Phosphinite) Complex: N-H Oxidative Addition versus Lewis Base Coordination.","Organometallics","2006","25","7","1664","1675","10.1021/om051070n","","","0.71073","MolybdenumKα","","0.03","0.025","","0.026","","0.026","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074973","7.8644","0.0012","18.856","0.003","21.332","0.003","90","","96.482","0.003","90","","3143.1","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 F5 Ir N O3 P2 -","- C29 H41 F5 Ir N O3 P2 -","- C116 H164 F20 Ir4 N4 O12 P8 -","4","1","","Sykes, Alison Cartwright; White, Peter; Brookhart, Maurice","Reactions of Anilines and Benzamides with a Fourteen-Electron Iridium(I) Bis(Phosphinite) Complex: N-H Oxidative Addition versus Lewis Base Coordination.","Organometallics","2006","25","7","1664","1675","10.1021/om051070n","","","0.71073","MoKα","","0.0576","0.0356","","","0.073","0.0871","","","","","","1.046","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074974","11.5309","0.0012","20.4252","0.0019","15.0255","0.0015","90","","117.267","0.005","90","","3145.6","0.6","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 F5 Ir N O3 P2 -","- C29 H41 F5 Ir N O3 P2 -","- C116 H164 F20 Ir4 N4 O12 P8 -","4","1","","Sykes, Alison Cartwright; White, Peter; Brookhart, Maurice","Reactions of Anilines and Benzamides with a Fourteen-Electron Iridium(I) Bis(Phosphinite) Complex: N-H Oxidative Addition versus Lewis Base Coordination.","Organometallics","2006","25","7","1664","1675","10.1021/om051070n","","","0.71073","MolybdenumKα","","0.031","0.025","","0.032","0.031","","","","","1.94","1.94","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074975","13.2931","0.0013","17.1006","0.0015","17.8063","0.0018","90","","111.843","0.006","90","","3757.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 Ir O2 P3 -","- C40 H54 Ir O2 P3 -","- C160 H216 Ir4 O8 P12 -","4","1","","Sykes, Alison Cartwright; White, Peter; Brookhart, Maurice","Reactions of Anilines and Benzamides with a Fourteen-Electron Iridium(I) Bis(Phosphinite) Complex: N-H Oxidative Addition versus Lewis Base Coordination.","Organometallics","2006","25","7","1664","1675","10.1021/om051070n","","","0.71073","MoKα","","0.0588","0.0507","","","0.0868","0.0889","","","","","","1.323","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074976","15.454","0.0003","14.694","0.0003","23.737","0.0003","90","","90","","90","","5390.22","0.17","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H32 Fe N O8 P -","- C26 H32 Fe N O8 P -","- C208 H256 Fe8 N8 O64 P8 -","8","1","","Kubo, Kazuyuki; Baba, Takayuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Trapping of Unsaturated Small Molecules through Cyclization with Iron−Iminophosphorane Complexes","Organometallics","2006","25","13","3238","","10.1021/om0510728","","","0.71069","MoKα","","0.0478","0.0441","","","0.1105","0.1124","","","","","","1.073","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074977","8.518","0.0002","15.784","0.0004","19.458","0.0004","90","","90","","90","","2616.09","0.11","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 F6 Fe N2 O3 P2 -","- C21 H30 F6 Fe N2 O3 P2 -","- C84 H120 F24 Fe4 N8 O12 P8 -","4","1","","Kubo, Kazuyuki; Baba, Takayuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Trapping of Unsaturated Small Molecules through Cyclization with Iron−Iminophosphorane Complexes","Organometallics","2006","25","13","3238","","10.1021/om0510728","","","0.71069","MoKα","","0.0738","0.058","","","0.1238","0.1411","","","","","","1.08","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074978","11.199","0.0002","17.443","0.0003","14.026","0.0002","90","","103.438","0.001","90","","2664.88","0.08","273","2","273","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C21 H30 F6 Fe N2 O3 P2 -","- C21 H30 F6 Fe N2 O3 P2 -","- C84 H120 F24 Fe4 N8 O12 P8 -","4","1","","Kubo, Kazuyuki; Baba, Takayuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Trapping of Unsaturated Small Molecules through Cyclization with Iron−Iminophosphorane Complexes","Organometallics","2006","25","13","3238","","10.1021/om0510728","","","0.71069","MoKα","","0.0471","0.0414","","","0.1036","0.1056","","","","","","1.029","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074979","15.7808","0.001","16.3514","0.0013","16.6649","0.0009","90","","90","","90","","4300.2","0.5","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Hexa-(mu-Chloro)-bi-(mu3-Chloro)- mu-hapto5-Pentamethylcyclopentadienyl- tetrakis(hapto5-pentamethylcyclopentadienyl) hexamagnesat- bis(hapto5-pentamethylcyclopentadienyl)aluminocenium","","- C76 H111 Al Cl8 Mg6 -","- C76 H111 Al Cl8 Mg6 -","- C152 H222 Al2 Cl16 Mg12 -","2","0.5","","Vollet, Jean; Hartig, Jens R.; Baranowska, Katarzyna; Schnöckel, Hansgeorg","The Anion [Mg6Cl8Cp*5]-: A Final Intermediate on the Way to the Molecular Donor-Free Grignard Compound MgClCp*?","Organometallics","2006","25","8","2101","","10.1021/om051074s","","","0.71073","MoKα","","0.0875","0.0457","","","0.1156","0.1356","","","","","","0.897","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074980","16.799","0.0011","16.799","","6.7283","0.0004","90","","90","","90","","1898.77","0.17","295","","295","","","","","","","","synthesis as described","5","P -4 21 c","P -4 2n","114","10, [Pt2(L)(CO)2]","","","- C24 H12 N2 O2 Pt2 -","- C24 H12 N2 O2 Pt2 -","- C96 H48 N8 O8 Pt8 -","4","0.5","","Zucca, Antonio; Petretto, Giacomo Luigi; Stoccoro, Sergio; Cinellu, Maria Agostina; Minghetti, Giovanni; Manassero, Mario; Manassero, Carlo; Male, Louise; Albinati, Alberto","Dinuclear C,N,C Cyclometalated Platinum Derivatives with Bridging Delocalized Ligands. Fourfold Deprotonation of 6,6‘-Diphenyl-2,2‘-bipyridine, H4L, Promoted by “Pt(R)2” Fragments (R = Me, Ph). Crystal Structures of [Pt2(L)(3,5-Me2py)2] and {Pt2(L)(dppe)}2(dppe = 1,2-Bis(diphenylphosphino)ethane). X-ray Powder Diffraction of [Pt2(L)(CO)2]","Organometallics","2006","25","9","2253","","10.1021/om051075k","powder diffraction","","","Cu","","","","","","","","0.267","","5.33","","","","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074981","16.7554","0.0003","20.1829","0.0003","23.4641","0.0003","90","","98.688","0.001","90","","7843.9","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H110 Mg2 N4 Na2 O6 -","- C78 H110 Mg2 N4 Na2 O6 -","- C312 H440 Mg8 N16 Na8 O24 -","4","1","","Hevia, Eva; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E.","Synthesis and Characterization of New Mixed-Metal Sodium−Magnesium Enolates Derived from 2,4,6-Trimethylacetophenone†","Organometallics","2006","25","7","1778","","10.1021/om051076c","","","0.71073","MoKα","","0.1289","0.0597","","","0.1235","0.1525","","","","","","1.005","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074982","16.817","0.0003","18.4174","0.0003","37.6423","0.0006","90","","90","","90","","11658.8","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H84 Mg N4 Na2 O4 -","- C56 H84 Mg N4 Na2 O4 -","- C448 H672 Mg8 N32 Na16 O32 -","8","1","","Hevia, Eva; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E.","Synthesis and Characterization of New Mixed-Metal Sodium−Magnesium Enolates Derived from 2,4,6-Trimethylacetophenone†","Organometallics","2006","25","7","1778","","10.1021/om051076c","","","0.71073","MoKα","","0.1598","0.0668","","","0.1188","0.1488","","","","","","1.011","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074983","13.7845","0.0003","21.4772","0.0006","22.3609","0.0004","90","","92.42","0.001","90","","6614.1","0.3","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C64 H102 Mg2 N4 Na2 O4 -","- C64 H102 Mg2 N4 Na2 O4 -","- C256 H408 Mg8 N16 Na8 O16 -","4","1","","Hevia, Eva; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E.","Synthesis and Characterization of New Mixed-Metal Sodium−Magnesium Enolates Derived from 2,4,6-Trimethylacetophenone†","Organometallics","2006","25","7","1778","","10.1021/om051076c","","","0.71073","MoKα","","0.1589","0.1238","","","0.3381","0.3601","","","","","","1.08","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074984","12.4277","0.0009","17.2432","0.0012","8.6138","0.0003","90","","90","","90","","1845.9","0.2","123","2","123","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C34 H58 N4 Na2 O2 -","- C34 H58 N4 Na2 O2 -","- C68 H116 N8 Na4 O4 -","2","0.5","","Hevia, Eva; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E.","Synthesis and Characterization of New Mixed-Metal Sodium−Magnesium Enolates Derived from 2,4,6-Trimethylacetophenone†","Organometallics","2006","25","7","1778","","10.1021/om051076c","","","0.71073","MoKα","","0.0787","0.0568","","","0.1398","0.1547","","","","","","1.051","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074985","15.4","0.0015","11.3999","0.0011","15.4278","0.0015","90","","110.881","0.002","90","","2530.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Cl2 O P2 Pd2 -","- C18 H40 Cl2 O P2 Pd2 -","- C72 H160 Cl8 O4 P8 Pd8 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.0303","0.0248","","","0.0642","0.0678","","","","","","1.043","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074986","20.4653","0.0019","12.1974","0.0011","22.708","0.002","90","","112.026","0.002","90","","5254.7","0.8","293","2","293","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C62 H44 Cl4 F6 Ir N2 O P -","- C62 H44 Cl4 F6 Ir N2 O P -","- C248 H176 Cl16 F24 Ir4 N8 O4 P4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71069","MoKα","","0.0505","0.034","","","0.0812","0.0903","","","","","","1.041","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074987","20.579","0.003","12.2266","0.0019","22.819","0.004","90","","113.766","0.003","90","","5254.6","1.5","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C66 H50 F6 Ir N2 O3 P -","- C66 H40 F6 Ir N2 O3 P -","- C264 H160 F24 Ir4 N8 O12 P4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71069","MoKα","","0.0666","0.0394","","","0.0901","0.1039","","","","","","1.027","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074988","17.85","0.003","15.742","0.003","7.7547","0.0015","90","","95.164","0.005","90","","2170.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H15 F6 N -","- C29 H15 F6 N -","- C116 H60 F24 N4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.379","0.1118","","","0.2152","0.3185","","","","","","0.93","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074989","11.2969","0.0012","11.3209","0.0011","25.322","0.003","87.237","0.002","87.976","0.002","80.299","0.002","3187.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H73 F12 Ir N2 O2 -","- C69 H47 F12 Ir N2 O2 -","- C138 H94 F24 Ir2 N4 O4 -","2","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.1209","0.0624","","","0.1431","0.1705","","","","","","0.852","","","","has coordinates,has disorder","209813","2020-10-21","18:00:00",""
"4074990","7.4452","0.001","10.9266","0.0015","12.0699","0.0016","90","","90","","90","","981.9","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H10 Cl N -","- C12 H10 Cl N -","- C48 H40 Cl4 N4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.0609","0.0418","","","0.1059","0.1149","","","","","","1.043","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074991","16.865","0.01","8.172","0.005","14.598","0.009","90","","103.052","0.012","90","","1960","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 P -","- C24 H27 P -","- C96 H108 P4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.1299","0.0631","","","0.1379","0.1522","","","","","","0.806","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074992","12.327","0.003","12.964","0.003","16.075","0.002","90","","108.464","0.013","90","","2436.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Br P Pd -","- C24 H26 Br P Pd -","- C96 H104 Br4 P4 Pd4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.0925","0.0502","","","0.1075","0.1202","","","","","","0.88","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074993","9.345","0.004","7.429","0.003","27.666","0.011","90","","107.31","0.015","90","","1833.7","1.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N -","- C28 H19 N -","- C112 H76 N4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.1666","0.0685","","","0.1478","0.1943","","","","","","0.956","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074994","25.909","0.003","25.909","0.003","18.352","0.004","90","","90","","90","","12319","3","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C67 H55 Ir N2 O2 -","- C67 H55 Ir N2 O2 -","- C536 H440 Ir8 N16 O16 -","8","0.5","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.0964","0.0396","","","0.0858","0.0998","","","","","","1.081","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074995","9.652","0.0001","18.6355","0.0003","15.0383","0.0003","90","","104.649","0.001","90","","2617.01","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 B N3 O2 -","- C30 H28 B N3 O2 -","- C120 H112 B4 N12 O8 -","4","1","","Pešková, Markéta; Šimůnek, Petr; Bertolasi, Valerio; Macháček, Vladimír; Lyčka, Antonín","Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ4-oxazaborines and Their Rearrangement to 1,2,4,3λ4-Triazaborines","Organometallics","2006","25","8","2025","","10.1021/om051078x","","","0.71073","MoKα","","0.101","0.0766","","","0.2046","0.2307","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074996","7.5283","0.0002","10.7694","0.0004","14.2237","0.0005","91.562","0.002","101.592","0.001","97.572","0.002","1118.1","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 B N3 O2 -","- C25 H26 B N3 O2 -","- C50 H52 B2 N6 O4 -","2","1","","Pešková, Markéta; Šimůnek, Petr; Bertolasi, Valerio; Macháček, Vladimír; Lyčka, Antonín","Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ4-oxazaborines and Their Rearrangement to 1,2,4,3λ4-Triazaborines","Organometallics","2006","25","8","2025","","10.1021/om051078x","","","0.71073","MoKα","","0.1288","0.0539","","","0.1183","0.1481","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074997","12.9055","0.0003","11.8869","0.0003","19.0398","0.0004","90","","97.205","0.002","90","","2897.76","0.12","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 B N3 O4 -","- C32 H32 B N3 O4 -","- C128 H128 B4 N12 O16 -","4","1","","Pešková, Markéta; Šimůnek, Petr; Bertolasi, Valerio; Macháček, Vladimír; Lyčka, Antonín","Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ4-oxazaborines and Their Rearrangement to 1,2,4,3λ4-Triazaborines","Organometallics","2006","25","8","2025","","10.1021/om051078x","","","0.71073","MoKα","","0.0947","0.0562","","","0.1297","0.155","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074998","10.7896","0.0002","13.955","0.0003","22.3431","0.0006","90","","90.618","0.001","90","","3363.98","0.13","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H39 B N4 O -","- C38 H31 B N4 O -","- C152 H124 B4 N16 O4 -","4","1","","Pešková, Markéta; Šimůnek, Petr; Bertolasi, Valerio; Macháček, Vladimír; Lyčka, Antonín","Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ4-oxazaborines and Their Rearrangement to 1,2,4,3λ4-Triazaborines","Organometallics","2006","25","8","2025","","10.1021/om051078x","","","0.71073","MoKα","","0.1576","0.0626","","","0.1444","0.1888","","","","","","1","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074999","7.4735","0.0001","10.7525","0.0003","14.2404","0.0004","90.686","0.001","103.567","0.001","95.318","0.002","1106.95","0.05","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 B N3 O -","- C25 H26 B N3 O -","- C50 H52 B2 N6 O2 -","2","1","","Pešková, Markéta; Šimůnek, Petr; Bertolasi, Valerio; Macháček, Vladimír; Lyčka, Antonín","Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ4-oxazaborines and Their Rearrangement to 1,2,4,3λ4-Triazaborines","Organometallics","2006","25","8","2025","","10.1021/om051078x","","","0.71073","MoKα","","0.0717","0.0498","","","0.1294","0.1452","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075000","10.2803","0.0004","12.4823","0.0005","17.2317","0.0008","90","","96.39","0.002","90","","2197.47","0.16","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 B N3 O2 -","- C24 H24 B N3 O2 -","- C96 H96 B4 N12 O8 -","4","2","","Pešková, Markéta; Šimůnek, Petr; Bertolasi, Valerio; Macháček, Vladimír; Lyčka, Antonín","Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ4-oxazaborines and Their Rearrangement to 1,2,4,3λ4-Triazaborines","Organometallics","2006","25","8","2025","","10.1021/om051078x","","","0.71073","MoKα","","0.0746","0.0481","","","0.1104","0.125","","","","","","1.022","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075001","14.718","0.0004","11.526","0.0004","13.066","0.0005","90","","90","","90","","2216.51","0.13","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","Compound2a","(2-trimethylsilylphenyl)diphenylmethylphosphonium iodide","","- C22 H26 I P Si -","- C22 H26 I P Si -","- C88 H104 I4 P4 Si4 -","4","1","","Kawachi, Atsushi; Yoshioka, Takahiro; Yamamoto, Yohsuke","Anionic 1,4-Silyl Migration in (2-(Trimethylsilyl)phenyl)phosphonium Methylides","Organometallics","2006","25","9","2390","","10.1021/om051080o","","","0.71069","MoKα","","0.0317","0.0286","","","0.0749","0.0841","","","","","","1.141","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075002","9.257","0.0002","12.642","0.0003","7.138","0.0002","90","","109.035","0.001","90","","789.66","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound2b","(2-trimethylsilylphenyl)trimethylphosphonium iodide","","- C12 H22 I P Si -","- C12 H22 I P Si -","- C24 H44 I2 P2 Si2 -","2","1","","Kawachi, Atsushi; Yoshioka, Takahiro; Yamamoto, Yohsuke","Anionic 1,4-Silyl Migration in (2-(Trimethylsilyl)phenyl)phosphonium Methylides","Organometallics","2006","25","9","2390","","10.1021/om051080o","","","0.71069","MoKα","","0.0206","0.0189","","","0.0603","0.0705","","","","","","1.289","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075003","10.027","0.002","10.868","0.002","19.014","0.004","90","","90","","90","","2072","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Mo N2 O6 -","- C22 H18 Mo N2 O6 -","- C88 H72 Mo4 N8 O24 -","4","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel","Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§","Organometallics","2006","25","7","1717","","10.1021/om051081g","","","0.71073","MoKα","","0.0201","0.0189","","","0.0478","0.0485","","","","","","1.055","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075004","6.2719","0.0013","9.939","0.002","16.062","0.003","98.9","0.03","96.82","0.03","99.61","0.03","964.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N2 O7 Re -","- C19 H15 N2 O7 Re -","- C38 H30 N4 O14 Re2 -","2","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel","Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§","Organometallics","2006","25","7","1717","","10.1021/om051081g","","","1.54184","CuKα","","0.0388","0.0379","","","0.1004","0.1015","","","","","","1.078","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075005","14.416","0.003","17.067","0.003","9.793","0.002","90","","90","","90","","2409.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H23 N2 O5 Re -","- C25 H23 N2 O5 Re -","- C100 H92 N8 O20 Re4 -","4","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel","Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§","Organometallics","2006","25","7","1717","","10.1021/om051081g","","","1.54184","CuKα","","0.0556","0.0517","","","0.1302","0.1364","","","","","","1.03","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075006","10.38","0.002","10.971","0.002","11.236","0.002","93.73","0.03","95.36","0.03","105.83","0.03","1220.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H19 N2 O5 Re -","- C29 H19 N2 O5 Re -","- C58 H38 N4 O10 Re2 -","2","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel","Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§","Organometallics","2006","25","7","1717","","10.1021/om051081g","","","1.54184","CuKα","","0.0369","0.0338","","","0.0849","0.0873","","","","","","1.042","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075007","12.6148","0.0015","10.8812","0.0013","32.845","0.004","90","","96.889","0.002","90","","4475.9","0.9","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N2 O8 Re -","- C21 H21 N2 O8 Re -","- C168 H168 N16 O64 Re8 -","8","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel","Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§","Organometallics","2006","25","7","1717","","10.1021/om051081g","","","0.71073","MoKα","","0.073","0.0694","","","0.1664","0.176","","","","","","1.418","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075008","10.6162","0.001","13.29","0.002","22.23","0.002","90","","110.857","0.002","90","","2930.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Cl2 Mo N2 O4 -","- C29 H28 Cl2 Mo N2 O4 -","- C116 H112 Cl8 Mo4 N8 O16 -","4","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel","Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§","Organometallics","2006","25","7","1717","","10.1021/om051081g","","","1.54184","CuKα","","0.1689","0.0999","","","0.2283","0.2688","","","","","","1.185","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075009","16.542","0.0011","8.048","0.0005","16.59","0.0009","90","","119.13","0.003","90","","1929.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 As2 Mo2 O4 P2 Si4 -","- C28 H46 As2 Mo2 O4 P2 Si4 -","- C56 H92 As4 Mo4 O8 P4 Si8 -","2","0.5","","Weber, Lothar; Bayer, Philipp; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate","Arsaalkenes R−AsC(NMe2)2[R = PhC(O), 4-EtC6H4C(O), 2,4,6-Me3C6H2C(O),tBuC(O), Me3Si]: Versatile Reagents in the Chemistry of Heterocumulenes","Organometallics","2006","25","7","1786","","10.1021/om051084t","","","0.71073","MoKα","","0.0851","0.0478","","","0.0943","0.11","","","","","","1.023","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075010","10.29","0.0001","13.589","0.0002","14.174","0.0002","96.876","0.0008","111.081","0.0008","104.975","0.0009","1736.08","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H41 As2 O4 P Si2 W -","- C32 H41 As2 O4 P Si2 W -","- C64 H82 As4 O8 P2 Si4 W2 -","2","1","","Weber, Lothar; Bayer, Philipp; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate","Arsaalkenes R−AsC(NMe2)2[R = PhC(O), 4-EtC6H4C(O), 2,4,6-Me3C6H2C(O),tBuC(O), Me3Si]: Versatile Reagents in the Chemistry of Heterocumulenes","Organometallics","2006","25","7","1786","","10.1021/om051084t","","","0.71073","MoKα","","0.0229","0.0208","","","0.0499","0.0508","","","","","","1.03","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075011","15.898","0.0002","21.891","0.0003","12.377","0.0002","90","","96.393","0.0008","90","","4280.7","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 As2.62 Mo O4 P0.38 -","- C17 H23 As2.6165 Mo O4 P0.3835 -","- C136 H184 As20.932 Mo8 O32 P3.068 -","8","2","","Weber, Lothar; Bayer, Philipp; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate","Arsaalkenes R−AsC(NMe2)2[R = PhC(O), 4-EtC6H4C(O), 2,4,6-Me3C6H2C(O),tBuC(O), Me3Si]: Versatile Reagents in the Chemistry of Heterocumulenes","Organometallics","2006","25","7","1786","","10.1021/om051084t","","","0.71073","MoKα","","0.0304","0.0227","","","0.0492","0.0516","","","","","","1.023","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075012","12.01","0.0001","14.675","0.0002","15.432","0.0003","105.767","0.0007","91.915","0.001","95.043","0.0009","2602.71","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H33 As2.19 O5 P0.81 W -","- C21 H33 As2.19 O5 P0.81 W -","- C84 H132 As8.76 O20 P3.24 W4 -","4","2","","Weber, Lothar; Bayer, Philipp; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate","Arsaalkenes R−AsC(NMe2)2[R = PhC(O), 4-EtC6H4C(O), 2,4,6-Me3C6H2C(O),tBuC(O), Me3Si]: Versatile Reagents in the Chemistry of Heterocumulenes","Organometallics","2006","25","7","1786","","10.1021/om051084t","","","0.71073","MoKα","","0.0423","0.0308","","","0.0715","0.0758","","","","","","1.017","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075013","10.646","0.0012","11.998","0.0012","15.51","0.0011","76.572","0.008","84.597","0.006","71.855","0.009","1830.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H48 Mo2 O4 P2 Si4 -","- C28 H48 Mo2 O4 P2 Si4 -","- C56 H96 Mo4 O8 P4 Si8 -","2","1","","Weber, Lothar; Bayer, Philipp; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate","Arsaalkenes R−AsC(NMe2)2[R = PhC(O), 4-EtC6H4C(O), 2,4,6-Me3C6H2C(O),tBuC(O), Me3Si]: Versatile Reagents in the Chemistry of Heterocumulenes","Organometallics","2006","25","7","1786","","10.1021/om051084t","","","0.71073","MoKα","","0.0305","0.0206","","","0.0401","0.0428","","","","","","1.072","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075014","11.1096","0.0004","12.2344","0.0004","17.8694","0.0006","86.356","0.001","75.321","0.001","63.958","0.001","2107.8","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 B F15 N2 Ti -","- C45 H44 B F15 N2 Ti -","- C90 H88 B2 F30 N4 Ti2 -","2","1","","Tabernero, Vanessa; Maestre, M. Carmen; Jiménez, Gerardo; Cuenca, Tomás; Ramírez de Arellano, Carmen","Cationic Cyclopentadienyl Phenylenediamido Titanium Species Generated by Reaction of TiCpR[1,2-C6H4(NCH2t-Bu)2]R (CpR= η5-C5H5, η5-C5Me5; R = CH3, CH2Ph) with B(C6F5)3. X-ray Molecular Structure of Ti(η5-C5Me5)[1,2-C6H4(NCH2t-Bu)2][μ-MeB(C6F5)3]†","Organometallics","2006","25","7","1723","","10.1021/om051088y","","","0.71073","MoKα","","0.0394","0.0363","","","0.097","0.0996","","","","","","1.04","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075015","21.2846","0.0003","18.2625","0.0003","19.04","0.0003","90","","98.374","0.001","90","","7322.1","0.2","223","1","223","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Compound 2c.3Me2CO","","","- C77 H68 Cd Cl2 F10 O3 P2 Pt -","- C77 H68 Cd Cl2 F10 O3 P2 Pt -","- C308 H272 Cd4 Cl8 F40 O12 P8 Pt4 -","4","0.5","","Fernández, Julio; Forniés, Juan; Gil, Belén; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Synthesis, Structures, and Luminescence Behavior of Mixed Metal Alkynyl Platinum−Cadmium Complexes§","Organometallics","2006","25","9","2274","","10.1021/om051094u","","","0.71073","MoKα","","0.0561","0.0389","","","0.0827","0.09","","","","","","1.048","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075016","19.7425","0.0001","24.6941","0.0001","38.1453","0.0002","90","","90","","90","","18596.7","0.16","173","1","173","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","Compound 3a","","","- C80 H108 Cd F20 N2 O Pt2 -","- C80 H108 Cd F20 N2 O Pt2 -","- C640 H864 Cd8 F160 N16 O8 Pt16 -","8","1","","Fernández, Julio; Forniés, Juan; Gil, Belén; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Synthesis, Structures, and Luminescence Behavior of Mixed Metal Alkynyl Platinum−Cadmium Complexes§","Organometallics","2006","25","9","2274","","10.1021/om051094u","","","0.71073","MoKα","","0.0908","0.0588","","","0.1612","0.1936","","","","","","1.069","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075017","31.825","0.0003","17.073","0.0002","19.204","0.0002","90","","126.604","0.001","90","","8376.53","0.19","173","1","173","1","","","","","","","","6","C 1 c 1","C -2yc","9","complex 3b","","","- C88 H92 Cd F20 N2 Pt2 -","- C88 H92 Cd F20 N2 Pt2 -","- C352 H368 Cd4 F80 N8 Pt8 -","4","1","","Fernández, Julio; Forniés, Juan; Gil, Belén; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Synthesis, Structures, and Luminescence Behavior of Mixed Metal Alkynyl Platinum−Cadmium Complexes§","Organometallics","2006","25","9","2274","","10.1021/om051094u","","","0.71073","MoKα","","0.0744","0.0589","","","0.1367","0.1437","","","","","","1.162","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075018","13.42","0.005","18.214","0.012","31.5","0.02","90","","90","","90","","7700","8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Si2 Sn2 -","- C30 H54 N4 P2 Si2 Sn2 -","- C240 H432 N32 P16 Si16 Sn16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0847","0.0749","","","0.1807","0.1896","","","","","","1.124","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075019","13.634","0.003","18.426","0.004","32.261","0.007","90","","90","","90","","8105","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Si2 Sn2 -","- C30 H54 N4 P2 Si2 Sn2 -","- C240 H432 N32 P16 Si16 Sn16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0626","0.0552","","","0.1395","0.1451","","","","","","1.204","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075020","13.4117","0.0005","18.2367","0.0007","31.5142","0.0012","90","","90","","90","","7707.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Si2 Sn2 -","- C30 H54 N4 P2 Si2 Sn2 -","- C240 H432 N32 P16 Si16 Sn16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0711","0.0375","","","0.0844","0.1028","","","","","","1.012","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075021","12.2138","0.0009","12.7921","0.001","13.2064","0.001","80.997","0.002","85.355","0.002","63.923","0.001","1830.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H54 Ge2 N4 P2 Si2 -","- C30 H54 Ge2 N4 P2 Si2 -","- C60 H108 Ge4 N8 P4 Si4 -","2","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.067","0.037","","","0.0753","0.0825","","","","","","0.898","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075022","13.4402","0.0007","18.2669","0.001","31.5543","0.0018","90","","90","","90","","7746.9","0.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Pb Si2 Sn -","- C30 H54 N4 P2 Pb Si2 Sn -","- C240 H432 N32 P16 Pb8 Si16 Sn8 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0672","0.0404","","","0.1022","0.1116","","","","","","0.963","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075023","13.582","0.003","18.654","0.004","32.019","0.006","90","","90","","90","","8112","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Pb Si2 Sn -","- C30 H54 N4 P2 Pb Si2 Sn -","- C240 H432 N32 P16 Pb8 Si16 Sn8 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.1055","0.0902","","","0.2619","0.2755","","","","","","1.146","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075024","14.9927","0.0006","17.5143","0.0007","12.1551","0.0005","90","","111.156","0.001","90","","2976.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H46 N3 P Pb Si3 -","- C21 H46 N3 P Pb Si3 -","- C84 H184 N12 P4 Pb4 Si12 -","4","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0507","0.0418","","","0.1299","0.1363","","","","","","0.903","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075025","13.448","0.003","18.352","0.004","31.591","0.007","90","","90","","90","","7797","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Pb2 Si2 -","- C30 H54 N4 P2 Pb2 Si2 -","- C240 H432 N32 P16 Pb16 Si16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0743","0.0324","","","0.059","0.0673","","","","","","0.876","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075026","8.318","0.0002","12.52","0.0004","15.494","0.0005","104.964","0.0015","104.772","0.0015","93.251","0.0014","1494.3","0.08","130","2","130","2","","","","","","","","7","P -1","-P 1","2","SMK003","SMK003","","- C24 H45 F6 Ir N O P3 -","- C24 H45 F6 Ir N O P3 -","- C48 H90 F12 Ir2 N2 O2 P6 -","2","1","","Kloek, Susan M.; Heinekey, D. Michael; Goldberg, Karen I.","Stereoselective Decarbonylation of Methanol to Form a Stable Iridium(III)trans-Dihydride Complex","Organometallics","2006","25","12","3007","","10.1021/om051098z","","","0.71073","MoKα","","0.085","0.0528","","","0.1009","0.1105","","","","","","0.982","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075027","12.5944","0.0012","12.1571","0.0009","17.0443","0.0014","90","","90","","90","","2609.7","0.4","73","2","73","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","RhIPTN(Me)CO","","","- C8 H16 I N3 O P Rh -","- C8 H16 I N3 O P Rh -","- C64 H128 I8 N24 O8 P8 Rh8 -","8","1","","Phillips, Andrew D.; Bolaño, Sandra; Bosquain, Sylvain S.; Daran, Jean-Claude; Malacea, Raluca; Peruzzini, Maurizio; Poli, Rinaldo; Gonsalvi, Luca","A New Class of Rhodium(I) κ1-Pand κ2-P,NComplexes with Rigid PTN(R) Ligands (PTN = 7-Phospha-3-methyl-1,3,5-triazabicyclo[3.3.1]nonane)","Organometallics","2006","25","9","2189","","10.1021/om051099r","","","0.71073","MoKα","","0.0452","0.0344","","","0.0787","0.084","","","","","","1.082","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075028","8.8646","0.0006","9.0912","0.0006","10.8615","0.0007","114.431","0.001","104.518","0.001","99.751","0.001","733.55","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","catena-[mu2-(eta2/eta2-[2.2]paracyclophane)- tetrakis(mu2-trifluoroacetato-O,O')-dirhodium(II,II)]","","- C24 H16 F12 O8 Rh2 -","- C24 H16 F12 O8 Rh2 -","- C24 H16 F12 O8 Rh2 -","1","0.5","","Petrukhina, Marina A.; Filatov, Alexander S.; Sevryugina, Yulia; Andreini, Kristian W.; Takamizawa, Satoshi","Paracyclophanes as Versatileπ-Donor Ligands Directing Formation of Extended Organometallic Networks","Organometallics","2006","25","9","2135","","10.1021/om051100m","","","0.71073","MoKα","","0.0334","0.0326","","","0.0839","0.0848","","","","","","1.054","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075029","16.2821","0.001","12.3917","0.0008","27.172","0.0017","90","","90","","90","","5482.3","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(eta1-[2.2.2]paracyclophane)- tetrakis(mu2-trifluoroacetato-O,O')-dirhodium(II,II)","","- C56 H48 F12 O8 Rh2 -","- C56 H48 F12 O8 Rh2 -","- C224 H192 F48 O32 Rh8 -","4","0.5","","Petrukhina, Marina A.; Filatov, Alexander S.; Sevryugina, Yulia; Andreini, Kristian W.; Takamizawa, Satoshi","Paracyclophanes as Versatileπ-Donor Ligands Directing Formation of Extended Organometallic Networks","Organometallics","2006","25","9","2135","","10.1021/om051100m","","","0.71073","MoKα","","0.0601","0.0503","","","0.1316","0.1413","","","","","","1.03","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075030","20.5186","0.0005","20.5186","0.0005","17.7415","0.0009","90","","90","","120","","6468.7","0.4","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","bis[mu3-(eta2/eta2/eta2-[2.2.2]paracyclophane)]- tris[tetra(mu2-trifluoroacetato-O,O')-dirhodium(II,II)]","","- C72 H48 F36 O24 Rh6 -","- C72 H48 F36 O24 Rh6 -","- C216 H144 F108 O72 Rh18 -","3","0.0833333","","Petrukhina, Marina A.; Filatov, Alexander S.; Sevryugina, Yulia; Andreini, Kristian W.; Takamizawa, Satoshi","Paracyclophanes as Versatileπ-Donor Ligands Directing Formation of Extended Organometallic Networks","Organometallics","2006","25","9","2135","","10.1021/om051100m","","","0.71073","MoKα","","0.05","0.0442","","","0.1109","0.1162","","","","","","1.038","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075031","9.7452","0.0006","22.7415","0.0014","14.665","0.0009","90","","100.49","0.001","90","","3195.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena[mu2-(eta2/eta2-[2.2.2]paracyclophane)- bis(mu2-trifluoroacetato-O,O')-tetra(carbonyl)-diruthenium(I,I)]","","- C32 H24 F6 O8 Ru2 -","- C32 H24 F6 O8 Ru2 -","- C128 H96 F24 O32 Ru8 -","4","1","","Petrukhina, Marina A.; Filatov, Alexander S.; Sevryugina, Yulia; Andreini, Kristian W.; Takamizawa, Satoshi","Paracyclophanes as Versatileπ-Donor Ligands Directing Formation of Extended Organometallic Networks","Organometallics","2006","25","9","2135","","10.1021/om051100m","","","0.71073","MoKα","","0.0449","0.0358","","","0.0876","0.0922","","","","","","1.027","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075032","12.3383","0.0008","13.5161","0.0009","23.3083","0.0015","90","","90","","90","","3887","0.4","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 N2 Ni P2 Si2 -","- C42 H48 N2 Ni P2 Si2 -","- C168 H192 N8 Ni4 P8 Si8 -","4","1","","Stapleton, Russell L.; Chai, Jianfang; Taylor, Nicholas J.; Collins, Scott","Ethylene Polymerization Using Discrete Nickel(II) Iminophosphonamide Complexes","Organometallics","2006","25","10","2514","","10.1021/om051103z","","","0.71073","MoKα","","0.0353","0.0311","","","0.0539","0.0546","","","","","","1.301","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075033","8.7003","0.0003","10.5517","0.0004","14.7301","0.0006","106.076","0.001","102.483","0.001","98.836","0.001","1235.39","0.08","180","1","180","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N2 Ni P -","- C29 H29 N2 Ni P -","- C58 H58 N4 Ni2 P2 -","2","1","","Stapleton, Russell L.; Chai, Jianfang; Taylor, Nicholas J.; Collins, Scott","Ethylene Polymerization Using Discrete Nickel(II) Iminophosphonamide Complexes","Organometallics","2006","25","10","2514","","10.1021/om051103z","","","0.71073","MoKα","","0.0399","0.0369","","","0.0857","0.0862","","","","","","2.621","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075034","14.6477","0.0007","9.5088","0.0004","18.5319","0.0009","90","","110.413","0.001","90","","2419.07","0.19","180","1","180","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N2 Ni P Si2 -","- C21 H33 N2 Ni P Si2 -","- C84 H132 N8 Ni4 P4 Si8 -","4","1","","Stapleton, Russell L.; Chai, Jianfang; Taylor, Nicholas J.; Collins, Scott","Ethylene Polymerization Using Discrete Nickel(II) Iminophosphonamide Complexes","Organometallics","2006","25","10","2514","","10.1021/om051103z","","","0.71073","MoKα","","0.0581","0.0488","","","0.0871","0.0888","","","","","","1.821","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075035","7.961","0.002","5.989","0.0018","8.112","0.002","90","","114.284","0.007","90","","352.55","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B N -","- C8 H8 B N -","- C16 H16 B2 N2 -","2","0.5","","Fang, Xiangdong; Yang, Hong; Kampf, Jeff W.; Banaszak Holl, Mark M.; Ashe, Arthur J.","Syntheses of Ring-Fused B−N Heteroaromatic Compounds","Organometallics","2006","25","2","513","","10.1021/om058048e","","","0.71073","MoKα","","0.0491","0.0405","","","0.1167","0.1247","","","","","","1.11","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075036","9.0694","0.0002","16.4421","0.0004","23.2581","0.0006","71.65","","81.103","0.001","85.317","0.001","3250.27","0.14","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H16 O11 Os3 Sn -","- C29 H16 O11 Os3 Sn -","- C116 H64 O44 Os12 Sn4 -","4","2","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","A New Tris(diphenylstannylene)triosmium Carbonyl Cluster Complex and Its Reactions with Pt(PBut3)2and Pt(PPh3)4","Organometallics","2006","25","8","2049","","10.1021/om060002d","","","0.71073","MoKα","","0.0489","0.0322","","","0.0769","0.0856","","","","","","1.007","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075037","24.8866","0.0011","16.45","0.0007","25.865","0.0011","90","","117.693","0.001","90","","9375.8","0.7","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H30 O9 Os3 Sn3 -","- C45 H30 O9 Os3 Sn3 -","- C360 H240 O72 Os24 Sn24 -","8","2","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","A New Tris(diphenylstannylene)triosmium Carbonyl Cluster Complex and Its Reactions with Pt(PBut3)2and Pt(PPh3)4","Organometallics","2006","25","8","2049","","10.1021/om060002d","","","0.71073","MoKα","","0.0723","0.0408","","","0.0906","0.1042","","","","","","1.03","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075038","13.685","0.0006","13.7194","0.0006","19.627","0.0008","84.225","0.001","82.003","0.001","62.716","0.001","3240.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H66 O9 Os3 P Pt Sn3 -","- C61 H66 O9 Os3 P Pt Sn3 -","- C122 H132 O18 Os6 P2 Pt2 Sn6 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","A New Tris(diphenylstannylene)triosmium Carbonyl Cluster Complex and Its Reactions with Pt(PBut3)2and Pt(PPh3)4","Organometallics","2006","25","8","2049","","10.1021/om060002d","","","0.71073","MoKα","","0.0614","0.0415","","","0.1047","0.117","","","","","","1.04","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075039","13.5555","0.0004","23.8225","0.0006","28.7065","0.0008","90","","102.275","0.001","90","","9058.1","0.4","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C89 H80 O11 Os3 P2 Pt Sn3 -","- C89 H80 O11 Os3 P2 Pt Sn3 -","- C356 H320 O44 Os12 P8 Pt4 Sn12 -","4","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","A New Tris(diphenylstannylene)triosmium Carbonyl Cluster Complex and Its Reactions with Pt(PBut3)2and Pt(PPh3)4","Organometallics","2006","25","8","2049","","10.1021/om060002d","","","0.71073","MoKα","","0.0885","0.0456","","","0.0898","0.1083","","","","","","1.021","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075040","9.76","0.003","10.927","0.004","13.709","0.005","87.922","0.006","82.14","0.007","85.031","0.007","1442.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 Fe4 O12 S4 -","- C19 H14 Fe4 O12 S4 -","- C38 H28 Fe8 O24 S8 -","2","1","","Song, Li-Cheng; Cheng, Jia; Yan, Jing; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Two Novel Bridgehead-C-Substituted Diiron Propanedithiolate Complexes as Active Site Models for Fe-Only Hydrogenases","Organometallics","2006","25","7","1544","","10.1021/om060004y","","","0.71073","MoKα","","0.1622","0.0621","","","0.1004","0.1294","","","","","","0.986","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075041","9.007","0.003","11.562","0.004","26.729","0.009","90","","97.35","0.006","90","","2760.7","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Fe4 O12 S3 -","- C20 H14 Fe4 O12 S3 -","- C80 H56 Fe16 O48 S12 -","4","1","","Song, Li-Cheng; Cheng, Jia; Yan, Jing; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Two Novel Bridgehead-C-Substituted Diiron Propanedithiolate Complexes as Active Site Models for Fe-Only Hydrogenases","Organometallics","2006","25","7","1544","","10.1021/om060004y","","","0.71073","MoKα","","0.0868","0.0461","","","0.0785","0.0883","","","","","","1.047","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075042","15.037","0.004","15.77","0.005","18.792","0.005","75.751","0.005","67.156","0.005","66.433","0.006","3742.3","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.5 H46.5 Cl0.5 Fe6 O18 P3 S3 -","- C62.25 H39 Cl0.5 Fe6 O18 P3 S3 -","- C124.5 H78 Cl Fe12 O36 P6 S6 -","2","1","","Song, Li-Cheng; Cheng, Jia; Yan, Jing; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Two Novel Bridgehead-C-Substituted Diiron Propanedithiolate Complexes as Active Site Models for Fe-Only Hydrogenases","Organometallics","2006","25","7","1544","","10.1021/om060004y","","","0.71073","MoKα","","0.1899","0.0749","","","0.1543","0.2055","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075043","8.011","0.0016","12.127","0.002","12.268","0.003","102.62","0.03","100.65","0.03","95.03","0.03","1132.8","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H34 B F4 O2 P2 Rh -","- C19 H34 B F4 O2 P2 Rh -","- C38 H68 B2 F8 O4 P4 Rh2 -","2","1","","Salem, Hiyam; Ben-David, Yehoshoa; Shimon, Linda J. W.; Milstein, David","Exclusive C−C Activation and an Apparent α-H Elimination with a Rhodium Phosphinite Pincer Complex","Organometallics","2006","25","9","2292","","10.1021/om060005q","","","0.71073","MoKα","","0.0431","0.0403","","","0.1026","0.1055","","","","","","1.037","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075044","13.925","0.003","17.773","0.004","36.02","0.007","90","","94.03","0.03","90","","8893","3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H124 N4 O8 P8 Rh4 -","- C72 H124 N4 O8 P8 Rh4 -","- C288 H496 N16 O32 P32 Rh16 -","4","1","","Salem, Hiyam; Ben-David, Yehoshoa; Shimon, Linda J. W.; Milstein, David","Exclusive C−C Activation and an Apparent α-H Elimination with a Rhodium Phosphinite Pincer Complex","Organometallics","2006","25","9","2292","","10.1021/om060005q","","","0.71073","MoKα","","0.0969","0.0792","","","0.1959","0.205","","","","","","1.044","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075045","8.106","0.0016","12.576","0.003","14.082","0.003","81.42","0.03","80.96","0.03","73.63","0.03","1351.9","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H38 B F4 O2 P2 Rh -","- C25 H38 B F4 O2 P2 Rh -","- C50 H76 B2 F8 O4 P4 Rh2 -","2","1","","Salem, Hiyam; Ben-David, Yehoshoa; Shimon, Linda J. W.; Milstein, David","Exclusive C−C Activation and an Apparent α-H Elimination with a Rhodium Phosphinite Pincer Complex","Organometallics","2006","25","9","2292","","10.1021/om060005q","","","0.71073","MoKα","","0.0428","0.0379","","","0.0971","0.1004","","","","","","1.017","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075046","13.295","0.002","20.45","0.003","7.3573","0.0012","90","","121.332","0.003","90","","1708.6","0.5","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H18 N2 S2 -","- C20 H18 N2 S2 -","- C80 H72 N8 S8 -","4","1","","Huynh, Han Vinh; Meier, Nicole; Pape, Tania; Hahn, F. Ekkehardt","Benzothiazolin-2-ylidene Complexes of Iridium(I)","Organometallics","2006","25","12","3012","","10.1021/om060006i","","","0.71073","MoKα","","0.054","0.0468","","","0.1022","0.1054","","","","","","1.024","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075047","20.455","0.006","11.712","0.003","14.63","0.004","90","","123.502","0.004","90","","2922.6","1.4","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 Br Ir N S -","- C15 H17 Br Ir N S -","- C120 H136 Br8 Ir8 N8 S8 -","8","1","","Huynh, Han Vinh; Meier, Nicole; Pape, Tania; Hahn, F. Ekkehardt","Benzothiazolin-2-ylidene Complexes of Iridium(I)","Organometallics","2006","25","12","3012","","10.1021/om060006i","","","0.71073","MoKα","","0.0339","0.0283","","","0.063","0.0648","","","","","","1.076","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075048","31.097","0.006","8.0329","0.0016","15.71","0.003","90","","117.387","0.003","90","","3484.5","1.2","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 Br Ir N S -","- C18 H23 Br Ir N S -","- C144 H184 Br8 Ir8 N8 S8 -","8","1","","Huynh, Han Vinh; Meier, Nicole; Pape, Tania; Hahn, F. Ekkehardt","Benzothiazolin-2-ylidene Complexes of Iridium(I)","Organometallics","2006","25","12","3012","","10.1021/om060006i","","","0.71073","MoKα","","0.0402","0.0314","","","0.062","0.0644","","","","","","1.04","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075049","15.998","0.003","13.005","0.002","16.687","0.003","90","","106.774","0.003","90","","3324.1","1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Br Ir N S -","- C18 H21 Br Ir N S -","- C144 H168 Br8 Ir8 N8 S8 -","8","2","","Huynh, Han Vinh; Meier, Nicole; Pape, Tania; Hahn, F. Ekkehardt","Benzothiazolin-2-ylidene Complexes of Iridium(I)","Organometallics","2006","25","12","3012","","10.1021/om060006i","","","0.71073","MoKα","","0.0502","0.0374","","","0.0745","0.0789","","","","","","1.01","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075050","7.515","0.002","8.107","0.003","9.083","0.003","100.577","0.006","91.178","0.006","110.396","0.005","507.7","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Br N S -","- C10 H10 Br N S -","- C20 H20 Br2 N2 S2 -","2","1","","Huynh, Han Vinh; Meier, Nicole; Pape, Tania; Hahn, F. Ekkehardt","Benzothiazolin-2-ylidene Complexes of Iridium(I)","Organometallics","2006","25","12","3012","","10.1021/om060006i","","","0.71073","MoKα","","0.0362","0.03","","","0.0707","0.0728","","","","","","1.03","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075051","13.0775","0.0004","13.4008","0.0005","22.552","0.0007","75.072","0.003","79.571","0.003","88.599","0.003","3754.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H76 P4 Pt2 -","- C88 H76 P4 Pt2 -","- C176 H152 P8 Pt4 -","2","1","","Long, Nicholas J.; Wong, Chun K.; White, Andrew J. P.","Synthesis and Spectroscopic and Electronic Characterization of New Cis-Configured Di- to Multiplatinum Alkynyls","Organometallics","2006","25","10","2525","","10.1021/om060007a","","","0.71073","MoKα","","0.0993","0.0835","","","0.1823","0.1935","","","","","","1.171","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075052","13.0807","0.0004","13.3965","0.0004","22.5451","0.0007","75.045","0.003","79.553","0.003","88.633","0.003","3752.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H76 P4 Pt2 -","- C88 H76 P4 Pt2 -","- C176 H152 P8 Pt4 -","2","1","","Long, Nicholas J.; Wong, Chun K.; White, Andrew J. P.","Synthesis and Spectroscopic and Electronic Characterization of New Cis-Configured Di- to Multiplatinum Alkynyls","Organometallics","2006","25","10","2525","","10.1021/om060007a","","","0.71073","MoKα","","0.0911","0.082","","","0.1796","0.1863","","","","","","1.194","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075053","10.8658","0.0013","14.0197","0.0017","14.3413","0.0018","61.694","0.002","69.976","0.002","81.404","0.002","1807","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H40 P Pt Si -","- C38 H39 P Pt Si -","- C76 H78 P2 Pt2 Si2 -","2","1","","Braddock-Wilking, Janet; Corey, Joyce Y.; Trankler, Kevin A.; Xu, Huan; French, Lisa M.; Praingam, Ngamjit; White, Colin; Rath, Nigam P.","Spectroscopic and Reactivity Studies of Platinum−Silicon Monomers and Dimers","Organometallics","2006","25","11","2859","","10.1021/om060009v","","","0.71073","MoKα","","0.1792","0.0803","","","0.1619","0.2093","","","","","","1.09","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075054","11.055","0.001","12.486","0.001","19.647","0.001","103.27","0.01","97.06","0.01","89.98","0.01","2618.4","0.4","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H27 Cl N O3 P Pd -","- C24 H27 Cl N O3 P Pd -","- C96 H108 Cl4 N4 O12 P4 Pd4 -","4","2","","Giannoccaro, Potenzo; Cornacchia, Daniele; Doronzo, Salvatore; Mesto, Ernesto; Quaranta, Eugenio; Aresta, Michele","Interaction of PdCl2-2-(β-diphenylphosphine)ethylpyridine Complex with Diols and CO: Synthesis of New Alkoxycarbonyl Complexes, Key Intermediates to Cyclic Carbonates","Organometallics","2006","25","11","2872","","10.1021/om060012e","","","0.71073","MoKα","","0.1586","0.0593","","0.0938","0.0644","0.0644","","","","","","1.0835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075055","11.52","0.0007","11.938","0.0007","12.5195","0.001","83.491","0.003","90.327","0.003","63.088","0.003","1522.23","0.18","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","[{-CH2PPhC(NiPr)(NHiPr)}2]","","","- C28 H44 N4 P2 -","- C28 H44 N4 P2 -","- C56 H88 N8 P4 -","2","1","","Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.","Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study","Organometallics","2006","25","10","2470","","10.1021/om060014z","","x-ray","0.71073","MoKα","","0.0803","0.0543","","","0.1149","0.1259","","","","","","1.033","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075056","9.2204","0.0007","10.0638","0.0008","11.1221","0.0009","110.804","0.005","97.381","0.005","94.342","0.004","948.53","0.13","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","[{-CH2P(Ph)C(NHcy)(Ncy)}2]","","","- C40 H60 N4 P2 -","- C40 H60 N4 P2 -","- C40 H60 N4 P2 -","1","0.5","","Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.","Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study","Organometallics","2006","25","10","2470","","10.1021/om060014z","","x-ray","0.71073","MoKα","","0.0861","0.0584","","","0.1227","0.1353","","","","","","1.077","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075057","8.0203","0.0003","9.6862","0.0005","13.319","0.0006","107.397","0.002","93.777","0.003","102.148","0.003","956.02","0.08","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H54 Al2 N4 P2 -","- C32 H54 Al2 N4 P2 -","- C32 H54 Al2 N4 P2 -","1","0.5","","Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.","Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study","Organometallics","2006","25","10","2470","","10.1021/om060014z","","x-ray","0.71073","MoKα","","0.0885","0.0584","","","0.1617","0.1944","","","","","","0.76","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075058","13.0307","0.0004","13.0404","0.0004","45.5588","0.0015","83.446","0.001","82.619","0.002","85.102","0.002","7607.6","0.4","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H54 Al2 N4 P2 -","- C32 H54 Al2 N4 P2 -","- C256 H432 Al16 N32 P16 -","8","4","","Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.","Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study","Organometallics","2006","25","10","2470","","10.1021/om060014z","","x-ray","0.71073","MoKα","","0.1375","0.096","","","0.2187","0.2375","","","","","","1.141","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075059","9.2687","0.0003","11.2746","0.0003","12.3529","0.0004","107.3","0.002","92.69","0.002","103.33","0.002","1189.98","0.07","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C44 H70 Al2 N4 P2 -","- C44 H70 Al2 N4 P2 -","- C44 H70 Al2 N4 P2 -","1","0.5","","Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.","Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study","Organometallics","2006","25","10","2470","","10.1021/om060014z","","x-ray","0.71073","MoKα","","0.0757","0.0614","","","0.16","0.1717","","","","","","1.019","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075060","16.8514","0.0008","12.2242","0.0004","25.0259","0.0011","90","","98.138","0.002","90","","5103.3","0.4","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H72 I2 N4 P2 Pt -","- C50.5 H68 I2 N4 P2 Pt -","- C202 H272 I8 N16 P8 Pt4 -","4","1","","Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.","Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study","Organometallics","2006","25","10","2470","","10.1021/om060014z","","x-ray","0.71073","MoKα","","0.0913","0.0516","","","0.091","0.1043","","","","","","1.033","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075061","11.239","0.012","17.766","0.017","9.63","0.01","90","","113.112","0.013","90","","1769","3","113.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 N2 S2 -","- C21 H21 N2 S2 -","- C84 H84 N8 S8 -","4","0.5","","Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu; Wada, Akihide","Preparation and Characterization of Luminescent SCS and NCN Pincer Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene","Organometallics","2006","25","16","4026","","10.1021/om060016j","","","0.7107","MoKα","","","0.0359","","","","0.0515","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075062","7.5508","0.0016","14.336","0.003","15.891","0.004","90","","103.788","0.003","90","","1670.6","0.7","113.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 N2 S2 -","- C21 H14 N2 S2 -","- C84 H56 N8 S8 -","4","2","","Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu; Wada, Akihide","Preparation and Characterization of Luminescent SCS and NCN Pincer Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene","Organometallics","2006","25","16","4026","","10.1021/om060016j","","","0.7107","MoKα","","","0.0805","","","","0.1455","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075063","11.157","0.006","17.573","0.008","14.538","0.007","90","","100.779","0.008","90","","2800","2","113.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl N2 O2 Pt S4 -","- C25 H29 Cl N2 O2 Pt S4 -","- C100 H116 Cl4 N8 O8 Pt4 S16 -","4","1","","Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu; Wada, Akihide","Preparation and Characterization of Luminescent SCS and NCN Pincer Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene","Organometallics","2006","25","16","4026","","10.1021/om060016j","","","0.7107","MoKα","","","0.0568","","","","0.0741","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075064","7.964","0.004","15.43","0.007","14.702","0.007","90","","96.796","0.008","90","","1794","1.5","113.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 Cl N2 Pt S2 -","- C21 H13 Cl N2 Pt S2 -","- C84 H52 Cl4 N8 Pt4 S8 -","4","1","","Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu; Wada, Akihide","Preparation and Characterization of Luminescent SCS and NCN Pincer Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene","Organometallics","2006","25","16","4026","","10.1021/om060016j","","","0.7107","MoKα","","","0.0308","","","","0.0413","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075065","13.621","0.0002","16.99","0.0003","14.089","0.0002","90","","107.17","0.001","90","","3115.18","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Fe O4 P3 S -","- C32 H35 Fe O4 P3 S -","- C128 H140 Fe4 O16 P12 S4 -","4","1","","Imamura, Yuki; Kubo, Kazuyuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Reactions of Ring-Slipped Iron Complexes Derived from P(S)Ph-Bridged [1]Ferrocenophane: Synthesis of Bis(half-sandwich) Heterodinuclear Complexes","Organometallics","2006","25","9","2301","","10.1021/om060020v","","","0.71069","MoKα","","0.039","0.0336","","","0.0815","0.0837","","","","","","1.041","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075066","9.739","0.0001","21.077","0.0002","14.95","0.0001","90","","90.583","0.001","90","","3068.61","0.05","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Fe Mo O9 P3 S -","- C25 H31 Fe Mo O9 P3 S -","- C100 H124 Fe4 Mo4 O36 P12 S4 -","4","1","","Imamura, Yuki; Kubo, Kazuyuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Reactions of Ring-Slipped Iron Complexes Derived from P(S)Ph-Bridged [1]Ferrocenophane: Synthesis of Bis(half-sandwich) Heterodinuclear Complexes","Organometallics","2006","25","9","2301","","10.1021/om060020v","","","0.71069","MoKα","","0.0388","0.0387","","","0.0988","0.099","","","","","","1.081","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075067","9.743","0.0001","13.249","0.0001","23.155","0.0002","90","","90","","90","","2988.96","0.05","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Fe O9 P3 S W -","- C25 H31 Fe O9 P3 S W -","- C100 H124 Fe4 O36 P12 S4 W4 -","4","1","","Imamura, Yuki; Kubo, Kazuyuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Reactions of Ring-Slipped Iron Complexes Derived from P(S)Ph-Bridged [1]Ferrocenophane: Synthesis of Bis(half-sandwich) Heterodinuclear Complexes","Organometallics","2006","25","9","2301","","10.1021/om060020v","","","0.71069","MoKα","","0.0397","0.0395","","","0.1046","0.1048","","","","","","1.032","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075068","22.0107","0.0018","12.6962","0.001","15.0501","0.0013","90","","128.556","0.002","90","","3288.9","0.5","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H46 Mo O2 Si2 -","- C33 H46 Mo O2 Si2 -","- C132 H184 Mo4 O8 Si8 -","4","1","","Hirotsu, Masakazu; Nunokawa, Takehiko; Ueno, Keiji","Synthesis and Reactivity of a Donor-Free (Silyl)(silylene)molybdenum Complex: Novel Insertion Reaction of an Isocyanide into a Si−C Bond","Organometallics","2006","25","7","1554","","10.1021/om060022f","","","0.71073","MoKα","","0.0307","0.0306","","","0.0788","0.0791","","","","","","1.077","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075069","13.5552","0.0008","12.8074","0.0007","24.5519","0.0017","90","","104.986","0.002","90","","4117.4","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 Mo N O2 Si2 -","- C42 H63 Mo N O2 Si2 -","- C168 H252 Mo4 N4 O8 Si8 -","4","1","","Hirotsu, Masakazu; Nunokawa, Takehiko; Ueno, Keiji","Synthesis and Reactivity of a Donor-Free (Silyl)(silylene)molybdenum Complex: Novel Insertion Reaction of an Isocyanide into a Si−C Bond","Organometallics","2006","25","7","1554","","10.1021/om060022f","","","0.71073","MoKα","","0.0852","0.0754","","","0.1858","0.2158","","","","","","1.296","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075070","8.2305","0.0013","8.7775","0.0014","16.3203","0.0019","74.432","0.012","79.15","0.012","79.994","0.013","1106","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 Fe2 O3 P -","- C25 H23 Fe2 O3 P -","- C50 H46 Fe4 O6 P2 -","2","1","","Bitta, Joachim; Fassbender, Stefan; Reiss, Guido; Ganter, Christian","Mechanistic Insight into the Formation of Phosphaferrocene","Organometallics","2006","25","9","2394","","10.1021/om060025s","","","0.71073","MoKα","","0.0523","0.0427","","","0.0895","0.0946","","","","","","1.046","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075071","13.5223","0.0012","15.006","0.003","17.416","0.004","81.144","0.018","88.494","0.009","79.818","0.015","3436.9","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H54 B2 F30 O Ta2 -","- C68 H54 B2 F30 O Ta2 -","- C136 H108 B4 F60 O2 Ta4 -","2","1","","Sánchez-Nieves, Javier; Royo, Pascual; Mosquera, Marta E. G.","Synthesis of the Cation Complex [TaCp*Me3]+and a Comparison of Its Reactivity with That of [TaCp*Me4]†","Organometallics","2006","25","9","2331","","10.1021/om060027c","","x-ray","0.71073","MoKα","","0.0968","0.0404","","","0.0673","0.0782","","","","","","0.978","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075072","13.5964","0.001","15.9305","0.0012","19.8104","0.0015","90","","94.936","0.001","90","","4275","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H53 B O Ru Si -","- C53 H53 B O Ru Si -","- C212 H212 B4 O4 Ru4 Si4 -","4","1","","Xue, Peng; Zhu, Jun; Liu, Sheng Hua; Huang, Xin; Ng, Weng Sang; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Reactions of [Cp*Ru(H2O)(NBD)]+with Dihydrogen, Silanes, Olefins, Alkynes, and Allenes","Organometallics","2006","25","9","2344","","10.1021/om0600285","","","0.71073","MoKα","","0.0444","0.0325","","","0.0743","0.0781","","","","","","1.021","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075073","11.4214","0.0008","12.2316","0.0008","16.3587","0.0011","99.684","0.001","103.762","0.001","109.475","0.001","2014.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.25 H54 B O0.25 Ru -","- C51.25 H53 B O0.25 Ru -","- C102.5 H106 B2 O0.5 Ru2 -","2","1","","Xue, Peng; Zhu, Jun; Liu, Sheng Hua; Huang, Xin; Ng, Weng Sang; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Reactions of [Cp*Ru(H2O)(NBD)]+with Dihydrogen, Silanes, Olefins, Alkynes, and Allenes","Organometallics","2006","25","9","2344","","10.1021/om0600285","","","0.71073","MoKα","","0.0347","0.0285","","","0.0707","0.0725","","","","","","1.073","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075074","12.643","0.0009","16.8636","0.0013","17.9064","0.0013","90","","90","","90","","3817.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H51 B Ru -","- C50 H51 B Ru -","- C200 H204 B4 Ru4 -","4","1","","Xue, Peng; Zhu, Jun; Liu, Sheng Hua; Huang, Xin; Ng, Weng Sang; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Reactions of [Cp*Ru(H2O)(NBD)]+with Dihydrogen, Silanes, Olefins, Alkynes, and Allenes","Organometallics","2006","25","9","2344","","10.1021/om0600285","","","0.71073","MoKα","","0.045","0.0355","","","0.0732","0.0766","","","","","","1.002","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075075","35.387","0.003","17.511","0.001","16.885","0.001","90","","103.882","0.003","90","","10157.4","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl N2 Rh -","- C28 H32 Cl N2 Rh -","- C448 H512 Cl16 N32 Rh16 -","16","2","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","New Rhodium(I) Carbene Complexes from Carbene Transfer Reactions","Organometallics","2006","25","9","2359","","10.1021/om060030w","","","0.71069","MoKα","","0.0439","0.0321","","","0.082","0.0867","","","","","","1.072","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075076","15.9685","0.0011","48.636","0.003","16.2885","0.001","90","","90.043","0.003","90","","12650.4","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Ag F6 N4 P -","- C42 H48 Ag F6 N4 P -","- C504 H576 Ag12 F72 N48 P12 -","12","3","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","New Rhodium(I) Carbene Complexes from Carbene Transfer Reactions","Organometallics","2006","25","9","2359","","10.1021/om060030w","","","0.71073","MoKα","","0.0788","0.0384","","","0.0755","0.0863","","","","","","1.011","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075077","9.9376","0.0003","9.7772","0.0003","19.4287","0.0006","90","","96.898","0.001","90","","1874.07","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl N2 O Rh -","- C20 H24 Cl N2 O Rh -","- C80 H96 Cl4 N8 O4 Rh4 -","4","1","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","New Rhodium(I) Carbene Complexes from Carbene Transfer Reactions","Organometallics","2006","25","9","2359","","10.1021/om060030w","","","0.71073","MoKα","","0.0304","0.0257","","","0.0758","0.0773","","","","","","1.103","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075078","10.657","0.0005","12.6628","0.0006","19.749","0.001","90","","90","","90","","2665.1","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H36 Ag Cl N2 -","- C27 H36 Ag Cl N2 -","- C108 H144 Ag4 Cl4 N8 -","4","0.5","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","New Rhodium(I) Carbene Complexes from Carbene Transfer Reactions","Organometallics","2006","25","9","2359","","10.1021/om060030w","","","0.71073","MoKα","","0.0318","0.0213","","","0.0579","0.0623","","","","","","1.068","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075079","35.665","0.015","10.282","0.004","20.27","0.009","90","0.0015","103.114","0.0017","90","0.0015","7239","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H45 Cl3 Ge O3 -","- C34 H45 Cl3 Ge O3 -","- C272 H360 Cl24 Ge8 O24 -","8","1","","Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru","Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand","Organometallics","2006","25","14","3388","","10.1021/om060031o","","","0.7107","MoKα","","0.0788","0.0719","","","0.1762","0.1799","","","","","","1.199","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075080","10.093","0.003","11.968","0.004","14.947","0.005","97.379","0.004","98.341","0.004","105.019","0.004","1699.1","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H45 F3 Ge O3 -","- C34 H46.134 F3 Ge O3 -","- C68 H92.268 F6 Ge2 O6 -","2","1","","Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru","Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand","Organometallics","2006","25","14","3388","","10.1021/om060031o","","","0.7107","MoKα","","0.0357","0.033","","","0.0819","0.0866","","","","","","1.14","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075081","19.7087","0.0005","19.7087","0.0005","19.7087","0.0005","90","","90","","90","","7655.5","0.3","120","2","120","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C40 H51 Br3 Ge O3 -","- C37 H48 Br3 Ge O3 -","- C296 H384 Br24 Ge8 O24 -","8","0.333333","","Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru","Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand","Organometallics","2006","25","14","3388","","10.1021/om060031o","","","0.7107","MoKα","","0.0397","0.0392","","","0.0979","0.0983","","","","","","1.173","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075082","19.9244","0.0005","19.9244","0.0005","19.9244","0.0005","90","","90","","90","","7909.6","0.3","120","2","120","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C37 H48 Ge I3 O3 -","- C37 H48 Ge I3 O3 -","- C296 H384 Ge8 I24 O24 -","8","0.333333","","Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru","Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand","Organometallics","2006","25","14","3388","","10.1021/om060031o","","","0.7107","MoKα","","0.0592","0.0536","","","0.1592","0.1634","","","","","","1.073","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075083","8.4991","0.0009","11.1497","0.0012","14.3709","0.0015","80.216","0.002","73.291","0.002","85.197","0.002","1284.5","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H27 Au Cl Ge I N2 Si2 -","- C19 H27 Au Cl Ge I N2 Si2 -","- C38 H54 Au2 Cl2 Ge2 I2 N4 Si4 -","2","1","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.1076","0.0951","","","0.2724","0.2814","","","","","","1.038","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075084","22.2933","0.0008","22.2933","0.0008","14.1706","0.0007","90","","90","","90","","7042.7","0.5","293","2","293","2","","","","","","","","9","P -4 21 c","P -4 2n","114","","","","- C108 H172 Cl4 Cu4 Ge4 I4 N8 O8 Si8 -","- C108 H172 Cl4 Cu4 Ge4 I4 N8 O8 Si8 -","- C216 H344 Cl8 Cu8 Ge8 I8 N16 O16 Si16 -","2","0.25","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.1191","0.0509","","","0.1132","0.1467","","","","","","0.916","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075085","18.195","0.004","11.688","0.002","11.192","0.002","90","","99.29","0.03","90","","2348.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 B Ge N2 Si2 -","- C19 H31 B Ge N2 Si2 -","- C76 H124 B4 Ge4 N8 Si8 -","4","1","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.0585","0.0542","","","0.149","0.1591","","","","","","1.165","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075086","8.3622","0.0017","11.227","0.002","16.899","0.003","107.28","0.03","90.39","0.03","100.47","0.03","1486.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H32 Ge N2 Si2 -","- C27 H32 Ge N2 Si2 -","- C54 H64 Ge2 N4 Si4 -","2","1","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.0571","0.0524","","","0.1413","0.1486","","","","","","1.062","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075087","11.66","0.01","12.74","0.01","14.135","0.006","90.94","0.04","98.8","0.03","94.91","0.02","2066","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H55 Al N4 Si4 -","- C38 H55 Al N4 Si4 -","- C76 H110 Al2 N8 Si8 -","2","1","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.0903","0.0663","","","0.1564","0.17","","","","","","1.073","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4075088","9.886","0.004","13.942","0.005","19.366","0.007","90","","103.139","0.008","90","","2599.4","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H36 Ge N2 Si2 -","- C23 H36 Ge N2 Si2 -","- C92 H144 Ge4 N8 Si8 -","4","1","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.0953","0.0453","","","0.1003","0.113","","","","","","0.878","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075089","15.4011","0.0007","24.5315","0.0011","21.9725","0.001","90","","99.8","0.001","90","","8180.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H75 Ge4 Li O3 -","- C84 H75 Ge4 Li O3 -","- C336 H300 Ge16 Li4 O12 -","4","1","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.1985","0.0812","","","0.2376","0.278","","","","","","0.942","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075090","15.4011","0.0007","24.5315","0.0011","21.9725","0.001","90","","99.8","0.001","90","","8180.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H80 Ge4 Li O3.5 -","- C86 H80 Ge4 Li O3.5 -","- C344 H320 Ge16 Li4 O14 -","4","1","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.1368","0.0658","","","0.1795","0.2129","","","","","","0.894","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075091","9.6135","0.0007","19.6956","0.0017","16.2506","0.0012","90","","95.3","0.003","90","","3063.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H49 P Zr -","- C33 H49 P Zr -","- C132 H196 P4 Zr4 -","4","1","","Bradley, Christopher A.; Keresztes, Ivan; Lobkovsky, Emil; Chirik, Paul J.","The ""Indenyl Effect"" in Zirconocene Dihydride Chemistry","Organometallics","2006","25","8","2080","","10.1021/om060035t","","","0.71073","MoKα","","0.0567","0.0323","","","0.0652","0.0715","","","","","","1.022","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075092","16.8836","0.0005","7.7972","0.0003","17.912","0.0006","90","","90","","90","","2358.02","0.14","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N3 Pt -","- C12 H15 N3 Pt -","- C96 H120 N24 Pt8 -","8","1","","Britovsek, George J. P.; Taylor, Russell A.; Sunley, Glenn J.; Law, David J.; White, Andrew J. P.","Protonation of Platinum(II) Dialkyl Complexes Containing Ligands with Proximate H-Bonding Substituents","Organometallics","2006","25","8","2074","","10.1021/om060036l","","","0.71073","MoKα","","0.0478","0.0472","","","0.1227","0.1233","","","","","","1.279","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075093","14.72","0.004","19.528","0.005","13.172","0.003","90","","109.675","0.003","90","","3565.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H35 Ir N2 O2 -","- C47 H35 Ir N2 O2 -","- C188 H140 Ir4 N8 O8 -","4","1","","Zhao, Qiang; Jiang, Chang-Yun; Shi, Mei; Li, Fu-You; Yi, Tao; Cao, Yong; Huang, Chun-Hui","Synthesis and Photophysical, Electrochemical, and Electrophosphorescent Properties of a Series of Iridium(III) Complexes Based on Quinoline Derivatives and Different β-Diketonate Ligands","Organometallics","2006","25","15","3631","","10.1021/om060037d","","","0.71073","MoKα","","0.0421","0.0276","","","0.0622","0.068","","","","","","1.025","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075094","13.9461","0.001","15.973","0.0012","16.2461","0.0016","71.238","0.015","77.455","0.015","67.386","0.015","3145.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H48 Cl4 Ir2 N4 O4 S4 -","- C64 H46 Cl3.96 Ir2 N4 O4 S4 -","- C128 H92 Cl7.92 Ir4 N8 O8 S8 -","2","1","","Zhao, Qiang; Jiang, Chang-Yun; Shi, Mei; Li, Fu-You; Yi, Tao; Cao, Yong; Huang, Chun-Hui","Synthesis and Photophysical, Electrochemical, and Electrophosphorescent Properties of a Series of Iridium(III) Complexes Based on Quinoline Derivatives and Different β-Diketonate Ligands","Organometallics","2006","25","15","3631","","10.1021/om060037d","","","0.71073","MoKα","","0.0697","0.0427","","","0.1042","0.1208","","","","","","1.01","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075095","19.2582","0.0014","8.7467","0.0007","26.2846","0.0019","90","","100.592","0.001","90","","4352.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H33 N2 P Ru -","- C20 H33 N2 P Ru -","- C160 H264 N16 P8 Ru8 -","8","1","","Zheng, Wenjun; Zhang, Guozhen; Fan, Kangnian","Synthesis and Characterization of η5-1,2,4-Diazaphospholide Complexes of Ruthenium†","Organometallics","2006","25","7","1548","","10.1021/om060041p","","","0.71073","MoKα","","0.0439","0.0346","","","0.0779","0.0811","","","","","","0.988","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075096","18.859","0.002","9.659","0.001","21.97","0.002","90","","105.588","0.005","90","","3854.8","0.7","296.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 N O P2 Pd S -","- C43 H37 N O P2 Pd S -","- C172 H148 N4 O4 P8 Pd4 S4 -","4","1","","Kamiya, Ikuyo; Kawakami, Jun-ichi; Yano, Shigenobu; Nomoto, Akihiro; Ogawa, Akiya","A Highly Regioselective Cyanothiolation of Alkynes via Oxidative Addition of Thiocyanates to Tetrakis(triphenylphosphine)palladium(0) Catalyst","Organometallics","2006","25","15","3562","","10.1021/om0600442","","","0.7107","MoKα","","","0.042","","","","0.049","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075097","9.4075","0.0018","15.683","0.003","16.292","0.003","104.389","0.005","102.912","0.005","103.148","0.005","2165.1","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H62 O2 S2 Ti -","- C47.5 H62 O2 S2 Ti -","- C95 H124 O4 S4 Ti2 -","2","1","","Beckerle, Klaus; Manivannan, Ramanujachary; Spaniol, Thomas P.; Okuda, Jun","Living Isospecific Styrene Polymerization by Chiral Benzyl Titanium Complexes That Contain a Tetradentate [OSSO]-Type Bis(phenolato) Ligand","Organometallics","2006","25","12","3019","","10.1021/om060047e","","","0.71073","MoKα","","0.0561","0.0422","","","0.1011","0.1083","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075098","17.5899","0.0008","17.7225","0.0008","16.846","0.0008","90","","99.053","0.001","90","","5186.1","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Cu F6 N4 P -","- C54 H72 Cu F6 N4 P -","- C216 H288 Cu4 F24 N16 P4 -","4","0.5","","Díez-González, Silvia; Scott, Natalie M.; Nolan, Steven P.","Cationic Copper(I) Complexes as Efficient Precatalysts for the Hydrosilylation of Carbonyl Compounds","Organometallics","2006","25","9","2355","","10.1021/om0600487","","","0.71073","MoKα","","0.0551","0.0539","","","0.1639","0.165","","","","","","1.246","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075099","25.989","0.0009","25.989","0.0009","33.365","0.002","90","","90","","90","","22535.7","1.7","150","2","150","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C55 H68 B Cl2 Cu F4 N4 -","- C55 H68 B Cl2 Cu F4 N4 -","- C880 H1088 B16 Cl32 Cu16 F64 N64 -","16","1","","Díez-González, Silvia; Scott, Natalie M.; Nolan, Steven P.","Cationic Copper(I) Complexes as Efficient Precatalysts for the Hydrosilylation of Carbonyl Compounds","Organometallics","2006","25","9","2355","","10.1021/om0600487","","","0.71073","MoKα","","0.1081","0.0921","","","0.2125","0.2235","","","","","","1.112","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075100","11.39","0.0002","13.595","0.0002","14.5","0.0003","90","","102.357","0.0008","90","","2193.27","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H39 Cl Ir N P2 -","- C16 H39 Cl Ir N P2 -","- C64 H156 Cl4 Ir4 N4 P8 -","4","1","","Clarke, Zaheer E.; Maragh, Paul T.; Dasgupta, Tara P.; Gusev, Dmitry G.; Lough, Alan J.; Abdur-Rashid, Kamaluddin","A Family of Active Iridium Catalysts for Transfer Hydrogenation of Ketones","Organometallics","2006","25","17","4113","","10.1021/om060049z","","","0.71073","MoKα","","0.0417","0.0361","","","0.0891","0.093","","","","","","1.026","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4075101","18.722","0.011","8.699","0.004","24.36","0.014","90","","99.21","0.04","90","","3916","4","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(3,5-dimethylpyrazol-1-yl)acetato-chloro- (2-tolylvinylidene-triphenylphosphine)-ruthenium(ii)","","- C40 H40 Cl3 N4 O2 P Ru -","- C40 H40 Cl3 N4 O2 P Ru -","- C160 H160 Cl12 N16 O8 P4 Ru4 -","4","1","","Kopf, Henning; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai","Ruthenium Carbene, Vinylidene, and Allenylidene Complexes with a Bis(3,5-dimethylpyrazol-1-yl)acetato Heteroscorpionate Ligand","Organometallics","2006","25","10","2533","","10.1021/om060050y","","","0.71073","MoKα","","0.145","0.1011","","","0.2501","0.2732","","","","","","1.096","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075102","10.059","0.005","11.478","0.004","15.463","0.004","82.19","0.014","71.12","0.03","78.79","0.02","1651.9","1.1","158","2","158","2","","","","","","","","7","P -1","-P 1","2","","Bis(3,5-dimethylpyrazol-1-yl)acetato-chloro- carbonyl-triphenylphosphine-ruthenium(ii)","","- C32 H32 Cl3 N4 O3 P Ru -","- C32 H32 Cl3 N4 O3 P Ru -","- C64 H64 Cl6 N8 O6 P2 Ru2 -","2","1","","Kopf, Henning; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai","Ruthenium Carbene, Vinylidene, and Allenylidene Complexes with a Bis(3,5-dimethylpyrazol-1-yl)acetato Heteroscorpionate Ligand","Organometallics","2006","25","10","2533","","10.1021/om060050y","","","0.71073","MoKα","","0.0524","0.0434","","","0.1251","0.1305","","","","","","1.098","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075103","10.254","0.003","14.407","0.006","22.05","0.008","90","","92.597","0.018","90","","3254","2","188","2","188","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(3,5-dimethylpyrazol-1-yl)acetato-chloro- (2-oxacyclohexylidene)-triphenylphosphine-ruthenium(ii)","","- C35 H38 Cl N4 O3 P Ru -","- C35 H38 Cl N4 O3 P Ru -","- C140 H152 Cl4 N16 O12 P4 Ru4 -","4","1","","Kopf, Henning; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai","Ruthenium Carbene, Vinylidene, and Allenylidene Complexes with a Bis(3,5-dimethylpyrazol-1-yl)acetato Heteroscorpionate Ligand","Organometallics","2006","25","10","2533","","10.1021/om060050y","","","0.71073","MoKα","","0.0608","0.0429","","","0.098","0.1064","","","","","","1.053","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075104","12.445","0.006","15.072","0.008","25.059","0.011","87.26","0.04","77.12","0.03","80.99","0.04","4525","4","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","Bis(3,5-dimethylpyrazol-1-yl)acetato-chloro- (3,3-diphenylallenylidene)-triphenylphosphine-ruthenium(ii)","","- C91.5 H81.5 Cl6.5 N8 O4 P2 Ru2 -","- C91.5 H81.5 Cl6.5 N8 O4 P2 Ru2 -","- C183 H163 Cl13 N16 O8 P4 Ru4 -","2","1","","Kopf, Henning; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai","Ruthenium Carbene, Vinylidene, and Allenylidene Complexes with a Bis(3,5-dimethylpyrazol-1-yl)acetato Heteroscorpionate Ligand","Organometallics","2006","25","10","2533","","10.1021/om060050y","","","0.71073","MoKα","","0.0934","0.0742","","","0.1937","0.2087","","","","","","1.031","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075105","12.451","0.004","12.551","0.007","14.899","0.009","91.81","0.04","99.29","0.03","101.42","0.03","2247","2","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","Bis(3,5-dimethylpyrazol-1-yl)acetato-chloro- (3,3-diphenylallenylidene)-triphenylphosphine-ruthenium(ii)","","- C47 H44 Cl5 N4 O2 P Ru -","- C47 H44 Cl5 N4 O2 P Ru -","- C94 H88 Cl10 N8 O4 P2 Ru2 -","2","1","","Kopf, Henning; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai","Ruthenium Carbene, Vinylidene, and Allenylidene Complexes with a Bis(3,5-dimethylpyrazol-1-yl)acetato Heteroscorpionate Ligand","Organometallics","2006","25","10","2533","","10.1021/om060050y","","","0.71073","MoKα","","0.0918","0.0542","","","0.1088","0.1238","","","","","","1.007","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075106","39.707","0.008","8.47","0.0017","22.556","0.005","90","","90.54","0.03","90","","7586","3","149","2","149","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Ge -","- C20 H30 Ge -","- C320 H480 Ge16 -","16","2","","Schenk, Christian; Schnepf, Andreas","Molecular Structure in the Solid State of Bis(pentamethylcyclopentadienyl)germanium","Organometallics","2006","25","9","2378","","10.1021/om060051q","","","0.71073","MoKα","","0.0741","0.0431","","","0.0814","0.0895","","","","","","1.022","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075107","26.0737","0.0003","18.9165","0.0002","16.9219","0.0002","90","","120.96","0.0006","90","","7157.17","0.15","123","1","123","1","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H90 La2 O16 S4 -","- C68 H90 La2 O16 S4 -","- C272 H360 La8 O64 S16 -","4","0.5","","Fischbach, Andreas; Perdih, Franc; Herdtweck, Eberhardt; Anwander, Reiner","Structure−Reactivity Relationships in Rare-Earth Metal Carboxylate-Based Binary Ziegler-Type Catalysts","Organometallics","2006","25","7","1626","","10.1021/om060052i","","","0.71073","MoKα","","0.0269","0.0221","","","0.0498","0.052","","","","","","1.023","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075108","9.6455","0.0001","15.2867","0.0002","15.6504","0.0002","116.941","0.0005","99.3467","0.0007","94.9344","0.0007","1996.17","0.04","123","1","123","1","","","","","","","see text","5","P -1","-P 1","2","","not known","","- C36 H51 Nd O9 S3 -","- C36 H51 Nd O9 S3 -","- C72 H102 Nd2 O18 S6 -","2","1","","Fischbach, Andreas; Perdih, Franc; Herdtweck, Eberhardt; Anwander, Reiner","Structure−Reactivity Relationships in Rare-Earth Metal Carboxylate-Based Binary Ziegler-Type Catalysts","Organometallics","2006","25","7","1626","","10.1021/om060052i","","","0.71073","MoKα","","0.0201","0.0196","","","0.0502","0.0504","","","","","","1.08","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075109","10.0759","0.0001","10.0962","0.0001","19.237","0.0002","90","","104.233","0.0003","90","","1896.88","0.03","153","1","153","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 Al2 O4 -","- C36 H58 Al2 O4 -","- C72 H116 Al4 O8 -","2","0.5","","Fischbach, Andreas; Perdih, Franc; Herdtweck, Eberhardt; Anwander, Reiner","Structure−Reactivity Relationships in Rare-Earth Metal Carboxylate-Based Binary Ziegler-Type Catalysts","Organometallics","2006","25","7","1626","","10.1021/om060052i","","","0.71073","MoKα","","0.0388","0.0348","","","0.0913","0.0945","","","","","","1.028","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075110","23.7992","0.0002","19.6717","0.0001","15.1649","0.0001","90","","114.63","0.0003","90","","6453.84","0.08","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H106 Al4 La2 O4 -","- C54 H106 Al4 La2 O4 -","- C216 H424 Al16 La8 O16 -","4","0.5","","Fischbach, Andreas; Perdih, Franc; Herdtweck, Eberhardt; Anwander, Reiner","Structure−Reactivity Relationships in Rare-Earth Metal Carboxylate-Based Binary Ziegler-Type Catalysts","Organometallics","2006","25","7","1626","","10.1021/om060052i","","","0.71073","MoKα","","0.0348","0.0244","","","0.0564","0.0602","","","","","","1.039","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075111","23.5611","0.0002","19.4031","0.0001","15.2363","0.0001","90","","113.59","0.0003","90","","6383.32","0.08","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H106 Al4 Nd2 O4 -","- C54 H106 Al4 Nd2 O4 -","- C216 H424 Al16 Nd8 O16 -","4","0.5","","Fischbach, Andreas; Perdih, Franc; Herdtweck, Eberhardt; Anwander, Reiner","Structure−Reactivity Relationships in Rare-Earth Metal Carboxylate-Based Binary Ziegler-Type Catalysts","Organometallics","2006","25","7","1626","","10.1021/om060052i","","","0.71073","MoKα","","0.023","0.0179","","","0.0397","0.0415","","","","","","1.023","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075112","17.4418","0.0005","17.9056","0.0005","17.6865","0.0005","90","","96.299","0.001","90","","5490.3","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H35 B9 I Mo N O4 -","- C19 H35 B9 I Mo N O4 -","- C152 H280 B72 I8 Mo8 N8 O32 -","8","2","","Lei, Peng; McGrath, Thomas D.; Stone, F. Gordon A.","Oxidation of the Bis-molybdenum(0) Trianion [1,3,6-{Mo(CO)3}-3,6-(μ-H)2-1,1,1-(CO)3-2-Ph-closo-1,2-MoCB9H7]3-: Metal and Boron Vertex Substitution and Cluster Expansion§","Organometallics","2006","25","8","2011","","10.1021/om0600543","","","0.71073","MoKα","","0.0422","0.0276","","","0.0633","0.0677","","","","","","1.038","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075113","14.867","0.003","17.634","0.003","17.202","0.003","90","","90","","90","","4509.8","1.4","110","2","110","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C37 H70 B9 Mo N5 -","- C37 H70 B9 Mo N5 -","- C148 H280 B36 Mo4 N20 -","4","0.5","","Lei, Peng; McGrath, Thomas D.; Stone, F. Gordon A.","Oxidation of the Bis-molybdenum(0) Trianion [1,3,6-{Mo(CO)3}-3,6-(μ-H)2-1,1,1-(CO)3-2-Ph-closo-1,2-MoCB9H7]3-: Metal and Boron Vertex Substitution and Cluster Expansion§","Organometallics","2006","25","8","2011","","10.1021/om0600543","","","0.71073","MoKα","","0.0472","0.0373","","","0.0907","0.0946","","","","","","1.018","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075114","12.1448","0.0007","16.2297","0.0011","29.596","0.002","90","","90","","90","","5833.6","0.7","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H42 B9 Mo N3 O -","- C22 H42 B9 Mo N3 O -","- C176 H336 B72 Mo8 N24 O8 -","8","1","","Lei, Peng; McGrath, Thomas D.; Stone, F. Gordon A.","Oxidation of the Bis-molybdenum(0) Trianion [1,3,6-{Mo(CO)3}-3,6-(μ-H)2-1,1,1-(CO)3-2-Ph-closo-1,2-MoCB9H7]3-: Metal and Boron Vertex Substitution and Cluster Expansion§","Organometallics","2006","25","8","2011","","10.1021/om0600543","","","0.71073","MoKα","","0.0651","0.0352","","","0.0774","0.0863","","","","","","1.03","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075115","10.724","0.002","15.387","0.003","19.162","0.004","98.622","0.009","96.983","0.009","99.202","0.009","3051.5","1.1","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H56 B9 Cl2 Mo2 N O4 P2 S2 -","- C60 H56 B9 Cl2 Mo2 N O4 P2 S2 -","- C120 H112 B18 Cl4 Mo4 N2 O8 P4 S4 -","2","1","","Lei, Peng; McGrath, Thomas D.; Stone, F. Gordon A.","Oxidation of the Bis-molybdenum(0) Trianion [1,3,6-{Mo(CO)3}-3,6-(μ-H)2-1,1,1-(CO)3-2-Ph-closo-1,2-MoCB9H7]3-: Metal and Boron Vertex Substitution and Cluster Expansion§","Organometallics","2006","25","8","2011","","10.1021/om0600543","","","0.71073","MoKα","","0.0406","0.0329","","","0.0836","0.0887","","","","","","1.017","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075116","8.9777","0.0002","9.3145","0.0002","24.3328","0.0006","90","","93.1687","0.0012","90","","2031.67","0.08","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br P S -","- C22 H22 Br P S -","- C88 H88 Br4 P4 S4 -","4","1","","Fischer, Jan; Schürmann, Markus; Mehring, Michael; Zachwieja, Uwe; Jurkschat, Klaus","The First O,C,S-Coordinating Pincer-Type Ligand and Its Application to the Synthesis of a Triorganotin Cation Stabilized by Two Different Donor Atoms†","Organometallics","2006","25","11","2886","","10.1021/om0600590","","","0.71073","MoKα","","0.0783","0.0317","","","0.0533","0.0592","","","","","","0.864","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075117","11.2637","0.001","14.92","0.002","17.289","0.002","84.923","0.004","89.342","0.007","77.652","0.007","2827.1","0.6","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 O3 P2 S -","- C28 H36 O3 P2 S -","- C112 H144 O12 P8 S4 -","4","2","","Fischer, Jan; Schürmann, Markus; Mehring, Michael; Zachwieja, Uwe; Jurkschat, Klaus","The First O,C,S-Coordinating Pincer-Type Ligand and Its Application to the Synthesis of a Triorganotin Cation Stabilized by Two Different Donor Atoms†","Organometallics","2006","25","11","2886","","10.1021/om0600590","","","0.71073","MoKα","","0.11","0.0422","","","0.0789","0.0859","","","","","","0.775","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075118","12.3286","0.0009","13.3439","0.0008","15.2367","0.0008","113.043","0.003","92.551","0.004","104.67","0.003","2202.2","0.2","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","","","- C46.6 H51.2 Cl1.2 O3 P2 S Sn -","- C46.6 H50 Cl1.2 O3 P2 S Sn -","- C93.2 H100 Cl2.4 O6 P4 S2 Sn2 -","2","1","","Fischer, Jan; Schürmann, Markus; Mehring, Michael; Zachwieja, Uwe; Jurkschat, Klaus","The First O,C,S-Coordinating Pincer-Type Ligand and Its Application to the Synthesis of a Triorganotin Cation Stabilized by Two Different Donor Atoms†","Organometallics","2006","25","11","2886","","10.1021/om0600590","","","0.71073","MoKα","","0.1156","0.0455","","","0.0693","0.0766","","","","","","0.775","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075119","11.1588","0.0005","11.8227","0.0011","16.2506","0.0014","88.244","0.003","74.999","0.005","86.297","0.005","2066.3","0.3","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","","","- C40 H45 F6 O3 P3 S Sn -","- C40 H45 F6 O3 P3 S Sn -","- C80 H90 F12 O6 P6 S2 Sn2 -","2","1","","Fischer, Jan; Schürmann, Markus; Mehring, Michael; Zachwieja, Uwe; Jurkschat, Klaus","The First O,C,S-Coordinating Pincer-Type Ligand and Its Application to the Synthesis of a Triorganotin Cation Stabilized by Two Different Donor Atoms†","Organometallics","2006","25","11","2886","","10.1021/om0600590","","","0.71073","MoKα","","0.0936","0.039","","","0.0551","0.061","","","","","","0.724","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075120","7.9484","0.0004","16.5723","0.0008","20.6387","0.001","90","","99.693","0.001","90","","2679.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1104 [Mo(PNP-iPr)(CO)3].CH3CN","","","- C22 H36 Mo N4 O3 P2 -","- C22 H36 Mo N4 O3 P2 -","- C88 H144 Mo4 N16 O12 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0239","0.022","","","0.0566","0.0575","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075121","8.7608","0.0004","16.0486","0.0007","21.8824","0.0009","90","","97.572","0.001","90","","3049.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1112 [Mo(PNP-tBu)(CO)3].CH3CN","","","- C26 H44 Mo N4 O3 P2 -","- C26 H44 Mo N4 O3 P2 -","- C104 H176 Mo4 N16 O12 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0222","0.0201","","","0.0497","0.0508","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075122","8.1066","0.0004","13.3085","0.0008","15.5256","0.0008","102.783","0.001","92.557","0.001","107.697","0.001","1544.87","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","1111 [Mo(PNP-iPr)(CO)3(I)].(I3)","","","- C20 H33 I4 Mo N3 O3 P2 -","- C20 H33 I4 Mo N3 O3 P2 -","- C40 H66 I8 Mo2 N6 O6 P4 -","2","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0229","0.0216","","","0.0537","0.0543","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075123","8.2485","0.0007","16.9509","0.0014","20.8763","0.0017","90","","95.749","0.002","90","","2904.2","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1106 [Mo(PNP-iPr)(CO)2(CH3CN)(I)]I","","","- C21 H36 I2 Mo N4 O2 P2 -","- C21 H36 I2 Mo N4 O2 P2 -","- C84 H144 I8 Mo4 N16 O8 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0458","0.0405","","","0.0908","0.0945","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075124","16.3735","0.0008","11.6332","0.0006","24.4946","0.0013","90","","99.322","0.001","90","","4604","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","857 [Fe(PNP-Ph)(CH3CN)3](BF4)2+3(CH3CN)","","","- C41 H43 B2 F8 Fe N9 P2 -","- C41 H43 B2 F8 Fe N9 P2 -","- C164 H172 B8 F32 Fe4 N36 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0683","0.05","","","0.1279","0.141","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075125","11.0106","0.0005","18.6305","0.0008","19.4426","0.0008","90","","90","","90","","3988.3","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","995 [Fe(PNP-iPr)(CH3CN)3](BF4)2.solv","","","- C23 H42 B2 F8 Fe N6 P2 -","- C23 H42 B1.995 F8 Fe N6 P2 -","- C92 H168 B7.98 F32 Fe4 N24 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0512","0.049","","","0.1334","0.1366","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075126","12.5467","0.0007","18.0244","0.0011","19.2853","0.0011","101.294","0.001","99.336","0.001","94.203","0.001","4195.3","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","1045 [Fe(PNP-BIPOL)(CH3CN)3](BF4)2.solv","","","- C35 H30 B2 F8 Fe N6 O4 P2 -","- C35 H30 B2 F8 Fe N6 O4 P2 -","- C140 H120 B8 F32 Fe4 N24 O16 P8 -","4","2","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0527","0.042","","","0.1158","0.1237","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075127","8.8343","0.0004","11.0454","0.0005","35.9063","0.0018","90","","90","","90","","3503.7","0.3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","1055 [Fe(PNP-TarMe)(CH3CN)3](BF4)2","","","- C23 H30 B2 F8 Fe N6 O12 P2 -","- C23 H30 B2 F8 Fe N6 O12 P2 -","- C92 H120 B8 F32 Fe4 N24 O48 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0329","0.0321","","","0.0828","0.0834","","","","","","1.1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075128","11.6591","0.0006","11.67","0.0006","22.4063","0.0011","94.318","0.001","90.115","0.001","115.918","0.001","2732.2","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","1122 [Fe(Phenyltriazine-PNP-Ph)(CH3CN)3](BF4)2.3C2H4Cl2.H2O","","","- C45 H50 B2 Cl6 F8 Fe N8 O P2 -","- C45 H50 B2.002 Cl6 F8.012 Fe N8 O P2 -","- C90 H100 B4.004 Cl12 F16.024 Fe2 N16 O2 P4 -","2","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0441","0.0373","","","0.0987","0.1044","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075129","12.7153","0.0006","13.1428","0.0006","13.1741","0.0006","63.936","0.001","73.814","0.001","86.801","0.001","1893.62","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","1042 [Fe(PNP-BIPOL)(CH3CN)3].BF4.CH3CN","","","- C37 H32 B F4 Fe N7 O4 P2 -","- C37 H32 B F4 Fe N7 O4 P2 -","- C74 H64 B2 F8 Fe2 N14 O8 P4 -","2","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0436","0.0359","","","0.0933","0.1002","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075130","11.659","0.002","13.706","0.003","24.476","0.005","89.319","0.004","79.691","0.004","87.069","0.004","3843","1.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","869 [Fe(PNP-Ph)(bipy)(CH3CN)](BPh4)2.solv","","","- C89 H76 B2 Fe N6 P2 -","- C89 H76 B2 Fe N6 P2 -","- C178 H152 B4 Fe2 N12 P4 -","2","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0704","0.0515","","","0.1339","0.1422","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075131","10.9571","0.0005","14.155","0.0006","31.6243","0.0015","90","","90","","90","","4904.9","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","872 [Fe(PNP-Ph)(terpy)](BF4)2.solv","","","- C44 H36 B2 F8 Fe N6 P2 -","- C44 H36 B2 F8 Fe N6 P2 -","- C176 H144 B8 F32 Fe4 N24 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0476","0.044","","","0.1109","0.1128","","","","","","1.088","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075132","25.3728","0.0004","25.3728","0.0004","25.3728","0.0004","90","","90","","90","","16334.5","0.4","173","2","173","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","934 [Fe(PNP-Ph)2](BF4)2","","","- C58 H50 B2 F8 Fe N6 P4 -","- C58 H50 B1.72 F9.30533 Fe N6 P4 -","- C696 H600 B20.64 F111.664 Fe12 N72 P48 -","12","0.25","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0606","0.0449","","","0.1134","0.1305","","","","","","1.07","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075133","10.236","0.007","13.506","0.014","18.298","0.013","107.63","0.02","93.4","0.01","93.13","0.01","2400","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","1092 [Ru(PNP-BIPOL)(PPh3)(Cl)2].2CH2Cl2","","","- C49 H40 Cl6 N3 O4 P3 Ru -","- C49 H40 Cl6 N3 O4 P3 Ru -","- C98 H80 Cl12 N6 O8 P6 Ru2 -","2","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.1211","0.1164","","","0.2162","0.2309","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075134","12.5635","0.0006","14.9548","0.0007","18.4417","0.0009","90","","90","","90","","3464.9","0.3","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","859 [Ni(PNP-Ph)(Br)].Br.solv","","","- C29 H25 Br2 N3 Ni P2 -","- C29 H25 Br2 N3 Ni P2 -","- C116 H100 Br8 N12 Ni4 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0504","0.0409","","","0.1014","0.106","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075135","7.8079","0.0004","7.9355","0.0004","22.658","0.0011","80.501","0.001","88.178","0.001","80.752","0.001","1366.61","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","1125 [Ni(PNP-tBu)(Br)]Br.(MeOH)0.5","","","- C43 H86 Br4 N6 Ni2 O P4 -","- C43 H86 Br4 N6 Ni2 O P4 -","- C43 H86 Br4 N6 Ni2 O P4 -","1","0.5","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0253","0.0218","","","0.0535","0.0549","","","","","","1.025","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075136","11.9574","0.0006","24.899","0.0012","11.8565","0.0006","90","","102.277","0.002","90","","3449.3","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","991 [Pd(PNP-tBu)(Cl)].Cl.2CH2Cl2","","","- C23 H45 Cl6 N3 P2 Pd -","- C22.807 H44.614 Cl5.614 N3 P2 Pd -","- C91.228 H178.456 Cl22.456 N12 P8 Pd4 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0309","0.0296","","","0.0773","0.0782","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075137","12.9005","0.0018","16.118","0.003","20.204","0.003","90.731","0.003","107.214","0.003","113.257","0.003","3646.3","1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","1115 2[Pd(PNP-BIPOL)(Cl)].2(CF3SO3).Et2O.2CH3CN","","","- C68 H58 Cl2 F6 N8 O15 P4 Pd2 S2 -","- C68 H58 Cl2 F6 N8 O15 P4 Pd2 S2 -","- C136 H116 Cl4 F12 N16 O30 P8 Pd4 S4 -","2","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.078","0.0518","","","0.118","0.1369","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075138","8.674","0.009","9.156","0.009","20.18","0.03","90","","90.3","0.04","90","","1603","3","113.1","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 -","- C22 H20 -","- C88 H80 -","4","1","","Obora, Yasushi; Kimura, Masahiro; Ohtake, Toshiyuki; Tokunaga, Makoto; Tsuji, Yasushi","Nickel-Catalyzed Cross-Coupling Reaction of Niobium(III)−Alkyne Complexes with Aryl Iodides","Organometallics","2006","25","8","2097","","10.1021/om060065w","","","0.7107","MoKα","","","0.047","","","","0.127","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075139","22.045","0.006","18.27","0.005","20.12","0.005","90","0.0011","107.694","0.0013","90","0.0011","7720","4","173.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C66 H70 O13 P4 Ru2 -","- C66 H70 O13 P4 Ru2 -","- C264 H280 O52 P16 Ru8 -","4","1","","Tsunawaki, Fumiaki; Ura, Yasuyuki; Kondo, Teruyuki; Iwasa, Tomomichi; Harumashi, Tatsuro; Mitsudo, Take-aki","Formation of Binuclear Ruthenium(II) Aqua Complexes and a Mononuclear Ammonia Complex Bearing P−P−O Facial Tridentate Ligands and Oxametallacycle Moieties","Organometallics","2006","25","10","2547","","10.1021/om060066o","","","0.7107","MoKα","","","0.0724","","","","0.1391","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075140","13.222","0.004","13.403","0.004","24.012","0.007","103.559","0.004","90.982","0.004","95.869","0.004","4111","2","213.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H81 Cl3 O18 P4 Ru2 -","- C71 H81.01 Cl3 O18 P4 Ru2 -","- C142 H162.02 Cl6 O36 P8 Ru4 -","2","1","","Tsunawaki, Fumiaki; Ura, Yasuyuki; Kondo, Teruyuki; Iwasa, Tomomichi; Harumashi, Tatsuro; Mitsudo, Take-aki","Formation of Binuclear Ruthenium(II) Aqua Complexes and a Mononuclear Ammonia Complex Bearing P−P−O Facial Tridentate Ligands and Oxametallacycle Moieties","Organometallics","2006","25","10","2547","","10.1021/om060066o","","","0.7107","MoKα","","","0.0786","","","","0.2277","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075141","16.3423","0.0013","11.7192","0.0011","21.574","0.003","90","","109.319","0.005","90","","3899.2","0.7","163.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Cl3 N O8 P2 Ru -","- C36 H42 Cl3 N O8 P2 Ru -","- C144 H168 Cl12 N4 O32 P8 Ru4 -","4","1","","Tsunawaki, Fumiaki; Ura, Yasuyuki; Kondo, Teruyuki; Iwasa, Tomomichi; Harumashi, Tatsuro; Mitsudo, Take-aki","Formation of Binuclear Ruthenium(II) Aqua Complexes and a Mononuclear Ammonia Complex Bearing P−P−O Facial Tridentate Ligands and Oxametallacycle Moieties","Organometallics","2006","25","10","2547","","10.1021/om060066o","","","0.71069","MoKα","","","0.0613","","","","0.0962","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075142","14.17","0.003","13.738","0.003","18.244","0.004","90","","110.26","0.03","90","","3331.8","1.4","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Al Li Mo N3 O6 -","- C31 H39 Al Li Mo N3 O6 -","- C124 H156 Al4 Li4 Mo4 N12 O24 -","4","1","","García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Rogers, Michael C.; Silvia, Jared S.; Wright, Dominic S.","Syntheses and Structure of Heterometallic Complexes Containing Tripodal Group 13 Ligands [RE(2-py)3]-(E = Al, In)†","Organometallics","2006","25","10","2561","","10.1021/om0600691","","","0.71073","MoKα","","0.0403","0.0321","","","0.0883","0.0924","","","","","","1.04","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075143","9.493","0.0019","22.857","0.005","22.727","0.005","90","","94.8","0.03","90","","4914","1.8","393","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H54 Al2 Ca N6 -","- C53 H54 Al2 Ca N6 -","- C212 H216 Al8 Ca4 N24 -","4","0.5","","García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Rogers, Michael C.; Silvia, Jared S.; Wright, Dominic S.","Syntheses and Structure of Heterometallic Complexes Containing Tripodal Group 13 Ligands [RE(2-py)3]-(E = Al, In)†","Organometallics","2006","25","10","2561","","10.1021/om0600691","","","0.71073","MoKα","","0.0674","0.049","","","0.1211","0.1312","","","","","","1.024","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075144","8.5575","0.0017","9.2395","0.0018","12.713","0.003","84.73","0.03","70.83","0.03","65.04","0.03","859.5","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Al Cl N3 Zn -","- C16 H15 Al Cl N3 Zn -","- C32 H30 Al2 Cl2 N6 Zn2 -","2","1","","García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Rogers, Michael C.; Silvia, Jared S.; Wright, Dominic S.","Syntheses and Structure of Heterometallic Complexes Containing Tripodal Group 13 Ligands [RE(2-py)3]-(E = Al, In)†","Organometallics","2006","25","10","2561","","10.1021/om0600691","","","0.71073","MoKα","","0.0731","0.056","","","0.1257","0.1301","","","","","","1.147","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075145","8.7556","0.0018","15.522","0.003","17.899","0.004","74.98","0.03","89.87","0.03","84.23","0.03","2336.8","0.9","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 In Li N3 O -","- C23 H29 In Li N3 O -","- C92 H116 In4 Li4 N12 O4 -","4","2","","García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Rogers, Michael C.; Silvia, Jared S.; Wright, Dominic S.","Syntheses and Structure of Heterometallic Complexes Containing Tripodal Group 13 Ligands [RE(2-py)3]-(E = Al, In)†","Organometallics","2006","25","10","2561","","10.1021/om0600691","","","0.71073","MoKα","","0.0732","0.0467","","","0.1198","0.1349","","","","","","1.05","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075146","17.895","0.004","17.909","0.004","10.1","0.002","90","","99.91","0.03","90","","3188.6","1.2","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 In Li Mo N3 O5 -","- C30 H37 In Li Mo N3 O5 -","- C120 H148 In4 Li4 Mo4 N12 O20 -","4","1","","García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Rogers, Michael C.; Silvia, Jared S.; Wright, Dominic S.","Syntheses and Structure of Heterometallic Complexes Containing Tripodal Group 13 Ligands [RE(2-py)3]-(E = Al, In)†","Organometallics","2006","25","10","2561","","10.1021/om0600691","","","0.71073","MoKα","","0.0458","0.0315","","","0.0688","0.0731","","","","","","1.009","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075147","17.805","0.004","8.603","0.002","19.694","0.004","90","","108.07","0.0007","90","","2867.9","1.1","293.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H35 Cl4 Ru2 S2 Sb -","- C22 H35 Cl4 Ru2 S2 Sb -","- C88 H140 Cl16 Ru8 S8 Sb4 -","4","1","","Amitsuka, Takahiko; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Mixed-Metal Sulfido Clusters Containing Noble Metals and Group 15 Metals. Stepwise Construction of Bimetallic and Trimetallic Ru2MS2(M = Sb, Bi), Ru2PdSbS2, and Ru2Pd2SbS2Cores","Organometallics","2006","25","12","3034","","10.1021/om060071s","","","0.7107","MoKα","","","0.032","","","","0.108","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075148","10.454","0.002","23.873","0.004","11.819","0.002","90","","97.8019","0.0007","90","","2922.3","0.9","293.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 Bi Cl4 Ru2 S2 -","- C22 H35 Bi Cl4 Ru2 S2 -","- C88 H140 Bi4 Cl16 Ru8 S8 -","4","1","","Amitsuka, Takahiko; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Mixed-Metal Sulfido Clusters Containing Noble Metals and Group 15 Metals. Stepwise Construction of Bimetallic and Trimetallic Ru2MS2(M = Sb, Bi), Ru2PdSbS2, and Ru2Pd2SbS2Cores","Organometallics","2006","25","12","3034","","10.1021/om060071s","","","0.7107","MoKα","","","0.028","","","","0.098","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075149","24.475","0.009","9.905","0.003","18.476","0.007","90","","90","","90","","4479","3","293.1","","","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C40 H50 Cl4 P Pd Ru2 S2 Sb -","- C40 H48 Cl4 P Pd Ru2 S2 Sb -","- C160 H192 Cl16 P4 Pd4 Ru8 S8 Sb4 -","4","1","","Amitsuka, Takahiko; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Mixed-Metal Sulfido Clusters Containing Noble Metals and Group 15 Metals. Stepwise Construction of Bimetallic and Trimetallic Ru2MS2(M = Sb, Bi), Ru2PdSbS2, and Ru2Pd2SbS2Cores","Organometallics","2006","25","12","3034","","10.1021/om060071s","","","0.7107","MoKα","","","0.043","","","","0.14","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075150","25.4","0.03","12.198","0.012","38.82","0.04","90","","106.638","0.003","90","","11524","2","293.1","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H64 Cl3 P2 Pd2 Ru2 S2 Sb -","- C58 H64 Cl3 P2 Pd2 Ru2 S2 Sb -","- C464 H512 Cl24 P16 Pd16 Ru16 S16 Sb8 -","8","1","","Amitsuka, Takahiko; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Mixed-Metal Sulfido Clusters Containing Noble Metals and Group 15 Metals. Stepwise Construction of Bimetallic and Trimetallic Ru2MS2(M = Sb, Bi), Ru2PdSbS2, and Ru2Pd2SbS2Cores","Organometallics","2006","25","12","3034","","10.1021/om060071s","","","0.7107","MoKα","","","0.05","","","","0.159","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075151","9.739","0.004","11.704","0.004","21.644","0.008","89.36","0.02","89","0.02","66.4","0.011","2260.4","1.5","293.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C42 H53 Cl3 O0.5 P Pd Ru2 S2 Sb -","- C42 H51.4 Cl3 O0.5 P Pd Ru2 S2 Sb -","- C84 H102.8 Cl6 O P2 Pd2 Ru4 S4 Sb2 -","2","1","","Amitsuka, Takahiko; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Mixed-Metal Sulfido Clusters Containing Noble Metals and Group 15 Metals. Stepwise Construction of Bimetallic and Trimetallic Ru2MS2(M = Sb, Bi), Ru2PdSbS2, and Ru2Pd2SbS2Cores","Organometallics","2006","25","12","3034","","10.1021/om060071s","","","0.7107","MoKα","","","0.035","","","","0.113","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075152","17.1751","0.0003","17.1751","0.0003","25.16","0.0007","90","","90","","90","","7421.8","0.3","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C22 H60 I La N2 Si6 -","- C22 H60 I La N2 Si6 -","- C176 H480 I8 La8 N16 Si48 -","8","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.71073","MoKα","","0.0492","0.0287","","","0.0484","0.0544","","","","","","1.085","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075153","9.6301","0.0009","12.0261","0.0005","17.3986","0.0019","94.617","0.008","94.943","0.013","109.325","0.006","1881.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H60 I La O3 Si6 -","- C24 H60 I La O3 Si6 -","- C48 H120 I2 La2 O6 Si12 -","2","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.71073","MoKα","","0.0273","0.0212","","","0.0488","0.0514","","","","","","1.066","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075154","9.9596","0.0003","11.8759","0.0004","16.6935","0.0006","95.403","0.001","92.415","0.001","103.775","0.001","1904.92","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H62 I La O3 Si6 -","- C24 H62 I La O3 Si6 -","- C48 H124 I2 La2 O6 Si12 -","2","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.71073","MoKα","","0.0477","0.0424","","","0.0867","0.0886","","","","","","1.229","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075155","27.3564","0.0006","27.3564","0.0006","9.1519","0.0004","90","","90","","90","","6849","0.4","120","2","120","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C20 H53 I La N O2 Si5 -","- C20 H53 I La N O2 Si5 -","- C160 H424 I8 La8 N8 O16 Si40 -","8","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.6768","synchrotron","","0.056","0.0343","","","0.0741","0.0812","","","","","","1.045","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075156","10.2161","0.0006","12.1819","0.0019","20.4154","0.0017","76.075","0.01","84.62","0.007","67.142","0.006","2272.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H68 I2 Li Nd O4 Si6 -","- C28 H68 I2 Li Nd O4 Si6 -","- C56 H136 I4 Li2 Nd2 O8 Si12 -","2","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.71073","MoKα","","0.0551","0.0301","","","0.0613","0.0684","","","","","","1.054","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075157","12.9819","0.0011","10.6242","0.001","32.828","0.002","90","","97.802","0.009","90","","4485.8","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H68 I2 Li Nd O4 Si6 -","- C28 H68 I2 Li Nd O4 Si6 -","- C112 H272 I8 Li4 Nd4 O16 Si24 -","4","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.71073","MoKα","","0.0612","0.046","","","0.1282","0.1396","","","","","","1.012","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075158","9.406","0.003","12.4259","0.0014","13.66","0.002","68.672","0.014","72.213","0.013","87.62","0.018","1411.8","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H76 I2 Nd2 O6 Si6 -","- C30 H76 I2 Nd2 O6 Si6 -","- C30 H76 I2 Nd2 O6 Si6 -","1","0.5","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.71073","MoKα","","0.0733","0.0522","","","0.1596","0.1757","","","","","","1.137","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075159","19.6366","0.0002","24.3191","0.0003","34.6941","0.0005","90","","90","","90","","16568","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C124 H254 Fe P6 Si24 -","- C124 H254 Fe P6 Si24 -","- C496 H1016 Fe4 P24 Si96 -","4","1","","Moser, Carmen; Nieger, Martin; Pietschnig, Rudolf","Synthesis of 1,1‘-Ferrocenylene-Bridged Bisdiphosphenes","Organometallics","2006","25","10","2667","","10.1021/om060073c","","","0.71073","MoKα","","0.139","0.0558","","","0.0902","0.1049","","","","","","0.849","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075160","9.792","0.002","8.358","0.0017","14.374","0.003","90","","99.83","0.03","90","","1159.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 O4 Os2 -","- C24 H30 O4 Os2 -","- C48 H60 O8 Os4 -","2","0.5","","Zhang, Jie; Huang, Kuo-Wei; Szalda, David J.; Bullock, R. Morris","Efficient Synthesis of the Os−Os Dimers [Cp(CO)2Os]2, [Cp*(CO)2Os]2, and [(iPr4C5H)(CO)2Os]2and Computational Studies on the Relative Stabilities of Their Geometrical Isomers","Organometallics","2006","25","9","2209","","10.1021/om060075x","","","1.54178","CuKα","","0.0542","0.0416","","","0.1001","0.1067","","","","","","1.063","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075161","24.9166","0.0002","7.1008","0.0001","22.5135","0.0002","90","","116.893","0.0004","90","","3552.49","0.07","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 I N2 Rh -","- C14 H22 Cl2 I N2 Rh -","- C112 H176 Cl16 I8 N16 Rh8 -","8","2","","Herrmann, Wolfgang A.; Schütz, Jan; Frey, Guido D.; Herdtweck, Eberhardt","N-Heterocyclic Carbenes: Synthesis, Structures, and Electronic Ligand Properties†,‡","Organometallics","2006","25","10","2437","","10.1021/om0600801","","","0.71073","MoKα","","0.0495","0.0422","","","0.0605","0.0621","","","","","","1.273","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075162","11.5467","0.0001","12.0211","0.0001","13.7354","0.0001","90","","95.6384","0.0003","90","","1897.3","0.03","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 I N4 O2 Rh -","- C17 H24 I N4 O2 Rh -","- C68 H96 I4 N16 O8 Rh4 -","4","1","","Herrmann, Wolfgang A.; Schütz, Jan; Frey, Guido D.; Herdtweck, Eberhardt","N-Heterocyclic Carbenes: Synthesis, Structures, and Electronic Ligand Properties†,‡","Organometallics","2006","25","10","2437","","10.1021/om0600801","","","0.71073","MoKα","","0.0245","0.0225","","","0.0559","0.0569","","","","","","1.054","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075163","7.4133","0.0001","16.1728","0.0001","11.6507","0.0001","90","","95.7301","0.0004","90","","1389.87","0.02","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 I N4 Rh -","- C11 H18 I N4 Rh -","- C44 H72 I4 N16 Rh4 -","4","1","","Herrmann, Wolfgang A.; Schütz, Jan; Frey, Guido D.; Herdtweck, Eberhardt","N-Heterocyclic Carbenes: Synthesis, Structures, and Electronic Ligand Properties†,‡","Organometallics","2006","25","10","2437","","10.1021/om0600801","","","0.71073","MoKα","","0.0192","0.019","","","0.0478","0.0479","","","","","","1.218","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075164","29.051","0.0002","10.0355","0.0001","28.0782","0.0002","90","","92.2956","0.0002","90","","8179.39","0.11","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 I Ir N6 -","- C16 H26 I Ir N6 -","- C256 H416 I16 Ir16 N96 -","16","2","","Herrmann, Wolfgang A.; Schütz, Jan; Frey, Guido D.; Herdtweck, Eberhardt","N-Heterocyclic Carbenes: Synthesis, Structures, and Electronic Ligand Properties†,‡","Organometallics","2006","25","10","2437","","10.1021/om0600801","","","0.71073","MoKα","","0.0249","0.0235","","","0.057","0.0576","","","","","","1.144","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075165","7.3634","0.0002","16.0249","0.0004","11.7962","0.0003","90","","93.2966","0.001","90","","1389.62","0.06","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 I Ir N3 -","- C12 H19 I Ir N3 -","- C48 H76 I4 Ir4 N12 -","4","1","","Herrmann, Wolfgang A.; Schütz, Jan; Frey, Guido D.; Herdtweck, Eberhardt","N-Heterocyclic Carbenes: Synthesis, Structures, and Electronic Ligand Properties†,‡","Organometallics","2006","25","10","2437","","10.1021/om0600801","","","0.71073","MoKα","","0.0253","0.0231","","","0.062","0.0633","","","","","","1.056","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075166","11.1584","0.0004","11.1584","0.0004","10.1563","0.0005","90","","90","","120","","1095.14","0.08","133.2","","133.2","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C25 H30 N Ta -","- C27 H30 N3 Ta3 -","- C54 H60 N6 Ta6 -","2","0.333333","","Anderson, Laura L.; Schmidt, Joseph A. R.; Arnold, John; Bergman, Robert G.","Neutral and Cationic Alkyl Tantalum Imido Complexes: Synthesis and Migratory Insertion Reactions.","Organometallics","2006","25","14","3394","3406","10.1021/om060081t","","","0.7107","MoKα","","0.0258","0.0239","","0.0315","0.0307","","","","","","","1.253","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075167","10.6093","0.0009","11.4181","0.0009","20.0274","0.0016","84.344","0.002","85.426","0.002","76.998","0.002","2348.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H32 B10 N O P -","- C17 H32 B10 N O P -","- C68 H128 B40 N4 O4 P4 -","4","2","","Wang, Hong; Chan, Hoi-Shan; Xie, Zuowei","Pentavalent vs Trivalent Phosphorus-Bridged Ligands. Synthesis and Structural Characterization of Unexpected Group 4 Metal Complexes Incorporating an Indenylide Unit, [σ:σ-iPr2NP(O)(C9H6)(C2B10H10)]M(NR2)2","Organometallics","2006","25","10","2569","","10.1021/om060082l","","","0.71073","MoKα","","0.1906","0.0926","","","0.2368","0.2866","","","","","","0.955","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075168","15.5538","0.0006","15.3753","0.0006","28.002","0.0011","90","","90","","90","","6696.5","0.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H49 B10 N4 O P Ti -","- C23 H49 B10 N4 O P Ti -","- C184 H392 B80 N32 O8 P8 Ti8 -","8","1","","Wang, Hong; Chan, Hoi-Shan; Xie, Zuowei","Pentavalent vs Trivalent Phosphorus-Bridged Ligands. Synthesis and Structural Characterization of Unexpected Group 4 Metal Complexes Incorporating an Indenylide Unit, [σ:σ-iPr2NP(O)(C9H6)(C2B10H10)]M(NR2)2","Organometallics","2006","25","10","2569","","10.1021/om060082l","","","0.71073","MoKα","","0.0929","0.0551","","","0.1532","0.1834","","","","","","1.062","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075169","15.7404","0.0008","15.3928","0.0007","27.9697","0.0013","90","","90","","90","","6776.7","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H49 B10 N4 O P Zr -","- C23 H49 B10 N4 O P Zr -","- C184 H392 B80 N32 O8 P8 Zr8 -","8","1","","Wang, Hong; Chan, Hoi-Shan; Xie, Zuowei","Pentavalent vs Trivalent Phosphorus-Bridged Ligands. Synthesis and Structural Characterization of Unexpected Group 4 Metal Complexes Incorporating an Indenylide Unit, [σ:σ-iPr2NP(O)(C9H6)(C2B10H10)]M(NR2)2","Organometallics","2006","25","10","2569","","10.1021/om060082l","","","0.71073","MoKα","","0.1525","0.0909","","","0.2156","0.2785","","","","","","1.096","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075170","11.275","0.002","21.105","0.004","18.833","0.004","90","","93.21","0.03","90","","4474.4","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 B10 Hf N3 O2 P -","- C36 H66 B10 Hf N3 O2 P -","- C144 H264 B40 Hf4 N12 O8 P4 -","4","1","","Wang, Hong; Chan, Hoi-Shan; Xie, Zuowei","Pentavalent vs Trivalent Phosphorus-Bridged Ligands. Synthesis and Structural Characterization of Unexpected Group 4 Metal Complexes Incorporating an Indenylide Unit, [σ:σ-iPr2NP(O)(C9H6)(C2B10H10)]M(NR2)2","Organometallics","2006","25","10","2569","","10.1021/om060082l","","","0.71073","MoKα","","0.1429","0.0497","","","0.1164","0.1451","","","","","","0.942","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075171","17.362","0.001","17.266","0.001","25.304","0.0015","90","","91.72","0.004","90","","7582","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H112 Na2 O18 S8 U -","- C64 H112 Na2 O18 S8 U -","- C256 H448 Na8 O72 S32 U4 -","4","0.5","","Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Fourmigué, Marc; Boucekkine, Abdou; Ephritikhine, Michel","Investigation of the Dithiolene Ligand Conformation in Analogous U(IV)/U(V) Complexes: X-ray Diffraction and Density Functional Theory Analysis of the U···(CC) Interaction","Organometallics","2006","25","11","2782","","10.1021/om060083d","","","0.71073","MoKα","","0.0688","0.0473","","","0.1043","0.1156","","","","","","0.959","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075172","10.8165","0.0005","17.403","0.0006","13.4365","0.0008","90","","90.181","0.003","90","","2529.3","0.2","120","1","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 Cl3 N2 Ru -","- C25 H31 Cl3 N2 Ru -","- C100 H124 Cl12 N8 Ru4 -","4","1","","Cariou, Renan; Fischmeister, Cédric; Toupet, Loïc; Dixneuf, Pierre H.","A Bidentate NHC−Alkenyl Ruthenium(II) Complex via Vinyl C−H Bond Activation","Organometallics","2006","25","9","2126","","10.1021/om060087i","","","0.71069","MoKα","","0.0754","0.0592","","","0.1552","0.1708","","","","","","1.083","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075173","25.974","0.004","16.195","0.003","18.151","0.003","90","","115.82","0.03","90","","6873","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 Ge N2 O Se -","- C36 H50 Ge N2 O Se -","- C288 H400 Ge8 N16 O8 Se8 -","8","1","","Pineda, Leslie W.; Jancik, Vojtech; Oswald, Rainer B.; Roesky, Herbert W.","Preparation of LGe(Se)OH: A Germanium Analogue of a Selenocarboxylic Acid (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2006","25","9","2384","","10.1021/om060088a","","","1.54178","CuKα","","0.0238","0.0225","","","0.0608","0.062","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075174","16.004","0.001","9.874","0.001","20.379","0.001","90","","96.42","0.01","90","","3200.2","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Fe Ge N2 O5 -","- C33 H42 Fe Ge N2 O5 -","- C132 H168 Fe4 Ge4 N8 O20 -","4","1","","Pineda, Leslie W.; Jancik, Vojtech; Colunga-Valladares, Juan F.; Roesky, Herbert W.; Hofmeister, Anja; Magull, Jörg","Lewis Base Character of Hydroxygermylenes for the Preparation of Heterobimetallic LGe(OH)M Systems (M = Fe, Mn, L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2006","25","9","2381","","10.1021/om0600893","","","0.71073","MoKα","","0.0501","0.032","","","0.0614","0.0643","","","","","","0.999","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075175","10.705","0.001","20.487","0.001","15.16","0.001","90","","98.02","0.01","90","","3292.3","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 Ge Mn N2 O3 -","- C36 H47 Ge Mn N2 O3 -","- C144 H188 Ge4 Mn4 N8 O12 -","4","1","","Pineda, Leslie W.; Jancik, Vojtech; Colunga-Valladares, Juan F.; Roesky, Herbert W.; Hofmeister, Anja; Magull, Jörg","Lewis Base Character of Hydroxygermylenes for the Preparation of Heterobimetallic LGe(OH)M Systems (M = Fe, Mn, L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2006","25","9","2381","","10.1021/om0600893","","","0.71073","MoKα","","0.061","0.0304","","","0.0587","0.0632","","","","","","0.806","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075176","10.386","0.002","13.784","0.003","10.202","0.002","90","","100.111","0.005","90","","1437.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F N2 Pt -","- C17 H15 F N2 Pt -","- C68 H60 F4 N8 Pt4 -","4","1","","Karshtedt, Dmitry; McBee, Jennifer L.; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Arene Activations by Platinum Complexes Containing Bidentate Monoanionic Nitrogen-Based Ligands","Organometallics","2006","25","7","1801","","10.1021/om0600902","","","0.775","synchrotron","","0.0357","0.0301","","","0.0743","0.0765","","","","","","1.107","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075177","10.295","0.002","26.794","0.006","12.618","0.003","90","","93.41","0.003","90","","3474.4","1.3","133.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 Pt -","- C21 H17 N3 Pt -","- C168 H136 N24 Pt8 -","8","2","","Karshtedt, Dmitry; McBee, Jennifer L.; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Arene Activations by Platinum Complexes Containing Bidentate Monoanionic Nitrogen-Based Ligands","Organometallics","2006","25","7","1801","","10.1021/om0600902","","","0.7107","MoKα","","0.0624","0.0383","","0.0474","","0.0422","","","","","","1.368","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075178","20.614","0.003","15.956","0.002","9.241","0.001","90","","101.447","0.001","90","","2979.1","0.7","138.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H14 Cl3 N2 Pt -","- C15.5 H13 Cl2 N2 Pt -","- C124 H104 Cl16 N16 Pt8 -","8","1","","Karshtedt, Dmitry; McBee, Jennifer L.; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Arene Activations by Platinum Complexes Containing Bidentate Monoanionic Nitrogen-Based Ligands","Organometallics","2006","25","7","1801","","10.1021/om0600902","","","0.7107","MoKα","","","0.0316","","","","0.0371","","","","","","1.228","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075179","9.5564","0.0004","10.2328","0.0004","18.3284","0.0007","99.718","0.003","103.196","0.003","90.296","0.003","1718.16","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H39 Cl2 N3 Ru -","- C37 H39 Cl2 N3 Ru -","- C74 H78 Cl4 N6 Ru2 -","2","1","","Barbasiewicz, Michał; Szadkowska, Anna; Bujok, Robert; Grela, Karol","Structure and Activity Peculiarities of Ruthenium Quinoline and Quinoxaline Complexes: Novel Metathesis Catalysts","Organometallics","2006","25","15","3599","","10.1021/om060091u","","","0.71073","MoKα","","0.0631","0.0434","","","0.1076","0.129","","","","","","1.094","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075180","28.1947","0.0002","17.6289","0.0006","16.2675","0.0009","90","","123.864","0.002","90","","6714","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H33 Cl2 N3 Ru -","- C31 H33 Cl2 N3 Ru -","- C248 H264 Cl16 N24 Ru8 -","8","1","","Barbasiewicz, Michał; Szadkowska, Anna; Bujok, Robert; Grela, Karol","Structure and Activity Peculiarities of Ruthenium Quinoline and Quinoxaline Complexes: Novel Metathesis Catalysts","Organometallics","2006","25","15","3599","","10.1021/om060091u","","","0.71073","MoKα","","0.0496","0.0364","","","0.0908","0.0942","","","","","","1","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075181","13.1935","0.0002","21.1046","0.0003","15.6878","0.0003","90","","90.9546","0.0008","90","","4367.56","0.12","150","","150","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","[Ti(tBu)(Me3[9]aneN3)Cl(py)][B(ArF)4]","","- C42 H35 B Cl F20 N5 Ti -","- C42 H35 B Cl F20 N5 Ti -","- C168 H140 B4 Cl4 F80 N20 Ti4 -","4","1","","Bolton, Paul D.; Clot, Eric; Adams, Nico; Dubberley, Stuart R.; Cowley, Andrew R.; Mountford, Philip","Experimental and DFT Studies of Cationic Imido Titanium Alkyls: Agostic Interactions and C−H Bond and Solvent Activation Reactions of Isolobal Analogues of Group 4 Metallocenium Cations","Organometallics","2006","25","11","2806","","10.1021/om060096r","","","0.71073","MoKα","","","0.058","","","","0.068","","","","","","1.0386","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075182","13.8835","0.0002","18.8229","0.0003","24.528","0.0005","90","","90","","90","","6409.85","0.19","150","","150","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","[PhNMe2(CH2Cl)][B(ArF)4]","","- C33 H13 B Cl F20 N -","- C33 H13 B Cl F20 N -","- C264 H104 B8 Cl8 F160 N8 -","8","1","","Bolton, Paul D.; Clot, Eric; Adams, Nico; Dubberley, Stuart R.; Cowley, Andrew R.; Mountford, Philip","Experimental and DFT Studies of Cationic Imido Titanium Alkyls: Agostic Interactions and C−H Bond and Solvent Activation Reactions of Isolobal Analogues of Group 4 Metallocenium Cations","Organometallics","2006","25","11","2806","","10.1021/om060096r","","","0.71073","MoKα","","","0.0372","","","","0.0396","","","","","","1.0698","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4075183","10.6567","0.0001","11.3869","0.0001","15.1128","0.0001","90","","90","","90","","1833.89","0.03","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 Cl N2 Rh -","- C19 H30 Cl N2 Rh -","- C76 H120 Cl4 N8 Rh4 -","4","1","","Herrmann, Wolfgang A.; Baskakov, Denys; Herdtweck, Eberhardt; Hoffmann, Stephan D.; Bunlaksananusorn, Tanasri; Rampf, Florian; Rodefeld, Lars","Chiral N-Heterocyclic Carbene Ligands Derived from 2,2‘-Bipiperidine and Partially Reduced Biisoquinoline: Rhodium and Iridium Complexes in Asymmetric Catalysis†","Organometallics","2006","25","10","2449","","10.1021/om060098b","","","0.71073","MoKα","","0.0161","0.0157","","","0.0381","0.0383","","","","","","1.082","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075184","9.3294","0.0001","10.0515","0.0002","12.3944","0.0002","90","","110.103","0.0007","90","","1091.47","0.03","123","1","123","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H37 N2 O P S -","- C20 H37 N2 O P S -","- C40 H74 N4 O2 P2 S2 -","2","1","","Herrmann, Wolfgang A.; Baskakov, Denys; Herdtweck, Eberhardt; Hoffmann, Stephan D.; Bunlaksananusorn, Tanasri; Rampf, Florian; Rodefeld, Lars","Chiral N-Heterocyclic Carbene Ligands Derived from 2,2‘-Bipiperidine and Partially Reduced Biisoquinoline: Rhodium and Iridium Complexes in Asymmetric Catalysis†","Organometallics","2006","25","10","2449","","10.1021/om060098b","","","0.71073","MoKα","","0.0394","0.0375","","","0.0978","0.0991","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075185","7.8469","0.0001","14.3361","0.0001","19.9183","0.0001","90","","90","","90","","2240.69","0.03","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl Ir N2 -","- C27 H30 Cl Ir N2 -","- C108 H120 Cl4 Ir4 N8 -","4","1","","Herrmann, Wolfgang A.; Baskakov, Denys; Herdtweck, Eberhardt; Hoffmann, Stephan D.; Bunlaksananusorn, Tanasri; Rampf, Florian; Rodefeld, Lars","Chiral N-Heterocyclic Carbene Ligands Derived from 2,2‘-Bipiperidine and Partially Reduced Biisoquinoline: Rhodium and Iridium Complexes in Asymmetric Catalysis†","Organometallics","2006","25","10","2449","","10.1021/om060098b","","","0.71073","MoKα","","0.0326","0.0319","","","0.0646","0.0652","","","","","","1.204","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075186","10.086","0.003","10.642","0.003","11.511","0.003","74.631","0.009","87.934","0.011","76.153","0.009","1156.2","0.6","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 O2 Si W -","- C24 H28 O2 Si W -","- C48 H56 O4 Si2 W2 -","2","1","","Sakaba, Hiroyuki; Hirata, Takeshi; Kabuto, Chizuko; Kabuto, Kuninobu","Synthesis, Structure, and Dynamic Behavior of Tungsten Dihydride Silyl Complexes Cp*(CO)2W(H)2(SiHPhR) (R = Ph, H, Cl)","Organometallics","2006","25","21","5145","","10.1021/om060101r","","","0.7107","MoKα","","","0.0207","","","","0.058","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075187","8.5362","0.0018","15.006","0.003","14.409","0.003","90","","91.597","0.004","90","","1845","0.7","173.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O2 Si W -","- C18 H24 O2 Si W -","- C72 H96 O8 Si4 W4 -","4","1","","Sakaba, Hiroyuki; Hirata, Takeshi; Kabuto, Chizuko; Kabuto, Kuninobu","Synthesis, Structure, and Dynamic Behavior of Tungsten Dihydride Silyl Complexes Cp*(CO)2W(H)2(SiHPhR) (R = Ph, H, Cl)","Organometallics","2006","25","21","5145","","10.1021/om060101r","","","0.7107","MoKα","","","0.0244","","","","0.067","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075188","25.3036","0.0011","10.6197","0.0005","16.9923","0.0007","90","","114.6","0.001","90","","4151.7","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 Mo2 O4 P2 Pt2 -","- C38 H64 Mo2 O4 P2 Pt2 -","- C152 H256 Mo8 O16 P8 Pt8 -","4","0.5","","Adams, Richard D.; Hollandsworth, Carl B.; Smith, Jack L.","Unsaturated Cyclopentadienyl-Molybdenum and Tungsten Carbonyl Cluster Complexes Containing Pd- and Pt(PBut3) Groups","Organometallics","2006","25","10","2673","","10.1021/om060107g","","","0.71073","MoKα","","0.0237","0.0198","","","0.0482","0.0497","","","","","","1.065","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075189","24.2769","0.0011","10.9943","0.0005","17.3532","0.0008","90","","116.902","0.001","90","","4130.5","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 Mo2 O4 P2 Pd2 -","- C38 H64 Mo2 O4 P2 Pd2 -","- C152 H256 Mo8 O16 P8 Pd8 -","4","0.5","","Adams, Richard D.; Hollandsworth, Carl B.; Smith, Jack L.","Unsaturated Cyclopentadienyl-Molybdenum and Tungsten Carbonyl Cluster Complexes Containing Pd- and Pt(PBut3) Groups","Organometallics","2006","25","10","2673","","10.1021/om060107g","","","0.71073","MoKα","","0.0267","0.0234","","","0.0601","0.0627","","","","","","1.07","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075190","24.0266","0.0012","11.1043","0.0006","17.6952","0.0009","90","","118.51","0.001","90","","4148.5","0.4","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 O4 P2 Pt2 W2 -","- C38 H64 O4 P2 Pt2 W2 -","- C152 H256 O16 P8 Pt8 W8 -","4","0.5","","Adams, Richard D.; Hollandsworth, Carl B.; Smith, Jack L.","Unsaturated Cyclopentadienyl-Molybdenum and Tungsten Carbonyl Cluster Complexes Containing Pd- and Pt(PBut3) Groups","Organometallics","2006","25","10","2673","","10.1021/om060107g","","","0.71073","MoKα","","0.0533","0.049","","","0.1274","0.1325","","","","","","1.036","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075191","23.96","0.005","11.018","0.003","17.221","0.004","90","","115.926","0.004","90","","4088.7","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 O4 P2 Pd2 W2 -","- C38 H64 O4 P2 Pd2 W2 -","- C152 H256 O16 P8 Pd8 W8 -","4","0.5","","Adams, Richard D.; Hollandsworth, Carl B.; Smith, Jack L.","Unsaturated Cyclopentadienyl-Molybdenum and Tungsten Carbonyl Cluster Complexes Containing Pd- and Pt(PBut3) Groups","Organometallics","2006","25","10","2673","","10.1021/om060107g","","","0.71073","MoKα","","0.0254","0.0224","","","0.0547","0.0566","","","","","","1.04","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075192","13.181","0.004","17.03","0.005","24.82","0.008","90","","90","","90","","5571","3","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H29 Cl2 Cr N P2 -","- C28 H29 Cl2 Cr N P2 -","- C224 H232 Cl16 Cr8 N8 P16 -","8","1","","McGuinness, David S.; Brown, David B.; Tooze, Robert P.; Hess, Fiona M.; Dixon, John T.; Slawin, Alexandra M. Z.","Ethylene Trimerization with Cr−PNP and Cr−SNS Complexes: Effect of Ligand Structure, Metal Oxidation State, and Role of Activator on Catalysis","Organometallics","2006","25","15","3605","","10.1021/om0601091","","","0.71073","MoKα","","0.1185","0.06","","","0.1128","0.1366","","","","","","1.031","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075193","8.291","0.002","9.907","0.003","11.42","0.003","88.901","0.005","70.838","0.005","68.979","0.005","821.9","0.4","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H52 Cl2 Cr2 N2 S4 -","- C24 H52 Cl2 Cr2 N2 S4 -","- C24 H52 Cl2 Cr2 N2 S4 -","1","0.5","","McGuinness, David S.; Brown, David B.; Tooze, Robert P.; Hess, Fiona M.; Dixon, John T.; Slawin, Alexandra M. Z.","Ethylene Trimerization with Cr−PNP and Cr−SNS Complexes: Effect of Ligand Structure, Metal Oxidation State, and Role of Activator on Catalysis","Organometallics","2006","25","15","3605","","10.1021/om0601091","","","0.71073","MoKα","","0.067","0.0395","","","0.0826","0.0902","","","","","","0.936","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075194","36.954","0.004","10.2303","0.0012","19.885","0.002","90","","117.807","0.002","90","","6649.4","1.3","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H32 Cl4 Cr Li O4 -","- C16 H32 Cl4 Cr Li O4 -","- C192 H384 Cl48 Cr12 Li12 O48 -","12","1.5","","McGuinness, David S.; Brown, David B.; Tooze, Robert P.; Hess, Fiona M.; Dixon, John T.; Slawin, Alexandra M. Z.","Ethylene Trimerization with Cr−PNP and Cr−SNS Complexes: Effect of Ligand Structure, Metal Oxidation State, and Role of Activator on Catalysis","Organometallics","2006","25","15","3605","","10.1021/om0601091","","","0.71073","MoKα","","0.0856","0.0441","","","0.0917","0.1089","","","","","","1.024","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075195","11.749","0.002","20.215","0.004","9.792","0.002","90","","90","","90","","2325.7","0.8","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H24 Cl6 Nb2 S3 -","- C12 H24 Cl6 Nb2 S3 -","- C48 H96 Cl24 Nb8 S12 -","4","0.5","","Kakeya, Masaki; Fujihara, Takashi; Kasaya, Takashi; Nagasawa, Akira","Dinuclear Niobium(III) Complexes [{NbCl2(L)}2(μ-Cl)2(μ-L)] (L = tetrahydrothiophene, dimethyl sulfide): Preparation, Molecular Structures, and the Catalytic Activity for the Regioselective Cyclotrimerization of Alkynes","Organometallics","2006","25","17","4131","","10.1021/om0601100","","","0.71073","MoKα","","0.0626","0.0456","","","0.0906","0.0964","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075196","16.9094","0.0004","9.8757","0.0002","21.4777","0.0004","90","","110.249","0.001","90","","3364.95","0.12","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H35 Cl O W -","- C42.5 H35 Cl O W -","- C170 H140 Cl4 O4 W4 -","4","1","","Choi, Hojae; Chen, Weichun; Aistars, Arnis; Lough, Alan J.; Sheridan, John B.","Bis(alkyne)cycloheptadienyl and Bis(alkyne)σ,η3-cycloheptenediyl Complexes of Tungsten","Organometallics","2006","25","10","2574","","10.1021/om060111s","","","0.71073","MoKα","","0.0713","0.0385","","","0.0667","0.0748","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075197","10.051","0.003","15.141","0.004","20.97","0.006","109.043","0.004","100.239","0.004","98.645","0.004","2893.2","1.4","215","2","215","2","","","","","","","","3","P -1","-P 1","2","","NOTE: This is compound 1","","- C30 H42 Ge2 -","- C30 H42 Ge2 -","- C120 H168 Ge8 -","4","2","","Subashi, Esla; Rheingold, Arnold L.; Weinert, Charles S.","Preparation of Oligogermanes via the Hydrogermolysis Reaction","Organometallics","2006","25","13","3211","","10.1021/om060115x","","","0.71073","MoKα","","0.0832","0.0485","","","0.1199","0.14","","","","","","1.004","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075198","15.5325","0.0013","15.5325","0.0013","16.275","0.003","90","","90","","120","","3400.4","0.7","213","2","213","2","","","","","","","","3","R -3 :H","-R 3","148","","NOTE: This is compund 2","","- C24 H27 Ge2 -","- C24 H27 Ge2 -","- C144 H162 Ge12 -","6","0.333333","","Subashi, Esla; Rheingold, Arnold L.; Weinert, Charles S.","Preparation of Oligogermanes via the Hydrogermolysis Reaction","Organometallics","2006","25","13","3211","","10.1021/om060115x","","","0.71073","MoKα","","0.0377","0.0333","","","0.0932","0.0955","","","","","","1.227","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075199","11.8171","0.0002","13.1286","0.0002","14.4153","0.0002","72.813","0.001","70.439","0.001","75.367","0.001","1983.68","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H56 Cl Li N2 Si2 Yb -","- C38 H56 Cl Li N2 Si2 Yb -","- C76 H112 Cl2 Li2 N4 Si4 Yb2 -","2","1","","Wang, Shaowu; Tang, Xinliang; Vega, Andres; Saillard, Jean-Yves; Sheng, Enhong; Yang, Gaosheng; Zhou, Shuangliu; Huang, Zixiang","Experimental and Theoretical Evidence for the First Example of an Organolanthanide(II) Compound Having an Indenyl Ligand Bonded to the Metal through the Benzo Ring in η4Hapticity","Organometallics","2006","25","10","2399","","10.1021/om0601192","","","0.71073","MoKα","","0.0514","0.0426","","","0.0955","0.1034","","","","","","1.103","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075200","22.1371","0.0005","13.9116","0.0001","16.2626","0.0004","90","","90","","90","","5008.27","0.17","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H30 K2 O -","- C30 H30 K2 O -","- C240 H240 K16 O8 -","8","0.5","","Schumann, Herbert; Freckmann, Dominique M. M.; Dechert, Sebastian","Organometallic Compounds of the Lanthanides. 179.1Synthesis and Structural Characterization of a Mixed Alkyl (Benzhydryl, Trimethylsilylmethyl) Lutetium Complex","Organometallics","2006","25","10","2696","","10.1021/om0601201","","","0.71073","MoKα","","0.1104","0.0635","","","0.0989","0.1122","","","","","","1.083","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075201","16.7997","0.0003","10.773","0.0002","19.5836","0.0001","90","","112.997","0.001","90","","3262.62","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H49 Lu O2 Si2 -","- C29 H49 Lu O2 Si2 -","- C116 H196 Lu4 O8 Si8 -","4","1","","Schumann, Herbert; Freckmann, Dominique M. M.; Dechert, Sebastian","Organometallic Compounds of the Lanthanides. 179.1Synthesis and Structural Characterization of a Mixed Alkyl (Benzhydryl, Trimethylsilylmethyl) Lutetium Complex","Organometallics","2006","25","10","2696","","10.1021/om0601201","","","0.71073","MoKα","","0.0585","0.0365","","","0.0709","0.0786","","","","","","1.003","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075202","10.27233","0.0001","17.92498","0.00009","29.46355","0.00019","90","","90","","90","","5425.16","0.07","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H27 Cl F24 O P2 Pd -","- C47 H27 Cl F24 O P2 Pd -","- C188 H108 Cl4 F96 O4 P8 Pd4 -","4","1","","Guiu, Ester; Caporali, Maria; Muñoz, Bianca; Müller, Christian; Lutz, Martin; Spek, Anthony L.; Claver, Carmen; van Leeuwen, Piet W. N. M.","Electronic Effect of Diphosphines on the Regioselectivity of the Palladium-Catalyzed Hydroesterification of Styrene","Organometallics","2006","25","13","3102","","10.1021/om060121t","","","0.71073","MoKα","","0.0297","0.0253","","","0.0616","0.0635","","","","","","1.067","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075203","11.5563","0.0006","12.7164","0.0007","15.1804","0.0009","109.367","0.003","90.463","0.003","97.224","0.003","2084.9","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 B7 Co2 N O5 P2 -","- C42 H38 B7 Co2 N O5 P2 -","- C84 H76 B14 Co4 N2 O10 P4 -","2","1","","Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers","Organometallics","2006","25","10","2590","","10.1021/om060123d","","","0.71073","MoKα","","0.0517","0.0334","","","0.085","0.091","","","","","","1.054","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075204","11.4458","0.0003","13.9304","0.0005","14.3501","0.0005","73.497","0.002","89.679","0.002","79.609","0.002","2155.28","0.12","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H40 B9 Co2 N O5 P2 -","- C42 H40 B9 Co2 N O5 P2 -","- C84 H80 B18 Co4 N2 O10 P4 -","2","1","","Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers","Organometallics","2006","25","10","2590","","10.1021/om060123d","","","0.71073","MoKα","","0.0421","0.0315","","","0.0857","0.0897","","","","","","1.062","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075205","16.335","0.008","10.146","0.004","28.834","0.013","90","","105.856","0.01","90","","4597","4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 B8 Co3 N O8 P2 -","- C45 H38 B8 Co3 N O8 P2 -","- C180 H152 B32 Co12 N4 O32 P8 -","4","1","","Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers","Organometallics","2006","25","10","2590","","10.1021/om060123d","","","0.71073","MoKα","","0.0776","0.0436","","","0.0898","0.1044","","","","","","1.012","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075206","13.883","0.0008","14.5367","0.0007","17.2427","0.0008","90","","90","","90","","3479.8","0.3","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H15 B7 Co2 O6 -","- C10 H15 B7 Co2 O6 -","- C80 H120 B56 Co16 O48 -","8","1","","Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers","Organometallics","2006","25","10","2590","","10.1021/om060123d","","","0.71073","MoKα","","0.1133","0.0784","","","0.2005","0.225","","","","","","1.06","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075207","7.705","0.0002","9.228","0.0002","13.9476","0.0003","94.902","0.001","90.281","0.001","100.842","0.001","970.21","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C10.5 H18 B9 Cl Co2 O6 -","- C10.5 H18 B9 Cl Co2 O6 -","- C21 H36 B18 Cl2 Co4 O12 -","2","1","","Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers","Organometallics","2006","25","10","2590","","10.1021/om060123d","","","0.71073","MoKα","","0.0304","0.0256","","","0.06","0.0628","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075208","13.317","0.005","17.027","0.006","21.905","0.008","90","","91.534","0.01","90","","4965","3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 B8 Co3 Cu O7 P2 -","- C48 H38 B8 Co3 Cu O7 P2 -","- C192 H152 B32 Co12 Cu4 O28 P8 -","4","1","","Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers","Organometallics","2006","25","10","2590","","10.1021/om060123d","","","0.71073","MoKα","","0.0686","0.0411","","","0.0896","0.1019","","","","","","1.023","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075209","24.04","0.008","7.67","0.002","11.429","0.004","90","","118.387","0.006","90","","1854","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F3 N2 O5 Pd S -","- C17 H11 F3 N2 O5 Pd S -","- C68 H44 F12 N8 O20 Pd4 S4 -","4","1","","Yoon, Myeong Sik; Ryu, Dowook; Kim, Jeongryul; Ahn, Kyo Han","Palladium Pincer Complexes with Reduced Bond Angle Strain: Efficient Catalysts for the Heck Reaction","Organometallics","2006","25","10","2409","","10.1021/om0601246","","","0.71073","MoKα","","0.0678","0.0476","","","0.1385","0.1499","","","","","","0.965","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075210","10.2351","0.0014","10.9324","0.0015","10.9999","0.0015","114.942","0.002","100.506","0.002","103.881","0.002","1025.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H29 B10 N -","- C15 H29 B10 N -","- C30 H58 B20 N2 -","2","1","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.0958","0.0665","","","0.1713","0.1905","","","","","","0.982","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075211","7.7747","0.0012","18.751","0.003","11.8701","0.0018","90","","96.696","0.003","90","","1718.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 B10 N -","- C11 H21 B10 N -","- C44 H84 B40 N4 -","4","1","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.1244","0.0579","","","0.1238","0.142","","","","","","0.826","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075212","7.0813","0.0012","10.5025","0.0017","27.287","0.005","90","","96.513","0.003","90","","2016.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 B9 N -","- C15 H28.7 B9 N -","- C60 H114.8 B36 N4 -","4","1","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.1638","0.0911","","","0.2188","0.2606","","","","","","0.983","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075213","16.1284","0.0016","13.2047","0.0013","12.6393","0.0013","90","","91.333","0.002","90","","2691.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H40 B9 N3 Ti -","- C19 H40 B9 N3 Ti -","- C76 H160 B36 N12 Ti4 -","4","1","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.0791","0.0527","","","0.1198","0.1419","","","","","","0.982","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075214","10.2187","0.0015","10.6785","0.0016","12.6567","0.0019","106.781","0.003","91.443","0.003","103.302","0.003","1280.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18.5 H36 B9 N3 Ti -","- C18.5 H35.5 B9 N3 Ti -","- C37 H71 B18 N6 Ti2 -","2","1","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.1342","0.1166","","","0.3277","0.3441","","","","","","1.436","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075215","10.004","0.002","17.188","0.003","18.834","0.004","90","","98.64","0.03","90","","3201.7","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H52 B9 N4 O Zr -","- C23 H52 B9 N4 O Zr -","- C92 H208 B36 N16 O4 Zr4 -","4","1","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.0929","0.0519","","","0.1364","0.1576","","","","","","1.035","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075216","10.165","0.002","17.424","0.004","20.25","0.004","90","","111","0.03","90","","3348.4","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H52 B9 Hf N4 O -","- C23 H52 B9 Hf N4 O -","- C92 H208 B36 Hf4 N16 O4 -","4","1","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.0567","0.0547","","","0.1487","0.1521","","","","","","1.137","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075217","29.625","0.003","10.6706","0.0009","18.4259","0.0017","90","","125.603","0.002","90","","4735.9","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H39 B9 N4 Ti -","- C56 H140 B36 N16 Ti4 -","- C112 H280 B72 N32 Ti8 -","2","0.25","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.0943","0.0694","","","0.2005","0.2162","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075218","20.3264","0.0008","9.6981","0.0004","21.9595","0.0008","90","","106.996","0.002","90","","4139.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H62 B Cu N2 O2 -","- C43.5 H62 B Cu N2 O2 -","- C174 H248 B4 Cu4 N8 O8 -","4","1","","Laitar, David S.; Tsui, Emily Y.; Sadighi, Joseph P.","Copper(I) β-Boroalkyls from Alkene Insertion: Isolation and Rearrangement","Organometallics","2006","25","10","2405","","10.1021/om060131u","","","0.71073","MoKα","","0.0929","0.0657","","","0.1349","0.1449","","","","","","1.133","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075219","12.5994","0.0008","19.7548","0.0015","17.9349","0.0014","90","","110.025","0.002","90","","4194.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H60 B Cu N2 O2 -","- C44.5 H60 B Cu N2 O2 -","- C178 H240 B4 Cu4 N8 O8 -","4","1","","Laitar, David S.; Tsui, Emily Y.; Sadighi, Joseph P.","Copper(I) β-Boroalkyls from Alkene Insertion: Isolation and Rearrangement","Organometallics","2006","25","10","2405","","10.1021/om060131u","","","0.71073","MoKα","","0.0789","0.0671","","","0.1577","0.1671","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075220","14.167","0.004","16.592","0.003","17.193","0.004","61.488","0.004","68.668","0.004","83.82","0.006","3297.1","1.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","16","Bis[N-(triphenylphosphinimino)phenylacetimidato-N',O]methylsiliconium chloride","","- C58.5 H55.5 Cl11.5 N4 O2.5 P2 Si -","- C58.5 H55.5 Cl11.5 N4 O2.5 P2 Si -","- C117 H111 Cl23 N8 O5 P4 Si2 -","2","1","","Sivaramakrishna, Akella; Kalikhman, Inna; Kertsnus, Evgenia; Korlyukov, Alexander A.; Kost, Daniel","Donor-Stabilized Silyl Cations. 10. Pentacoordinate Siliconium-Ion Salts with a Triphenylphosphinimino-NLigand Group: Two-Bond P−N−Si Coupling as a Measure for Coordination Strength1","Organometallics","2006","25","15","3665","","10.1021/om0601347","","","0.71073","MoKα","","0.1245","0.0637","","","0.1238","0.1369","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075221","12.3421","0.0001","17.5818","0.0002","23.4382","0.0002","90","","94.789","0.001","90","","5068.25","0.08","100","","100","","","","","","","","see paper","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H45 B F9 N P3 Rh -","- C58 H45 B F9 N P3 Rh -","- C232 H180 B4 F36 N4 P12 Rh4 -","4","1","","Finze, Maik; Bernhardt, Eduard; Willner, Helge; Lehmann, Christian W.","(PPh3)3RhCNB(CF3)3and (PPh3)3RhNCB(CF3)3: Isocyano- and Cyanoborate Complexes of Tris(triphenylphosphine)rhodium(I)","Organometallics","2006","25","12","3070","","10.1021/om060135z","","","0.71073","MoKα","","0.0562","0.0368","","","0.1158","0.1342","","","","","","0.825","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075222","14.1585","0.0001","16.9086","0.0002","23.2446","0.0002","90","","94.045","0.001","90","","5550.9","0.09","100","","100","","","","","","","","see paper","8","P 1 21/c 1","-P 2ybc","14","","","","- C59.5 H48 B Cl3 F9 N P3 Rh -","- C59.5 H48 B Cl3.01 F9 N P3 Rh -","- C238 H192 B4 Cl12.04 F36 N4 P12 Rh4 -","4","1","","Finze, Maik; Bernhardt, Eduard; Willner, Helge; Lehmann, Christian W.","(PPh3)3RhCNB(CF3)3and (PPh3)3RhNCB(CF3)3: Isocyano- and Cyanoborate Complexes of Tris(triphenylphosphine)rhodium(I)","Organometallics","2006","25","12","3070","","10.1021/om060135z","","","0.71073","MoKα","","0.1028","0.0596","","","0.1304","0.1498","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075223","8.0135","0.0008","24.027","0.003","14.0296","0.0014","90","","99.09","0.004","90","","2667.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 B N6 Pt -","- C27 H36 B N6 Pt -","- C108 H144 B4 N24 Pt4 -","4","1","","MacDonald, Margaret G.; Kostelansky, Cynthia Norris; White, Peter S.; Templeton, Joseph L.","Ethylene Insertion in Tp‘Pt(Ph)(η2-CH2CH2) and C−H Activation of Ethylbenzene to Form a Platinum(IV)ortho-Metalated Phenethyl Complex","Organometallics","2006","25","19","4560","","10.1021/om060137j","","","0.71073","MoKα","","0.0383","0.0297","","","0.0613","0.0642","","","","","","1.12","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075224","28.0057","0.0006","12.4619","0.0003","15.514","0.0003","90","","94.351","0.001","90","","5398.8","0.2","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H35 B Cl2 N6 Pt -","- C25 H35 B Cl2 N6 Pt -","- C200 H280 B8 Cl16 N48 Pt8 -","8","1","","MacDonald, Margaret G.; Kostelansky, Cynthia Norris; White, Peter S.; Templeton, Joseph L.","Ethylene Insertion in Tp‘Pt(Ph)(η2-CH2CH2) and C−H Activation of Ethylbenzene to Form a Platinum(IV)ortho-Metalated Phenethyl Complex","Organometallics","2006","25","19","4560","","10.1021/om060137j","","","0.71073","MoKα","","0.031","0.0251","","","0.0518","0.0539","","","","","","1.041","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075225","9.1331","0.0002","12.6495","0.0003","24.9106","0.0005","102.218","0.001","95.437","0.001","96.559","0.001","2773.27","0.11","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C21.5 H31 B2 Cl F4 N6 O Pt -","- C21.5 H31 B2 Cl F4 N6 O Pt -","- C86 H124 B8 Cl4 F16 N24 O4 Pt4 -","4","2","","MacDonald, Margaret G.; Kostelansky, Cynthia Norris; White, Peter S.; Templeton, Joseph L.","Ethylene Insertion in Tp‘Pt(Ph)(η2-CH2CH2) and C−H Activation of Ethylbenzene to Form a Platinum(IV)ortho-Metalated Phenethyl Complex","Organometallics","2006","25","19","4560","","10.1021/om060137j","","","0.71073","MolybdenumKα","","0.055","0.037","","0.041","0.038","","","","","1.8","1.8","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075226","9.536","0.0019","13.146","0.003","28.721","0.006","93.68","0.03","92.09","0.03","92.55","0.03","3586.7","1.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 As Cl5 Ir N2 O -","- C36 H34 As Cl5 Ir N2 O -","- C144 H136 As4 Cl20 Ir4 N8 O4 -","4","2","","Escola, Natalia; Llebaría, Analuz; Leitus, Gregory; Doctorovich, Fabio","Formation of CoordinatedC-Nitroso Compounds by Reaction of K[IrCl5NO] with Alkenes","Organometallics","2006","25","16","3799","","10.1021/om060141v","","","0.71073","MoKα","","0.043","0.0356","","","0.0889","0.0926","","","","","","0.999","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075227","13.682","0.003","17.08","0.003","18.966","0.004","90","","106.36","0.03","90","","4252.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H70 Mg N2 Si8 -","- C24 H70 Mg N2 Si8 -","- C96 H280 Mg4 N8 Si32 -","4","1","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","MoKα","","0.1514","0.1014","","","0.2539","0.2904","","","","","","1.005","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075228","9.2398","0.0002","14.8204","0.0004","22.9976","0.0007","90","","95.88","0.001","90","","3132.67","0.14","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H48 Mg O2 Si4 -","- C23 H48 Mg O2 Si4 -","- C92 H192 Mg4 O8 Si16 -","4","1","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","MoKα","","0.1135","0.0571","","","0.1199","0.1351","","","","","","0.978","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075229","10.02","0.002","17.796","0.004","19.966","0.004","90","","90","","90","","3560.3","1.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H58 Mg O2 Si6 -","- C22 H58 Mg O2 Si6 -","- C88 H232 Mg4 O8 Si24 -","4","0.5","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","MoKα","","0.0848","0.0552","","","0.1363","0.1461","","","","","","1.073","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075230","10.069","0.002","18.334","0.004","19.739","0.004","90","","90","","90","","3643.9","1.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H58 Mg O4 Si6 -","- C22 H58 Mg O4 Si6 -","- C88 H232 Mg4 O16 Si24 -","4","0.5","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","MoKα","","0.1114","0.1003","","","0.2166","0.2233","","","","","","1.224","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075231","8.0433","0.0016","24.718","0.005","10.042","0.002","90","","97.01","0.03","90","","1981.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H58 Br2 Mg2 O2 Si6 -","- C22 H58 Br2 Mg2 O2 Si6 -","- C44 H116 Br4 Mg4 O4 Si12 -","2","0.5","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","MoKα","","0.0959","0.0659","","","0.1252","0.1348","","","","","","1.08","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075232","10.592","0.002","11.069","0.002","18.403","0.004","99.82","0.03","97.8","0.03","104.3","0.03","2024.1","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H62 Mg O2 Si6 -","- C32 H62 Mg O2 Si6 -","- C64 H124 Mg2 O4 Si12 -","2","1","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","MoKα","","0.1255","0.0992","","","0.2749","0.2907","","","","","","1.063","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075233","13.009","0.003","15.913","0.003","20.961","0.004","90","","90","","90","","4339.2","1.5","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H64 Mg O2 Si8 -","- C24 H64 Mg O2 Si8 -","- C96 H256 Mg4 O8 Si32 -","4","1","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","mokα","","0.0785","0.0642","","","0.1592","0.171","","","","","","1.026","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075234","12.8912","0.0004","13.3318","0.0004","7.6987","0.0002","90","","102.668","0.002","90","","1290.91","0.07","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(CuCl)~2~(CO)~2~(DABCO)]","catena-poly[dicarbonyldi-!mu-chloro-!mu- (1,4-diazabicyclo[2.2.2]octane)dicopper(I)]","","- C8 H12 Cl2 Cu2 N2 O2 -","- C8 H12 Cl2 Cu2 N2 O2 -","- C32 H48 Cl8 Cu8 N8 O8 -","4","0.5","","Wiles, Austin B.; Pike, Robert D.","Copper(I) Chloride Carbonyl Polymers","Organometallics","2006","25","13","3282","","10.1021/om0601504","","","1.54178","CuKα","","0.0429","0.0357","","","0.0909","0.0946","","","","","","1.074","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075235","13.4585","0.0004","13.4881","0.0004","6.3617","0.0002","90","","100.036","0.002","90","","1137.17","0.06","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(CuCl)~2~(CO)~2~(Piperazine)]","catena-poly[dicarbonyldi-!mu-chloro-!mu- (1,4-diaminocyclohexane)dicopper(I)]","","- C6 H10 Cl2 Cu2 N2 O2 -","- C6 H10 Cl2 Cu2 N2 O2 -","- C24 H40 Cl8 Cu8 N8 O8 -","4","0.5","","Wiles, Austin B.; Pike, Robert D.","Copper(I) Chloride Carbonyl Polymers","Organometallics","2006","25","13","3282","","10.1021/om0601504","","","1.54178","CuKα","","0.0397","0.0338","","","0.089","0.0919","","","","","","1.045","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075236","11.8093","0.0009","8.7799","0.0007","8.2075","0.0011","90","","131.624","0.003","90","","636.13","0.11","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","[(CuCl)~2~(CO)~2~(N,N'-Dimethylpiperazine)]","catena-poly[dicarbonyldi-!mu-chloro-!mu- (1,4-dimethyl-1,4-diaminocyclohexane)dicopper(I)]","","- C8 H14 Cl2 Cu2 N2 O2 -","- C8 H14 Cl2 Cu2 N2 O2 -","- C16 H28 Cl4 Cu4 N4 O4 -","2","0.25","","Wiles, Austin B.; Pike, Robert D.","Copper(I) Chloride Carbonyl Polymers","Organometallics","2006","25","13","3282","","10.1021/om0601504","","","1.54178","CuKα","","0.0355","0.0284","","","0.0673","0.0703","","","","","","1.051","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075237","8.9656","0.0005","9.1636","0.0005","9.7359","0.0005","77.346","0.001","66.42","0.001","83.55","0.001","715.01","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H21 Br N2 O -","- C13 H21 Br N2 O -","- C26 H42 Br2 N4 O2 -","2","1","","Huynh, Han Vinh; Han, Yuan; Ho, Joanne Hui Hui; Tan, Geok Kheng","Palladium(II) Complexes of a Sterically Bulky, Benzannulated N-Heterocyclic Carbene with Unusual Intramolecular C−H···Pd and Ccarbene···Br Interactions and Their Catalytic Activities","Organometallics","2006","25","13","3267","","10.1021/om060151w","","","0.71073","MoKα","","0.0285","0.0258","","","0.0668","0.0682","","","","","","1.06","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075238","8.6931","0.0006","9.2111","0.0006","12.6637","0.0008","102.509","0.001","96.381","0.001","110.548","0.001","907.33","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H44 Br4 N4 Pd2 -","- C33 H44 Br4 N4 Pd2 -","- C33 H44 Br4 N4 Pd2 -","1","0.5","","Huynh, Han Vinh; Han, Yuan; Ho, Joanne Hui Hui; Tan, Geok Kheng","Palladium(II) Complexes of a Sterically Bulky, Benzannulated N-Heterocyclic Carbene with Unusual Intramolecular C−H···Pd and Ccarbene···Br Interactions and Their Catalytic Activities","Organometallics","2006","25","13","3267","","10.1021/om060151w","","","0.71073","MoKα","","0.0446","0.0312","","","0.0682","0.0733","","","","","","1.01","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075239","8.6495","0.0004","9.783","0.0004","12.344","0.0005","103.177","0.001","99.535","0.001","109.912","0.001","921.84","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 Br2 N3 Pd -","- C15 H21 Br2 N3 Pd -","- C30 H42 Br4 N6 Pd2 -","2","1","","Huynh, Han Vinh; Han, Yuan; Ho, Joanne Hui Hui; Tan, Geok Kheng","Palladium(II) Complexes of a Sterically Bulky, Benzannulated N-Heterocyclic Carbene with Unusual Intramolecular C−H···Pd and Ccarbene···Br Interactions and Their Catalytic Activities","Organometallics","2006","25","13","3267","","10.1021/om060151w","","","0.71073","MoKα","","0.0243","0.0215","","","0.0556","0.0566","","","","","","1.059","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075240","15.729","0.0007","8.9604","0.0004","33.5536","0.0016","90","","93.006","0.001","90","","4722.5","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Br3 Cl12 N4 Pd -","- C30 H41 Br3 Cl12 N4 Pd -","- C120 H164 Br12 Cl48 N16 Pd4 -","4","1","","Huynh, Han Vinh; Han, Yuan; Ho, Joanne Hui Hui; Tan, Geok Kheng","Palladium(II) Complexes of a Sterically Bulky, Benzannulated N-Heterocyclic Carbene with Unusual Intramolecular C−H···Pd and Ccarbene···Br Interactions and Their Catalytic Activities","Organometallics","2006","25","13","3267","","10.1021/om060151w","","","0.71073","MoKα","","0.1116","0.0591","","","0.1297","0.1483","","","","","","0.996","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075241","10.5155","0.0005","17.5035","0.0007","16.4655","0.0007","90","","94.722","0.001","90","","3020.3","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 Br2 N2 P Pd -","- C31 H33 Br2 N2 P Pd -","- C124 H132 Br8 N8 P4 Pd4 -","4","1","","Huynh, Han Vinh; Han, Yuan; Ho, Joanne Hui Hui; Tan, Geok Kheng","Palladium(II) Complexes of a Sterically Bulky, Benzannulated N-Heterocyclic Carbene with Unusual Intramolecular C−H···Pd and Ccarbene···Br Interactions and Their Catalytic Activities","Organometallics","2006","25","13","3267","","10.1021/om060151w","","","0.71073","MoKα","","0.0407","0.0283","","","0.0552","0.0565","","","","","","0.845","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075242","10.417","0.006","10.506","0.006","16.286","0.01","86.468","0.012","89.22","0.01","83.204","0.011","1766.4","1.8","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H17 Cl N2 O13 Ru6 -","- C26.5 H17 Cl N2 O13 Ru6 -","- C53 H34 Cl2 N4 O26 Ru12 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0498","0.0418","","","0.131","0.1422","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075243","11.039","0.005","15.971","0.008","18.772","0.009","90","","90","","90","","3310","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H16 N2 O14 Ru6 -","- C27 H16 N2 O14 Ru6 -","- C108 H64 N8 O56 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0358","0.032","","","0.0775","0.0828","","","","","","1.004","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075244","9.809","0.003","15.275","0.004","25.395","0.007","90","","95.136","0.005","90","","3789.7","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cl3 N2 O13 Ru6 -","- C29 H20 Cl3 N2 O13 Ru6 -","- C116 H80 Cl12 N8 O52 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0473","0.032","","","0.0716","0.0795","","","","","","1.019","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075245","10.32","0.003","10.367","0.003","17.432","0.005","98.535","0.006","101.697","0.006","97.669","0.006","1780.1","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O11 Ru6 -","- C34 H28 N2 O11 Ru6 -","- C68 H56 N4 O22 Ru12 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0536","0.0459","","","0.1021","0.1102","","","","","","1.149","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075246","32.288","0.005","9.925","0.005","17.2283","0.0014","90","","99.214","0.013","90","","5450","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H14 O10 Ru6 -","- C25 H14 O10 Ru6 -","- C200 H112 O80 Ru48 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0395","0.0248","","","0.0493","0.0544","","","","","","1.04","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075247","10.377","0.003","30.051","0.008","10.964","0.003","90","","115.848","0.004","90","","3076.9","1.5","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H12 N2 O14 Ru6 -","- C25 H12 N2 O14 Ru6 -","- C100 H48 N8 O56 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0325","0.0251","","","0.0515","0.0551","","","","","","1.078","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075248","21.283","0.007","16.692","0.005","17.63","0.006","90","","90","","90","","6263","4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H18 N2 O11 Ru6 -","- C27 H18 N2 O11 Ru6 -","- C216 H144 N16 O88 Ru48 -","8","2","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0372","0.0309","","","0.064","0.0687","","","","","","1.141","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075249","8.858","0.002","14.857","0.003","23.261","0.005","90","","93.376","0.004","90","","3055.9","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 N2 O12 Ru5 -","- C28 H16 N2 O12 Ru5 -","- C112 H64 N8 O48 Ru20 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0357","0.0319","","","0.0706","0.0726","","","","","","1.138","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075250","17.067","0.001","13.471","0.001","16.321","0.001","90","","115.17","0.001","90","","3396.1","0.4","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 O14 P2 W2 -","- C30 H24 O14 P2 W2 -","- C120 H96 O56 P8 W8 -","4","1","","Tran Huy, Ngoc Hoa; Hao, Shaojie; Ricard, Louis; Mathey, François","Electronic Structure and Evolution of a Terminal Butadienylphosphinidene Complex","Organometallics","2006","25","13","3152","","10.1021/om060156t","","","0.71069","MoKα","","0.0439","0.029","","","0.0647","0.0693","","","","","","1.008","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075251","8.32","0.001","10.293","0.001","14.189","0.001","91.399","0.001","95.902","0.001","112.739","0.001","1112","0.19","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 O5 P W -","- C21 H25 O5 P W -","- C42 H50 O10 P2 W2 -","2","1","","Tran Huy, Ngoc Hoa; Hao, Shaojie; Ricard, Louis; Mathey, François","Electronic Structure and Evolution of a Terminal Butadienylphosphinidene Complex","Organometallics","2006","25","13","3152","","10.1021/om060156t","","","0.71069","MoKα","","0.0261","0.0241","","","0.0618","0.0629","","","","","","1.058","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075252","14.491","0.003","15.479","0.002","17.36","0.003","90","","90.3","0.03","90","","3893.9","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H30 Fe N6 O Sn2 -","- C41 H30 Fe N6 O Sn2 -","- C164 H120 Fe4 N24 O4 Sn8 -","4","1","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71073","MoKα","","0.0379","0.0315","","","0.0686","0.0708","","","","","","0.929","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075253","14.3366","0.001","21.9394","0.0015","29.751","0.002","90","","90","","90","","9357.8","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H42 Fe N6 O Sn2 -","- C47 H42 Fe N6 O Sn2 -","- C376 H336 Fe8 N48 O8 Sn16 -","8","1","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71073","MoKα","","0.0835","0.051","","","0.1235","0.1414","","","","","","0.979","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075254","7.59","0.005","7.59","0.005","9.307","0.005","90","0.005","90","0.005","90","0.005","536.2","0.6","293","2","293","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C19 H14 Fe N6 O Sn -","- C19 Fe N6 O Sn -","- C19 Fe N6 O Sn -","1","0.0625","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71069","MoKα","","0.046","0.0445","","","0.1233","0.1251","","","","","","1.146","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075255","19.886","0.003","19.886","0.003","10.595","0.002","90","","90","","90","","4189.8","1.2","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C91 H84 Fe N8 O Sn4 -","- C91 H84 Fe N8 O Sn4 -","- C182 H168 Fe2 N16 O2 Sn8 -","2","0.25","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71073","MoKα","","0.0978","0.0697","","","0.1528","0.168","","","","","","1.047","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075256","12.6316","0.0008","13.3725","0.0008","22.3824","0.0013","81.483","0.001","78.401","0.001","79.649","0.001","3618.6","0.4","186.5","","186.5","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H68 Cl6 Fe N6 O5 Sn4 -","- C66 H68 Cl6 Fe N6 O5 Sn4 -","- C132 H136 Cl12 Fe2 N12 O10 Sn8 -","2","1","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71073","MoKα","","0.166","0.0976","","","0.1555","0.1833","","","","","","1.098","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075257","12.7533","0.0008","13.4046","0.0008","22.4209","0.0013","81.961","0.001","77.693","0.001","79.673","0.001","3663.5","0.4","186.5","","186.5","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H72 Cl6 Fe N6 O5 Sn4 -","- C68 H70 Cl6 Fe N6 O5 Sn4 -","- C136 H140 Cl12 Fe2 N12 O10 Sn8 -","2","1","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71073","MoKα","","0.0834","0.0597","","","0.1401","0.1541","","","","","","1.09","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075258","11.7663","0.0015","20.368","0.002","11.1494","0.0014","90","","117.044","0.003","90","","2379.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H37 Cu O2 Si2 -","- C19 H37 Cu O2 Si2 -","- C76 H148 Cu4 O8 Si8 -","4","1","","Thompson, Jeffery S.; Bradley, Alexander Z.; Park, Kyung-Ho; Dobbs, Kerwin D.; Marshall, Will","Copper(I) Complexes with Bis(trimethylsilyl)acetylene: Role of Ancillary Ligands in Determining π Back-Bonding Interactions","Organometallics","2006","25","11","2712","","10.1021/om060162p","","","0.71073","MoKα","","0.1865","0.0771","","","0.1379","0.1798","","","","","","1.014","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075259","11.502","0.002","17.021","0.003","6.957","0.0014","96.2","0.03","103","0.03","89.58","0.03","1319.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H43 Cu N2 Si2 -","- C21 H43 Cu N2 Si2 -","- C42 H86 Cu2 N4 Si4 -","2","1","","Thompson, Jeffery S.; Bradley, Alexander Z.; Park, Kyung-Ho; Dobbs, Kerwin D.; Marshall, Will","Copper(I) Complexes with Bis(trimethylsilyl)acetylene: Role of Ancillary Ligands in Determining π Back-Bonding Interactions","Organometallics","2006","25","11","2712","","10.1021/om060162p","","","0.71073","MoKα","","0.0448","0.036","","","0.0878","0.0906","","","","","","0.955","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075260","13.8541","0.0011","12.0079","0.0011","18.647","0.0014","90","","100.035","0.004","90","","3054.6","0.4","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 F3 N4 O4 Pd S -","- C32 H27 F3 N4 O4 Pd S -","- C128 H108 F12 N16 O16 Pd4 S4 -","4","1","","Vicente, José; Abad, José Antonio; López-Sáez, María-José; Jones, Peter G.","Reactivity of Ortho-Palladated Phenol Derivatives with Unsaturated Molecules. Carbodiimide Insertion into a C−Pd Bond and/or O−H Phenol Addition to a Carbodiimide","Organometallics","2006","25","8","1851","","10.1021/om0601652","","","0.71073","MoKα","","0.0611","0.0335","","","0.0758","0.0838","","","","","","0.943","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075261","25.677","0.002","13.7723","0.0011","20.4054","0.0016","90","","122.774","0.004","90","","6067.3","0.9","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H35 F3 N4 O4 Pd S -","- C30 H35 F3 N4 O4 Pd S -","- C240 H280 F24 N32 O32 Pd8 S8 -","8","1","","Vicente, José; Abad, José Antonio; López-Sáez, María-José; Jones, Peter G.","Reactivity of Ortho-Palladated Phenol Derivatives with Unsaturated Molecules. Carbodiimide Insertion into a C−Pd Bond and/or O−H Phenol Addition to a Carbodiimide","Organometallics","2006","25","8","1851","","10.1021/om0601652","","","0.71073","MoKα","","0.0483","0.0293","","","0.0698","0.0752","","","","","","1.022","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075262","8.562","0.0003","22.453","0.0008","10.082","0.0003","90","","114.353","0.002","90","","1765.73","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Ag Cl N3 O -","- C19 H17 Ag Cl N3 O -","- C76 H68 Ag4 Cl4 N12 O4 -","4","1","","Poyatos, Macarena; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.","Coordination Chemistry of a Modular N,C-Chelating Oxazole-Carbene Ligand and Its Applications in Hydrosilylation Catalysis§","Organometallics","2006","25","10","2634","","10.1021/om060166u","","","0.71073","MoKα","","0.119","0.0464","","","0.0931","0.1112","","","","","","1","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075263","11.615","0.0005","14.779","0.0007","13.821","0.0007","90","","108.415","0.003","90","","2251","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl4 N3 O Pd -","- C20 H19 Cl4 N3 O Pd -","- C80 H76 Cl16 N12 O4 Pd4 -","4","1","","Poyatos, Macarena; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.","Coordination Chemistry of a Modular N,C-Chelating Oxazole-Carbene Ligand and Its Applications in Hydrosilylation Catalysis§","Organometallics","2006","25","10","2634","","10.1021/om060166u","","","0.71073","MoKα","","0.1728","0.0658","","","0.1624","0.2115","","","","","","0.957","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075264","15.941","0.001","17.114","0.001","13.24","0.001","90","0.05","90","0.05","90","0.05","3612.1","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H34 I2 N6 O2 Pd -","- C38 H34 I2 N6 O2 Pd -","- C152 H136 I8 N24 O8 Pd4 -","4","0.5","","Poyatos, Macarena; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.","Coordination Chemistry of a Modular N,C-Chelating Oxazole-Carbene Ligand and Its Applications in Hydrosilylation Catalysis§","Organometallics","2006","25","10","2634","","10.1021/om060166u","","","0.7107","MoKα","","0.1393","0.0464","","","0.0942","0.1209","","","","","","0.952","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075265","22.86","0.001","9.52","0.001","31.005","0.002","90","","109.26","0.05","90","","6370","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60.75 H52 Cl4.5 N9 O6 Rh3 -","- C60.75 H52 Cl4.5 N9 O6 Rh3 -","- C243 H208 Cl18 N36 O24 Rh12 -","4","1","","Poyatos, Macarena; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.","Coordination Chemistry of a Modular N,C-Chelating Oxazole-Carbene Ligand and Its Applications in Hydrosilylation Catalysis§","Organometallics","2006","25","10","2634","","10.1021/om060166u","","","0.71073","MoKα","","0.089","0.0554","","","0.1635","0.1895","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075266","11.592","0.0006","14.823","0.0008","13.795","0.0009","90","","108.439","0.002","90","","2248.7","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl4 N3 O Pt -","- C20 H19 Cl4 N3 O Pt -","- C80 H76 Cl16 N12 O4 Pt4 -","4","1","","Poyatos, Macarena; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.","Coordination Chemistry of a Modular N,C-Chelating Oxazole-Carbene Ligand and Its Applications in Hydrosilylation Catalysis§","Organometallics","2006","25","10","2634","","10.1021/om060166u","","","0.71073","MoKα","","0.0644","0.0355","","","0.0634","0.0712","","","","","","1.026","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075267","20.628","0.003","18.05","0.003","20.269","0.003","90","","90","","90","","7547","2","125","2","125","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C35 H59 Cl N3 Si2 Ti -","- C35 H59 Cl N3 Si2 Ti -","- C280 H472 Cl8 N24 Si16 Ti8 -","8","1","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Terminal Titanium(IV) (Trimethylsilyl)imides Prepared by Oxidatively Induced Trimethylsilyl Abstraction","Organometallics","2006","25","11","2725","","10.1021/om060168e","","","0.71073","MoKα","","0.0651","0.0331","","","0.0746","0.0854","","","","","","0.952","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075268","39.26","0.03","11.143","0.007","17.73","0.013","90","","106.48","0.07","90","","7438","10","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H58 Cl N2 P2 Si2 Ti -","- C32 H58 Cl N2 P2 Si2 Ti -","- C256 H464 Cl8 N16 P16 Si16 Ti8 -","8","1","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Terminal Titanium(IV) (Trimethylsilyl)imides Prepared by Oxidatively Induced Trimethylsilyl Abstraction","Organometallics","2006","25","11","2725","","10.1021/om060168e","","","0.71073","MoKα","","0.0782","0.0448","","","0.1122","0.1295","","","","","","0.962","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075269","17.3349","0.001","17.8065","0.0009","25.2077","0.0014","90","","95.633","0.002","90","","7743.4","0.7","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C33 H50 F3 N3 O3 S Si Ti -","- C33 H50 F3 N3 O3 S Si Ti -","- C264 H400 F24 N24 O24 S8 Si8 Ti8 -","8","1","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Terminal Titanium(IV) (Trimethylsilyl)imides Prepared by Oxidatively Induced Trimethylsilyl Abstraction","Organometallics","2006","25","11","2725","","10.1021/om060168e","","","0.71073","MoKα","","0.0893","0.0708","","","0.1607","0.1709","","","","","","1.173","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075270","12.1919","0.0007","15.1607","0.0009","21.3558","0.0013","90","","106.39","0.002","90","","3786.9","0.4","125","2","125","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 F3 N2 O3 P2 S Si Ti -","- C30 H49 F3 N2 O3 P2 S Si Ti -","- C120 H196 F12 N8 O12 P8 S4 Si4 Ti4 -","4","1","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Terminal Titanium(IV) (Trimethylsilyl)imides Prepared by Oxidatively Induced Trimethylsilyl Abstraction","Organometallics","2006","25","11","2725","","10.1021/om060168e","","","0.71073","MoKα","","0.06","0.034","","","0.0678","0.0748","","","","","","0.88","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075271","9.8933","0.0009","22.248","0.002","13.1699","0.0012","90","","95.59","0.002","90","","2885","0.5","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl6 F6 N4 P Rh -","- C20 H26 Cl6 F6 N4 P Rh -","- C80 H104 Cl24 F24 N16 P4 Rh4 -","4","1","","Viciano, Mónica; Mas-Marzá, Elena; Sanaú, Mercedes; Peris, Eduardo","Synthesis and Reactivity of New Complexes of Rhodium and Iridium with Bis(dichloroimidazolylidene) Ligands. Electronic and Catalytic Implications of the Introduction of the Chloro Substituents in the NHC Rings","Organometallics","2006","25","12","3063","","10.1021/om060174a","","","0.71073","MoKα","","0.1321","0.0659","","","0.1766","0.2123","","","","","","1.029","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075272","8.0885","0.0016","15.882","0.003","8.9084","0.0018","90","","104.81","0.03","90","","1106.4","0.4","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 Cl4 F6 N4 O2 P Rh -","- C13 H12 Cl4 F6 N4 O2 P Rh -","- C26 H24 Cl8 F12 N8 O4 P2 Rh2 -","2","0.5","","Viciano, Mónica; Mas-Marzá, Elena; Sanaú, Mercedes; Peris, Eduardo","Synthesis and Reactivity of New Complexes of Rhodium and Iridium with Bis(dichloroimidazolylidene) Ligands. Electronic and Catalytic Implications of the Introduction of the Chloro Substituents in the NHC Rings","Organometallics","2006","25","12","3063","","10.1021/om060174a","","","0.71073","MoKα","","0.1191","0.0919","","","0.2475","0.2752","","","","","","1.123","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075273","8.0898","0.0005","15.8913","0.001","8.9124","0.0005","90","","104.882","0.001","90","","1107.32","0.12","273","2","273","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 Cl4 F6 Ir N4 O2 P -","- C13 H12 Cl4 F6 Ir N4 O2 P -","- C26 H24 Cl8 F12 Ir2 N8 O4 P2 -","2","0.5","","Viciano, Mónica; Mas-Marzá, Elena; Sanaú, Mercedes; Peris, Eduardo","Synthesis and Reactivity of New Complexes of Rhodium and Iridium with Bis(dichloroimidazolylidene) Ligands. Electronic and Catalytic Implications of the Introduction of the Chloro Substituents in the NHC Rings","Organometallics","2006","25","12","3063","","10.1021/om060174a","","","0.71073","MoKα","","0.0579","0.0389","","","0.1059","0.1176","","","","","","1.117","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075274","8.7689","0.0012","10.4345","0.0007","12.294","0.002","89.967","0.005","76.814","0.006","89.988","0.011","1095.2","0.2","100","","100","","","","","","","","tetrahydrofuran","7","P -1","-P 1","2","","tris(trimethylphosphine)(η^3^-allyl)nickel(ii) trifluoromethanesulfonate","","- C13 H32 F3 Ni O3 P3 S -","- C13 H32 F3 Ni O3 P3 S -","- C26 H64 F6 Ni2 O6 P6 S2 -","2","1","","Rufińska, Anna; Goddard, Richard; Weidenthaler, Claudia; Bühl, Michael; Pörschke, Klaus-Richard","Structural Properties and Dynamics of Five-Coordinate Nickel(II)−π-Allyl Complexes Containing Monodentate Phosphorus Ligands","Organometallics","2006","25","9","2308","","10.1021/om0601807","","","0.71073","MoKα","","0.0527","0.0424","","","0.0887","0.0942","","","","","","1.044","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075275","10.3078","0.0002","12.9243","0.0002","15.9969","0.0003","90","","90.162","0.001","90","","2131.12","0.07","100","","100","","","","","","","","tetrahydrofuran","5","P 1 21/c 1","-P 2ybc","14","","Tris(trimethylphosphine)(η^3^-allyl)nickel(ii)hexafluorophosphate","","- C12 H32 F6 Ni P4 -","- C12 H32 F6 Ni P4 -","- C48 H128 F24 Ni4 P16 -","4","1","","Rufińska, Anna; Goddard, Richard; Weidenthaler, Claudia; Bühl, Michael; Pörschke, Klaus-Richard","Structural Properties and Dynamics of Five-Coordinate Nickel(II)−π-Allyl Complexes Containing Monodentate Phosphorus Ligands","Organometallics","2006","25","9","2308","","10.1021/om0601807","","","0.71073","MoKα","","0.1247","0.0891","","","0.1971","0.2107","","","","","","1.21","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075276","8.3014","0.0002","11.3832","0.0002","12.9936","0.0003","90","","92.894","0.001","90","","1226.28","0.05","100","","100","","","","","","","","diethylether/dichloromethane","6","P 1 21 1","P 2yb","4","","η^3^-allyl-trimethylphosphite-nickel(ii)-hexafluorophosphate","","- C12 H32 F6 Ni O9 P4 -","- C12 H32 F6 Ni O9 P4 -","- C24 H64 F12 Ni2 O18 P8 -","2","1","","Rufińska, Anna; Goddard, Richard; Weidenthaler, Claudia; Bühl, Michael; Pörschke, Klaus-Richard","Structural Properties and Dynamics of Five-Coordinate Nickel(II)−π-Allyl Complexes Containing Monodentate Phosphorus Ligands","Organometallics","2006","25","9","2308","","10.1021/om0601807","","","0.71073","MoKα","","0.0287","0.0269","","","0.0691","0.0701","","","","","","1.041","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075277","10.7181","0.0002","8.1124","0.0001","12.6683","0.0002","90","","96.078","0.001","90","","1095.31","0.03","100","","100","","","","","","","","dichloromethane/diethylether","6","P 1 21 1","P 2yb","4","","η^3^-allyl-trimethylphosphite-nickel(ii)-bromide","","- C12 H32 Br Ni O9 P3 -","- C12 H32 Br Ni O9 P3 -","- C24 H64 Br2 Ni2 O18 P6 -","2","1","","Rufińska, Anna; Goddard, Richard; Weidenthaler, Claudia; Bühl, Michael; Pörschke, Klaus-Richard","Structural Properties and Dynamics of Five-Coordinate Nickel(II)−π-Allyl Complexes Containing Monodentate Phosphorus Ligands","Organometallics","2006","25","9","2308","","10.1021/om0601807","","","0.71073","MoKα","","0.0721","0.0496","","","0.0791","0.0857","","","","","","1.028","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075278","11.6045","0.0001","16.1857","0.0003","12.2778","0.0002","90","","94.796","0.001","90","","2298.03","0.06","100","","100","","","","","","","","diethylether/dichloromethane","6","P 1 21/n 1","-P 2yn","14","","η^3^-allyl-trimethylphosphite-nickel(ii)-hexafluorophosphate","","- C12 H32 I Ni O9 P3 -","- C12 H32 I Ni O9 P3 -","- C48 H128 I4 Ni4 O36 P12 -","4","1","","Rufińska, Anna; Goddard, Richard; Weidenthaler, Claudia; Bühl, Michael; Pörschke, Klaus-Richard","Structural Properties and Dynamics of Five-Coordinate Nickel(II)−π-Allyl Complexes Containing Monodentate Phosphorus Ligands","Organometallics","2006","25","9","2308","","10.1021/om0601807","","","0.71073","MoKα","","0.0332","0.0251","","","0.0621","0.0655","","","","","","1.027","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075279","14.3431","0.0003","16.5223","0.0004","14.6397","0.0003","90","","111.655","0.001","90","","3224.47","0.12","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H6 Ag2 Au2 F20 N2 -","- C28 H6 Ag2 Au2 F20 N2 -","- C112 H24 Ag8 Au8 F80 N8 -","4","0.5","","Fernández, Eduardo J.; Laguna, Antonio; López-de-Luzuriaga, José M.; Monge, Miguel; Montiel, Manuel; Olmos, M. Elena; Rodríguez-Castillo, María","Photophysical and Theoretical Studies on Luminescent Tetranuclear Coinage Metal Building Blocks","Organometallics","2006","25","15","3639","","10.1021/om060181z","","","0.71073","MoKα","","0.0579","0.0361","","","0.0715","0.0781","","","","","","1.033","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075280","14.0107","0.0002","16.4487","0.0004","14.0295","0.0003","90","","106.119","0.0013","90","","3106.1","0.11","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H6 Au2 Cu2 F20 N2 -","- C28 H6 Au2 Cu2 F20 N2 -","- C112 H24 Au8 Cu8 F80 N8 -","4","0.5","","Fernández, Eduardo J.; Laguna, Antonio; López-de-Luzuriaga, José M.; Monge, Miguel; Montiel, Manuel; Olmos, M. Elena; Rodríguez-Castillo, María","Photophysical and Theoretical Studies on Luminescent Tetranuclear Coinage Metal Building Blocks","Organometallics","2006","25","15","3639","","10.1021/om060181z","","","0.71073","MoKα","","0.0511","0.0289","","","0.0533","0.0578","","","","","","1.034","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075281","18.892","0.0006","9.2032","0.0003","10.5612","0.0003","90","","90","","90","","1836.24","0.1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H27 Cl Ni O P2 -","- C15 H27 Cl Ni O P2 -","- C60 H108 Cl4 Ni4 O4 P8 -","4","1","","Cámpora, Juan; Matas, Inmaculada; Maya, Celia M.; Palma, Pilar; Álvarez, Eleuterio","Self-Addition of Metallacyclic Nickel Enolate Complexes Stabilized by Monodentate Phosphine Ligands†","Organometallics","2006","25","13","3124","","10.1021/om060183j","","","0.71073","MoKα","","0.0489","0.0455","","","0.1067","0.1084","","","","","","1.106","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075282","11.656","0.0006","12.2387","0.0006","12.8339","0.0007","66.272","0.001","63.711","0.001","69.297","0.001","1468.02","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Ni2 O3 P2 -","- C32 H36 Ni2 O3 P2 -","- C64 H72 Ni4 O6 P4 -","2","1","","Cámpora, Juan; Matas, Inmaculada; Maya, Celia M.; Palma, Pilar; Álvarez, Eleuterio","Self-Addition of Metallacyclic Nickel Enolate Complexes Stabilized by Monodentate Phosphine Ligands†","Organometallics","2006","25","13","3124","","10.1021/om060183j","","","0.71073","MoKα","","0.0377","0.0281","","","0.0672","0.0715","","","","","","1.057","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075283","10.8446","0.0009","16.8315","0.0014","12.7181","0.0011","90","","102.542","0.002","90","","2266","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 Ni O P2 -","- C25 H30 Ni O P2 -","- C100 H120 Ni4 O4 P8 -","4","1","","Cámpora, Juan; Matas, Inmaculada; Maya, Celia M.; Palma, Pilar; Álvarez, Eleuterio","Self-Addition of Metallacyclic Nickel Enolate Complexes Stabilized by Monodentate Phosphine Ligands†","Organometallics","2006","25","13","3124","","10.1021/om060183j","","","0.71073","MoKα","","0.0512","0.039","","","0.0849","0.0884","","","","","","0.972","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075284","8.773","0.0018","13.301","0.003","17.47","0.004","82.526","0.004","82.582","0.004","87.424","0.004","2003.5","0.8","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 Cl2 N Ti -","- C20 H25 Cl2 N Ti -","- C80 H100 Cl8 N4 Ti4 -","4","2","","Cho, Dae Joon; Wu, Chun Ji; S, Sujith; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","o-Phenylene-Bridged Cp/Amido Titanium Complexes for Ethylene/1-Hexene Copolymerizations","Organometallics","2006","25","9","2133","2134","10.1021/om0601854","","","0.71073","MoKα","","0.0433","0.0336","","","0.089","0.0954","","","","","","1.046","","","","has coordinates","209857","2020-10-21","18:00:00",""
"4075285","8.3533","0.001","11.2763","0.0013","11.9066","0.0014","99.884","0.002","98.641","0.002","106.94","0.002","1032.8","0.2","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Cl3 N Ti -","- C20 H24 Cl3 N Ti -","- C40 H48 Cl6 N2 Ti2 -","2","1","","Cho, Dae Joon; Wu, Chun Ji; S, Sujith; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","o-Phenylene-Bridged Cp/Amido Titanium Complexes for Ethylene/1-Hexene Copolymerizations","Organometallics","2006","25","9","2133","2134","10.1021/om0601854","","","0.71073","MoKα","","0.0848","0.0607","","","0.204","0.2205","","","","","","1.134","","","","has coordinates","209857","2020-10-21","18:00:00",""
"4075286","9.0887","0.0018","10.574","0.002","13.65","0.003","68.33","0.03","78.31","0.03","83","0.03","1192.2","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Ph(CC)2Ph-2[(o-C6F4Hg)3]","","","- C52 H10 F24 Hg6 -","- C52 H10 F24 Hg6 -","- C52 H10 F24 Hg6 -","1","0.5","","Taylor, Thomas J.; Gabbaï, François P.","Supramolecular Stabilization of α,ω-Diphenylpolyynes by Complexation to the Tridentate Lewis Acid [o-C6F4Hg]3","Organometallics","2006","25","9","2143","","10.1021/om060186w","","","0.71073","MoKα","","0.0646","0.0599","","","0.1583","0.1649","","","","","","1.013","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075287","12.36","0.003","30.321","0.006","9.0688","0.0018","90","","108.43","0.03","90","","3224.4","1.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ph(CC)3Ph-[(o-C6F4Hg)3]","","","- C36 H10 F12 Hg3 -","- C36 H10 F12 Hg3 -","- C144 H40 F48 Hg12 -","4","0.5","","Taylor, Thomas J.; Gabbaï, François P.","Supramolecular Stabilization of α,ω-Diphenylpolyynes by Complexation to the Tridentate Lewis Acid [o-C6F4Hg]3","Organometallics","2006","25","9","2143","","10.1021/om060186w","","","0.71073","MoKα","","0.0403","0.0336","","","0.0853","0.0881","","","","","","1.008","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075288","6.9766","0.0014","10.317","0.002","18.189","0.004","95.01","0.03","93.27","0.03","102.36","0.03","1270.1","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Ph(CC)4Ph-2[(o-C6F4Hg)3]","","","- C28 H5 F12 Hg3 -","- C28 H5 F12 Hg3 -","- C56 H10 F24 Hg6 -","2","1","","Taylor, Thomas J.; Gabbaï, François P.","Supramolecular Stabilization of α,ω-Diphenylpolyynes by Complexation to the Tridentate Lewis Acid [o-C6F4Hg]3","Organometallics","2006","25","9","2143","","10.1021/om060186w","","","0.71073","MoKα","","0.0435","0.0377","","","0.0907","0.1056","","","","","","1.013","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075289","9.6848","0.0019","7.1522","0.0014","43.542","0.009","90","","95.49","0.03","90","","3002.2","1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ph(CC)6Ph-2[(o-C6F4Hg)3]","","","- C31 H7 Cl2 F12 Hg3 -","- C31 H7 Cl2 F12 Hg3 -","- C124 H28 Cl8 F48 Hg12 -","4","1","","Taylor, Thomas J.; Gabbaï, François P.","Supramolecular Stabilization of α,ω-Diphenylpolyynes by Complexation to the Tridentate Lewis Acid [o-C6F4Hg]3","Organometallics","2006","25","9","2143","","10.1021/om060186w","","","0.71073","MoKα","","0.0849","0.0528","","","0.0956","0.11","","","","","","1.009","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075290","8.8571","0.0002","20.297","0.0004","21.4132","0.0004","90","","90","","90","","3849.51","0.14","153","","","","","","","","","","Peters laboratory","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H46 Fe I N2 P Pd -","- C44 H46 Fe I N2 P Pd -","- C176 H184 Fe4 I4 N8 P4 Pd4 -","4","1","","Peters, René; Xin, Zhuo-qun; Fischer, Daniel F.; Schweizer, W. Bernd","Synthesis and Diastereoselectiveortho-Lithiation/Cyclopalladation of Enantiopure [2-Imidazolyl]-1‘,2‘,3‘,4‘,5‘-pentamethylferrocenes and -1‘,2‘,3‘,4‘,5‘-pentaphenylferrocenes","Organometallics","2006","25","12","2917","","10.1021/om060187o","","","0.71073","MoKα","","0.0605","0.056","","","0.1543","0.1612","","","","","","1.285","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075291","33.464","0.012","13.172","0.005","19.356","0.007","90","","108.274","0.006","90","","8102","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H124 Na4 O2 Zr4 -","- C80 H124 Na4 O2 Zr4 -","- C320 H496 Na16 O8 Zr16 -","4","0.5","","Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Wannere, Chaitanya S.; Schleyer, Paul v. R.; Robinson, Gregory H.","A Self-Assembled Organometallic Sphere: [{(t-BuC5H4)(t-BuC5H3)Zr(μ-H)Na}2]4","Organometallics","2006","25","13","3286","","10.1021/om0601899","","","0.71073","MoKα","","0.1989","0.0752","","","0.1712","0.2402","","","","","","1.032","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075292","30.6848","0.0012","30.6848","0.0012","33.474","0.002","90","","90","","90","","31518","3","273","2","273","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C158 H224 Na8 Zr8 -","- C158 H208 Na8 Zr8 -","- C1264 H1664 Na64 Zr64 -","8","0.25","","Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Wannere, Chaitanya S.; Schleyer, Paul v. R.; Robinson, Gregory H.","A Self-Assembled Organometallic Sphere: [{(t-BuC5H4)(t-BuC5H3)Zr(μ-H)Na}2]4","Organometallics","2006","25","13","3286","","10.1021/om0601899","","","0.71073","MoKα","","0.0833","0.0397","","","0.1001","0.1541","","","","","","1.117","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075293","11.3362","0.0017","26.444","0.004","21.509","0.003","90","","91.964","0.002","90","","6444.1","1.6","113.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H100 O12 P2 Pt Si7 -","- C53 H100 O12 P2 Pt Si7 -","- C212 H400 O48 P8 Pt4 Si28 -","4","1","","Mintcheva, Neli; Tanabe, Makoto; Osakada, Kohtaro","Preparation and Structure of New Phenylplatinum Complexes Containing Silsesquioxane as a Monodentate or Bidentate Ligand","Organometallics","2006","25","15","3776","","10.1021/om060192s","","","0.7107","MoKα","","","0.0368","","","","0.1017","","","","","","0.939","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075294","13.58","0.002","13.659","0.002","19.933","0.003","71.799","0.006","73.423","0.006","68.216","0.006","3200.9","0.8","113.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H100 O12 P2 Pt Si7 -","- C46 H100 O12 P2 Pt Si7 -","- C92 H200 O24 P4 Pt2 Si14 -","2","1","","Mintcheva, Neli; Tanabe, Makoto; Osakada, Kohtaro","Preparation and Structure of New Phenylplatinum Complexes Containing Silsesquioxane as a Monodentate or Bidentate Ligand","Organometallics","2006","25","15","3776","","10.1021/om060192s","","","0.7107","MoKα","","","0.0385","","","","0.1093","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075295","25.81","0.006","13.462","0.003","24.976","0.006","90","","114.184","0.003","90","","7916","3","293.1","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C77 H99 Ag O12 P2 Pt Si7 -","- C77 H89 Ag O12 P2 Pt Si7 -","- C308 H356 Ag4 O48 P8 Pt4 Si28 -","4","1","","Mintcheva, Neli; Tanabe, Makoto; Osakada, Kohtaro","Preparation and Structure of New Phenylplatinum Complexes Containing Silsesquioxane as a Monodentate or Bidentate Ligand","Organometallics","2006","25","15","3776","","10.1021/om060192s","","","0.7107","MoKα","","","0.0478","","","","0.1375","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075296","12.7836","0.0019","27.027","0.004","23.001","0.004","90","","90.52","0.003","90","","7947","2","113.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H106 Ag O12 P2 Pt Si7 -","- C73.5 H88 Ag O12 P2 Pt Si7 -","- C294 H352 Ag4 O48 P8 Pt4 Si28 -","4","1","","Mintcheva, Neli; Tanabe, Makoto; Osakada, Kohtaro","Preparation and Structure of New Phenylplatinum Complexes Containing Silsesquioxane as a Monodentate or Bidentate Ligand","Organometallics","2006","25","15","3776","","10.1021/om060192s","","","0.7107","MoKα","","","0.0732","","","","0.2217","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075297","8.792","0.003","14.694","0.004","15.298","0.004","90","","100.397","0.003","90","","1943.9","1","113.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 O2 P2 Pt2 -","- C48 H42 O2 P2 Pt2 -","- C96 H84 O4 P4 Pt4 -","2","0.5","","Mintcheva, Neli; Tanabe, Makoto; Osakada, Kohtaro","Preparation and Structure of New Phenylplatinum Complexes Containing Silsesquioxane as a Monodentate or Bidentate Ligand","Organometallics","2006","25","15","3776","","10.1021/om060192s","","","0.7107","MoKα","","","0.0346","","","","0.0864","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075298","10.977","0.002","19.155","0.004","20.287","0.004","90","","90","","90","","4265.6","1.5","263","2","263","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 F3 N3 O9 Re S -","- C43 H35 F3 N3 O9 Re S -","- C172 H140 F12 N12 O36 Re4 S4 -","4","1","","Lo, Kenneth Kam-Wing; Tsang, Keith Hing-Kit; Zhu, Nianyong","Luminescent Tricarbonylrhenium(I) Polypyridine Estradiol Conjugates: Synthesis, Crystal Structure, and Photophysical, Electrochemical, and Protein-Binding Properties","Organometallics","2006","25","13","3220","","10.1021/om060193k","","","0.71073","MoKα","","0.0408","0.0283","","","0.0611","0.0648","","","","","","0.947","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075299","7.8852","0.0005","12.1962","0.0008","16.7171","0.0011","90","","102.449","0.001","90","","1569.88","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 B10 O -","- C11 H20 B10 O -","- C44 H80 B40 O4 -","4","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.0771","0.0602","","","0.1738","0.1898","","","","","","1.023","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075300","12.8641","0.0006","12.9076","0.0006","18.1202","0.0008","90","","90","","90","","3008.8","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H18 B10 -","- C11 H18 B10 -","- C88 H144 B80 -","8","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.0808","0.0577","","","0.163","0.1889","","","","","","1.039","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075301","22.7062","0.0011","13.0574","0.0007","21.107","0.001","90","","90.127","0.001","90","","6257.9","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H20 B10 O -","- C11 H20 B10 O -","- C176 H320 B160 O16 -","16","2","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.0924","0.0625","","","0.1801","0.2097","","","","","","1.091","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075302","7.1706","0.0005","19.5461","0.0014","10.7745","0.0007","90","","98.132","0.001","90","","1494.94","0.18","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 B10 -","- C11 H18 B10 -","- C44 H72 B40 -","4","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.1004","0.0619","","","0.1585","0.1949","","","","","","1.049","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075303","45.89","0.004","10.9493","0.0009","35.572","0.003","90","","121.648","0.002","90","","15216","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H102 B20 Cl Er2 Na O8.5 -","- C56 H102 B20 Cl Er2 Na O8.5 -","- C448 H816 B160 Cl8 Er16 Na8 O68 -","8","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.1181","0.0831","","","0.242","0.2602","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075304","10.677","0.002","13.46","0.003","15.145","0.003","100.01","0.03","108.77","0.03","100.24","0.03","1964.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H114 B20 Na6 O10 -","- C62 H114 B20 Na6 O10 -","- C62 H114 B20 Na6 O10 -","1","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.1133","0.099","","","0.263","0.2843","","","","","","1.115","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075305","17.4931","0.0008","34.2786","0.0014","46.1932","0.0018","90","","90","","90","","27699","2","293","2","293","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C42 H74 B20 Cl Na O5 Y2 -","- C41 H50 B20 Cl Na O5 Y2 -","- C656 H800 B320 Cl16 Na16 O80 Y32 -","16","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.1454","0.0874","","","0.2747","0.2999","","","","","","0.946","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075306","17.5472","0.0008","34.6509","0.0015","46.269","0.002","90","","90","","90","","28133","2","293","2","293","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C42 H74 B20 Cl Er2 Na O5 -","- C41 H66 B20 Cl Er2 Na O5 -","- C656 H1056 B320 Cl16 Er32 Na16 O80 -","16","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.1448","0.0716","","","0.2324","0.2754","","","","","","0.978","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075307","33.105","0.006","40.435","0.007","17.226","0.003","90","","90","","90","","23059","7","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C45 H78 B21 Er2 Na O4 -","- C45 H74 B21 Er2 Na O4 -","- C720 H1184 B336 Er32 Na16 O64 -","16","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.1297","0.0673","","","0.1531","0.2014","","","","","","1.044","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075308","16.917","0.002","13.1127","0.0018","17.237","0.002","90","","101.292","0.003","90","","3749.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H114 B20 Er2 Na4 O10 -","- C61 H82 B20 Er2 Na4 O10 -","- C122 H164 B40 Er4 Na8 O20 -","2","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.07","0.039","","","0.1051","0.1377","","","","","","1.098","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075309","13.525","0.004","22.096","0.006","22.507","0.006","65.395","0.005","78.125","0.005","87.47","0.005","5978","3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.75 H67.75 B F15 N3 Sc -","- C58.75 H67.75 B F15 N3 Sc -","- C235 H271 B4 F60 N12 Sc4 -","4","2","","Knight, Lisa K.; Piers, Warren E.; McDonald, Robert","β-Diketiminato Scandium Chemistry: Attempted Deprotonation of Cationic Amido Complexes","Organometallics","2006","25","13","3289","","10.1021/om060197p","","","0.71073","MoKα","","0.1107","0.0714","","","0.1853","0.2136","","","","","","0.986","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075310","8.938","0.004","9.254","0.003","26.623","0.007","84.03","0.03","86.14","0.04","86.4","0.03","2181.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C18-bimyAgCl","","","- C43 H78 Ag Cl N2 -","- C43 H78 Ag Cl N2 -","- C86 H156 Ag2 Cl2 N4 -","2","1","","Lee, C. K.; Vasam, Chandra Sekhar; Huang, T. W.; Wang, H. M. J.; Yang, R. Y.; Lee, C. S.; Lin, Ivan J. B.","Silver(I) N-Heterocyclic Carbenes with Long N-Alkyl Chains","Organometallics","2006","25","15","3768","","10.1021/om060198h","","","0.71073","MoKα","","0.0808","0.047","","","0.0976","0.1103","","","","","","1.029","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075311","18.39","0.002","17.075","0.0017","18.536","0.004","90","","98.827","0.012","90","","5751.5","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H92 Ag2 Br2 N4 -","- C54 H92 Ag2 Br2 N4 -","- C216 H368 Ag8 Br8 N16 -","4","1","","Lee, C. K.; Vasam, Chandra Sekhar; Huang, T. W.; Wang, H. M. J.; Yang, R. Y.; Lee, C. S.; Lin, Ivan J. B.","Silver(I) N-Heterocyclic Carbenes with Long N-Alkyl Chains","Organometallics","2006","25","15","3768","","10.1021/om060198h","","","0.71073","MoKα","","0.2121","0.075","","","0.1496","0.1961","","","","","","1.032","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075312","22.21","0.004","16.383","0.003","9.2619","0.0018","90","","99.055","0.004","90","","3328.1","1.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H120 Ag2 Cl2 N4 -","- C62 H120 Ag2 Cl2 N4 -","- C124 H240 Ag4 Cl4 N8 -","2","0.5","","Lee, C. K.; Vasam, Chandra Sekhar; Huang, T. W.; Wang, H. M. J.; Yang, R. Y.; Lee, C. S.; Lin, Ivan J. B.","Silver(I) N-Heterocyclic Carbenes with Long N-Alkyl Chains","Organometallics","2006","25","15","3768","","10.1021/om060198h","","","0.71073","MoKα","","0.0388","0.0294","","","0.0773","0.0812","","","","","","1.061","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075313","9.029","0.002","15.964","0.001","14.56","0.001","90","","90","","90","","2098.7","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Et2-imyAgCl","","","- C14 H24 Ag2 Cl2 N4 -","- C14 H24 Ag2 Cl2 N4 -","- C56 H96 Ag8 Cl8 N16 -","4","0.5","","Lee, C. K.; Vasam, Chandra Sekhar; Huang, T. W.; Wang, H. M. J.; Yang, R. Y.; Lee, C. S.; Lin, Ivan J. B.","Silver(I) N-Heterocyclic Carbenes with Long N-Alkyl Chains","Organometallics","2006","25","15","3768","","10.1021/om060198h","","","0.71073","MoKα","","0.0684","0.054","","","0.133","0.1455","","","","","","1.029","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075314","9.2283","0.0015","17.06","0.003","6.7156","0.0011","90","","105.848","0.002","90","","1017.1","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Me2-bimyAgBr","","","- C18 H20 Ag2 Br2 N4 -","- C18 H20 Ag2 Br2 N4 -","- C36 H40 Ag4 Br4 N8 -","2","0.5","","Lee, C. K.; Vasam, Chandra Sekhar; Huang, T. W.; Wang, H. M. J.; Yang, R. Y.; Lee, C. S.; Lin, Ivan J. B.","Silver(I) N-Heterocyclic Carbenes with Long N-Alkyl Chains","Organometallics","2006","25","15","3768","","10.1021/om060198h","","","0.71073","MoKα","","0.1392","0.0995","","","0.2617","0.3","","","","","","1.062","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075315","15.03","0.0001","15.063","0.0001","21.646","0.0002","90","","96.431","0.001","90","","4869.75","0.06","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H72 F6 N6 O P Rh -","- C46 H72 F6 N6 O P Rh -","- C184 H288 F24 N24 O4 P4 Rh4 -","4","1","","Burling, Suzanne; Douglas, Susie; Mahon, Mary F.; Nama, Devendrababu; Pregosin, Paul S.; Whittlesey, Michael K.","Cationic Tris N-Heterocyclic Carbene Rhodium Carbonyl Complexes: Molecular Structures and Solution NMR Studies","Organometallics","2006","25","10","2642","","10.1021/om060202p","","","0.71073","MoKα","","0.0331","0.0286","","","0.0719","0.0755","","","","","","1.03","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075316","9.983","0.0001","12.714","0.0001","16.459","0.0001","80.367","0.001","76.2","0.001","80.032","0.001","1980.69","0.03","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H60 F6 N6 O P Rh -","- C34 H60 F6 N6 O P Rh -","- C68 H120 F12 N12 O2 P2 Rh2 -","2","1","","Burling, Suzanne; Douglas, Susie; Mahon, Mary F.; Nama, Devendrababu; Pregosin, Paul S.; Whittlesey, Michael K.","Cationic Tris N-Heterocyclic Carbene Rhodium Carbonyl Complexes: Molecular Structures and Solution NMR Studies","Organometallics","2006","25","10","2642","","10.1021/om060202p","","","0.71073","MoKα","","0.0361","0.0306","","","0.0743","0.0774","","","","","","1.046","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075317","10.511","0.0001","14.419","0.0001","15.41","0.0001","84.158","0.001","78.804","0.001","86.557","0.001","2277.22","0.03","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H66 Cl2 F6 N6 O P Rh -","- C39 H66 Cl2 F6 N6 O P Rh -","- C78 H132 Cl4 F12 N12 O2 P2 Rh2 -","2","1","","Burling, Suzanne; Douglas, Susie; Mahon, Mary F.; Nama, Devendrababu; Pregosin, Paul S.; Whittlesey, Michael K.","Cationic Tris N-Heterocyclic Carbene Rhodium Carbonyl Complexes: Molecular Structures and Solution NMR Studies","Organometallics","2006","25","10","2642","","10.1021/om060202p","","","0.71073","MoKα","","0.0348","0.0305","","","0.0756","0.0778","","","","","","1.04","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075318","14.4708","0.0009","15.282","0.0008","17.4377","0.0011","69.479","0.003","77.378","0.003","61.798","0.003","3176.3","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H68 B Cl6 O P Pd S -","- C67 H68 B Cl6 O P Pd S -","- C134 H136 B2 Cl12 O2 P2 Pd2 S2 -","2","1","","Emslie, David J. H.; Blackwell, James. M.; Britten, James F.; Harrington, Laura E.","A Zwitterionic Palladium(II) η3-Boratoxypentadienyl Complex: Cooperative Activation of Dibenzylideneacetone between Palladium and a Phosphine/Thioether/Borane Ligand","Organometallics","2006","25","10","2412","","10.1021/om0602052","","","0.71073","MoKα","","0.0824","0.0522","","","0.1209","0.1358","","","","","","1.029","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075319","17.465","0.007","15.145","0.007","17.87","0.008","90","","90","","90","","4727","4","293.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H25 F6 N2 P Pt -","- C24 H25 F6 N2 P Pt -","- C192 H200 F48 N16 P8 Pt8 -","8","1","","Suzaki, Yuji; Osakada, Kohtaro","Chemical Properties of Mononuclear and Dinuclear Phenylplatinum(II) Hydroxo Complexes with Cod Ligands. Transmetalation of Arylboronic Acids, Coupling of the Phenyl Ligands, and Carbonylation","Organometallics","2006","25","13","3251","","10.1021/om060206u","","","0.7107","MoKα","","","0.0418","","","","0.0762","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075320","8.8868","0.001","12.4139","0.0014","13.2544","0.0016","90","","92.9672","0.0014","90","","1460.3","0.3","113.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 I O Pt -","- C15 H17 I O Pt -","- C60 H68 I4 O4 Pt4 -","4","1","","Suzaki, Yuji; Osakada, Kohtaro","Chemical Properties of Mononuclear and Dinuclear Phenylplatinum(II) Hydroxo Complexes with Cod Ligands. Transmetalation of Arylboronic Acids, Coupling of the Phenyl Ligands, and Carbonylation","Organometallics","2006","25","13","3251","","10.1021/om060206u","","","0.7107","MoKα","","","0.0271","","","","0.0412","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075321","14.271","0.004","15.302","0.005","14.92","0.005","90","","91.69","0.02","90","","3256.7","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H43 Al Cl4 Mn3 O8 -","- C19 H43 Al Cl4 Mn3 O8 -","- C76 H172 Al4 Cl16 Mn12 O32 -","4","1","","Jerzykiewicz, Lucjan B.; Utko, Józef; Sobota, Piotr","Structural Characterization of Manganese(II) Compounds with Methylalumoxane (MAO) and AlMe2Units","Organometallics","2006","25","20","4924","","10.1021/om060207m","","","0.71073","MoKα","","0.068","0.0442","","","0.0968","0.1027","","","","","","1.012","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075322","8.995","0.003","9.55","0.003","15.102","0.005","90.09","0.02","90.27","0.02","112.26","0.02","1200.6","0.7","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H39 Al3 Mn O7 -","- C15 H39 Al3 Mn O7 -","- C30 H78 Al6 Mn2 O14 -","2","1","","Jerzykiewicz, Lucjan B.; Utko, Józef; Sobota, Piotr","Structural Characterization of Manganese(II) Compounds with Methylalumoxane (MAO) and AlMe2Units","Organometallics","2006","25","20","4924","","10.1021/om060207m","","","0.71073","MoKα","","0.0382","0.0326","","","0.0718","0.0741","","","","","","1.078","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075323","9.4134","0.0019","32.694","0.007","13.215","0.003","90","","110.86","0.03","90","","3800.5","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H56 B10 Ru Si4 -","- C26 H56 B10 Ru Si4 -","- C104 H224 B40 Ru4 Si16 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NCCH3)2with Me3SiC⋮CR. Synthesis and Structural Characterization of Mononuclear Ruthenium Bis(vinylidene) and Vinylvinylidene Complexes","Organometallics","2006","25","11","2719","","10.1021/om060211y","","","0.71073","MoKα","","0.0602","0.0508","","","0.1317","0.1381","","","","","","1.11","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075324","18.2566","0.0009","10.5525","0.0005","22.7478","0.0011","90","","90.27","0.001","90","","4382.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 B20 Ru2 Si2 -","- C30 H60 B20 Ru2 Si2 -","- C120 H240 B80 Ru8 Si8 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NCCH3)2with Me3SiC⋮CR. Synthesis and Structural Characterization of Mononuclear Ruthenium Bis(vinylidene) and Vinylvinylidene Complexes","Organometallics","2006","25","11","2719","","10.1021/om060211y","","","0.71073","MoKα","","0.0383","0.0275","","","0.0696","0.0735","","","","","","1.048","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075325","12.859","0.0006","15.3673","0.0008","17.4863","0.0009","93.805","0.002","100.624","0.002","103.744","0.002","3276.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H54 B5 Ir Ru2 -","- C30 H54 B5 Ir Ru2 -","- C120 H216 B20 Ir4 Ru8 -","4","2","","Mavunkal, Ipe J.; Noll, Bruce C.; Meijboom, Reinout; Muller, Alfred; Fehlner, Thomas P.","Novel Approach to Multimetal Metallaborane Clusters. Synthesis of Hypoelectronicnido-Cp*3IrRu2B5H9from the Reaction ofarachno-Cp*IrB3H9withnido-(Cp*RuH)2B3H7","Organometallics","2006","25","12","2906","","10.1021/om060213i","","x-ray","0.71073","MoKα","","","0.03","","","","0.074","","","","","","1.034","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075326","8.47","0.0017","10.93","0.002","18.24","0.004","90.39","0.03","94.38","0.03","110.44","0.03","1576.7","0.6","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C30 H50 B5 Ir Ru2 -","- C30 H50 B5 Ir Ru2 -","- C60 H100 B10 Ir2 Ru4 -","2","1","","Mavunkal, Ipe J.; Noll, Bruce C.; Meijboom, Reinout; Muller, Alfred; Fehlner, Thomas P.","Novel Approach to Multimetal Metallaborane Clusters. Synthesis of Hypoelectronicnido-Cp*3IrRu2B5H9from the Reaction ofarachno-Cp*IrB3H9withnido-(Cp*RuH)2B3H7","Organometallics","2006","25","12","2906","","10.1021/om060213i","","x-ray","0.71073","MoKα","","0.0548","0.0526","","","0.1502","0.1529","","","","","","1.09","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075327","8.4126","0.0005","11.0513","0.0007","11.2962","0.0008","74.006","0.003","73.075","0.003","85.554","0.003","965.83","0.11","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H67 Cr Mg N4 Na -","- C38 H67 Cr Mg N4 Na -","- C38 H67 Cr Mg N4 Na -","1","1","","Andrikopoulos, Prokopis C.; Armstrong, David R.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.","Synergic Para-Directed Monometalation of Bis(toluene)chromium by Alkali-Metal-Mediated Magnesiation","Organometallics","2006","25","10","2415","","10.1021/om060216v","","","0.71073","MoKα","","0.0974","0.064","","","0.1314","0.1487","","","","","","1.088","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075328","15.395","0.003","20.705","0.004","23.424","0.005","112.88","0.03","108.73","0.03","91.46","0.03","6417","3","243","2","243","2","","","","","","","","8","P -1","-P 1","2","","","","- C105 H128 Cl18 F12 N6 O7 P2 Pt2 -","- C105 H122 Cl18 F12 N6 O7 P2 Pt2 -","- C210 H244 Cl36 F24 N12 O14 P4 Pt4 -","2","1","","Lo, Hiu-Suet; Yip, Sung-Kong; Wong, Keith Man-Chung; Zhu, Nianyong; Yam, Vivian Wing-Wah","Selective Luminescence Chemosensing of Potassium Ions Based on a Novel Platinum(II) Alkynylcalix[4]crown-5 Complex","Organometallics","2006","25","15","3537","","10.1021/om060218f","","","0.71073","MoKα","","0.11","0.0664","","","0.1799","0.2006","","","","","","0.954","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075329","14.454","0.0017","17.392","0.002","17.702","0.002","109.676","0.003","108.043","0.003","106.675","0.003","3583.6","0.7","127","2","127","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 B F20 N4 Ti -","- C32 H25 B F20 N4 Ti -","- C128 H100 B4 F80 N16 Ti4 -","4","2","","Aneetha, Halikhedkar; Basuli, Falguni; Bollinger, John; Huffman, John C.; Mindiola, Daniel J.","Ti(NMe2)4and [HNMe2Ph][B(C6F5)4]: A Convenient Blend for Effective Catalytic Carboamination of Alkynes","Organometallics","2006","25","10","2402","","10.1021/om0602207","","","0.71073","MoKα","","0.0575","0.0371","","","0.0922","0.1066","","","","","","1.014","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075330","11.516","0.002","13.155","0.003","16.474","0.003","88.869","0.005","73.304","0.005","86.209","0.005","2385.3","0.8","124","2","124","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 B F20 N5 Ti -","- C44 H44 B F20 N5 Ti -","- C88 H88 B2 F40 N10 Ti2 -","2","1","","Aneetha, Halikhedkar; Basuli, Falguni; Bollinger, John; Huffman, John C.; Mindiola, Daniel J.","Ti(NMe2)4and [HNMe2Ph][B(C6F5)4]: A Convenient Blend for Effective Catalytic Carboamination of Alkynes","Organometallics","2006","25","10","2402","","10.1021/om0602207","","","0.71073","MoKα","","0.1005","0.0474","","","0.0925","0.1061","","","","","","0.86","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075331","11.2101","0.0016","11.3142","0.0016","30.803","0.004","90","","93.101","0.003","90","","3901.1","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 Cl N O P2 Ru -","- C40 H56 Cl N O P2 Ru -","- C160 H224 Cl4 N4 O4 P8 Ru4 -","4","1","","Buil, María L.; Esteruelas, Miguel A.; Goni, Eva; Oliván, Montserrat; Oñate, Enrique","Displacement of Phenyl and Styryl Ligands by Benzophenone Imine and 2-Vinylpyridine on Ruthenium and Osmium","Organometallics","2006","25","12","3076","","10.1021/om060222r","","","0.71073","MoKα","","0.0654","0.0369","","","0.0678","0.071","","","","","","0.898","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075332","9.9565","0.0019","18.275","0.003","17.73","0.003","90","","96.908","0.003","90","","3202.6","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cl N O Os P2 -","- C32 H52 Cl N O Os P2 -","- C128 H208 Cl4 N4 O4 Os4 P8 -","4","1","","Buil, María L.; Esteruelas, Miguel A.; Goni, Eva; Oliván, Montserrat; Oñate, Enrique","Displacement of Phenyl and Styryl Ligands by Benzophenone Imine and 2-Vinylpyridine on Ruthenium and Osmium","Organometallics","2006","25","12","3076","","10.1021/om060222r","","","0.71073","MoKα","","0.0222","0.0188","","","0.0394","0.0399","","","","","","0.991","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075333","19.639","0.004","9.7366","0.0017","20.438","0.004","90","","110.208","0.003","90","","3667.5","1.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35.25 H58 Cl N O P2 Ru -","- C35.25 H55 Cl N O P2 Ru -","- C141 H220 Cl4 N4 O4 P8 Ru4 -","4","2","","Buil, María L.; Esteruelas, Miguel A.; Goni, Eva; Oliván, Montserrat; Oñate, Enrique","Displacement of Phenyl and Styryl Ligands by Benzophenone Imine and 2-Vinylpyridine on Ruthenium and Osmium","Organometallics","2006","25","12","3076","","10.1021/om060222r","","","0.71073","MoKα","","0.0813","0.0579","","","0.1279","0.1368","","","","","","0.995","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075334","15.101","0.003","9.6683","0.0019","16.621","0.003","90","","93.1","0.03","90","","2423.1","0.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ceriumocene","tris-cyclopentadienyl-cerium(III)","","- C15 H15 Ce -","- C15 H15 Ce -","- C120 H120 Ce8 -","8","2","","Baisch, Ulrich; Pagano, Sandro; Zeuner, Martin; Schmedt auf der Günne, Jörn; Oeckler, Oliver; Schnick, Wolfgang","Synthesis, Structure, and Dynamics of Tris(η5-cyclopentadienyl)lanthanides and Bis(η5-cyclopentadienyl)[bis(trimethylsilyl)amido]cerium(III)","Organometallics","2006","25","12","3027","","10.1021/om060226w","","","0.71073","MoKα","","0.1575","0.1069","","","0.318","0.3485","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075335","15.121","0.003","9.6696","0.0019","16.593","0.003","90","","93.04","0.03","90","","2422.7","0.8","293","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ceriumocene","tris-cyclopentadienyl-cerium(III)","","- C15 H15 Ce -","- C15 H15 Ce -","- C120 H120 Ce8 -","8","2","","Baisch, Ulrich; Pagano, Sandro; Zeuner, Martin; Schmedt auf der Günne, Jörn; Oeckler, Oliver; Schnick, Wolfgang","Synthesis, Structure, and Dynamics of Tris(η5-cyclopentadienyl)lanthanides and Bis(η5-cyclopentadienyl)[bis(trimethylsilyl)amido]cerium(III)","Organometallics","2006","25","12","3027","","10.1021/om060226w","","","0.71073","MoKα","","0.1155","0.074","","","0.1871","0.2077","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075336","8.4303","0.0017","14.085","0.003","19.407","0.004","90","","90.02","0.03","90","","2304.4","0.8","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Holmiumocene","tris-cyclopentadienyl-holmium(III)","","- C15 H15 Ho -","- C15 H15 Ho -","- C120 H120 Ho8 -","8","2","","Baisch, Ulrich; Pagano, Sandro; Zeuner, Martin; Schmedt auf der Günne, Jörn; Oeckler, Oliver; Schnick, Wolfgang","Synthesis, Structure, and Dynamics of Tris(η5-cyclopentadienyl)lanthanides and Bis(η5-cyclopentadienyl)[bis(trimethylsilyl)amido]cerium(III)","Organometallics","2006","25","12","3027","","10.1021/om060226w","","","0.71073","MoKα","","0.0294","0.0231","","","0.0415","0.0428","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075337","25.125","0.006","12.386","0.003","27.917","0.006","90","","92.821","0.005","90","","8677","3","135","2","135","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72.78 H124.56 B4 Cl1.56 F16 N5 P6 Pd2 -","- C66.783 H93.566 B4 Cl1.566 F16 N2 P6 Pd2 -","- C267.132 H374.264 B16 Cl6.264 F64 N8 P24 Pd8 -","4","1","","Raebiger, James W.; Turner, Jeffrey W.; Noll, Bruce C.; Curtis, Calvin J.; Miedaner, Alex; Cox, Brian; DuBois, Daniel L.","Electrochemical Reduction of CO2to CO Catalyzed by a Bimetallic Palladium Complex","Organometallics","2006","25","14","3345","","10.1021/om060228g","","","0.71073","MoKα","","0.1292","0.0823","","","0.2134","0.2383","","","","","","1.056","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075338","11.221","0.007","12.706","0.008","13.236","0.008","117.98","0.13","97.6","0.14","105.83","0.14","1526","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H31 Cl3 Ir N4 O Si -","- C24 H31 Cl3 Ir N4 O Si -","- C48 H62 Cl6 Ir2 N8 O2 Si2 -","2","1","","Vicent, Cristian; Viciano, Mónica; Mas-Marzá, Elena; Sanaú, Mercedes; Peris, Eduardo","Electrospray Ionization Mass Spectrometry Studies on the Mechanism of Hydrosilylation of Terminal Alkynes Using an N-Heterocyclic Carbene Complex of Iridium, Allow Detection/Characterization of All Reaction Intermediates⊥","Organometallics","2006","25","15","3713","","10.1021/om0602308","","","0.71073","MoKα","","0.0489","0.038","","","0.0977","0.1071","","","","","","1.104","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075339","10.3548","0.0009","10.57","0.0009","11.0764","0.001","100.971","0.002","92.398","0.002","108.656","0.002","1120.73","0.17","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cl3 Ir N3 -","- C21 H27 Cl3 Ir N3 -","- C42 H54 Cl6 Ir2 N6 -","2","1","","Vicent, Cristian; Viciano, Mónica; Mas-Marzá, Elena; Sanaú, Mercedes; Peris, Eduardo","Electrospray Ionization Mass Spectrometry Studies on the Mechanism of Hydrosilylation of Terminal Alkynes Using an N-Heterocyclic Carbene Complex of Iridium, Allow Detection/Characterization of All Reaction Intermediates⊥","Organometallics","2006","25","15","3713","","10.1021/om0602308","","","0.71073","MoKα","","0.0659","0.0448","","","0.117","0.1332","","","","","","1.11","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075340","17.497","0.005","14.53","0.004","16.851","0.005","90","","104.004","0.005","90","","4157","2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H106 Cl2 O4 P4 Rh2 S2 -","- C90 H106 Cl2 O4 P4 Rh2 S2 -","- C180 H212 Cl4 O8 P8 Rh4 S4 -","2","0.5","","Jeon, You-Moon; Heo, Jungseok; Brown, Aaron M.; Mirkin, Chad A.","Triple-Decker Complexes Formed via the Weak Link Approach.","Organometallics","2006","25","11","2729","2732","10.1021/om0602310","","","0.71073","MoKα","","0.0803","0.0443","","","0.1077","0.1267","","","","","","1.004","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075341","12.6015","0.001","16.0906","0.0013","17.2636","0.0014","110.401","0.001","105.726","0.001","102.03","0.001","2974.8","0.4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C130 H86 B2 F40 O2 P4 Rh2 S2 -","- C130 H86 B2 F40 O2 P4 Rh2 S2 -","- C130 H86 B2 F40 O2 P4 Rh2 S2 -","1","0.5","","Jeon, You-Moon; Heo, Jungseok; Brown, Aaron M.; Mirkin, Chad A.","Triple-Decker Complexes Formed via the Weak Link Approach.","Organometallics","2006","25","11","2729","2732","10.1021/om0602310","","","0.71073","MoKα","","0.0821","0.0501","","","0.1105","0.126","","","","","","0.963","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075342","10.615","0.005","29.5","0.005","19.502","0.005","90","0.005","95.533","0.005","90","0.005","6078","3","153","2","153","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","RuC60Me5Clprophos","","- C92 H41 Cl P2 Ru -","- C92 H41 Cl P2 Ru -","- C368 H164 Cl4 P8 Ru4 -","4","2","","Matsuo, Yutaka; Mitani, Yuichi; Zhong, Yu-Wu; Nakamura, Eiichi","Remote Chirality Transfer within a Coordination Sphere by the Use of a Ligand Possessing a Concave Cavity","Organometallics","2006","25","11","2826","2832","10.1021/om060234c","","x-ray","0.71069","MoKα","","0.0847","0.0776","","","0.2109","0.2228","","","","","","1.038","","","","has coordinates","209802","2020-10-21","18:00:00",""
"4075343","10.586","0.0003","26.756","0.0013","21.893","0.0009","90","","94.366","0.003","90","","6183","0.4","153","2","153","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C99 H49 Br P2 Ru -","- C99 H49 Br P2 Ru -","- C396 H196 Br4 P8 Ru4 -","4","2","","Matsuo, Yutaka; Mitani, Yuichi; Zhong, Yu-Wu; Nakamura, Eiichi","Remote Chirality Transfer within a Coordination Sphere by the Use of a Ligand Possessing a Concave Cavity","Organometallics","2006","25","11","2826","2832","10.1021/om060234c","","x-ray","0.71073","MoKα","","0.062","0.057","","","0.1461","0.1517","","","","","","1.039","","","","has coordinates","209802","2020-10-21","18:00:00",""
"4075344","12.919","0.0009","23.937","0.0018","17.951","0.0009","90","","99.741","0.004","90","","5471.2","0.6","153","2","153","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","RuC60Me5Cldppe","","- C91 H39 Cl P2 Ru -","- C91 H39 Cl P2 Ru -","- C364 H156 Cl4 P8 Ru4 -","4","1","","Matsuo, Yutaka; Mitani, Yuichi; Zhong, Yu-Wu; Nakamura, Eiichi","Remote Chirality Transfer within a Coordination Sphere by the Use of a Ligand Possessing a Concave Cavity","Organometallics","2006","25","11","2826","","10.1021/om060234c","","x-ray","0.71073","MoKα","","0.0808","0.0714","","","0.1865","0.1979","","","","","","1.061","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075345","7.0881","0.0006","15.1536","0.0013","17.1405","0.0015","65.152","0.002","88.468","0.002","84.486","0.002","1662.7","0.2","178","2","178","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H37 Fe N3 Pt Si2 -","- C34 H37 Fe N3 Pt Si2 -","- C68 H74 Fe2 N6 Pt2 Si4 -","2","1","","Packheiser, Rico; Walfort, Bernhard; Lang, Heinrich","Heterobi- and Heterotrimetallic Transition Metal Complexes with Carbon-Rich Bridging Units","Organometallics","2006","25","19","4579","","10.1021/om0602355","","","0.71073","MoKα","","0.0643","0.0611","","","0.1598","0.1628","","","","","","1.118","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075346","18.6503","0.001","16.8592","0.0009","19.1245","0.001","90","","116.716","0.001","90","","5371.4","0.5","298","2","298","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Cu F6 Fe N2 P Si4 Ti -","- C48 H60 Cu F6 Fe N2 P Si4 Ti -","- C192 H240 Cu4 F24 Fe4 N8 P4 Si16 Ti4 -","4","1","","Packheiser, Rico; Walfort, Bernhard; Lang, Heinrich","Heterobi- and Heterotrimetallic Transition Metal Complexes with Carbon-Rich Bridging Units","Organometallics","2006","25","19","4579","","10.1021/om0602355","","","0.71073","MoKα","","0.1308","0.0641","","","0.1424","0.1715","","","","","","1.011","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075347","23.915","0.002","6.8674","0.0006","10.0743","0.0009","90","","90","","90","","1654.5","0.2","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 Fe N2 -","- C22 H16 Fe N2 -","- C88 H64 Fe4 N8 -","4","1","","Packheiser, Rico; Walfort, Bernhard; Lang, Heinrich","Heterobi- and Heterotrimetallic Transition Metal Complexes with Carbon-Rich Bridging Units","Organometallics","2006","25","19","4579","","10.1021/om0602355","","","0.71073","MoKα","","0.0677","0.0396","","","0.082","0.0918","","","","","","1.031","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075348","8.609","0.003","19.667","0.006","13.705","0.003","90","","90.257","0.003","90","","2320.4","1.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Fe2 O6.25 S Se -","- C15 H11 Fe2 O6.25 S Se -","- C60 H44 Fe8 O25 S4 Se4 -","4","1","","Song, Li-Cheng; Zeng, Guang-Huai; Mei, Shu-Zhen; Lou, Shao-Xia; Hu, Qing-Mei","Synthetic and Structural Investigations on Double- and Single-Butterfly Fe/E (E = S, Se) Cluster Complexes Containing Diselenolate Ligands","Organometallics","2006","25","14","3468","","10.1021/om060238h","","","0.71073","MoKα","","0.1238","0.062","","","0.1887","0.2204","","","","","","1.109","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075349","10.707","0.007","11.391","0.007","13.432","0.009","96.136","0.012","97.556","0.01","115.678","0.01","1438.8","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Fe2 O6 S2 Se2 -","- C24 H20 Fe2 O6 S2 Se2 -","- C48 H40 Fe4 O12 S4 Se4 -","2","1","","Song, Li-Cheng; Zeng, Guang-Huai; Mei, Shu-Zhen; Lou, Shao-Xia; Hu, Qing-Mei","Synthetic and Structural Investigations on Double- and Single-Butterfly Fe/E (E = S, Se) Cluster Complexes Containing Diselenolate Ligands","Organometallics","2006","25","14","3468","","10.1021/om060238h","","","0.71073","MoKα","","0.0952","0.0507","","","0.11","0.128","","","","","","1.009","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075350","15.4164","0.0009","13.1723","0.0007","21.0485","0.0004","90","","90","","90","","4274.3","0.3","193.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H31 N O3 Ru -","- C27 H31 N O3 Ru -","- C216 H248 N8 O24 Ru8 -","8","1","","Ura, Yasuyuki; Utsumi, Taka-aki; Tsujita, Hiroshi; Wada, Kenji; Kondo, Teruyuki; Mitsudo, Take-aki","Formation of Divalent Ruthenacycles via Oxidative Cyclization of 1,3,5-Cyclooctatriene with Maleic Anhydride or Maleimides: An Intermediate for the Transition Metal-Mediated [6 + 2] Cycloaddition of 1,3,5-Trienes and Alkenes","Organometallics","2006","25","12","2934","","10.1021/om060242t","","","0.71069","MoKα","","","0.0442","","","","0.1126","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075351","10.4811","0.0013","15.523","0.003","24.0006","0.0012","90.466","0.007","91.225","0.003","93.021","0.008","3898.4","0.9","143.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H43 Cl2 N O2 P2 Ru -","- C45 H43 Cl2 N O2 P2 Ru -","- C180 H172 Cl8 N4 O8 P8 Ru4 -","4","2","","Ura, Yasuyuki; Utsumi, Taka-aki; Tsujita, Hiroshi; Wada, Kenji; Kondo, Teruyuki; Mitsudo, Take-aki","Formation of Divalent Ruthenacycles via Oxidative Cyclization of 1,3,5-Cyclooctatriene with Maleic Anhydride or Maleimides: An Intermediate for the Transition Metal-Mediated [6 + 2] Cycloaddition of 1,3,5-Trienes and Alkenes","Organometallics","2006","25","12","2934","","10.1021/om060242t","","","0.71069","MoKα","","","0.0732","","","","0.1499","","","","","","0.978","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075352","8.017","0.002","21.124","0.006","15.011","0.004","90","","98.755","0.005","90","","2512.5","1.2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 F2 Ir O -","- C12 H15 F2 Ir O -","- C96 H120 F16 Ir8 O8 -","8","2","","Bourgeois, Cheryl J.; Hughes, Russell P.; Yuan, Jian; DiPasquale, Antonio G.; Rheingold, Arnold L.","α- and β-Fluorine Elimination Reactions Induced by Reduction of Iridium−Fluoroalkyl Complexes. Selective Formation of Fluoroalkylidene and Hydrofluoroalkene Ligands","Organometallics","2006","25","12","2908","","10.1021/om060243l","","","0.71073","MoKα","","0.0557","0.0422","","","0.1011","0.1072","","","","","","1.036","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075353","8.303","0.0014","8.76","0.0015","11.424","0.002","81.286","0.002","88.961","0.002","75.301","0.002","794.3","0.2","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 F6 Ir O -","- C14 H15 F6 Ir O -","- C28 H30 F12 Ir2 O2 -","2","1","","Bourgeois, Cheryl J.; Hughes, Russell P.; Yuan, Jian; DiPasquale, Antonio G.; Rheingold, Arnold L.","α- and β-Fluorine Elimination Reactions Induced by Reduction of Iridium−Fluoroalkyl Complexes. Selective Formation of Fluoroalkylidene and Hydrofluoroalkene Ligands","Organometallics","2006","25","12","2908","","10.1021/om060243l","","","0.71073","MoKα","","0.0543","0.0516","","","0.1294","0.1315","","","","","","1.128","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075354","7.299","0.004","11.283","0.006","8.262","0.005","90","","103.519","0.008","90","","661.6","0.6","213","2","213","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H17 F2 Ir O -","- C13 H14 F2 Ir O -","- C26 H28 F4 Ir2 O2 -","2","0.5","","Bourgeois, Cheryl J.; Hughes, Russell P.; Yuan, Jian; DiPasquale, Antonio G.; Rheingold, Arnold L.","α- and β-Fluorine Elimination Reactions Induced by Reduction of Iridium−Fluoroalkyl Complexes. Selective Formation of Fluoroalkylidene and Hydrofluoroalkene Ligands","Organometallics","2006","25","12","2908","","10.1021/om060243l","","","0.71073","MoKα","","0.023","0.0224","","","0.0592","0.0596","","","","","","1.029","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075355","12.4487","0.0006","12.4523","0.0006","14.9992","0.0007","106.758","0.001","90.62","0.001","106.356","0.001","2125.52","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","(BDPPthf)Y(AlMe4)(AlMe3) toluene solvate","","","- C40.5 H69 Al2 N2 O Y -","- C40.51 H69.02 Al2 N2 O Y -","- C81.02 H138.04 Al4 N4 O2 Y2 -","2","1","","Zimmermann, Melanie; Törnroos, Karl W.; Anwander, Reiner","Implementation of Ln(AlMe4)3as Precursors in Postlanthanidocene Chemistry","Organometallics","2006","25","15","3593","","10.1021/om060244d","","","0.71073","MoKα","","0.0447","0.0344","","","0.09","0.0955","","","","","","1.039","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075356","9.5128","0.0007","10.8146","0.0008","40.644","0.003","90","","93.035","0.001","90","","4175.5","0.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(BDPPthf)La(AlMe4)(AlMe3)","","","- C37 H65 Al2 La N2 O -","- C37 H65 Al2 La N2 O -","- C148 H260 Al8 La4 N8 O4 -","4","1","","Zimmermann, Melanie; Törnroos, Karl W.; Anwander, Reiner","Implementation of Ln(AlMe4)3as Precursors in Postlanthanidocene Chemistry","Organometallics","2006","25","15","3593","","10.1021/om060244d","","","0.71073","MoKα","","0.0373","0.0297","","","0.0672","0.0691","","","","","","1.075","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075357","11.6241","0.0003","13.5892","0.0004","21.9393","0.0004","82.34","0.002","81.252","0.002","67.19","0.003","3146.87","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H76 Au2 F6 N6 O10 P4 S2 -","- C54 H76 Au2 F6 N6 O10 P4 S2 -","- C108 H152 Au4 F12 N12 O20 P8 S4 -","2","1","","Mohr, Fabian; Sanz, Sergio; Tiekink, Edward R. T.; Laguna, Mariano","Water-Soluble and Water-Stable Organometallic Gold(II) Complexes","Organometallics","2006","25","12","3084","","10.1021/om0602456","","","0.71073","MoKα","","0.094","0.057","","","0.148","0.166","","","","","","1.07","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075358","9.1207","0.0003","27.7759","0.0009","10.5276","0.0005","90","","110.201","0.001","90","","2502.96","0.17","296.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H41 B N2 O P2 Pd -","- C19 H41 B N2 O P2 Pd -","- C76 H164 B4 N8 O4 P8 Pd4 -","4","1","","Suginome, Michinori; Yamamoto, Akihiko; Sasaki, Taisuke; Murakami, Masahiro","Reactions of Cyanoboranes with a Palladium−PMe3Complex: Mechanism for the Catalytic Cyanoboration of Alkynes","Organometallics","2006","25","12","2911","","10.1021/om060246y","","","0.7107","MoKα","","","0.0275","","","","0.0659","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075359","10.5914","0.0005","13.1936","0.0006","22.4714","0.001","90","","90","","90","","3140.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 B10 N Ru -","- C29 H35 B10 N Ru -","- C116 H140 B40 N4 Ru4 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NH2Prn)2with Alkynes. Synthesis and Structural Characterization of Ruthenium Aminocarbene and Enamine Complexes","Organometallics","2006","25","14","3447","","10.1021/om060249a","","","0.71073","MoKα","","0.0651","0.0494","","","0.1193","0.1333","","","","","","1.062","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075360","10.541","0.002","20.906","0.004","16.959","0.003","90","","104.12","0.03","90","","3624.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H49 B10 N Ru -","- C36 H42 B10 N Ru -","- C144 H168 B40 N4 Ru4 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NH2Prn)2with Alkynes. Synthesis and Structural Characterization of Ruthenium Aminocarbene and Enamine Complexes","Organometallics","2006","25","14","3447","","10.1021/om060249a","","","0.71073","MoKα","","0.0832","0.0709","","","0.1899","0.1992","","","","","","1.164","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075361","10.743","0.002","12.86","0.003","24.952","0.005","90","","99.85","0.03","90","","3396.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H45 B10 N Ru -","- C31 H45 B10 N Ru -","- C124 H180 B40 N4 Ru4 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NH2Prn)2with Alkynes. Synthesis and Structural Characterization of Ruthenium Aminocarbene and Enamine Complexes","Organometallics","2006","25","14","3447","","10.1021/om060249a","","","0.71073","MoKα","","0.0625","0.0571","","","0.1585","0.1638","","","","","","1.124","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075362","10.486","0.002","14.769","0.003","14.983","0.003","67.5","0.03","86.25","0.03","75.3","0.03","2072.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H39 B10 Cl2 N Ru -","- C29 H39 B10 Cl2 N Ru -","- C58 H78 B20 Cl4 N2 Ru2 -","2","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NH2Prn)2with Alkynes. Synthesis and Structural Characterization of Ruthenium Aminocarbene and Enamine Complexes","Organometallics","2006","25","14","3447","","10.1021/om060249a","","","0.71073","MoKα","","0.0803","0.078","","","0.2458","0.2495","","","","","","1.16","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075363","10.52","0.002","12.986","0.003","15.644","0.003","112.14","0.03","95.12","0.03","92.37","0.03","1965.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H47 B10 Br2 N Ru -","- C36 H47 B10 Br2 N Ru -","- C72 H94 B20 Br4 N2 Ru2 -","2","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NH2Prn)2with Alkynes. Synthesis and Structural Characterization of Ruthenium Aminocarbene and Enamine Complexes","Organometallics","2006","25","14","3447","","10.1021/om060249a","","","0.71073","MoKα","","0.0686","0.0649","","","0.1766","0.182","","","","","","1.051","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075364","6.254","0.005","8.277","0.005","13.294","0.005","83.973","0.005","85.47","0.005","89.826","0.005","682.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl3 Fe0.5 N2 -","- C14 H10 Cl3 Fe0.5 N2 -","- C28 H20 Cl6 Fe N4 -","2","1","","Sadhukhan, Nabanita; Patra, Sanjib K.; Sana, Kasinath; Bera, Jitendra K.","Novel Heterobimetallic Metallamacrocycles Based on the 1,1‘-Bis(1,8-naphthyrid-2-yl)ferrocene (FcNP2) Ligand: Structural Characterization of the Complexes [{M(FcNP2)}2]2+(M = CuI, AgI) and {MCl2(FcNP2)}4(M = ZnII, CoII)","Organometallics","2006","25","12","2914","","10.1021/om060252u","","","0.71069","MoKα","","0.0399","0.0354","","","0.0857","0.0883","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075365","7.5414","0.0015","13.316","0.003","14.109","0.003","93.81","0.03","95.46","0.03","93.56","0.03","1404","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H48 Cl2 Cu2 Fe2 N12 O16 -","- C56 H48 Cl2 Cu2 Fe2 N12 O16 -","- C56 H48 Cl2 Cu2 Fe2 N12 O16 -","1","0.5","","Sadhukhan, Nabanita; Patra, Sanjib K.; Sana, Kasinath; Bera, Jitendra K.","Novel Heterobimetallic Metallamacrocycles Based on the 1,1‘-Bis(1,8-naphthyrid-2-yl)ferrocene (FcNP2) Ligand: Structural Characterization of the Complexes [{M(FcNP2)}2]2+(M = CuI, AgI) and {MCl2(FcNP2)}4(M = ZnII, CoII)","Organometallics","2006","25","12","2914","","10.1021/om060252u","","","0.71073","MoKα","","0.0824","0.0526","","","0.1127","0.125","","","","","","0.971","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075366","16.9157","0.0013","7.326","0.0006","21.3936","0.0018","90","","95.01","0.002","90","","2641.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 Ag2 F6 Fe2 N10 O10 S2 -","- C56 H42 Ag2 F6 Fe2 N10 O10 S2 -","- C112 H84 Ag4 F12 Fe4 N20 O20 S4 -","2","0.5","","Sadhukhan, Nabanita; Patra, Sanjib K.; Sana, Kasinath; Bera, Jitendra K.","Novel Heterobimetallic Metallamacrocycles Based on the 1,1‘-Bis(1,8-naphthyrid-2-yl)ferrocene (FcNP2) Ligand: Structural Characterization of the Complexes [{M(FcNP2)}2]2+(M = CuI, AgI) and {MCl2(FcNP2)}4(M = ZnII, CoII)","Organometallics","2006","25","12","2914","","10.1021/om060252u","","","0.71073","MoKα","","0.108","0.0594","","","0.121","0.1419","","","","","","1.015","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075367","21.268","0.005","21.268","0.005","11.459","0.005","90","","90","","90","","5183","3","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C112 H84 Cl8 Fe4 N20 Zn4 -","- C112 H84 Cl8 Fe4 N20 Zn4 -","- C224 H168 Cl16 Fe8 N40 Zn8 -","2","0.25","","Sadhukhan, Nabanita; Patra, Sanjib K.; Sana, Kasinath; Bera, Jitendra K.","Novel Heterobimetallic Metallamacrocycles Based on the 1,1‘-Bis(1,8-naphthyrid-2-yl)ferrocene (FcNP2) Ligand: Structural Characterization of the Complexes [{M(FcNP2)}2]2+(M = CuI, AgI) and {MCl2(FcNP2)}4(M = ZnII, CoII)","Organometallics","2006","25","12","2914","","10.1021/om060252u","","","0.71069","MoKα","","0.0713","0.0542","","","0.1037","0.1181","","","","","","1.092","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075368","10.06","0.002","12.41","0.001","13.713","0.005","90","","105.13","0.02","90","","1652.6","0.7","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 Cl2 O3 Ta -","- C14 H23 Cl2 O3 Ta -","- C56 H92 Cl8 O12 Ta4 -","4","1","","Bo, Carles; Fandos, Rosa; Feliz, Marta; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Pastor, César","facversusmerCoordination for a Tridentate Diethylene Glyclolate Ligand in Tantalum Complexes: A Combined Experimental and Theoretical Study","Organometallics","2006","25","14","3336","","10.1021/om060254e","","","0.71073","MoKα","","0.0573","0.0231","","","0.0474","0.0564","","","","","","1.004","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075369","9.423","0.0001","11.2053","0.0001","16.655","0.0001","75.192","0.001","73.809","0.001","78.027","0.001","1615.06","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 B F15 O4 Ta -","- C32 H23 B F15 O4 Ta -","- C64 H46 B2 F30 O8 Ta2 -","2","1","","Bo, Carles; Fandos, Rosa; Feliz, Marta; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Pastor, César","facversusmerCoordination for a Tridentate Diethylene Glyclolate Ligand in Tantalum Complexes: A Combined Experimental and Theoretical Study","Organometallics","2006","25","14","3336","","10.1021/om060254e","","","1.54178","CuKα","","0.0284","0.0265","","","0.0669","0.068","","","","","","1.045","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075370","10.414","0.002","25.139","0.004","12.841","0.007","90","","94.36","0.03","90","","3352","2","290","2","290","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 F6 N O10 S2 Ta -","- C26 H38 F6 N O10 S2 Ta -","- C104 H152 F24 N4 O40 S8 Ta4 -","4","1","","Bo, Carles; Fandos, Rosa; Feliz, Marta; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Pastor, César","facversusmerCoordination for a Tridentate Diethylene Glyclolate Ligand in Tantalum Complexes: A Combined Experimental and Theoretical Study","Organometallics","2006","25","14","3336","","10.1021/om060254e","","","0.71073","MoKα","","0.1734","0.0606","","","0.116","0.1449","","","","","","0.998","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075371","14.9444","0.0002","11.6289","0.0002","19.7745","0.0003","90","","90","","90","","3436.55","0.09","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H31 Br O2 P2 Pd -","- C42 H31 Br O2 P2 Pd -","- C168 H124 Br4 O8 P8 Pd4 -","4","0.5","","Ma, Liqing; Woloszynek, Robert A.; Chen, Weizhong; Ren, Tong; Protasiewicz, John D.","A New Twist on Pincer Ligands and Complexes","Organometallics","2006","25","14","3301","","10.1021/om060256z","","","0.71073","MoKα","","0.0677","0.0362","","","0.0774","0.0885","","","","","","1.018","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075372","16.172","0.0007","14.2258","0.0007","16.1442","0.0008","90","","104.392","0.001","90","","3597.6","0.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H35 Br P2 Pd -","- C44 H35 Br P2 Pd -","- C176 H140 Br4 P8 Pd4 -","4","0.5","","Ma, Liqing; Woloszynek, Robert A.; Chen, Weizhong; Ren, Tong; Protasiewicz, John D.","A New Twist on Pincer Ligands and Complexes","Organometallics","2006","25","14","3301","","10.1021/om060256z","","","0.71073","MoKα","","0.0379","0.0301","","","0.083","0.0859","","","","","","1.032","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075373","12.6003","0.001","15.4046","0.0012","16.4304","0.0013","90","","90","","90","","3189.2","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 B Cl2 F15 Ta -","- C32 H21 B Cl2 F15 Ta -","- C128 H84 B4 Cl8 F60 Ta4 -","4","1","","Mariott, Wesley R.; Gustafson, Laura O.; Chen, Eugene Y.-X.","Activation of Tantalocene(V) Alkyl and Alkylidene Complexes with Strong Organo Lewis Acids and Application to Polymerization Catalysis","Organometallics","2006","25","15","3721","","10.1021/om060258j","","","0.71073","MoKα","","0.028","0.0236","","","0.0495","0.0509","","","","","","1.022","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075374","19.9908","0.0011","16.7232","0.0009","20.0723","0.0011","90","","90","","90","","6710.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H23 Al F15 Ta -","- C37 H23 Al F15 Ta -","- C296 H184 Al8 F120 Ta8 -","8","1","","Mariott, Wesley R.; Gustafson, Laura O.; Chen, Eugene Y.-X.","Activation of Tantalocene(V) Alkyl and Alkylidene Complexes with Strong Organo Lewis Acids and Application to Polymerization Catalysis","Organometallics","2006","25","15","3721","","10.1021/om060258j","","","0.71073","MoKα","","0.0398","0.0251","","","0.0587","0.0679","","","","","","1.059","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075375","12.2991","0.001","14.0265","0.0011","16.5511","0.0013","87.396","0.002","78.183","0.002","68.632","0.002","2601.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H19 Al2 Cl4 F30 Ta -","- C50 H19 Al2 Cl4 F30 Ta -","- C100 H38 Al4 Cl8 F60 Ta2 -","2","1","","Mariott, Wesley R.; Gustafson, Laura O.; Chen, Eugene Y.-X.","Activation of Tantalocene(V) Alkyl and Alkylidene Complexes with Strong Organo Lewis Acids and Application to Polymerization Catalysis","Organometallics","2006","25","15","3721","","10.1021/om060258j","","","0.71073","MoKα","","0.0408","0.0337","","","0.0928","0.0972","","","","","","1.011","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075376","18.4562","0.0014","5.0962","0.0002","19.1459","0.0016","90","","91.022","0.009","90","","1800.5","0.2","153","2","153","2","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- C29 H18 -","- C29 H18 -","- C116 H72 -","4","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0465","0.0326","","","0.0794","0.0836","","","","","","0.947","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075377","12.8899","0.0011","17.0343","0.0013","18.0571","0.0013","106.81","0.008","96.169","0.009","105.422","0.009","3585","0.6","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H49 Li O4 -","- C45 H49 Li O4 -","- C180 H196 Li4 O16 -","4","2","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.1059","0.0463","","","0.091","0.1054","","","","","","0.815","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075378","12.2073","0.0006","13.4821","0.0007","23.8558","0.0014","75.144","0.006","76.299","0.006","82.717","0.006","3677.8","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H49.5 Li O6.5 -","- C42 H49.5 Li O6.5 -","- C168 H198 Li4 O26 -","4","2","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0676","0.0383","","","0.0826","0.0906","","","","","","0.876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075379","13.8807","0.0008","20.0576","0.0008","14.8992","0.001","90","","110.98","0.007","90","","3873.1","0.4","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C59 H36 Cl2 -","- C59 H36 Cl2 -","- C236 H144 Cl8 -","4","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0668","0.0364","","","0.0763","0.0835","","","","","","0.872","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075380","16.4719","0.0008","17.0792","0.0007","22.1152","0.0014","90","","90","","90","","6221.6","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H38 O3 Ti -","- C38 H38 O3 Ti -","- C304 H304 O24 Ti8 -","8","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0779","0.0472","","","0.1193","0.1306","","","","","","0.952","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075381","12.9702","0.0006","10.6352","0.0007","18.6582","0.0009","90","","93.63","0.006","90","","2568.6","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cl2 O Ti -","- C32 H24 Cl2 O Ti -","- C128 H96 Cl8 O4 Ti4 -","4","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0517","0.0321","","","0.0742","0.0796","","","","","","0.922","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075382","11.975","0.0004","23.7536","0.0007","8.4337","0.0002","90","","92.273","0.003","90","","2397.07","0.12","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 Cl2 O8 Ti2 -","- C50 H58 Cl2 O8 Ti2 -","- C100 H116 Cl4 O16 Ti4 -","2","0.5","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0369","0.0298","","","0.0822","0.0847","","","","","","1.039","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075383","14.2737","0.0009","15.7569","0.0008","15.202","0.0008","90","","99.529","0.007","90","","3371.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 O3 Ti -","- C47 H32 O3 Ti -","- C188 H128 O12 Ti4 -","4","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.1121","0.0399","","","0.0608","0.0732","","","","","","0.746","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075384","10.0203","0.0005","13.5219","0.0008","14.6028","0.0008","87.455","0.007","75.017","0.006","77.62","0.006","1866.75","0.19","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H38 O3 Ti -","- C50 H38 O3 Ti -","- C100 H76 O6 Ti2 -","2","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0646","0.0363","","","0.0758","0.0823","","","","","","0.861","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075385","10.5672","0.0008","13.42","0.001","15.033","0.001","64.923","0.001","73.314","0.001","73.363","0.001","1816","0.2","100","1","100","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C36 H45 La O3 -","- C36 H45 La O3 -","- C72 H90 La2 O6 -","2","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.0251","0.0236","","","0.0657","0.0664","","","","","","1.116","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075386","19.961","0.002","15.566","0.001","26.987","0.002","90","","90","","90","","8385.2","1.2","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C49 H61 La N2 O -","- C49 H61 La N2 O -","- C392 H488 La8 N16 O8 -","8","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.0826","0.0423","","","0.0903","0.1077","","","","","","1.025","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075387","13.599","0.001","13.605","0.001","15.016","0.001","71.147","0.001","89.847","0.001","67.519","0.001","2406","0.3","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C52 H76 La Li O5 -","- C52 H76 La Li O5 -","- C104 H152 La2 Li2 O10 -","2","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.0372","0.032","","","0.0769","0.079","","","","","","1.025","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075388","18.3872","0.0009","18.3346","0.0009","27.242","0.001","90","","90","","90","","9183.9","0.7","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C54 H66 B La O4 -","- C54 H66 B La O4 -","- C432 H528 B8 La8 O32 -","8","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.0604","0.0365","","","0.0775","0.0859","","","","","","1.016","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075389","13.9488","0.0008","15.7315","0.0009","17.528","0.001","106.521","0.001","96.67","0.001","98.939","0.001","3590.1","0.4","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C84 H105 B2 La O7 -","- C84 H105 B2 La O7 -","- C168 H210 B4 La2 O14 -","2","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.049","0.0425","","","0.1049","0.1085","","","","","","1.073","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075390","14.092","0.001","10.443","0.001","20.773","0.002","90","","100.879","0.002","90","","3002.1","0.5","100","1","100","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 La O3 -","- C33 H45 La O3 -","- C132 H180 La4 O12 -","4","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.0337","0.029","","","0.0696","0.0716","","","","","","1.043","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075391","9.248","0.003","11.433","0.003","14.689","0.004","104.22","0.005","102.548","0.005","94.062","0.005","1456.8","0.7","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Fe2 N2 O14 -","- C30 H16 Fe2 N2 O14 -","- C60 H32 Fe4 N4 O28 -","2","1","","Byers, Jeffrey H.; Sontum, Stephen F.; Dimitrova, Tina S.; Huque, Sumaya; Zegarelli, Benjamin M.; Zhang, Yong; Jasinski, Jerry P.; Butcher, Raymond J.","Generation and Trapping of Radicals Derived from Cyclobutadieneiron Tricarbonyl","Organometallics","2006","25","15","3787","","10.1021/om060263n","","","0.71073","MoKα","","0.09","0.0492","","","0.1036","0.1193","","","","","","1.012","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075392","8.6818","0.0003","13.6267","0.0003","14.9759","0.0004","90","","92.3894","0.0014","90","","1770.17","0.09","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Cl3 O2 Ta -","- C15 H24 Cl3 O2 Ta -","- C60 H96 Cl12 O8 Ta4 -","4","1","","Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi","Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes","Organometallics","2006","25","13","3179","","10.1021/om060264f","","","0.71075","MoKα","","0.0152","0.0132","","","0.0276","0.028","","","","","","1.11","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075393","25.7248","0.002","21.1152","0.0017","8.6368","0.0008","90","","90","","90","","4691.4","0.7","120","1","120","1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H26 Cl3 O2 Ta -","- C16 H26 Cl3 O2 Ta -","- C128 H208 Cl24 O16 Ta8 -","8","1","","Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi","Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes","Organometallics","2006","25","13","3179","","10.1021/om060264f","","","0.71075","MoKα","","0.1383","0.0679","","","0.1602","0.1843","","","","","","1.033","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075394","9.436","0.004","11.148","0.004","20.172","0.008","76.47","0.03","76.69","0.03","80.3","0.03","1992.8","1.4","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H51 Cl3 N3 O2 Ta -","- C42 H51 Cl3 N3 O2 Ta -","- C84 H102 Cl6 N6 O4 Ta2 -","2","1","","Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi","Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes","Organometallics","2006","25","13","3179","","10.1021/om060264f","","","0.71075","MoKα","","0.0523","0.036","","","0.0607","0.0634","","","","","","0.956","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075395","11.6461","0.001","30.716","0.003","14.1092","0.0008","90","","109.847","0.003","90","","4747.4","0.7","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 Al F15 N2 O4 Ta -","- C49 H39 Al F15 N2 O4 Ta -","- C196 H156 Al4 F60 N8 O16 Ta4 -","4","1","","Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi","Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes","Organometallics","2006","25","13","3179","","10.1021/om060264f","","","0.71075","MoKα","","0.0268","0.0229","","","0.0792","0.0833","","","","","","0.725","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075396","15.3023","0.0019","12.3796","0.0015","19.488","0.003","90","","93.025","0.006","90","","3686.6","0.9","120","1","120","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H44 Cl3 N3 O2 W -","- C38 H36 Cl3 N3 O2 W -","- C152 H144 Cl12 N12 O8 W4 -","4","1","","Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi","Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes","Organometallics","2006","25","13","3179","","10.1021/om060264f","","","0.71075","MoKα","","0.0472","0.0353","","","0.1058","0.1125","","","","","","0.848","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075397","8.6376","0.0004","14.5419","0.0006","16.7255","0.0007","90","","104.303","0.001","90","","2035.72","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 F7 Ir P -","- C17 H27 F7 Ir P -","- C68 H108 F28 Ir4 P4 -","4","1","","Bourgeois, Cheryl J.; Garratt, Shaun A.; Hughes, Russell P.; Larichev, Roman B.; Smith, Jeremy M.; Ward, Antony J.; Willemsen, Stefan; Zhang, Donghui; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Synthesis and Structural Characterization of (Perfluoroalkyl)fluoroiridium(III) and (Perfluoroalkyl)methyliridium(III) Compounds","Organometallics","2006","25","14","3474","","10.1021/om060267s","","","0.71073","MoKα","","0.0333","0.0304","","","0.0804","0.0819","","","","","","1.065","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075398","8.739","0.004","28.391","0.012","8.802","0.004","90","","117.028","0.005","90","","1945.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 F5 Ir P -","- C16 H27 F5 Ir P -","- C64 H108 F20 Ir4 P4 -","4","1","","Bourgeois, Cheryl J.; Garratt, Shaun A.; Hughes, Russell P.; Larichev, Roman B.; Smith, Jeremy M.; Ward, Antony J.; Willemsen, Stefan; Zhang, Donghui; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Synthesis and Structural Characterization of (Perfluoroalkyl)fluoroiridium(III) and (Perfluoroalkyl)methyliridium(III) Compounds","Organometallics","2006","25","14","3474","","10.1021/om060267s","","","0.71073","MoKα","","0.0388","0.0347","","","0.0848","0.0874","","","","","","1.076","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075399","9.154","0.0007","13.0719","0.0009","16.7223","0.0012","90","","103.899","0.001","90","","1942.4","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 F8 Ir P -","- C16 H24 F8 Ir P -","- C64 H96 F32 Ir4 P4 -","4","1","","Bourgeois, Cheryl J.; Garratt, Shaun A.; Hughes, Russell P.; Larichev, Roman B.; Smith, Jeremy M.; Ward, Antony J.; Willemsen, Stefan; Zhang, Donghui; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Synthesis and Structural Characterization of (Perfluoroalkyl)fluoroiridium(III) and (Perfluoroalkyl)methyliridium(III) Compounds","Organometallics","2006","25","14","3474","","10.1021/om060267s","","","0.71073","MoKα","","0.0292","0.0277","","","0.0681","0.0689","","","","","","1.087","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075400","9.0365","0.0019","17.816","0.004","22.964","0.005","90","","95.502","0.003","90","","3680","1.4","218","2","218","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 F6 Ir P -","- C15 H24 F6 Ir P -","- C120 H192 F48 Ir8 P8 -","8","2","","Bourgeois, Cheryl J.; Garratt, Shaun A.; Hughes, Russell P.; Larichev, Roman B.; Smith, Jeremy M.; Ward, Antony J.; Willemsen, Stefan; Zhang, Donghui; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Synthesis and Structural Characterization of (Perfluoroalkyl)fluoroiridium(III) and (Perfluoroalkyl)methyliridium(III) Compounds","Organometallics","2006","25","14","3474","","10.1021/om060267s","","","0.71073","MoKα","","0.0562","0.0372","","","0.0865","0.0937","","","","","","1.001","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075401","8.627","0.008","16.639","0.016","13.636","0.013","90","","104.583","0.012","90","","1894","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","rph356","rph356","","- C16 H24 F8 Ir P -","- C16 H24 F8 Ir P -","- C64 H96 F32 Ir4 P4 -","4","1","","Bourgeois, Cheryl J.; Garratt, Shaun A.; Hughes, Russell P.; Larichev, Roman B.; Smith, Jeremy M.; Ward, Antony J.; Willemsen, Stefan; Zhang, Donghui; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Synthesis and Structural Characterization of (Perfluoroalkyl)fluoroiridium(III) and (Perfluoroalkyl)methyliridium(III) Compounds","Organometallics","2006","25","14","3474","","10.1021/om060267s","","","0.71073","MoKα","","0.0354","0.0299","","","0.0663","0.0676","","","","","","0.947","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075402","15.956","0.003","11.396","0.002","16.968","0.004","90","","108.887","0.003","90","","2919.2","1","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl O3 Si2 Y -","- C20 H46 B4 Cl O3 Si2 Y -","- C80 H184 B16 Cl4 O12 Si8 Y4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0864","0.0704","","","0.1324","0.1364","","","","","","1.322","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075403","15.924","0.003","11.54","0.002","17.016","0.003","90","","109.25","0.003","90","","2952.1","0.9","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl Nd O3 Si2 -","- C20 H46 B4 Cl Nd O3 Si2 -","- C80 H184 B16 Cl4 Nd4 O12 Si8 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0779","0.0768","","","0.147","0.1474","","","","","","1.65","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075404","15.848","0.003","11.644","0.002","16.909","0.003","90","","108.869","0.003","90","","2952.6","0.9","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Br O3 Si2 Sm -","- C20 H46 B4 Br O3 Si2 Sm -","- C80 H184 B16 Br4 O12 Si8 Sm4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0974","0.0955","","","0.1902","0.1909","","","","","","1.539","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075405","15.946","0.004","11.442","0.003","16.99","0.004","90","","108.977","0.004","90","","2931.4","1.3","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl Gd O3 Si2 -","- C20 H46 B4 Cl Gd O3 Si2 -","- C80 H184 B16 Cl4 Gd4 O12 Si8 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0429","0.0418","","","0.0857","0.0861","","","","","","1.523","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075406","15.966","0.003","11.432","0.002","17.002","0.004","90","","108.972","0.003","90","","2934.7","1","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl O3 Si2 Tb -","- C20 H46 B4 Cl O3 Si2 Tb -","- C80 H184 B16 Cl4 O12 Si8 Tb4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0507","0.0496","","","0.1073","0.1077","","","","","","1.541","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075407","15.951","0.003","11.403","0.002","16.982","0.003","90","","108.928","0.003","90","","2921.8","0.9","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl Dy O3 Si2 -","- C20 H46 B4 Cl Dy O3 Si2 -","- C80 H184 B16 Cl4 Dy4 O12 Si8 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0407","0.0393","","","0.0809","0.0814","","","","","","1.456","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075408","15.878","0.003","11.338","0.002","16.909","0.004","90","","108.957","0.003","90","","2878.9","1","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl Ho O3 Si2 -","- C20 H46 B4 Cl Ho O3 Si2 -","- C80 H184 B16 Cl4 Ho4 O12 Si8 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0625","0.0617","","","0.1439","0.1443","","","","","","1.426","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075409","15.948","0.003","11.377","0.002","16.973","0.003","90","","108.959","0.003","90","","2912.5","0.9","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl Er O3 Si2 -","- C20 H46 B4 Cl Er O3 Si2 -","- C80 H184 B16 Cl4 Er4 O12 Si8 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0329","0.0323","","","0.0672","0.0674","","","","","","1.434","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075410","15.942","0.003","11.358","0.002","16.952","0.003","90","","108.892","0.003","90","","2904.1","0.9","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl O3 Si2 Tm -","- C20 H46 B4 Cl O3 Si2 Tm -","- C80 H184 B16 Cl4 O12 Si8 Tm4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0401","0.0392","","","0.0805","0.0807","","","","","","1.551","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075411","15.952","0.002","11.3522","0.0016","16.954","0.003","90","","108.911","0.002","90","","2904.5","0.8","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl O3 Si2 Yb -","- C20 H46 B4 Cl O3 Si2 Yb -","- C80 H184 B16 Cl4 O12 Si8 Yb4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.064","0.063","","","0.1033","0.1035","","","","","","1.802","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075412","15.958","0.005","11.349","0.004","16.962","0.006","90","","108.938","0.005","90","","2905.7","1.7","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl Lu O3 Si2 -","- C20 H46 B4 Cl Lu O3 Si2 -","- C80 H184 B16 Cl4 Lu4 O12 Si8 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0438","0.043","","","0.0897","0.0899","","","","","","1.516","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075413","9.626","0.0016","20.961","0.003","11.2237","0.0018","90","","110.13","0.003","90","","2126.3","0.6","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 B4 Cl Dy O2 Si -","- C14 H32 B4 Cl Dy O2 Si -","- C56 H128 B16 Cl4 Dy4 O8 Si4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0833","0.0746","","","0.1883","0.1982","","","","","","1.166","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075414","9.6153","0.0011","20.96","0.002","11.2118","0.0012","90","","110.295","0.002","90","","2119.3","0.4","203","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 B4 Cl Ho O2 Si -","- C14 H32 B4 Cl Ho O2 Si -","- C56 H128 B16 Cl4 Ho4 O8 Si4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0253","0.0247","","","0.0602","0.0606","","","","","","1.172","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075415","9.6273","0.0018","20.98","0.004","11.151","0.002","90","","109.801","0.003","90","","2119.1","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 B4 Cl Er O2 Si -","- C14 H32 B4 Cl Er O2 Si -","- C56 H128 B16 Cl4 Er4 O8 Si4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0457","0.0454","","","0.0984","0.0985","","","","","","1.543","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075416","9.5975","0.0009","20.929","0.002","11.1403","0.0011","90","","110.264","0.002","90","","2099.2","0.4","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 B4 Cl O2 Si Yb -","- C14 H32 B4 Cl O2 Si Yb -","- C56 H128 B16 Cl4 O8 Si4 Yb4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0963","0.077","","","0.1848","0.2006","","","","","","1.151","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075417","23.323","0.005","9.847","0.002","27.109","0.006","90","","90.855","0.004","90","","6225","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H48 B8 Nd O2 Si2 -","- C20 H48 B8 Nd O2 Si2 -","- C160 H384 B64 Nd8 O16 Si16 -","8","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0964","0.0894","","","0.1882","0.1919","","","","","","1.339","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075418","8.0829","0.0009","23.889","0.003","14.8139","0.0015","90","","102.081","0.002","90","","2797.1","0.5","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 B4 Er O Si2 -","- C22 H40 B4 Er O Si2 -","- C88 H160 B16 Er4 O4 Si8 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0621","0.057","","","0.0961","0.0976","","","","","","1.386","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075419","8.4527","0.0019","10.699","0.002","17.467","0.004","80.29","0.003","77.221","0.004","87.107","0.004","1518.3","0.6","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H46 B4 Gd O2 Si2 -","- C24 H46 B4 Gd O2 Si2 -","- C48 H92 B8 Gd2 O4 Si4 -","2","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0602","0.0589","","","0.1171","0.1175","","","","","","1.536","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075420","12.264","0.001","16.982","0.001","25.395","0.001","90","","90","","90","","5288.9","0.6","198","2","198","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C64 H64 Cl2 O2 Zr2 -","- C64 H64 Cl2 O2 Zr2 -","- C256 H256 Cl8 O8 Zr8 -","4","0.5","","Paradies, Jan; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","[2+2]-Cycloaddition and Subsequentmeso/racansa-Metallocene Interconversion by Photolysis of a Bis(1,3-dialkenylcyclopentadienyl)zirconium Complex","Organometallics","2006","25","16","3920","","10.1021/om060269c","","","0.71073","MoKα","","0.1148","0.0569","","","0.1366","0.1607","","","","","","1.045","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075421","11.92","0.001","13.579","0.001","13.236","0.001","90","","101.85","0.01","90","","2096.7","0.3","198","2","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl2 Zr -","- C22 H26 Cl2 Zr -","- C88 H104 Cl8 Zr4 -","4","1","","Paradies, Jan; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","[2+2]-Cycloaddition and Subsequentmeso/racansa-Metallocene Interconversion by Photolysis of a Bis(1,3-dialkenylcyclopentadienyl)zirconium Complex","Organometallics","2006","25","16","3920","","10.1021/om060269c","","","0.71073","MoKα","","0.04","0.031","","","0.0787","0.0828","","","","","","1.063","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075422","19.1723","0.0016","19.1723","0.0016","24.043","0.004","90","","90","","120","","7653.6","1.6","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","biphenyl zirconocene","zirconocene 2,2'-biphenyldiyl","","- C22 H18 Zr -","- C22 H18 Zr -","- C396 H324 Zr18 -","18","1","","Hilton, Cameron L.; King, Benjamin T.","Four Homologous Zirconium 2,2‘-Biphenyldiyls: Synthesis, Structure, and Reactivity","Organometallics","2006","25","17","4058","","10.1021/om060270b","","","0.71073","MoKα","","0.0735","0.0398","","","0.0865","0.092","","","","","","0.866","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075423","19.2821","0.0017","14.6363","0.0013","15.0442","0.0013","90","","106.65","0.002","90","","4067.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bisbiphenyl cyclopentadienyl zirconate","bis(2,2'-biphenyldiyl cyclopentadienyl zirconate lithium","","- C47 H53 Li O4.5 Zr -","- C47 H53 Li O4.5 Zr -","- C188 H212 Li4 O18 Zr4 -","4","1","","Hilton, Cameron L.; King, Benjamin T.","Four Homologous Zirconium 2,2‘-Biphenyldiyls: Synthesis, Structure, and Reactivity","Organometallics","2006","25","17","4058","","10.1021/om060270b","","","0.71073","MoKα","","0.0399","0.0339","","","0.0937","0.0993","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075424","28.632","0.01","13.128","0.005","21.206","0.007","90","","131.001","0.008","90","","6016","4","173","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","trisbiphyzirconate","tris(2,2'-biphenyldiyl)zirconate lithium","","- C68 H86 Li2 O8 Zr -","- C68 H86 Li2 O8 Zr -","- C272 H344 Li8 O32 Zr4 -","4","0.5","","Hilton, Cameron L.; King, Benjamin T.","Four Homologous Zirconium 2,2‘-Biphenyldiyls: Synthesis, Structure, and Reactivity","Organometallics","2006","25","17","4058","","10.1021/om060270b","","","0.71073","MoKα","","0.0761","0.0559","","","0.1253","0.1323","","","","","","1.542","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075425","12.9268","0.0005","17.697","0.0006","23.7283","0.0008","90","","95.913","0.001","90","","5399.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrakisbiphyzirconate","tetrakis(2,2'-biphenyldiyl)zirconate lithium","","- C64 H72 Li4 O4 Zr -","- C64 H72 Li4 O4 Zr -","- C256 H288 Li16 O16 Zr4 -","4","1","","Hilton, Cameron L.; King, Benjamin T.","Four Homologous Zirconium 2,2‘-Biphenyldiyls: Synthesis, Structure, and Reactivity","Organometallics","2006","25","17","4058","","10.1021/om060270b","","","0.71073","MoKα","","0.0437","0.035","","","0.0891","0.0928","","","","","","1.051","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075426","16.5149","0.0016","9.3288","0.0007","10.5748","0.001","90","","109.12","0.008","90","","1539.3","0.2","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H38 N4 O2 -","- C36 H38 N4 O2 -","- C72 H76 N8 O4 -","2","0.5","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Sore, Nicholas T.; Rath, Rakesh K.; McFarlane, William; Harrington, Ross W.; Clegg, William","Modular Synthesis of a New Class of Bis(amino-oxazoline) Using Palladium-Catalyzed Buchwald−Hartwig Amination Methodology","Organometallics","2006","25","18","4341","","10.1021/om0602714","","","0.71073","MoKα","","0.0618","0.0552","","","0.1288","0.1361","","","","","","1.187","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075427","11.8347","0.0011","11.6956","0.0015","14.5993","0.0016","90","","102.316","0.01","90","","1974.2","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N3 O -","- C24 H25 N3 O -","- C96 H100 N12 O4 -","4","2","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Sore, Nicholas T.; Rath, Rakesh K.; McFarlane, William; Harrington, Ross W.; Clegg, William","Modular Synthesis of a New Class of Bis(amino-oxazoline) Using Palladium-Catalyzed Buchwald−Hartwig Amination Methodology","Organometallics","2006","25","18","4341","","10.1021/om0602714","","","0.71073","MoKα","","0.0599","0.0427","","","0.0938","0.1019","","","","","","1.102","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075428","9.9081","0.0015","11.1339","0.0017","14.528","0.002","96.546","0.002","102.527","0.002","90.104","0.002","1553.7","0.4","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C39 H36 N4 O2 -","- C39 H36 N4 O2 -","- C78 H72 N8 O4 -","2","2","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Sore, Nicholas T.; Rath, Rakesh K.; McFarlane, William; Harrington, Ross W.; Clegg, William","Modular Synthesis of a New Class of Bis(amino-oxazoline) Using Palladium-Catalyzed Buchwald−Hartwig Amination Methodology","Organometallics","2006","25","18","4341","","10.1021/om0602714","","","0.8462","synchrotron","","0.0707","0.0625","","","0.1589","0.1682","","","","","","1.016","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075429","10.6787","0.0003","10.6787","0.0003","34.894","0.002","90","","90","","90","","3979.1","0.3","150","2","150","2","","","","","","","","8","P 41","P 4w","76","","","","- C39 H44 Cl2 Cu F6 N4 O2 P -","- C39 H44 Cl2 Cu F6 N4 O2 P -","- C156 H176 Cl8 Cu4 F24 N16 O8 P4 -","4","1","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Sore, Nicholas T.; Rath, Rakesh K.; McFarlane, William; Harrington, Ross W.; Clegg, William","Modular Synthesis of a New Class of Bis(amino-oxazoline) Using Palladium-Catalyzed Buchwald−Hartwig Amination Methodology","Organometallics","2006","25","18","4341","","10.1021/om0602714","","","0.71073","MoKα","","0.0641","0.0546","","","0.1343","0.1422","","","","","","1.078","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075430","14.054","0.006","10.19","0.004","15.592","0.002","90","","93.9","0.03","90","","2227.8","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N P2 Ti -","- C22 H35 N P2 Ti -","- C88 H140 N4 P8 Ti4 -","4","1","","Cloke, F. Geoffrey N.; Green, Jennifer C.; Hazari, Nilay; Hitchcock, Peter B.; Mountford, Philip; Nixon, John F.; Wilson, D. James","Reactions oftBuC⋮P with Cyclooctatetraene-Supported Titanium Imido Complexes","Organometallics","2006","25","15","3688","","10.1021/om060273o","","","0.71073","MoKα","","0.0591","0.0401","","0.099","0.0892","","","","1.016","1.043","1.043","","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075431","16.6095","0.0003","10.6179","0.0002","18.3565","0.0003","90","","92.297","0.002","90","","3234.71","0.1","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","kjc0413","","","- C33 H36 N2 O8 Pd -","- C33 H36 N2 O8 Pd -","- C132 H144 N8 O32 Pd4 -","4","1","","Clement, Nicolas D.; Cavell, Kingsley J.; Ooi, Li-ling","Zerovalent N-Heterocyclic Carbene Complexes of Palladium and Nickel Dimethyl Fumarate: Synthesis, Structure, and Dynamic Behavior","Organometallics","2006","25","17","4155","","10.1021/om0602759","","","0.71073","MoKα","","0.059","0.0429","","","0.0988","0.106","","","","","","1.043","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075432","14.7055","0.0003","10.9864","0.0002","19.5639","0.0004","90","","98.248","0.001","90","","3128.06","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N2 Ni O8 -","- C33 H36 N2 Ni O8 -","- C132 H144 N8 Ni4 O32 -","4","1","","Clement, Nicolas D.; Cavell, Kingsley J.; Ooi, Li-ling","Zerovalent N-Heterocyclic Carbene Complexes of Palladium and Nickel Dimethyl Fumarate: Synthesis, Structure, and Dynamic Behavior","Organometallics","2006","25","17","4155","","10.1021/om0602759","","","0.71073","MoKα","","0.1471","0.0595","","","0.127","0.1548","","","","","","1.034","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075433","10.2286","0.0002","17.0906","0.0002","18.8608","0.0003","116.879","0.001","91.591","0.001","97.885","0.001","2898.02","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","kjc0407","","","- C66 H72 N4 Ni O4 -","- C66 H72 N4 Ni O4 -","- C132 H144 N8 Ni2 O8 -","2","1","","Clement, Nicolas D.; Cavell, Kingsley J.; Ooi, Li-ling","Zerovalent N-Heterocyclic Carbene Complexes of Palladium and Nickel Dimethyl Fumarate: Synthesis, Structure, and Dynamic Behavior","Organometallics","2006","25","17","4155","","10.1021/om0602759","","","0.71073","MoKα","","0.0969","0.056","","","0.1082","0.123","","","","","","1.034","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075434","10.7764","0.0001","16.4619","0.0002","29.9743","0.0003","90","","90.571","0.001","90","","5317.18","0.1","150","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","kjc0410","","","- C54 H62 N4 Ni2 O9 -","- C54 H62 N4 Ni2 O9 -","- C216 H248 N16 Ni8 O36 -","4","1","","Clement, Nicolas D.; Cavell, Kingsley J.; Ooi, Li-ling","Zerovalent N-Heterocyclic Carbene Complexes of Palladium and Nickel Dimethyl Fumarate: Synthesis, Structure, and Dynamic Behavior","Organometallics","2006","25","17","4155","","10.1021/om0602759","","","0.71073","MoKα","","0.0659","0.0531","","","0.1327","0.1393","","","","","","1.13","","","","has coordinates,has disorder","178643","2020-10-21","18:00:00",""
"4075435","9.815","0.001","9.859","0.001","17.291","0.003","95.6","0.01","90.68","0.01","98.63","0.01","1645.7","0.4","130","","130","","","","","","","","by syntheses","5","P -1","-P 1","2","","","","- C26 H61 N4 Si2 Y -","- C26 H61 N4 Si2 Y -","- C52 H122 N8 Si4 Y2 -","2","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.","Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes","Organometallics","2006","25","14","3486","","10.1021/om060278l","","","0.71073","MoKα","","0.1413","0.0731","","","0.1505","0.18","","","","","","1.016","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075436","9.9434","0.0006","17.752","0.001","19.563","0.001","91.197","0.001","94.254","0.001","91.353","0.001","3441.8","0.3","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C26 H63 N4 Si3 Y -","- C26 H63 N4 Si3 Y -","- C104 H252 N16 Si12 Y4 -","4","2","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.","Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes","Organometallics","2006","25","14","3486","","10.1021/om060278l","","","0.71073","MoKα","","0.078","0.0637","","","0.1446","0.1516","","","","","","1.069","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075437","10.0781","0.0005","17.8056","0.0008","19.7373","0.0009","90.996","0.001","94.522","0.001","91.577","0.001","3528.7","0.3","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C26 H63 La N4 Si3 -","- C26 H63 La N4 Si3 -","- C104 H252 La4 N16 Si12 -","4","2","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.","Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes","Organometallics","2006","25","14","3486","","10.1021/om060278l","","","0.71073","MoKα","","0.0655","0.0537","","","0.1252","0.1307","","","","","","1.088","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075438","12.1829","0.0006","13.652","0.0007","14.8613","0.0008","86.335","0.001","88.358","0.001","78.635","0.001","2418","0.2","100","1","100","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C50 H78 B N4 O Si Y -","- C50 H78 B N4 O Si Y -","- C100 H156 B2 N8 O2 Si2 Y2 -","2","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.","Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes","Organometallics","2006","25","14","3486","","10.1021/om060278l","","","0.71073","MoKα","","0.0405","0.0335","","","0.0822","0.0852","","","","","","1.05","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075439","17.775","0.002","20.181","0.002","30.309","0.003","90","","90","","90","","10872","2","100","1","100","1","","","","","","","see text","7","P b c a","-P 2ac 2ab","61","","","","- C54 H88 B N4 O2 Si2 Y -","- C50 H80 B N4 O Si2 Y -","- C400 H640 B8 N32 O8 Si16 Y8 -","8","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.","Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes","Organometallics","2006","25","14","3486","","10.1021/om060278l","","","0.71073","MoKα","","0.1218","0.0622","","","0.1444","0.1637","","","","","","0.972","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075440","14.573","0.001","16.465","0.001","18.963","0.001","90","","96.348","0.001","90","","4522.2","0.5","200","1","200","1","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H68 B La N4 O Si -","- C46 H68 B La N4 O Si -","- C184 H272 B4 La4 N16 O4 Si4 -","4","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.","Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes","Organometallics","2006","25","14","3486","","10.1021/om060278l","","","0.71073","MoKα","","0.1942","0.1099","","","0.2623","0.2929","","","","","","1.521","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075441","14.6054","0.001","18.5796","0.0014","15.1759","0.0013","90","","95.168","0.006","90","","4101.4","0.5","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 I3 Ir N O3 P2 -","- C40 H33 I3 Ir N O3 P2 -","- C160 H132 I12 Ir4 N4 O12 P8 -","4","1","","Gautron, Samuel; Lassauque, Nicolas; Le Berre, Carole; Azam, Laurent; Giordano, Roberto; Serp, Philippe; Laurenczy, Gábor; Daran, Jean Claude; Duhayon, Carine; Thiébaut, Daniel; Kalck, Philippe","Promoting Role of [PtI2(CO)]2in the Iridium-Catalyzed Methanol Carbonylation to Acetic Acid and Its Interaction with Involved Iridium Species","Organometallics","2006","25","25","5894","","10.1021/om060282x","","","0.71073","MoKα","","0.11","0.0397","","0.0499","0.0436","0.0436","","","","","","1.1288","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075442","13.6476","0.0007","17.9405","0.0009","15.4626","0.0009","90","","104.57","0.005","90","","3664.2","0.3","180","2","180","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 I3 N O P2 Pt -","- C37 H30 I3 N O P2 Pt -","- C148 H120 I12 N4 O4 P8 Pt4 -","4","1","","Gautron, Samuel; Lassauque, Nicolas; Le Berre, Carole; Azam, Laurent; Giordano, Roberto; Serp, Philippe; Laurenczy, Gábor; Daran, Jean Claude; Duhayon, Carine; Thiébaut, Daniel; Kalck, Philippe","Promoting Role of [PtI2(CO)]2in the Iridium-Catalyzed Methanol Carbonylation to Acetic Acid and Its Interaction with Involved Iridium Species","Organometallics","2006","25","25","5894","","10.1021/om060282x","","x-ray","0.71073","MoKα","","0.0384","0.0345","","","0.0741","0.0766","","","","","","1.091","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075443","11.143","0.005","14.322","0.001","24.444","0.003","90","","97.4","0.01","90","","3868.5","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 I N Nb P Si2 -","- C36 H50 I N Nb P Si2 -","- C144 H200 I4 N4 Nb4 P4 Si8 -","4","1","","Antiñolo, Antonio; Evrard, David; García-Yuste, Santiago; Otero, Antonio; Pérez-Flores, Juan C.; Reguillo-Carmona, Rebeca; Rodríguez, Ana M.; Villaseñor, Elena","Synthesis, Characterization, and Reactivity of Isocyanidephosphidoniobocene Derivatives: X-ray Diffraction Structures of New Isocyanideniobocene Complexes, [Nb(η5-C5H4SiMe3)2(CNR)(PMePh2)]I, R = Xylyl, Cy","Organometallics","2006","25","15","3670","","10.1021/om060283p","","","0.71069","MoKα","","0.0802","0.0491","","","0.1403","0.1851","","","","","","1.063","","","","has coordinates,has disorder","178643","2020-10-21","18:00:00",""
"4075444","10.992","0.005","14.39","0.002","24.683","0.002","90","","90","","90","","3904.2","1.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 I N Nb P Si2 -","- C38 H48 I N Nb P Si2 -","- C152 H192 I4 N4 Nb4 P4 Si8 -","4","1","","Antiñolo, Antonio; Evrard, David; García-Yuste, Santiago; Otero, Antonio; Pérez-Flores, Juan C.; Reguillo-Carmona, Rebeca; Rodríguez, Ana M.; Villaseñor, Elena","Synthesis, Characterization, and Reactivity of Isocyanidephosphidoniobocene Derivatives: X-ray Diffraction Structures of New Isocyanideniobocene Complexes, [Nb(η5-C5H4SiMe3)2(CNR)(PMePh2)]I, R = Xylyl, Cy","Organometallics","2006","25","15","3670","","10.1021/om060283p","","","0.7107","MoKα","","0.1244","0.0592","","","0.128","0.1956","","","","","","0.967","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075445","11.045","0.004","23.888","0.01","12.305","0.005","90","","107.215","0.009","90","","3101","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cr N O8 Se -","- C33 H29 Cr N O8 Se -","- C132 H116 Cr4 N4 O32 Se4 -","4","1","","Zheng, Zhaoyan; Chen, Jinzhu; Luo, Ning; Yu, Zhengkun; Han, Xiuwen","Efficient Demetalation of Fischer Alkoxy- and Amino-Biscarbene Complexes of Chromium via CO-Promoted Sulfuration and Selenylation","Organometallics","2006","25","22","5301","5310","10.1021/om060288m","","","0.71073","MoKα","","0.2042","0.0499","","","0.0674","0.1129","","","","","","0.844","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075446","9.8424","0.0012","10.0858","0.0013","14.5902","0.0018","107.768","0.002","103.307","0.002","100.49","0.002","1291.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N O3 Se2 -","- C28 H29 N O3 Se2 -","- C56 H58 N2 O6 Se4 -","2","1","","Zheng, Zhaoyan; Chen, Jinzhu; Luo, Ning; Yu, Zhengkun; Han, Xiuwen","Efficient Demetalation of Fischer Alkoxy- and Amino-Biscarbene Complexes of Chromium via CO-Promoted Sulfuration and Selenylation","Organometallics","2006","25","22","5301","5310","10.1021/om060288m","","","0.71073","MoKα","","0.0824","0.0513","","","0.1194","0.1285","","","","","","0.862","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075447","9.9852","0.0012","10.0883","0.0012","16.4519","0.0019","87.999","0.002","75.261","0.002","84.954","0.002","1596.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H32 Cr N2 O8 -","- C35 H32 Cr N2 O8 -","- C70 H64 Cr2 N4 O16 -","2","1","","Zheng, Zhaoyan; Chen, Jinzhu; Luo, Ning; Yu, Zhengkun; Han, Xiuwen","Efficient Demetalation of Fischer Alkoxy- and Amino-Biscarbene Complexes of Chromium via CO-Promoted Sulfuration and Selenylation","Organometallics","2006","25","22","5301","5310","10.1021/om060288m","","","0.71073","MoKα","","0.0607","0.0521","","","0.1423","0.148","","","","","","1.012","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075448","6.9915","0.0008","9.296","0.001","11.6505","0.0012","95.864","0.002","100.443","0.002","101.288","0.002","722.78","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H6 Cr O6 S -","- C14 H6 Cr O6 S -","- C28 H12 Cr2 O12 S2 -","2","1","","Zheng,; Chen, Jinzhu; Luo, Ning; Yu,; Han, Xiuwen","Efficient Demetalation of Fischer Alkoxy- and Amino-Biscarbene Complexes of Chromium via CO-Promoted Sulfuration and Selenylation","Organometallics","2006","25","22","5301","","10.1021/om060288m","","","0.71073","MoKα","","0.0392","0.0343","","","0.0943","0.097","","","","","","1.073","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075449","9.3016","0.0005","21.458","0.0012","15.0813","0.0008","90","","99.619","0.001","90","","2967.8","0.3","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[NiCl(PCP-Ph)]+0.5C6H6","","","- C33 H28 Cl N2 Ni P2 -","- C33 H28 Cl N2 Ni P2 -","- C132 H112 Cl4 N8 Ni4 P8 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.1026","0.0391","","","0.0665","0.0788","","","","","","0.759","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075450","22.614","0.002","7.9747","0.0008","13.7454","0.0014","90","","90","","90","","2478.8","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","[NiCl(PCP-tBu)]","","","- C22 H41 Cl N2 Ni P2 -","- C22 H41 Cl N2 Ni P2 -","- C88 H164 Cl4 N8 Ni4 P8 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.0409","0.0335","","","0.0787","0.0821","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075451","12.9104","0.0006","14.3253","0.0006","18.6546","0.0008","90","","90","","90","","3450.1","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[PdCl(PCP-Ph)].2DMF","","","- C36 H39 Cl N4 O2 P2 Pd -","- C36 H39 Cl N4 O2 P2 Pd -","- C144 H156 Cl4 N16 O8 P8 Pd4 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.0246","0.0234","","","0.0615","0.0628","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075452","11.1604","0.0005","19.9505","0.0009","13.6931","0.0006","90","","94.624","0.001","90","","3038.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[PdCl(CF3-PCP-Ph)].CH3CN","","","- C33 H27 Cl F3 N3 P2 Pd -","- C33 H27 Cl F3 N3 P2 Pd -","- C132 H108 Cl4 F12 N12 P8 Pd4 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.0213","0.0203","","","0.0526","0.0533","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075453","8.7928","0.0005","18.5713","0.0011","24.1001","0.0014","90","","97.161","0.001","90","","3904.7","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[PtBr(PCP-Ph)].[Et3NH]Br.CH2Cl2","","","- C37 H43 Br2 Cl2 N3 P2 Pt -","- C37 H43 Br2 Cl2 N3 P2 Pt -","- C148 H172 Br8 Cl8 N12 P8 Pt4 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.0412","0.0293","","","0.0682","0.0722","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075454","12.4771","0.0006","14.3627","0.0007","13.8741","0.0007","90","","94.266","0.001","90","","2479.4","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Pd(PCP-iPr)(CF3COO)]","","","- C20 H33 F3 N2 O2 P2 Pd -","- C20 H33 F3 N2 O2 P2 Pd -","- C80 H132 F12 N8 O8 P8 Pd4 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.029","0.0263","","","0.066","0.0678","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075455","13.6286","0.0012","15.5379","0.0014","18.6978","0.0017","90","","90","","90","","3959.4","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Pd(PCP-bipol)(CF3COO)].2(Et2O)","","","- C40 H41 F3 N2 O8 P2 Pd -","- C40 H41 F3 N2 O8 P2 Pd -","- C160 H164 F12 N8 O32 P8 Pd4 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.0467","0.0397","","","0.0947","0.1026","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075456","9.1424","0.0008","10.0636","0.0009","14.1503","0.0013","90","","120.638","0.006","90","","1120.16","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis{(m-h2-hydridodiethylsilyl)tetracarbonyl-molybdenum(I)}","","- C16 H22 Mo2 O8 Si2 -","- C16 H22 Mo2 O8 Si2 -","- C32 H44 Mo4 O16 Si4 -","2","0.5","","Stosur, Magdalena; Kochel, Andrzej; Keller, Antoni; Szymańska-Buzar, Teresa","Photochemical Reaction of Mo(CO)6with Et2SiH2: Spectroscopic Characterization and Crystal Structure of the Bis{(μ-η2-hydridodiethylsilyl)tetracarbonylmolybdenum(I)} Complex [{Mo(μ-η2-H−SiEt2)(CO)4}2]","Organometallics","2006","25","15","3791","","10.1021/om060290d","","","0.71073","MoKα","","0.0301","0.0243","","","0.0552","0.057","","","","","","1.1","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075457","10.349","0.008","12.101","0.004","12.42","0.003","91.378","0.01","90.12","0.06","99.34","0.04","1534.3","1.4","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H46 Fe2 N2 -","- C34 H31 Fe2 N2 -","- C68 H62 Fe4 N4 -","2","1","","Ohki, Yasuhiro; Takikawa, Yuko; Hatanaka, Tsubasa; Tatsumi, Kazuyuki","Reductive N−N Bond Cleavage of Diphenylhydrazine and Azobenzene Induced by Coordinatively Unsaturated Cp*Fe{N(SiMe3)2}","Organometallics","2006","25","13","3111","","10.1021/om0602963","","","0.7107","MoKα","","","0.0826","","","","0.1097","","","","","","1.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075458","17.794","0.003","11.639","0.002","13.517","0.002","90","","93.709","0.002","90","","2793.6","0.8","143.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Fe2 N2 -","- C32 H40 Fe2 N2 -","- C128 H160 Fe8 N8 -","4","0.5","","Ohki, Yasuhiro; Takikawa, Yuko; Hatanaka, Tsubasa; Tatsumi, Kazuyuki","Reductive N−N Bond Cleavage of Diphenylhydrazine and Azobenzene Induced by Coordinatively Unsaturated Cp*Fe{N(SiMe3)2}","Organometallics","2006","25","13","3111","","10.1021/om0602963","","","0.7107","MoKα","","","0.0252","","","","0.0361","","","","","","1.306","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075459","20.681","0.003","22.191","0.003","25.607","0.003","90","","90","","90","","11752","3","143.2","","","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C26 H49 Fe2 N Si2 -","- C26 H49 Fe2 N Si2 -","- C416 H784 Fe32 N16 Si32 -","16","0.5","","Ohki, Yasuhiro; Takikawa, Yuko; Hatanaka, Tsubasa; Tatsumi, Kazuyuki","Reductive N−N Bond Cleavage of Diphenylhydrazine and Azobenzene Induced by Coordinatively Unsaturated Cp*Fe{N(SiMe3)2}","Organometallics","2006","25","13","3111","","10.1021/om0602963","","","0.7107","MoKα","","","0.0327","","","","0.0466","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075460","12.9517","0.0019","12.9645","0.0019","20.395","0.003","82.092","0.004","83.09","0.004","86.68","0.004","3364.4","0.9","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H86 N4 P2 S4 -","- C74 H81 N4 P2 S4 -","- C148 H162 N8 P4 S8 -","2","1","","Matano, Yoshihiro; Nakabuchi, Takashi; Miyajima, Tooru; Imahori, Hiroshi","Phosphole-Containing Hybrid Calixpyrroles: New Multifunctional Macrocyclic Ligands for Platinum(II) Ions","Organometallics","2006","25","13","3105","","10.1021/om060300a","","","0.7107","MoKα","","","0.0493","","","","0.1329","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075461","11.2995","0.0014","16.673","0.002","18.066","0.002","90","","90","","90","","3403.6","0.7","123.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H43 N2 O P S -","- C37 H43 N2 O P S -","- C148 H172 N8 O4 P4 S4 -","4","1","","Matano, Yoshihiro; Nakabuchi, Takashi; Miyajima, Tooru; Imahori, Hiroshi","Phosphole-Containing Hybrid Calixpyrroles: New Multifunctional Macrocyclic Ligands for Platinum(II) Ions","Organometallics","2006","25","13","3105","","10.1021/om060300a","","","0.7107","MoKα","","","0.0404","","","","0.1042","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075462","11.46","0.008","18.498","0.013","22.927","0.015","90","","91.15","0.004","90","","4859","6","123.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H56 Cl7 N2 P Pt S -","- C47 H56 Cl7 N2 P Pt S -","- C188 H224 Cl28 N8 P4 Pt4 S4 -","4","1","","Matano, Yoshihiro; Nakabuchi, Takashi; Miyajima, Tooru; Imahori, Hiroshi","Phosphole-Containing Hybrid Calixpyrroles: New Multifunctional Macrocyclic Ligands for Platinum(II) Ions","Organometallics","2006","25","13","3105","","10.1021/om060300a","","","0.7107","MoKα","","","0.0578","","","","0.1449","","","","","","0.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075463","12.6356","0.0007","19.2328","0.0011","24.6795","0.0014","90","","90","","90","","5997.6","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H39.5 N2 Ni S -","- C36 H39.5 N2 Ni S -","- C288 H316 N16 Ni8 S8 -","8","1","","Malyshev, Denis A.; Scott, Natalie M.; Marion, Nicolas; Stevens, Edwin D.; Ananikov, Valentine P.; Beletskaya, Irina P.; Nolan, Steven P.","Homogeneous Nickel Catalysts for the Selective Transfer of a Single Arylthio Group in the Catalytic Hydrothiolation of Alkynes","Organometallics","2006","25","19","4462","","10.1021/om060302v","","","0.71073","MoKα","","0.0598","0.0473","","","0.132","0.1374","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075464","9.246","0.0003","9.3525","0.0003","21.5658","0.0008","87.784","0.001","78.42","0.001","66.072","0.001","1667.99","0.1","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H46 N2 Ni S -","- C38 H46 N2 Ni S -","- C76 H92 N4 Ni2 S2 -","2","2","","Malyshev, Denis A.; Scott, Natalie M.; Marion, Nicolas; Stevens, Edwin D.; Ananikov, Valentine P.; Beletskaya, Irina P.; Nolan, Steven P.","Homogeneous Nickel Catalysts for the Selective Transfer of a Single Arylthio Group in the Catalytic Hydrothiolation of Alkynes","Organometallics","2006","25","19","4462","","10.1021/om060302v","","","0.71073","MoKα","","0.0348","0.0269","","","0.0675","0.0706","","","","","","0.982","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075465","20.218","0.003","14.776","0.002","11.5831","0.0018","90","","102.328","0.003","90","","3380.6","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 N2 Ni S -","- C38 H48 N2 Ni S -","- C152 H192 N8 Ni4 S4 -","4","1","","Malyshev, Denis A.; Scott, Natalie M.; Marion, Nicolas; Stevens, Edwin D.; Ananikov, Valentine P.; Beletskaya, Irina P.; Nolan, Steven P.","Homogeneous Nickel Catalysts for the Selective Transfer of a Single Arylthio Group in the Catalytic Hydrothiolation of Alkynes","Organometallics","2006","25","19","4462","","10.1021/om060302v","","","0.71073","MoKα","","0.0884","0.0744","","","0.1913","0.1964","","","","","","1.118","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075466","14.9652","0.0005","13.0364","0.0004","17.1893","0.0006","90","","103.71","0.001","90","","3257.95","0.19","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H40 N2 Ni O S -","- C36.5 H40 N2 Ni O S -","- C146 H160 N8 Ni4 O4 S4 -","4","1","","Malyshev, Denis A.; Scott, Natalie M.; Marion, Nicolas; Stevens, Edwin D.; Ananikov, Valentine P.; Beletskaya, Irina P.; Nolan, Steven P.","Homogeneous Nickel Catalysts for the Selective Transfer of a Single Arylthio Group in the Catalytic Hydrothiolation of Alkynes","Organometallics","2006","25","19","4462","","10.1021/om060302v","","","0.71073","MoKα","","0.0366","0.0288","","","0.0733","0.0782","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075467","9.1796","0.0014","19.161","0.003","15.043","0.002","90","","102.598","0.003","90","","2582.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H43 N7 Ti -","- C22 H43 N7 Ti -","- C88 H172 N28 Ti4 -","4","1","","Banerjee, Sanjukta; Odom, Aaron L.","Synthesis and Structure of a Titanium Hydrazido(2−) Complex","Organometallics","2006","25","13","3099","","10.1021/om060304f","","","0.71073","MoKα","","0.0742","0.0436","","","0.104","0.13","","","","","","1.012","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075468","28.3795","0.0014","12.6335","0.0007","24.976","0.0013","90","","114.676","0.001","90","","8137","0.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H71 N2 Ti -","- C43 H71 N2 Ti -","- C344 H568 N16 Ti8 -","8","2","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Oxidatively Induced α-Hydrogen Abstraction. A Mild Protocol to Generate Terminal Titanium Alkylidenes Containing a β-Hydrogen","Organometallics","2006","25","16","3963","","10.1021/om060308k","","","0.71073","MoKα","","0.0566","0.0387","","","0.1041","0.1123","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075469","10.912","0.009","18.992","0.016","19.841","0.017","90","","90","","90","","4112","6","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H60 F3 N2 O3 S Ti -","- C40 H60 F3 N2 O3 S Ti -","- C160 H240 F12 N8 O12 S4 Ti4 -","4","1","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Oxidatively Induced α-Hydrogen Abstraction. A Mild Protocol to Generate Terminal Titanium Alkylidenes Containing a β-Hydrogen","Organometallics","2006","25","16","3963","","10.1021/om060308k","","","0.71073","MoKα","","0.2319","0.057","","","0.0932","0.1416","","","","","","0.641","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075470","15.2449","0.0017","20.245","0.002","17.852","0.002","90","","115.068","0.003","90","","4990.7","0.9","128","2","128","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H73 F3 N2 O3 S Ti -","- C45 H61 F3 N2 O3 S Ti -","- C180 H244 F12 N8 O12 S4 Ti4 -","4","1","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Oxidatively Induced α-Hydrogen Abstraction. A Mild Protocol to Generate Terminal Titanium Alkylidenes Containing a β-Hydrogen","Organometallics","2006","25","16","3963","","10.1021/om060308k","","","0.71073","MoKα","","0.1254","0.0545","","","0.1366","0.1569","","","","","","0.851","","","","has coordinates,has disorder","178643","2020-10-21","18:00:00",""
"4075471","9.9065","0.0009","20.0341","0.0017","18.2344","0.0017","90","","103.196","0.003","90","","3523.4","0.5","128","2","128","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H48 F3 N O3 P2 S Ti -","- C31 H47.5 F3 N O3 P2 S Ti -","- C124 H190 F12 N4 O12 P8 S4 Ti4 -","4","2","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Oxidatively Induced α-Hydrogen Abstraction. A Mild Protocol to Generate Terminal Titanium Alkylidenes Containing a β-Hydrogen","Organometallics","2006","25","16","3963","","10.1021/om060308k","","","0.71073","MoKα","","0.0936","0.0576","","","0.1123","0.1249","","","","","","0.869","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075472","13.151","0.002","13.151","0.002","68.335","0.016","90","","90","","120","","10235","3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H66 Ag3 I3 N18 -","- C60 H66 Ag3 I3 N18 -","- C360 H396 Ag18 I18 N108 -","6","0.166667","","Wang, Xin; Liu, Shuang; Weng, Lin-Hong; Jin, Guo-Xin","A Trinuclear Silver(I) Functionalized N-Heterocyclic Carbene Complex and Its Use in Transmetalation: Structure and Catalytic Activity for Olefin Polymerization","Organometallics","2006","25","15","3565","","10.1021/om060309c","","","0.71073","mokα","","0.0857","0.0635","","","0.1865","0.2116","","","","","","1.038","","","","has coordinates","189843","2020-10-21","18:00:00",""
"4075473","8.4682","0.0018","8.5914","0.0018","9.122","0.002","104.258","0.004","98.156","0.005","98.661","0.004","624.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cl2 N3 Pd -","- C10 H11 Cl2 N3 Pd -","- C20 H22 Cl4 N6 Pd2 -","2","1","","Wang, Xin; Liu, Shuang; Weng, Lin-Hong; Jin, Guo-Xin","A Trinuclear Silver(I) Functionalized N-Heterocyclic Carbene Complex and Its Use in Transmetalation: Structure and Catalytic Activity for Olefin Polymerization†","Organometallics","2006","25","15","3565","","10.1021/om060309c","","","0.71073","MoKα","","0.0468","0.0371","","","0.0849","0.088","","","","","","0.981","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075474","9.363","0.0003","25.2755","0.0008","9.6082","0.0003","90","","112.724","0.001","90","","2097.32","0.12","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 Be N2 -","- C23 H30 Be N2 -","- C92 H120 Be4 N8 -","4","2","","Gottfriedsen, Jochen; Blaurock, Steffen","The First Carbene Complex of a Diorganoberyllium: Synthesis and Structural Characterization of Ph2Be(i-Pr-carbene) and Ph2Be(n-Bu2O)","Organometallics","2006","25","15","3784","","10.1021/om0603114","","","0.71073","MoKα","","0.0787","0.0589","","","0.1563","0.1686","","","","","","1.109","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075475","9.4993","0.0009","10.5282","0.001","18.7174","0.0018","90","","103.118","0.002","90","","1823.1","0.3","200","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Be O -","- C20 H28 Be O -","- C80 H112 Be4 O4 -","4","1","","Gottfriedsen, Jochen; Blaurock, Steffen","The First Carbene Complex of a Diorganoberyllium: Synthesis and Structural Characterization of Ph2Be(i-Pr-carbene) and Ph2Be(n-Bu2O)","Organometallics","2006","25","15","3784","","10.1021/om0603114","","","0.71073","MoKα","","0.0905","0.0515","","","0.1284","0.1485","","","","","","1","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075476","24.633","0.005","11.588","0.003","15.585","0.004","90","","90","","90","","4448.7","1.9","223","2","223","2","","","","","","","","7","P c a 21","P 2c -2ac","29","compound 2.2CH2Cl2","","","- C47 H45 Cl6 Fe N P2 Ru -","- C47 H45 Cl6 Fe N P2 Ru -","- C188 H180 Cl24 Fe4 N4 P8 Ru4 -","4","1","","Carrión, M. Carmen; García-Vaquero, Ernesto; Jalón, Félix A.; Manzano, Blanca R.; Weissensteiner, Walter; Mereiter, Kurt","Formation of Fischer-Type Aminocarbenes by a Double C−H Bond Activation of a Methylamino Group⊥","Organometallics","2006","25","19","4498","","10.1021/om060314g","","","0.71073","MoKα","","0.0418","0.0314","","","0.0761","0.0802","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075477","9.268","0.0002","14.546","0.0004","17.108","0.0005","90","","105.371","0.001","90","","2223.87","0.1","200.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 B Mo N2 O4 P -","- C18 H30 B Mo N2 O4 P -","- C72 H120 B4 Mo4 N8 O16 P4 -","4","1","","Nakazawa, Hiroshi; Ohba, Masaharu; Itazaki, Masumi","Synthesis and Reactivity of a Phosphite−Boryl Complex of Molybdenum: Formation of (η5-C5Me5)Mo(CO)3(BH2·phosphite) and Its Mo−B, B−P, and B−H Bond Reactions","Organometallics","2006","25","12","2903","","10.1021/om0603159","","","0.7107","MoKα","","","0.0421","","","","0.0849","","","","","","1.472","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075478","8.829","0.004","8.886","0.004","13.847","0.005","90.66","0.004","101.191","0.007","111.629","0.009","986.5","0.7","203","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H29 Mo N2 O3 P -","- C17 H29 Mo N2 O3 P -","- C34 H58 Mo2 N4 O6 P2 -","2","1","","Nakazawa, Hiroshi; Ohba, Masaharu; Itazaki, Masumi","Synthesis and Reactivity of a Phosphite−Boryl Complex of Molybdenum: Formation of (η5-C5Me5)Mo(CO)3(BH2·phosphite) and Its Mo−B, B−P, and B−H Bond Reactions","Organometallics","2006","25","12","2903","","10.1021/om0603159","","","0.7107","MoKα","","0.0497","0.0478","","","0.1214","0.1223","","","","","","1.169","","","","has coordinates,has disorder","178643","2020-10-21","18:00:00",""
"4075479","11.665","0.003","28.63","0.007","11.17","0.003","90","","117.252","0.005","90","","3316.4","1.5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Ir2 N2 S2 -","- C34 H39 Ir2 N2 S2 -","- C136 H156 Ir8 N8 S8 -","4","1","","Miranda-Soto, Valentín; Pérez-Torrente, Jesús J.; Oro, Luis A.; Lahoz, Fernando J.; Martín, M. Luisa; Parra-Hake, Miguel; Grotjahn, Douglas B.","Effects of the Heterocycle and Its Substituents on Structure and Fluxionality in Rhodium(I) and Iridium(I) Complexes with the Hindered Thiolates 6-tert-Butylpyridine-2-thiolate and 1-Alkyl-4-tert-butylimidazole-2-thiolate (alkyl = methyl andtert-butyl)","Organometallics","2006","25","18","4374","","10.1021/om060317t","","","0.71073","MoKα","","0.0872","0.0532","","","0.089","0.0989","","","","","","1.025","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075480","12.0428","0.0014","12.705","0.0014","18.72","0.002","81.561","0.002","72.552","0.002","69.439","0.002","2555.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H54 N2 O2 P2 Rh2 S2 -","- C56 H54 N2 O2 P2 Rh2 S2 -","- C112 H108 N4 O4 P4 Rh4 S4 -","2","1","","Miranda-Soto, Valentín; Pérez-Torrente, Jesús J.; Oro, Luis A.; Lahoz, Fernando J.; Martín, M. Luisa; Parra-Hake, Miguel; Grotjahn, Douglas B.","Effects of the Heterocycle and Its Substituents on Structure and Fluxionality in Rhodium(I) and Iridium(I) Complexes with the Hindered Thiolates 6-tert-Butylpyridine-2-thiolate and 1-Alkyl-4-tert-butylimidazole-2-thiolate (alkyl = methyl andtert-butyl)","Organometallics","2006","25","18","4374","","10.1021/om060317t","","","0.71073","MoKα","","0.0397","0.0315","","","0.0712","0.0745","","","","","","1.024","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075481","11.2689","0.0009","16.9773","0.0014","18.2119","0.0015","101.952","0.001","105.602","0.001","90.245","0.001","3276.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H100 N8 Rh4 S4 -","- C64 H72 N8 Rh4 S4 -","- C128 H144 N16 Rh8 S8 -","2","1","","Miranda-Soto, Valentín; Pérez-Torrente, Jesús J.; Oro, Luis A.; Lahoz, Fernando J.; Martín, M. Luisa; Parra-Hake, Miguel; Grotjahn, Douglas B.","Effects of the Heterocycle and Its Substituents on Structure and Fluxionality in Rhodium(I) and Iridium(I) Complexes with the Hindered Thiolates 6-tert-Butylpyridine-2-thiolate and 1-Alkyl-4-tert-butylimidazole-2-thiolate (alkyl = methyl andtert-butyl)","Organometallics","2006","25","18","4374","","10.1021/om060317t","","","0.71073","MoKα","","0.0652","0.052","","","0.1192","0.1258","","","","","","1.056","","","","has coordinates,has disorder","178643","2020-10-21","18:00:00",""
"4075482","10.4217","0.0007","20.8686","0.0014","18.8799","0.0012","90","","96.62","0.001","90","","4078.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H66 N4 O Rh2 S2 -","- C39 H62 N4 O Rh2 S2 -","- C156 H248 N16 O4 Rh8 S8 -","4","1","","Miranda-Soto, Valentín; Pérez-Torrente, Jesús J.; Oro, Luis A.; Lahoz, Fernando J.; Martín, M. Luisa; Parra-Hake, Miguel; Grotjahn, Douglas B.","Effects of the Heterocycle and Its Substituents on Structure and Fluxionality in Rhodium(I) and Iridium(I) Complexes with the Hindered Thiolates 6-tert-Butylpyridine-2-thiolate and 1-Alkyl-4-tert-butylimidazole-2-thiolate (alkyl = methyl andtert-butyl)","Organometallics","2006","25","18","4374","","10.1021/om060317t","","","0.71073","MoKα","","0.0577","0.0444","","","0.1033","0.1103","","","","","","1.037","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075483","9.243","0.005","9.618","0.005","16.901","0.005","99.912","0.005","94.141","0.005","104.632","0.005","1421.5","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H34 Ir N2 O P S -","- C30 H34 Ir N2 O P S -","- C60 H68 Ir2 N4 O2 P2 S2 -","2","1","","Miranda-Soto, Valentín; Pérez-Torrente, Jesús J.; Oro, Luis A.; Lahoz, Fernando J.; Martín, M. Luisa; Parra-Hake, Miguel; Grotjahn, Douglas B.","Effects of the Heterocycle and Its Substituents on Structure and Fluxionality in Rhodium(I) and Iridium(I) Complexes with the Hindered Thiolates 6-tert-Butylpyridine-2-thiolate and 1-Alkyl-4-tert-butylimidazole-2-thiolate (alkyl = methyl andtert-butyl)","Organometallics","2006","25","18","4374","","10.1021/om060317t","","","0.71069","MoKα","","0.0392","0.0318","","","0.0627","0.065","","","","","","1.046","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075484","9.3604","0.0002","10.6617","0.0002","11.8605","0.0002","85.673","0.001","78.553","0.001","75.044","0.001","1120.44","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 F10 N2 Zn -","- C20 H22 F10 N2 Zn -","- C40 H44 F20 N4 Zn2 -","2","1","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.0378","0.0314","","","0.0729","0.0761","","","","","","1.046","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075485","8.9718","0.001","10.7059","0.0014","12.7667","0.001","95.767","0.009","96.916","0.008","91.488","0.011","1210.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 F10 N2 Zn -","- C26 H18 F10 N2 Zn -","- C52 H36 F20 N4 Zn2 -","2","1","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.104","0.0966","","","0.2525","0.2608","","","","","","1.055","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075486","17.2494","0.0003","6.8268","0.0002","16.9013","0.0004","90","","113.509","0.001","90","","1825.07","0.08","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 F10 N2 Zn -","- C16 H14 F10 N2 Zn -","- C64 H56 F40 N8 Zn4 -","4","0.5","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.0206","0.0197","","","0.0534","0.0539","","","","","","1.057","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075487","10.1667","0.0003","12.6768","0.0002","21.2601","0.0006","90","","90.659","0.001","90","","2739.85","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 F10 N2 Zn -","- C28 H22 F10 N2 Zn -","- C112 H88 F40 N8 Zn4 -","4","1","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.0557","0.0353","","","0.0797","0.0876","","","","","","1.015","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075488","11.14","0.0003","11.6904","0.0003","15.1739","0.0004","78.78","0.002","80.701","0.002","62.503","0.001","1713.52","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 F10 N2 Zn -","- C40 H30 F10 N2 Zn -","- C80 H60 F20 N4 Zn2 -","2","1","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.046","0.0333","","","0.0733","0.0782","","","","","","1.047","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075489","10.3253","0.0002","13.5674","0.0003","14.9591","0.0003","90","","90","","90","","2095.58","0.07","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H18 F10 N2 Zn -","- C20 H18 F10 N2 Zn -","- C80 H72 F40 N8 Zn4 -","4","0.5","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.034","0.03","","","0.0744","0.0776","","","","","","1.056","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075490","7.075","0.009","18.435","0.009","17.723","0.009","90","","93.84","0.08","90","","2306","3","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 F10 N2 Zn -","- C22 H22 F10 N2 Zn -","- C88 H88 F40 N8 Zn4 -","4","1","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","Mo-Kα","","0.0552","0.0434","","","0.0977","0.1011","","","","","","1.127","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075491","22.8942","0.0006","8.7771","0.0002","16.1559","0.0003","90","","118.437","0.001","90","","2854.73","0.12","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 F10 N2 Zn -","- C30 H26 F10 N2 Zn -","- C120 H104 F40 N8 Zn4 -","4","0.5","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.0317","0.0294","","","0.0756","0.0772","","","","","","1.084","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075492","13.183","0.005","10.707","0.005","13.35","0.005","90","","106.33","0.03","90","","1808.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(?5-cyclopentadienyl)iron(dicarbonyl)hexamethyltrisilacyclopentane","","- C13 H22 Fe O2 Si3 -","- C13 H22 Fe O2 Si3 -","- C52 H88 Fe4 O8 Si12 -","4","1","","Sharma, Hemant K.; Cervantes-Lee, Francisco; Pannell, Keith H.","Photochemical Ring-Contraction of a Tetrasilaferracyclohexane of the (η5-C5H4)Fe(CO)2System to Trisilaferracyclopentanes","Organometallics","2006","25","16","3969","","10.1021/om060320c","","","0.71073","MoKα","","0.0633","0.0426","","","0.0989","0.1103","","","","","","1.014","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075493","13.363","0.002","14.929","0.003","31.447","0.005","90","","98.188","0.003","90","","6209.6","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Eta5-cyclopentadienyl)iron(carbonyl)triphenylphosphine hexamethyltrisilacyclopentane","","- C30 H37 Fe O P Si3 -","- C30 H37 Fe O P Si3 -","- C240 H296 Fe8 O8 P8 Si24 -","8","1","","Sharma, Hemant K.; Cervantes-Lee, Francisco; Pannell, Keith H.","Photochemical Ring-Contraction of a Tetrasilaferracyclohexane of the (η5-C5H4)Fe(CO)2System to Trisilaferracyclopentanes","Organometallics","2006","25","16","3969","","10.1021/om060320c","","","0.71073","MoKα","","0.0827","0.0708","","","0.1572","0.1639","","","","","","1.252","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075494","10.7643","0.0004","18.1469","0.0008","14.5661","0.0007","90","","105.504","0.002","90","","2741.8","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 F2 Ir N2 O2 -","- C35 H25 F2 Ir N2 O2 -","- C140 H100 F8 Ir4 N8 O8 -","4","1","","Yang, Cheng-Hsien; Su, Wei-Lin; Fang, Kai-Hung; Wang, Shao-Pin; Sun, I-Wen","Studies of the 5‘-Substituted Phenylisoquinoline-Based Iridium Complexes Using Density Functional Theory","Organometallics","2006","25","19","4514","","10.1021/om060323p","","","0.71073","MoKα","","0.145","0.0812","","","0.1727","0.2089","","","","","","1.12","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075495","9.4672","0.0005","9.5559","0.0005","18.1476","0.0009","89.988","0.001","81.515","0.001","64.473","0.001","1461.59","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 O12 Os3 Sn -","- C24 H10 O12 Os3 Sn -","- C48 H20 O24 Os6 Sn2 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Cluster Fragmentation and Facile Cleavage of Phenyl Groups from the SnPh3Ligand in Reactions of Os3(CO)11(SnPh3)(μ-H) with CO and HSnPh3","Organometallics","2006","25","17","4183","","10.1021/om0603262","","","0.71073","MoKα","","0.0559","0.0349","","","0.0722","0.09","","","","","","1.043","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075496","32.3449","0.0012","10.1687","0.0004","17.0856","0.0006","90","","110.197","0.001","90","","5274","0.3","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 O16 Os4 Sn -","- C16 O16 Os4 Sn -","- C128 O128 Os32 Sn8 -","8","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Cluster Fragmentation and Facile Cleavage of Phenyl Groups from the SnPh3Ligand in Reactions of Os3(CO)11(SnPh3)(μ-H) with CO and HSnPh3","Organometallics","2006","25","17","4183","","10.1021/om0603262","","","0.71073","MoKα","","0.0516","0.0354","","","0.0693","0.0796","","","","","","1.053","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075497","11.224","0.0003","11.3303","0.0003","16.097","0.0004","93.721","0.001","109.943","0.001","110.146","0.001","1767.59","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H31 O3 Os Sn2 -","- C39 H31 O3 Os Sn2 -","- C78 H62 O6 Os2 Sn4 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Cluster Fragmentation and Facile Cleavage of Phenyl Groups from the SnPh3Ligand in Reactions of Os3(CO)11(SnPh3)(μ-H) with CO and HSnPh3","Organometallics","2006","25","17","4183","","10.1021/om0603262","","","0.71073","MoKα","","0.0232","0.0198","","","0.0496","0.0572","","","","","","1.149","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075498","9.667","0.0004","10.8704","0.0004","11.2785","0.0004","67.827","0.001","88.862","0.001","83.898","0.001","1091.06","0.07","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 O4 Os Sn -","- C22 H16 O4 Os Sn -","- C44 H32 O8 Os2 Sn2 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Cluster Fragmentation and Facile Cleavage of Phenyl Groups from the SnPh3Ligand in Reactions of Os3(CO)11(SnPh3)(μ-H) with CO and HSnPh3","Organometallics","2006","25","17","4183","","10.1021/om0603262","","","0.71073","MoKα","","0.0224","0.0195","","","0.0469","0.0483","","","","","","1.051","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075499","22.2379","0.0011","7.6304","0.0004","10.6537","0.0005","90","","105.292","0.001","90","","1743.76","0.15","86","2","86","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Fec-CH2-triazole-AgNO3 polymer","","","- C16 H16 Ag Fe N7 O3 -","- C16 H16 Ag Fe N7 O3 -","- C64 H64 Ag4 Fe4 N28 O12 -","4","0.5","","Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.","Supramolecular Networks Using Ferrocenyl Ditriazole and Diimidazole Bridges","Organometallics","2006","25","14","3364","","10.1021/om060327u","","","0.71073","MoKα","","0.031","0.0294","","","0.0651","0.0659","","","","","","1.04","","","","has coordinates,has disorder","178643","2020-10-21","18:00:00",""
"4075500","7.0577","0.0003","8.5381","0.0004","15.1071","0.0006","98.342","0.001","92.997","0.001","112.781","0.001","824.56","0.06","86","2","86","2","","","","","","","","6","P -1","-P 1","2","Fec-CH2-triazole-CdCl2)n polymer","","","- C32 H32 Cd Cl2 Fe2 N12 -","- C32 H32 Cd Cl2 Fe2 N12 -","- C32 H32 Cd Cl2 Fe2 N12 -","1","0.5","","Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.","Supramolecular Networks Using Ferrocenyl Ditriazole and Diimidazole Bridges","Organometallics","2006","25","14","3364","","10.1021/om060327u","","","0.71073","MoKα","","0.0327","0.029","","","0.0648","0.0664","","","","","","1.05","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075501","7.3608","0.0004","11.1924","0.0006","12.0129","0.0006","71.008","0.001","75.759","0.001","84.464","0.001","906.91","0.08","86","2","86","2","","","","","","","","6","P -1","-P 1","2","(Fec-CH2-triazole)ZnCl2)n","","","- C16 H16 Cl2 Fe N6 Zn -","- C16 H16 Cl2 Fe N6 Zn -","- C32 H32 Cl4 Fe2 N12 Zn2 -","2","1","","Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.","Supramolecular Networks Using Ferrocenyl Ditriazole and Diimidazole Bridges","Organometallics","2006","25","14","3364","","10.1021/om060327u","","","0.71073","MoKα","","0.0221","0.0211","","","0.0539","0.0545","","","","","","1.024","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075502","14.902","0.001","11.6328","0.0008","13.34","0.001","90","","117.339","0.001","90","","2054.2","0.3","86","2","86","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Fec-CH2-Me-imidazole-ZnCl2)n","","","- C20 H22 Cl2 Fe N4 Zn -","- C20 H22 Cl2 Fe N4 Zn -","- C80 H88 Cl8 Fe4 N16 Zn4 -","4","0.5","","Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.","Supramolecular Networks Using Ferrocenyl Ditriazole and Diimidazole Bridges","Organometallics","2006","25","14","3364","","10.1021/om060327u","","","0.71073","MoKα","","0.0508","0.037","","","0.078","0.0828","","","","","","1.092","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075503","14.4482","0.0005","19.715","0.0009","16.8746","0.0007","90","","102.968","0.003","90","","4684.1","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 B11 Cl2 Fe P3 Sn -","- C42 H50.567 B11 Cl2 Fe P3 Sn -","- C168 H202.268 B44 Cl8 Fe4 P12 Sn4 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)","Organometallics","2006","25","16","3904","","10.1021/om060328m","","","0.71073","MoKα","","0.0482","0.0433","","","0.1007","0.1036","","","","","","1.1","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075504","23.164","0.0008","20.279","0.0009","27.1721","0.001","90","","112.21","0.003","90","","11816.9","0.8","173","2","173","2","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C96 H108 B22 Cl8 Fe2 Mo2 O10 P6 Sn2 -","- C96 H108 B22 Cl8 Fe2 Mo2 O10 P6 Sn2 -","- C384 H432 B88 Cl32 Fe8 Mo8 O40 P24 Sn8 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)","Organometallics","2006","25","16","3904","","10.1021/om060328m","","","0.71073","MoKα","","0.1622","0.0808","","","0.1256","0.1511","","","","","","1.055","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075505","16.7406","0.0006","17.863","0.0005","19.7267","0.0007","90","","90","","90","","5899","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H68 B11 Fe N6 P3 Sn -","- C53 H68 B11 Fe N6 P3 Sn -","- C212 H272 B44 Fe4 N24 P12 Sn4 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)","Organometallics","2006","25","16","3904","","10.1021/om060328m","","","0.71073","MoKα","","0.0812","0.0644","","","0.1166","0.1225","","","","","","1.142","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075506","12.0705","0.0009","13.263","0.001","21.0976","0.0016","76.283","0.006","77.687","0.006","70.274","0.006","3055.7","0.4","173","","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H66 B11 Cr Fe O7 P3 Sn -","- C54 H66 B11 Cr Fe O7 P3 Sn -","- C108 H132 B22 Cr2 Fe2 O14 P6 Sn2 -","2","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)","Organometallics","2006","25","16","3904","","10.1021/om060328m","","","0.71073","MoKα","","0.1241","0.0812","","","0.1503","0.1692","","","","","","1.16","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075507","13.7646","0.0006","20.3159","0.0009","21.7745","0.0011","90","","102.298","0.004","90","","5949.3","0.5","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 B11 Cl4 Fe O5 P3 Sn W -","- C48 H54 B11 Cl4 Fe O5 P3 Sn W -","- C192 H216 B44 Cl16 Fe4 O20 P12 Sn4 W4 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)","Organometallics","2006","25","16","3904","","10.1021/om060328m","","","0.71073","MoKα","","0.0962","0.0605","","","0.1148","0.1278","","","","","","1.052","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075508","15.4404","0.0004","14.5893","0.0005","18.4586","0.0005","90","","90","","90","","4158.1","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H40 Li N3 Zn -","- C17 H40 Li N3 Zn -","- C136 H320 Li8 N24 Zn8 -","8","1","","Graham, David V.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.","Lithium Dimethyl(amido)zinc Complexes: Contrasting Zincate (Amido = TMP) and Inverse Zincate (Amido = HMDS) Structures on Addition of TMEDA","Organometallics","2006","25","14","3297","","10.1021/om060334i","","","0.71073","MoKα","","0.102","0.0414","","","0.0664","0.0806","","","","","","1.006","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075509","11.3371","0.0003","19.7104","0.0005","15.9168","0.0004","90","","103.807","0.002","90","","3453.98","0.16","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H58 Li2 N4 Si4 Zn -","- C20 H58 Li2 N4 Si4 Zn -","- C80 H232 Li8 N16 Si16 Zn4 -","4","1","","Graham, David V.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.","Lithium Dimethyl(amido)zinc Complexes: Contrasting Zincate (Amido = TMP) and Inverse Zincate (Amido = HMDS) Structures on Addition of TMEDA","Organometallics","2006","25","14","3297","","10.1021/om060334i","","","0.71073","MoKα","","0.0586","0.0362","","","0.0762","0.0863","","","","","","1.028","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075510","21.656","0.003","15.7285","0.0013","8.4351","0.0009","90","","90","","90","","2873.1","0.6","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H30 Cu2 I2 Mo2 S4 -","- C20 H30 Cu2 I2 Mo2 S4 -","- C80 H120 Cu8 I8 Mo8 S16 -","4","0.5","","Ren, Zhi-Gang; Li, Hong-Xi; Liu, Guang-Fei; Zhang, Wen-Hua; Lang, Jian-Ping; Zhang, Yong; Song, Ying-Lin","Synthesis of Two Heterobimetallic Cluster Isomers [(η5-C5Me5)2Mo2(μ3-S)3S(CuI)2] and [(η5-C5Me5)2Mo2(μ3-S)4(CuI)2] fromtrans-[(η5-C5Me5)2Mo2(μ-S)2S2] and Theirtrans-to-cisIsomerization, Structures, and Third-Order NLO Properties","Organometallics","2006","25","18","4351","","10.1021/om060335a","","","0.7107","MoKα","","0.0263","0.0244","","","0.0501","0.0508","","","","","","1.227","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075511","8.9036","0.0018","10.776","0.002","20.028","0.004","83.35","0.03","87.73","0.03","68.51","0.03","1776","0.7","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H34 Cl4 Cu2 I2 Mo2 S4 -","- C22 H34 Cl4 Cu2 I2 Mo2 S4 -","- C44 H68 Cl8 Cu4 I4 Mo4 S8 -","2","1","","Ren, Zhi-Gang; Li, Hong-Xi; Liu, Guang-Fei; Zhang, Wen-Hua; Lang, Jian-Ping; Zhang, Yong; Song, Ying-Lin","Synthesis of Two Heterobimetallic Cluster Isomers [(η5-C5Me5)2Mo2(μ3-S)3S(CuI)2] and [(η5-C5Me5)2Mo2(μ3-S)4(CuI)2] fromtrans-[(η5-C5Me5)2Mo2(μ-S)2S2] and Theirtrans-to-cisIsomerization, Structures, and Third-Order NLO Properties","Organometallics","2006","25","18","4351","","10.1021/om060335a","","","0.71073","MoKα","","0.0417","0.0349","","","0.0813","0.086","","","","","","1.07","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075512","10.1149","0.0009","12.7796","0.0012","18.645","0.0017","106.17","0.002","90.244","0.002","100.614","0.002","2271.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H63 Li Mg O3 -","- C41 H63 Li Mg O3 -","- C82 H126 Li2 Mg2 O6 -","2","1","","Hsueh, Mao-Lin; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh; Wu, Tzong-Ming; Hsu, Sung-Fu","Synthesis, Structure, and Catalytic Studies of Mixed Lithium−Magnesium and Sodium−Magnesium Complexes: Highly Isospecific Initiators for Polymerization of Methyl Methacrylate","Organometallics","2006","25","17","4144","","10.1021/om0603363","","","0.71073","MoKα","","0.1501","0.0857","","","0.2349","0.2759","","","","","","1.033","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075513","23.051","0.002","17.2273","0.0016","24.441","0.002","90","","109.371","0.002","90","","9156.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H134 Li2 Mg2 O8 -","- C90 H134 Li2 Mg2 O8 -","- C360 H536 Li8 Mg8 O32 -","4","1","","Hsueh, Mao-Lin; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh; Wu, Tzong-Ming; Hsu, Sung-Fu","Synthesis, Structure, and Catalytic Studies of Mixed Lithium−Magnesium and Sodium−Magnesium Complexes: Highly Isospecific Initiators for Polymerization of Methyl Methacrylate","Organometallics","2006","25","17","4144","","10.1021/om0603363","","","0.71073","MoKα","","0.2124","0.0631","","","0.1327","0.1664","","","","","","0.964","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075514","36.162","0.003","14.5967","0.001","28.07","0.002","90","","101.804","0.002","90","","14503.3","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H93 Na4 O4.5 -","- C62 H93 Na4 O4.5 -","- C496 H744 Na32 O36 -","8","1","","Hsueh, Mao-Lin; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh; Wu, Tzong-Ming; Hsu, Sung-Fu","Synthesis, Structure, and Catalytic Studies of Mixed Lithium−Magnesium and Sodium−Magnesium Complexes: Highly Isospecific Initiators for Polymerization of Methyl Methacrylate","Organometallics","2006","25","17","4144","","10.1021/om0603363","","","0.71073","MoKα","","0.1198","0.0688","","","0.1818","0.2099","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075515","20.7678","0.0012","21.2375","0.0011","18.4101","0.0011","90","","90","","90","","8119.9","0.8","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H63 Mg Na O3 -","- C38 H63 Mg Na O3 -","- C304 H504 Mg8 Na8 O24 -","8","1","","Hsueh, Mao-Lin; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh; Wu, Tzong-Ming; Hsu, Sung-Fu","Synthesis, Structure, and Catalytic Studies of Mixed Lithium−Magnesium and Sodium−Magnesium Complexes: Highly Isospecific Initiators for Polymerization of Methyl Methacrylate","Organometallics","2006","25","17","4144","","10.1021/om0603363","","","0.71073","MoKα","","0.1418","0.0648","","","0.1723","0.2054","","","","","","1.013","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075516","15.6626","0.001","12.1938","0.0007","13.3061","0.0008","90","","111.5","0.001","90","","2364.5","0.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 B N7 O2 P W -","- C20 H29 B N7 O2 P W -","- C80 H116 B4 N28 O8 P4 W4 -","4","1","","Todd, Michael A.; Grachan, Melissa L.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Common Electrophilic Addition Reactions at the Phenol Ring: The Chemistry of TpW(NO)(PMe3)(η2-phenol)","Organometallics","2006","25","16","3948","","10.1021/om060339f","","","0.71073","MoKα","","0.039","0.0325","","","0.076","0.0786","","","","","","1.062","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075517","10.0602","0.0006","10.2513","0.0006","25.4342","0.0016","90","","94.955","0.001","90","","2613.2","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 B N7 O2 P W -","- C25 H29 B N7 O2 P W -","- C100 H116 B4 N28 O8 P4 W4 -","4","1","","Todd, Michael A.; Grachan, Melissa L.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Common Electrophilic Addition Reactions at the Phenol Ring: The Chemistry of TpW(NO)(PMe3)(η2-phenol)","Organometallics","2006","25","16","3948","","10.1021/om060339f","","","0.71073","MoKα","","0.0665","0.0387","","","0.0622","0.0665","","","","","","0.811","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075518","12.96","0.001","14.822","0.0011","20.9965","0.0016","90","","90","","90","","4033.3","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H71 O2 P4 Rh -","- C37 H71 O2 P4 Rh -","- C148 H284 O8 P16 Rh4 -","4","1","","Axtell, Alex T.; Klosin, Jerzy; Abboud, Khalil A.","Evaluation of Asymmetric Hydrogenation Ligands in Asymmetric Hydroformylation Reactions. Highly Enantioselective Ligands Based on Bis-phosphacycles","Organometallics","2006","25","21","5003","","10.1021/om060340e","","","0.71073","MoKα","","0.0839","0.0567","","","0.1241","0.1357","","","","","","1","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075519","11.0103","0.0004","11.0103","0.0004","33.178","0.003","90","","90","","120","","3483.2","0.4","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C21 H39 O2 P2 Rh -","- C21 H39 O2 P2 Rh -","- C126 H234 O12 P12 Rh6 -","6","1","","Axtell, Alex T.; Klosin, Jerzy; Abboud, Khalil A.","Evaluation of Asymmetric Hydrogenation Ligands in Asymmetric Hydroformylation Reactions. Highly Enantioselective Ligands Based on Bis-phosphacycles","Organometallics","2006","25","21","5003","","10.1021/om060340e","","","0.71073","MoKα","","0.0304","0.027","","","0.0561","0.057","","","","","","1.063","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075520","10.819","0.0003","10.464","0.0004","20.272","0.0006","90","","101.693","0.002","90","","2247.37","0.13","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","ana100","","","- C50 H34 F10 P2 Pt -","- C50 H34 F10 P2 Pt -","- C100 H68 F20 P4 Pt2 -","2","1","","García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Contrasting Thermal and Photochemical Intramolecular Coupling in Alkynylphosphine Platinum(II) Complexes","Organometallics","2006","25","16","3926","","10.1021/om060342z","","","0.71073","MoKα","","0.0407","0.0349","","","0.0788","0.0823","","","","","","1.077","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075521","11.0706","0.0002","17.8513","0.0003","11.1888","0.0002","90","","93.491","0.001","90","","2207.08","0.07","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","agf41","","","- C48 H38 F10 P2 Pt -","- C48 H38 F10 P2 Pt -","- C96 H76 F20 P4 Pt2 -","2","0.5","","García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Contrasting Thermal and Photochemical Intramolecular Coupling in Alkynylphosphine Platinum(II) Complexes","Organometallics","2006","25","16","3926","","10.1021/om060342z","","","0.71073","MoKα","","0.0554","0.0314","","","0.0705","0.0779","","","","","","1.036","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075522","11.7815","0.0002","12.7708","0.0003","15.9553","0.0004","73.604","0.001","83.716","0.001","71.13","0.001","2178.79","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","ana156","","","- C45 H27 Cl3 F10 P2 Pt -","- C45 H27 Cl3 F10 P2 Pt -","- C90 H54 Cl6 F20 P4 Pt2 -","2","1","","García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Contrasting Thermal and Photochemical Intramolecular Coupling in Alkynylphosphine Platinum(II) Complexes","Organometallics","2006","25","16","3926","","10.1021/om060342z","","","0.71073","MoKα","","0.0676","0.0485","","","0.1144","0.1261","","","","","","1.026","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075523","10.6341","0.0002","15.9946","0.0003","22.678","0.0004","90","","91.355","0.001","90","","3856.18","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ana145","","","- C44 H26 F10 P2 Pt -","- C44 H26 F10 P2 Pt -","- C176 H104 F40 P8 Pt4 -","4","1","","García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Contrasting Thermal and Photochemical Intramolecular Coupling in Alkynylphosphine Platinum(II) Complexes","Organometallics","2006","25","16","3926","","10.1021/om060342z","","","0.71073","MoKα","","0.0838","0.0429","","","0.068","0.0788","","","","","","1.05","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075524","14.894","0.0006","15.0136","0.0006","23.2831","0.0009","90","","104.5","0.001","90","","5040.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 I Ir N2 -","- C27 H30 I Ir N2 -","- C216 H240 I8 Ir8 N16 -","8","2","","Corberán, Rosa; Sanaú, Mercedes; Peris, Eduardo","Aliphatic and Aromatic Intramolecular C−H Activation on Cp*Ir(NHC) Complexes","Organometallics","2006","25","16","4002","","10.1021/om060343r","","","0.71073","MoKα","","0.1487","0.0539","","","0.0965","0.1215","","","","","","0.953","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075525","11.3533","0.0009","8.4587","0.0006","26.431","0.002","90","","98.643","0.002","90","","2509.5","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 I Ir N2 -","- C27 H30 I Ir N2 -","- C108 H120 I4 Ir4 N8 -","4","1","","Corberán, Rosa; Sanaú, Mercedes; Peris, Eduardo","Aliphatic and Aromatic Intramolecular C−H Activation on Cp*Ir(NHC) Complexes","Organometallics","2006","25","16","4002","","10.1021/om060343r","","","0.71073","MoKα","","0.0392","0.0262","","","0.0512","0.0549","","","","","","1.037","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075526","9.4872","0.0006","21.0737","0.0013","11.7786","0.0007","90","","90.959","0.002","90","","2354.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl Ir N2 -","- C24 H32 Cl Ir N2 -","- C96 H128 Cl4 Ir4 N8 -","4","1","","Corberán, Rosa; Sanaú, Mercedes; Peris, Eduardo","Aliphatic and Aromatic Intramolecular C−H Activation on Cp*Ir(NHC) Complexes","Organometallics","2006","25","16","4002","","10.1021/om060343r","","","0.71073","MoKα","","0.1078","0.047","","","0.0774","0.0914","","","","","","0.992","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075527","10.049","0.003","17.105","0.004","17.623","0.01","90","","95.5","0.04","90","","3015","2","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H37 N2 O7 P Si2 W -","- C23 H37 N2 O7 P Si2 W -","- C92 H148 N8 O28 P4 Si8 W4 -","4","1","","Streubel, Rainer; Wilkens, Hendrik; Ruthe, Frank; Jones, Peter G.","1,2-Azaphosphol-5-ene Complexes through Metal-Assisted Synthesis","Organometallics","2006","25","20","4830","","10.1021/om060344j","","","0.71073","MoKα","","0.0422","0.0329","","","0.0768","0.0822","","","","","","1.035","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075528","11.714","0.0006","13.5611","0.0007","25.5245","0.0012","90","","97.55","0.001","90","","4019.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[RuCp(IPri)(CH3CN)2]PF6.CH3CN","","","- C38 H50 F6 N5 P Ru -","- C38 H50 F6 N5 P Ru -","- C152 H200 F24 N20 P4 Ru4 -","4","1","","Becker, Eva; Stingl, Verena; Mereiter, Kurt; Kirchner, Karl","Formation of a Half-Sandwich Triscarbene Ruthenium Complex: Oxidative Coupling of 2,7-Nonadiyne Mediated by [RuCp(IPri)(CH3CN)2]+(IPri= 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)","Organometallics","2006","25","17","4166","","10.1021/om060345b","","","0.71073","MoKα","","0.0376","0.0321","","","0.0853","0.0902","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075529","12.6022","0.0006","25.3077","0.0012","13.293","0.0006","90","","100.426","0.001","90","","4169.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[RuCp(IPri)(=C2(CH3)2C2(CH2)3)]PF6.CH2Cl2","","","- C42 H55 Cl2 F6 N2 P Ru -","- C42 H54.686 Cl2.12 F6 N2 P Ru -","- C168 H218.744 Cl8.48 F24 N8 P4 Ru4 -","4","1","","Becker, Eva; Stingl, Verena; Mereiter, Kurt; Kirchner, Karl","Formation of a Half-Sandwich Triscarbene Ruthenium Complex: Oxidative Coupling of 2,7-Nonadiyne Mediated by [RuCp(IPri)(CH3CN)2]+(IPri= 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)","Organometallics","2006","25","17","4166","","10.1021/om060345b","","","0.71073","MoKα","","0.0339","0.0304","","","0.076","0.0783","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075530","17.4698","0.0008","24.6082","0.0011","7.3072","0.0003","90","","90","","90","","3141.4","0.2","136","2","136","2","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C21 H26 -","- C21 H26 -","- C168 H208 -","8","1","","Bazinet, Patrick; Tupper, Karl A.; Tilley, T. Don","Octa- and Nonamethylfluorene and an Electron-Rich Permethylfluorenyl Ruthenocene Derivative","Organometallics","2006","25","18","4286","","10.1021/om0603464","","","0.71073","MoKα","","0.0524","0.0387","","","0.0955","0.0988","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075531","23.89","0.02","9.191","0.009","15.89","0.014","90","","101.06","0.02","90","","3424","5","157","2","157","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 -","- C22 H28 -","- C176 H224 -","8","1","","Bazinet, Patrick; Tupper, Karl A.; Tilley, T. Don","Octa- and Nonamethylfluorene and an Electron-Rich Permethylfluorenyl Ruthenocene Derivative","Organometallics","2006","25","18","4286","","10.1021/om0603464","","","0.71073","MoKα","","0.1228","0.0762","","","0.2175","0.2476","","","","","","1.219","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075532","11.262","0.003","31.713","0.01","7.774","0.002","90","","113.492","0.004","90","","2546.4","1.2","127","2","127","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C32 H42 Ru -","- C32 H42 Ru -","- C128 H168 Ru4 -","4","1","","Bazinet, Patrick; Tupper, Karl A.; Tilley, T. Don","Octa- and Nonamethylfluorene and an Electron-Rich Permethylfluorenyl Ruthenocene Derivative","Organometallics","2006","25","18","4286","","10.1021/om0603464","","","0.71073","MoKα","","0.0368","0.0343","","","0.0876","0.0899","","","","","","1.07","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075533","8.551","0.009","9.521","0.009","9.873","0.011","91.59","0.02","91.034","0.02","94.29","0.02","801.1","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H30 Cl P Pd -","- C13 H30 Cl P Pd -","- C26 H60 Cl2 P2 Pd2 -","2","1","","Yamashita, Makoto; Takamiya, Ikuko; Jin, Koichiro; Nozaki, Kyoko","Syntheses and Structures of Bulky Monophosphine-Ligated Methylpalladium Complexes: Application to Homo- and Copolymerization of Norbornene and/or Methoxycarbonylnorbornene","Organometallics","2006","25","19","4588","","10.1021/om060347w","","","0.7107","MoKα","","0.0322","0.0315","","","0.0916","0.0918","","","","","","1.213","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075534","9.385","0.018","10.88","0.02","11.97","0.02","81.62","0.09","80.91","0.09","83.78","0.09","1189","4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Cl4 P Pd -","- C23 H25 Cl4 P Pd -","- C46 H50 Cl8 P2 Pd2 -","2","1","","Yamashita, Makoto; Takamiya, Ikuko; Jin, Koichiro; Nozaki, Kyoko","Syntheses and Structures of Bulky Monophosphine-Ligated Methylpalladium Complexes: Application to Homo- and Copolymerization of Norbornene and/or Methoxycarbonylnorbornene","Organometallics","2006","25","19","4588","","10.1021/om060347w","","","0.7107","MoKα","","0.0398","0.0357","","","0.0809","0.0823","","","","","","0.961","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075535","8.0898","0.001","16.728","0.0013","14.8439","0.0018","90","0.0013","104.996","0.0015","90","0.0013","1940.4","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 F3 O3 P Pd S -","- C14 H30 F3 O3 P Pd S -","- C56 H120 F12 O12 P4 Pd4 S4 -","4","1","","Yamashita, Makoto; Takamiya, Ikuko; Jin, Koichiro; Nozaki, Kyoko","Syntheses and Structures of Bulky Monophosphine-Ligated Methylpalladium Complexes: Application to Homo- and Copolymerization of Norbornene and/or Methoxycarbonylnorbornene","Organometallics","2006","25","19","4588","","10.1021/om060347w","","","0.7107","MoKα","","0.023","0.0219","","","0.0522","0.0528","","","","","","1.078","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075536","9.727","0.002","10.568","0.002","13.079","0.003","67.835","0.011","74.702","0.012","72.953","0.011","1172.4","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H24 F3 O3 P Pd S -","- C23 H24 F3 O3 P Pd S -","- C46 H48 F6 O6 P2 Pd2 S2 -","2","1","","Yamashita, Makoto; Takamiya, Ikuko; Jin, Koichiro; Nozaki, Kyoko","Syntheses and Structures of Bulky Monophosphine-Ligated Methylpalladium Complexes: Application to Homo- and Copolymerization of Norbornene and/or Methoxycarbonylnorbornene","Organometallics","2006","25","19","4588","","10.1021/om060347w","","","0.7107","MoKα","","0.0211","0.0202","","","0.0519","0.0524","","","","","","1.055","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075537","8.2756","0.0005","15.8362","0.0009","16.2107","0.001","110.21","0.001","92.539","0.001","103.155","0.001","1923.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","bis-(eta2-corannulene)-tetracarbonyl-bis(trifluoroacetato-O,O')-diruthenium(I,I)","","- C48 H20 F6 O8 Ru2 -","- C48 H20 F6 O8 Ru2 -","- C96 H40 F12 O16 Ru4 -","2","1","","Petrukhina, Marina A.; Sevryugina, Yulia; Rogachev, Andrey Yu.; Jackson, Edward A.; Scott, Lawrence T.","Corannulene: A Preference forexo-Metal Binding. X-ray Structural Characterization of [Ru2(O2CCF3)2(CO)4·(η2-C20H10)2]","Organometallics","2006","25","22","5492","","10.1021/om060350f","","","0.71073","MoKα","","0.0378","0.0322","","","0.0792","0.0822","","","","","","1.006","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075538","12.6336","0.0009","13.1083","0.0009","30.389","0.002","80.198","0.001","83.597","0.001","75.799","0.001","4794.7","0.6","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C105 H89 F6 N O9 P4 Pd2 S2 -","- C105 H89 F6 N O9 P4 Pd2 S2 -","- C210 H178 F12 N2 O18 P8 Pd4 S4 -","2","1","","Nama, Devendrababu; Schott, Daniele; Pregosin, Paul S.; Veiros, L. F.; Calhorda, M. J.","Diffusion and Overhauser NMR Studies on Dicationic Palladium Complexes of BINAP","Organometallics","2006","25","19","4596","","10.1021/om0603518","","","0.71073","MoKα","","0.1065","0.0763","","","0.2088","0.2294","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075539","10.976","0.004","16.162","0.004","19.627","0.004","71.845","0.008","89.785","0.008","77.397","0.008","3220.9","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 F12 O2 P2 Sn -","- C24 H40 F12 O2 P2 Sn -","- C96 H160 F48 O8 P8 Sn4 -","4","2","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71073","MoKα","","0.0649","0.0522","","","0.1425","0.151","","","","","","1.051","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075540","29.6783","0.0015","11.4441","0.0006","20.1419","0.001","90","","95.619","0.001","90","","6808.2","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 F12 O2 P2 S2 Sn -","- C24 H40 F12 O2 P2 S2 Sn -","- C192 H320 F96 O16 P16 S16 Sn8 -","8","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71073","MoKα","","0.0506","0.0338","","","0.0733","0.0802","","","","","","1.049","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075541","18.8933","0.0007","15.6929","0.0016","10.9181","0.0017","90","","104.105","0.004","90","","3139.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 F6 O2 P -","- C12 H21 F6 O2 P -","- C96 H168 F48 O16 P8 -","8","2","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.7107","MoKα","","0.0918","0.0576","","","0.1383","0.1499","","","","","","1.076","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075542","21.039","0.003","9.5275","0.0016","17.94","0.003","90","","92.505","0.002","90","","3592.6","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H40 F12 O4 P2 Sn -","- C27.52 H40 F12 O4 P2 Sn -","- C110.08 H160 F48 O16 P8 Sn4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71073","MoKα","","0.0495","0.0348","","","0.0828","0.0919","","","","","","0.948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075543","10.4018","0.0018","11.635","0.002","17.737","0.003","81.55","0.002","77.711","0.002","81.393","0.002","2059","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H55 F12 N3 O2 P2 Sn -","- C34 H55 F12 N3 O2 P2 Sn -","- C68 H110 F24 N6 O4 P4 Sn2 -","2","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71069","MoKα","","0.1015","0.0572","","","0.1226","0.1439","","","","","","0.985","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075544","10.7537","0.001","16.0182","0.0015","19.8424","0.0018","71.33","0.001","89.796","0.002","80.542","0.002","3189.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 F12 Ge O2 P2 -","- C24 H40 F12 Ge O2 P2 -","- C96 H160 F48 Ge4 O8 P8 -","4","2","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71073","MoKα","","0.0904","0.0601","","","0.1652","0.1794","","","","","","1.016","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075545","14.454","0.002","9.541","0.0017","20.829","0.004","90","","107.053","0.004","90","","2746.1","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 F12 Ge N O2 P2 -","- C20 H31 F12 Ge N O2 P2 -","- C80 H124 F48 Ge4 N4 O8 P8 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71073","MoKα","","0.1225","0.0575","","","0.1191","0.1468","","","","","","0.963","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075546","25.888","0.005","9.7436","0.0019","21.499","0.004","90","0.03","108.26","0.03","90","0.03","5149.9","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H41 F6 Ge N O1.5 P -","- C24.5 H35 F6 Ge N O1.5 P -","- C196 H280 F48 Ge8 N8 O12 P8 -","8","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71073","MoKα","","0.0995","0.0536","","","0.1184","0.1326","","","","","","0.898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075547","8.5623","0.0013","16.439","0.003","16.93","0.003","90","","98.101","0.002","90","","2359.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 F6 N O P -","- C22 H36 F6 N O P -","- C88 H144 F24 N4 O4 P4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71073","MoKα","","0.0669","0.0467","","","0.116","0.129","","","","","","1.039","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075548","8.147","0.005","10.658","0.005","13.759","0.005","77.278","0.005","76.152","0.005","70.892","0.005","1082.9","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(2-Me)C6H4CH2Co(dmgH)2Py","trans-bis(dimethylglyoximato)-ortho-methyl-benzyl-(pyridine)-cobalt(III)","","- C21 H28 Co N5 O4 -","- C21 H28 Co N5 O4 -","- C42 H56 Co2 N10 O8 -","2","1","","Mandal, Debaprasad; Gupta, B. D.","Hindered Rotation Leading to Nonequivalence in Cobaloximes","Organometallics","2006","25","14","3305","","10.1021/om060357x","","","0.71073","MoKα","","0.1033","0.0547","","","0.1224","0.1361","","","","","","0.933","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075549","10.0739","0.0014","11.3738","0.0016","12.1513","0.0017","110.607","0.002","100.011","0.002","109.289","0.002","1161.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-napthyl-Co(dmgH)2Py","2-Napthyl-bis(dimethylglyoximeto)(pyridine)cobalt(III)","","- C24 H28 Co N5 O4 -","- C24 H28 Co N5 O4 -","- C48 H56 Co2 N10 O8 -","2","1","","Mandal, Debaprasad; Gupta, B. D.","Hindered Rotation Leading to Nonequivalence in Cobaloximes","Organometallics","2006","25","14","3305","","10.1021/om060357x","","","0.71073","MoKα","","0.1147","0.0897","","","0.2085","0.2241","","","","","","1.04","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075550","12.499","0.0011","13.1051","0.0011","19.24","0.002","98.997","0.001","99.35","0.001","116.194","0.001","2696.1","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H20 Ag2 F36 N6 -","- C46 H20 Ag2 F36 N6 -","- C92 H40 Ag4 F72 N12 -","2","1","","Chiong, Hendrich A.; Daugulis, Olafs","Monomeric Silver(I) β-Diketiminate Complexes","Organometallics","2006","25","17","4054","","10.1021/om0603621","","","0.71073","MoKα","","0.061","0.0531","","","0.1306","0.1388","","","","","","1.003","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075551","22.3715","0.0013","10.3286","0.0006","25.7565","0.0015","90","","91.367","0.001","90","","5949.8","0.6","223","2","223","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H14 Ag F18 N2 -","- C26 H14 Ag F18 N2 -","- C208 H112 Ag8 F144 N16 -","8","2","","Chiong, Hendrich A.; Daugulis, Olafs","Monomeric Silver(I) β-Diketiminate Complexes","Organometallics","2006","25","17","4054","","10.1021/om0603621","","","0.71073","MoKα","","0.0858","0.0623","","","0.1416","0.1666","","","","","","1.147","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075552","11.9423","0.0009","13.0201","0.001","14.6125","0.0011","85.74","0.001","75.357","0.001","63.587","0.001","1966.9","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H22 Ag F18 N2 P -","- C39 H22 Ag F18 N2 P -","- C78 H44 Ag2 F36 N4 P2 -","2","1","","Chiong, Hendrich A.; Daugulis, Olafs","Monomeric Silver(I) β-Diketiminate Complexes","Organometallics","2006","25","17","4054","","10.1021/om0603621","","","0.71073","MoKα","","0.0592","0.0534","","","0.134","0.14","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075553","10.5729","0.0013","13.5428","0.0017","17.4597","0.0021","103.561","0.002","92.768","0.002","109.991","0.002","2261.2","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H59 Ag Cl2 N4 -","- C47 H59 Ag Cl2 N4 -","- C94 H118 Ag2 Cl4 N8 -","2","1","","Chiong, Hendrich A.; Daugulis, Olafs","Monomeric Silver(I) β-Diketiminate Complexes","Organometallics","2006","25","17","4054","","10.1021/om0603621","","","0.71073","MoKα","","0.0736","0.045","","","0.1199","0.1388","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075554","11.086","0.0002","17.6453","0.0004","12.0116","0.0003","90","","111.831","0.0013","90","","2181.15","0.09","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Sn -","- C25 H36 Sn -","- C100 H144 Sn4 -","4","1","","Moss, James; Thomas, Jemima; Ashley, Andrew; Cowley, Andrew R.; O'Hare, Dermot","Bulk Synthesis of Octa- and Nonamethylfluorene (Flu‘ ‘H and Flu*H) and the Characterization of the Organometallic Derivatives Flu*SnMe3, [(FeCp)2Flu*H][PF6]2, and [(FeCp)2Flu‘ ‘H][PF6]2","Organometallics","2006","25","18","4279","","10.1021/om0603666","","","0.71073","MoKα","","0.0482","0.031","","0.053","0.034","0.034","","","","","","1.1174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075555","13.3125","0.0003","17.3087","0.0005","6.7634","0.0002","90","","98.294","0.0012","90","","1542.14","0.07","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","C 1 2/m 1","-C 2y","12","","","","- C31 H36 F12 Fe2 P2 -","- C31 H36 F12 Fe2 P2 -","- C62 H72 F24 Fe4 P4 -","2","0.25","","Moss, James; Thomas, Jemima; Ashley, Andrew; Cowley, Andrew R.; O'Hare, Dermot","Bulk Synthesis of Octa- and Nonamethylfluorene (Flu‘ ‘H and Flu*H) and the Characterization of the Organometallic Derivatives Flu*SnMe3, [(FeCp)2Flu*H][PF6]2, and [(FeCp)2Flu‘ ‘H][PF6]2","Organometallics","2006","25","18","4279","","10.1021/om0603666","","","0.71073","MoKα","","0.0592","0.0485","","0.0648","0.0585","0.0585","","","","","","1.0821","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075556","10.2301","0.0004","19.895","0.0007","17.3484","0.0006","90","","94.168","0.001","90","","3521.5","0.2","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MeLZn2(OC(=CMe2)iPr)2 (2a)","","","- C34 H52 N4 O3 Zn2 -","- C34 H52 N4 O3 Zn2 -","- C136 H208 N16 O12 Zn8 -","4","1","","Hlavinka, Mark L.; Hagadorn, John R.","Structures of Zinc Ketone Enolates","Organometallics","2006","25","14","3501","","10.1021/om060367y","","","0.71073","MoKα","","0.0932","0.0515","","","0.1082","0.1238","","","","","","1.005","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075557","18.6748","0.0005","13.3529","0.0004","16.9723","0.0004","90","","90","","90","","4232.3","0.2","147","2","147","2","","","","","","","","5","P n a 21","P 2c -2n","33","iPrLZn2(OC(=CMe2)iPr)2 (2b)","","","- C42 H68 N4 O3 Zn2 -","- C42 H68 N4 O3 Zn2 -","- C168 H272 N16 O12 Zn8 -","4","1","","Hlavinka, Mark L.; Hagadorn, John R.","Structures of Zinc Ketone Enolates","Organometallics","2006","25","14","3501","","10.1021/om060367y","","","0.71073","MoKα","","0.0837","0.0527","","","0.107","0.1187","","","","","","1.007","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075558","32.9488","0.0012","19.2436","0.0007","19.7699","0.0007","90","","121.501","0.001","90","","10687.9","0.7","145","2","145","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","iPrLZn2(OC(=CH2)C6Me5)2 (4b)","","","- C57.5 H80 N4 O3 Zn2 -","- C57.5 H80 N4 O3 Zn2 -","- C460 H640 N32 O24 Zn16 -","8","1","","Hlavinka, Mark L.; Hagadorn, John R.","Structures of Zinc Ketone Enolates","Organometallics","2006","25","14","3501","","10.1021/om060367y","","","0.71073","MoKα","","0.0874","0.0564","","","0.1438","0.1619","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075559","12.7806","0.0001","14.2076","0.0001","17.5955","0.0001","90","","108.038","0.0003","90","","3037.98","0.04","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H43 Cl O2 Si Ti -","- C31 H43 Cl O2 Si Ti -","- C124 H172 Cl4 O8 Si4 Ti4 -","4","1","","González-Maupoey, Marta; Cuenca, Tomás; Herdtweck, Eberhardt","Monocyclopentadienyl Chloro Bisphenoxo Ti(η5-C5H4SiMe2Cl)(η2-MBMP)Cl Derivative: Ti−Cl, Ti−O, and Si−Cl Reactivity. Crystal Structure of Ti(η5-C5H4SiMe3)(η2-MBMP)Cl and Ti(η5-C5H4SiMe2-η1-MBMP)(CH2Ph)2","Organometallics","2006","25","18","4358","","10.1021/om060368q","","","0.71073","MoKα","","0.0388","0.0306","","","0.0739","0.0773","","","","","","1.035","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075560","16.2785","0.0002","16.9519","0.0002","27.6714","0.0005","90","","90","","90","","7635.96","0.19","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H54 O2 Si Ti -","- C44 H54 O2 Si Ti -","- C352 H432 O16 Si8 Ti8 -","8","1","","González-Maupoey, Marta; Cuenca, Tomás; Herdtweck, Eberhardt","Monocyclopentadienyl Chloro Bisphenoxo Ti(η5-C5H4SiMe2Cl)(η2-MBMP)Cl Derivative: Ti−Cl, Ti−O, and Si−Cl Reactivity. Crystal Structure of Ti(η5-C5H4SiMe3)(η2-MBMP)Cl and Ti(η5-C5H4SiMe2-η1-MBMP)(CH2Ph)2","Organometallics","2006","25","18","4358","","10.1021/om060368q","","","0.71073","MoKα","","0.0783","0.061","","","0.1089","0.1146","","","","","","1.204","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075561","9.581","0.002","9.2854","0.0014","12.74","0.003","90","","91.947","0.019","90","","1132.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 N O Zn -","- C11 H15 N O Zn -","- C44 H60 N4 O4 Zn4 -","4","1","","Meyer, Nils; Löhnwitz, Karolin; Zulys, Agustino; Roesky, Peter W.; Dochnahl, Maximilian; Blechert, Siegfried","Aminotroponate Zinc Complexes as Catalysts for the Intramolecular Hydroamination of Alkenes and Alkynes","Organometallics","2006","25","15","3730","","10.1021/om060369i","","","0.71073","MoKα","","0.0453","0.0353","","","0.0563","0.0567","","","","","","2.515","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075562","8.2534","0.001","8.7691","0.0011","9.6387","0.0013","77.741","0.01","87.096","0.011","61.936","0.009","600.56","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 N O Zn -","- C12 H17 N O Zn -","- C24 H34 N2 O2 Zn2 -","2","1","","Meyer, Nils; Löhnwitz, Karolin; Zulys, Agustino; Roesky, Peter W.; Dochnahl, Maximilian; Blechert, Siegfried","Aminotroponate Zinc Complexes as Catalysts for the Intramolecular Hydroamination of Alkenes and Alkynes","Organometallics","2006","25","15","3730","","10.1021/om060369i","","","0.71073","MoKα","","0.0321","0.0257","","","0.0598","0.0619","","","","","","1.028","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075563","10.3289","0.0006","13.7759","0.0008","22.9406","0.0013","90","","102.81","0.001","90","","3183","0.3","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 O4 P2 W -","- C37 H30 O4 P2 W -","- C148 H120 O16 P8 W4 -","4","1","","Shiue, Tsun-Wei; Yeh, Wen-Yann; Lee, Gene-Hsiang; Peng, Shie-Ming","Synthesis of Ph2PC⋮C(CH2)5C⋮CPPh2Ligand and Its Complexation with Tungsten Carbonyls to Form a Dinuclear Paddle-Wheel and a Tetranuclear Tripodal Compound","Organometallics","2006","25","17","4150","","10.1021/om0603722","","","0.71073","MoKα","","0.0239","0.0224","","","0.05","0.0506","","","","","","1.117","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075564","21.1762","0.0006","22.3612","0.0006","41.0111","0.001","90","","90.3001","0.0008","90","","19419.5","0.9","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109.5 H101 Cl O7 P6 W2 -","- C109.5 H101 Cl O7 P6 W2 -","- C876 H808 Cl8 O56 P48 W16 -","8","2","","Shiue, Tsun-Wei; Yeh, Wen-Yann; Lee, Gene-Hsiang; Peng, Shie-Ming","Synthesis of Ph2PC⋮C(CH2)5C⋮CPPh2Ligand and Its Complexation with Tungsten Carbonyls to Form a Dinuclear Paddle-Wheel and a Tetranuclear Tripodal Compound","Organometallics","2006","25","17","4150","","10.1021/om0603722","","","0.71073","MoKα","","0.0779","0.0478","","","0.1125","0.1272","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075565","12.1825","0.0004","12.2335","0.0004","18.1904","0.0007","95.15","0.001","94.223","0.001","92.027","0.001","2690.32","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H59 N O9 Re2 Sn2 -","- C49 H59 N O9 Re2 Sn2 -","- C98 H118 N2 O18 Re4 Sn4 -","2","1","","Adams, Richard D.; Captain, Burjor; Hollandsworth, Carl B.; Johansson, Mikael; Smith, Jack L.","Synthesis and Structures of Oxo-Bridged Distannyl- and Digermyldirhenium Complexes","Organometallics","2006","25","16","3848","","10.1021/om060375e","","","0.71073","MoKα","","0.0402","0.0312","","","0.0682","0.072","","","","","","1.011","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075566","10.9276","0.0005","17.1569","0.0008","17.9091","0.0008","91.498","0.001","90.181","0.001","90.273","0.001","3356.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H23 Ge2 O9.5 Re2 -","- C32 H23 Ge2 O9.5 Re2 -","- C128 H92 Ge8 O38 Re8 -","4","2","","Adams, Richard D.; Captain, Burjor; Hollandsworth, Carl B.; Johansson, Mikael; Smith, Jack L.","Synthesis and Structures of Oxo-Bridged Distannyl- and Digermyldirhenium Complexes","Organometallics","2006","25","16","3848","","10.1021/om060375e","","","0.71073","MoKα","","0.0253","0.0212","","","0.0498","0.0519","","","","","","1.046","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075567","12.657","0.003","18.902","0.005","22.352","0.006","76.171","0.005","88.051","0.005","89.004","0.005","5189","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H57 Ge2 N O9 Re2 -","- C48 H57 Ge2 N O9 Re2 -","- C192 H228 Ge8 N4 O36 Re8 -","4","2","","Adams, Richard D.; Captain, Burjor; Hollandsworth, Carl B.; Johansson, Mikael; Smith, Jack L.","Synthesis and Structures of Oxo-Bridged Distannyl- and Digermyldirhenium Complexes","Organometallics","2006","25","16","3848","","10.1021/om060375e","","","0.71073","MoKα","","0.0499","0.0343","","","0.0852","0.0946","","","","","","1.022","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075568","8.1062","0.0012","12.5379","0.0018","23.605","0.003","90","","90","","90","","2399.1","0.6","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Pentamethylcyclopentadienyldicarbonyldichloroboryliron 4-methylpyridine adduct","","","- C24 H28 B Cl2 Fe N O2 -","- C24 H27 B Cl2 Fe N O2 -","- C96 H108 B4 Cl8 Fe4 N4 O8 -","4","0.5","","Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.","Synthesis and Reactivity of Dihaloboryl Complexes","Organometallics","2006","25","19","4605","","10.1021/om060377z","","","0.71073","MoKα","","0.0426","0.0381","","","0.0954","0.0991","","","","","","1.057","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075569","8.1006","0.0004","12.6176","0.0007","23.7893","0.0013","90","","90","","90","","2431.5","0.2","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Pentamethylcyclopentadienyldicarbonyldibromoboryliron 4-methylpyridine adduct","","","- C24 H28 B Br2 Fe N O2 -","- C24 H30 B Br2 Fe N O2 -","- C96 H120 B4 Br8 Fe4 N4 O8 -","4","0.5","","Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.","Synthesis and Reactivity of Dihaloboryl Complexes","Organometallics","2006","25","19","4605","","10.1021/om060377z","","","0.71073","MoKα","","0.0566","0.0497","","","0.1016","0.1042","","","","","","1.236","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075570","9.5242","0.0003","11.6613","0.0004","14.0952","0.0004","92.027","0.002","94.8","0.002","99.939","0.002","1534.59","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Bromodi-4-methylpyridine (cyclopentadienyldicarbonyl)boroniumbromide","","","- C31 H37 B Br2 Fe N2 O2 -","- C31 H37 B Br2 Fe N2 O2 -","- C62 H74 B2 Br4 Fe2 N4 O4 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.","Synthesis and Reactivity of Dihaloboryl Complexes","Organometallics","2006","25","19","4605","","10.1021/om060377z","","","0.71073","MoKα","","0.0516","0.0364","","","0.0924","0.099","","","","","","1.032","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075571","23.778","0.005","6.7756","0.0015","12.024","0.003","90","","90","","90","","1937.2","0.8","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","Pentacarbonyldichloroborylmanganese","","","- C5 B Cl2 Mn O5 -","- C5 B Cl2 Mn O5 -","- C40 B8 Cl16 Mn8 O40 -","8","0.5","","Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.","Synthesis and Reactivity of Dihaloboryl Complexes","Organometallics","2006","25","19","4605","","10.1021/om060377z","","","0.71073","MoKα","","0.0267","0.0263","","","0.0645","0.0646","","","","","","1.249","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075572","25.022","0.003","6.3286","0.0008","13.1563","0.0016","90","","120.051","0.002","90","","1803.3","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis[Bromo(pentacarbonylmanganese)boryl]oxide","","","- C10 B2 Br2 Mn2 O11 -","- C10 B2 Br2 Mn2 O11 -","- C40 B8 Br8 Mn8 O44 -","4","0.5","","Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.","Synthesis and Reactivity of Dihaloboryl Complexes","Organometallics","2006","25","19","4605","","10.1021/om060377z","","","0.71073","MoKα","","0.0199","0.0187","","","0.0497","0.0503","","","","","","1.063","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075573","10.992","0.005","11.339","0.005","13.26","0.006","107.244","0.004","96.233","0.005","115.175","0.005","1374.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H39 B9 Ir2 O S2 -","- C21 H39 B9 Ir2 O S2 -","- C42 H78 B18 Ir4 O2 S4 -","2","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0506","0.0396","","","0.0994","0.1051","","","","","","1","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075574","12.388","0.008","17.128","0.01","19.889","0.012","90","","91.302","0.01","90","","4219","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H51 B9 Ir2 O Se2 -","- C33 H51 B9 Ir2 O Se2 -","- C132 H204 B36 Ir8 O4 Se8 -","4","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.1293","0.0555","","","0.127","0.1555","","","","","","0.961","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075575","17.969","0.005","12.7","0.004","12.078","0.003","90","","90","","90","","2756.3","1.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H36 B10 Ir2 S2 -","- C20 H36 B10 Ir2 S2 -","- C80 H144 B40 Ir8 S8 -","4","0.5","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0291","0.0241","","","0.0646","0.0675","","","","","","1.079","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075576","12.803","0.003","12.046","0.003","18.726","0.005","90","","96.323","0.004","90","","2870.4","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 B9 Ir O Rh S2 -","- C21 H39 B9 Ir O Rh S2 -","- C84 H156 B36 Ir4 O4 Rh4 S8 -","4","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0574","0.0375","","","0.0785","0.085","","","","","","1.022","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075577","10.542","0.003","14.967","0.004","17.522","0.005","90","","93.321","0.005","90","","2760","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36.5 B9.5 Ir Rh S2 -","- C20 H36.5 B9.5 Ir Rh S2 -","- C80 H146 B38 Ir4 Rh4 S8 -","4","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0879","0.0473","","","0.0899","0.1024","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075578","21.235","0.006","11.528","0.003","24.514","0.007","90","","90","","90","","6001","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H38 B9 Cl3 Ir2 O S2 -","- C20 H38 B9 Cl3 Ir2 O S2 -","- C160 H304 B72 Cl24 Ir16 O8 S16 -","8","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0653","0.0369","","","0.0732","0.0838","","","","","","1.012","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075579","11.587","0.003","12.647","0.003","12.776","0.003","86.511","0.004","74.525","0.004","68.482","0.004","1677.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H48 B9 Ir3 O Se2 -","- C27 H48 B9 Ir3 O Se2 -","- C54 H96 B18 Ir6 O2 Se4 -","2","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0941","0.0609","","","0.0986","0.1109","","","","","","1.074","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075580","18.289","0.008","12.197","0.005","12.852","0.006","90","","107.713","0.006","90","","2731","2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H38 B10 Ir2 O2 Se2 -","- C20 H38 B10 Ir2 O2 Se2 -","- C80 H152 B40 Ir8 O8 Se8 -","4","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0673","0.0513","","","0.1321","0.1388","","","","","","1.149","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075581","15.8718","0.0015","14.3618","0.0009","16.2998","0.0016","90","","95.892","0.009","90","","3695.9","0.6","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H43 Mo2 N3 O S2 -","- C39 H43 Mo2 N3 O S2 -","- C156 H172 Mo8 N12 O4 S8 -","4","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.0897","0.0807","","","0.2125","0.2261","","","","","","1.089","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075582","9.9768","0.0009","13.286","0.0016","13.9137","0.0018","77.796","0.011","86.048","0.009","68.941","0.01","1682.2","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H43 Mo2 N3 O S2 -","- C35 H43 Mo2 N3 O S2 -","- C70 H86 Mo4 N6 O2 S4 -","2","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.0894","0.0482","","","0.0875","0.1008","","","","","","0.956","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075583","16.2946","0.0008","13.4907","0.0006","16.0487","0.0007","90","","90","","90","","3527.9","0.3","300","2","300","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C35 H43 Mo2 N3 O S2 -","- C35 H43 Mo2 N3 O S2 -","- C140 H172 Mo8 N12 O4 S8 -","4","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.0626","0.0427","","","0.0917","0.0988","","","","","","0.952","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075584","8.36","0.0001","16.956","0.0002","26.1569","0.0004","90","","94.3","0.001","90","","3697.36","0.08","120","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H45 Mo2 N3 O1.143 S2 -","- C40 H45 Mo2 N3 O1.143 S2 -","- C160 H180 Mo8 N12 O4.572 S8 -","4","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.0799","0.0469","","","0.1023","0.1179","","","","","","1.028","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075585","12.9957","0.001","18.5383","0.0014","16.2894","0.0015","90","0.007","95.627","0.007","90","0.006","3905.5","0.6","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Mo2 N3 O S2 -","- C41 H47 Mo2 N3 O S2 -","- C164 H188 Mo8 N12 O4 S8 -","4","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.1061","0.065","","","0.1076","0.1218","","","","","","1.107","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075586","15.6163","0.0003","8.9018","0.0002","16.8896","0.0004","90","","93.291","0.001","90","","2344","0.09","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H29 Mo2 N O S3 -","- C22 H29 Mo2 N O S3 -","- C88 H116 Mo8 N4 O4 S12 -","4","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.0879","0.0501","","","0.1121","0.1354","","","","","","1.081","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075587","13.481","0.002","17.536","0.003","23.734","0.004","90","","90","","90","","5610.8","1.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H45 I N2 Si4 Sn -","- C17 H45 I N2 Si4 Sn -","- C136 H360 I8 N16 Si32 Sn8 -","8","1","","Bartolin, Jeffrey M.; Kavara, Ajdin; Kampf, Jeff; Banaszak Holl, Mark M.","Tin-Mediated CH Activation and Cross-Coupling in a Single Flask","Organometallics","2006","25","20","4738","","10.1021/om060388s","","","0.71073","MoKα","","0.0243","0.0202","","","0.0475","0.0493","","","","","","1.104","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075588","14.9279","0.0011","16.6872","0.0012","23.5871","0.0017","78.051","0.001","74.036","0.001","79.288","0.001","5474.5","0.7","200","2","200","2","","","","","","","","8","P -1","-P 1","2","[Ru(2-t-BuOOC-cyclopentanonato)(PNNP)]PF6","","","- C110.22 H110 Cl4.51 F12 N4 O6 P6 Ru2 -","- C110.227 H110 Cl4.506 F12 N4 O6 P6 Ru2 -","- C220.454 H220 Cl9.012 F24 N8 O12 P12 Ru4 -","2","1","","Althaus, Martin; Bonaccorsi, Cristina; Mezzetti, Antonio; Santoro, Francesco","Chiral Ruthenium PNNP Complexes of Non-Enolized 1,3-Dicarbonyl Compounds: Acidity and Involvement in Asymmetric Michael Addition","Organometallics","2006","25","13","3108","","10.1021/om060389k","","x-ray","0.71073","MoKα","","0.0573","0.0497","","","0.1364","0.1418","","","","","","1.041","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075589","11.8816","0.0012","16.0042","0.0017","16.4275","0.0017","96.802","0.002","97.407","0.002","93.83","0.002","3065.2","0.6","220","2","220","2","","","","","","","","8","P -1","-P 1","2","[Ru(MeC(O)-N-Bn-d-valerolactamato)(PNNP)]PF6","","","- C61.01 H52 Cl6 F6 N3 O2 P3 Ru -","- C61.01 H52 Cl6 F6 N3 O2 P3 Ru -","- C122.02 H104 Cl12 F12 N6 O4 P6 Ru2 -","2","1","","Althaus, Martin; Bonaccorsi, Cristina; Mezzetti, Antonio; Santoro, Francesco","Chiral Ruthenium PNNP Complexes of Non-Enolized 1,3-Dicarbonyl Compounds: Acidity and Involvement in Asymmetric Michael Addition","Organometallics","2006","25","13","3108","","10.1021/om060389k","","x-ray","0.71073","MoKα","","0.0848","0.062","","","0.1739","0.1924","","","","","","1.058","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075590","8.8372","0.0008","9.1967","0.0008","16.62","0.002","75.253","0.004","79.602","0.004","88.771","0.004","1284.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Complex 6a","","","- C29 H35 N O W -","- C29 H35 N O W -","- C58 H70 N2 O2 W2 -","2","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Legzdins, Peter; Patrick, Brian O.","Ortho-Selective C−H Activation of Substituted Benzenes Effected by a Tungsten Alkylidene Complex without Substituent Coordination","Organometallics","2006","25","17","4215","","10.1021/om060390j","","","0.71073","MoKα","","0.0286","0.0245","","","0.0622","0.0686","","","","","","1.212","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075591","10.792","0.001","16.44","0.001","14.468","0.001","90","","91.629","0.003","90","","2565.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Complex 7","","","- C27 H45 N O W -","- C27 H45 N O W -","- C108 H180 N4 O4 W4 -","4","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Legzdins, Peter; Patrick, Brian O.","Ortho-Selective C−H Activation of Substituted Benzenes Effected by a Tungsten Alkylidene Complex without Substituent Coordination","Organometallics","2006","25","17","4215","","10.1021/om060390j","","","0.71073","MoKα","","0.0369","0.0328","","","0.0783","0.0809","","","","","","1.123","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075592","10.6196","0.0011","18.1403","0.0013","11.2112","0.001","90","","97.101","0.003","90","","2143.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Complex 5a","","","- C22 H33 N O2 W -","- C22 H33 N O2 W -","- C88 H132 N4 O8 W4 -","4","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Legzdins, Peter; Patrick, Brian O.","Ortho-Selective C−H Activation of Substituted Benzenes Effected by a Tungsten Alkylidene Complex without Substituent Coordination","Organometallics","2006","25","17","4215","","10.1021/om060390j","","","0.71073","MoKα","","0.0369","0.0356","","","0.0907","0.0925","","","","","","1.096","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075593","8.2185","0.0009","9.2843","0.0009","14.5576","0.0015","74.26","0.004","89.287","0.004","77.311","0.004","1041.71","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Complex 2a","","","- C21 H30 F N O W -","- C21 H30 F0.982 N O W -","- C42 H60 F1.964 N2 O2 W2 -","2","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Legzdins, Peter; Patrick, Brian O.","Ortho-Selective C−H Activation of Substituted Benzenes Effected by a Tungsten Alkylidene Complex without Substituent Coordination","Organometallics","2006","25","17","4215","","10.1021/om060390j","","","0.71073","MoKα","","0.0244","0.0221","","","0.0569","0.0586","","","","","","1.092","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075594","8.0777","0.0006","9.4908","0.0008","14.7275","0.0013","72.039","0.003","89.092","0.002","77.726","0.002","1047.99","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Complex 10c","","","- C21 H29 F2 N O W -","- C21 H29 F2 N O W -","- C42 H58 F4 N2 O2 W2 -","2","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Legzdins, Peter; Patrick, Brian O.","Ortho-Selective C−H Activation of Substituted Benzenes Effected by a Tungsten Alkylidene Complex without Substituent Coordination","Organometallics","2006","25","17","4215","","10.1021/om060390j","","","0.71073","MoKα","","0.0143","0.0126","","","0.0305","0.031","","","","","","1.052","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075595","11.8892","0.0015","15.8619","0.0018","12.0429","0.0014","90","","108.061","0.005","90","","2159.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Complex 16","","","- C22 H30 F N O2 W -","- C22 H30 F N O2 W -","- C88 H120 F4 N4 O8 W4 -","4","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Legzdins, Peter; Patrick, Brian O.","Ortho-Selective C−H Activation of Substituted Benzenes Effected by a Tungsten Alkylidene Complex without Substituent Coordination","Organometallics","2006","25","17","4215","","10.1021/om060390j","","","0.71073","MoKα","","0.0553","0.0308","","","0.0606","0.067","","","","","","1.031","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075596","14.0065","0.0003","14.0128","0.0003","26.8447","0.0006","85.955","0.001","78.652","0.001","66.771","0.001","4746.9","0.18","165","2","165","2","","","","","","","","6","P -1","-P 1","2","","","","- C113.5 H95 O3 P3 Pt3 Si3 -","- C113.5 H91 O3 P3 Pt3 Si3 -","- C227 H182 O6 P6 Pt6 Si6 -","2","1","","Braddock-Wilking, Janet; Corey, Joyce Y.; French, Lisa M.; Choi, Eunwoo; Speedie, Victoria J.; Rutherford, Michael F.; Yao, Shu; Xu, Huan; Rath, Nigam P.","Si−H Bond Activation by (Ph3P)2Pt(η2-C2H4) in Dihydrosilicon Tricycles that Also Contain O and N Heteroatoms","Organometallics","2006","25","16","3974","","10.1021/om060391b","","","0.71073","MoKα","","0.1735","0.057","","","0.0894","0.1238","","","","","","0.957","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075597","21.9536","0.0003","18.1694","0.0003","24.4386","0.0003","90","","116.137","0.001","90","","8751.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C101 H89 Br4 N2 P3 Pt2 Si2 -","- C101 H89 Br4 N2 P3 Pt2 Si2 -","- C404 H356 Br16 N8 P12 Pt8 Si8 -","4","1","","Braddock-Wilking, Janet; Corey, Joyce Y.; French, Lisa M.; Choi, Eunwoo; Speedie, Victoria J.; Rutherford, Michael F.; Yao, Shu; Xu, Huan; Rath, Nigam P.","Si−H Bond Activation by (Ph3P)2Pt(η2-C2H4) in Dihydrosilicon Tricycles that Also Contain O and N Heteroatoms","Organometallics","2006","25","16","3974","","10.1021/om060391b","","","0.71073","MoKα","","0.0705","0.0374","","","0.0713","0.0844","","","","","","1.087","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075598","10.7502","0.0003","12.5014","0.0003","12.6776","0.0003","68.33","0.001","71.997","0.001","66.945","0.001","1429.7","0.06","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H62 N2 P2 Pt2 Si2 -","- C69 H54 N2 P2 Pt2 Si2 -","- C69 H54 N2 P2 Pt2 Si2 -","1","0.5","","Braddock-Wilking, Janet; Corey, Joyce Y.; French, Lisa M.; Choi, Eunwoo; Speedie, Victoria J.; Rutherford, Michael F.; Yao, Shu; Xu, Huan; Rath, Nigam P.","Si−H Bond Activation by (Ph3P)2Pt(η2-C2H4) in Dihydrosilicon Tricycles that Also Contain O and N Heteroatoms","Organometallics","2006","25","16","3974","","10.1021/om060391b","","","0.71073","MoKα","","0.0871","0.0533","","","0.1068","0.1201","","","","","","1.054","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075599","8.5","0.003","13.382","0.006","16.361","0.009","90","","90","","90","","1861","1.5","200","2","200","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","Cp*RhCl2(PTA)","Bischloro-Pentamethylcyclodienyl-1,3,5-Triaza-7-phosphaadamantane- Rhodium(III)","","- C16 H27 Cl2 N3 P Rh -","- C16 H27 Cl2 N3 P Rh -","- C64 H108 Cl8 N12 P4 Rh4 -","4","1","","Dorcier, Antoine; Ang, Wee Han; Bolaño, Sandra; Gonsalvi, Luca; Juillerat-Jeannerat, Lucienne; Laurenczy, Gàbor; Peruzzini, Maurizio; Phillips, Andrew D.; Zanobini, Fabrizio; Dyson, Paul J.","In Vitro Evaluation of Rhodium and Osmium RAPTA Analogues: The Case for Organometallic Anticancer Drugs Not Based on Ruthenium","Organometallics","2006","25","17","4090","","10.1021/om060394o","","x-ray","0.71073","MoKα","","0.0223","0.019","","","0.0472","0.048","","","","","","1.047","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075600","11.985","0.001","30.388","0.002","13.002","0.0009","90","","107.8","0.007","90","","4508.6","0.6","90","2","90","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","Cp*Rh(PTA)2Cl BPh4 MeOH","Chloro-Pentamethylcyclodienyl-Bis-1,3,5-Triaza-7-phosphaadamantane- Rhodium(III) Tetraphenylborate with methanol solvate","","- C46.7 H61.81 B Cl N6 O0.705 P2 Rh -","- C46.704 H61.816 B Cl N6 O0.704 P2 Rh -","- C186.816 H247.264 B4 Cl4 N24 O2.816 P8 Rh4 -","4","1","","Dorcier, Antoine; Ang, Wee Han; Bolaño, Sandra; Gonsalvi, Luca; Juillerat-Jeannerat, Lucienne; Laurenczy, Gàbor; Peruzzini, Maurizio; Phillips, Andrew D.; Zanobini, Fabrizio; Dyson, Paul J.","In Vitro Evaluation of Rhodium and Osmium RAPTA Analogues: The Case for Organometallic Anticancer Drugs Not Based on Ruthenium","Organometallics","2006","25","17","4090","","10.1021/om060394o","","","0.71073","MoKα","","0.046","0.0454","","","0.0967","0.0971","","","","","","1.164","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075601","9.1729","0.0018","12.325","0.003","13.028","0.003","78.66","0.03","83.11","0.03","70.94","0.03","1362.5","0.6","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","Cp*Rh(PTA)2Cl Cl 2HOH","Chloro-Pentamethylcyclodienyl-Bis-1,3,5-Triaza-7-phosphaadamantane- Rhodium(III) Chloride with Water Solvate","","- C22 H43 Cl2 N6 O2 P2 Rh -","- C22 H43 Cl2 N6 O2 P2 Rh -","- C44 H86 Cl4 N12 O4 P4 Rh2 -","2","1","","Dorcier, Antoine; Ang, Wee Han; Bolaño, Sandra; Gonsalvi, Luca; Juillerat-Jeannerat, Lucienne; Laurenczy, Gàbor; Peruzzini, Maurizio; Phillips, Andrew D.; Zanobini, Fabrizio; Dyson, Paul J.","In Vitro Evaluation of Rhodium and Osmium RAPTA Analogues: The Case for Organometallic Anticancer Drugs Not Based on Ruthenium","Organometallics","2006","25","17","4090","","10.1021/om060394o","","","0.71073","MoKα","","0.1525","0.0635","","","0.0967","0.1218","","","","","","0.982","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075602","10.7119","0.0014","14.3315","0.0019","29.82","0.004","90","","93.256","0.003","90","","4570.5","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H67 Cl O2 Os P2 Sn -","- C44 H59 Cl O2 Os P2 Sn -","- C176 H236 Cl4 O8 Os4 P8 Sn4 -","4","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat","Preparation, X-ray Structures, and NMR Spectra of Elongated Dihydrogen Complexes with Four- and Five-Coordinate Tin Centers","Organometallics","2006","25","19","4691","","10.1021/om060395g","","","0.71073","MoKα","","0.1151","0.0412","","","0.0807","0.1074","","","","","","0.789","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075603","11.6836","0.0005","15.6616","0.0007","21.8655","0.001","90","","90","","90","","4001","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H59 Cl O4 Os P2 Sn -","- C38 H59 Cl O4 Os P2 Sn -","- C152 H236 Cl4 O16 Os4 P8 Sn4 -","4","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat","Preparation, X-ray Structures, and NMR Spectra of Elongated Dihydrogen Complexes with Four- and Five-Coordinate Tin Centers","Organometallics","2006","25","19","4691","","10.1021/om060395g","","","0.71073","MoKα","","0.0399","0.0342","","","0.0512","0.0526","","","","","","0.909","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075604","20.9579","0.0014","9.4999","0.0006","22.4791","0.0016","90","","115.389","0.003","90","","4043.3","0.5","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 N4 O15 P Pt -","- C39 H39 N4 O15 P Pt -","- C156 H156 N16 O60 P4 Pt4 -","4","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.0375","0.0228","","","0.0494","0.0529","","","","","","0.992","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075605","12.2189","0.0008","13.1105","0.001","18.824","0.0014","88.649","0.004","76.049","0.004","63.967","0.004","2617.9","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C54.5 H48.5 Cl1.5 N4 O14 P2 Pt -","- C54.5 H48.5 Cl1.5 N4 O14 P2 Pt -","- C109 H97 Cl3 N8 O28 P4 Pt2 -","2","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.0415","0.0298","","","0.0641","0.0686","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075606","9.3407","0.0008","34.741","0.003","8.6","0.0006","90","","103.794","0.003","90","","2710.3","0.4","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N4 O15 Pt S -","- C20 H24 N4 O15 Pt S -","- C80 H96 N16 O60 Pt4 S4 -","4","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.03","0.0263","","","0.0515","0.0523","","","","","","1.23","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075607","9.9644","0.0015","13.156","0.002","17.352","0.003","84.802","0.003","74.979","0.003","85.99","0.003","2185.4","0.6","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H37 Cl3 N6 O14 Pt -","- C37 H37 Cl3 N6 O14 Pt -","- C74 H74 Cl6 N12 O28 Pt2 -","2","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.0318","0.0274","","","0.0617","0.0635","","","","","","1.028","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075608","21.1834","0.0016","11.2289","0.0008","16.2941","0.0012","90","","93.091","0.002","90","","3870.2","0.5","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N6 O14 Pt -","- C36 H36 N6 O14 Pt -","- C144 H144 N24 O56 Pt4 -","4","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.0393","0.0255","","","0.0517","0.0554","","","","","","1.001","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075609","32.917","0.003","8.544","0.0008","51.357","0.005","90","","104.698","0.008","90","","13971","2","133","2","133","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C28 H28 Cl3 N5 O14 Pt -","- C27 H27 N5 O14 Pt -","- C432 H432 N80 O224 Pt16 -","16","4","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.1276","0.0725","","","0.1691","0.1838","","","","","","0.992","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075610","10.5115","0.0008","9.5613","0.0006","26.9995","0.0018","90","","92.123","0.003","90","","2711.7","0.3","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 N4 O15 Pt -","- C20 H20 Cl2 N4 O15 Pt -","- C80 H80 Cl8 N16 O60 Pt4 -","4","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.0353","0.0285","","","0.066","0.068","","","","","","1.085","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075611","9.0734","0.0006","10.5091","0.0008","15.3912","0.0011","72.588","0.003","88.431","0.003","83.9","0.003","1392.41","0.17","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 N4 O15 Pt -","- C22 H25 N4 O15 Pt -","- C44 H50 N8 O30 Pt2 -","2","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.0205","0.0172","","","0.0422","0.043","","","","","","1.004","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075612","18.1068","0.0011","20.7282","0.0013","20.7627","0.0013","90","","90","","90","","7792.7","0.8","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H33 N4 O15 P Pt -","- C37 H33 N4 O15 P Pt -","- C296 H264 N32 O120 P8 Pt8 -","8","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.027","0.0191","","","0.0462","0.0495","","","","","","1.028","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075613","9.9072","0.0008","40.753","0.003","10.6809","0.0008","90","","103.874","0.003","90","","4186.6","0.6","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cl3 N4 O15 P Pt -","- C38 H34 Cl3 N4 O15 P Pt -","- C152 H136 Cl12 N16 O60 P4 Pt4 -","4","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.0518","0.0436","","","0.0877","0.0897","","","","","","1.226","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075614","14.957","0.0009","15.2972","0.001","18.6367","0.0012","90","","96.821","0.001","90","","4233.9","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H60 P4 Pt2 Si4 -","- C34 H60 P4 Pt2 Si4 -","- C136 H240 P16 Pt8 Si16 -","4","1","","Shimada, Shigeru; Li, Yong-Hua; Rao, Maddali L. N.; Tanaka, Masato","A PtIII2Si2Four-Membered Cycle and a Dinuclear Platinum Complex Bridged by a Cyclodisiloxane Ring","Organometallics","2006","25","16","3796","","10.1021/om0604019","","","0.71069","MoKα","","","0.0208","","","","0.0507","","","","","","1.027","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4075615","8.8853","0.0013","10.264","0.0009","11.3562","0.0013","98.945","0.01","109.916","0.008","97.737","0.01","942.1","0.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 O2 P4 Pt2 Si4 -","- C28 H52 O2 P4 Pt2 Si4 -","- C28 H52 O2 P4 Pt2 Si4 -","1","0.5","","Shimada, Shigeru; Li, Yong-Hua; Rao, Maddali L. N.; Tanaka, Masato","A PtIII2Si2Four-Membered Cycle and a Dinuclear Platinum Complex Bridged by a Cyclodisiloxane Ring","Organometallics","2006","25","16","3796","","10.1021/om0604019","","","0.71069","MoKα","","","0.0273","","","","0.0631","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075616","12.047","0.003","15.9","0.003","21.476","0.005","90","","90","","90","","4113.7","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2-phenyl-6-(2-amino-(3',3'-dimethyl)-propyl)pyridine,C,N,N')- [1,4-bis(diphenylphosphino)-buthane,P,P']chloro-ruthenium(II)","","- C44 H47 Cl N2 P2 Ru -","- C44 H47 Cl N2 P2 Ru -","- C176 H188 Cl4 N8 P8 Ru4 -","4","1","","Baratta, Walter; Bosco, Marco; Chelucci, Giorgio; Del Zotto, Alessandro; Siega, Katia; Toniutti, Micaela; Zangrando, Ennio; Rigo, Pierluigi","Terdentate RuX(CNN)(PP) (X = Cl, H, OR) Complexes: Synthesis, Properties, and Catalytic Activity in Fast Transfer Hydrogenation","Organometallics","2006","25","19","4611","","10.1021/om060408q","","","0.71073","Mokα","","0.0416","0.034","","","0.0832","0.0858","","","","","","0.975","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075617","10.1166","0.0009","16.5993","0.0017","10.9799","0.0011","90","","110.6","0.002","90","","1725.9","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(SIPr)Cu(OAc)","","","- C35 H47 Cu N2 O2 -","- C35 H47 Cu N2 O2 -","- C70 H94 Cu2 N4 O4 -","2","1","","Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Petersen, Jeffrey L.","Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Bimolecular Formation of Alkanes","Organometallics","2006","25","17","4097","","10.1021/om060409i","","","0.71073","MoKα","","0.0859","0.0593","","","0.1361","0.1548","","","","","","1.013","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075618","9.428","0.0006","20.0375","0.0012","11.9928","0.0008","90","","104.074","0.001","90","","2197.6","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(IMes)Cu(OAc)","","","- C23 H27 Cu N2 O2 -","- C23 H27 Cu N2 O2 -","- C92 H108 Cu4 N8 O8 -","4","1","","Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Petersen, Jeffrey L.","Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Bimolecular Formation of Alkanes","Organometallics","2006","25","17","4097","","10.1021/om060409i","","","0.71073","MoKα","","0.0754","0.0565","","","0.1591","0.1773","","","","","","1.031","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075619","15.1868","0.0009","15.6168","0.0009","16.0275","0.001","98.396","0.001","98.581","0.001","99.305","0.001","3652.4","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(dtbpe)Cu(OAc)","","","- C20 H43 Cu O2 P2 -","- C20 H43 Cu O2 P2 -","- C120 H258 Cu6 O12 P12 -","6","3","","Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Petersen, Jeffrey L.","Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Bimolecular Formation of Alkanes","Organometallics","2006","25","17","4097","","10.1021/om060409i","","","0.71073","MoKα","","0.0684","0.0434","","","0.1122","0.1262","","","","","","1.035","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075620","13.002","0.002","16.534","0.003","13.345","0.002","90","","95.971","0.003","90","","2853.3","0.8","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 N2 Pt -","- C36 H38 N2 Pt -","- C144 H152 N8 Pt4 -","4","1","","Young, Kenneth J. H.; Meier, Steven K.; Gonzales, Jason M.; Oxgaard, Jonas; Goddard, William A.; Periana, Roy A.","Heterolytic CH Activation with a Cyclometalated Platinum(II) 6-Phenyl-4,4‘-di-tert-butyl-2,2-Bipyridine Complex","Organometallics","2006","25","20","4734","","10.1021/om060410h","","","0.71073","MoKα","","0.0417","0.0298","","","0.0638","0.0677","","","","","","1.002","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075621","13.317","0.003","16.389","0.003","23.527","0.005","93.51","0.03","100.28","0.03","109.95","0.03","4708","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 B10 O0.5 P2 Ru -","- C48 H50 B10 O0.5 P2 Ru -","- C192 H200 B40 O2 P8 Ru4 -","4","2","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction Scope and Mechanism of Sterically Induced Ruthenium-Mediated Intramolecular Coupling ofo-Carboranyl with Cyclopentadienyl. Synthesis and Structure of Ruthenium Complexes Incorporating Doubly Linked Cyclopentadienyl−Carboranyl Ligands","Organometallics","2006","25","17","4188","","10.1021/om0604122","","","0.71073","MoKα","","0.0523","0.0475","","","0.1308","0.1358","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075622","10.3347","0.0015","12.5767","0.0018","16.789","0.002","81.816","0.003","81.231","0.003","84.432","0.003","2128.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H48 B10 P2 Ru -","- C45 H48 B10 P2 Ru -","- C90 H96 B20 P4 Ru2 -","2","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction Scope and Mechanism of Sterically Induced Ruthenium-Mediated Intramolecular Coupling ofo-Carboranyl with Cyclopentadienyl. Synthesis and Structure of Ruthenium Complexes Incorporating Doubly Linked Cyclopentadienyl−Carboranyl Ligands","Organometallics","2006","25","17","4188","","10.1021/om0604122","","","0.71073","MoKα","","0.0863","0.0517","","","0.1106","0.1273","","","","","","1.007","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075623","17.534","0.001","12.2962","0.0007","21.3743","0.0011","90","","102.497","0.001","90","","4499.1","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 B10 P2 Ru -","- C47 H52 B10 P2 Ru -","- C188 H208 B40 P8 Ru4 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction Scope and Mechanism of Sterically Induced Ruthenium-Mediated Intramolecular Coupling ofo-Carboranyl with Cyclopentadienyl. Synthesis and Structure of Ruthenium Complexes Incorporating Doubly Linked Cyclopentadienyl−Carboranyl Ligands","Organometallics","2006","25","17","4188","","10.1021/om0604122","","","0.71073","MoKα","","0.0472","0.0326","","","0.0812","0.0877","","","","","","1.001","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075624","14.7615","0.0008","14.7615","0.0008","31.863","0.003","90","","90","","90","","6943","0.8","294","2","294","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C54 H70 B20 N2 P2 Ru2 Si2 -","- C54 H70 B20 N2 P2 Ru2 Si2 -","- C216 H280 B80 N8 P8 Ru8 Si8 -","4","0.5","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction Scope and Mechanism of Sterically Induced Ruthenium-Mediated Intramolecular Coupling ofo-Carboranyl with Cyclopentadienyl. Synthesis and Structure of Ruthenium Complexes Incorporating Doubly Linked Cyclopentadienyl−Carboranyl Ligands","Organometallics","2006","25","17","4188","","10.1021/om0604122","","","0.71073","MoKα","","0.0663","0.0463","","","0.1353","0.1534","","","","","","1.134","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075625","10.2229","0.0019","14.716","0.003","17.344","0.003","105.489","0.007","102.955","0.008","94.604","0.008","2423","0.8","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H44 B9 N O5 P2 Re Rh -","- C48 H44 B9 N O5 P2 Re Rh -","- C96 H88 B18 N2 O10 P4 Re2 Rh2 -","2","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§","Organometallics","2006","25","19","4444","","10.1021/om060417z","","","0.71073","MoKα","","0.0397","0.0304","","","0.068","0.0721","","","","","","1.037","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075626","10.539","0.003","27.952","0.007","17.337","0.004","90","","99.897","0.009","90","","5031","2","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 B9 Ir N O6 P2 Re -","- C49 H44 B9 Ir N O6 P2 Re -","- C196 H176 B36 Ir4 N4 O24 P8 Re4 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§","Organometallics","2006","25","19","4444","","10.1021/om060417z","","","0.71073","MoKα","","0.0432","0.0325","","","0.079","0.0834","","","","","","1.023","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075627","10.295","0.002","28.103","0.005","17.398","0.004","90","","99.739","0.008","90","","4961.1","1.7","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 B9 N O6 P2 Re Rh -","- C49 H44 B9 N O6 P2 Re Rh -","- C196 H176 B36 N4 O24 P8 Re4 Rh4 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§","Organometallics","2006","25","19","4444","","10.1021/om060417z","","","0.71073","MoKα","","0.0449","0.0289","","","0.0554","0.0579","","","","","","1.044","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075628","44.096","0.01","9.566","0.002","31.963","0.007","90","","120.92","0.009","90","","11567","5","110","2","110","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C53 H53 B9 Cl3 Ir Mn N O6 P2 -","- C53 H47 B9 Cl3 Ir Mn N O6 P2 -","- C424 H376 B72 Cl24 Ir8 Mn8 N8 O48 P16 -","8","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§","Organometallics","2006","25","19","4444","","10.1021/om060417z","","","0.71073","MoKα","","0.2105","0.0821","","","0.1548","0.1954","","","","","","0.93","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075629","10.2676","0.0011","28.011","0.002","17.3581","0.0019","90","","99.232","0.004","90","","4927.6","0.8","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 B9 Mn N O6 P2 Rh -","- C49 H44 B9 Mn N O6 P2 Rh -","- C196 H176 B36 Mn4 N4 O24 P8 Rh4 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§","Organometallics","2006","25","19","4444","","10.1021/om060417z","","","0.71073","MoKα","","0.1354","0.0605","","","0.0983","0.1168","","","","","","0.957","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075630","11.2164","0.0003","15.8298","0.0005","18.7704","0.0006","80.508","0.002","75.686","0.002","79.363","0.002","3148.8","0.17","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C63 H63 B9 Cl2 Ir N2 O5 P2 Re -","- C63.65 H55 B9 Cl2 Ir N2 O5 P2 Re -","- C127.3 H110 B18 Cl4 Ir2 N4 O10 P4 Re2 -","2","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§","Organometallics","2006","25","19","4444","","10.1021/om060417z","","","0.71073","MoKα","","0.0831","0.045","","","0.0745","0.0873","","","","","","1.006","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4082246","12.1903","0.0002","12.9598","0.0001","16.9421","0.0003","84.033","0.001","88.025","0.001","70.33","0.001","2506.74","0.07","84","2","84","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H50 O4 Os P2 S -","- C60 H50 O4 Os P2 S -","- C120 H100 O8 Os2 P4 S2 -","2","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Wright, L. James","An Osmabenzofuran from Reaction between Os(PhC⋮CPh)(CS)(PPh3)2and Methyl Propiolate and the C-Protonation of this Compound to Form a Tethered Osmabenzene","Organometallics","2006","25","7","1771","","10.1021/om0510371","","","0.71073","MoKα","","0.0431","0.0326","","","0.0743","0.0794","","","","","","1.052","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082248","8.495","0.001","16.87","0.001","11.447","0.001","90","","106.974","0.001","90","","1569","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H35 Cl2 N P2 Pd -","- C35 H35 Cl2 N P2 Pd -","- C70 H70 Cl4 N2 P4 Pd2 -","2","1","","Boubekeur, Leila; Ricard, Louis; Mézailles, Nicolas; Demange, Matthieu; Auffrant, Audrey; Le Floch, Pascal","Nitrogen-Assisted Ortho Lithiation: One-Pot Synthesis of New Classes of Bidentate and Tetradentate Mixed Pσim N Ligands","Organometallics","2006","25","12","3091","","10.1021/om060208e","","","0.71069","MoKα","","0.0197","0.0191","","","0.0517","0.0522","","","","","","1.007","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4083789","10.877","0.002","12.461","0.003","13.788","0.003","71.98","0.03","87.58","0.03","77.87","0.03","1736.9","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H102 F12 Ir2 N4 P6 -","- C62 H102 F12 Ir2 N4 P6 -","- C62 H102 F12 Ir2 N4 P6 -","1","0.5","","Ben-Ari, Eyal; Cohen, Revital; Gandelman, Mark; Shimon, Linda J. W.; Martin, Jan M. L.; Milstein, David","orthoC−H Activation of Haloarenes and Anisole by an Electron-Rich Iridium(I) Complex: Mechanism and Origin of Regio- and Chemoselectivity. An Experimental and Theoretical Study","Organometallics","2006","25","13","3190","","10.1021/om060078+","","","0.71073","MoKα","","0.0338","0.0287","","","0.0679","0.0699","","","","","","1.088","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083790","13.587","0.0019","13.587","0.0019","35.221","0.007","90","","90","","90","","6502","1.8","120","2","120","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C31.5 H34.5 B0.5 F12 Ir0.5 N0.5 P -","- C31.5 H34.5 B0.5 F12 Ir0.5 N0.5 P -","- C252 H276 B4 F96 Ir4 N4 P8 -","8","1","","Ben-Ari, Eyal; Cohen, Revital; Gandelman, Mark; Shimon, Linda J. W.; Martin, Jan M. L.; Milstein, David","orthoC−H Activation of Haloarenes and Anisole by an Electron-Rich Iridium(I) Complex: Mechanism and Origin of Regio- and Chemoselectivity. An Experimental and Theoretical Study","Organometallics","2006","25","13","3190","","10.1021/om060078+","","","0.71073","MoKα","","0.0333","0.0284","","","0.0641","0.0653","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083791","18","0.004","18.742","0.004","19.172","0.004","90","","94.42","0.03","90","","6449","2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H63 B F24 Ir N O P2 -","- C62 H63 B F24 Ir N O P2 -","- C248 H252 B4 F96 Ir4 N4 O4 P8 -","4","1","","Ben-Ari, Eyal; Cohen, Revital; Gandelman, Mark; Shimon, Linda J. W.; Martin, Jan M. L.; Milstein, David","orthoC−H Activation of Haloarenes and Anisole by an Electron-Rich Iridium(I) Complex: Mechanism and Origin of Regio- and Chemoselectivity. An Experimental and Theoretical Study","Organometallics","2006","25","13","3190","","10.1021/om060078+","","","0.71073","MoKα","","0.0691","0.0391","","","0.0852","0.0978","","","","","","1.012","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083792","14.9114","0.0011","14.087","0.0011","14.9432","0.0011","90","","117.789","0.001","90","","2776.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Fe P2 Se2 -","- C26 H44 Fe P2 Se2 -","- C104 H176 Fe4 P8 Se8 -","4","1","","Blanco, Fawn N.; Hagopian, Laura E.; McNamara, William R.; Golen, James A.; Rheingold, Arnold L.; Nataro, Chip","Anodic Electrochemistry of Free and Coordinated 1,1‘-Bis(di-tert-butylphosphino)ferrocene","Organometallics","2006","25","18","4292","","10.1021/om051011+","","","0.71073","MoKα","","0.0293","0.0247","","","0.0612","0.0633","","","","","","1.027","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083793","12.0758","0.0013","15.8867","0.0017","18.513","0.002","90","","90","","90","","3551.6","0.7","213","2","213","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C27 H46 B2 Cl2 F8 Fe O0 P2 Se2 -","- C27 H46 B2 Cl2 F8 Fe P2 Se2 -","- C108 H184 B8 Cl8 F32 Fe4 P8 Se8 -","4","1","","Blanco, Fawn N.; Hagopian, Laura E.; McNamara, William R.; Golen, James A.; Rheingold, Arnold L.; Nataro, Chip","Anodic Electrochemistry of Free and Coordinated 1,1‘-Bis(di-tert-butylphosphino)ferrocene","Organometallics","2006","25","18","4292","","10.1021/om051011+","","","0.71073","MoKα","","0.0406","0.0347","","","0.0897","0.0922","","","","","","1.072","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083795","9.3543","0.0002","15.8642","0.0003","16.9042","0.0004","87.6752","0.0014","86.2064","0.0015","77.4549","0.001","2442.42","0.09","103","2","103","2","","","","","","","","4","P -1","-P 1","2","9-germaanthracene","","","- C43 H76 Ge Si7 -","- C43 H76 Ge Si7 -","- C86 H152 Ge2 Si14 -","2","1","","Sasamori, Takahiro; Inamura, Koji; Hoshino, Wataru; Nakata, Norio; Mizuhata, Yoshiyuki; Watanabe, Yasuaki; Furukawa, Yukio; Tokitoh, Norihiro","Synthesis and Characterization of Two Isomers of 14π-Electron Germaaromatics: Kinetically Stabilized 9-Germaanthracene and 9-Germaphenanthrene","Organometallics","2006","25","15","3533","","10.1021/om060371+","","","0.71069","MoKα","","0.0354","0.0306","","","0.0792","0.0815","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083796","45.4641","0.0006","9.3634","0.0002","43.3349","0.0007","90","","91.0317","0.0005","90","","18444.6","0.6","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","9-germaphenanthrene","","","- C40 H68 Ge Si6 -","- C40 H68 Ge Si6 -","- C640 H1088 Ge16 Si96 -","16","2","","Sasamori, Takahiro; Inamura, Koji; Hoshino, Wataru; Nakata, Norio; Mizuhata, Yoshiyuki; Watanabe, Yasuaki; Furukawa, Yukio; Tokitoh, Norihiro","Synthesis and Characterization of Two Isomers of 14π-Electron Germaaromatics: Kinetically Stabilized 9-Germaanthracene and 9-Germaphenanthrene","Organometallics","2006","25","15","3533","","10.1021/om060371+","","","0.71069","MoKα","","0.0634","0.0434","","","0.0892","0.0986","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083797","16.9585","0.0011","16.6614","0.001","20.4281","0.0015","90","","112.585","0.002","90","","5329.4","0.6","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","9-germaanthracene_dimer","","","- C100 H168 Ge2 Si14 -","- C100 H168 Ge2 Si14 -","- C200 H336 Ge4 Si28 -","2","0.5","","Sasamori, Takahiro; Inamura, Koji; Hoshino, Wataru; Nakata, Norio; Mizuhata, Yoshiyuki; Watanabe, Yasuaki; Furukawa, Yukio; Tokitoh, Norihiro","Synthesis and Characterization of Two Isomers of 14π-Electron Germaaromatics: Kinetically Stabilized 9-Germaanthracene and 9-Germaphenanthrene","Organometallics","2006","25","15","3533","","10.1021/om060371+","","","0.7107","MoKα","","0.0446","0.0401","","","0.0869","0.0891","","","","","","1.136","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083798","8.7967","0.0018","13.448","0.003","15.832","0.003","86.44","0.03","88.89","0.03","71.43","0.03","1772","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H23 B Cl4 F4 N4 O4 Ru2 -","- C34 H23 B Cl4 F4 N4 O4 Ru2 -","- C68 H46 B2 Cl8 F8 N8 O8 Ru4 -","2","1","","Patra, Sanjib K.; Bera, Jitendra K.","Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit","Organometallics","2006","25","26","6054","","10.1021/om060774+","","","0.71073","MoKα","","0.0724","0.0496","","","0.1095","0.1208","","","","","","1","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4083799","11.6387","0.0007","20.9611","0.0013","28.5005","0.0017","90","","90","","90","","6953","0.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C33 H25 B Cl2 F4 N4 O6 Ru2 -","- C33 H25 B Cl2 F4 N4 O6 Ru2 -","- C264 H200 B8 Cl16 F32 N32 O48 Ru16 -","8","1","","Patra, Sanjib K.; Bera, Jitendra K.","Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit","Organometallics","2006","25","26","6054","","10.1021/om060774+","","","0.71073","MoKα","","0.0729","0.0597","","","0.112","0.1166","","","","","","1.241","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4083800","10.9954","0.0014","20.666","0.003","15.687","0.002","90","","106.961","0.002","90","","3409.5","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H15 B F4 N4 O4 Ru2 S2 -","- C28 H15 B F4 N4 O4 Ru2 S2 -","- C112 H60 B4 F16 N16 O16 Ru8 S8 -","4","1","","Patra, Sanjib K.; Bera, Jitendra K.","Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit","Organometallics","2006","25","26","6054","","10.1021/om060774+","","","0.71073","MoKα","","0.0924","0.061","","","0.1411","0.1543","","","","","","0.961","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4083801","16.2584","0.0008","8.3","0.0004","19.3585","0.001","90","","109.431","0.001","90","","2463.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl3 N2 O6 Rh2 -","- C21 H19 Cl3 N2 O6 Rh2 -","- C84 H76 Cl12 N8 O24 Rh8 -","4","1","","Patra, Sanjib K.; Bera, Jitendra K.","Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit","Organometallics","2006","25","26","6054","","10.1021/om060774+","","","0.71073","MoKα","","0.0386","0.0355","","","0.0928","0.0949","","","","","","1.065","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4083802","11.6974","0.0017","22.563","0.003","21.13","0.003","90","","95.951","0.003","90","","5546.8","1.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 B2 Cl6 F8 N6 O4 Rh2 -","- C47 H42 B2 Cl6 F8 N6 O4 Rh2 -","- C188 H168 B8 Cl24 F32 N24 O16 Rh8 -","4","1","","Patra, Sanjib K.; Bera, Jitendra K.","Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit","Organometallics","2006","25","26","6054","","10.1021/om060774+","","","0.71073","MoKα","","0.1353","0.0866","","","0.1777","0.2016","","","","","","1.067","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4083803","6.7464","0.0005","14.2479","0.001","8.4038","0.0006","90","","112.833","0.004","90","","744.49","0.1","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H18 I N3 Pt -","- C13 H18 I N3 Pt -","- C26 H36 I2 N6 Pt2 -","2","0.5","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.053","0.0323","","","0.0556","0.0594","","","","","","0.925","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083804","4.0239","0.0003","19.5685","0.0014","15.3161","0.001","90","","96.298","0.004","90","","1198.74","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl N2 O Pt -","- C12 H11 Cl N2 O Pt -","- C48 H44 Cl4 N8 O4 Pt4 -","4","1","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.1144","0.0988","","","0.2624","0.2705","","","","","","1.083","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083805","9.9704","0.0003","10.1342","0.0003","11.7173","0.0004","90","","94.027","0.002","90","","1181.02","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Cl2 N3 Pt -","- C10 H9 Cl2 N3 Pt -","- C40 H36 Cl8 N12 Pt4 -","4","1","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.0577","0.0334","","","0.0606","0.0664","","","","","","0.967","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083806","8.2846","0.0002","14.8183","0.0004","16.5","0.0004","90","","90","","90","","2025.6","0.09","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 F6 N2 O9 Pt S2 -","- C13 H12 F6 N2 O9 Pt S2 -","- C52 H48 F24 N8 O36 Pt4 S8 -","4","1","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.0397","0.0333","","","0.0726","0.075","","","","","","1.083","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083807","22.1033","0.0004","21.9063","0.0003","12.9826","0.0002","90","","90","","90","","6286.19","0.17","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H22 F6 N4 O10.5 Pt2 S2 -","- C26 H22 F6 N4 O10.5 Pt2 S2 -","- C208 H176 F48 N32 O84 Pt16 S16 -","8","1","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.0776","0.0485","","","0.1147","0.1265","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083808","15.7153","0.0008","12.44","0.0005","8.7904","0.0004","90","","90","","90","","1718.51","0.14","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H17 Cl3 N2 O Pt -","- C15 H17 Cl3 N2 O Pt -","- C60 H68 Cl12 N8 O4 Pt4 -","4","0.5","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.0757","0.0473","","","0.1105","0.1215","","","","","","1.043","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083809","10.572","0.001","13.172","0.001","13.501","0.001","86.396","0.001","67.056","0.001","87.169","0.001","1727.3","0.2","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 O2 P2 -","- C42 H40 O2 P2 -","- C84 H80 O4 P4 -","2","1","","Siutkowski, Magali; Mercier, François; Ricard, Louis; Mathey, François","C2-BIPNOR: An Easily Accessible Homologue of BIPNOR for Asymmetric Catalysis","Organometallics","2006","25","10","2585","","10.1021/om060118+","","","0.71069","MoKα","","0.0591","0.0461","","","0.1357","0.1455","","","","","","1.074","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083810","17.66","0.005","18.503","0.005","19.066","0.005","90","","90","","90","","6230","3","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H70 Cl6 N2 P2 Pd2 -","- C64 H70 Cl6 N2 P2 Pd2 -","- C256 H280 Cl24 N8 P8 Pd8 -","4","1","","Siutkowski, Magali; Mercier, François; Ricard, Louis; Mathey, François","C2-BIPNOR: An Easily Accessible Homologue of BIPNOR for Asymmetric Catalysis","Organometallics","2006","25","10","2585","","10.1021/om060118+","","","0.71069","MoKα","","0.0704","0.0601","","","0.1609","0.1694","","","","","","1.034","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083811","12.737","0.005","16.766","0.005","20.593","0.005","90","0.005","90","0.005","90","0.005","4398","2","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H50 F6 P3 Rh -","- C50 H50 F6 P3 Rh -","- C200 H200 F24 P12 Rh4 -","4","1","","Siutkowski, Magali; Mercier, François; Ricard, Louis; Mathey, François","C2-BIPNOR: An Easily Accessible Homologue of BIPNOR for Asymmetric Catalysis","Organometallics","2006","25","10","2585","","10.1021/om060118+","","","0.71069","MoKα","","0.0558","0.049","","","0.1243","0.1293","","","","","","1.004","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083812","9.7577","0.001","12.6044","0.0014","18.6464","0.0019","94.371","0.003","94.356","0.003","96.86","0.003","2261.9","0.4","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H64 Cl0 Fe N Ni P -","- C51 H64 Fe N Ni P -","- C102 H128 Fe2 N2 Ni2 P2 -","2","1","","Weng, Zhiqiang; Teo, Shihui; Hor, T. S. Andy","Stabilization of Nickel(0) by Hemilabile P,N-Ferrocene Ligands and Their Ethylene Oligomerization Activities","Organometallics","2006","25","20","4878","","10.1021/om060607+","","","0.71073","MoKα","","0.1436","0.0999","","","0.1957","0.2125","","","","","","1.16","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083813","11.0651","0.0008","15.21","0.0011","17.6504","0.0012","86.609","0.002","80.427","0.002","83.41","0.002","2907.4","0.4","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H52 F10 Fe2 N2 Ni O2 P2 -","- C66 H52 F10 Fe2 N2 Ni O2 P2 -","- C132 H104 F20 Fe4 N4 Ni2 O4 P4 -","2","1","","Weng, Zhiqiang; Teo, Shihui; Hor, T. S. Andy","Stabilization of Nickel(0) by Hemilabile P,N-Ferrocene Ligands and Their Ethylene Oligomerization Activities","Organometallics","2006","25","20","4878","","10.1021/om060607+","","","0.71073","MoKα","","0.0978","0.0652","","","0.1586","0.1741","","","","","","1.032","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083814","11.877","0.01","12.266","0.01","13.875","0.011","90.175","0.012","94.556","0.009","99.764","0.012","1985","3","173.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H37 Cl2 I O2 P2 Pd -","- C43 H37 Cl2 I O2 P2 Pd -","- C86 H74 Cl4 I2 O4 P4 Pd2 -","2","1","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.086","","","","0.123","","","","","","1.247","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083815","16.616","0.003","10.991","0.002","16.714","0.003","90","","117.461","0.002","90","","2708.5","0.8","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 I O2 P2 Pd -","- C30 H23 I O2 P2 Pd -","- C120 H92 I4 O8 P8 Pd4 -","4","1","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.027","","","","0.045","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083816","10.403","0.002","15.074","0.003","19.608","0.004","90","","94.774","0.003","90","","3064.2","1.1","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 I O2 P2 Pd -","- C34 H31 I O2 P2 Pd -","- C136 H124 I4 O8 P8 Pd4 -","4","1","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.062","","","","0.091","","","","","","1.392","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083817","29.0236","0.0011","14.3539","0.0007","13.7154","0.0008","90","","90","","90","","5713.9","0.5","173.1","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H23 I O2 P2 Pd -","- C14 H23 I O2 P2 Pd -","- C168 H276 I12 O24 P24 Pd12 -","12","1.5","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.028","","","","0.037","","","","","","0.544","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083818","8.343","0.002","12.441","0.003","22.069","0.005","87.899","0.005","83.911","0.005","82.008","0.005","2255.1","0.9","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H31 I O2 P2 Pd -","- C18 H31 I O2 P2 Pd -","- C72 H124 I4 O8 P8 Pd4 -","4","2","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.027","","","","0.042","","","","","","0.714","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083819","10.0692","0.0011","10.389","0.0011","15.644","0.002","94.457","0.005","94.32","0.004","104.988","0.006","1568.3","0.3","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H47 I O2 P2 Pd -","- C30 H47 I O2 P2 Pd -","- C60 H94 I2 O4 P4 Pd2 -","2","1","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.036","","","","0.059","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083820","32.95","0.007","10.67","0.002","16.74","0.004","90","","90","","90","","5885","2","173.1","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H43 I N4 O2 P2 Pd -","- C22 H43 I N4 O2 P2 Pd -","- C176 H344 I8 N32 O16 P16 Pd8 -","8","1","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.042","","","","0.081","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083822","7.7014","0.0008","12.2733","0.0006","16.2955","0.0008","90","","97.224","0.006","90","","1528.05","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br2 N5 Ni -","- C13 H13 Br2 N5 Ni -","- C52 H52 Br8 N20 Ni4 -","4","1","","Inamoto, Kiyofumi; Kuroda, Jun-ichi; Hiroya, Kou; Noda, Yukio; Watanabe, Masashi; Sakamoto, Takao","Synthesis and Catalytic Activity of a Pincer-Type Bis(imidazolin-2-ylidene) Nickel(II) Complex","Organometallics","2006","25","12","3095","","10.1021/om060043+","","","0.71069","MoKα","","0.0542","0.0414","","","0.0881","0.0934","","","","","","1.034","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083823","12.2933","0.0011","48.841","0.004","16.6524","0.0016","90","","96.913","0.002","90","","9925.7","1.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C105 H102 Au4 Cl6 O4 P4 -","- C105 H102 Au4 Cl6 O4 P4 -","- C420 H408 Au16 Cl24 O16 P16 -","4","1","","Habermehl, Nicolle C.; Eisler, Dana J.; Kirby, Christopher W.; Yue, Nancy L.-S.; Puddephatt, Richard J.","A Structural Probe for Organogold(I) Rings and [2]Catenanes","Organometallics","2006","25","12","2921","2928","10.1021/om0601706","","","0.71073","MoKα","","0.1608","0.0657","","","0.1469","0.1755","","","","","","0.92","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083824","11.3845","0.0008","17.4859","0.0012","16.5863","0.0011","90","","106.129","0.001","90","","3171.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H56 B2 P2 Si2 Sn -","- C22 H56 B2 P2 Si2 Sn -","- C88 H224 B8 P8 Si8 Sn4 -","4","1","","Izod, Keith; McFarlane, William; Tyson, Brent V.; Carr, Ian; Clegg, William; Harrington, Ross W.","Stabilization of a Dialkylstannylene by Unusual B‒H···Sn γ-Agostic-Type Interactions. A Structural, Spectroscopic, and DFT Study","Organometallics","2006","25","5","1135","1143","10.1021/om0600036","","","0.6898","synchrotron","","0.0222","0.0213","","","0.0543","0.0547","","","","","","1.041","","","","has coordinates","209840","2020-10-21","18:00:00",""
"4083825","7.0626","0.0004","11.9388","0.0006","37.699","0.002","90","","93.165","0.002","90","","3173.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H56 B2 P2 Si2 Sn -","- C22 H56 B2 P2 Si2 Sn -","- C88 H224 B8 P8 Si8 Sn4 -","4","1","","Izod, Keith; McFarlane, William; Tyson, Brent V.; Carr, Ian; Clegg, William; Harrington, Ross W.","Stabilization of a Dialkylstannylene by Unusual B‒H···Sn γ-Agostic-Type Interactions. A Structural, Spectroscopic, and DFT Study","Organometallics","2006","25","5","1135","1143","10.1021/om0600036","","","0.71073","MoKα","","0.0571","0.0487","","","0.0994","0.1028","","","","","","1.196","","","","has coordinates","209840","2020-10-21","18:00:00",""
"4083826","13.5277","0.0003","13.5151","0.0003","20.3801","0.0005","90","","107.892","0.001","90","","3545.86","0.14","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl2 Cr I3 N O4 P2 -","- C30 H33 Cl2 Cr I3 N O4 P2 -","- C120 H132 Cl8 Cr4 I12 N4 O16 P8 -","4","1","","Agapie, Theodor; Day, Michael W.; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","A Chromium-Diphosphine System for Catalytic Ethylene Trimerization: Synthetic and Structural Studies of Chromium Complexes with a Nitrogen-Bridged Diphosphine Ligand withortho-Methoxyaryl Substituents","Organometallics","2006","25","11","2733","","10.1021/om050605+","","","0.71073","MoKα","","0.0533","0.0335","","","0.0499","0.0516","","","","","","1.405","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4083827","9.7683","0.0006","16.6273","0.001","20.9934","0.0013","90","","94.99","0.001","90","","3396.8","0.4","98","2","98","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 Cl4 Cr N O4 P2 -","- C31 H36 Cl4 Cr N O4 P2 -","- C124 H144 Cl16 Cr4 N4 O16 P8 -","4","1","","Agapie, Theodor; Day, Michael W.; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","A Chromium-Diphosphine System for Catalytic Ethylene Trimerization: Synthetic and Structural Studies of Chromium Complexes with a Nitrogen-Bridged Diphosphine Ligand withortho-Methoxyaryl Substituents","Organometallics","2006","25","11","2733","","10.1021/om050605+","","","0.71073","MoKα","","0.0899","0.0618","","","0.0988","0.1013","","","","","","2.76","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4083828","11.7105","0.0005","16.3059","0.0008","19.3321","0.0009","90","","102.333","0.001","90","","3606.3","0.3","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 Cr N O9 P2 -","- C37 H39 Cr N O9 P2 -","- C148 H156 Cr4 N4 O36 P8 -","4","1","","Agapie, Theodor; Day, Michael W.; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","A Chromium-Diphosphine System for Catalytic Ethylene Trimerization: Synthetic and Structural Studies of Chromium Complexes with a Nitrogen-Bridged Diphosphine Ligand withortho-Methoxyaryl Substituents","Organometallics","2006","25","11","2733","","10.1021/om050605+","","","0.71073","MoKα","","0.0638","0.0394","","","0.062","0.0642","","","","","","1.755","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4083829","9.652","0.001","12.3096","0.0012","12.1615","0.0012","90","","90","","90","","1444.9","0.3","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H23 Cr N O -","- C15 H23 Cr N O -","- C60 H92 Cr4 N4 O4 -","4","0.5","","Norman, David W.; Ferguson, Michael J.; McDonald, Robert; Stryker, Jeffrey M.","s-trans-Diene Complexes of a First-Row Transition Metal. Half-Sandwichs-trans-η4-1,3-Diene Nitrosyl Complexes of Chromium","Organometallics","2006","25","11","2705","","10.1021/om050847+","","","0.71073","MoKα","","0.0455","0.0418","","","0.1177","0.1212","","","","","","1.158","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083830","8.5929","0.0007","23.7465","0.0019","8.5735","0.0007","90","","116.89","0.0011","90","","1560.3","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Cr N O -","- C16 H25 Cr N O -","- C64 H100 Cr4 N4 O4 -","4","1","","Norman, David W.; Ferguson, Michael J.; McDonald, Robert; Stryker, Jeffrey M.","s-trans-Diene Complexes of a First-Row Transition Metal. Half-Sandwichs-trans-η4-1,3-Diene Nitrosyl Complexes of Chromium","Organometallics","2006","25","11","2705","","10.1021/om050847+","","","0.71073","MoKα","","0.0611","0.0466","","","0.1242","0.1376","","","","","","1.074","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083831","12.3077","0.0015","13.0033","0.0015","12.7883","0.0015","90","","106.697","0.002","90","","1960.4","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 Cr N O2 Si -","- C17 H29 Cr N O2 Si -","- C68 H116 Cr4 N4 O8 Si4 -","4","1","","Norman, David W.; Ferguson, Michael J.; McDonald, Robert; Stryker, Jeffrey M.","s-trans-Diene Complexes of a First-Row Transition Metal. Half-Sandwichs-trans-η4-1,3-Diene Nitrosyl Complexes of Chromium","Organometallics","2006","25","11","2705","","10.1021/om050847+","","","0.71073","MoKα","","0.0909","0.0473","","","0.1004","0.1165","","","","","","1","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083832","12.4644","0.0014","7.3878","0.0008","12.7022","0.0014","90","","115.484","0.002","90","","1055.9","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 B Cr N O3 -","- C10 H8 B Cr N O3 -","- C40 H32 B4 Cr4 N4 O12 -","4","1","","Pan, Jun; Wang, Jia; Banaszak Holl, Mark M.; Kampf, Jeff W.; Ashe, Arthur J.","Haptotropic Migration from the Six- to the Five-Membered Ring of (3a,7a-Azaborindenyl)tricarbonylchromium Anion","Organometallics","2006","25","14","3463","","10.1021/om060239+","","","0.71073","MoKα","","0.0254","0.0245","","","0.0683","0.0691","","","","","","1.062","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083833","17.603","0.004","6.8267","0.0016","14.229","0.003","90","","113.281","0.003","90","","1570.7","0.6","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 B Cr N O3 Sn -","- C13 H16 B Cr N O3 Sn -","- C52 H64 B4 Cr4 N4 O12 Sn4 -","4","1","","Pan, Jun; Wang, Jia; Banaszak Holl, Mark M.; Kampf, Jeff W.; Ashe, Arthur J.","Haptotropic Migration from the Six- to the Five-Membered Ring of (3a,7a-Azaborindenyl)tricarbonylchromium Anion","Organometallics","2006","25","14","3463","","10.1021/om060239+","","","0.71073","MoKα","","0.0255","0.0197","","","0.0488","0.0515","","","","","","1.094","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083834","12.183","0.001","14.839","0.002","15.701","0.002","90","","91.057","0.002","90","","2838","0.6","153.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 Ir N2 P2 Si -","- C25 H43 Ir N2 P2 Si -","- C100 H172 Ir4 N8 P8 Si4 -","4","1","","Karshtedt, Dmitry; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Reactions Involving Si−H Bond Activations by Rh and Ir Complexes Containing a Pyridylindolide Ligand","Organometallics","2006","25","19","4471","","10.1021/om060492+","","","0.7107","MoKα","","0.0619","0.0315","","0.0424","","0.0355","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083835","12.3332","0.0009","10.7187","0.0008","24.159","0.002","90","","93.879","0.001","90","","3186.4","0.4","119.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 Rh -","- C21 H21 N2 Rh -","- C168 H168 N16 Rh8 -","8","2","","Karshtedt, Dmitry; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Reactions Involving Si−H Bond Activations by Rh and Ir Complexes Containing a Pyridylindolide Ligand","Organometallics","2006","25","19","4471","","10.1021/om060492+","","","0.7107","MoKα","","","0.0368","","","","0.0388","","","","","","1.27","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083836","10.746","0.0007","11.5942","0.0008","14.648","0.001","98.463","0.001","98.369","0.001","110.232","0.001","1655.39","0.19","161.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H37 Ir N2 Si2 -","- C39 H37 Ir N2 Si2 -","- C78 H74 Ir2 N4 Si4 -","2","1","","Karshtedt, Dmitry; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Reactions Involving Si−H Bond Activations by Rh and Ir Complexes Containing a Pyridylindolide Ligand","Organometallics","2006","25","19","4471","","10.1021/om060492+","","","0.7107","MoKα","","0.0283","0.0229","","0.0276","","0.0266","","","","","","1.158","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083837","10.979","0.001","15.36","0.001","19.484","0.002","90","","90","","90","","3285.7","0.5","143.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Ir N2 P Si -","- C37 H40 Ir N2 P Si -","- C148 H160 Ir4 N8 P4 Si4 -","4","1","","Karshtedt, Dmitry; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Reactions Involving Si−H Bond Activations by Rh and Ir Complexes Containing a Pyridylindolide Ligand","Organometallics","2006","25","19","4471","","10.1021/om060492+","","","0.7107","MoKα","","0.0463","0.0341","","0.04","","0.0368","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4086068","11.8617","","11.8617","","5.6519","","90","","90","","90","","795.222","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Si (C H2 O H)4","","- C4 H12 O4 Si -","- C4 H12 O4 Si -","- C16 H48 O16 Si4 -","4","0.25","","Ilg, R.; Troegel, D.; Burschka, C.; Tacke, R.","Tetrafunctional silanes of the formula type Si (C H2)4 X (X = S Ac, S H, O Ac, O H, Br, I)","Organometallics","2006","25","","548","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086069","9.3971","","9.4013","","27.0781","","90","","90","","90","","2392.21","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Si (C H2 I)4","","- C4 H8 I4 Si -","- C4 H8 I4 Si -","- C32 H64 I32 Si8 -","8","2","","Ilg, R.; Troegel, D.; Burschka, C.; Tacke, R.","Tetrafunctional silanes of the formula type Si (C H2)4 X (X = S Ac, S H, O Ac, O H, Br, I)","Organometallics","2006","25","","548","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086070","8.7291","","8.7291","","6.8619","","90","","90","","90","","522.857","","","","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","Si (C H2 Br)4","","- C4 H8 Br4 Si -","- C4 H8 Br4 Si -","- C8 H16 Br8 Si2 -","2","0.25","","Ilg, R.; Troegel, D.; Burschka, C.; Tacke, R.","Tetrafunctional silanes of the formula type Si (C H2)4 X (X = S Ac, S H, O Ac, O H, Br, I)","Organometallics","2006","25","","548","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4089345","10.638","0.004","11.351","0.003","12.251","0.004","97.89","0.02","110.574","0.008","91.28","0.02","1367.9","0.8","213.2","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H27 B F4 N3 P Pd2 -","- C27 H22 B F4 N3 P Pd2 -","- C54 H44 B2 F8 N6 P2 Pd4 -","2","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M‘L‘]BF4. 1. Specific Synthesis of Isomeric Heterodinuclear Complexes with Switched Metal Arrangements","Organometallics","2006","25","6","1344","","10.1021/om050896m","","","0.7107","MoKα","","","0.0658","","","","0.1746","","","","","","0.882","","","","has coordinates","243614","2020-10-21","18:00:00",""
"4089346","12.795","0.003","13.033","0.004","14.044","0.005","99.43","0.01","103.25","0.02","91.89","0.02","2242.7","1.2","213","","213","","","","","","","","","9","P -1","-P 1","2","","","","- C39 H45 B Cl4 F4 Ir N3 P Rh -","- C39 H41 B Cl4 F4 Ir N3 P Rh -","- C78 H82 B2 Cl8 F8 Ir2 N6 P2 Rh2 -","2","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M‘L‘]BF4. 1. Specific Synthesis of Isomeric Heterodinuclear Complexes with Switched Metal Arrangements","Organometallics","2006","25","6","1344","","10.1021/om050896m","","","0.7107","MoKα","","","0.0907","","","","0.266","","","","","","1.983","","","","has coordinates","243614","2020-10-21","18:00:00",""
"4089347","13.3185","0.0009","13.5907","0.0011","20.569","0.0019","81.075","0.004","88.287","0.005","63.849","0.004","3298.5","0.5","200","2","200","2","","","","","","","","8","P 1","P 1","1","","","","- C60 H60 B2 F8 N4 P2 Pd2 S2 -","- C60 H60 B2 F8 N4 P2 Pd2 S2 -","- C120 H120 B4 F16 N8 P4 Pd4 S4 -","2","2","","Cabeza, Javier A.; del Río, Ignacio; Sánchez-Vega, M. Gabriela; Suárez, Marta","Methyl Levamisolium Triflate as a Precursor to a Chiral Bifunctional N-Heterocyclic Carbene-Thiolate Ligand: Palladium(II) Complexes†","Organometallics","2006","25","7","1831","","10.1021/om060042h","","","1.5418","CuKα","","0.139","0.1281","","","0.3591","0.4123","","","","","","1.017","","","","has coordinates","243615","2020-10-21","18:00:00",""
"4100996","9.7103","0.0019","23.907","0.005","20.636","0.004","90","","102.67","0.03","90","","4674.1","1.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C119 H94 O P4 Pd2 -","- C119 H94 O P4 Pd2 -","- C238 H188 O2 P8 Pd4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja045533c","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100997","16.3553","0.0012","19.5546","0.0014","13.4403","0.001","90","","126.865","0.001","90","","3439","0.4","193","2","193","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","holjs30","","","- C72 H82 Fe2 N6 -","- C72 H82 Fe2 N6 -","- C144 H164 Fe4 N12 -","2","0.25","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100998","12.7937","0.0012","17.3151","0.0016","12.9685","0.0012","90","","101.737","0.001","90","","2812.8","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holjv41","","","- C58 H82 Fe2 N6 -","- C58 H82 Fe2 N6 -","- C116 H164 Fe4 N12 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4100999","13.363","0.004","21.255","0.006","29.433","0.008","90","","96.299","0.004","90","","8310","4","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C86 H132 Fe2 N8 -","- C86 H132 Fe2 N8 -","- C344 H528 Fe8 N32 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4101000","13.5361","0.0019","29.694","0.004","22.447","0.003","90","","94.282","0.003","90","","8997","2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","holjs72a","","","- C92 H142 Fe2 N8 O -","- C92 H132 Fe2 N8 O -","- C368 H528 Fe8 N32 O4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101001","13.8051","0.0009","13.995","0.0009","16.1895","0.001","90","","91.155","0.001","90","","3127.2","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Fe N2 -","- C35 H47 Fe N2 -","- C140 H188 Fe4 N8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101002","12.226","0.002","13.316","0.003","14.41","0.003","91.312","0.003","98.647","0.003","114.896","0.002","2094","0.7","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H56 Fe N2 P -","- C47 H56 Fe N2 P -","- C94 H112 Fe2 N4 P2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101003","14.0433","0.0009","21.5586","0.0013","10.1035","0.0006","90","","90","","90","","3058.9","0.3","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H41 Fe N2 O3 -","- C32 H41 Fe N2 O3 -","- C128 H164 Fe4 N8 O12 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101004","9.6385","0.0011","12.4655","0.0015","16.2437","0.0019","97.662","0.002","97.704","0.002","112.12","0.002","1755.4","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.2 H53 Fe N2 O2.2 -","- C37.201 H53 Fe N2 O2.201 -","- C74.402 H106 Fe2 N4 O4.402 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101005","11.7555","0.0018","28.352","0.004","20.585","0.003","90","","92.379","0.003","90","","6854.7","1.8","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","holjs96","","","- C74 H98 Fe2 N4 O2 -","- C74 H98 Fe2 N4 O2 -","- C296 H392 Fe8 N16 O8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101006","16.0031","0.0014","18.6541","0.0017","21.0993","0.0019","90","","90","","90","","6298.6","1","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H91 Fe2 K2 N6 O -","- C62 H91 Fe2 K2 N6 O -","- C248 H364 Fe8 K8 N24 O4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101007","12.816","0.0011","13.1961","0.0011","17.9793","0.0015","78.258","0.002","82.836","0.002","71.608","0.002","2819","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H85 Cl Fe K N2 O6 -","- C54 H85 Cl Fe K N2 O6 -","- C108 H170 Cl2 Fe2 K2 N4 O12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101009","6.2166","0.001","15.089","0.002","16.799","0.002","107.171","0.004","94.69","0.004","90.315","0.004","1499.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H14 Cr2 N2 O14 -","- C28 H14 Cr2 N2 O14 -","- C56 H28 Cr4 N4 O28 -","2","1","","Holovics, Thomas C.; Robinson, Randall E.; Weintrob, Edward C.; Toriyama, Masaharu; Lushington, Gerald H.; Barybin, Mikhail V.","The 2,6-Diisocyanoazulene Motif: Synthesis and Efficient Mono- and Heterobimetallic Complexation with Controlled Orientation of the Azulenic Dipole","Journal of the American Chemical Society","2006","","","","","10.1021/ja053933+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101010","6.2559","0.0006","15.4223","0.0016","16.875","0.0018","72.543","0.002","83.755","0.002","89.148","0.002","1543.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H14 N2 O14 W2 -","- C28 H14 N2 O14 W2 -","- C56 H28 N4 O28 W4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja053933+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101011","24.13","0.015","12.02","0.008","16.008","0.01","90","","90","","90","","4643","5","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C23 H14 Cr N2 O9 -","- C23 H14 Cr N2 O9 -","- C184 H112 Cr8 N16 O72 -","8","","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja053933+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101012","8.36","0.002","9.532","0.002","11.001","0.002","102.004","0.004","94.342","0.004","101.493","0.004","834","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O5 -","- C18 H16 N2 O5 -","- C36 H32 N4 O10 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja053933+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101013","6.1937","0.0018","15.113","0.004","16.539","0.005","70.803","0.004","84.905","0.006","89.794","0.006","1455.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H14 Cr N2 O14 W -","- C28 H14 Cr N2 O14 W -","- C56 H28 Cr2 N4 O28 W2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja053933+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101014","6.185","0.0008","15.064","0.002","16.651","0.002","108.973","0.002","94.978","0.002","90.019","0.002","1460.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H14 Cr N2 O14 W -","- C28 H14 Cr N2 O14 W -","- C56 H28 Cr2 N4 O28 W2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja053933+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101015","11.318","0.005","12.903","0.006","19.536","0.008","90","","90","","90","","2853","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 I N O5 Si -","- C25 H42 I N O5 Si -","- C100 H168 I4 N4 O20 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0547477","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101016","21.478","0.006","8.597","0.002","36.446","0.01","90","","94.718","0.005","90","","6707","3","163","2","163","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H88 I N O15 Si -","- C57 H88 I N O15 Si -","- C228 H352 I4 N4 O60 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054748z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101017","8.928","0.002","11.884","0.003","12.955","0.003","95.42","0.01","109.67","0.01","107.105","0.006","1208.1","0.5","296.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H30 O5 -","- C19.3333 H20 O3.33333 -","- C58 H60 O10 -","3","1.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0552895","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101018","15.752","0.004","10.65","0.003","19.51","0.005","90","","113.16","0.05","90","","3009.2","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Cu N3 P2 S2 -","- C30 H30 Cu N3 P2 S2 -","- C120 H120 Cu4 N12 P8 S8 -","4","0.5","","Lorenzo Barbieri; Roberto Pattacini; Lisa Elviri; Claudia Graiff; Antonio Tiripicchio; Maurizio Lanfranchi; Alessandro Stercoli","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0554110","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101019","20.777","0.01","14.173","0.01","21.317","0.01","90","","117.894","0.01","90","","5548","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H52 Ag2 N6 P4 S4 -","- C56 H52 Ag2 N6 P4 S4 -","- C224 H208 Ag8 N24 P16 S16 -","4","1","","Lorenzo Barbieri; Claudia Graiff; Lisa Elviri; Maurizio Lanfranchi; Roberto Pattacini; Alessandro Stercoli; Antonio Tiripicchio","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0554110","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101020","15.81","0.005","10.699","0.004","19.258","0.007","90","","113.459","0.008","90","","2988","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Au N3 P2 S2 -","- C30 H30 Au N3 P2 S2 -","- C120 H120 Au4 N12 P8 S8 -","4","1","","Lorenzo Barbieri; Claudia Graiff; Lisa Elviri; Maurizio Lanfranchi; Roberto Pattacini; Alessandro Stercoli; Antonio Tiripicchio","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0554110","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101021","25.679","0.005","14.502","0.005","30.087","0.005","90","","109.262","0.005","90","","10577","5","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C86.5 H82 Cl4 Cu5 F12 N9 O0.5 P8 S6 -","- C86.5 H82 Cl4 Cu5 F12 N9 O0.5 P8 S6 -","- C346 H328 Cl16 Cu20 F48 N36 O2 P32 S24 -","4","1","","Lorenzo Barbieri; Claudia Graiff; Lisa Elviri; Maurizio Lanfranchi; Roberto Pattacini; Alessandro Stercoli; Antonio Tiripicchio","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0554110","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101022","17.955","0.005","17.955","0.005","17.601","0.004","90","","90","","120","","4914","2","293","2","293","2","","","","","","","","9","P -3","-P 3","147","","","","- C90 H90 Ag2 B2 Cu3 F8 N9 P6 S6 -","- C90 H90 Ag2 B2 Cu3 F8 N9 P6 S6 -","- C180 H180 Ag4 B4 Cu6 F16 N18 P12 S12 -","2","0.333333","","Lorenzo Barbieri; Claudia Graiff; Lisa Elviri; Maurizio Lanfranchi; Roberto Pattacini; Alessandro Stercoli; Antonio Tiripicchio","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0554110","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101023","16.478","0.01","26.693","0.01","52.329","0.01","90","","94.046","0.01","90","","22959","17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H94 Ag5 F12 N9 P8 S6 -","- C98 H78 Ag5 F12 N9 P8 S6 -","- C784 H624 Ag40 F96 N72 P64 S48 -","8","2","","Lorenzo Barbieri; Claudia Graiff; Lisa Elviri; Maurizio Lanfranchi; Roberto Pattacini; Alessandro Stercoli; Antonio Tiripicchio","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0554110","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101024","15.701","0.007","13.75","0.005","17.964","0.006","90","","98.935","0.009","90","","3831","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C66 H68 Ag4 F6 N6 O7 P4 S6 -","- C66 H60 Ag4 F6 N6 O7 P4 S6 -","- C132 H120 Ag8 F12 N12 O14 P8 S12 -","2","0.5","","Lorenzo Barbieri; Claudia Graiff; Lisa Elviri; Maurizio Lanfranchi; Roberto Pattacini; Alessandro Stercoli; Antonio Tiripicchio","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0554110","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101025","11.6168","0.001","13.0844","0.0011","13.6744","0.0014","101.843","0.003","97.06","0.003","91.771","0.003","2015.5","0.3","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 Cl10 N6 O2 Ru -","- C33 H26 Cl10 N6 O2 Ru -","- C66 H52 Cl20 N12 O4 Ru2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055523r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101026","16.08","0.002","11.4124","0.0015","15.735","0.002","90","","105.406","0.003","90","","2783.7","0.7","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N4 O2 Ru S3 -","- C31 H26 N4 O2 Ru S3 -","- C124 H104 N16 O8 Ru4 S12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055523r","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101027","16.8289","0.0016","12.6197","0.0016","13.8203","0.0015","90","","94.394","0.006","90","","2926.5","0.6","143","1","143","1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C35 H30 Cl N7 O3.5 Ru -","- C33.057 H26.09 Cl N6.0285 O3.5 Ru -","- C132.228 H104.36 Cl4 N24.114 O14 Ru4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055523r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101028","11.1733","0.0004","6.7391","0.0003","9.7645","0.0003","90","","111.347","0.002","90","","684.8","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-N3-Dpg-Square","","","- C12 H12 Co N8 O2 -","- C12 H12 Co N8 O2 -","- C24 H24 Co2 N16 O4 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055725n","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101029","10.6544","0.0002","13.4568","0.0004","13.4163","0.0003","90","","106.056","0.001","90","","1848.52","0.08","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Co-N3-Bpg-Honeycomb","","","- C14 H18 Co N8 O3 S -","- C14 H10 Co N8 O3 S -","- C56 H40 Co4 N32 O12 S4 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055725n","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101030","13.5054","0.0002","19.815","0.0003","11.6353","0.0002","90","","96.5779","0.0007","90","","3093.22","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-N3-Bpg-Kagome","","","- C48 H64 Co3 N28 O10 -","- C48 H54 Co3 N28 O10 -","- C96 H108 Co6 N56 O20 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja055725n","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101031","19.939","0.0014","15.3384","0.0011","19.9882","0.0014","90","","107.762","0.001","90","","5821.6","0.7","136","2","136","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H70 B2 F8 O4 P2 Pd -","- C58 H82 B2 F8 O6 P2 Pd2 -","- C232 H328 B8 F32 O24 P8 Pd8 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0558995","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101032","9.353","0.0006","10.7036","0.0007","35.701","0.002","90","","92.368","0.001","90","","3571","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 N O3 Ru -","- C46 H37 N O3 Ru -","- C184 H148 N4 O12 Ru4 -","4","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101033","38.035","0.003","10.1353","0.0009","20.3079","0.0018","90","","103.913","0.001","90","","7599","1.2","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MoH(tBu(H)C=NAr)(N[Np]Ar)3","","","- C39 H60 Mo N3 -","- C39 H60 Mo N3 -","- C312 H480 Mo8 N24 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101034","10.085","0.002","31.275","0.007","12.676","0.003","90","","102.704","0.004","90","","3900.4","1.4","173","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NMo(N[Np]Ar)3","","","- C39 H60 Mo N4 -","- C39 H60 Mo N4 -","- C156 H240 Mo4 N16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101035","15.8927","0.0008","15.8927","0.0008","14.4775","0.0015","90","","90","","120","","3166.8","0.4","183","2","193","2","","","","","","","","6","P -3","-P 3","147","[Na(THF)3)][NNb(N[Np]Ar)3]","","","- C51 H84 N4 Na Nb O3 -","- C51 H84 N4 Na Nb O3 -","- C102 H168 N8 Na2 Nb2 O6 -","2","0.333333","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101036","15.078","0.003","13.465","0.002","19.827","0.003","90","","92.02","0.005","90","","4022.9","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(tBu(O)CN)Nb(N[t-Bu]Ar)3","","","- C41 H63 N4 Nb O -","- C41 H63 N4 Nb O -","- C164 H252 N16 Nb4 O4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101037","12.5745","0.0019","19.634","0.003","17.226","0.003","90","","109.859","0.002","90","","4000","1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","INb(N[Np]Ar)3","","","- C39 H60 I N3 Nb -","- C39 H60 I N3 Nb -","- C156 H240 I4 N12 Nb4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101038","10.704","0.0005","11.6133","0.0004","18.1727","0.0008","79.472","0.001","75.265","0.001","75.909","0.001","2101.35","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(OTf)Nb(N[Np]Ar)3","","","- C40 H60 F3 N3 Nb O3 S -","- C40 H60 F3 N3 Nb O3 S -","- C80 H120 F6 N6 Nb2 O6 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101039","48.779","0.003","5.923","0.0003","15.376","0.001","90","","106.077","0.003","90","","4268.7","0.4","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C200 H232 N8 O16 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056474l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101040","5.9391","0.0003","8.0487","0.0004","22.2075","0.0016","92.264","0.002","92.001","0.002","90.067","0.004","1060.08","0.11","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056474l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101041","11.2709","0.0007","13.6042","0.0008","34.653","0.002","90","","90","","90","","5313.4","0.6","130","2","133","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H80 B Cu Mo N9 O3 S -","- C45 H80 B Cu Mo N9 O3 S -","- C180 H320 B4 Cu4 Mo4 N36 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056500f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101042","8.62","0.01","10.52","0.01","14.17","0.02","74.53","0.06","71.8","0.06","87.47","0.06","1174","3","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14 Br2 F6 N2 -","- C27 H14 Br2 F6 N2 -","- C54 H28 Br4 F12 N4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056575j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101043","8.52","0.01","10.69","0.01","14","0.02","74.45","0.04","72.42","0.05","85.95","0.04","1171","2","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14 Br2 F6 N2 -","- C27 H14 Br2 F6 N2 -","- C54 H28 Br4 F12 N4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056575j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101044","7.1485","0.0005","10.4318","0.0007","13.3666","0.0009","70.5166","0.0012","89.5578","0.0012","72.002","0.0012","888.65","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","1,1'-bis(1,5-dimethyl-6-oxoverdazyl)ferrocene","","","- C18 H20 Fe N8 O2 -","- C18 H20 Fe N8 O2 -","- C36 H40 Fe2 N16 O4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0566331","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101045","6.8938","0.0008","9.8074","0.0009","13.1773","0.0019","90","","90","","90","","890.92","0.18","293","","293","","","","","","","","","6","P c m a","-P 2ac 2ac","55","","","","- C4 H2 Au2 N4 O Pb -","- C4 H2 Au2 N4 O Pb -","- C16 H8 Au8 N16 O4 Pb4 -","4","0.5","","Katz, Michael J.; Aguilar, Pedro M.; Batchelor, Raymond J.; Bokov, Alexei A.; Ye, Zuo-Guang; Kroeker, Scott; Leznoff, Daniel B.","Structure and Multinuclear MAS NMR of a Highly Birefringent Lead Gold Cyanide Coordination Polymer","Journal of the American Chemical Society","2006","","","","","10.1021/ja0566634","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101046","9.0355","0.0006","12.6226","0.0012","15.0883","0.0011","66.075","0.003","88.306","0.004","85.204","0.003","1567.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H49 N O2 Si4 W -","- C25 H49 N O2 Si4 W -","- C50 H98 N2 O4 Si8 W2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056715p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101047","15.6624","0.0007","9.2361","0.0003","24.696","0.0007","90","","100.937","0.0016","90","","3507.6","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C29 H54 N2 O2 Si4 W -","- C29 H52 N2 O2 Si4 W -","- C116 H208 N8 O8 Si16 W4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056715p","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101048","9.634","0.005","15.725","0.005","14.36","0.005","90","","93.621","0.005","90","","2171.1","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","LCCL02","","","- C26 H23 P S -","- C26 H23 P S -","- C104 H92 P4 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101049","9.907","0.005","10.282","0.005","12.655","0.005","90","","105.568","0.005","90","","1241.8","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","LCOF05","","","- C32 H27 P S -","- C32 H27 P S -","- C64 H54 P2 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101050","9.256","0.005","12.399","0.005","13.325","0.005","95.791","0.005","109.093","0.005","108.521","0.005","1334","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","LCOF07","","","- C34 H29 P S -","- C34 H29 P S -","- C68 H58 P2 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101051","10.377","0.005","17.347","0.005","13.471","0.005","90","","91.769","0.005","90","","2423.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCCL01","","","- C26.5 H24 Au Cl2 P -","- C26.5 H24 Au Cl2 P -","- C106 H96 Au4 Cl8 P4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101052","9.035","0.001","9.542","0.003","14.598","0.002","71.62","0.02","78.25","0.01","63.25","0.02","1063.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Au Cl P S2 -","- C21.1 H18 Au Cl P S2 -","- C42.2 H36 Au2 Cl2 P2 S4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0567182","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101053","17.5448","0.0003","17.5448","0.0003","15.1596","0.0004","90","","90","","90","","4666.43","0.17","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","","","","- C21 H28 N2 O7 -","- C21 H28 N2 O7 -","- C168 H224 N16 O56 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056762h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101054","22.008","0.0012","8.292","0.0005","22.383","0.0012","90","","93.089","0.001","90","","4078.7","0.4","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 N2 O4 -","- C52 H50 N2 O4 -","- C208 H200 N8 O16 -","4","0.5","","Ilhan, Faysal; Tyson, Daniel; Stasko, Daniel; Kirschbaum, Kristin; Meador, Micheal A.","Twisted, Z-Shaped Perylene Bisimide","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101055","9.5369","0.0008","9.6309","0.0008","18.0131","0.0016","90","","92.128","0.003","90","","1653.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 N2 O2 -","- C23 H14 N2 O2 -","- C92 H56 N8 O8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101056","15.321","0.004","12.9092","0.0018","16.115","0.003","90","","100.554","0.012","90","","3133.4","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 N -","- C23 H15 N -","- C184 H120 N8 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101057","6.771","0.0001","8.8023","0.0002","12.3546","0.0002","99.618","0.001","101.246","0.001","109.982","0.001","656.54","0.02","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cl Cu N2 O2 -","- C13 H13 Cl Cu N2 O2 -","- C26 H26 Cl2 Cu2 N4 O4 -","2","1","","Patrick Gamez","The Square-planar [CuII(pyrimol)Cl] complex acts as an efficient cytotoxic DNA","Journal of the American Chemical Society","2006","","","","","10.1021/ja056970+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101058","8.584","0.0017","8.759","0.0018","9.785","0.002","78.98","0.03","80.7","0.03","73.04","0.03","686.4","0.2","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C30 H36 O10 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056980a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101059","8.4349","0.0011","10.7308","0.0014","22.018","0.003","90","","99.379","0.002","90","","1966.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 Cl4 Cu2 N8 O2 -","- C35 H43 Cl4 Cu2 N8 O2 -","- C70 H86 Cl8 Cu4 N16 O4 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057122h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101060","8.362","0.006","10.55","0.008","22.438","0.016","90","","99.093","0.014","90","","1954","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Cl4 Cu2 N8 -","- C34 H40 Cl4 Cu2 N8 -","- C68 H80 Cl8 Cu4 N16 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057122h","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101061","8.3975","0.0018","10.861","0.002","21.89","0.005","90","","98.34","0.004","90","","1975.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Cl4 Cu2 I2 N8 -","- C34 H40 Cl4 Cu2 I2 N8 -","- C68 H80 Cl8 Cu4 I4 N16 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057122h","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101062","12.7522","0.0005","19.0869","0.0007","35.8127","0.0016","93.306","0.002","91.725","0.003","103.854","0.003","8440.5","0.6","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H134 Ge2 Si14 -","- C60 H134 Ge2 Si14 -","- C240 H536 Ge8 Si56 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057205y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101063","13.2422","0.0003","18.9459","0.0007","18.6788","0.0008","90","","110.506","0.0014","90","","4389.3","0.3","153","2","153","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C66 H144 Ge2 Si14 -","- C66 H144 Ge2 Si14 -","- C132 H288 Ge4 Si28 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057205y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101064","12.4319","0.0007","13.013","0.0008","14.7938","0.0011","85.759","0.005","84.425","0.003","91.478","0.003","2374.1","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","compound 11","","","- C78 H168 Ge2 Si14 -","- C78 H168 Ge2 Si14 -","- C78 H168 Ge2 Si14 -","1","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057205y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101065","8.4403","0.0015","18.274","0.002","9.4574","0.0013","90","","113.178","0.018","90","","1340.9","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H45 Li N2 O Si -","- C27 H45 Li N2 O Si -","- C54 H90 Li2 N4 O2 Si2 -","2","1","","Carsten Strohmann, Christian Daeschlein, Dominik Auer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057348k","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101066","11.094","0.002","14.299","0.003","18.751","0.007","90","","90","","90","","2974.5","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 Li N3 Si -","- C31 H46 Li N3 Si -","- C124 H184 Li4 N12 Si4 -","4","1","","Carsten Strohmann, Christian Daeschlein, Dominik Auer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057348k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101067","9.8887","0.0016","29.678","0.003","10.107","0.002","90","","111.35","0.02","90","","2762.6","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Li N3 O Si -","- C26 H44 Li N3 O Si -","- C104 H176 Li4 N12 O4 Si4 -","4","1","","Carsten Strohmann, Christian Daeschlein, Dominik Auer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057348k","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101068","12.6227","0.0001","17.5519","0.0002","22.3645","0.0003","112.352","0.001","101.418","0.001","93.336","0.001","4442.97","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H96 N4 O2 S24 -","- C74 H96 N4 O2 S24 -","- C148 H192 N8 O4 S48 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057367u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101069","10.1915","0.0002","10.947","0.0003","19.2157","0.0006","84.972","0.002","88.247","0.002","64.993","0.002","1935.33","0.09","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N4 S6 -","- C38 H48 N4 S6 -","- C76 H96 N8 S12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057367u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101070","23.1968","0.0007","23.1968","0.0007","38.961","0.002","90","","90","","90","","20964.4","1.5","163","2","163","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C50.5 H74.75 Cl0.75 N2.5 O4.75 -","- C50.5 H63 Cl0.75 N2.5 O4.75 -","- C808 H1008 Cl12 N40 O76 -","16","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057395c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101071","11.151","0.003","10.043","0.002","23.047","0.005","90","","102.57","0.002","90","","2519.4","1","93.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Mn4 N16 O12 -","- C44 H42 Mn4 N16 O12 -","- C88 H84 Mn8 N32 O24 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0574062","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101072","28.322","0.008","11.093","0.003","20.207","0.006","90","","111.754","0.003","90","","5897","3","118.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 Cl2 Mn4 N14 O18 -","- C46 H46 Cl2 Mn4 N14 O18 -","- C184 H184 Cl8 Mn16 N56 O72 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0574062","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101073","20.76","0.02","11.688","0.007","21.196","0.014","90","","107.884","0.009","90","","4895","7","93.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H47 Br2 Mn4 N10 O8.5 -","- C38 H30 Br2 Mn4 N10 O8.5 -","- C152 H120 Br8 Mn16 N40 O34 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0574062","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101074","14.53","0.003","16.999","0.003","18.44","0.003","90","","90","","90","","4554.4","1.3","93.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 Cl2 Mn4 N12 O14 -","- C40 H36 Cl2 Mn4 N12 O14 -","- C160 H144 Cl8 Mn16 N48 O56 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0574062","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101075","11.345","0.0005","12.3622","0.0009","20.0696","0.0014","76.264","0.003","88.1","0.004","84.895","0.004","2723.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H86 O3 Si8 -","- C41 H86 O3 Si8 -","- C82 H172 O6 Si16 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101076","24.5669","0.0005","20.9516","0.0006","21.697","0.0004","90","","106.851","0.001","90","","10688.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H86 O3 Si8 -","- C41 H86 O3 Si8 -","- C328 H688 O24 Si64 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4101077","13.5228","0.0007","32.6657","0.0015","12.9221","0.0004","90","","117.158","0.002","90","","5078.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H84 O3 Si8 -","- C40 H84 O3 Si8 -","- C160 H336 O12 Si32 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101078","14.0521","0.0014","20.7447","0.0014","21.518","0.002","90","","120.298","0.003","90","","5415.9","0.8","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H86 O3 Si8 -","- C41 H86 O3 Si8 -","- C164 H344 O12 Si32 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101079","10.7998","0.0005","16.5382","0.0005","19.1217","0.0008","101.985","0.002","91.09","0.002","107.392","0.003","3176.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H94 O2 Si6 -","- C63 H94 O2 Si6 -","- C126 H188 O4 Si12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057596g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101080","14.318","0.004","10.207","0.003","16.772","0.004","90","","102.725","0.005","90","","2391","1.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H34 N2 O3 S -","- C25 H34 N2 O3 S -","- C100 H136 N8 O12 S4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4101081","10.416","0.0002","14.1614","0.0002","15.02","0.0002","98.182","0.001","99.956","0.001","103.838","0.001","2079.38","0.06","120","1","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H45 Cl2 F6 Fe P3 -","- C45 H45 Cl2 F6 Fe P3 -","- C90 H90 Cl4 F12 Fe2 P6 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057665r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101082","13.5647","0.0002","15.8974","0.0003","27.956","0.0004","88.863","0.001","78.054","0.001","79.31","0.001","5794.53","0.16","120","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C140.5 H147 Fe3 O1.5 P6 -","- C139.75 H141 Fe3 O1.5 P6 -","- C279.5 H282 Fe6 O3 P12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057665r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101083","14.7336","0.0003","16.8011","0.0003","17.938","0.0003","86.81","0.001","67.92","0.001","82.818","0.001","4082.26","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H96 Fe2 P4 -","- C100 H96 Fe2 P4 -","- C200 H192 Fe4 P8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057665r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101084","11.1235","0.0003","11.9397","0.0003","20.8638","0.0006","98.742","0.002","95.508","0.002","98.512","0.002","2688.62","0.13","120","1","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62.25 H52.5 Cl0.5 Fe N4 P2 -","- C62.25 H52.5 Cl0.5 Fe N4 P2 -","- C124.5 H105 Cl Fe2 N8 P4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057665r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101085","10.7802","0.0004","17.277","0.0007","24.0417","0.0009","90","","95.523","0.001","90","","4457","0.3","159.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H76 Cl N2 P2 Rh -","- C45 H76 Cl N2 P2 Rh -","- C180 H304 Cl4 N8 P8 Rh4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0576684","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101086","12.9821","0.0011","16.2465","0.0019","21.136","0.003","75.414","0.004","87.661","0.005","88.146","0.005","4309.5","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H162 N0 Nb2 O6 P Si6 -","- C72 H162 Nb2 O6 P Si6 -","- C144 H324 Nb4 O12 P2 Si12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057747f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101087","9.536","0.001","10.71","0.002","17.567","0.002","90","","95.48","0.01","90","","1785.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101088","31.526","0.003","6.1185","0.0004","16.6372","0.0014","90","","104.54","0.01","90","","3106.4","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C160 H136 N16 O8 -","4","0.5","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101089","11.559","0.003","13.703","0.004","22","0.005","105.61","0.01","94.59","0.01","95.14","0.01","3322.9","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H65 Cl9 N4 O4 S2 -","- C69 H65 Cl9 N4 O4 S2 -","- C138 H130 Cl18 N8 O8 S4 -","2","1","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101090","24.26","0.007","6.624","0.002","16.348","0.005","90","","92.55","0.01","90","","2624.5","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O S4 -","- C29 H26 N2 O S4 -","- C116 H104 N8 O4 S16 -","4","1","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101091","9.827","0.001","12.841","0.003","14.572","0.003","105.15","0.01","107.81","0.01","105.96","0.01","1558.7","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H31 N3 O -","- C40 H31 N3 O -","- C80 H62 N6 O2 -","2","1","","Wang, Changsheng; Pålsson, Lars-Olof; Batsanov, Andrei S.; Bryce, Martin R.","Molecular wires comprising π-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural and optoelectronic properties.","Journal of the American Chemical Society","2006","","","","","10.1021/ja0577600","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101092","14.359","0.003","13.611","0.002","28.142","0.005","90","","101.815","0.003","90","","5383.6","1.7","141","2","141","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H64 N8 U -","- C66 H64 N8 U -","- C264 H256 N32 U4 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057808+","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101093","25.246","0.004","9.4223","0.0013","44.649","0.006","90","","93.279","0.003","90","","10604","3","141","2","141","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C113 H132 N8 U Yb2 -","- C113 N8 U Yb2 -","- C452 N32 U4 Yb8 -","4","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057808+","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101094","8.226","0.003","21.665","0.005","15.256","0.005","90","","99.48","0.08","90","","2681.7","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H40 F6 Fe P4 Si -","- C20 H40 F6 Fe P4 Si -","- C80 H160 F24 Fe4 P16 Si4 -","4","2","","Edwards, Peter G.; Newman, Paul D.","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0578956","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101095","20.252","0.004","8.595","0.002","31.418","0.006","90","","101.56","0.03","90","","5357.9","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H76 B2 F8 Fe2 P6 Si4 -","- C38 H76 B2 F8 Fe2 P6 Si4 -","- C152 H304 B8 F32 Fe8 P24 Si16 -","4","1","","Edwards, Peter G.; Newman, Paul D.","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0578956","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101096","10.2959","0.0004","14.3715","0.0005","28.599","0.001","90","","91.094","0.001","90","","4231","0.3","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","SIZ-7","","","- Al19.2 Co12.8 O128 P32 -","- Al19.2 Co12.8 O128 P32 -","- Al19.2 Co12.8 O128 P32 -","1","0.125","","Morris, Russell","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057933l","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101097","17.6481","0.0005","17.6481","0.0005","17.6481","0.0005","90","","90","","90","","5496.6","0.3","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H27 Fe N4 O12 -","- C27 H27 Fe N4 O12 -","- C216 H216 Fe8 N32 O96 -","8","0.666667","","Puerta, David T.","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057954f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101098","9.787","0.002","10.556","0.002","17.863","0.004","107.14","0.03","95","0.03","97.81","0.03","1731.3","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H56 In N3 -","- C37 H56 In N3 -","- C74 H112 In2 N6 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057967t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101099","9.6735","0.0019","10.597","0.002","17.818","0.004","107","0.03","95.17","0.03","97.82","0.03","1714.1","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H56 Ga N3 -","- C37 H56 Ga N3 -","- C74 H112 Ga2 N6 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101100","10.565","0.002","30.24","0.006","12.371","0.003","90","","109.05","0.03","90","","3735.9","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H63 N3 Tl -","- C40 H63 N3 Tl -","- C160 H252 N12 Tl4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057967t","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101101","7.8962","0.0015","12.311","0.002","30.247","0.006","90","","90","","90","","2940.2","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C13.3333 H21.3333 O2.66667 -","- C120 H192 O24 -","9","2.25","","Hayashi, Sayuri; Hirano, Koji; Yorimitsu, Hideki; Oshima, Koichiro","Palladium-Catalyzed Stereo- and Regiospecific Allylation of Aryl Halides with Homoallyl Alcohols via Retro-Allylation: Selective Generation and Use of σ-Allylpalladium","Journal of the American Chemical Society","2006","128","7","2210","2211","10.1021/ja058055u","","","","","","","","","","","","","","","","","","","","","has coordinates","133715","2020-10-21","18:00:00",""
"4101102","15.242","0.001","12.5285","0.0008","60.386","0.006","90","","96.158","0.007","90","","11464.6","1.6","130","1","130","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C132 H162 N8 Ni2 O8 -","- C132 H162 N8 Ni2 O8 -","- C528 H648 N32 Ni8 O32 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101103","12.8521","0.0002","13.4583","0.0002","13.5177","0.0002","90","","90","","90","","2338.12","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 F3 N O2 -","- C27 H26 F3 N O2 -","- C108 H104 F12 N4 O8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058287t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101104","7.4972","0.0001","7.9747","0.0001","18.6037","0.0007","90","","90","","90","","1112.28","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Cl N -","- C11 H16 Cl N -","- C44 H64 Cl4 N4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058287t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101105","20.9807","0.0001","11.3507","0.0001","25.4674","0.0002","90","","107.898","0.0003","90","","5771.44","0.07","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 Cl2 Cu2 F12 N4 P5 -","- C54 H51 Cl2 Cu2 F12 N4 P5 -","- C216 H204 Cl8 Cu8 F48 N16 P20 -","4","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101106","14.5703","0.0002","15.7547","0.0002","16.3777","0.0002","81.781","0.0005","72.9085","0.0006","86.5873","0.0007","3555.96","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H48 Cl11 Cu2 F12 N6 P4 -","- C62 H48 Cl10.98 Cu2 F12 N6 P4 -","- C124 H96 Cl21.96 Cu4 F24 N12 P8 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101107","11.8771","0.0003","16.2862","0.0005","18.4991","0.0006","99.8772","0.0013","103.361","0.0012","93.6767","0.0014","3409.72","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H49 Cl8 Cu2 F12 N4 P5 -","- C61 H49 Cl7.99 Cu2 F12 N4 P5 -","- C122 H98 Cl15.98 Cu4 F24 N8 P10 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101108","15.4965","0.0003","15.6184","0.0004","16.5106","0.0003","97.1936","0.001","99.6936","0.001","98.6028","0.0012","3848.06","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H56 Cl12 Cu2 F12 N6 P4 -","- C70 H56 Cl12 Cu2 F12 N6 P4 -","- C140 H112 Cl24 Cu4 F24 N12 P8 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101109","11.5631","0.0001","13.1884","0.0001","22.3554","0.0002","84.9123","0.0004","80.6613","0.0004","76.2856","0.0004","3263.59","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H51 Cl4 Cu2 F12 N4 P5 -","- C67 H51 Cl4 Cu2 F12 N4 P5 -","- C134 H102 Cl8 Cu4 F24 N8 P10 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101110","12.9509","0.0005","16.0253","0.0008","17.0867","0.0009","84.578","0.002","86.377","0.002","77.343","0.002","3441.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C134 H116 Cl12 Cu4 F24 N12 P8 -","- C134 H116 Cl12 Cu4 F24 N12 P8 -","- C134 H116 Cl12 Cu4 F24 N12 P8 -","1","0.5","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101111","21.0805","0.0008","24.3424","0.001","28.0284","0.0012","90","","106.742","0.0023","90","","13773.1","1","120","2","120","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C135 H112 Cl10 Cu4 F24 N8 P10 -","- C135 H112 Cl10 Cu4 F24 N8 P10 -","- C540 H448 Cl40 Cu16 F96 N32 P40 -","4","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","287954","2023-12-03","21:24:06",""
"4101112","13.525","0.011","19.33","0.02","20.169","0.016","104.45","0.03","107.66","0.02","103.88","0.03","4571","7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C77.5 H64 Cl13 Cu2 F12 N6 P4 -","- C77.516 H64.036 Cl13.25 Cu2 F12 N6 P4 -","- C155.032 H128.072 Cl26.5 Cu4 F24 N12 P8 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101113","4.7529","0.0003","10.5673","0.0006","11.9098","0.0006","90","","97.908","0.001","90","","592.48","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 N -","- C8 H5 N -","- C32 H20 N4 -","4","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101114","9.9254","0.0012","12.4074","0.0015","17.8883","0.002","98.6909","0.0064","100.221","0.0064","91.7264","0.0067","2139.4","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H40 N5 -","- C60 H40 N5 -","- C120 H80 N10 -","2","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101115","10.961","0.004","15.643","0.006","25.006","0.01","99.056","0.006","95.239","0.008","95.683","0.007","4188","3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H17 F39 O2 Sn -","- C31 H17 F39 O2 Sn -","- C124 H68 F156 O8 Sn4 -","4","2","","","A New Strategy for Preparing Molecular Imaging and Therapy Agents Using Fluorine Rich (Fluorous) Soluble Supports","Journal of the American Chemical Society","2006","","","","","10.1021/ja0600375","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101116","28.2132","0.0016","28.2132","0.0016","28.2132","0.0016","90","","90","","90","","22457","2","293","2","293","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C96 H72 Cl1.5 N27 O33 Pd3 -","- C96 H72 Cl1.5 N26.976 O21 Pd3 -","- C384 H288 Cl6 N107.904 O84 Pd12 -","4","0.0833333","","Moon, Dohyun; Kang, Sangmi; Park, Jaejoon; Lee, Kyungjai; John, Rohith P.; Won, Hosik; Seong, Ki Hoon; Kim, Yang Sun; Kim, Ghyung Hwa; Rhee, Hakjune; Lah, Myoung Soo","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060051h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101117","39.1795","0.0019","39.9607","0.0015","39.9519","0.0018","60.638","0.002","60.667","0.001","60.635","0.001","44876","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C216 H192 N48 O24 Pd6 -","- C216 H192 N48 O24 Pd6 -","- C864 H768 N192 O96 Pd24 -","4","2","","Moon, Dohyun; Kang, Sangmi; Park, Jaejoon; Lee, Kyungjai; John, Rohith P.; Won, Hosik; Seong, Ki Hoon; Kim, Yang Sun; Kim, Ghyung Hwa; Rhee, Hakjune; Lah, Myoung Soo","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060051h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101118","7.133","0.003","14.737","0.006","7.681","0.003","90","","90","","90","","807.4","0.6","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Yb4MgGe4","","","- Ge4 Mg0.96 Yb4.04 -","- Ge4 Mg0.956 Yb4.044 -","- Ge16 Mg3.824 Yb16.176 -","4","0.5","","Tobash, Paul H.; Bobev, Svilen","Structure and Bonding in Yb4MgGe4: Yb2+/Yb3+ Mixed-Valency and Charge-Ordering","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601383","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101119","7.101","0.003","14.649","0.006","7.64","0.003","90","","90","","90","","794.6","0.5","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Mg1.24 Yb3.76 -","- Ge4 Mg1.24 Yb3.76 -","- Ge16 Mg4.96 Yb15.04 -","4","0.5","","Tobash, Paul H.; Bobev, Svilen","Structure and Bonding in Yb4MgGe4: Yb2+/Yb3+ Mixed-Valency and Charge-Ordering","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601383","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101120","7.0599","0.0011","14.565","0.002","7.6248","0.0012","90","","90","","90","","784.1","0.2","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge4 Mg1.55 Yb3.45 -","- Ge4 Mg1.558 Yb3.442 -","- Ge16 Mg6.232 Yb13.768 -","4","0.5","","Tobash, Paul H.; Bobev, Svilen","Structure and Bonding in Yb4MgGe4: Yb2+/Yb3+ Mixed-Valency and Charge-Ordering","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601383","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101121","10.2841","0.0007","17.8887","0.0013","14.9131","0.0011","90","","94.67","0.001","90","","2734.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H47 Fe N2 O S3 -","- C20 H47 Fe N2 O S3 -","- C80 H188 Fe4 N8 O4 S12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060186n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101122","11.8365","0.001","12.5824","0.0011","5.7587","0.0005","90","","110.07","0.001","90","","805.57","0.12","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H18 Fe2 N4 O4 S2 -","- C8 H18 Fe2 N4 O4 S2 -","- C16 H36 Fe4 N8 O8 S4 -","2","0.25","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060186n","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101123","10.0583","0.0003","5.8983","0.0002","15.2143","0.0004","90","","90","","90","","902.62","0.05","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H4 O4 -","- C12 H4 O4 -","- C48 H16 O16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0602647","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101124","12.4261","0.0003","13.0149","0.0003","17.3641","0.0006","73.4934","0.001","74.3341","0.0012","63.548","0.002","2376.69","0.11","103","2","103","2","","","","","","","","4","P -1","-P 1","2","2-stannanaphthalene","","","- C40 H74 Si6 Sn -","- C40 H74 Si6 Sn -","- C80 H148 Si12 Sn2 -","2","1","","Yoshiyuki Mizuhata; Takahiro Sasamori; Nobuhiro Takeda; Norihiro Tokitoh","A Stable Neutral Stannaaromatic Compound: Synthesis, Structure and Complexation of a Kinetically Stabilized 2-Stannanaphthalene","Journal of the American Chemical Society","2006","","","","","10.1021/ja057531d","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101125","9.5178","0.0004","13.128","0.0007","22.1764","0.0008","79.6768","0.0018","82.5522","0.0015","82.2722","0.0018","2685.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","2-stannanaphthalene_Cr_complex","","","- C43 H74 Cr O3 Si6 Sn -","- C43 H74 Cr O3 Si6 Sn -","- C86 H148 Cr2 O6 Si12 Sn2 -","2","1","","Yoshiyuki Mizuhata; Takahiro Sasamori; Nobuhiro Takeda; Norihiro Tokitoh","A Stable Neutral Stannaaromatic Compound: Synthesis, Structure and Complexation of a Kinetically Stabilized 2-Stannanaphthalene","Journal of the American Chemical Society","2006","","","","","10.1021/ja057531d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101126","10.024","0.002","12.426","0.003","33.403","0.007","90","","90","","90","","4160.7","1.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O4 -","- C23 H24 Br N O4 -","- C184 H192 Br8 N8 O32 -","8","2","","Cara L. Nygren; Philip Coppens","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057768+","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101127","9.047","0.0005","21.1758","0.0006","13.6531","0.0009","90","","90","","90","","2615.6","0.2","173.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0561082","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101128","13.5842","0.0007","11.6824","0.0006","7.5787","0.0003","90","","94.8997","0.0014","90","","1198.31","0.1","173.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0561082","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101129","7.1779","0.0004","8.0341","0.0001","11.3321","0.0004","107.491","0.0011","90.231","0.005","94.366","0.006","621.23","0.04","173.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C26 H32 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0561082","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101130","10.0055","0.0001","27.7679","0.0006","24.2432","0.0006","90","","97.678","0.001","90","","6675.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H85 B2 N5 U -","- C78 H85 B2 N5 U -","- C312 H340 B8 N20 U4 -","4","1","","Maynadié, J.; Berthet, J. C.; Thuéry, P.; Ephritikhine, M.","An Unprecedented Type of Linear Metallocene with an f-Element","Journal of the American Chemical Society","2006","128","4","1082","1083","10.1021/ja057226s","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101131","21.0005","0.0005","19.4352","0.0005","22.9247","0.0003","90","","116.103","0.001","90","","8402.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H52.5 I2 N7.5 U -","- C35 H52.5 I2 N7.5 U -","- C280 H420 I16 N60 U8 -","8","1","","Maynadié, J.; Berthet, J. C.; Thuéry, P.; Ephritikhine, M.","An Unprecedented Type of Linear Metallocene with an f-Element","Journal of the American Chemical Society","2006","128","4","1082","1083","10.1021/ja057226s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101132","3.73","0.003","12.589","0.008","16.7","0.01","90","","94.6","0.02","90","","781.6","1","293.1","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H8 N5 S2 -","- C18 H8 N5 S2 -","- C36 H16 N10 S4 -","2","0.5","","Yoshikatsu Umezono; Wataru Fujita; Kunio Awaga","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057207i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101133","7.212","0.004","13.392","0.008","14.121","0.009","115.484","0.007","101.65","0.007","90.923","0.006","1197.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H8 Co N6 S8 -","- C20 H8 Co N6 S8 -","- C40 H16 Co2 N12 S16 -","2","1","","Yoshikatsu Umezono; Wataru Fujita; Kunio Awaga","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057207i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101134","7.0174","0.0017","7.2752","0.0018","12.901","0.004","78.989","0.009","79.253","0.009","70.956","0.008","605.6","0.3","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H8 Co N6 S8 -","- C20 H8 Co N6 S8 -","- C20 H8 Co N6 S8 -","1","0.5","","Yoshikatsu Umezono; Wataru Fujita; Kunio Awaga","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057207i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101135","5.572","0.0004","15.1926","0.001","23.0749","0.0015","90","","93.661","0.001","90","","1949.4","0.2","173","","446","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O3 -","- C26 H22 O3 -","- C104 H88 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054144v","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101136","10.769","0.0003","12.4573","0.0005","13.6139","0.0005","92.427","0.002","95.63","0.002","110.941","0.002","1691.58","0.1","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Al Br N2 O2 -","- C36 H46 Al Br N2 O2 -","- C72 H92 Al2 Br2 N4 O4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101137","19.338","0.0004","15.3855","0.0003","23.7586","0.0006","90","","103.843","0.0009","90","","6863.4","0.3","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75.5 H79 Al Br N2 O10 P2 -","- C75.5 H79 Al Br N2 O10 P2 -","- C302 H316 Al4 Br4 N8 O40 P8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101138","18.9792","0.0004","9.7445","0.0002","35.3217","0.0007","90","","90","","90","","6532.5","0.2","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32.25 H46 Al Br Cl0.5 N2 O2 -","- C32.25 H46 Al Br Cl0.5 N2 O2 -","- C258 H368 Al8 Br8 Cl4 N16 O16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101139","14.418","0.0002","14.8094","0.0002","17.2404","0.0003","76.0377","0.0006","69.8258","0.0006","85.9439","0.0006","3352.95","0.09","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.5 H49 Al Br Cl N2 O2 -","- C33.5 H49 Al Br Cl N2 O2 -","- C134 H196 Al4 Br4 Cl4 N8 O8 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101140","22.3928","0.0002","22.5503","0.0002","25.8204","0.0003","90","","90","","90","","13038.4","0.2","90","0.2","90","0.2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C76 H86 Al Br N2 O4 P2 -","- C76 H86 Al Br N2 O4 P2 -","- C608 H688 Al8 Br8 N16 O32 P16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101141","22.612","0.0003","22.858","0.0003","26.785","0.0004","90","","90","","90","","13844.2","0.3","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76.99 H81.7 Al Br N2 O4 P2 -","- C77.215 H81.96 Al Br N2 O4 P2 -","- C617.72 H655.68 Al8 Br8 N16 O32 P16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101142","16.117","0.002","13.657","0.002","25.154","0.003","90","","98.734","0.006","90","","5472.2","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Parquette 1316","","","- C60 H46 Cl3 N13 O6 -","- C60 H46 Cl3 N13 O6 -","- C240 H184 Cl12 N52 O24 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0547228","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101145","10.1148","0.0002","8.9482","0.0002","14.6993","0.0003","90","","99.35","0.001","90","","1312.75","0.05","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 B N O4 S -","- C11 H16 B N O4 S -","- C44 H64 B4 N4 O16 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101146","18.258","0.0004","9.55","0.0003","18.426","0.0007","90","","117.171","0.0011","90","","2858.28","0.15","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 B N O2 -","- C8.5 H9 B0.5 N0.5 O -","- C68 H72 B4 N4 O8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101147","18.258","0.0004","9.55","0.0003","18.426","0.0007","90","","117.171","0.0011","90","","2858.28","0.15","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 B N O2 -","- C8.5 H9 B0.5 N0.5 O -","- C68 H72 B4 N4 O8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101148","9.5572","0.0002","51.067","0.002","10.1724","0.0002","90","","100.822","0.001","90","","4876.4","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H66 B3 N3 O9 -","- C54 H66 B3 N3 O9 -","- C216 H264 B12 N12 O36 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101149","10.0661","0.0002","16.1843","0.0003","9.0642","0.0002","90","","95.744","0.001","90","","1469.26","0.05","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 B N O2 -","- C16 H20 B N O2 -","- C64 H80 B4 N4 O8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101150","33.596","0.002","8.7123","0.0005","14.2628","0.0012","90","","107.395","0.002","90","","3983.8","0.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 B N O4.5 -","- C21 H25 B N O4.5 -","- C168 H200 B8 N8 O36 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101152","29.184","0.003","29.184","0.003","29.184","0.003","90","","90","","90","","24856","4","258","2","258","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","IRMOF-20","","","- C24 H6 O13 S6 Zn4 -","- C24 H6 O13 S6 Zn4 -","- C192 H48 O104 S48 Zn32 -","8","0.0416667","","Jesse L. C. Rowsell; Omar M. Yaghi","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056639q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101153","7.5561","0.0008","17.312","0.002","8.2565","0.0009","90","","96.014","0.009","90","","1074.1","0.2","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 S2.75 -","- C28 H16 S2.752 -","- C56 H32 S5.504 -","2","0.5","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101154","41.284","0.008","6.462","0.002","21.078","0.005","90","","98.616","0.018","90","","5560","2","293","","293","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C41 H27 -","- C41 H27 -","- C328 H216 -","8","1","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101155","27.8621","0.0015","8.0786","0.0004","16.0279","0.0009","90","","116.755","0.005","90","","3221.4","0.3","293","","293","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 -","- C46 H30 -","- C184 H120 -","4","0.5","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","Organization of Acenes with a Cruciform Assembly Motif","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101156","15.5345","0.0008","15.5352","0.0009","19.5287","0.0008","90.021","0.004","90.022","0.004","90","","4712.9","0.4","293","","293","","","","","","","","","2","P 41","P 4w","76","","","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","2","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","Organization of Acenes with a Cruciform Assembly Motif","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101157","6.1995","0.0007","11.0201","0.0013","14.7","0.0015","95.66","0.009","96.6","0.009","104.52","0.01","957.25","0.19","293","","293","","","","","","","","","2","P -1","-P 1","2","","","","- C58 H38 -","- C58 H38 -","- C58 H38 -","1","0.5","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101158","6.435","0.002","12.833","0.005","25.451","0.009","90","","96.176","0.009","90","","2089.7","1.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O2 S -","- C22 H30 N2 O2 S -","- C88 H120 N8 O8 S4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101159","7.8223","0.0002","12.1238","0.0004","13.68","0.0005","79.9835","0.0013","85.0292","0.0012","84.0344","0.0018","1267.55","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","(tBuPCP)PdOOH","","","- C24 H44 O2 P2 Pd -","- C24 H44 O2 P2 Pd -","- C48 H88 O4 P4 Pd2 -","2","1","","Melanie C. Denney; Antonio G. DiPasquale; Karen I. Goldberg","Direct Observation of Insertion of Molecular Oxygen into a Palladium(II) Hydride Bond","Journal of the American Chemical Society","2006","","","","","10.1021/ja0562292","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101160","17.548","0.004","6.819","0.0014","18.261","0.004","90","","115.4","0.03","90","","1973.8","0.7","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl8 Ir2 K2 N6 O2 S2 -","- C22 H26 Cl8 Ir2 K2 N6 O2 S2 -","- C44 H52 Cl16 Ir4 K4 N12 O4 S4 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0565976","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101161","12.242","0.0002","9.6351","0.0002","15.1197","0.0002","90","","104.127","0.0007","90","","1729.48","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H27 N3 O5 Os -","- C13 H27 N3 O5 Os -","- C52 H108 N12 O20 Os4 -","4","1","","Donohoe, Timothy J.; Chughtai, Majid J.; Klauber, David J.; Griffin, David; Campbell, Andrew D.","N-Sulfonyloxy Carbamates as Reoxidants for the Tethered Aminohydroxylation Reaction","Journal of the American Chemical Society","2006","128","8","2514","2515","10.1021/ja057389g","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4101162","26.583","0.0006","6.453","0.0002","14.3538","0.0003","90","","100.736","0.0011","90","","2419.15","0.11","230","","230","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C104 H120 N8 O32 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057389g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101163","9.7755","0.0002","16.823","0.0004","10.3983","0.0002","90","","104.89","0.001","90","","1652.6","","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H27 N3 O5 Os -","- C13 H27 N3 O5 Os -","- C52 H108 N12 O20 Os4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057389g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101164","12.797","0.003","21.064","0.004","20.183","0.005","90","","91.6","0.01","90","","5439","2","123.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H70 F6 N O4 P -","- C64 H70 F6 N O4 P -","- C256 H280 F24 N4 O16 P4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058066n","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101165","12.717","0.002","12.918","0.003","31.47","0.006","90","","90","","90","","5170.1","1.8","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C59 H48 Cl6 I N -","- C59 H48 Cl6 I N -","- C236 H192 Cl24 I4 N4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058066n","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101166","9.8937","0.0013","10.0629","0.0014","13.0908","0.0018","90","","90","","90","","1303.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br O3 -","- C14 H11 Br O3 -","- C56 H44 Br4 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058337u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101167","6.3868","0.0001","11.2128","0.0002","13.866","0.0002","90","","90","","90","","993","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058337u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101168","6.106","0.004","13.973","0.006","16.979","0.008","81.21","0.02","87.89","0.02","76.99","0.02","1394","1","123.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C22 H20 Cl O P -","- C22 H20 Cl O P -","- C66 H60 Cl3 O3 P3 -","3","3","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058763f","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101169","11.825","0.003","11.717","0.003","21.291","0.007","90","","100.88","0.01","90","","2896","1","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H52 O3 P3 Rh -","- C74 H68 O3 P3 Rh -","- C148 H136 O6 P6 Rh2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058763f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101170","9.905","0.002","11.443","0.002","18.969","0.004","90","","90","","90","","2150","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O5 S -","- C22 H25 N O5 S -","- C88 H100 N4 O20 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101171","11.436","0.002","11.652","0.002","19.448","0.004","90","","90","","90","","2591.5","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 S -","- C25 H31 N O5 S -","- C100 H124 N4 O20 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101172","8.2347","0.0016","15.6","0.003","9.5307","0.0019","90","","96.28","0.03","90","","1216.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N O5 S -","- C24 H33 N O5 S -","- C48 H66 N2 O10 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101173","8.0643","0.0012","9.0916","0.0013","16.245","0.002","74.529","0.002","85.901","0.002","66.559","0.002","1052.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 N O7 S -","- C20 H25 N O7 S -","- C40 H50 N2 O14 S2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101174","8.264","0.0017","14.793","0.003","15.532","0.003","90","","90","","90","","1898.8","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O6 S -","- C18 H22 N2 O6 S -","- C72 H88 N8 O24 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101175","6.5673","0.0013","10.51","0.002","57.502","0.012","90","","90","","90","","3968.9","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O6 S -","- C16 H26 N2 O6 S -","- C128 H208 N16 O48 S8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101176","12.41","0","15.272","0.001","10.445","0.001","90","","90","","90","","1980.3","0","273.1","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C13 H27 Cu F3 N3 O3 S -","- C13 H27 Cu F3 N3 O3 S -","- C52 H108 Cu4 F12 N12 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056740v","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101177","29.9887","0.0015","11.6969","0.0006","18.9215","0.001","90","","104.968","0.001","90","","6412","0.6","184","","184","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 B2 Cu2 F8 N4 O2 -","- C20 H50 B2 Cu2 F8 N4 O2 -","- C160 H400 B16 Cu16 F64 N32 O16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056740v","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101178","11.0148","0.0005","14.1617","0.0006","17.5859","0.0008","90","","94.594","0.001","90","","2734.4","0.2","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 Pt -","- C32 H34 N2 Pt -","- C128 H136 N8 Pt4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101179","17.091","0.002","16.383","0.0019","22.603","0.003","90","","90","","90","","6328.8","1.3","105","","105","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H36 Cl2 N2 Pt -","- C33 H36 Cl2 N2 Pt -","- C264 H288 Cl16 N16 Pt8 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101180","18.344","0.007","45.211","0.011","14.761","0.007","90","","90","","90","","12242","8","105","","105","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C29 H32 F3 N3 O3 Pt S -","- C29 H32 F3 N3 O3 Pt S -","- C464 H512 F48 N48 O48 Pt16 S16 -","16","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101181","12.6024","0.0015","22.658","0.003","12.0934","0.0014","90","","110.947","0.002","90","","3225","0.7","105","","105","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 F3 N3 O3 Pt S -","- C31 H36 F3 N3 O3 Pt S -","- C124 H144 F12 N12 O12 Pt4 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101182","16.463","0.003","21.11","0.002","18.285","0.004","90","","94.98","0.018","90","","6330.7","2","105","","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H78 Cl2 N4 Pt2 -","- C69 H78 Cl2 N4 Pt2 -","- C276 H312 Cl8 N16 Pt8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101183","12.7851","0.0011","12.9026","0.001","19.7686","0.0017","90","","90","","90","","3261","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 O5 P -","- C38 H41 O5 P -","- C152 H164 O20 P4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056018x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101184","12.9631","0.0015","14.1557","0.0016","19.252","0.002","90","","90","","90","","3532.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl N O3 -","- C19 H20 Cl N O3 -","- C152 H160 Cl8 N8 O24 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056018x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101185","10.4359","0.001","26.531","0.003","12.5068","0.0012","90","","107.108","0.002","90","","3309.7","0.6","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 Cl N6 O12 S2 Zn -","- C26 H35 Cl N6 O12 S2 Zn -","- C104 H140 Cl4 N24 O48 S8 Zn4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056631g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101186","12.221","0.001","12.833","0.002","15.86","0.003","81.03","0.01","83.57","0.02","62.24","0.01","2172","0.6","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Cl2 Cu2 N8 O10 -","- C40 H42 Cl2 Cu2 N8 O10 -","- C80 H84 Cl4 Cu4 N16 O20 -","2","1","","Takahiro Matsumoto; Masashi Kobino; Masato Tomii; Hideki Hayashi; Furutachi, Hideki; Shigenori Nagatomo; Takehiko Tosha; Takao Osako; Fujinami, Shuhei; Shinobu Itoh; Teizo Kitagawa; Suzuki, Masatastu","Arene Hydroxylation versus Styrene Epoxidation by (m-h2:h2)perpxodicopper(II) Complexes Supported by Dinucleating Ligands","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101187","35.04","0.006","39.364","0.005","11.877","0.002","90","","90","","90","","16382","4","123.2","","","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C37 H43 Cu2 F12 N6 O2.5 P2 -","- C37 H39 Cu2 F12 N6 O2.5 P2 -","- C592 H624 Cu32 F192 N96 O40 P32 -","16","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101188","32.968","0.0013","32.968","0.0013","80.783","0.005","90","","90","","120","","76039","6","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","PCN-6","","","- C48 H30 Cu3 N6 O15 -","- C48 H24 Cu3 N6 O15 -","- C1152 H576 Cu72 N144 O360 -","24","0.666667","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058777l","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101189","13.135","0.003","17.211","0.003","20.129","0.004","90","","90","","90","","4550.6","1.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Cl N O4 -","- C27 H26 Cl N O4 -","- C216 H208 Cl8 N8 O32 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0602997","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101190","9.6131","0.0019","10.559","0.002","11.683","0.002","104.27","0.03","97.57","0.03","97.47","0.03","1122.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C54 H54 N2 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101191","17.7336","0.0007","9.2878","0.0004","17.2333","0.0007","90","","98.468","0.001","90","","2807.5","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H39 O15 Rh S2 -","- C18 H39 O15 Rh S2 -","- C72 H156 O60 Rh4 S8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057347s","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101192","11.427","0.016","14.797","0.015","14.995","0.013","90","","90","0.13","90","","2535","5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl O22 Rh3 -","- C12 H28 Cl O22 Rh3 -","- C48 H112 Cl4 O88 Rh12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057347s","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101193","6.3692","0.0015","11.781","0.003","23.498","0.005","90","","90","","90","","1763.1","0.7","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl2 N O3 -","- C17 H17 Cl2 N O3 -","- C68 H68 Cl8 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060312n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101194","10.334","0.003","6.0435","0.0017","10.356","0.003","90","","115.723","0.005","90","","582.7","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 Cl N2 O -","- C13 H9 Cl N2 O -","- C26 H18 Cl2 N4 O2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060312n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101195","19.6744","0.0003","6.3916","0.0001","20.4343","0.0004","90","","107.57","0.001","90","","2449.75","0.07","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 N2 P -","- C26 H37 N2 P -","- C104 H148 N8 P4 -","4","1","","Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter","P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides","Journal of the American Chemical Society","2006","","","","","10.1021/ja057827j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101196","12.964","0.0004","17.3985","0.0006","7.3944","0.0002","90","","90","","90","","1667.84","0.09","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Cl3 Ge N2 P -","- C10 H20 Cl3 Ge N2 P -","- C40 H80 Cl12 Ge4 N8 P4 -","4","0.5","","Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter","P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides","Journal of the American Chemical Society","2006","","","","","10.1021/ja057827j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101197","12.7132","0.0003","17.4583","0.0005","7.7723","0.0002","90","","90","","90","","1725.07","0.08","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Cl3 N2 P Sn -","- C10 H20 Cl3 N2 P Sn -","- C40 H80 Cl12 N8 P4 Sn4 -","4","0.5","","Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter","P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides","Journal of the American Chemical Society","2006","","","","","10.1021/ja057827j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101198","11.5033","0.0012","33.861","0.004","11.8212","0.0013","90","","111.056","0.002","90","","4297.1","0.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H61 B Cl2 F4 N2 Os P2 -","- C38 H61 B Cl2 F4 N2 Os P2 -","- C152 H244 B4 Cl8 F16 N8 Os4 P8 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Oñate, E.","Assembly of an Allenylidene Ligand, a Terminal Alkyne, and an Acetonitrile Molecule: Formation of Osmacyclopentapyrrole Derivatives","Journal of the American Chemical Society","2006","","","","","10.1021/ja058355b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101199","10.8367","0.0016","14.352","0.002","14.489","0.002","84.14","0.002","83.248","0.003","81.579","0.002","2205.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H65 B F4 N2 Os P2 -","- C45 H65 B F4 N2 Os P2 -","- C90 H130 B2 F8 N4 Os2 P4 -","2","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Oñate, E.","Assembly of an Allenylidene Ligand, a Terminal Alkyne, and an Acetonitrile Molecule: Formation of Osmacyclopentapyrrole Derivatives","Journal of the American Chemical Society","2006","","","","","10.1021/ja058355b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101200","11.3003","0.0014","10.9934","0.0013","38.071","0.005","90","","94.455","0.002","90","","4715.3","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H68 B F4 N3 Os P2 -","- C47 H68 B F4 N3 Os P2 -","- C188 H272 B4 F16 N12 Os4 P8 -","4","1","","Bolaño, T.; Castarlenas, R.; Esteruelas, M. A.; Oñate, E.","Assembly of an Allenylidene Ligand, a Terminal Alkyne, and an Acetonitrile Molecule: Formation of Osmacyclopentapyrrole Derivatives","Journal of the American Chemical Society","2006","","","","","10.1021/ja058355b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101201","17.5521","0.0009","12.609","0.0006","11.3366","0.0005","90","","93.004","0.001","90","","2505.5","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Cl4 Ir N2 -","- C22 H29 Cl4 Ir N2 -","- C88 H116 Cl16 Ir4 N8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058253l","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101202","8.9105","0.0005","14.2032","0.0007","16.0373","0.0008","90","","90","","90","","2029.64","0.18","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 I Ir N2 -","- C21 H26 I Ir N2 -","- C84 H104 I4 Ir4 N8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058253l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101203","24.918","0.006","10.095","0.004","18.647","0.005","90","","133.96","0.02","90","","3376.4","1.8","299","2","299","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H56 N2 O4 S Si -","- C31 H56 N2 O4 S Si -","- C124 H224 N8 O16 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101204","11.0305","0.0004","13.8404","0.0006","32.098","0.002","90","","90","","90","","4900.29","","","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H67 N3 O7 S Si -","- C48 H67 N3 O7 S Si -","- C192 H268 N12 O28 S4 Si4 -","4","1","","B.Junker; M.Reggelin; D.Schollmeyer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101205","17.42","0.004","20.435","0.003","17.513","0.004","90","","101.58","0.01","90","","6107","2","194","2","194","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H50 N2 O3 S Si -","- C28 H50 N2 O3 S Si -","- C224 H400 N16 O24 S8 Si8 -","8","4","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101206","7.38","0.002","14.304","0.003","16.996","0.008","90","","93.16","0.03","90","","1791.4","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H50 N2 O3 S Si -","- C34 H50 N2 O3 S Si -","- C68 H100 N4 O6 S2 Si2 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101207","11.286","0.001","11.286","0.001","27.256","0.002","90","","90","","90","","3471.7","0.5","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C34 H50 N2 O3 S Si -","- C34 H50 N2 O3 S Si -","- C136 H200 N8 O12 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101208","6.0661","0.0006","14.1382","0.0016","10.9152","0.0015","90","","92.357","0.007","90","","935.34","0.19","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O3 -","- C20 H29 N O3 -","- C40 H58 N2 O6 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101209","16.803","0.004","16.803","0.004","5.941","0.001","90","","90","","120","","1452.7","0.5","303","2","303","2","","","","","","","","4","P 31","P 31","144","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C54 H99 N3 O12 -","3","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101210","10.29","0.002","10.29","0.002","32.797","0.004","90","","90","","120","","3007.4","0.9","293","2","293","2","","","","","","","","4","P 61","P 61","169","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C108 H198 N6 O24 -","6","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101211","10.316","0.001","10.316","0.001","32.838","0.006","90","","90","","120","","3026.4","0.7","299","2","299","2","","","","","","","","4","P 65","P 65","170","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C108 H198 N6 O24 -","6","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101212","6.1354","0.0009","14.4848","0.0017","9.895","0.002","90","","92.369","0.008","90","","878.618","","","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C38 H54 N2 O6 -","2","1","","J.W.Bats; T.Heinrich; M.Reggelin","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101213","14.215","0.003","23.235","0.005","22.908","0.005","90","","101.95","0.009","90","","7402","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H52 Cl N2 Pd -","- C39 H52 Cl N2 Pd -","- C312 H416 Cl8 N16 Pd8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057704z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101214","21.2965","0.001","14.2551","0.0006","22.542","0.001","90","","98.584","0.001","90","","6766.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H47 Cl N2 O0.25 Pd -","- C33 H47 Cl N2 O0.25 Pd -","- C264 H376 Cl8 N16 O2 Pd8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057704z","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101215","13.2878","0.0005","14.6364","0.0005","34.7981","0.0012","90","","90","","90","","6767.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 Cl N2 Pd -","- C36 H47 Cl N2 Pd -","- C288 H376 Cl8 N16 Pd8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057704z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101216","10.1232","0.0008","17.8619","0.0014","16.4421","0.0013","90","","90.287","0.001","90","","2973","0.4","396","2","396","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Pd(IPr)(MeCH2CHCH2)Cl]","","","- C31 H44 Cl N2 Pd -","- C31 H44 Cl N2 Pd -","- C124 H176 Cl4 N8 Pd4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057704z","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101217","14.196","0.004","25.572","0.007","21.63","0.006","90","","97.731","0.005","90","","7780","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H108 Ge9 K3 N6 Ni O19 -","- C55 H108 Ge9 K3 N6 Ni O19 -","- C220 H432 Ge36 K12 N24 Ni4 O76 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058652g","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101218","11.9064","0.0015","11.9064","0.0015","25.724","0.007","90","","90","","120","","3158.1","1","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C44 H80 Ge9 K2 N4 Ni2 O13 -","- C43.99 H81.96 Ge9 K2 N4 Ni2 O13 -","- C87.98 H163.92 Ge18 K4 N8 Ni4 O26 -","2","0.166667","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058652g","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101219","14.6754","0.0008","15.2504","0.0008","21.3415","0.0012","82.578","0.003","87.789","0.004","69.499","0.003","4436.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H121 Ge9 K3 N8 Ni2 O18 -","- C64 H115 Ge9 K3 N8 Ni2 O18 -","- C128 H230 Ge18 K6 N16 Ni4 O36 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058652g","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101220","17.254","0.003","23.182","0.004","21.302","0.004","90","","96.909","0.004","90","","8458","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H124 Ge9 K3 N10 Ni1.74 O18 -","- C58 H124.03 Ge9 K3 N10 Ni1.735 O18 -","- C232 H496.12 Ge36 K12 N40 Ni6.94 O72 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058652g","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101221","18.3869","0.0006","12.6293","0.0004","17.7726","0.0006","90","","103.199","0.001","90","","4018","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H60 Fe N4 -","- C45 H60 Fe N4 -","- C180 H240 Fe4 N16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057165y","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101222","10.5181","0.0008","12.1422","0.0011","15.0667","0.0014","96.056","0.004","93.086","0.004","103.537","0.003","1854.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H54 Fe N4 -","- C42 H54 Fe N4 -","- C84 H108 Fe2 N8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057165y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101223","9.8953","0.0015","17.475","0.002","13.3535","0.001","90","","106.336","0.007","90","","2215.9","0.5","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O7 -","- C25 H25 N O7 -","- C100 H100 N4 O28 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101224","12.8791","0.0015","16.3859","0.0016","19.941","0.002","90","","90","","90","","4208.3","0.8","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Br N O7 -","- C22 H20 Br N O7 -","- C176 H160 Br8 N8 O56 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101225","7.9649","0.0011","16.527","0.003","20.98","0.004","90","","98.747","0.01","90","","2729.6","0.8","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Br Cl3 D N O7 -","- C26 H24 Br Cl3 D N O7 -","- C104 H96 Br4 Cl12 D4 N4 O28 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101226","7.179","0.002","14.634","0.005","22.134","0.007","90","","91.121","0.014","90","","2324.9","1.3","296.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Co3 N24 O6 W2 -","- C32 H16 Co3 N24 O6 W2 -","- C64 H32 Co6 N48 O12 W4 -","2","0.5","","Ohkoshi Shin-ichi; Satoru Ikeda; Toshiya Hozumi; Toshinori Kashiwagi; Kazuhito Hashimoto","Photo-induced magnetization with a high magnetic ordering temperature and a large coercive field in a cyano-bridged cobalt-tungstate bimetal assembly","Journal of the American Chemical Society","2006","","","","","10.1021/ja060510e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101227","14.3846","0.0016","20.739","0.002","30.895","0.004","90","","100.687","0.002","90","","9057","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H116 B K N4 O6 -","- C104 H116 B K N4 O6 -","- C416 H464 B4 K4 N16 O24 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060502y","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101228","6.8108","0.0015","14.658","0.003","9.791","0.002","90","","107.796","0.006","90","","930.6","0.3","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N3 O6 -","- C19 H24 N3 O6 -","- C38 H48 N6 O12 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060846o","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101229","46.324","0.005","42.268","0.004","41.896","0.004","90","","112.549","0.002","90","","75763","13","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- H1262 K43 Mo214 Na11 O1404 S12 V34 -","- K21 Mo213.6 O1002.72 S12 V30 -","- K42 Mo427.2 O2005.44 S24 V60 -","2","0.25","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060886s","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101230","9.1533","0.0003","10.3494","0.0003","10.603","0.0003","92.71","0.0018","108.658","0.0018","114.178","0.0013","849.49","0.04","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060877j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101231","6.3238","0.0009","7.478","0.001","17.941","0.002","94.542","0.008","93.456","0.007","90.805","0.006","844.1","0.2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C38 H42 N2 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060877j","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101232","10.0475","0.0002","12.3317","0.0007","20.1691","0.0005","72.591","0.008","89.716","0.008","81.637","0.003","2357.2","0.2","273.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H82 Ni2 O2 P2 -","- C46 H82 Ni2 O2 P2 -","- C92 H164 Ni4 O4 P4 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101233","9.5584","0.0007","16.3202","0.0013","16.2667","0.0013","90","","94.116","0.001","90","","2531","0.3","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","(anthracene)Mo(PMe3)3","","","- C23 H37 Mo P3 -","- C23 H37 Mo P3 -","- C92 H148 Mo4 P12 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058107f","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101234","16.0464","0.0019","9.5126","0.0012","29.522","0.004","90","","90","","90","","4506.3","1","243","2","243","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(NpH)Mo(PMe3)3","","","- C19 H35 Mo P3 -","- C19 H35 Mo P3 -","- C152 H280 Mo8 P24 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058107f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101235","7.0168","0.0002","8.4454","0.0002","24.1473","0.0006","90","","90","","90","","1430.96","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O4 -","- C15 H15 Cl O4 -","- C60 H60 Cl4 O16 -","4","1","","Overgaard, Jacob","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058490o","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101236","14.038","0.002","4.3526","0.001","14.864","0.002","90","","117.055","0.016","90","","808.8","0.3","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C40 H28 O8 -","2","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101237","21.034","0.002","4.9644","0.0009","18.847","0.003","90","","108.888","0.012","90","","1862.1","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H4 F10 O4 -","- C20 H4 F10 O4 -","- C80 H16 F40 O16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101238","16.8225","0.0016","7.1205","0.0007","15.706","0.0014","90","","107.423","0.008","90","","1795","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H9 F5 O4 -","- C20 H9 F5 O4 -","- C80 H36 F20 O16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101239","5.9825","0.0007","7.5763","0.001","19.295","0.002","96.91","0.01","91.736","0.009","93.071","0.01","866.37","0.18","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H18 F10 O8 -","- C40 H18 F10 O8 -","- C40 H18 F10 O8 -","1","0.5","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101240","5.9737","0.0013","7.5892","0.0016","19.199","0.003","97.473","0.016","91.757","0.016","92.796","0.017","861.4","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H9 F5 O4 -","- C20 H9 F5 O4 -","- C40 H18 F10 O8 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0603204","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101241","8.237","0.0005","8.499","0.0006","11.211","0.001","92.478","0.003","110.281","0.003","113.705","0.003","658.66","0.09","130","2","130","2","","","","","","","","4","P -1","-P 1","2","methyl red","","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C30 H30 N6 O4 -","2","1","","Jason B. Benedict; Dawn E. Cohen; Scott Lovell; Andrew L. Rohl; Bart Kahr","'What is syncrystallization? States of the pH indicator methyl red in crystals of phthalic acid'","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601181","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101242","7.022","0.0003","13.553","0.0007","21.84","0.0012","90","","99.984","0.002","90","","2047.02","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MR-25DHB","","","- C22 H21 N3 O6 -","- C22 H21 N3 O6 -","- C88 H84 N12 O24 -","4","1","","Jason B. Benedict; Dawn E. Cohen; Scott Lovell; Andrew L. Rohl; Bart Kahr","'What is syncrystallization? States of the pH indicator methyl red in crystals of phthalic acid'","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601181","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101243","7.89","0.0002","11.898","0.0004","16.662","0.0007","90","","92.568","0.0011","90","","1562.58","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MRHBrH20","","","- C15 H18 Br N3 O3 -","- C15 H18 Br N3 O3 -","- C60 H72 Br4 N12 O12 -","4","1","","Jason B. Benedict; Dawn E. Cohen; Scott Lovell; Andrew L. Rohl; Bart Kahr","'What is syncrystallization? States of the pH indicator methyl red in crystals of phthalic acid'","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601181","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101244","9.083","0.0005","14.185","0.0007","26.653","0.002","90","0","98.042","0.004","90","0","3400.3","0.4","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","0.5PA-MR","","","- C19 H18 N3 O4 -","- C19 H18 N3 O4 -","- C152 H144 N24 O32 -","8","1","","Jason B. Benedict; Dawn E. Cohen; Scott Lovell; Andrew L. Rohl; Bart Kahr","'What is syncrystallization? States of the pH indicator methyl red in crystals of phthalic acid'","Journal of the American Chemical Society","2006","","","","","10.1021/ja0601181","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101245","16.9603","0.001","20.6955","0.0009","20.1896","0.001","90","","96.263","0.002","90","","7044.3","0.6","170","2","170","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","P5L","","","- C42 H87 F12 N2 P5 Re6 Sb2 Se8 -","- C42.002 H87 F12 N2 P5 Re6 Sb2 Se8 -","- C168.008 H348 F48 N8 P20 Re24 Sb8 Se32 -","4","1","","Roland, Bryan K; Flora, Ware H; Selby, Hugh D; Armstrong, Neal R; Zheng, Zhiping","Dendritic arrays of [Re6(mu3-Se)8]2+ core-containing clusters: exploratory synthesis and electrochemical studies.","Journal of the American Chemical Society","2006","128","20","6620","6625","10.1021/ja057548w","","","0.71073","MoKα","","0.0417","0.0299","","","0.0753","0.079","","","","","","1.057","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101246","65.68","0.07","65.68","0.07","79.46","0.08","90","","90","","120","","296844","515","98","2","98","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C846 H1919 N262 O491 S8.83 -","- C849.41 H1342.9 N261.7 O648.31 S12.94 -","- C5096.46 H8057.4 N1570.2 O3889.86 S77.64 -","6","1","","Fuhrmann, Cynthia N; Daugherty, Matthew D; Agard, David A","Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis.","Journal of the American Chemical Society","2006","128","28","9086","9102","10.1021/ja057721o","","","0.785","","","0.0817","0.0728","","","0.1999","0.2056","","","","","","1.691","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101247","65.77","0.07","65.77","0.07","79.55","0.08","90","","90","","120","","298004","518","98","2","98","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C846 H2027 B N262 O581 S9.5 -","- C866.99 H1367.07 N265.96 O639.78 S11.32 -","- C5201.94 H8202.42 N1595.76 O3838.68 S67.92 -","6","1","","Fuhrmann, Cynthia N; Daugherty, Matthew D; Agard, David A","Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis.","Journal of the American Chemical Society","2006","128","28","9086","9102","10.1021/ja057721o","","","0.75","","","0.0819","0.0733","","","0.2061","0.2203","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101248","6.2719","0.0014","13.059","0.004","22.493","0.006","90.09","0.02","90.065","0.019","91.76","0.02","1841.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- P S4 Sb -","- P S4 Sb -","- P12 S48 Sb12 -","12","6","","Malliakas, Christos D; Kanatzidis, Mercouri G","Inorganic single wall nanotubes of SbPS(4-x)Se(x) (0 < or = x < or = 3) with tunable band gap.","Journal of the American Chemical Society","2006","128","20","6538","6539","10.1021/ja057943m","","","0.71073","MoKα","","0.1512","0.117","","","0.2657","0.2808","","","","","","1.222","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101249","12.2516","0.0002","12.8193","0.0002","24.8929","0.0003","90","","90","","90","","3909.6","0.1","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","boecp1","","","- C42 H58 O12 -","- C42 H58 O12 -","- C168 H232 O48 -","4","1","","Boeckman, Jr, Robert K; Shao, Pengcheng; Wrobleski, Stephen T; Boehmler, Debra J; Heintzelman, Geoffrey R; Barbosa, Antonio J","Toward the development of a general chiral auxiliary. A total synthesis of (+)-tetronolide via a tandem ketene-trapping [4 + 2] cycloaddition strategy.","Journal of the American Chemical Society","2006","128","32","10572","10588","10.1021/ja0581346","","","0.71073","MoKα","","0.0348","0.0325","","","0.0828","0.0845","","","","","","1.061","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101250","46.929","0.004","11.5729","0.0009","17.8941","0.0014","90","","90","","90","","9718.4","1.4","150","","150","","","","","","","","?","7","I b a 2","I 2 -2c","45","","","","- C52 H45 Br2 Ir N2 O2 S2 -","- C52 H45 Br2 Ir N2 O2 S2 -","- C416 H360 Br16 Ir8 N16 O16 S16 -","8","1","","Evans, Nicholas R; Sudha Devi, Lekshmi; Mak, Chris S K; Watkins, Scott E; Pascu, Sofia I; Köhler, Anna; Friend, Richard H; Williams, Charlotte K; Holmes, Andrew B","Triplet energy back transfer in conjugated polymers with pendant phosphorescent iridium complexes.","Journal of the American Chemical Society","2006","128","20","6647","6656","10.1021/ja0584267","","","0.6904","synchrotron","","0.0722","0.0388","","0.089","0.0455","0.0455","","","","","","1.0006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101251","12.6135","0.0002","14.2569","0.0002","18.018","0.0003","90","","90","","90","","3240.17","0.09","180","","180","","","","","","","","?","6","P c a 21","P 2c -2ac","29","","","","- C35 H33 Ir N2 O3 S2 -","- C35 H33 Ir N2 O3 S2 -","- C140 H132 Ir4 N8 O12 S8 -","4","1","","Evans, Nicholas R; Sudha Devi, Lekshmi; Mak, Chris S K; Watkins, Scott E; Pascu, Sofia I; Köhler, Anna; Friend, Richard H; Williams, Charlotte K; Holmes, Andrew B","Triplet energy back transfer in conjugated polymers with pendant phosphorescent iridium complexes.","Journal of the American Chemical Society","2006","128","20","6647","6656","10.1021/ja0584267","","","0.71073","MoKα","","0.0263","0.0204","","0.0321","0.0285","0.0285","","","","","","0.8464","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101252","4.5636","0.0012","9.979","0.003","20.116","0.006","81.1","0.03","86.46","0.02","88.48","0.03","903.2","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H30 N4 O2 -","- C17 H30 N4 O2 -","- C34 H60 N8 O4 -","2","1","","Lafitte, Valérie G H; Aliev, Abil E; Horton, Peter N; Hursthouse, Michael B; Bala, Kason; Golding, Peter; Hailes, Helen C","Quadruply hydrogen bonded cytosine modules for supramolecular applications.","Journal of the American Chemical Society","2006","128","20","6544","6545","10.1021/ja0587289","","","0.71073","MoKα","","0.0795","0.0572","","","0.1346","0.1499","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101253","14.938","0.003","9.6522","0.0017","15.763","0.003","90","","106.491","0.002","90","","2179.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N P Sn -","- C23 H28 N P Sn -","- C92 H112 N4 P4 Sn4 -","4","1","","Grundy, Joanna; Donnadieu, Bruno; Mathey, François","The alpha-iminophospholide ligands.","Journal of the American Chemical Society","2006","128","24","7716","7717","10.1021/ja060100q","","","0.71073","MoKα","","0.0342","0.03","","","0.1103","0.1146","","","","","","1.036","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101254","14.9291","0.0003","17.6446","0.0004","17.8388","0.0004","67.097","0.001","79.278","0.001","67.324","0.001","3990.42","0.15","293","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H84 Cl8 Cu4 N4 P4 -","- C84 H84 Cl8 Cu4 N4 P4 -","- C168 H168 Cl16 Cu8 N8 P8 -","2","1","","Grundy, Joanna; Donnadieu, Bruno; Mathey, François","The alpha-iminophospholide ligands.","Journal of the American Chemical Society","2006","128","24","7716","7717","10.1021/ja060100q","","","0.71073","MoKα","","0.0335","0.0265","","","0.0688","0.074","","","","","","1.065","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101255","9.4466","0.0019","10.052","0.002","13.087","0.003","90","","98.62","0.03","90","","1228.7","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 Cl N2 O2 -","- C29 H25 Cl N2 O2 -","- C58 H50 Cl2 N4 O4 -","2","1","","Sharma, Vasudha; Peddibhotla, Satyamaheshwar; Tepe, Jetze J","Sensitization of cancer cells to DNA damaging agents by imidazolines.","Journal of the American Chemical Society","2006","128","28","9137","9143","10.1021/ja060273f","","","0.71073","MoKα","","0.04","0.0302","","","0.0829","0.0913","","","","","","0.688","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101256","10.256","0.002","11.428","0.002","13.011","0.003","90.97","0.03","105.28","0.03","90.96","0.03","1470.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cl4 N2 O2 -","- C30 H26 Cl4 N2 O2 -","- C60 H52 Cl8 N4 O4 -","2","1","","Sharma, Vasudha; Peddibhotla, Satyamaheshwar; Tepe, Jetze J","Sensitization of cancer cells to DNA damaging agents by imidazolines.","Journal of the American Chemical Society","2006","128","28","9137","9143","10.1021/ja060273f","","","0.71073","MoKα","","0.1346","0.0484","","","0.119","0.1587","","","","","","0.813","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101257","14.573","0.002","14.573","0.002","10.354","0.001","90","","90","","120","","1904.3","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Val-Val","L-Valyl-L-Valine","","- C10 H20 N2 O3 -","- C10 H20 N2 O3 -","- C60 H120 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0329","0.0304","","","0.0774","0.0786","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101258","14.774","0.002","14.774","0.002","10.319","0.001","90","","90","","120","","1950.6","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Val-Ile","L-Valyl-L-Isoleucine","","- C11 H22 N2 O3 -","- C11 H22 N2 O3 -","- C66 H132 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.033","0.0313","","","0.0827","0.0842","","","","","","1.045","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101259","18.138","0.002","18.138","0.002","6.163","0.001","90","","90","","120","","1755.9","0.4","293","2","293","2","","","","","","","","4","P 65","P 65","170","Leu-Ser","L-Leucyl-L-Serine","","- C9 H18 N2 O4 -","- C9 H18 N2 O4 -","- C54 H108 N12 O24 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0303","0.0289","","","0.0803","0.0815","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101260","14.871","0.002","14.871","0.002","10.305","0.001","90","","90","","120","","1973.6","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","L-Ile-L-Val","L-Isoleucyl-L-Valine","","- C11 H22 N2 O3 -","- C11 H22 N2 O3 -","- C66 H132 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0322","0.0304","","","0.0785","0.0796","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101261","14.481","0.002","14.481","0.002","10.037","0.001","90","","90","","120","","1822.8","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Ile-Ala","L-Isoleucyl-L-Alanine","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C54 H108 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0414","0.0367","","","0.0925","0.095","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101262","14.261","0.002","14.261","0.002","10.221","0.001","90","","90","","120","","1800.2","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Ala-Ile","L-Alanyl-L-Isoleucine","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C54 H108 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0367","0.0343","","","0.0884","0.0898","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101263","24.579","0.005","23.016","0.005","10.511","0.005","90","0.005","98.643","0.005","90","0.005","5879","3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-samarium chloride clathrate hydrate)","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-samarium chloride clathrate hydrate)","","- C30 H18 Ba2 Cl N6 O37.14 S6 Sm -","- C30 H18 Ba2 Cl N6 O37.14 S6 Sm -","- C120 H72 Ba8 Cl4 N24 O148.56 S24 Sm4 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","x-ray","0.71069","MoKα","","0.0775","0.0471","","","0.1182","0.1354","","","","","","1.012","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101264","24.423","0.005","22.995","0.005","10.498","0.002","90","","98.54","0.03","90","","5830","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","catena-(tris(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-gadolinium chloride clathrate hydrate)","catena-(tris(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-gadolinium chloride clathrate hydrate)","","- C30 H18 Ba2 Cl Gd N6 O39.16 S6 -","- C30 H18 Ba2 Cl Gd N6 O39.146 S6 -","- C120 H72 Ba8 Cl4 Gd4 N24 O156.584 S24 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","x-ray","0.71073","MoKα","","0.0714","0.048","","","0.1341","0.1639","","","","","","1.121","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101265","24.525","0.005","22.917","0.005","10.531","0.005","90","0.005","98.595","0.005","90","0.005","5852","3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-terbium chloride clathrate hydrate)","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-terbium chloride clathrate hydrate)","","- C30 H18 Ba2 Cl N6 O38.22 S6 Tb -","- C30 H18 Ba2 Cl N6 O38.22 S6 Tb -","- C120 H72 Ba8 Cl4 N24 O152.88 S24 Tb4 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","x-ray","0.71069","MoKα","","0.1253","0.0585","","","0.1495","0.1926","","","","","","0.976","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101266","24.627","0.005","22.651","0.005","10.547","0.005","90","0.005","98.168","0.005","90","0.005","5824","3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-dysprosium chloride clathrate hydrate)","catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-dysprosium chloride clathrate hydrate)","","- C30 H18 Ba2 Cl Dy N6 O34.48 S6 -","- C30 H18 Ba2 Cl Dy N6 O34.48 S6 -","- C120 H72 Ba8 Cl4 Dy4 N24 O137.92 S24 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","x-ray","0.71069","MoKα","","0.065","0.0379","","","0.0972","0.1109","","","","","","1.006","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101267","24.55","0.002","23.026","0.002","10.4867","0.001","90","","98.796","0.002","90","","5858.5","1","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25.5 Ba2 Cl Eu N6 O34.5 S6 -","- C30 H26 Ba2 Cl Eu N6 O34.5 S6 -","- C120 H104 Ba8 Cl4 Eu4 N24 O138 S24 -","4","1","","Chandler, Brett D; Cramb, David T; Shimizu, George K H","Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.","Journal of the American Chemical Society","2006","128","32","10403","10412","10.1021/ja060666e","","","0.71073","MoKα","","0.0939","0.0635","","","0.1557","0.1714","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101268","13.9099","0.0012","19.766","0.0016","15.7615","0.0013","90","","98.033","0.002","90","","4291","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Piv-Pro-Pro-Aib-Leu-Aib-Phe-OMe","Pivaloyl-prolyl-prolyl-alpha-aminoisobutyryl-leucyl-alpha-aminoisobutyryl- phenylalanyl-methyl ester","","- C39 H60 N6 O8 -","- C39 H60 N6 O8 -","- C156 H240 N24 O32 -","4","2","","Rai, Rajkishor; Aravinda, Subrayashastry; Kanagarajadurai, Karuppiah; Raghothama, Srinivasarao; Shamala, Narayanaswamy; Balaram, Padmanabhan","Diproline templates as folding nuclei in designed peptides. Conformational analysis of synthetic peptide helices containing amino terminal Pro-Pro segments.","Journal of the American Chemical Society","2006","128","24","7916","7928","10.1021/ja060674v","","","0.71073","MoKα","","0.0733","0.0546","","","0.1445","0.1597","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101269","9.086","0.0017","24.088","0.004","7.7691","0.0014","90","","115.028","0.002","90","","1540.7","0.5","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H14 Cd Cl N5 O2 -","- C13 H14 Cd Cl N5 O2 -","- C52 H56 Cd4 Cl4 N20 O8 -","4","1","","Ye, Qiong; Song, Yu-Mei; Wang, Guo-Xi; Chen, Kai; Fu, Da-Wei; Chan, Philip Wai Hong; Zhu, Jin-Song; Huang, Songping D; Xiong, Ren-Gen","Ferroelectric metal-organic framework with a high dielectric constant.","Journal of the American Chemical Society","2006","128","20","6554","6555","10.1021/ja060856p","","","0.71073","MoKα","","0.0554","0.0515","","","0.1268","0.1282","","","","","","1.029","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101270","24.3311","0.0003","46.3186","0.0006","46.72","0.0007","90","","99.6656","0.0008","90","","51905","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C142.75 H171 Mn3.85 N45.75 O101.25 Pd6 -","- C142.854 H171.065 Mn3.857 N45.818 O100.888 Pd6 -","- C1142.83 H1368.52 Mn30.856 N366.544 O807.1 Pd48 -","8","2","","Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto","Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage.","Journal of the American Chemical Society","2006","128","20","6558","6559","10.1021/ja0609250","","","0.689","synchrotron","","0.1738","0.1233","","","0.3497","0.3846","","","","","","1.335","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101271","24.3225","0.0004","45.7184","0.0006","46.6645","0.0007","90","","99.5401","0.0004","90","","51173","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C142.75 H171.5 Mn3.84 N45.5 O97.25 Pd6 -","- C142.726 H171.381 Mn3.847 N45.425 O97.261 Pd6 -","- C1141.81 H1371.05 Mn30.776 N363.4 O778.088 Pd48 -","8","2","","Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto","Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage.","Journal of the American Chemical Society","2006","128","20","6558","6559","10.1021/ja0609250","","","0.689","synchrotron","","0.1502","0.1125","","","0.3204","0.3445","","","","","","1.234","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101272","29.055","0.003","29.055","0.003","30.767","0.007","90","","90","","90","","25973","7","78","2","78","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C157.48 H111.92 Mn3.18 N45.66 O106.58 Pd6 -","- C157.184 H111.74 Mn3.148 N45.664 O106.536 Pd6 -","- C628.736 H446.96 Mn12.592 N182.656 O426.144 Pd24 -","4","0.5","","Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto","Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage.","Journal of the American Chemical Society","2006","128","20","6558","6559","10.1021/ja0609250","","","0.71073","MoKα","","0.1633","0.1022","","","0.2581","0.3117","","","","","","1.074","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101273","10.7492","0.0003","6.9262","0.0002","11.6456","0.0003","90","","115.72","0.001","90","","781.13","0.04","78","2","78","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Mn O3 -","- C8 H5 Mn O3 -","- C32 H20 Mn4 O12 -","4","1","","Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto","Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage.","Journal of the American Chemical Society","2006","128","20","6558","6559","10.1021/ja0609250","","","0.71073","MoKα","","0.0357","0.0249","","","0.0627","0.0665","","","","","","1.031","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101274","8.0847","0.0016","17.899","0.004","13.168","0.003","90","","107.26","0.03","90","","1819.7","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","","Elliott, Gregory I; Fuchs, James R; Blagg, Brian S J; Ishikawa, Hayato; Tao, Houchao; Yuan, Z-Q; Boger, Dale L","Intramolecular diels-alder/1,3-dipolar cycloaddition cascade of 1,3,4-oxadiazoles.","Journal of the American Chemical Society","2006","128","32","10589","10595","10.1021/ja0612549","","","0.71073","MoKα","","0.1038","0.0693","","","0.1805","0.2064","","","","","","1.052","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101275","8.21","0.004","9.372","0.005","18.942","0.01","97.915","0.01","93.978","0.01","101.191","0.011","1409.2","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 N2 O7 -","- C30 H34 N2 O7 -","- C60 H68 N4 O14 -","2","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.1359","0.0629","","","0.1469","0.185","","","","","","1.009","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101276","8.6242","0.0008","10.7709","0.0009","21.359","0.0019","90","","97.95","0.002","90","","1965","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O3 -","- C22 H30 N2 O3 -","- C88 H120 N8 O12 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0798","0.0528","","","0.1365","0.1567","","","","","","1.023","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101277","10.191","0.002","13.011","0.003","15.311","0.003","90","","90","","90","","2030.2","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0457","0.0405","","","0.1001","0.1033","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101278","11.485","0.002","13.835","0.003","19.763","0.004","90","","90","","90","","3140.2","1.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 N2 O4 S Si -","- C31 H46 N2 O4 S Si -","- C124 H184 N8 O16 S4 Si4 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.1349","0.116","","","0.3026","0.3222","","","","","","1.217","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101279","10.1539","0.0015","11.5677","0.0017","17.553","0.003","90","","90","","90","","2061.8","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C92 H112 N8 O16 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0603","0.0538","","","0.1381","0.1436","","","","","","0.926","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101280","8.8858","0.0018","6.9643","0.0014","15.401","0.003","90","","98.36","0.03","90","","942.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C42 H48 N4 O8 -","2","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.063","0.051","","","0.1112","0.1165","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101281","13.2501","0.0015","9.0998","0.001","22.7","0.003","90","","104.187","0.002","90","","2653.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C120 H136 N8 O24 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.1062","0.0525","","","0.1246","0.1464","","","","","","1.025","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101282","9.7531","0.0006","14.2685","0.0009","19.3063","0.0012","90","","101.784","0.001","90","","2630.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C120 H136 N8 O24 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0924","0.0538","","","0.1297","0.1474","","","","","","1.03","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101283","14.772","0.003","14.944","0.003","18.334","0.004","109.94","0.03","95.96","0.03","110.8","0.03","3438","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H37 Br N2 O8 -","- C37 H37 Br N2 O8 -","- C148 H148 Br4 N8 O32 -","4","2","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.1431","0.0633","","","0.1423","0.1804","","","","","","0.96","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101284","11.298","0.002","12.007","0.002","17.511","0.004","90","","90","","90","","2375.4","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Br2 N2 O5 -","- C23 H26 Br2 N2 O5 -","- C92 H104 Br8 N8 O20 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0464","0.0361","","","0.0967","0.1041","","","","","","0.915","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101285","15.38","0.0002","15.404","0.0002","18.353","0.0004","75.291","0.001","66.291","0.001","65.176","0.001","3594.25","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","dichlorobis(1,6-bisdiphenylphosphinohexane)cobalt","","- C69 H82 Cl4 Co2 O3 P4 -","- C69 H82 Cl4 Co2 O3 P4 -","- C138 H164 Cl8 Co4 O6 P8 -","2","1","","Affo, Walter; Ohmiya, Hirohisa; Fujioka, Takuma; Ikeda, Yousuke; Nakamura, Tomoaki; Yorimitsu, Hideki; Oshima, Koichiro; Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Cobalt-catalyzed trimethylsilylmethylmagnesium-promoted radical alkenylation of alkyl halides: a complement to the Heck reaction.","Journal of the American Chemical Society","2006","128","24","8068","8077","10.1021/ja061417t","","","0.71069","MoKα","","0.0824","0.0567","","","0.1448","0.1617","","","","","","1.059","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101286","19.1884","0.0012","12.1771","0.0008","19.0995","0.0012","90","","90","","90","","4462.8","0.5","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","[RuCp(=C(COOEt)-η^3^-CHC(COOEt)CH-IPr^i^)]PF~6~.CH~2~Cl~2~","","","- C43 H55 Cl2 F6 N2 O4 P Ru -","- C43 H55 Cl2 F6 N2 O4 P Ru -","- C172 H220 Cl8 F24 N8 O16 P4 Ru4 -","4","1","","Becker, Eva; Stingl, Verena; Dazinger, Georg; Puchberger, Michael; Mereiter, Kurt; Kirchner, Karl","Facile migratory insertion of a N-heterocyclic carbene into a ruthenium-carbon double bond: a new type of reaction of a NHC ligand.","Journal of the American Chemical Society","2006","128","20","6572","6573","10.1021/ja061454k","","","0.71073","MoKα","","0.0364","0.0333","","","0.0881","0.0903","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101287","9.9577","0.0008","12.1717","0.0009","12.9933","0.001","92.232","0.002","104.417","0.002","103.785","0.002","1473.2","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H25 Cl3 Cr F6 N5 O2 Sb -","- C22 H24 Cl Cr F6 N5 O2 Sb -","- C44 H48 Cl2 Cr2 F12 N10 O4 Sb2 -","2","1","","Tomov, Atanas K; Chirinos, Juan J; Long, Richard J; Gibson, Vernon C; Elsegood, Mark R J","An unprecedented alpha-olefin distribution arising from a homogeneous ethylene oligomerization catalyst.","Journal of the American Chemical Society","2006","128","24","7704","7705","10.1021/ja0615369","","","0.71073","MoKα","","0.0961","0.0461","","","0.0935","0.1079","","","","","","0.949","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101288","16.0881","0.0015","12.9815","0.0012","12.2632","0.0011","90","","90","","90","","2561.1","0.4","295","2","295","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H33 B N6 O P2 Ru -","- C21 H33 B N6 O P2 Ru -","- C84 H132 B4 N24 O4 P8 Ru4 -","4","0.5","","Feng, Yuee; Lail, Marty; Foley, Nicholas A; Gunnoe, T Brent; Barakat, Khaldoon A; Cundari, Thomas R; Petersen, Jeffrey L","Hydrogen-deuterium exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and deuterated arene solvents: evidence for metal-mediated processes.","Journal of the American Chemical Society","2006","128","24","7982","7994","10.1021/ja0615775","","","0.71073","MoKα","","0.0325","0.0246","","","0.0622","0.0674","","","","","","1.064","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101289","10.4395","0.0005","16.5658","0.0009","14.5617","0.0008","90","","91.616","0.001","90","","2517.3","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 B N6 P2 Ru -","- C21 H33 B N6 P2 Ru -","- C84 H132 B4 N24 P8 Ru4 -","4","1","","Feng, Yuee; Lail, Marty; Foley, Nicholas A; Gunnoe, T Brent; Barakat, Khaldoon A; Cundari, Thomas R; Petersen, Jeffrey L","Hydrogen-deuterium exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and deuterated arene solvents: evidence for metal-mediated processes.","Journal of the American Chemical Society","2006","128","24","7982","7994","10.1021/ja0615775","","","0.71073","MoKα","","0.052","0.0321","","","0.0707","0.0776","","","","","","1.025","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101290","18.778","0.002","9.4456","0.001","13.1493","0.0013","90","","90","","90","","2332.3","0.4","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H27 B N7 P Ru -","- C20 H27 B N7 P Ru -","- C80 H108 B4 N28 P4 Ru4 -","4","1","","Feng, Yuee; Lail, Marty; Foley, Nicholas A; Gunnoe, T Brent; Barakat, Khaldoon A; Cundari, Thomas R; Petersen, Jeffrey L","Hydrogen-deuterium exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and deuterated arene solvents: evidence for metal-mediated processes.","Journal of the American Chemical Society","2006","128","24","7982","7994","10.1021/ja0615775","","","0.71073","MoKα","","0.0441","0.0386","","","0.0883","0.0919","","","","","","1.04","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101291","9.5798","0.0009","17.5497","0.0016","12.2467","0.0011","90","","111.667","0.002","90","","1913.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 B10 -","- C14 H30 B10 -","- C56 H120 B40 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Nickel-mediated regioselective [2 + 2 + 2] cycloaddition of carboryne with alkynes.","Journal of the American Chemical Society","2006","128","24","7728","7729","10.1021/ja061605j","","","0.71073","MoKα","","0.1121","0.0683","","","0.1681","0.2042","","","","","","1.044","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101292","9.9134","0.0009","16.3843","0.0015","15.4447","0.0014","90","","104.198","0.002","90","","2432","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 B10 -","- C18 H38 B10 -","- C72 H152 B40 -","4","0.5","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Nickel-mediated regioselective [2 + 2 + 2] cycloaddition of carboryne with alkynes.","Journal of the American Chemical Society","2006","128","24","7728","7729","10.1021/ja061605j","","","0.71073","MoKα","","0.0741","0.053","","","0.1495","0.1671","","","","","","1.046","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101293","38.779","0.002","38.779","0.002","12.1544","0.0013","90","","90","","120","","15829","2","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 H30 B10 -","- C30 H30 B10 -","- C540 H540 B180 -","18","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Nickel-mediated regioselective [2 + 2 + 2] cycloaddition of carboryne with alkynes.","Journal of the American Chemical Society","2006","128","24","7728","7729","10.1021/ja061605j","","","0.71073","MoKα","","0.1837","0.0998","","","0.2629","0.3648","","","","","","1.051","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101294","12.868","0.003","12.278","0.003","14.193","0.003","90","","102.27","0.03","90","","2191.3","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 B10 -","- C20 H26 B10 -","- C80 H104 B40 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Nickel-mediated regioselective [2 + 2 + 2] cycloaddition of carboryne with alkynes.","Journal of the American Chemical Society","2006","128","24","7728","7729","10.1021/ja061605j","","","0.71073","MoKα","","0.0841","0.0611","","","0.1439","0.1551","","","","","","1.159","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101295","10.382","0.0018","18.552","0.003","28.499","0.005","90","","91.956","0.003","90","","5485.9","1.7","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H21 F26 N7 O5 -","- C61 H21 F26 N7 O5 -","- C244 H84 F104 N28 O20 -","4","1","","Hiroto, Satoru; Shinokubo, Hiroshi; Osuka, Atsuhiro","Porphyrin synthesis in water provides new expanded porphyrins with direct bipyrrole linkages: isolation and characterization of two heptaphyrins.","Journal of the American Chemical Society","2006","128","20","6568","6569","10.1021/ja061621g","","","0.71073","MoKα","","0.1231","0.0916","","","0.2382","0.2673","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101296","19.12","0.004","31.455","0.007","39.222","0.006","90","","113.439","0.008","90","","21642","7","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C161 H44 Cl3 F90 N14 O25 -","- C161 H44 Cl3 F90 N14 O25 -","- C644 H176 Cl12 F360 N56 O100 -","4","1","","Hiroto, Satoru; Shinokubo, Hiroshi; Osuka, Atsuhiro","Porphyrin synthesis in water provides new expanded porphyrins with direct bipyrrole linkages: isolation and characterization of two heptaphyrins.","Journal of the American Chemical Society","2006","128","20","6568","6569","10.1021/ja061621g","","","0.71073","MoKα","","0.1289","0.0863","","","0.2326","0.2565","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101297","11.921","0.005","13.3","0.005","29.176","0.01","101.478","0.013","95.064","0.015","107.334","0.015","4273","3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H31 Cl3 F35 N8 -","- C99 H31 Cl3 F35 N8 -","- C198 H62 Cl6 F70 N16 -","2","1","","Hiroto, Satoru; Shinokubo, Hiroshi; Osuka, Atsuhiro","Porphyrin synthesis in water provides new expanded porphyrins with direct bipyrrole linkages: isolation and characterization of two heptaphyrins.","Journal of the American Chemical Society","2006","128","20","6568","6569","10.1021/ja061621g","","","0.71075","MoKα","","0.1271","0.0802","","","0.209","0.2393","","","","","","1.045","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101298","14.8265","0.0007","7.0692","0.0003","16.7136","0.0009","90","","100.316","0.002","90","","1723.46","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","?","- C152 H168 N8 O48 -","- C152 H168 N8 O48 -","","","","Reczek, Joseph J; Villazor, Karen R; Lynch, Vincent; Swager, Timothy M; Iverson, Brent L","Tunable columnar mesophases utilizing C2 symmetric aromatic donor-acceptor complexes.","Journal of the American Chemical Society","2006","128","24","7995","8002","10.1021/ja061649s","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101299","10.1516","0.0003","9.8122","0.0002","10.1948","0.0002","90","","92.974","0.001","90","","1014.13","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","?","- C88 H128 O8 -","- C88 H128 O8 -","","","","Reczek, Joseph J; Villazor, Karen R; Lynch, Vincent; Swager, Timothy M; Iverson, Brent L","Tunable columnar mesophases utilizing C2 symmetric aromatic donor-acceptor complexes.","Journal of the American Chemical Society","2006","128","24","7995","8002","10.1021/ja061649s","","","","","","","","","","","","","","","","","","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101300","41.893","0.002","6.8695","0.0003","8.4203","0.0003","90","","90.833","0.002","90","","2422.97","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","?","- C112 H136 N8 O16 -","- C112 H136 N8 O16 -","","","","Reczek, Joseph J; Villazor, Karen R; Lynch, Vincent; Swager, Timothy M; Iverson, Brent L","Tunable columnar mesophases utilizing C2 symmetric aromatic donor-acceptor complexes.","Journal of the American Chemical Society","2006","128","24","7995","8002","10.1021/ja061649s","","","","","","","","","","","","","","","","","","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101301","9.2006","0.0002","8.5041","0.0002","8.6679","0.0002","90","","94.442","0.001","90","","676.164","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","?","- C64 H80 O8 -","- C64 H80 O8 -","","","","Reczek, Joseph J; Villazor, Karen R; Lynch, Vincent; Swager, Timothy M; Iverson, Brent L","Tunable columnar mesophases utilizing C2 symmetric aromatic donor-acceptor complexes.","Journal of the American Chemical Society","2006","128","24","7995","8002","10.1021/ja061649s","","","","","","","","","","","","","","","","","","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101302","13.041","0.006","13.041","0.006","11.672","0.011","90","","90","","120","","1719.1","1.9","173","2","173","2","","","","","","","","7","P -3","-P 3","147","","","","- C36 H72 K2 N4 O12 Pb12 Pt -","- C36 H72 K2 N4 O12 Pb12 Pt -","- C36 H72 K2 N4 O12 Pb12 Pt -","1","0.166667","","Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan","The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt.","Journal of the American Chemical Society","2006","128","28","9178","9186","10.1021/ja061842m","","","0.71073","MoKα","","0.073","0.0352","","","0.0825","0.0959","","","","","","1.055","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101303","13.59","0.0011","13.9389","0.0011","22.1236","0.0017","72.1144","0.0015","85.2884","0.0016","64.1532","0.0015","3582.8","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H80 K2 N4 O12 Pb12 Pd -","- C43 H80 K2 N4 O12 Pb12 Pd -","- C86 H160 K4 N8 O24 Pb24 Pd2 -","2","1","","Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan","The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt.","Journal of the American Chemical Society","2006","128","28","9178","9186","10.1021/ja061842m","","","0.71073","MoKα","","0.1014","0.0596","","","0.156","0.1671","","","","","","0.996","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101304","14.512","0.003","15.406","0.003","16.335","0.003","62.961","0.003","64.337","0.003","87.126","0.004","2882.6","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H80 K2 N6 Ni0.5 O12 Pb6 -","- C37.98 H72 K2 N5.98 Ni0.5 O12 Pb6 -","- C75.96 H144 K4 N11.96 Ni O24 Pb12 -","2","1","","Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan","The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt.","Journal of the American Chemical Society","2006","128","28","9178","9186","10.1021/ja061842m","","","0.71073","MoKα","","0.1689","0.1086","","","0.2671","0.2944","","","","","","0.989","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101305","24.843","0.003","11.9405","0.0016","21.403","0.003","90","","96.907","0.002","90","","6302.7","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H72 K2 N4 Ni O12 Pb10 -","- C36 H72 K2 N4 Ni O12 Pb10 -","- C144 H288 K8 N16 Ni4 O48 Pb40 -","4","0.5","","Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan","The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt.","Journal of the American Chemical Society","2006","128","28","9178","9186","10.1021/ja061842m","","","0.71073","MoKα","","0.0827","0.0582","","","0.1645","0.1764","","","","","","1.06","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101306","7.2276","0.0013","9.3724","0.0017","10.3744","0.0018","90","","92.231","0.003","90","","702.2","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C32 H48 O4 -","2","1","","McFadden, Ryan M; Stoltz, Brian M","The catalytic enantioselective, protecting group-free total synthesis of (+)-dichroanone.","Journal of the American Chemical Society","2006","128","24","7738","7739","10.1021/ja061853f","","","0.71073","MoKα","","0.0528","0.0417","","","0.0708","0.0729","","","","","","1.379","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101307","9.1287","0.0003","9.1287","0.0003","6.4903","0.0005","90","","90","","120","","468.4","0.04","293","","293","","","","210000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.0554","0.0458","","0.0602","0.0581","0.0581","","","","","","1.1296","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101308","9.0893","0.0004","9.0893","0.0004","6.4724","0.0007","90","","90","","120","","463.08","0.06","293","","293","","","","380000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.0623","0.052","","0.0609","0.0563","0.0563","","","","","","1.1458","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101309","8.9326","0.0002","8.9326","0.0002","6.401","0.0004","90","","90","","120","","442.32","0.03","293","","293","","","","1220000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.71073","MoKα","","0.0591","0.0456","","0.0584","0.0524","0.0524","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101310","8.8728","0.0008","8.8728","0.0008","6.362","0.0014","90","","90","","120","","433.76","0.11","293","","293","","","","1700000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.1112","0.0696","","0.1104","0.0891","0.0891","","","","","","1.1377","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101311","9.0215","0.0006","9.0215","0.0006","6.4395","0.001","90","","90","","120","","453.88","0.08","293","","293","","","","680000","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.068","0.0557","","0.0715","0.059","0.059","","","","","","1.1506","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101312","9.188","0.0013","9.188","0.0013","6.523","0.0013","90","","90","","120","","476.89","0.13","293","","293","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 Cl3 Mn N -","- C4 Cl3 Mn N -","- C8 Cl6 Mn2 N2 -","2","0.166667","","Tancharakorn, Somchai; Fabbiani, Francesca P A; Allan, David R; Kamenev, Konstantin V; Robertson, Neil","Combined magnetic and single-crystal X-ray structural study of the linear chain antiferromagnet [(CH3)4N][MnCl3] under varying pressure.","Journal of the American Chemical Society","2006","128","28","9205","9210","10.1021/ja061923i","","","0.6984","MoKα","","0.0516","0.0433","","0.0583","0.0563","0.0567","","","","","","1.0572","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101313","7.4815","0.0006","7.8984","0.0005","9.0478","0.0007","90","","90","","90","","534.65","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- B2 O7 Se2 -","- B2 O7 Se2 -","- B8 O28 Se8 -","4","1","","Kong, Fang; Huang, Shu-Ping; Sun, Zhong-Ming; Mao, Jiang-Gao; Cheng, Wen-Dan","Se2(B2O7): a new type of second-order NLO material.","Journal of the American Chemical Society","2006","128","24","7750","7751","10.1021/ja0620991","","","0.71073","MoKα","","0.0513","0.0416","","","0.0708","0.0741","","","","","","1.158","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101314","7.29","0.004","30.69","0.006","6.7","0.003","90","","100.38","0.04","90","","1474","1","293.2","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H12 Cl4 Ga S4 Se8 -","- C16 H12 Cl4 Ga S4 Se8 -","- C32 H24 Cl8 Ga2 S8 Se16 -","2","0.5","","Endo, Hisataka; Kawamoto, Tadashi; Mori, Takehiko; Terasaki, Ichiro; Kakiuchi, Toru; Sawa, Hiroshi; Kodani, Mie; Takimiya, Kazuo; Otsubo, Tetsuo","Current-induced metallic state in an organic (EDT-TSF)2GaCl4 conductor.","Journal of the American Chemical Society","2006","128","28","9006","9007","10.1021/ja062277q","","","0.7107","MoKα","","","0.0374","","","","0.1155","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101315","7.29","0.005","30.655","0.004","6.696","0.002","90","","100.42","0.04","90","","1471","1","293.2","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H12 Cl4 Fe S4 Se8 -","- C16 H12 Cl4 Fe S4 Se8 -","- C32 H24 Cl8 Fe2 S8 Se16 -","2","0.5","","Endo, Hisataka; Kawamoto, Tadashi; Mori, Takehiko; Terasaki, Ichiro; Kakiuchi, Toru; Sawa, Hiroshi; Kodani, Mie; Takimiya, Kazuo; Otsubo, Tetsuo","Current-induced metallic state in an organic (EDT-TSF)2GaCl4 conductor.","Journal of the American Chemical Society","2006","128","28","9006","9007","10.1021/ja062277q","","","0.7107","MoKα","","","0.0378","","","","0.1188","","","","","","1.372","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101316","16.949","0.003","10.207","0.002","27.236","0.005","90","","95.64","0.03","90","","4688.8","1.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 N O4 P2 Pd S -","- C57 H55 N O4 P2 Pd S -","- C228 H220 N4 O16 P8 Pd4 S4 -","4","1","","Fujita, Ken-ichi; Yamashita, Makoto; Puschmann, Florian; Alvarez-Falcon, Miguel Martinez; Incarvito, Christopher D; Hartwig, John F","Organometallic chemistry of amidate complexes. accelerating effect of bidentate ligands on the reductive elimination of N-aryl amidates from palladium(II).","Journal of the American Chemical Society","2006","128","28","9044","9045","10.1021/ja062333n","","","0.71073","MoKα","","0.101","0.0489","","","0.0931","0.1053","","","","","","1","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101317","12.597","0.003","10.484","0.002","22.535","0.005","90","","102.56","0.03","90","","2904.9","1","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Fe N O P Pd -","- C32 H40 Fe N O P Pd -","- C128 H160 Fe4 N4 O4 P4 Pd4 -","4","1","","Fujita, Ken-ichi; Yamashita, Makoto; Puschmann, Florian; Alvarez-Falcon, Miguel Martinez; Incarvito, Christopher D; Hartwig, John F","Organometallic chemistry of amidate complexes. accelerating effect of bidentate ligands on the reductive elimination of N-aryl amidates from palladium(II).","Journal of the American Chemical Society","2006","128","28","9044","9045","10.1021/ja062333n","","","0.71073","MoKα","","0.0626","0.0344","","","0.0697","0.0773","","","","","","1.011","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101318","10.044","0.002","12.385","0.003","14.483","0.003","114.4","0.03","98.26","0.03","102.83","0.03","1542.6","0.5","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H42 Fe N O2 P Pd S -","- C32 H42 Fe N O2 P Pd S -","- C64 H84 Fe2 N2 O4 P2 Pd2 S2 -","2","1","","Fujita, Ken-ichi; Yamashita, Makoto; Puschmann, Florian; Alvarez-Falcon, Miguel Martinez; Incarvito, Christopher D; Hartwig, John F","Organometallic chemistry of amidate complexes. accelerating effect of bidentate ligands on the reductive elimination of N-aryl amidates from palladium(II).","Journal of the American Chemical Society","2006","128","28","9044","9045","10.1021/ja062333n","","","0.71073","MoKα","","0.0989","0.044","","","0.0688","0.0809","","","","","","0.956","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101319","9.0464","0.0008","9.7954","0.0008","17.4231","0.0016","82.06","0.02","81.058","0.014","75.71","0.019","1469.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","bis-cyclophane","cis,cis-(4',4"")(5',5"")-bis(pentamethylenedithio)- {9,10-bis(1',3'-dithiol-2'-ylidene)anthracene}","","- C30 H28 S8 -","- C30 H28 S8 -","- C60 H56 S16 -","2","1","","Christensen, Christian A; Batsanov, Andrei S; Bryce, Martin R","Extreme conformational constraints in pi-extended tetrathiafulvalenes: unusual topologies and redox behavior of doubly and triply bridged cyclophanes.","Journal of the American Chemical Society","2006","128","32","10484","10490","10.1021/ja062358m","","","0.71073","MoKα","","0.0626","0.0432","","","0.0887","0.0967","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101320","17.1006","0.0016","12.3124","0.0011","18.1867","0.0016","90","","113.14","0.01","90","","3521.1","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","cis,cis-(4',4"")(5',5"")-bis(pentamethylenedithio)- {9,10-bis(1',3'-dithiol-2'-ylidene)anthracene}, toluene solvate","","- C37 H36 S8 -","- C37 H36 S8 -","- C148 H144 S32 -","4","0.5","","Christensen, Christian A; Batsanov, Andrei S; Bryce, Martin R","Extreme conformational constraints in pi-extended tetrathiafulvalenes: unusual topologies and redox behavior of doubly and triply bridged cyclophanes.","Journal of the American Chemical Society","2006","128","32","10484","10490","10.1021/ja062358m","","","0.71073","MoKα","","0.0492","0.0418","","","0.0969","0.1011","","","","","","1.147","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101321","9.1056","0.0007","19.1969","0.0016","16.1399","0.0011","90","","93.89","0.01","90","","2814.7","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","cis,cis-(4',4"")(5',5"")-bis(tetramethylenedithio)- {9,10-bis(1',3'-dithiol-2'-ylidene)anthracene}","","- C28 H24 S8 -","- C28 H24 S8 -","- C112 H96 S32 -","4","1","","Christensen, Christian A; Batsanov, Andrei S; Bryce, Martin R","Extreme conformational constraints in pi-extended tetrathiafulvalenes: unusual topologies and redox behavior of doubly and triply bridged cyclophanes.","Journal of the American Chemical Society","2006","128","32","10484","10490","10.1021/ja062358m","","","0.71073","MoKα","","0.0498","0.0428","","","0.0973","0.1009","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101322","11.6582","0.0009","16.0938","0.0013","25.285","0.002","90","","97.11","0.01","90","","4707.6","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl4 O6 S8 -","- C44 H42 Cl4 O6 S8 -","- C176 H168 Cl16 O24 S32 -","4","1","","Christensen, Christian A; Batsanov, Andrei S; Bryce, Martin R","Extreme conformational constraints in pi-extended tetrathiafulvalenes: unusual topologies and redox behavior of doubly and triply bridged cyclophanes.","Journal of the American Chemical Society","2006","128","32","10484","10490","10.1021/ja062358m","","","0.71073","MoKα","","0.0547","0.0424","","","0.0968","0.104","","","","","","1.066","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101323","13.782","0.012","12.776","0.011","21.606","0.019","90","","96.037","0.016","90","","3783","6","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29.85 H59.55 Al2 Cl2.15 Cr N S2 -","- C29.85 H59.55 Al2 Cl2.15 Cr N S2 -","- C119.4 H238.2 Al8 Cl8.6 Cr4 N4 S8 -","4","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1176","0.0734","","","0.1659","0.1848","","","","","","1.042","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101324","10.8236","0.0018","29.167","0.005","11.75","0.002","90","","104.261","0.003","90","","3595.1","1","198","2","198","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H43 Al Cl6 Cr N S2 -","- C26.5 H43 Al Cl6 Cr N S2 -","- C106 H172 Al4 Cl24 Cr4 N4 S8 -","4","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.105","0.0684","","","0.1643","0.1875","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101325","7.4228","0.0016","25.919","0.006","16.281","0.003","90","","92.681","0.004","90","","3128.9","1.2","198","2","198","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H39 Al Cl6 Cr N O S2 -","- C20 H39 Al Cl6.01 Cr N O S2 -","- C80 H156 Al4 Cl24.04 Cr4 N4 O4 S8 -","4","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1205","0.0676","","","0.1262","0.1459","","","","","","1.04","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101326","9.467","0.005","11.999","0.007","17.895","0.01","83.573","0.01","81.026","0.01","67.885","0.009","1857.1","1.8","207","2","207","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H30 Al3 Cl12 Cr N S2 -","- C16 H30 Al3 Cl12 Cr N S2 -","- C32 H60 Al6 Cl24 Cr2 N2 S4 -","2","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1278","0.0969","","","0.2271","0.2477","","","","","","1.069","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101327","10.987","0.004","12.816","0.005","13.475","0.005","67.23","0.006","83.158","0.006","66.385","0.006","1601.7","1","208","2","208","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H49 Al Cl3 Cr N S2 -","- C24 H49 Al Cl3 Cr N S2 -","- C48 H98 Al2 Cl6 Cr2 N2 S4 -","2","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1444","0.0727","","","0.1481","0.1799","","","","","","0.911","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101328","11.198","0.007","20.051","0.015","12.262","0.009","90","","115.98","0.03","90","","2475","3","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 Cl2 Cr N O S2 -","- C20 H39 Cl2 Cr N O S2 -","- C80 H156 Cl8 Cr4 N4 O4 S8 -","4","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.1402","0.0642","","","0.1173","0.1422","","","","","","1.012","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101329","8.019","0.003","8.794","0.004","14.224","0.006","79.18","0.03","78.75","0.06","85.58","0.04","965.5","0.7","209","2","209","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Cl Cr N S2 -","- C16 H30 Cl Cr N S2 -","- C32 H60 Cl2 Cr2 N2 S4 -","2","1","","Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.","Journal of the American Chemical Society","2006","128","28","9238","9247","10.1021/ja0623717","","","0.71073","MoKα","","0.061","0.0397","","","0.0671","0.072","","","","","","1.012","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101330","11.115","0.004","13.567","0.005","15.758","0.005","103.462","0.007","92.753","0.007","109.525","0.006","2157.4","1.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31.5 Dy Fe N14.5 O26 -","- C28 H28 Dy Fe N14.93 O26 -","- C56 H56 Dy2 Fe2 N29.86 O52 -","2","1","","Ferbinteanu, Marilena; Kajiwara, Takashi; Choi, Kwang-Yong; Nojiri, Hiroyuki; Nakamoto, Akio; Kojima, Norimichi; Cimpoesu, Fanica; Fujimura, Yuichi; Takaishi, Shinya; Yamashita, Masahiro","A binuclear Fe(III)Dy(III) single molecule magnet. Quantum effects and models.","Journal of the American Chemical Society","2006","128","28","9008","9009","10.1021/ja062399i","","","0.71073","MoKα","","0.0603","0.0518","","","0.1272","0.1315","","","","","","1.137","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101331","10.671","0.0016","12.0211","0.0018","13.823","0.002","78.04","0.003","78.255","0.003","70.89","0.003","1621.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","03038a","","","- C39 H47 N5 -","- C39 H47 N5 -","- C78 H94 N10 -","2","1","","Rosenthal, Joel; Hodgkiss, Justin M; Young, Elizabeth R; Nocera, Daniel G","Spectroscopic determination of proton position in the proton-coupled electron transfer pathways of donor-acceptor supramolecule assemblies.","Journal of the American Chemical Society","2006","128","32","10474","10483","10.1021/ja062430g","","","0.71073","MoKα","","0.0746","0.0516","","","0.1343","0.1533","","","","","","1.028","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101332","10.0768","0.0014","10.4422","0.0007","12.5172","0.0008","109.267","0.002","106.75","0.003","96.752","0.003","1157.17","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 O8 -","- C28 H28 O8 -","- C56 H56 O16 -","2","1","","Gerard, Baudouin; Sangji, Sheharbano; O'Leary, Daniel J; Porco, Jr, John A","Enantioselective photocycloaddition mediated by chiral Brønsted acids: asymmetric synthesis of the rocaglamides.","Journal of the American Chemical Society","2006","128","24","7754","7755","10.1021/ja062621j","","","0.71073","MoKα","","0.0507","0.036","","","0.0934","0.0991","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101333","25.603","0.0013","16.0366","0.001","27.6197","0.0016","90","","99.148","0.002","90","","11196","1.1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C125 H90 Cl6 O8 -","- C125 H90 Cl6 O8 -","- C500 H360 Cl24 O32 -","4","1","","Gerard, Baudouin; Sangji, Sheharbano; O'Leary, Daniel J; Porco, Jr, John A","Enantioselective photocycloaddition mediated by chiral Brønsted acids: asymmetric synthesis of the rocaglamides.","Journal of the American Chemical Society","2006","128","24","7754","7755","10.1021/ja062621j","","","0.71073","MoKα","","0.0912","0.0768","","","0.2166","0.2298","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101334","10.2354","0.0006","18.0628","0.001","16.1878","0.0009","90","","103.189","0.003","90","","2913.9","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C73 H50 O4 -","- C73 H50 O4 -","- C146 H100 O8 -","2","1","","Gerard, Baudouin; Sangji, Sheharbano; O'Leary, Daniel J; Porco, Jr, John A","Enantioselective photocycloaddition mediated by chiral Brønsted acids: asymmetric synthesis of the rocaglamides.","Journal of the American Chemical Society","2006","128","24","7754","7755","10.1021/ja062621j","","","0.71073","MoKα","","0.0506","0.0453","","","0.1207","0.1237","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101335","17.495","0.0018","17.495","0.0018","18.5306","0.0019","90","","90","","90","","5671.8","1","150","2","150","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C74 H98 N24 O22 V10 -","- C74 H16 N24 O22 V10 -","- C148 H32 N48 O44 V20 -","2","0.0625","","Laye, Rebecca H; Wei, Qiang; Mason, Pamela V; Shanmugam, Maheswaran; Teat, Simon J; Brechin, Euan K; Collison, David; McInnes, Eric J L","A highly reduced vanadium(III/IV) polyoxovanadate comprising an octavanadyl square-prism surrounding a dimetallic vanadium(III) fragment.","Journal of the American Chemical Society","2006","128","28","9020","9021","10.1021/ja062723+","","","0.6778","synchrotron","","0.0889","0.0783","","","0.2658","0.2826","","","","","","1.132","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101336","9.918","0.002","13.261","0.003","17.723","0.004","90","","95.05","0.03","90","","2321.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 Pd2 -","- C26 H22 N2 O4 Pd2 -","- C104 H88 N8 O16 Pd8 -","4","1","","Thu, Hung-Yat; Yu, Wing-Yiu; Che, Chi-Ming","Intermolecular amidation of unactivated sp2 and sp2 C-H bonds via palladium-catalyzed cascade C-H activation/nitrene insertion.","Journal of the American Chemical Society","2006","128","28","9048","9049","10.1021/ja062856v","","","0.71073","MoKα","","0.0471","0.0265","","","0.0562","0.0589","","","","","","0.833","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101337","10.356","0.002","17.055","0.003","7.401","0.0015","90","","95.65","0.03","90","","1300.8","0.5","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F3 N2 O -","- C14 H11 F3 N2 O -","- C56 H44 F12 N8 O4 -","4","1","","Thu, Hung-Yat; Yu, Wing-Yiu; Che, Chi-Ming","Intermolecular amidation of unactivated sp2 and sp2 C-H bonds via palladium-catalyzed cascade C-H activation/nitrene insertion.","Journal of the American Chemical Society","2006","128","28","9048","9049","10.1021/ja062856v","","","0.71073","MoKα","","0.0857","0.0589","","","0.1734","0.1868","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101338","11.7556","0.0005","13.8565","0.0006","17.1139","0.0009","90","","106.66","0.001","90","","2670.7","0.2","141","1","141","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H42 I2 N2 O3 U -","- C20 H42 I2 N2 O3 U -","- C80 H168 I8 N8 O12 U4 -","4","0.5","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0187","0.0168","","","0.0424","0.0427","","","","","","1.21","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101339","9.1025","0.0006","17.4883","0.0011","43.339","0.003","90","","90","","90","","6899","0.8","141","1","141","1","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C28 H30 F12 I2 N2 O3 U -","- C28 H30 F12 I2 N2 O3 U -","- C224 H240 F96 I16 N16 O24 U8 -","8","2","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0543","0.0388","","","0.0841","0.0936","","","","","","0.793","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101340","16.6844","0.0006","13.7864","0.0005","18.5403","0.0007","90","","90.311","0.001","90","","4264.5","0.3","141","1","141","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H66 I2 N2 O4 U -","- C40 H66 I2 N2 O4 U -","- C160 H264 I8 N8 O16 U4 -","4","1","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0452","0.0298","","","0.0643","0.0685","","","","","","1.061","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101341","8.2887","0.0007","15.6397","0.0012","9.7391","0.0008","90","","108.495","0.001","90","","1197.3","0.17","141","1","141","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 I2 N4 U -","- C18 H28 I2 N4 U -","- C36 H56 I4 N8 U2 -","2","0.5","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0236","0.0174","","","0.0368","0.0376","","","","","","1.021","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101342","11.7915","0.0014","20.984","0.003","18.416","0.002","90","","100.172","0.002","90","","4485.2","0.9","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 I2 N2 O2 P2 U -","- C44 H48 I2 N2 O2 P2 U -","- C176 H192 I8 N8 O8 P8 U4 -","4","1","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0417","0.026","","","0.0484","0.0522","","","","","","1.164","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101343","23.516","0.003","23.516","","10.6177","0.0014","90","","90","","90","","5871.7","1.1","203","2","203","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C18 H44 I2 N2 O P2 U -","- C18 H14 I2 N2 O P2 U -","- C144 H112 I16 N16 O8 P16 U8 -","8","1","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0449","0.0344","","","0.0753","0.0773","","","","","","1.595","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101344","13.224","0.002","16.179","0.003","15.338","0.003","90","","98.158","0.003","90","","3248.2","1","203","2","203","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Cl2 F6 N2 O8 S2 U -","- C23 H28 Cl2 F6 N2 O8 S2 U -","- C92 H112 Cl8 F24 N8 O32 S8 U4 -","4","1","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0611","0.0309","","","0.0541","0.0604","","","","","","1.096","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101345","3.9686","0.0001","3.9686","","19.3154","0.0006","90","","90","","90","","304.21","0.01","","","298","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- La3 Ni2 O6 -","- La3 Ni2 O6 -","- La6 Ni4 O12 -","2","0.0625","","Poltavets, Viktor V; Lokshin, Konstantin A; Dikmen, Sibel; Croft, Mark; Egami, Takeshi; Greenblatt, Martha","La3Ni2O6: a new double T'-type nickelate with infinite Ni1+/2+O2 layers.","Journal of the American Chemical Society","2006","128","28","9050","9051","10.1021/ja063031o","powder diffraction","neutron","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101346","8.3346","0.0008","8.4671","0.0008","14.5068","0.0014","84.83","0.005","85.483","0.005","68.227","0.004","945.7","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Compound 2A","","","- C20 H33 Mo N O -","- C20 H33 Mo N O -","- C40 H66 Mo2 N2 O2 -","2","1","","Graham, Peter M; Buschhaus, Miriam S A; Legzdins, Peter","Intramolecular C-H activation reactions of molybdenacyclobutanes.","Journal of the American Chemical Society","2006","128","28","9038","9039","10.1021/ja063249a","","","0.71073","MoKα","","0.0239","0.0204","","","0.0525","0.0535","","","","","","1.068","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101347","8.9342","0.0011","13.7757","0.0016","16.5414","0.0008","90","","101.191","0.007","90","","1997.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3C","","","- C21 H33 Mo N O -","- C21 H33 Mo N O -","- C84 H132 Mo4 N4 O4 -","4","1","","Graham, Peter M; Buschhaus, Miriam S A; Legzdins, Peter","Intramolecular C-H activation reactions of molybdenacyclobutanes.","Journal of the American Chemical Society","2006","128","28","9038","9039","10.1021/ja063249a","","","0.71073","MoKα","","0.0416","0.0291","","","0.0667","0.0713","","","","","","1.069","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101348","19.614","0.002","17.1143","0.0017","15.5191","0.0017","90","","118.88","0.004","90","","4561.5","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 5B","","","- C23 H39 Mo N O -","- C23 H39 Mo N O -","- C184 H312 Mo8 N8 O8 -","8","1","","Graham, Peter M; Buschhaus, Miriam S A; Legzdins, Peter","Intramolecular C-H activation reactions of molybdenacyclobutanes.","Journal of the American Chemical Society","2006","128","28","9038","9039","10.1021/ja063249a","","","0.71073","MoKα","","0.0355","0.0253","","","0.0567","0.0591","","","","","","1.021","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101349","10.574","0.002","15.982","0.003","10.753","0.002","90","","92.79","0.03","90","","1815.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 N O8 S -","- C14 H25 N O8 S -","- C56 H100 N4 O32 S4 -","4","1","","Schnermann, Martin J; Romero, F Anthony; Hwang, Inkyu; Nakamaru-Ogiso, Eiko; Yagi, Takao; Boger, Dale L","Total synthesis of piericidin A1 and B1 and key analogues.","Journal of the American Chemical Society","2006","128","36","11799","11807","10.1021/ja0632862","","","0.71073","MoKα","","0.0675","0.0562","","","0.1389","0.1458","","","","","","1.12","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101350","15.341","0.003","8.307","0.0017","15.902","0.003","90","","92.24","0.03","90","","2025","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 N O4 Si -","- C18 H33 N O4 Si -","- C72 H132 N4 O16 Si4 -","4","1","","Schnermann, Martin J; Romero, F Anthony; Hwang, Inkyu; Nakamaru-Ogiso, Eiko; Yagi, Takao; Boger, Dale L","Total synthesis of piericidin A1 and B1 and key analogues.","Journal of the American Chemical Society","2006","128","36","11799","11807","10.1021/ja0632862","","","0.71073","MoKα","","0.0781","0.0653","","","0.1627","0.1706","","","","","","1.156","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101351","5.936","0.0002","10.2325","0.0004","22.8396","0.001","90","","90","","90","","1387.28","0.09","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O2 S -","- C17 H14 O2 S -","- C68 H56 O8 S4 -","4","1","","Wang, Wei; Li, Hao; Wang, Jian; Zu, Liansuo","Enantioselective organocatalytic tandem Michael-Aldol reactions: one-pot synthesis of chiral thiochromenes.","Journal of the American Chemical Society","2006","128","32","10354","10355","10.1021/ja063328m","","","0.71073","MoKα","","0.0464","0.0403","","","0.1116","0.1221","","","","","","1.085","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101352","12.9214","0.0019","17.031","0.002","13.687","0.002","90","","104.194","0.003","90","","2920","0.7","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H35 I2 N3 Ni -","- C27 H35 I2 N3 Ni -","- C108 H140 I8 N12 Ni4 -","4","1","","Jones, Gavin D; Martin, Jason L; McFarland, Chris; Allen, Olivia R; Hall, Ryan E; Haley, Aireal D; Brandon, R Jacob; Konovalova, Tatyana; Desrochers, Patrick J; Pulay, Peter; Vicic, David A","Ligand redox effects in the synthesis, electronic structure, and reactivity of an alkyl-alkyl cross-coupling catalyst.","Journal of the American Chemical Society","2006","128","40","13175","13183","10.1021/ja063334i","","","0.7107","MoKα","","0.0368","0.0319","","","0.0811","0.0849","","","","","","1.076","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101353","24.7394","0.0001","13.3588","0.0006","19.2393","0.0005","90","","114.79","0.002","90","","5772.5","0.3","225","2","225","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl3 N5 O2 -","- C22 H24 Cl3 N5 O2 -","- C176 H192 Cl24 N40 O16 -","8","1","","Lebel, Olivier; Maris, Thierry; Perron, Marie-Eve; Demers, Eric; Wuest, James D","The dark side of crystal engineering: creating glasses from small symmetric molecules that form multiple hydrogen bonds.","Journal of the American Chemical Society","2006","128","32","10372","10373","10.1021/ja063353s","","","0.71073","MoKα","","0.1247","0.0701","","","0.1973","0.2238","","","","","","1.035","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4101354","19.775","0.004","19.775","0.004","29.273","0.007","90","","90","","120","","9914","4","128","2","128","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C69.5 H85.1 Cl1.5 N3 O9 -","- C69.398 H63.5 Cl1.5 N3 O9 -","- C416.388 H381 Cl9 N18 O54 -","6","0.333333","","Jiang, Xuan; Bollinger, John C; Lee, Dongwhan","Two-dimensional electronic conjugation: cooperative folding and fluorescence switching.","Journal of the American Chemical Society","2006","128","36","11732","11733","10.1021/ja063413u","","","0.71073","MoKα","","0.114","0.0671","","","0.1385","0.1652","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101355","25.4387","0.0005","25.4387","0.0005","25.4387","0.0005","90","","90","","90","","16462.1","0.6","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-9","","","- C64 H32 Co4 N8 O17 -","- C64 H32 Co4 N8 O17 -","- C384 H192 Co24 N48 O102 -","6","0.0625","","Ma, Shengqian; Zhou, Hong-Cai","A metal-organic framework with entatic metal centers exhibiting high gas adsorption affinity.","Journal of the American Chemical Society","2006","128","36","11734","11735","10.1021/ja063538z","","","0.71073","MoKα","","0.1233","0.1031","","","0.3066","0.3196","","","","","","1.218","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101356","21.3799","0.0007","24.3158","0.0014","18.4091","0.001","90","","90","","90","","9570.3","0.8","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C90 H124 N12 O26 Ru6 -","- C90 H96 N12 O26 Ru6 -","- C360 H384 N48 O104 Ru24 -","4","1","","Grote, Zacharias; Bonazzi, Simone; Scopelliti, Rosario; Severin, Kay","Bridged dihydroxypyridine ligands for the synthesis of expanded helicates.","Journal of the American Chemical Society","2006","128","32","10382","10383","10.1021/ja0637806","","","0.71073","MoKα","","0.0699","0.0416","","","0.0683","0.0744","","","","","","0.794","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101357","24.471","0.005","14.566","0.003","31.674","0.006","90","","91.08","0.03","90","","11288","4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C90 H154 N12 O38 Ru6 -","- C90 H102 N12 O38 Ru6 -","- C360 H408 N48 O152 Ru24 -","4","0.5","","Grote, Zacharias; Bonazzi, Simone; Scopelliti, Rosario; Severin, Kay","Bridged dihydroxypyridine ligands for the synthesis of expanded helicates.","Journal of the American Chemical Society","2006","128","32","10382","10383","10.1021/ja0637806","","","0.71073","MoKα","","0.1567","0.0868","","","0.1933","0.2397","","","","","","1.091","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101358","25.758","0.002","25.758","0.002","25.758","0.002","90","","90","","90","","17091","2","140","2","140","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C147 H229 N15 O17 Rh6 -","- C147 H174 N15 O17 Rh6 -","- C588 H696 N60 O68 Rh24 -","4","0.333333","","Grote, Zacharias; Bonazzi, Simone; Scopelliti, Rosario; Severin, Kay","Bridged dihydroxypyridine ligands for the synthesis of expanded helicates.","Journal of the American Chemical Society","2006","128","32","10382","10383","10.1021/ja0637806","","","0.7107","MoKα","","0.1697","0.1346","","","0.3297","0.3625","","","","","","1.166","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101359","13.8629","0.0016","13.8629","0.0016","13.8629","0.0016","90","","90","","90","","2664.2","0.5","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Mg0.18 Sc3 Zn17.73 -","- Mg0.1815 Sc3 Zn17.7275 -","- Mg1.452 Sc24 Zn141.82 -","8","0.166667","","Lin, Qisheng; Corbett, John D","The 1/1 and 2/1 approximants in the Sc-Mg-Zn quasicrystal system: triacontahedral clusters as fundamental building blocks.","Journal of the American Chemical Society","2006","128","40","13268","13273","10.1021/ja063897u","","","0.71073","MoKα","","0.032","0.0264","","","0.0564","0.058","","","","","","1.056","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101360","22.412","0.002","22.412","0.002","22.412","0.002","90","","90","","90","","11257.5","1.7","293","2","293","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Mg2.52 Sc11.18 Zn73.61 -","- Mg2.535 Sc11.17 Zn73.612 -","- Mg20.28 Sc89.36 Zn588.896 -","8","0.333333","","Lin, Qisheng; Corbett, John D","The 1/1 and 2/1 approximants in the Sc-Mg-Zn quasicrystal system: triacontahedral clusters as fundamental building blocks.","Journal of the American Chemical Society","2006","128","40","13268","13273","10.1021/ja063897u","","","0.71073","MoKα","","0.1326","0.0663","","","0.1201","0.144","","","","","","1.016","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101361","6.238","0.004","7.844","0.004","18.827","0.012","90","","94.98","0.03","90","","917.7","0.9","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C44 H46 N2 O4 S2 -","2","1","","Shibata, Takanori; Tahara, Yu-ki","Enantioselective intramolecular [2 + 2 + 2] cycloaddition of 1,4-diene-ynes: a new approach to the construction of quaternary carbon stereocenters.","Journal of the American Chemical Society","2006","128","36","11766","11767","10.1021/ja0639160","","","0.71075","MoKα","","","0.1042","","","","0.3045","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101362","22.055","0.005","12.648","0.003","27.807","0.007","90","","98.3576","0.0011","90","","7674","3","123.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H41 Cl2 N2 P Pd S -","- C46 H41 Cl2 N2 P Pd S -","- C368 H328 Cl16 N16 P8 Pd8 S8 -","8","1","","Matano, Yoshihiro; Miyajima, Tooru; Nakabuchi, Takashi; Imahori, Hiroshi; Ochi, Noriaki; Sakaki, Shigeyoshi","Phosphorus-containing hybrid calixphyrins: promising mixed-donor ligands for visible and efficient palladium catalysts.","Journal of the American Chemical Society","2006","128","36","11760","11761","10.1021/ja0640039","","","0.7107","MoKα","","","0.0496","","","","0.1276","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101363","26.188","0.005","10.1923","0.0017","31.765","0.006","90","","112.779","0.0005","90","","7817","2","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H82 Cl4 N4 P2 S2 -","- C92 H84 Cl4 N4 P2 S2 -","- C368 H336 Cl16 N16 P8 S8 -","4","1","","Matano, Yoshihiro; Miyajima, Tooru; Nakabuchi, Takashi; Imahori, Hiroshi; Ochi, Noriaki; Sakaki, Shigeyoshi","Phosphorus-containing hybrid calixphyrins: promising mixed-donor ligands for visible and efficient palladium catalysts.","Journal of the American Chemical Society","2006","128","36","11760","11761","10.1021/ja0640039","","","0.7107","MoKα","","","0.0903","","","","0.1523","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101364","9.7554","0.0013","10.0375","0.0014","19.968","0.003","87.666","0.002","77.183","0.002","85.699","0.002","1900.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H49 Cl2 F4 N2 P Ru -","- C40 H49 Cl2 F4 N2 P Ru -","- C80 H98 Cl4 F8 N4 P2 Ru2 -","2","1","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.1046","0.0642","","","0.1203","0.1289","","","","","","1.32","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101365","15.8715","0.0004","13.4827","0.0004","11.2212","0.0003","90","","90.146","0.001","90","","2401.22","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl2 F4 N2 O Ru -","- C25 H22 Cl2 F4 N2 O Ru -","- C100 H88 Cl8 F16 N8 O4 Ru4 -","4","1","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.0602","0.0353","","","0.0677","0.0717","","","","","","1.174","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101366","15.9798","0.0006","16.9461","0.0006","39.4746","0.0015","90","","98.185","0.001","90","","10580.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl6 N2 O Ru -","- C25 H22 Cl6 N2 O Ru -","- C400 H352 Cl96 N32 O16 Ru16 -","16","4","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.1773","0.1004","","","0.1215","0.1363","","","","","","1.621","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101367","14.8554","0.0006","17.3381","0.0007","19.4448","0.0008","102.681","0.001","97.261","0.001","93.09","0.001","4829.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H58 Cl6 F4 N3 O3 P Ru -","- C45 H58 Cl6 F4 N3 O3 P Ru -","- C180 H232 Cl24 F16 N12 O12 P4 Ru4 -","4","2","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.086","0.0454","","","0.0724","0.0772","","","","","","1.562","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101368","27.2151","0.0008","27.2151","0.0008","10.5174","0.0004","90","","90","","90","","7789.8","0.4","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C42 H36.5 Cl2 F8 N4 O1.25 Ru -","- C42 H36.5 Cl2 F8 N4 O1.25 Ru -","- C336 H292 Cl16 F64 N32 O10 Ru8 -","8","1","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.0771","0.0441","","","0.0685","0.0748","","","","","","0.946","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101369","37.64","0.04","7.498","0.006","14.03","0.01","90","","90","","90","","3960","6","296.1","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C11 H6 Br2 Fe0.5 S5 Se4 -","- C11 H6 Br2 Fe0.5 S5 Se4 -","- C88 H48 Br16 Fe4 S40 Se32 -","8","1","","Hayashi, Toshiki; Xiao, Xunwen; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Fujimoto, Tsutomu; Yasuzuka, Syuma; Yoshino, Harukazu; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko","A metallic (EDT-DSDTFVSDS)2.FeBr4 salt: antiferromagnetic ordering of d spins of FeBr4- ions and anomalous magnetoresistance due to preferential pi-d interaction.","Journal of the American Chemical Society","2006","128","36","11746","11747","10.1021/ja064307v","","","0.7107","MoKα","","","0.057","","","","0.095","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101370","37.766","0.006","7.5021","0.0011","14.043","0.002","90","","90","","90","","3978.7","1","293.1","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C11 H6 Br2 Ga0.5 S5 Se4 -","- C11 H6 Br2 Ga0.5 S5 Se4 -","- C88 H48 Br16 Ga4 S40 Se32 -","8","1","","Hayashi, Toshiki; Xiao, Xunwen; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Fujimoto, Tsutomu; Yasuzuka, Syuma; Yoshino, Harukazu; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko","A metallic (EDT-DSDTFVSDS)2.FeBr4 salt: antiferromagnetic ordering of d spins of FeBr4- ions and anomalous magnetoresistance due to preferential pi-d interaction.","Journal of the American Chemical Society","2006","128","36","11746","11747","10.1021/ja064307v","","","0.7107","MoKα","","","0.054","","","","0.066","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101371","13.177","0.004","18.665","0.006","15.421","0.005","90","","96.982","0.006","90","","3765","2","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pt-B-complex tetrabutylammonium","tetra butylammonium dimethyl-2-dipyridyl-borane bis-phenyl platinum","","- C40 H60 B N3 Pt -","- C40 H60 B N3 Pt -","- C160 H240 B4 N12 Pt4 -","4","1","","Khaskin, Eugene; Zavalij, Peter Y; Vedernikov, Andrei N","Facile arene C-H bond activation and alkane dehydrogenation with anionic LPt(II)Me2- in hydrocarbon-water systems (L = dimethyldi(2-pyridyl)borate).","Journal of the American Chemical Society","2006","128","40","13054","13055","10.1021/ja0643570","","","0.71073","MoKα","","0.0704","0.0383","","","0.079","0.0842","","","","","","1","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101372","11.746","0.002","21.439","0.003","19.87","0.003","90","","101.66","0.02","90","","4900.5","1.3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H78 Al Mg N3 O3 Si2 -","- C44 H78 Al Mg N3 O3 Si2 -","- C176 H312 Al4 Mg4 N12 O12 Si8 -","4","1","","Nembenna, Sharanappa; Roesky, Herbert W; Mandal, Swadhin K; Oswald, Rainer B; Pal, Aritra; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","Soluble molecular compounds with the Mg-O-Al structural motif: a model approach for the fixation of organometallics on a MgO surface.","Journal of the American Chemical Society","2006","128","40","13056","13057","10.1021/ja064460p","","","0.71073","MoKα","","0.0802","0.0394","","","0.0772","0.0855","","","","","","0.848","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101373","16.067","0.002","23.113","0.002","18.001","0.002","90","","102.06","0.02","90","0.02","6537.3","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H104 Al2 Mg N4 O4 -","- C68 H104 Al2 Mg N4 O4 -","- C272 H416 Al8 Mg4 N16 O16 -","4","1","","Nembenna, Sharanappa; Roesky, Herbert W; Mandal, Swadhin K; Oswald, Rainer B; Pal, Aritra; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","Soluble molecular compounds with the Mg-O-Al structural motif: a model approach for the fixation of organometallics on a MgO surface.","Journal of the American Chemical Society","2006","128","40","13056","13057","10.1021/ja064460p","","","1.54178","CuKα","","0.0679","0.0422","","","0.0941","0.1057","","","","","","1.007","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101374","33.05","0.005","17.903","0.002","13.525","0.002","90","0.0005","105.332","0.0007","90","0.0005","7717.8","1.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H6 Cl F36 O7 P2 Rh -","- C19 H6 Cl F36 O7 P2 Rh -","- C152 H48 Cl8 F288 O56 P16 Rh8 -","8","1","","Yanagisawa, Shuichi; Sudo, Tomoko; Noyori, Ryoji; Itami, Kenichiro","Direct C-H arylation of (hetero)arenes with aryl iodides via rhodium catalysis.","Journal of the American Chemical Society","2006","128","36","11748","11749","10.1021/ja064500p","","","0.7107","MoKα","","0.0503","0.0419","","","0.101","0.1075","","","","","","1.105","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101375","10.392","0.002","7.2494","0.0014","24.22","0.005","90","","98.63","0.03","90","","1804","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O -","- C23 H21 N2 O -","- C92 H84 N8 O4 -","4","1","","Wang, Ying; Wang, Hongmei; Liu, Yunqi; Di, Chong-An; Sun, Yanming; Wu, Weiping; Yu, Gui; Zhang, Deqing; Zhu, Daoben","1-Imino nitroxide pyrene for high performance organic field-effect transistors with low operating voltage.","Journal of the American Chemical Society","2006","128","40","13058","13059","10.1021/ja064580x","","","0.71073","MoKα","","0.1745","0.0947","","","0.1968","0.2394","","","","","","1.041","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101376","10.3293","0.0002","25.2058","0.0005","13.1798","0.0003","90","","99.941","0.001","90","","3379.95","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71 H90 B2 Ir2 N14 -","- C71 H90 B2 Ir2 N14 -","- C142 H180 B4 Ir4 N28 -","2","0.5","","Alvarez, Eleuterio; Conejero, Salvador; Paneque, Margarita; Petronilho, Ana; Poveda, Manuel L; Serrano, Oracio; Carmona, Ernesto","Iridium(III)-induced isomerization of 2-substituted pyridines to N-heterocyclic carbenes.","Journal of the American Chemical Society","2006","128","40","13060","13061","10.1021/ja0646592","","","0.71073","MoKα","","0.0219","0.0177","","","0.0403","0.0416","","","","","","1.038","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101377","40.2432","0.0008","10.1628","0.0002","18.6214","0.0004","90","","101.456","0.001","90","","7464.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H43 B Cl2 Ir N7 -","- C39 H43 B Cl2 Ir N7 -","- C312 H344 B8 Cl16 Ir8 N56 -","8","1","","Alvarez, Eleuterio; Conejero, Salvador; Paneque, Margarita; Petronilho, Ana; Poveda, Manuel L; Serrano, Oracio; Carmona, Ernesto","Iridium(III)-induced isomerization of 2-substituted pyridines to N-heterocyclic carbenes.","Journal of the American Chemical Society","2006","128","40","13060","13061","10.1021/ja0646592","","","0.71073","MoKα","","0.0437","0.0296","","","0.0601","0.0649","","","","","","1.084","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101378","8.268","0.0005","9.505","0.0003","20.171","0.001","90","","90","","90","","1585.19","0.13","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br N O2 -","- C17 H18 Br N O2 -","- C68 H72 Br4 N4 O8 -","4","1","","Akiyama, Takahiko; Morita, Hisashi; Fuchibe, Kohei","Chiral Brønsted acid-catalyzed inverse electron-demand aza Diels-Alder reaction.","Journal of the American Chemical Society","2006","128","40","13070","13071","10.1021/ja064676r","","","0.71073","MoKα","","0.047","0.0414","","","0.1227","0.1298","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101379","8.208","0.004","9.538","0.01","18.83","0.06","90","","90","","90","","1474","5","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","","Akiyama, Takahiko; Morita, Hisashi; Fuchibe, Kohei","Chiral Brønsted acid-catalyzed inverse electron-demand aza Diels-Alder reaction.","Journal of the American Chemical Society","2006","128","40","13070","13071","10.1021/ja064676r","","","0.7107","MoKα","","","0.0699","","","","0.1042","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101380","20.858","0.003","21.39","0.003","8.6191","0.0011","90","","90","","90","","3845.4","0.9","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C32 H63 Cl2 N O Os P2 -","- C32 H63 Cl2 N O Os P2 -","- C128 H252 Cl8 N4 O4 Os4 P8 -","4","0.5","","Esteruelas, Miguel A; Fernandez-Alvarez, Francisco J; Oñate, Enrique","Stabilization of NH tautomers of quinolines by osmium and ruthenium.","Journal of the American Chemical Society","2006","128","40","13044","13045","10.1021/ja064979l","","","0.71073","MoKα","","0.0551","0.0412","","","0.1016","0.1054","","","","","","1.106","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101381","12.2063","0.0005","12.9403","0.0006","20.1081","0.0009","90","","97.084","0.001","90","","3151.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 Cl2 N P2 Ru -","- C28 H51 Cl2 N P2 Ru -","- C112 H204 Cl8 N4 P8 Ru4 -","4","1","","Esteruelas, Miguel A; Fernandez-Alvarez, Francisco J; Oñate, Enrique","Stabilization of NH tautomers of quinolines by osmium and ruthenium.","Journal of the American Chemical Society","2006","128","40","13044","13045","10.1021/ja064979l","","","","MoKα","","0.0577","0.045","","","0.0975","0.1037","","","","","","1.017","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101382","12.1618","0.0018","12.818","0.002","18.106","0.003","90","","102.234","0.002","90","","2758.3","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Ir N2 O2 S -","- C31 H35 Ir N2 O2 S -","- C124 H140 Ir4 N8 O8 S4 -","4","1","","Heiden, Zachariah M; Rauchfuss, Thomas B","Proton-induced lewis acidity of unsaturated iridium amides.","Journal of the American Chemical Society","2006","128","40","13048","13049","10.1021/ja0653831","","","0.71073","MoKα","","0.0731","0.0342","","","0.0633","0.0721","","","","","","0.954","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101383","21.585","0.005","25.611","0.006","15.358","0.004","90","","103.43","0.004","90","","8258","3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73 H75 B F24 Ir N2 O5.5 S -","- C72.9999 H75 B F23.9997 Ir N2 O5.5 S -","- C292 H300 B4 F95.9988 Ir4 N8 O22 S4 -","4","1","","Heiden, Zachariah M; Rauchfuss, Thomas B","Proton-induced lewis acidity of unsaturated iridium amides.","Journal of the American Chemical Society","2006","128","40","13048","13049","10.1021/ja0653831","","","0.71073","MoKα","","0.0907","0.0499","","","0.1151","0.131","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101384","9.723","0.002","10.737","0.003","21.644","0.006","100.49","0.03","90.74","0.03","98.62","0.03","2194.7","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 Cl2 N2 O3 Ru -","- C51 H45 Cl2 N2 O3 Ru -","- C102 H90 Cl4 N4 O6 Ru2 -","2","1","","Samec, Joseph S M; Ell, Alida H; Aberg, Jenny B; Privalov, Timofei; Eriksson, Lars; Bäckvall, Jan-E","Mechanistic study of hydrogen transfer to imines from a hydroxycyclopentadienyl ruthenium hydride. Experimental support for a mechanism involving coordination of imine to ruthenium prior to hydrogen transfer.","Journal of the American Chemical Society","2006","128","44","14293","14305","10.1021/ja061494o","","","0.71073","MoKα","","0.1021","0.0752","","","0.2036","0.2281","","","","","","1.442","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101385","23.9275","0.0007","14.7281","0.0005","25.8285","0.0007","90.033","0.003","91.522","0.002","90.048","0.003","9098.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C102 H90 Cl4 N4 O6 Ru2 -","- C102 H90 Cl4 N4 O6 Ru2 -","- C408 H360 Cl16 N16 O24 Ru8 -","4","1","","Samec, Joseph S M; Ell, Alida H; Aberg, Jenny B; Privalov, Timofei; Eriksson, Lars; Bäckvall, Jan-E","Mechanistic study of hydrogen transfer to imines from a hydroxycyclopentadienyl ruthenium hydride. Experimental support for a mechanism involving coordination of imine to ruthenium prior to hydrogen transfer.","Journal of the American Chemical Society","2006","128","44","14293","14305","10.1021/ja061494o","","","0.71073","MoKα","","0.1167","0.0583","","","0.1562","0.1839","","","","","","1.002","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101386","11.8569","0.0007","19.6421","0.0012","27.9528","0.0018","90","","90","","90","","6510.1","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H34 N3 O3 P -","- C37 H34 N3 O3 P -","- C296 H272 N24 O24 P8 -","8","2","","Liu, Yan; Sandoval, Christian A; Yamaguchi, Yoshiki; Zhang, Xue; Wang, Zheng; Kato, Koichi; Ding, Kuiling","Hydrogen bonding makes a difference in the rhodium-catalyzed enantioselective hydrogenation using monodentate phosphoramidites.","Journal of the American Chemical Society","2006","128","44","14212","14213","10.1021/ja063350f","","","0.71073","MoKα","","0.156","0.0535","","","0.0979","0.1222","","","","","","0.767","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101387","10.918","0.002","16.9","0.004","29.431","0.006","88.622","0.006","83.727","0.005","86.822","0.006","5389","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H39.5 Co K N5.5 O4 -","- C20.0095 H39.5 Co K N5.5 O4 -","- C160.076 H316 Co8 K8 N44 O32 -","8","4","","Lucas, Robie L; Zart, Matthew K; Mukherjee, Jhumpa; Murkerjee, Jhumpa; Sorrell, Thomas N; Powell, Douglas R; Borovik, A S","A modular approach toward regulating the secondary coordination sphere of metal ions: differential dioxygen activation assisted by intramolecular hydrogen bonds.","Journal of the American Chemical Society","2006","128","48","15476","15489","10.1021/ja063935+","","","0.71073","MoKα","","0.1712","0.09","","","0.2258","0.2661","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101388","21.116","0.004","10.467","0.002","26.338","0.005","90","","90","","90","","5821.3","1.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H47 Co K N6 O4 -","- C19 H37 Co K N6 O3 -","- C152 H296 Co8 K8 N48 O24 -","8","2","","Lucas, Robie L; Zart, Matthew K; Mukherjee, Jhumpa; Murkerjee, Jhumpa; Sorrell, Thomas N; Powell, Douglas R; Borovik, A S","A modular approach toward regulating the secondary coordination sphere of metal ions: differential dioxygen activation assisted by intramolecular hydrogen bonds.","Journal of the American Chemical Society","2006","128","48","15476","15489","10.1021/ja063935+","","","0.71073","MoKα","","0.0655","0.0602","","","0.1486","0.153","","","","","","1.012","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101389","8.568","0.005","10.355","0.006","14.392","0.008","69.514","0.012","84.273","0.012","84.687","0.01","1187.9","1.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Co K N5 O4 -","- C18 H34 Co K N5 O4 -","- C36 H68 Co2 K2 N10 O8 -","2","1","","Lucas, Robie L; Zart, Matthew K; Mukherjee, Jhumpa; Murkerjee, Jhumpa; Sorrell, Thomas N; Powell, Douglas R; Borovik, A S","A modular approach toward regulating the secondary coordination sphere of metal ions: differential dioxygen activation assisted by intramolecular hydrogen bonds.","Journal of the American Chemical Society","2006","128","48","15476","15489","10.1021/ja063935+","","","0.71073","MoKα","","0.1549","0.1214","","","0.3004","0.3221","","","","","","1.009","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101390","11.738","0.003","31.298","0.008","12.271","0.004","90","","116.696","0.005","90","","4028","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H77 Co N7 O4 -","- C32 H67 Co N7 O3 -","- C128 H268 Co4 N28 O12 -","4","1","","Lucas, Robie L; Zart, Matthew K; Mukherjee, Jhumpa; Murkerjee, Jhumpa; Sorrell, Thomas N; Powell, Douglas R; Borovik, A S","A modular approach toward regulating the secondary coordination sphere of metal ions: differential dioxygen activation assisted by intramolecular hydrogen bonds.","Journal of the American Chemical Society","2006","128","48","15476","15489","10.1021/ja063935+","","","0.71073","MoKα","","0.0994","0.0783","","","0.1967","0.2064","","","","","","1.075","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101391","10.2288","0.0004","16.9751","0.0006","30.7998","0.0011","76.139","0.001","80.669","0.002","78.504","0.002","5051.1","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H144 Cl12 N4 Ni O12 Re3 -","- C70 H144 Cl12 N4 Ni O12 Re3 -","- C140 H288 Cl24 N8 Ni2 O24 Re6 -","2","1","","Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Wernsdorfer, Wolfgang; Julve, Miguel; Lloret, Francesc; Faus, Juan","A Heterotetranuclear [NiIIReIV3] single-molecule magnet.","Journal of the American Chemical Society","2006","128","44","14218","14219","10.1021/ja0643873","","","0.71073","MoKα","","0.0949","0.0508","","","0.1352","0.1731","","","","","","0.963","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101392","5.8809","0.0003","16.6533","0.001","16.5795","0.001","90","","99.4","0.001","90","","1601.93","0.16","243","2","243","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Pastine, Stefan J; Gribkov, Denis V; Sames, Dalibor","sp3 C-H bond arylation directed by amidine protecting group: alpha-arylation of pyrrolidines and piperidines.","Journal of the American Chemical Society","2006","128","44","14220","14221","10.1021/ja064481j","","","0.71073","MoKα","","0.0689","0.0418","","","0.1333","0.1543","","","","","","1.036","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101393","12.4027","0.0007","10.128","0.0006","16.9164","0.0011","90","","92.727","0.005","90","","2122.5","0.2","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 B F4 Fe N4 S -","- C17 H31 B F4 Fe N4 S -","- C68 H124 B4 F16 Fe4 N16 S4 -","4","1","","Krishnamurthy, Divya; Kasper, Gary D; Namuswe, Frances; Kerber, William D; Narducci Sarjeant, Amy A; Moënne-Loccoz, Pierre; Goldberg, David P","A low-spin alkylperoxo-iron(III) complex with weak Fe-O and O-O bonds: implications for the mechanism of superoxide reductase.","Journal of the American Chemical Society","2006","128","44","14222","14223","10.1021/ja064525o","","","0.71073","MoKα","","0.0781","0.0707","","","0.1023","0.1052","","","","","","1.253","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101394","13.3964","0.0008","6.5966","0.0004","14.2897","0.0009","90","","108.118","0.006","90","","1200.18","0.13","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Br2 Fe2 O10 Te4 -","- Br2 Fe2 O10 Te4 -","- Br8 Fe8 O40 Te16 -","4","1","","Becker, Richard; Johnsson, Mats; Kremer, Reinhard K; Klauss, Hans-Henning; Lemmens, Peter","Crystal structure and magnetic properties of FeTe2O5X (X=Cl, Br): a frustrated spin cluster compound with a new Te(IV) coordination polyhedron.","Journal of the American Chemical Society","2006","128","48","15469","15475","10.1021/ja064738d","","","0.71073","MoKα","","0.0533","0.0317","","","0.0582","0.0617","","","","","","0.924","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101395","13.2722","0.0008","6.5965","0.0004","14.2351","0.0009","90","","108.02","0.005","90","","1185.15","0.13","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Br Cl Fe2 O10 Te4 -","- Br Cl Fe2 O10 Te4 -","- Br4 Cl4 Fe8 O40 Te16 -","4","1","","Becker, Richard; Johnsson, Mats; Kremer, Reinhard K; Klauss, Hans-Henning; Lemmens, Peter","Crystal structure and magnetic properties of FeTe2O5X (X=Cl, Br): a frustrated spin cluster compound with a new Te(IV) coordination polyhedron.","Journal of the American Chemical Society","2006","128","48","15469","15475","10.1021/ja064738d","","","0.71073","MoKα","","0.0576","0.0309","","","0.05","0.0546","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101396","13.1526","0.0009","6.595","0.0004","14.1454","0.0009","90","","108.771","0.006","90","","1161.73","0.13","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl2 Fe2 O10 Te4 -","- Cl2 Fe2 O10 Te4 -","- Cl8 Fe8 O40 Te16 -","4","1","","Becker, Richard; Johnsson, Mats; Kremer, Reinhard K; Klauss, Hans-Henning; Lemmens, Peter","Crystal structure and magnetic properties of FeTe2O5X (X=Cl, Br): a frustrated spin cluster compound with a new Te(IV) coordination polyhedron.","Journal of the American Chemical Society","2006","128","48","15469","15475","10.1021/ja064738d","","","0.71073","MoKα","","0.0596","0.041","","","0.0979","0.1046","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101397","13.651","0.003","14.36","0.003","21.424","0.005","90","","104.829","0.005","90","","4059.7","1.6","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","x-ray","0.68889","SrKα","","0.0702","0.0514","","","0.1408","0.1491","","","","","","1.065","","","","has coordinates,has disorder","178759","2020-10-21","18:00:00",""
"4101398","13.54","0.03","14.31","0.02","21.24","0.05","90","","104.04","0.13","90","","3990","15","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","x-ray","0.68889","SrKα","","0.0564","0.0467","","","0.1299","0.1334","","","","","","1.175","","","","has coordinates,has disorder","295947","2024-11-15","22:25:06",""
"4101399","13.603","0.0006","14.2882","0.0006","21.3771","0.0009","90","","104.791","0.002","90","","4017.2","0.3","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","x-ray","0.6888","SrKα","","0.0564","0.048","","","0.1305","0.1337","","","","","","1.168","","","","has coordinates,has disorder","295947","2024-11-15","22:25:06",""
"4101400","13.6044","0.0008","14.3066","0.0009","21.3763","0.0013","90","","104.851","0.001","90","","4021.5","0.4","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","","0.71073","MoKα","","0.1121","0.103","","","0.1812","0.185","","","","","","1.461","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101401","13.5538","0.0008","14.2455","0.0009","21.335","0.0013","90","","104.836","0.001","90","","3982","0.4","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H3 Cl2 La S2 -","- C79 H3 Cl2 La S2 -","- C316 H12 Cl8 La4 S8 -","4","1","","Wakahara, Takatsugu; Nikawa, Hidefumi; Kikuchi, Takashi; Nakahodo, Tsukasa; Rahman, G M Aminur; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Yamamoto, Kazunori; Mizorogi, Naomi; Slanina, Zdenek; Nagase, Shigeru","La@C72 having a non-IPR carbon cage.","Journal of the American Chemical Society","2006","128","44","14228","14229","10.1021/ja064751y","","","0.71073","MoKα","","0.089","0.0789","","","0.1443","0.1474","","","","","","1.392","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101402","6.44","0.0007","6.44","0.0007","6.44","0.0007","90","","90","","90","","267.09","0.05","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","lead antimony telluride (3.82/0.12/4)","","- Pb3.82 Sb0.12 Te4 -","- Pb3.818 Sb0.1212 Te4 -","- Pb3.818 Sb0.1212 Te4 -","1","0.0208333","","Poudeu, Pierre F P; D'Angelo, Jonathan; Kong, Huijun; Downey, Adam; Short, Jarrod L; Pcionek, Robert; Hogan, Timothy P; Uher, Ctirad; Kanatzidis, Mercouri G","Nanostructures versus solid solutions: low lattice thermal conductivity and enhanced thermoelectric figure of merit in Pb9.6Sb0.2Te10-xSex bulk materials.","Journal of the American Chemical Society","2006","128","44","14347","14355","10.1021/ja0647811","","","0.71073","MoKα","","0.0213","0.0187","","","0.0351","0.0362","","","","","","0.935","","","","has coordinates","213973","2020-10-21","18:00:00",""
"4101403","18.9017","0.0009","11.5733","0.0005","33.382","0.0015","90","","103.584","0.001","90","","7098.2","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 B2 Cu2 F8 N4 O4 -","- C34 H34 B2 Cu2 F8 N4 O4 -","- C272 H272 B16 Cu16 F64 N32 O32 -","8","2","","Lim, Mi Hee; Wong, Brian A; Pitcock, Jr, William H; Mokshagundam, Deepa; Baik, Mu-Hyun; Lippard, Stephen J","Direct nitric oxide detection in aqueous solution by copper(II) fluorescein complexes.","Journal of the American Chemical Society","2006","128","44","14364","14373","10.1021/ja064955e","","","0.71073","MoKα","","0.1072","0.0685","","","0.1407","0.1606","","","","","","1.037","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101404","8.1902","0.0008","11.6112","0.0011","18.2776","0.0018","90","","95.235","0.002","90","","1730.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B2 Cu F8 N4 O4 -","- C34 H28 B2 Cu F8 N4 O4 -","- C68 H56 B4 Cu2 F16 N8 O8 -","2","0.5","","Lim, Mi Hee; Wong, Brian A; Pitcock, Jr, William H; Mokshagundam, Deepa; Baik, Mu-Hyun; Lippard, Stephen J","Direct nitric oxide detection in aqueous solution by copper(II) fluorescein complexes.","Journal of the American Chemical Society","2006","128","44","14364","14373","10.1021/ja064955e","","","0.71073","MoKα","","0.0618","0.0493","","","0.1276","0.1355","","","","","","1.071","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101405","7.8885","0.0014","23.735","0.004","27.98","0.005","90","","90","","90","","5238.9","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-N-1-(pentafluorophenyl)ethylammonium (+)-2,3-dibenzoyl-D-tartrate","","- C26 H20 F5 N O8 -","- C26 H20 F5 N O8 -","- C208 H160 F40 N8 O64 -","8","2","","Gorske, Benjamin C; Blackwell, Helen E","Tuning peptoid secondary structure with pentafluoroaromatic functionality: a new design paradigm for the construction of discretely folded peptoid structures.","Journal of the American Chemical Society","2006","128","44","14378","14387","10.1021/ja065248o","","","0.71073","MoKα","","0.1265","0.0729","","","0.174","0.2022","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101406","11.489","0.0002","15.318","0.0004","15.526","0.0004","90","","97.331","0.0009","90","","2710.06","0.11","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H49 Cl P2 Ru -","- C24 H49 Cl P2 Ru -","- C96 H196 Cl4 P8 Ru4 -","4","1","","Kuznetsov, Vladimir F; Abdur-Rashid, Kamaluddin; Lough, Alan J; Gusev, Dmitry G","Carbene vs olefin products of C-H activation on ruthenium via competing alpha- and beta-H elimination.","Journal of the American Chemical Society","2006","128","44","14388","14396","10.1021/ja065249g","","","0.71073","MoKα","","0.0413","0.033","","","0.0783","0.083","","","","","","1.041","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4101407","11.516","0.0002","15.5247","0.0003","15.4937","0.0003","90","","97.595","0.001","90","","2745.7","0.09","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H51 Cl P2 Ru -","- C24 H51 Cl P2 Ru -","- C96 H204 Cl4 P8 Ru4 -","4","1","","Kuznetsov, Vladimir F; Abdur-Rashid, Kamaluddin; Lough, Alan J; Gusev, Dmitry G","Carbene vs olefin products of C-H activation on ruthenium via competing alpha- and beta-H elimination.","Journal of the American Chemical Society","2006","128","44","14388","14396","10.1021/ja065249g","","","0.71073","MoKα","","0.0431","0.0329","","","0.0773","0.0828","","","","","","1.049","","","","has coordinates,has disorder","209531","2020-10-21","18:00:00",""
"4101408","12.8009","0.0002","13.543","0.0002","15.061","0.0002","98.874","0.001","107.448","0.001","90.431","0.001","2457.05","0.06","150","1","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H43 Cl N2 P2 Ru -","- C19 H43 Cl N2 P2 Ru -","- C76 H172 Cl4 N8 P8 Ru4 -","4","2","","Kuznetsov, Vladimir F; Abdur-Rashid, Kamaluddin; Lough, Alan J; Gusev, Dmitry G","Carbene vs olefin products of C-H activation on ruthenium via competing alpha- and beta-H elimination.","Journal of the American Chemical Society","2006","128","44","14388","14396","10.1021/ja065249g","","","0.71073","MoKα","","0.0411","0.0338","","","0.0805","0.0847","","","","","","1.054","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4101409","12.075","0.004","19.235","0.006","18.72","0.006","90","","92.72","0.04","90","","4343","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 Ge12.5 N5 O30 -","- C13 Ge12.5 N5 O30 -","- C52 Ge50 N20 O120 -","4","1","","Christensen, Kirsten E; Shi, Lei; Conradsson, Tony; Ren, Tie-zhen; Dadachov, Mike S; Zou, Xiaodong","Design of open-framework germanates by combining different building units.","Journal of the American Chemical Society","2006","128","44","14238","14239","10.1021/ja065403z","","","0.71073","MoKα","","0.0951","0.0479","","","0.0816","0.0901","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101410","11.9831","0.0007","20.1886","0.0012","22.2361","0.0014","88.24","0.002","89.308","0.003","90.352","0.002","5376.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38.4 Ge53.9 N13.3 O142.6 -","- C38.66 Ge53.908 N13.44 O139.846 -","- C38.66 Ge53.908 N13.44 O139.846 -","1","0.5","","Christensen, Kirsten E; Shi, Lei; Conradsson, Tony; Ren, Tie-zhen; Dadachov, Mike S; Zou, Xiaodong","Design of open-framework germanates by combining different building units.","Journal of the American Chemical Society","2006","128","44","14238","14239","10.1021/ja065403z","","x-ray","0.907","synchrotron","","0.1093","0.0788","","","0.2153","0.2413","","","","","","1.05","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101411","10.556","0.003","23.464","0.007","6.581","0.002","90","","90","","90","","1629.9","0.9","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H16 Br N O3 -","- C18 H16 Br N O3 -","- C72 H64 Br4 N4 O12 -","4","1","","Dong, Zhenzhen; Karpowicz, Jr, Richard J; Bai, Shi; Yap, Glenn P A; Fox, Joseph M","Control of absolute helicity in single-stranded abiotic metallofoldamers.","Journal of the American Chemical Society","2006","128","44","14242","14243","10.1021/ja065721y","","","0.71073","MoKα","","0.0378","0.0355","","","0.0865","0.0881","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101412","14.646","0.002","14.646","0.002","32.517","0.007","90","","90","","90","","6975","2","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C78 H90 N6 Ni O8 -","- C78 H90 N6 Ni O8 -","- C312 H360 N24 Ni4 O32 -","4","0.5","","Dong, Zhenzhen; Karpowicz, Jr, Richard J; Bai, Shi; Yap, Glenn P A; Fox, Joseph M","Control of absolute helicity in single-stranded abiotic metallofoldamers.","Journal of the American Chemical Society","2006","128","44","14242","14243","10.1021/ja065721y","","","0.71073","MoKα","","0.1106","0.0834","","","0.2229","0.2493","","","","","","1.028","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101413","14.755","0.002","14.755","0.002","32.076","0.006","90","","90","","90","","6983","1.9","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C80 H90 N6 Ni O12 -","- C80 H90 N6 Ni O12 -","- C320 H360 N24 Ni4 O48 -","4","0.5","","Dong, Zhenzhen; Karpowicz, Jr, Richard J; Bai, Shi; Yap, Glenn P A; Fox, Joseph M","Control of absolute helicity in single-stranded abiotic metallofoldamers.","Journal of the American Chemical Society","2006","128","44","14242","14243","10.1021/ja065721y","","","0.71073","MoKα","","0.0743","0.0564","","","0.1508","0.1796","","","","","","1.023","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101414","15.8737","","19.9906","","30.4654","","90","","90.2212","","90","","9667.35","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","?","- C144 Cr24 Cs8 O304 Si4 W48 -","- C144 Cr24 Cs8 O304 Si4 W48 -","","","","Jiang, Chunjie; Lesbani, Aldes; Kawamoto, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka","Channel-selective independent sorption and collection of hydrophilic and hydrophobic molecules by Cs2[Cr3O(OOCC2H5)6(H2O)3]2[alpha-SiW12O40] ionic crystal.","Journal of the American Chemical Society","2006","128","44","14240","14241","10.1021/ja065732r","","","","","","","","","","","","","","","","","","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101415","13.0106","0.0009","13.7993","0.001","14.1006","0.001","73.977","0.001","78.881","0.001","63.853","0.001","2176.8","0.3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H28 Cl4 F4 N4 O5 S2 -","- C45 H30 Cl4 F4 N4 O5 S2 -","- C90 H60 Cl8 F8 N8 O10 S4 -","2","1","","Nolan, Elizabeth M; Ryu, Jubin W; Jaworski, Jacek; Feazell, Rodney P; Sheng, Morgan; Lippard, Stephen J","Zinspy sensors with enhanced dynamic range for imaging neuronal cell zinc uptake and mobilization.","Journal of the American Chemical Society","2006","128","48","15517","15528","10.1021/ja065759a","","","0.71073","MoKα","","0.0597","0.0554","","","0.1457","0.1503","","","","","","1.008","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101416","10.8605","0.0008","13.0832","0.001","17.4505","0.0013","79.564","0.001","72.575","0.001","79.716","0.001","2306.1","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H68 Cl2 F12 N8 O17 S8 Zn4 -","- C81 H68 Cl2 F12 N8 O17 S8 Zn4 -","- C81 H68 Cl2 F12 N8 O17 S8 Zn4 -","1","0.5","","Nolan, Elizabeth M; Ryu, Jubin W; Jaworski, Jacek; Feazell, Rodney P; Sheng, Morgan; Lippard, Stephen J","Zinspy sensors with enhanced dynamic range for imaging neuronal cell zinc uptake and mobilization.","Journal of the American Chemical Society","2006","128","48","15517","15528","10.1021/ja065759a","","","0.71073","MoKα","","0.0677","0.0547","","","0.1498","0.1597","","","","","","1.053","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101417","10.1101","0.0007","15.761","0.0011","13.0036","0.0009","90","","100.8","0.001","90","","2035.4","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 B2 Cu2 F8.19 N4 O4 S2 -","- C38 H42 B2 Cu2 F8 N4 O4 S2 -","- C76 H84 B4 Cu4 F16 N8 O8 S4 -","2","0.5","","Nolan, Elizabeth M; Ryu, Jubin W; Jaworski, Jacek; Feazell, Rodney P; Sheng, Morgan; Lippard, Stephen J","Zinspy sensors with enhanced dynamic range for imaging neuronal cell zinc uptake and mobilization.","Journal of the American Chemical Society","2006","128","48","15517","15528","10.1021/ja065759a","","","0.71073","MoKα","","0.0436","0.0414","","","0.1112","0.1133","","","","","","1.054","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101418","10.4914","0.0014","12.8272","0.0017","13.8975","0.0018","76.451","0.002","80.45","0.002","87.137","0.002","1792.9","0.4","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H60 Lu2 -","- C40 H60 Lu2 -","- C80 H120 Lu4 -","2","1","","Evans, William J; Champagne, Timothy M; Ziller, Joseph W","Organolutetium vinyl and tuck-over complexes via C-H bond activation.","Journal of the American Chemical Society","2006","128","44","14270","14271","10.1021/ja065788l","","","0.71073","MoKα","","0.0325","0.0232","","","0.0587","0.0637","","","","","","1.049","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101419","8.606","0.004","9.714","0.004","16.544","0.007","83.991","0.007","89.722","0.007","73.047","0.007","1315.2","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H43 Lu -","- C30 H43 Lu -","- C60 H86 Lu2 -","2","1","","Evans, William J; Champagne, Timothy M; Ziller, Joseph W","Organolutetium vinyl and tuck-over complexes via C-H bond activation.","Journal of the American Chemical Society","2006","128","44","14270","14271","10.1021/ja065788l","","","0.71073","MoKα","","0.0254","0.0237","","","0.0581","0.0591","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4101420","14.135","0.003","15.099","0.003","16.702","0.003","65.97","0.004","72.914","0.004","81.375","0.004","3110.2","1","163","2","163","2","","","","","","","","7","P -1","-P 1","2","1-dimesitylboron-8-trimethylammoniummethane-naphthalenediyl - triflate","","","- C33 H39 B F3 N O3 S -","- C33 H39 B F3 N O3 S -","- C132 H156 B4 F12 N4 O12 S4 -","4","2","","Chiu, Ching-Wen; Gabbaï, François P","Fluoride ion capture from water with a cationic borane.","Journal of the American Chemical Society","2006","128","44","14248","14249","10.1021/ja0658463","","","0.71073","MoKα","","0.1535","0.0765","","","0.1376","0.1544","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101421","8.4633","0.001","17.444","0.002","17.727","0.002","90","","90","","90","","2617","0.5","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-dimesitylfluoroborate- 8-trimethylammoniummethane-naphthalenediyl","","","- C32 H39 B F N -","- C32 H39 B F N -","- C128 H156 B4 F4 N4 -","4","1","","Chiu, Ching-Wen; Gabbaï, François P","Fluoride ion capture from water with a cationic borane.","Journal of the American Chemical Society","2006","128","44","14248","14249","10.1021/ja0658463","","","0.71073","MoKα","","0.1049","0.0648","","","0.119","0.1292","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101422","16.908","0.003","10.789","0.002","18.933","0.004","90","","100.75","0.03","90","","3393.2","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H56 Ir N P2 -","- C31 H56 Ir N P2 -","- C124 H224 Ir4 N4 P8 -","4","1","","Ben-Ari, Eyal; Leitus, Gregory; Shimon, Linda J W; Milstein, David","Metal-ligand cooperation in C-H and H2 activation by an electron-rich PNP Ir(I) system: facile ligand dearomatization-aromatization as key steps.","Journal of the American Chemical Society","2006","128","48","15390","15391","10.1021/ja066411i","","","0.71073","MoKα","","0.0494","0.0362","","","0.0968","0.1023","","","","","","1.077","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101423","10.725","0.002","13.444","0.003","20.495","0.004","90","","103.22","0.03","90","","2876.8","1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 Ir N P2 -","- C29 H48 Ir N P2 -","- C116 H192 Ir4 N4 P8 -","4","1","","Ben-Ari, Eyal; Leitus, Gregory; Shimon, Linda J W; Milstein, David","Metal-ligand cooperation in C-H and H2 activation by an electron-rich PNP Ir(I) system: facile ligand dearomatization-aromatization as key steps.","Journal of the American Chemical Society","2006","128","48","15390","15391","10.1021/ja066411i","","","0.71073","MoKα","","0.0463","0.0388","","","0.1012","0.1065","","","","","","1.048","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101424","10.782","0.002","13.335","0.003","20.62","0.004","90","","103.4","0.03","90","","2884","1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H50 Ir N P2 -","- C29 H50 Ir N P2 -","- C116 H200 Ir4 N4 P8 -","4","1","","Ben-Ari, Eyal; Leitus, Gregory; Shimon, Linda J W; Milstein, David","Metal-ligand cooperation in C-H and H2 activation by an electron-rich PNP Ir(I) system: facile ligand dearomatization-aromatization as key steps.","Journal of the American Chemical Society","2006","128","48","15390","15391","10.1021/ja066411i","","","0.71073","MoKα","","0.0495","0.0371","","","0.0904","0.097","","","","","","1.033","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101425","16.9939","0.0004","18.6105","0.0004","20.5133","0.0004","90","","106.347","0.001","90","","6225.4","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62.65 H47.3 Au2 Cl5.3 F6 N2 O4 P2 -","- C62.65 H47.3 Au2 Cl5.3 F6 N2 O4 P2 -","- C250.6 H189.2 Au8 Cl21.2 F24 N8 O16 P8 -","4","1","","Wheaton, Craig A; Eisler, Dana J; Jennings, Michael C; Puddephatt, Richard J","Self-assembly of coordination polymers: evidence for dynamic exchange between oligomers in solution and the isolation of a homochiral decagold(I) oligomer.","Journal of the American Chemical Society","2006","128","48","15370","15371","10.1021/ja066450u","","","0.71073","MoKα","","0.0676","0.0517","","","0.1327","0.1425","","","","","","1.097","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101426","14.9319","0.0003","16.5595","0.0003","27.0293","0.0005","90","","90","","90","","6683.4","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H56 Au2 F6 N2 O7 P2 -","- C66 H56 Au2 F6 N2 O7 P2 -","- C264 H224 Au8 F24 N8 O28 P8 -","4","1","","Wheaton, Craig A; Eisler, Dana J; Jennings, Michael C; Puddephatt, Richard J","Self-assembly of coordination polymers: evidence for dynamic exchange between oligomers in solution and the isolation of a homochiral decagold(I) oligomer.","Journal of the American Chemical Society","2006","128","48","15370","15371","10.1021/ja066450u","","","0.71073","MoKα","","0.0922","0.0719","","","0.1748","0.1867","","","","","","1.029","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101427","36.405","0.005","36.405","0.005","49.917","0.01","90","","90","","120","","57294","16","150","2","150","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C319.5 H235 Au10 Cl15 F30 N12 O20 P10 -","- C292 H220 Au10 N12 P10 -","- C1752 H1320 Au60 N72 P60 -","6","1","","Wheaton, Craig A; Eisler, Dana J; Jennings, Michael C; Puddephatt, Richard J","Self-assembly of coordination polymers: evidence for dynamic exchange between oligomers in solution and the isolation of a homochiral decagold(I) oligomer.","Journal of the American Chemical Society","2006","128","48","15370","15371","10.1021/ja066450u","","","0.71073","MoKα","","0.1032","0.0808","","","0.2112","0.2271","","","","","","0.995","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101428","5.8906","0.001","12.736","0.002","19.54","0.004","90","","90","","90","","1466","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N O3 -","- C15 H18 Br N O3 -","- C60 H72 Br4 N4 O12 -","4","1","","Mattson, Anita E; Zuhl, Andrea M; Reynolds, Troy E; Scheidt, Karl A","Direct nucleophilic acylation of nitroalkenes promoted by a fluoride anion/thiourea combination.","Journal of the American Chemical Society","2006","128","15","4932","4933","10.1021/ja056565i","","","0.71073","MoKα","","0.0522","0.035","","","0.0767","0.0823","","","","","","0.965","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101429","35.223","0.003","11.1137","0.0009","25.776","0.002","90","","130.96","0.003","90","","7619.8","1.1","153","","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H94 Li2 O10 Sn2 -","- C86 H94 Li2 O10 Sn2 -","- C344 H376 Li8 O40 Sn8 -","4","0.5","","Haga, Ryuta; Saito, Masaichi; Yoshioka, Michikazu","Reversible redox behavior between stannole dianion and bistannole-1,2-dianion.","Journal of the American Chemical Society","2006","128","15","4934","4935","10.1021/ja057228c","","","0.71073","MoKα","","0.0545","0.038","","","0.0907","0.1089","","","","","","0.945","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101430","18.1536","0.0006","18.1536","0.0006","52.57","0.004","90","","90","","90","","17324.5","1.4","123","2","123","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C117 H239 Cl3 Cu2 N8 O103 -","- C117 H201 Cl3 Cu2 N8 O103 -","- C468 H804 Cl12 Cu8 N32 O412 -","4","0.5","","Fu, Heng; Zhou, Ying-Hua; Chen, Wei-Lin; Deqing, Zhuo-Ga; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan","Complexation, structure, and superoxide dismutase activity of the imidazolate-bridged dinuclear copper moiety with beta-cyclodextrin and its guanidinium-containing derivative.","Journal of the American Chemical Society","2006","128","15","4924","4925","10.1021/ja057717c","","","0.71073","MoKα","","0.2129","0.1479","","","0.3702","0.4194","","","","","","1.41","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101431","40.07","0.005","18.332","0.002","10.556","0.003","90","","90","","90","","7754","2","133","2","133","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H59 Al N2 Si2 -","- C39 H59 Al N2 Si2 -","- C312 H472 Al8 N16 Si16 -","8","2","","Zhu, Hongping; Oswald, Rainer B; Fan, Hongjun; Roesky, Herbert W; Ma, Qingjun; Yang, Zhi; Schmidt, Hans-Georg; Noltemeyer, Mathias; Starke, Kerstin; Hosmane, Narayan S","Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.","Journal of the American Chemical Society","2006","128","15","5100","5108","10.1021/ja057731p","","","0.71073","MoKα","","0.1309","0.0493","","","0.0617","0.0768","","","","","","0.72","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101432","11.118","0.002","12.44","0.003","15.279","0.003","73.57","0.03","75.6","0.03","72.74","0.03","1904.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H53 Al N2 -","- C45 H53 Al N2 -","- C90 H106 Al2 N4 -","2","1","","Zhu, Hongping; Oswald, Rainer B; Fan, Hongjun; Roesky, Herbert W; Ma, Qingjun; Yang, Zhi; Schmidt, Hans-Georg; Noltemeyer, Mathias; Starke, Kerstin; Hosmane, Narayan S","Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.","Journal of the American Chemical Society","2006","128","15","5100","5108","10.1021/ja057731p","","","0.71073","MoKα","","0.0818","0.0736","","","0.1508","0.1549","","","","","","1.232","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101433","15.768","0.003","12.973","0.003","18.678","0.004","90","","98.39","0.03","90","","3779.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H53 Al N2 -","- C45 H53 Al N2 -","- C180 H212 Al4 N8 -","4","1","","Zhu, Hongping; Oswald, Rainer B; Fan, Hongjun; Roesky, Herbert W; Ma, Qingjun; Yang, Zhi; Schmidt, Hans-Georg; Noltemeyer, Mathias; Starke, Kerstin; Hosmane, Narayan S","Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.","Journal of the American Chemical Society","2006","128","15","5100","5108","10.1021/ja057731p","","","1.54178","CuKα","","0.0415","0.0328","","","0.0766","0.0814","","","","","","1.016","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101434","14.641","0.003","19.674","0.004","16.162","0.003","90","","99.78","0.03","90","","4587.7","1.6","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H64 Al N2 -","- C54 H64 Al N2 -","- C216 H256 Al4 N8 -","4","1","","Zhu, Hongping; Oswald, Rainer B; Fan, Hongjun; Roesky, Herbert W; Ma, Qingjun; Yang, Zhi; Schmidt, Hans-Georg; Noltemeyer, Mathias; Starke, Kerstin; Hosmane, Narayan S","Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.","Journal of the American Chemical Society","2006","128","15","5100","5108","10.1021/ja057731p","","","0.71073","MoKα","","0.0671","0.043","","","0.102","0.11","","","","","","0.986","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101435","16.879","0.003","12.292","0.003","17.093","0.003","90","","105.37","0.03","90","","3419.6","1.2","253","2","253","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Na7 O36 Ru4 -","- C12 Na7 O36 Ru4 -","- C48 Na28 O144 Ru16 -","4","0.5","","Wong, Ella Lai-Ming; Sun, Raymond Wai-Yin; Chung, Nancy P-Y; Lin, Chen-Lung Steve; Zhu, Nianyong; Che, Chi-Ming","A mixed-valent ruthenium-oxo oxalato cluster Na7[Ru4(mu3-O)4(C2O4)6] with potent anti-HIV activities.","Journal of the American Chemical Society","2006","128","15","4938","4939","10.1021/ja057883k","","","0.71073","MoKα","","0.0338","0.0303","","","0.0941","0.0959","","","","","","1.137","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101436","18.78","0.004","14.609","0.003","12.213","0.002","90","","114.08","0.03","90","","3059.1","1.1","253","2","253","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H7 Na3 O15.5 Ru -","- C6 Na3 O15.5 Ru -","- C48 Na24 O124 Ru8 -","8","1","","Wong, Ella Lai-Ming; Sun, Raymond Wai-Yin; Chung, Nancy P-Y; Lin, Chen-Lung Steve; Zhu, Nianyong; Che, Chi-Ming","A mixed-valent ruthenium-oxo oxalato cluster Na7[Ru4(mu3-O)4(C2O4)6] with potent anti-HIV activities.","Journal of the American Chemical Society","2006","128","15","4938","4939","10.1021/ja057883k","","","0.71073","MoKα","","0.0624","0.0517","","","0.1531","0.1581","","","","","","1.16","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101437","13.6546","0.001","12.7382","0.0009","19.7605","0.0014","90","","90","","90","","3437","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C160 H200 N8 O24 -","8","1","","Ma, Shengming; Gu, Zhenhua","Sequential rearrangement of 1,2,4Z,7-tetraenes involving [1,5]-hydrogen migration and electrocyclization: an efficient synthesis of eight-membered cyclic compounds.","Journal of the American Chemical Society","2006","128","15","4942","4943","10.1021/ja057985a","","","0.71073","MoKα","","0.0727","0.0548","","","0.136","0.1464","","","","","","0.986","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101438","6.7357","0.0008","19.494","0.002","11.5301","0.0014","90","","101.969","0.002","90","","1481.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Ma, Shengming; Gu, Zhenhua","Sequential rearrangement of 1,2,4Z,7-tetraenes involving [1,5]-hydrogen migration and electrocyclization: an efficient synthesis of eight-membered cyclic compounds.","Journal of the American Chemical Society","2006","128","15","4942","4943","10.1021/ja057985a","","","0.71073","MoKα","","0.0894","0.0586","","","0.1363","0.1517","","","","","","0.939","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101439","20.526","0.002","8.1237","0.0007","25.516","0.002","90","","90","","90","","4254.7","0.6","100","1","100","1","","","","","","","see text","2","P c a 21","P 2c -2ac","29","","","","- C32 H22 -","- C32 H22 -","- C256 H176 -","8","2","","Vicario, Javier; Walko, Martin; Meetsma, Auke; Feringa, Ben L","Fine tuning of the rotary motion by structural modification in light-driven unidirectional molecular motors.","Journal of the American Chemical Society","2006","128","15","5127","5135","10.1021/ja058303m","","","0.71073","MoKα","","0.069","0.0533","","","0.1239","0.1322","","","","","","1.023","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101440","23.32","0.005","8.89","0.002","10.399","0.002","90","","90","","90","","2155.9","0.8","100","1","100","1","","","","","","","see text","2","P c a 21","P 2c -2ac","29","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Vicario, Javier; Walko, Martin; Meetsma, Auke; Feringa, Ben L","Fine tuning of the rotary motion by structural modification in light-driven unidirectional molecular motors.","Journal of the American Chemical Society","2006","128","15","5127","5135","10.1021/ja058303m","","","0.71073","MoKα","","0.1028","0.0579","","","0.1216","0.1345","","","","","","0.977","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101441","18.56","0.004","5.8676","0.0011","15.887","0.003","90","","98.155","0.004","90","","1712.6","0.6","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H21 Br O3 -","- C18 H21 Br O3 -","- C72 H84 Br4 O12 -","4","1","","Lee, Ai-Lan; Malcolmson, Steven J; Puglisi, Alessandra; Schrock, Richard R; Hoveyda, Amir H","Enantioselective synthesis of cyclic enol ethers and all-carbon quaternary stereogenic centers through catalytic asymmetric ring-closing metathesis.","Journal of the American Chemical Society","2006","128","15","5153","5157","10.1021/ja058428r","","","0.71073","MoKα","","0.0979","0.0697","","","0.0856","0.0929","","","","","","1.124","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101442","13.62","0.004","13.81","0.004","14.056","0.004","90","","95.534","0.005","90","","2631.3","1.2","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 Ge O2 -","- C28 H42 Ge O2 -","- C112 H168 Ge4 O8 -","4","1","","Gerung, Henry; Boyle, Timothy J; Tribby, Louis J; Bunge, Scott D; Brinker, C Jeffrey; Han, Sang M","Solution synthesis of germanium nanowires using a Ge2+ alkoxide precursor.","Journal of the American Chemical Society","2006","128","15","5244","5250","10.1021/ja058524s","","","0.71073","MoKα","","0.0954","0.0616","","","0.1392","0.1586","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101443","12.6576","0.0009","14.0938","0.001","26.0706","0.0018","90","","90","","90","","4650.8","0.6","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H78 O6 Si2 -","- C43 H78 O6 Si2 -","- C172 H312 O24 Si8 -","4","1","","Smith, 3rd, Amos B; Mesaros, Eugen F; Meyer, Emmanuel A","Evolution of a total synthesis of (-)-kendomycin exploiting a Petasis-Ferrier rearrangement/ring-closing olefin metathesis strategy.","Journal of the American Chemical Society","2006","128","15","5292","5299","10.1021/ja060369+","","","0.71069","MoKα","","0.0477","0.0415","","","0.088","0.092","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101444","8.1245","0.0009","18.086","0.002","24.834","0.003","90","","90","","90","","3649","0.7","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H58 O6 Si -","- C36 H58 O6 Si -","- C144 H232 O24 Si4 -","4","1","","Smith, 3rd, Amos B; Mesaros, Eugen F; Meyer, Emmanuel A","Evolution of a total synthesis of (-)-kendomycin exploiting a Petasis-Ferrier rearrangement/ring-closing olefin metathesis strategy.","Journal of the American Chemical Society","2006","128","15","5292","5299","10.1021/ja060369+","","","0.71069","MoKα","","0.0987","0.0641","","","0.1495","0.1728","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101445","10.343","0.0004","10.5536","0.0004","14.0707","0.0005","87.428","0.002","83.364","0.002","73.736","0.001","1464.43","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H96 B2 Cl2 Fe2 N4 P2 -","- C54 H96 B2 Cl2 Fe2 N4 P4 -","- C54 H96 B2 Cl2 Fe2 N4 P4 -","1","0.5","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.0989","0.0494","","","0.0817","0.0905","","","","","","1.157","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101446","10.8828","0.0009","20.2565","0.0017","33.573","0.003","90","","94.412","0.002","90","","7379.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H63 B Fe N3 P2 -","- C37 H63 B Fe N3 P2 -","- C296 H504 B8 Fe8 N24 P16 -","8","2","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.1493","0.0818","","","0.1083","0.1159","","","","","","1.763","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101447","10.8828","0.0009","20.2565","0.0017","33.573","0.003","90","","94.412","0.002","90","","7379.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.75 H36.75 B0.75 Fe0.75 N2.25 P1.5 -","- C37 H63 B Fe N3 P2 -","- C296 H504 B8 Fe8 N24 P16 -","8","2","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.1539","0.0893","","","0.1237","0.1301","","","","","","1.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101448","10.886","0.004","17.39","0.005","21.104","0.006","83.777","0.011","75.874","0.007","85.19","0.008","3845","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H65 B Fe N3 P2 -","- C39 H67 B Fe N3 P2 -","- C156 H268 B4 Fe4 N12 P8 -","4","2","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.1739","0.0885","","","0.1504","0.1655","","","","","","1.252","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101449","12.2246","0.0019","27.556","0.004","12.862","0.002","90","","102.822","0.004","90","","4224.7","1.1","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C81 H121 B F24 Fe N3 O3 P2 -","- C81 H99 B2 F24 Fe N3 O3 P2 -","- C162 H198 B4 F48 Fe2 N6 O6 P4 -","2","1","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.2941","0.1237","","","0.1716","0.1972","","","","","","1.38","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101450","19.438","0.017","18.86","0.02","22.418","0.017","90","","99.66","0.05","90","","8104","14","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C79 H93 B2 F24 Fe N3 O2 P2 -","- C52.6667 H63.3333 B1.33333 F16 Fe0.666667 N2 O1.33333 P1.33333 -","- C316 H380 B8 F96 Fe4 N12 O8 P8 -","6","1.5","","Thomas, Christine M; Mankad, Neal P; Peters, Jonas C","Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.","Journal of the American Chemical Society","2006","128","15","4956","4957","10.1021/ja0604358","","","0.71073","MoKα","","0.1563","0.0607","","","0.0871","0.0996","","","","","","1.216","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101451","17.1638","0.001","12.4968","0.0008","30.4408","0.0018","90","","90","","90","","6529.3","0.7","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H21 B11 -","- C11 H21 B11 -","- C176 H336 B176 -","16","4","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1593","0.0663","","","0.1545","0.1917","","","","","","0.96","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101452","29.9835","0.0015","6.9576","0.0003","14.8049","0.0007","90","","90","","90","","3088.5","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H19 B11 -","- C10 H19 B11 -","- C80 H152 B88 -","8","2","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1289","0.0601","","","0.1353","0.1738","","","","","","0.994","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101453","13.549","0.012","10.789","0.009","12.519","0.011","90","","90","","90","","1830","3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C11 H29 B11 -","- C11 H23 B11 -","- C44 H92 B44 -","4","0.5","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1005","0.0917","","","0.311","0.3372","","","","","","1.61","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101454","12.4353","0.0019","17.434","0.003","17.516","0.003","90","","90","","90","","3797.3","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H11 B11 Br6 -","- C5 H11 B11 Br6 -","- C40 H88 B88 Br48 -","8","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1172","0.0624","","","0.1562","0.205","","","","","","1.017","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101455","26.847","0.002","11.2688","0.0009","22.1902","0.0018","90","","90","","90","","6713.4","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C42 H106 B22 Li4 O12 -","- C42 H106 B22 Li4 O12 -","- C168 H424 B88 Li16 O48 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1813","0.0901","","","0.2218","0.2962","","","","","","0.994","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101456","15.322","0.005","11.64","0.004","20.559","0.007","90","","96.728","0.007","90","","3641","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H53 B11 Na2 O4 -","- C27 H53 B11 Na2 O4 -","- C108 H212 B44 Na8 O16 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1678","0.0881","","","0.2452","0.3317","","","","","","1.019","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101457","11.7337","0.0006","24.0688","0.0011","24.6327","0.0012","90","","90","","90","","6956.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H51 B11 Na2 O4 -","- C26 H51 B11 Na2 O4 -","- C208 H408 B88 Na16 O32 -","8","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1629","0.0804","","","0.2211","0.2975","","","","","","1.062","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4101458","10.6621","0.0008","28.285","0.002","12.8219","0.0009","90","","100.73","0.002","90","","3799.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H53 B11 Na2 O5 -","- C28 H53 B11 Na2 O5 -","- C112 H212 B44 Na8 O20 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1694","0.0978","","","0.2739","0.3336","","","","","","1.04","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101459","9.8243","0.0008","19.2794","0.0015","18.2812","0.0015","90","","92.967","0.001","90","","3457.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H57 B11 Ca O5 -","- C25 H57 B11 Ca O5 -","- C100 H228 B44 Ca4 O20 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1078","0.0584","","","0.1503","0.1783","","","","","","1.023","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101460","11.0023","0.001","11.6631","0.001","20.3879","0.0018","81.851","0.001","77.994","0.001","68.843","0.001","2380.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H65 B11 Ni O3 P2 -","- C43 H65 B11 Ni O3 P2 -","- C86 H130 B22 Ni2 O6 P4 -","2","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.0991","0.0638","","","0.1751","0.194","","","","","","1.012","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101461","10.9613","0.0017","11.7026","0.0019","20.509","0.003","82.866","0.004","80.038","0.004","67.554","0.004","2389.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H63 B11 Ni O3 P2 -","- C43 H63 B11 Ni O3 P2 -","- C86 H126 B22 Ni2 O6 P4 -","2","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1585","0.0791","","","0.2031","0.264","","","","","","1.019","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101462","33.299","0.005","8.7863","0.001","35.011","0.004","90","","113.836","0.006","90","","9370","2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C53 H48 O4 -","- C58.5 H48 O4 -","- C468 H384 O32 -","8","1","","Menger, Fredric M; Sorrells, Jennifer L","A non-steroidal facial amphiphile.","Journal of the American Chemical Society","2006","128","15","4960","4961","10.1021/ja0608747","","","1.54178","CuKα","","0.2323","0.1234","","","0.3111","0.3813","","","","","","1.008","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101463","16.2233","0.0002","13.7836","0.0003","20.1744","0.0004","90","","91.207","0.001","90","","4510.31","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H84 Cl2 P2 Pd -","- C41.992 H84 Cl2 P2 Pd -","- C167.968 H336 Cl8 P8 Pd4 -","4","1","","Nawara, Agnieszka J; Shima, Takanori; Hampel, Frank; Gladysz, J A","Gyroscope-like molecules consisting of PdX2/PtX2 rotators encased in three-spoke stators: synthesis via alkene metathesis, and facile substitution and demetalation.","Journal of the American Chemical Society","2006","128","15","4962","4963","10.1021/ja061044w","","","0.71073","MoKα","","0.0646","0.0344","","","0.0732","0.0823","","","","","","0.963","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101464","11.9863","0.0002","16.467","0.0003","16.9113","0.0002","67.387","0.001","72.547","0.001","79.382","0.001","2930.44","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H106 P2 Pt -","- C58.992 H106 P2 Pt -","- C117.984 H212 P4 Pt2 -","2","1","","Nawara, Agnieszka J; Shima, Takanori; Hampel, Frank; Gladysz, J A","Gyroscope-like molecules consisting of PdX2/PtX2 rotators encased in three-spoke stators: synthesis via alkene metathesis, and facile substitution and demetalation.","Journal of the American Chemical Society","2006","128","15","4962","4963","10.1021/ja061044w","","","0.71073","MoKα","","0.0365","0.0293","","","0.0748","0.0792","","","","","","1.018","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101465","11.2376","0.0014","11.682","0.0015","13.9798","0.0017","106.609","0.002","107.792","0.002","97.506","0.002","1626.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","05130b","","","- C33 H36 Br F3 O7 -","- C33 H36 Br F3 O7 -","- C66 H72 Br2 F6 O14 -","2","1","","Kurdyumov, Aleksey V; Hsung, Richard P","An unusual cationic [2 + 2] cycloaddition in a divergent total synthesis of hongoquercin A and rhododaurichromanic acid A.","Journal of the American Chemical Society","2006","128","19","6272","6273","10.1021/ja054872i","","","0.71073","MoKα","","0.0652","0.0445","","","0.1085","0.1198","","","","","","1.021","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101466","9.3825","0.0004","11.4433","0.0004","11.5409","0.0005","98.579","0.001","96.178","0.001","94.445","0.001","1212.6","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H58 Cl8 P2 Pd2 -","- C44 H58 Cl8 P2 Pd2 -","- C44 H58 Cl8 P2 Pd2 -","1","0.5","","Christmann, Ute; Pantazis, Dimitrios A; Benet-Buchholz, Jordi; McGrady, John E; Maseras, Feliu; Vilar, Ramón","Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides.","Journal of the American Chemical Society","2006","128","19","6376","6390","10.1021/ja057825z","","","0.71073","MoKα","","0.0342","0.0301","","","0.0719","0.0739","","","","","","1.056","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101467","18.9087","0.0017","11.3204","0.0011","11.4261","0.001","90","","109.683","0.002","90","","2302.9","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H32 Cl2 N P Pd2 -","- C22 H32 Cl2 N P Pd2 -","- C88 H128 Cl8 N4 P4 Pd8 -","4","1","","Christmann, Ute; Pantazis, Dimitrios A; Benet-Buchholz, Jordi; McGrady, John E; Maseras, Feliu; Vilar, Ramón","Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides.","Journal of the American Chemical Society","2006","128","19","6376","6390","10.1021/ja057825z","","","0.71073","MoKα","","0.0356","0.0333","","","0.0801","0.0827","","","","","","1.121","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101468","18.8461","0.0006","12.1995","0.0004","9.7818","0.0003","90","","90","","90","","2248.96","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H31 Br2 N P Pd -","- C22 H31 Br2 N P Pd -","- C88 H124 Br8 N4 P4 Pd4 -","4","0.5","","Christmann, Ute; Pantazis, Dimitrios A; Benet-Buchholz, Jordi; McGrady, John E; Maseras, Feliu; Vilar, Ramón","Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides.","Journal of the American Chemical Society","2006","128","19","6376","6390","10.1021/ja057825z","","","0.71073","MoKα","","0.0505","0.0386","","","0.0955","0.1011","","","","","","1.028","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101469","8.2553","0.0007","12.2943","0.001","16.4607","0.0014","102.663","0.002","103.627","0.002","91.036","0.002","1579.8","0.2","273","2","228","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H36 N4 O6 -","- C35 H36 N4 O6 -","- C70 H72 N8 O12 -","2","1","","Tamaoki, Nobuyuki; Wada, Momoyo","Dynamic control of racemization rate through E-Z photoisomerization of azobenzene and subsequent partial photoresolution under circular polarized light.","Journal of the American Chemical Society","2006","128","19","6284","6285","10.1021/ja058398s","","","0.71073","MoKα","","0.0522","0.0429","","","0.1186","0.1282","","","","","","0.952","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101470","10.1518","0.0008","16.2374","0.0013","21.7024","0.0017","90","","90.229","0.001","90","","3577.4","0.5","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H44 N4 O8 -","- C39 H44 N4 O8 -","- C156 H176 N16 O32 -","4","1","","Tamaoki, Nobuyuki; Wada, Momoyo","Dynamic control of racemization rate through E-Z photoisomerization of azobenzene and subsequent partial photoresolution under circular polarized light.","Journal of the American Chemical Society","2006","128","19","6284","6285","10.1021/ja058398s","","","0.71073","MoKα","","0.0504","0.0433","","","0.1174","0.1242","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101471","11.7081","0.0019","11.9876","0.0019","11.9931","0.0019","67.339","0.002","76.286","0.003","75.921","0.003","1487.2","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H36 N4 O6 -","- C35 H36 N4 O6 -","- C70 H72 N8 O12 -","2","1","","Tamaoki, Nobuyuki; Wada, Momoyo","Dynamic control of racemization rate through E-Z photoisomerization of azobenzene and subsequent partial photoresolution under circular polarized light.","Journal of the American Chemical Society","2006","128","19","6284","6285","10.1021/ja058398s","","","0.71073","MoKα","","0.0754","0.0593","","","0.1515","0.1606","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101472","10.3665","0.0009","32.825","0.003","11.868","0.001","90","","101.224","0.002","90","","3961.1","0.6","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 N4 O9 -","- C43 H52 N4 O9 -","- C172 H208 N16 O36 -","4","1","","Tamaoki, Nobuyuki; Wada, Momoyo","Dynamic control of racemization rate through E-Z photoisomerization of azobenzene and subsequent partial photoresolution under circular polarized light.","Journal of the American Chemical Society","2006","128","19","6284","6285","10.1021/ja058398s","","","0.71073","MoKα","","0.0647","0.0476","","","0.1168","0.1272","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101473","6.5195","0.0005","14.0366","0.0011","19.108","0.0014","107.401","0.001","99.129","0.001","98.266","0.001","1613.2","0.2","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","2","","Wender, Paul A; Haustedt, Lars O; Lim, Jaehong; Love, Jennifer A; Williams, Travis J; Yoon, Joo-Yong","Asymmetric catalysis of the [5 + 2] cycloaddition reaction of vinylcyclopropanes and pi-systems.","Journal of the American Chemical Society","2006","128","19","6302","6303","10.1021/ja058590u","","","0.71073","MoKα","","0.071","0.0464","","","0.1147","0.1216","","","","","","0.931","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101474","11.0127","0.0008","16.387","0.0008","18.7355","0.0011","99.521","0.001","106.034","0.001","102.488","0.001","3080","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc3N@N-trityl-3,4-fullero[C80]pyrrolidine, 2.25CS2, 0.75benzene solvate","","","- C107.75 H23.5 N2 S4.5 Sc3 -","- C107.75 H23.5 N2 S4.5 Sc3 -","- C215.5 H47 N4 S9 Sc6 -","2","1","","Cai, Ting; Slebodnick, Carla; Xu, Liaosa; Harich, Kim; Glass, Thomas E; Chancellor, Christopher; Fettinger, James C; Olmstead, Marilyn M; Balch, Alan L; Gibson, Harry W; Dorn, Harry C","A pirouette on a metallofullerene sphere: interconversion of isomers of N-tritylpyrrolidino I(h) Sc3N@C80.","Journal of the American Chemical Society","2006","128","19","6486","6492","10.1021/ja0601843","","","0.71073","MoKα","","0.1408","0.0987","","","0.2809","0.305","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101475","11.0242","0.0011","16.5046","0.0018","18.8995","0.0019","74.045","0.002","77.655","0.003","76.84","0.002","3177.2","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Sc3N@N-trityl-3,4-fullero[C80]pyrrolidine","","","- C115.65 H36.1 N2 Sc3 -","- C115.65 H36.1 N2 Sc3 -","- C231.3 H72.2 N4 Sc6 -","2","1","","Cai, Ting; Slebodnick, Carla; Xu, Liaosa; Harich, Kim; Glass, Thomas E; Chancellor, Christopher; Fettinger, James C; Olmstead, Marilyn M; Balch, Alan L; Gibson, Harry W; Dorn, Harry C","A pirouette on a metallofullerene sphere: interconversion of isomers of N-tritylpyrrolidino I(h) Sc3N@C80.","Journal of the American Chemical Society","2006","128","19","6486","6492","10.1021/ja0601843","","","0.71073","MoKα","","0.0817","0.0547","","","0.139","0.1559","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101476","23.443","0.007","5.6718","0.0016","7.288","0.002","90","","90","","90","","969","0.5","93","2","93","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C12 H28 I3 N4 Pt -","- C12 H28 I3 N4 Pt -","- C24 H56 I6 N8 Pt2 -","2","0.25","","Takaishi, Shinya; Kawakami, Daisuke; Yamashita, Masahiro; Sasaki, Mari; Kajiwara, Takashi; Miyasaka, Hitoshi; Sugiura, Ken-Ichi; Wakabayashi, Yusuke; Sawa, Hiroshi; Matsuzaki, Hiroyuki; Kishida, Hideo; Okamoto, Hiroshi; Watanabe, Harutaka; Tanaka, Hisaaki; Marumoto, Kazuhiro; Ito, Hiroshi; Kuroda, Shin-Ichi","Dynamical valence fluctuation at the charge-density-wave phase boundary in iodide-bridged Pt compound [Pt(chxn)2I]I2.","Journal of the American Chemical Society","2006","128","19","6420","6425","10.1021/ja060193b","","","0.7107","MoKα","","0.0243","0.0219","","","0.0435","0.0454","","","","","","1.201","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101477","10.2537","0.0003","12.326","0.0005","14.6483","0.0007","84.445","0.003","81.887","0.002","72.518","0.003","1745.27","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H56 Si4 Zr -","- C30 H56 Si4 Zr -","- C60 H112 Si8 Zr2 -","2","1","","Bradley, Christopher A; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J","Synthesis of bis(indenyl)zirconium dihydrides and subsequent rearrangement to eta5,eta3-4,5-dihydroindenediyl ligands: evidence for intermediates during the hydrogenation to tetrahydroindenyl derivatives.","Journal of the American Chemical Society","2006","128","19","6454","6467","10.1021/ja060472z","","","0.71073","MoKα","","0.054","0.0431","","","0.0944","0.0988","","","","","","1.081","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101478","10.9586","0.0006","13.292","0.0006","17.4629","0.0009","90","","99.763","0.002","90","","2506.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Zr -","- C30 H40 Zr -","- C120 H160 Zr4 -","4","1","","Bradley, Christopher A; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J","Synthesis of bis(indenyl)zirconium dihydrides and subsequent rearrangement to eta5,eta3-4,5-dihydroindenediyl ligands: evidence for intermediates during the hydrogenation to tetrahydroindenyl derivatives.","Journal of the American Chemical Society","2006","128","19","6454","6467","10.1021/ja060472z","","","0.71073","MoKα","","0.0522","0.0333","","","0.0788","0.0845","","","","","","1.047","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101479","16.1719","0.0007","9.563","0.0004","17.0533","0.0006","90","","93.25","0.001","90","","2633.08","0.18","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 Zr0.5 -","- C15 H20 Zr0.5 -","- C120 H160 Zr4 -","8","1","","Bradley, Christopher A; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J","Synthesis of bis(indenyl)zirconium dihydrides and subsequent rearrangement to eta5,eta3-4,5-dihydroindenediyl ligands: evidence for intermediates during the hydrogenation to tetrahydroindenyl derivatives.","Journal of the American Chemical Society","2006","128","19","6454","6467","10.1021/ja060472z","","","0.71073","MoKα","","0.0376","0.0285","","","0.0674","0.0701","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101480","10.8829","0.0012","13.5285","0.0015","17.1963","0.0019","90","","100.158","0.006","90","","2492.1","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Zr -","- C30 H40 Zr -","- C120 H160 Zr4 -","4","1","","Bradley, Christopher A; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J","Synthesis of bis(indenyl)zirconium dihydrides and subsequent rearrangement to eta5,eta3-4,5-dihydroindenediyl ligands: evidence for intermediates during the hydrogenation to tetrahydroindenyl derivatives.","Journal of the American Chemical Society","2006","128","19","6454","6467","10.1021/ja060472z","","","0.71073","MoKα","","0.0501","0.0304","","","0.0758","0.0817","","","","","","1.046","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101481","8.7756","0.0001","13.9797","0.0002","12.4209","0.0001","90","","95.397","0.001","90","","1517.04","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cl N Pd -","- C15 H22 Cl N Pd -","- C60 H88 Cl4 N4 Pd4 -","4","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0288","0.028","","","0.0735","0.0742","","","","","","1.043","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101482","8.1918","0.0013","10.394","0.0016","14.768","0.002","83.97","0.003","76.233","0.003","69.495","0.003","1143.6","0.3","125","2","125","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C26 H28 Cl N2 Pd -","- C26 H28 Cl N2 Pd -","- C52 H56 Cl2 N4 Pd2 -","2","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","0.71073","MoKα","","0.0467","0.037","","","0.0951","0.1034","","","","","","1.053","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101483","13.2654","0.0002","13.3187","0.0002","19.3102","0.0004","90","","90","","90","","3411.69","0.1","125","2","125","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 Cl N2 Pd -","- C19 H17 Cl N2 Pd -","- C152 H136 Cl8 N16 Pd8 -","8","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0622","0.0471","","","0.128","0.1362","","","","","","0.982","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101484","10.3658","0.0001","12.3444","0.0001","14.4307","0.0002","91.696","0.001","109.563","0.001","100.612","0.001","1701.87","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C34 H49 Cl N P Pd -","- C34 H49 Cl N P Pd -","- C68 H98 Cl2 N2 P2 Pd2 -","2","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0524","0.0478","","","0.1459","0.1688","","","","","","1.139","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101485","17.481","0.003","16.598","0.003","17.74","0.003","90","","109.518","0.007","90","","4851.6","1.3","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H79 Cl P2 Pd2 -","- C54 H79 Cl P2 Pd2 -","- C216 H316 Cl4 P8 Pd8 -","4","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.09","0.0549","","","0.1253","0.1386","","","","","","0.976","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101486","13.8689","0.0003","14.2117","0.0003","19.1372","0.0006","90","","104.345","0.002","90","","3654.35","0.16","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 c 1","C -2yc","9","","","","- C45 H37 Cl P2 Pd2 -","- C45 H37 Cl P2 Pd2 -","- C180 H148 Cl4 P8 Pd8 -","4","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0541","0.0535","","","0.1369","0.1375","","","","","","1.041","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101487","17.0179","0.0002","9.4258","0.0001","18.1497","0.0003","90","","115.208","0.001","90","","2634.09","0.06","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Cl2 N P Pd -","- C25 H42 Cl2 N P Pd -","- C100 H168 Cl8 N4 P4 Pd4 -","4","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0324","0.0308","","","0.0798","0.0811","","","","","","1.039","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101488","27.95","0.005","23.526","0.004","28.457","0.005","90","","112.113","0.003","90","","17336","5","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 N3 Ni O4 Rh S2 -","- C16 H28 N3 Ni O4 Rh S2 -","- C512 H896 N96 Ni32 O128 Rh32 S64 -","32","4","","Green, Kayla N; Jeffery, Stephen P; Reibenspies, Joseph H; Darensbourg, Marcetta Y","A nickel tripeptide as a metallodithiolate ligand anchor for resin-bound organometallics.","Journal of the American Chemical Society","2006","128","19","6493","6498","10.1021/ja060876r","","","0.71073","MoKα","","0.0722","0.0551","","","0.1273","0.1435","","","","","","1.091","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101489","9.991","0.002","11.55","0.003","16.844","0.004","90","","90","","90","","1943.7","0.8","110","2","110","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 F6 N2 Ni O2 Rh S3 -","- C12 H20 F6 N2 Ni O2 Rh S3 -","- C48 H80 F24 N8 Ni4 O8 Rh4 S12 -","4","1","","Green, Kayla N; Jeffery, Stephen P; Reibenspies, Joseph H; Darensbourg, Marcetta Y","A nickel tripeptide as a metallodithiolate ligand anchor for resin-bound organometallics.","Journal of the American Chemical Society","2006","128","19","6493","6498","10.1021/ja060876r","","","0.71073","MoKα","","0.0233","0.023","","","0.0546","0.0548","","","","","","1.068","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101490","12.1805","0.0016","12.6262","0.0018","15.275","0.002","90.928","0.002","99.04","0.002","97.883","0.003","2296.4","0.6","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H68 Lu N3 Si3 -","- C39 Lu N3 Si3 -","- C78 Lu2 N6 Si6 -","2","1","","Jantunen, Kimberly C; Scott, Brian L; Hay, P Jeffrey; Gordon, John C; Kiplinger, Jaqueline L","Dearomatization and functionalization of terpyridine by lutetium(III) alkyl complexes.","Journal of the American Chemical Society","2006","128","19","6322","6323","10.1021/ja061161r","","","0.71073","MoKα","","0.1037","0.0542","","","0.1251","0.1423","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101491","10.7538","0.0014","11.8122","0.0016","20.525","0.003","98.937","0.002","92.135","0.003","113.937","0.002","2339.4","0.5","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H72 Lu N3 Si2 -","- C45 H63 Lu N3 Si2 -","- C90 H126 Lu2 N6 Si4 -","2","1","","Jantunen, Kimberly C; Scott, Brian L; Hay, P Jeffrey; Gordon, John C; Kiplinger, Jaqueline L","Dearomatization and functionalization of terpyridine by lutetium(III) alkyl complexes.","Journal of the American Chemical Society","2006","128","19","6322","6323","10.1021/ja061161r","","","0.71073","MoKα","","0.077","0.0438","","","0.0779","0.0857","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101492","8.137","0.005","9.213","0.006","9.283","0.006","71.34","0.009","87.737","0.009","73.338","0.009","630.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Br N O3 -","- C12 H16 Br N O3 -","- C24 H32 Br2 N2 O6 -","2","1","","Yeung, Ying-Yeung; Hong, Sungwoo; Corey, E J","A short enantioselective pathway for the synthesis of the anti-influenza neuramidase inhibitor oseltamivir from 1,3-butadiene and acrylic acid.","Journal of the American Chemical Society","2006","128","19","6310","6311","10.1021/ja0616433","","","0.71073","MoKα","","0.0273","0.0251","","","0.0628","0.0639","","","","","","1.041","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101493","10.836","0.002","23.767","0.005","9.844","0.002","90","","122.091","0.003","90","","2147.8","0.8","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H25 Br Cl2 N2 O5 -","- C16 H25 Br Cl2 N2 O5 -","- C64 H100 Br4 Cl8 N8 O20 -","4","1","","Yeung, Ying-Yeung; Hong, Sungwoo; Corey, E J","A short enantioselective pathway for the synthesis of the anti-influenza neuramidase inhibitor oseltamivir from 1,3-butadiene and acrylic acid.","Journal of the American Chemical Society","2006","128","19","6310","6311","10.1021/ja0616433","","","0.71073","MoKα","","0.0305","0.0275","","","0.0642","0.0653","","","","","","1.017","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101494","7.076","0.005","7.693","0.005","12.82","0.01","77.94","0.03","84.96","0.03","75.35","0.03","659.7","0.8","123.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C30 H36 N4 O2 -","2","1","","Shintani, Ryo; Hayashi, Tamio","Palladium-catalyzed [3 + 3] cycloaddition of trimethylenemethane with azomethine imines.","Journal of the American Chemical Society","2006","128","19","6330","6331","10.1021/ja061662c","","","0.7107","MoKα","","","0.046","","","","0.064","","","","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101495","10.2735","0.0006","14.111","0.002","15.4467","0.0015","102.224","0.008","105.077","0.006","94.414","0.007","2092.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","tpy-xy-TPH2(NO2)+","","","- C49 H38.5 B F4 N6.5 O2 -","- C49 H38.5 B F4 N6.5 O2 -","- C98 H77 B2 F8 N13 O4 -","2","1","","Lainé, Philippe P; Bedioui, Fethi; Loiseau, Frédérique; Chiorboli, Claudio; Campagna, Sebastiano","Conformationally gated photoinduced processes within photosensitizer-acceptor dyads based on osmium(II) complexes with triarylpyridinio-functionalized terpyridyl ligands: insights from experimental study.","Journal of the American Chemical Society","2006","128","23","7510","7521","10.1021/ja058357w","","","0.71073","MoKα","","0.1166","0.0659","","","0.1806","0.2255","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101496","40.8437","0.0003","40.8437","0.0003","28.724","0.0001","90","","90","","120","","41497.9","0.5","100","0.1","100","0.1","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","abp02","","","- C63 H95 N11 O45.5 -","- C63 H95 N11 O45.5 -","- C756 H1140 N132 O546 -","12","1","","Grotenbreg, Gijsbert M; Buizert, Annelies E M; Llamas-Saiz, Antonio L; Spalburg, Emile; van Hooft, Peter A V; de Neeling, Albert J; Noort, Daan; van Raaij, Mark J; van der Marel, Gijsbert A; Overkleeft, Herman S; Overhand, Mark","Beta-turn modified gramicidin S analogues containing arylated sugar amino acids display antimicrobial and hemolytic activity comparable to the natural product.","Journal of the American Chemical Society","2006","128","23","7559","7565","10.1021/ja0588510","","","0.97565","synchrotron","","0.1258","0.1152","","","0.3249","0.3391","","","","","","1.629","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101497","10.516","0.002","9.554","0.0019","16.67","0.003","90","","90","","90","","1674.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Wan, Xiaobing; Ma, Zhongxun; Li, Bijie; Zhang, Keya; Cao, Shaokui; Zhang, Shiwei; Shi, Zhangjie","Highly selective C-H functionalization/halogenation of acetanilide.","Journal of the American Chemical Society","2006","128","23","7416","7417","10.1021/ja060232j","","","0.71073","MoKα","","0.067","0.0323","","","0.0634","0.0663","","","","","","0.936","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101498","9.3602","0.0019","12.29","0.003","8.59","0.0017","90","","105.34","0.03","90","","953","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","Wan, Xiaobing; Ma, Zhongxun; Li, Bijie; Zhang, Keya; Cao, Shaokui; Zhang, Shiwei; Shi, Zhangjie","Highly selective C-H functionalization/halogenation of acetanilide.","Journal of the American Chemical Society","2006","128","23","7416","7417","10.1021/ja060232j","","","0.71073","MoKα","","0.0977","0.0551","","","0.1391","0.1548","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101499","7.5315","0.0015","19.034","0.004","8.174","0.0016","90","","104.27","0.03","90","","1135.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F N2 O4 -","- C10 H11 F N2 O4 -","- C40 H44 F4 N8 O16 -","4","2","","Lu, Shao-Feng; Du, Da-Ming; Xu, Jiaxi; Zhang, Shi-Wei","Asymmetric Michael addition of nitroalkanes to nitroalkenes catalyzed by C2-symmetric tridentate bis(oxazoline) and bis(thiazoline) zinc complexes.","Journal of the American Chemical Society","2006","128","23","7418","7419","10.1021/ja0604008","","","0.71073","MoKα","","0.1003","0.0577","","","0.1405","0.154","","","","","","0.999","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101500","5.9181","0.0012","7.2067","0.0014","28.153","0.006","90","","90","","90","","1200.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 Cl N2 O4 -","- C10 H11 Cl N2 O4 -","- C40 H44 Cl4 N8 O16 -","4","1","","Lu, Shao-Feng; Du, Da-Ming; Xu, Jiaxi; Zhang, Shi-Wei","Asymmetric Michael addition of nitroalkanes to nitroalkenes catalyzed by C2-symmetric tridentate bis(oxazoline) and bis(thiazoline) zinc complexes.","Journal of the American Chemical Society","2006","128","23","7418","7419","10.1021/ja0604008","","","0.71073","MoKα","","0.0718","0.0314","","","0.0467","0.0503","","","","","","0.808","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101501","22.8553","0.0007","22.8553","0.0007","60.016","0.004","90","","90","","120","","27150","2","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C376 H324 N47 O16 Zn6 -","- C376 H324 N47 O16 Zn6 -","- C1128 H972 N141 O48 Zn18 -","3","0.166667","","Kamada, Taisuke; Aratani, Naoki; Ikeda, Toshiaki; Shibata, Naoki; Higuchi, Yoshiki; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Kim, Kil Suk; Yoon, Zin Seok; Kim, Dongho; Osuka, Atsuhiro","High fidelity self-sorting assembling of meso-cinchomeronimide appended meso-meso linked Zn(II) diporphyrins.","Journal of the American Chemical Society","2006","128","23","7670","7678","10.1021/ja0611137","","","0.71073","MoKα","","0.2003","0.0992","","","0.2875","0.33","","","","","","0.969","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101502","29.95","0.03","54.46","0.05","30.26","0.03","90","","111.06","0.05","90","","46062","79","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C522 H722 N60 O20 Zn10 -","- C522 H110 N60 O20 Zn10 -","- C1044 H220 N120 O40 Zn20 -","2","1","","Kamada, Taisuke; Aratani, Naoki; Ikeda, Toshiaki; Shibata, Naoki; Higuchi, Yoshiki; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Kim, Kil Suk; Yoon, Zin Seok; Kim, Dongho; Osuka, Atsuhiro","High fidelity self-sorting assembling of meso-cinchomeronimide appended meso-meso linked Zn(II) diporphyrins.","Journal of the American Chemical Society","2006","128","23","7670","7678","10.1021/ja0611137","","","0.6","Synchrotron","","0.1277","0.1147","","","0.3123","0.3186","","","","","","2.415","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101503","8.1123","0.0018","20.867","0.002","10.8576","0.0013","90","","93.051","0.012","90","","1835.3","0.5","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Fe O2 -","- C23 H22 Fe O2 -","- C92 H88 Fe4 O8 -","4","1","","Gregson, Charlotte K A; Gibson, Vernon C; Long, Nicholas J; Marshall, Edward L; Oxford, Phillip J; White, Andrew J P","Redox control within single-site polymerization catalysts.","Journal of the American Chemical Society","2006","128","23","7410","7411","10.1021/ja061398n","","","1.54178","CuKα","","0.1411","0.0717","","","0.1358","0.1553","","","","","","1.009","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101504","12.665","0.0003","20.524","0.0005","19.944","0.0005","90","","96.16","","90","","5154.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 I O3 Si -","- C23 I O3 Si -","- C184 I8 O24 Si8 -","8","2","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","","0.71073","MoKα","","0.1879","0.0834","","","0.1834","0.2367","","","","","","0.937","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101505","15.831","0.007","15.831","0.004","5.792","0.0014","90","","90","0.003","120","","1257.1","0.7","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C15 H15 I O3 -","- C15 I O3 -","- C45 I3 O9 -","3","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","","0.71073","MoKα","","0.089","0.0615","","","0.1583","0.169","","","","","","0.654","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101506","8.878","0.007","12.732","0.004","25.155","0.0014","90","","90","","90","","2843","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N2 O5 -","- C31 H33 N2 O5 -","- C124 H132 N8 O20 -","4","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","","0.71069","MoKα","","0.1446","0.0716","","","0.1533","0.1883","","","","","","0.98","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101507","18.5","0.005","8.743","0.002","11.512","0.003","90","","124.481","0.004","90","","1535","0.7","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H19 I O4 -","- C14 H19 I O4 -","- C56 H76 I4 O16 -","4","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","x-ray","0.71073","MoKα","","0.0586","0.0563","","","0.1129","0.1138","","","","","","1.344","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101508","18.482","0.004","8.7351","0.0018","11.511","0.002","90","","124.485","0.002","90","","1531.8","0.5","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H19 I O4 -","- C14 H19 I O4 -","- C56 H76 I4 O16 -","4","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","x-ray","0.71073","MoKα","","0.0551","0.0509","","","0.0976","0.099","","","","","","1.277","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101509","7.3656","0.0008","8.1841","0.001","13.2944","0.0015","98.814","0.002","93.413","0.002","103.371","0.002","766.7","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C38 H40 O4 -","2","1","","Shi, Min; Liu, Le-Ping; Tang, Jie","Palladium-catalyzed ring enlargement of aryl-substituted methylenecyclopropanes to cyclobutenes.","Journal of the American Chemical Society","2006","128","23","7430","7431","10.1021/ja061749y","","","0.71073","MoKα","","0.103","0.0446","","","0.0698","0.0845","","","","","","0.791","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101510","12.1007","0.0018","11.1744","0.0007","19.3198","0.0018","90","","106.728","0.01","90","","2501.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Li N O2 Zn -","- C24 H42 Li N O2 Zn -","- C96 H168 Li4 N4 O8 Zn4 -","4","1","","Clegg, William; Dale, Sophie H; Drummond, Allison M; Hevia, Eva; Honeyman, Gordon W; Mulvey, Robert E","Alkali-metal-mediated zincation of anisole: synthesis and structures of three instructive ortho-zincated complexes.","Journal of the American Chemical Society","2006","128","23","7434","7435","10.1021/ja061898g","","","0.71073","MoKα","","0.0568","0.0319","","","0.0644","0.0717","","","","","","1.019","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101511","14.47","0.004","11.4161","0.0014","16.167","0.004","90","","93.35","0.02","90","","2666.1","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 Li N O3 Zn -","- C27 H40 Li N O3 Zn -","- C108 H160 Li4 N4 O12 Zn4 -","4","1","","Clegg, William; Dale, Sophie H; Drummond, Allison M; Hevia, Eva; Honeyman, Gordon W; Mulvey, Robert E","Alkali-metal-mediated zincation of anisole: synthesis and structures of three instructive ortho-zincated complexes.","Journal of the American Chemical Society","2006","128","23","7434","7435","10.1021/ja061898g","","","0.71073","MoKα","","0.0905","0.0571","","","0.0856","0.0939","","","","","","1.137","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101512","10.399","0.002","11.205","0.002","11.914","0.003","88.22","0.003","75.45","0.003","87.077","0.003","1341.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H42 Li N O2 Zn -","- C27 H42 Li N O2 Zn -","- C54 H84 Li2 N2 O4 Zn2 -","2","1","","Clegg, William; Dale, Sophie H; Drummond, Allison M; Hevia, Eva; Honeyman, Gordon W; Mulvey, Robert E","Alkali-metal-mediated zincation of anisole: synthesis and structures of three instructive ortho-zincated complexes.","Journal of the American Chemical Society","2006","128","23","7434","7435","10.1021/ja061898g","","","0.71073","MoKα","","0.0587","0.0526","","","0.1029","0.105","","","","","","1.248","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101513","6.9746","0.0011","12.471","0.002","7.7054","0.0012","90","","102.12","0.002","90","","655.29","0.18","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 F Mo O2 -","- C13 H15 F Mo O2 -","- C26 H30 F2 Mo2 O4 -","2","0.5","","Huang, Hui; Hughes, Russell P; Landis, Clark R; Rheingold, Arnold L","The simplest binary fluorocarbon as a ligand. Synthetic, spectroscopic, crystallographic, and computational studies of a molybdenum complex of terminally ligated carbon monofluoride (fluoromethylidyne).","Journal of the American Chemical Society","2006","128","23","7454","7455","10.1021/ja062510k","","","0.71073","MoKα","","0.0236","0.0229","","","0.0738","0.0743","","","","","","1.458","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101514","8.84","0.0014","11.1894","0.0017","22.168","0.003","90","","93.529","0.003","90","","2188.6","0.6","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Co2 F Mo O8 -","- C19 H15 Co2 F Mo O8 -","- C76 H60 Co8 F4 Mo4 O32 -","4","1","","Huang, Hui; Hughes, Russell P; Landis, Clark R; Rheingold, Arnold L","The simplest binary fluorocarbon as a ligand. Synthetic, spectroscopic, crystallographic, and computational studies of a molybdenum complex of terminally ligated carbon monofluoride (fluoromethylidyne).","Journal of the American Chemical Society","2006","128","23","7454","7455","10.1021/ja062510k","","","0.71073","MoKα","","0.0787","0.0499","","","0.0906","0.0973","","","","","","1.005","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101515","45.505","0.003","11.4419","0.0007","31.3536","0.0019","90","","129.181","0.002","90","","12654.1","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65.5 H104.5 N2.5 S3 U -","- C66 H102 N2 S3 U -","- C528 H816 N16 S24 U8 -","8","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0725","0.0431","","","0.1008","0.1074","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101516","11.937","0.0005","20.7998","0.0007","19.5467","0.0007","90","","90.212","0.002","90","","4853.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H83 N3 S Si6 U -","- C36 H83 N3 S Si6 U -","- C144 H332 N12 S4 Si24 U4 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0353","0.0258","","","0.0575","0.0602","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101517","13.9906","0.0008","32.6564","0.0019","19.4059","0.0007","90","","107.758","0.003","90","","8443.8","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C90 H134 S4 U -","- C90 H134 S4 U -","- C360 H536 S16 U4 -","4","0.5","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0447","0.034","","","0.0698","0.0735","","","","","","1.014","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101518","10.1653","0.0002","37.649","0.0014","14.3213","0.0006","90","","100.07","0.002","90","","5396.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 S3 U -","- C54 H87 S3 U -","- C216 H348 S12 U4 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.049","0.032","","","0.0615","0.0669","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101519","10.1325","0.0004","37.693","0.004","14.3913","0.0008","90","","99.949","0.003","90","","5413.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 La S3 -","- C54 H87 La S3 -","- C216 H348 La4 S12 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0853","0.0729","","","0.17","0.1802","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101520","16.0518","0.0005","37.544","0.001","18.9539","0.0012","90","","110.052","0.002","90","","10730.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H87 La S3 -","- C54 H87 La S3 -","- C432 H696 La8 S24 -","8","2","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0849","0.0654","","","0.1513","0.1654","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101521","10.1207","0.0005","37.6","0.002","14.3679","0.0009","90","","100.07","0.004","90","","5383.3","0.5","135","2","135","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 Ce S3 -","- C54 H87 Ce S3 -","- C216 H348 Ce4 S12 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.1789","0.0925","","","0.2188","0.2545","","","","","","0.97","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101522","10.1384","0.0009","37.698","0.004","14.3383","0.0011","90","","100.008","0.006","90","","5396.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 Pr S3 -","- C54 H87 Pr S3 -","- C216 H348 Pr4 S12 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.1143","0.0461","","","0.0788","0.0919","","","","","","0.887","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101523","10.1528","0.0004","37.6336","0.0017","14.3232","0.0006","90","","100.054","0.003","90","","5388.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 Nd S3 -","- C54 H87 Nd S3 -","- C216 H348 Nd4 S12 -","4","1","","Roger, Mathieu; Barros, Noémi; Arliguie, Thérèse; Thuéry, Pierre; Maron, Laurent; Ephritikhine, Michel","U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): lanthanide(III)/actinide(III) differentiation in agostic interactions and an unprecedented eta3 ligation mode of the arylthiolate ligand, from X-ray diffraction and DFT analysis.","Journal of the American Chemical Society","2006","128","27","8790","8802","10.1021/ja0584830","","","0.71073","MoKα","","0.0482","0.0334","","","0.0686","0.074","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101524","19.967","0.009","10.206","0.005","12.039","0.006","90","","90","","90","","2453","2","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H44 Li N O Zn -","- C21 H44 Li N O Zn -","- C84 H176 Li4 N4 O4 Zn4 -","4","0.5","","Uchiyama, Masanobu; Matsumoto, Yotaro; Nobuto, Daisuke; Furuyama, Taniyuki; Yamaguchi, Kentaro; Morokuma, Keiji","Structure and reaction pathway of TMP-Zincate: amido base or alkyl base?","Journal of the American Chemical Society","2006","128","27","8748","8750","10.1021/ja060489h","","","0.71073","MoKα","","0.0468","0.0386","","","0.1123","0.1213","","","","","","1.047","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101525","8.1006","0.0007","12.2801","0.0012","17.1807","0.0016","101.513","0.005","93.354","0.004","98.714","0.004","1648.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H44 O2 P2 Si2 -","- C32 H44 O2 P2 Si2 -","- C64 H88 O4 P4 Si4 -","2","1","","Wright, Vincent A; Patrick, Brian O; Schneider, Celine; Gates, Derek P","Phosphorus copies of PPV: pi-conjugated polymers and molecules composed of alternating phenylene and phosphaalkene moieties.","Journal of the American Chemical Society","2006","128","27","8836","8844","10.1021/ja060816l","","","0.71069","MoKα","","0.0734","0.0416","","","0.0939","0.1025","","","","","","0.923","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101526","9.769","0.0012","9.0886","0.0008","17.49","0.002","90","","94.19","0.004","90","","1548.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 O2 P2 Si2 -","- C30 H40 O2 P2 Si2 -","- C60 H80 O4 P4 Si4 -","2","0.5","","Wright, Vincent A; Patrick, Brian O; Schneider, Celine; Gates, Derek P","Phosphorus copies of PPV: pi-conjugated polymers and molecules composed of alternating phenylene and phosphaalkene moieties.","Journal of the American Chemical Society","2006","128","27","8836","8844","10.1021/ja060816l","","","0.71073","MoKα","","0.0589","0.0475","","","0.1281","0.1378","","","","","","1.05","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101527","7.806","0.001","16.799","0.002","14.801","0.002","90","","101.78","0.01","90","","1900","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 O P Si -","- C19 H25 O P Si -","- C76 H100 O4 P4 Si4 -","4","1","","Wright, Vincent A; Patrick, Brian O; Schneider, Celine; Gates, Derek P","Phosphorus copies of PPV: pi-conjugated polymers and molecules composed of alternating phenylene and phosphaalkene moieties.","Journal of the American Chemical Society","2006","128","27","8836","8844","10.1021/ja060816l","","","0.71073","MoKα","","0.0429","0.0351","","","0.1033","0.1079","","","","","","1.117","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101528","27.7508","0.0005","25.2969","0.0007","13.7923","0.0004","90","","90","","90","","9682.3","0.3","298","","","","","","","","","","Synthetic","2","F m m m","-F 2 2","69","ITQ-27","silicogermanate","","- O38 Si19 -","- O38 Si19 -","- O304 Si152 -","8","0.25","","Dorset, Douglas L; Kennedy, Gordon J; Strohmaier, Karl G; Diaz-Cabañas, Maria J; Rey, Fernando; Corma, Avelino","P-derived organic cations as structure-directing agents: synthesis of a high-silica zeolite (ITQ-27) with a two-dimensional 12-ring channel system.","Journal of the American Chemical Society","2006","128","27","8862","8867","10.1021/ja061206o","powder diffraction","x-ray","0.8702","","","","","","","","","0.11785","","1.95","","","","","","","has coordinates,has Fobs","178761","2020-10-21","18:00:00",""
"4101529","13.8184","0.0004","13.8184","0.0004","10.0456","0.0007","90","","90","","90","","1918.19","0.16","293","2","293","2","","","","","","","","8","I -4 m 2","I -4 -2","119","","","","- Cs H10.84 K N2.71 Rb1.29 S17 Sn5 Zn4 -","- Cs K N2.72 Rb1.292 S17 Sn5 Zn4 -","- Cs2 K2 N5.44 Rb2.584 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.0642","0.0468","","","0.0825","0.0888","","","","","","1.041","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101530","13.829","0.005","13.829","0.005","9.81","0.007","90","","90","","90","","1876","1.5","293","2","293","2","","","","","","","","6","I -4 m 2","I -4 -2","119","","","","- H5.64 K4.59 N1.41 S17 Sn5 Zn4 -","- K4.6 N1.4 S17 Sn5 Zn4 -","- K9.2 N2.8 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.102","0.0685","","","0.1326","0.1634","","","","","","1.078","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101531","13.8142","0.0009","13.8142","0.0009","9.6824","0.0012","90","","90","","90","","1847.7","0.3","293","2","293","2","","","","","","","","6","I -4 m 2","I -4 -2","119","","","","- H4 K5 N S17 Sn5 Zn4 -","- H4 K5 N S17 Sn5 Zn4 -","- H8 K10 N2 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.0719","0.0554","","","0.1239","0.1451","","","","","","1.151","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101532","13.843","0.002","13.843","0.002","9.69","0.003","90","","90","","90","","1856.8","0.7","293","2","293","2","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- Cs K5 S17 Sn5 Zn4 -","- Cs K5 S17 Sn5 Zn4 -","- Cs2 K10 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.0726","0.0682","","","0.1795","0.1817","","","","","","1.274","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101533","13.8455","0.0006","13.8455","0.0006","10.0731","0.0009","90","","90","","90","","1931","0.2","293","2","293","2","","","","","","","","6","I -4 m 2","I -4 -2","119","","","","- H20 K N5 S17 Sn5 Zn4 -","- K1.04 N5 S17 Sn5 Zn4 -","- K2.08 N10 S34 Sn10 Zn8 -","2","0.125","","Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G","Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].","Journal of the American Chemical Society","2006","128","27","8875","8883","10.1021/ja061342t","","","0.71073","MoKα","","0.0272","0.0243","","","0.0786","0.0799","","","","","","1.207","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101534","25.3588","0.0006","14.9668","0.0003","39.4062","0.0009","90","","95.315","0.002","90","","14891.9","0.6","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CeSc2N@C80.NiOEP.2benzene","","","- C128 H56 Ce N5 Ni Sc2 -","- C128 H56 Ce N5 Ni Sc2 -","- C1024 H448 Ce8 N40 Ni8 Sc16 -","8","1","","Wang, Xuelei; Zuo, Tianming; Olmstead, Marilyn M; Duchamp, James C; Glass, Thomas E; Cromer, Frank; Balch, Alan L; Dorn, Harry C","Preparation and structure of CeSc2N@C80: an icosahedral carbon cage enclosing an acentric CeSc2N unit with buried f electron spin.","Journal of the American Chemical Society","2006","128","27","8884","8889","10.1021/ja061434i","","","0.71073","MoKα","","0.0938","0.0444","","","0.0999","0.117","","","","","","1.016","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101535","19.8805","0.001","11.7498","0.0006","31.4557","0.0015","90","","90","","90","","7347.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N2 O10 S4 -","- C36 H36 N2 O10 S4 -","- C288 H288 N16 O80 S32 -","8","1","","Lukin, Oleg; Gramlich, Volker; Kandre, Ramchandra; Zhun, Igor; Felder, Thorsten; Schalley, Christoph A; Dolgonos, Grigoriy","Designer dendrimers: branched oligosulfonimides with controllable molecular architectures.","Journal of the American Chemical Society","2006","128","27","8964","8974","10.1021/ja061606b","","","0.71073","MoKα","","0.1384","0.0572","","","0.1135","0.1217","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101536","6.9331","0.0014","18.493","0.002","19.158","0.003","114.416","0.013","99.884","0.015","96.367","0.013","2157.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 N3 O10 S4 -","- C44 H44 N3 O10 S4 -","- C88 H88 N6 O20 S8 -","2","1","","Lukin, Oleg; Gramlich, Volker; Kandre, Ramchandra; Zhun, Igor; Felder, Thorsten; Schalley, Christoph A; Dolgonos, Grigoriy","Designer dendrimers: branched oligosulfonimides with controllable molecular architectures.","Journal of the American Chemical Society","2006","128","27","8964","8974","10.1021/ja061606b","","","0.71073","MoKα","","0.1056","0.0679","","","0.1565","0.1774","","","","","","1.073","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101537","20.353","0.012","14.477","0.009","12.291","0.008","90","","115.3","0.013","90","","3274","3","114","2","114","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H8 Cl2 Mn3 N24 O12 -","- C46 H8 Cl2 Mn3 N24 O12 -","- C92 H16 Cl4 Mn6 N48 O24 -","2","0.25","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.71073","MoKα","","0.1273","0.0836","","","0.2268","0.2643","","","","","","1.063","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101538","10.491","0.003","16.446","0.005","19.412","0.007","74.64","0.01","82.81","0.01","78.35","0.01","3153.8","1.8","173","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H12 Mn4 N36 O15 -","- C84 H12 Mn4 N36 O15 -","- C84 H12 Mn4 N36 O15 -","1","0.5","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.775","synchrotron","","0.2068","0.1407","","","0.3373","0.393","","","","","","1.033","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101539","11.5713","0.0019","11.736","0.002","13.619","0.002","92.869","0.013","114.443","0.014","107.988","0.015","1567.4","0.5","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H55 N29 O8 Zn3 -","- C45 H32 N30 O11 Zn3 -","- C45 H32 N30 O11 Zn3 -","1","0.5","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.71073","MoKα","","0.0911","0.0684","","","0.2028","0.2155","","","","","","1.064","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101540","11.693","0.003","11.994","0.005","13.753","0.003","92.97","0.03","114.36","0.02","108.354","0.017","1630.5","0.8","159","2","159","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H12 Mn3 N29 O10 -","- C39 H12 Mn3 N29 O10 -","- C39 H12 Mn3 N29 O10 -","1","0.5","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.71073","MoKα","","0.1353","0.0851","","","0.2519","0.2811","","","","","","1.07","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101541","33.018","0.007","33.018","0.007","8.603","0.001","90","","90","","120","","8123","3","176","2","176","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C20.4 H6 Cl3 Mn3 N14.4 O13.32 -","- C20.4 H6 Cl3 Mn3 N14.4 O13.3 -","- C122.4 H36 Cl18 Mn18 N86.4 O79.8 -","6","0.333333","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.71073","MoKα","","0.1107","0.0582","","","0.1467","0.154","","","","","","0.745","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101542","22.34","0.004","7.079","0.001","13.644","0.003","90","","90","","90","","2157.6","0.7","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C23 H8 Cu2 N18 O8 -","- C23 H8 Cu2 N18 O8 -","- C46 H16 Cu4 N36 O16 -","2","0.125","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.775","Synchrotron","","0.0662","0.0613","","","0.1885","0.1937","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101543","16.3151","0.0002","16.4521","0.0003","16.5118","0.0003","90","","90","","90","","4432.06","0.13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 F2 I2 P2 Pt -","- C18 H24 F2 I2 P2 Pt -","- C144 H192 F16 I16 P16 Pt8 -","8","1","","Yahav-Levi, Anette; Goldberg, Israel; Vigalok, Arkadi","Aryl-halide versus aryl-aryl reductive elimination in Pt(IV)-phosphine complexes.","Journal of the American Chemical Society","2006","128","27","8710","8711","10.1021/ja062166r","","","0.71073","MoKα","","0.0558","0.0389","","","0.086","0.0932","","","","","","1.083","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101544","6.1079","0.0012","8.0645","0.0016","21.987","0.004","90.455","0.003","97.882","0.004","92.898","0.004","1071.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 Cl O -","- C28 H23 Cl O -","- C56 H46 Cl2 O2 -","2","1","","Nair, Vijay; Vellalath, Sreekumar; Poonoth, Manojkumar; Suresh, Eringathodi","N-heterocyclic carbene-catalyzed reaction of chalcones and enals via homoenolate: an efficient synthesis of 1,3,4-trisubstituted cyclopentenes.","Journal of the American Chemical Society","2006","128","27","8736","8737","10.1021/ja0625677","","","0.71073","MoKα","","0.1246","0.0602","","","0.1304","0.1627","","","","","","1.011","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101545","9.8167","0.0007","10.4061","0.0007","14.878","0.001","104.959","0.001","91.728","0.001","105.962","0.001","1403.33","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cl2 N4 O2 S3 -","- C27 H24 Cl2 N4 O2 S3 -","- C54 H48 Cl4 N8 O4 S6 -","2","1","","Casado, Juan; Zgierski, Marek Z; Ewbank, Paul C; Burand, Michael W; Janzen, Daron E; Mann, Kent R; Pappenfus, Ted M; Berlin, Anna; Pérez-Inestrosa, Ezequiel; Ortiz, Rocío Ponce; López Navarrete, Juan T","Exploration of ground and excited electronic states of aromatic and quinoid S,S-dioxide terthiophenes. Complementary systems for enhanced electronic organic materials.","Journal of the American Chemical Society","2006","128","31","10134","10144","10.1021/ja061372w","","","0.71073","MoKα","","0.0525","0.0375","","","0.0754","0.08","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101546","15.412","0.002","15.412","0.002","10.678","0.002","90","","90","","120","","2196.5","0.6","110","2","110","2","","","","","","","","3","R -3 :H","-R 3","148","Compound1","","","- Co Gd7 I12 -","- Co Gd7 I12 -","- Co3 Gd21 I36 -","3","0.166667","","Sweet, Lucas E; Roy, Lindsay E; Meng, Fanqin; Hughbanks, Timothy","Ferromagnetic coupling in hexanuclear gadolinium clusters.","Journal of the American Chemical Society","2006","128","31","10193","10201","10.1021/ja0617690","","","0.71073","MoKα","","0.0282","0.0247","","","0.0492","0.0503","","","","","","1.191","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101547","10.7528","0.0002","20.0172","0.0003","16.6282","0.0003","90","","102.654","0.001","90","","3492.1","0.1","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 Si -","- C46 H38 Si -","- C184 H152 Si4 -","4","1","","Sartin, Matthew M; Boydston, Andrew J; Pagenkopf, Brian L; Bard, Allen J","Electrochemistry, spectroscopy, and electrogenerated chemiluminescence of silole-based chromophores.","Journal of the American Chemical Society","2006","128","31","10163","10170","10.1021/ja0618494","","","0.71073","MoKα","","0.1254","0.0523","","","0.1077","0.1309","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101548","14.5294","0.0005","13.9634","0.0006","22.6549","0.001","90","","107.056","0.003","90","","4394.1","0.3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C58 H46 Si -","- C58 H46 Si -","- C232 H184 Si4 -","4","2","","Sartin, Matthew M; Boydston, Andrew J; Pagenkopf, Brian L; Bard, Allen J","Electrochemistry, spectroscopy, and electrogenerated chemiluminescence of silole-based chromophores.","Journal of the American Chemical Society","2006","128","31","10163","10170","10.1021/ja0618494","","","0.71073","MoKα","","0.198","0.1006","","","0.1582","0.1833","","","","","","1.324","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101549","10.656","0.005","12.32","0.005","39.125","0.005","90","0.005","95.485","0.005","90","0.005","5113","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Cl Mo N16 Ni2 O10 -","- C38 H48 Cl Mo N16 Ni2 O10 -","- C152 H192 Cl4 Mo4 N64 Ni8 O40 -","4","1","","Visinescu, Diana; Desplanches, Cédric; Imaz, Inhar; Bahers, Vincent; Pradhan, Rabindranath; Villamena, Frederick A; Guionneau, Philippe; Sutter, Jean-Pascal","Evidence for increased exchange interactions with 5d compared to 4d metal ions. Experimental and theoretical insights into the ferromagnetic interactions of a series of trinuclear [{M(CN)8}3-/NiII] compounds (M = MoV or WV).","Journal of the American Chemical Society","2006","128","31","10202","10212","10.1021/ja061911x","","","0.71069","MoKα","","0.1093","0.0488","","","0.0981","0.1167","","","","","","1.016","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101550","10.668","0.001","12.301","0.001","39.293","0.004","90","","95.53","0.03","90","","5132.2","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Cl N16 Ni2 O9 W -","- C38 H54 Cl N16 Ni2 O9 W -","- C152 H216 Cl4 N64 Ni8 O36 W4 -","4","1","","Visinescu, Diana; Desplanches, Cédric; Imaz, Inhar; Bahers, Vincent; Pradhan, Rabindranath; Villamena, Frederick A; Guionneau, Philippe; Sutter, Jean-Pascal","Evidence for increased exchange interactions with 5d compared to 4d metal ions. Experimental and theoretical insights into the ferromagnetic interactions of a series of trinuclear [{M(CN)8}3-/NiII] compounds (M = MoV or WV).","Journal of the American Chemical Society","2006","128","31","10202","10212","10.1021/ja061911x","","","0.71073","MoKα","","0.0823","0.0559","","","0.1768","0.224","","","","","","1.209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101551","14.2074","0.0002","14.2074","0.0002","31.2302","0.0009","90","","90","","120","","5459.27","0.19","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIL-96 (Al)","","","- C6 H2 Al1.56 O7.33 -","- C6 H2 Al1.55333 O7.32667 -","- C108 H36 Al27.96 O131.88 -","18","0.75","","Loiseau, Thierry; Lecroq, Ludovic; Volkringer, Christophe; Marrot, Jérôme; Férey, Gérard; Haouas, Mohamed; Taulelle, Francis; Bourrelly, Sandrine; Llewellyn, Philip L; Latroche, Michel","MIL-96, a porous aluminum trimesate 3D structure constructed from a hexagonal network of 18-membered rings and mu3-oxo-centered trinuclear units.","Journal of the American Chemical Society","2006","128","31","10223","10230","10.1021/ja0621086","","","0.71073","MoKα","","0.0717","0.0509","","","0.1578","0.1807","","","","","","1.139","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101552","13.232","0.005","13.929","0.005","18.537","0.005","77.893","0.005","90.229","0.005","67.596","0.005","3075","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H39 B N2 -","- C38 H39 B N2 -","- C152 H156 B4 N8 -","4","2","","Goze, Christine; Ulrich, Gilles; Mallon, Laura J; Allen, Ben D; Harriman, Anthony; Ziessel, Raymond","Synthesis and photophysical properties of borondipyrromethene dyes bearing aryl substituents at the boron center.","Journal of the American Chemical Society","2006","128","31","10231","10239","10.1021/ja062405a","","","0.71069","MoKα","","0.0935","0.0657","","","0.1781","0.2042","","","","","","1.036","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101553","19.7197","0.0003","12.8542","0.0002","22.0126","0.0005","90","","99.871","0.005","90","","5497.2","0.2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 B N2 O2 -","- C32 H39 B N2 O2 -","- C256 H312 B8 N16 O16 -","8","1","","Goze, Christine; Ulrich, Gilles; Mallon, Laura J; Allen, Ben D; Harriman, Anthony; Ziessel, Raymond","Synthesis and photophysical properties of borondipyrromethene dyes bearing aryl substituents at the boron center.","Journal of the American Chemical Society","2006","128","31","10231","10239","10.1021/ja062405a","","","0.71073","Mo-Kα","","0.12","0.061","","0.202","","0.069","","","1.589","","","1.031","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101554","35.642","0.005","35.642","0.005","6.665","0.0005","90","","90","","120","","7332.5","1.6","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","7,7-Diallyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid","","- C15 H26 O6 -","- C15 H24 O5.754 -","- C270 H432 O103.572 -","18","1","","Febles, Martín; Pérez-Hernandez, Natalia; Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Roux, María Victoria; Morales, Ezequiel Q; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Martín, Julio D","Distinct dynamic behaviors of water molecules in hydrated pores.","Journal of the American Chemical Society","2006","128","31","10008","10009","10.1021/ja063223j","","","0.71073","MoKα","","0.1314","0.1113","","","0.3158","0.3377","","","","","","1.041","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101555","35.405","0.005","35.405","0.005","6.626","0.0005","90","","90","","120","","7193","1.4","170","2","170","2","","","","","","","","3","R -3 :H","-R 3","148","","7,7-Diallyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid","","- C15 H26 O6 -","- C15 H24 O5.802 -","- C270 H432 O104.436 -","18","1","","Febles, Martín; Pérez-Hernandez, Natalia; Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Roux, María Victoria; Morales, Ezequiel Q; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Martín, Julio D","Distinct dynamic behaviors of water molecules in hydrated pores.","Journal of the American Chemical Society","2006","128","31","10008","10009","10.1021/ja063223j","","","0.71073","MoKα","","0.1128","0.0909","","","0.2387","0.2544","","","","","","1.081","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101556","35.348","0.005","35.348","0.005","6.6096","0.0006","90","","90","","120","","7152","1.7","115","2","115","2","","","","","","","","3","R -3 :H","-R 3","148","","7,7-Diallyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid","","- C15 H26 O6 -","- C15 H24 O5.82317 -","- C270 H432 O104.817 -","18","1","","Febles, Martín; Pérez-Hernandez, Natalia; Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Roux, María Victoria; Morales, Ezequiel Q; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Martín, Julio D","Distinct dynamic behaviors of water molecules in hydrated pores.","Journal of the American Chemical Society","2006","128","31","10008","10009","10.1021/ja063223j","","","0.71073","MoKα","","0.1","0.0846","","","0.1819","0.1916","","","","","","1.089","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101557","12.154","0.005","16.218","0.007","16.684","0.007","75.872","0.006","79.373","0.008","89.993","0.008","3131","2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H47 O3 P2 Te W -","- C27 H47 O3 P2 Te W -","- C108 H188 O12 P8 Te4 W4 -","4","2","","McDonough, James E; Weir, John J; Sukcharoenphon, Kengkaj; Hoff, Carl D; Kryatova, Olga P; Rybak-Akimova, Elena V; Scott, Brian L; Kubas, Gregory J; Mendiratta, Arjun; Cummins, Christopher C","Comparison of thermodynamic and kinetic aspects of oxidative addition of PhE-EPh (E = S, Se, Te) to Mo(CO)3(PR3)2, W(CO)3(PR3)2, and Mo(N[tBu]Ar)3 complexes. The role of oxidation state and ancillary ligands in metal complex induced chalcogenyl radical generation.","Journal of the American Chemical Society","2006","128","31","10295","10303","10.1021/ja063250+","","","0.71073","MoKα","","0.1043","0.084","","","0.1985","0.2119","","","","","","1.201","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101558","3.96358","0.00002","3.96358","0.00002","8.51222","0.00007","90","","90","","90","","133.727","0.001","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","?","- Fe2 La2 O2 P2 -","- Fe2 La2 O2 P2 -","","","","Kamihara, Yoichi; Hiramatsu, Hidenori; Hirano, Masahiro; Kawamura, Ryuto; Yanagi, Hiroshi; Kamiya, Toshio; Hosono, Hideo","Iron-based layered superconductor: LaOFeP.","Journal of the American Chemical Society","2006","128","31","10012","10013","10.1021/ja063355c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101559","6.327","0.0002","36.536","0.001","14.262","0.0005","90","","90.552","0.003","90","","3296.7","0.18","10","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H14 P Pd2 S20 -","- C17 H14 P Pd2 S20 -","- C68 H56 P4 Pd8 S80 -","4","1","","Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi","Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.","Journal of the American Chemical Society","2006","128","31","10016","10017","10.1021/ja063525l","","","0.7107","MoKα","","","0.063","","","","0.189","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101560","6.3962","0.0003","36.6911","0.0005","7.929","0.0003","90","","114.302","0.002","90","","1695.92","0.1","297","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H14 P Pd2 S20 -","- C17 H14 P Pd2 S20 -","- C34 H28 P2 Pd4 S40 -","2","0.5","","Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi","Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.","Journal of the American Chemical Society","2006","128","31","10016","10017","10.1021/ja063525l","","","0.7107","MoKα","","","0.0332","","","","0.0909","","","","","","1.047","","","","has coordinates","134499","2020-10-21","18:00:00",""
"4101561","6.333","0.0003","7.793","0.0004","37.267","0.002","96.164","0.003","90.982","0.004","113.079","0.003","1678.72","0.15","150","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 As Pd2 S20 -","- C17 H14 As Pd2 S20 -","- C34 H28 As2 Pd4 S40 -","2","1","","Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi","Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.","Journal of the American Chemical Society","2006","128","31","10016","10017","10.1021/ja063525l","","","0.7107","MoKα","","","0.0653","","","","0.1723","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101562","14.47","0.003","6.3779","0.0011","37.304","0.007","90","","97.011","0.002","90","","3417.1","1.1","297","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 As Pd2 S20 -","- C17 H14 As Pd2 S20 -","- C68 H56 As4 Pd8 S80 -","4","0.5","","Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi","Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.","Journal of the American Chemical Society","2006","128","31","10016","10017","10.1021/ja063525l","","","0.7107","MoKα","","","0.0317","","","","0.0827","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101563","10.2186","0.0017","22.041","0.003","35.814","0.006","90","","92.536","0.007","90","","8058","2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H30 N4 O Zn -","- C50.185 H30 N4 O0.815 Zn -","- C401.48 H240 N32 O6.52 Zn8 -","8","2","","Maeda, Hiromitsu; Hasegawa, Masahiro; Hashimoto, Takashi; Kakimoto, Takuya; Nishio, Satoru; Nakanishi, Takashi","Nanoscale spherical architectures fabricated by metal coordination of multiple dipyrrin moieties.","Journal of the American Chemical Society","2006","128","31","10024","10025","10.1021/ja0637301","","","0.71075","MoKα","","0.1403","0.0782","","","0.1852","0.2178","","","","","","1.035","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101564","25.226","0.005","14.078","0.003","28.556","0.006","90","","90","","90","","10141","3","173","2","173","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C50.5 H74 F3 Fe N O4 P2 Pd S -","- C50.5 H73 F3 Fe N O4 P2 Pd S -","- C404 H584 F24 Fe8 N8 O32 P16 Pd8 S8 -","8","1","","Shen, Qilong; Hartwig, John F","Palladium-catalyzed coupling of ammonia and lithium amide with aryl halides.","Journal of the American Chemical Society","2006","128","31","10028","10029","10.1021/ja064005t","","","0.71073","MoKα","","0.0907","0.0525","","","0.1356","0.1519","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101565","12.365","0.0013","10.4112","0.0007","22.0747","0.0016","90","","115.171","0.006","90","","2571.9","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 O12 -","- C24 H36 O12 -","- C96 H144 O48 -","4","1","","Hamura, Toshiyuki; Ibusuki, Yousuke; Uekusa, Hidehiro; Matsumoto, Takashi; Siegel, Jay S; Baldridge, Kim K; Suzuki, Keisuke","Dodecamethoxy- and hexaoxotricyclobutabenzene: synthesis and characterization.","Journal of the American Chemical Society","2006","128","31","10032","10033","10.1021/ja064063e","","","0.71073","MoKα","","0.057","0.0472","","","0.117","0.1218","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101566","39.1329","0.0007","9.8179","0.0002","21.5984","0.0005","90","","102.711","0.001","90","","8094.8","0.3","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H53 N9 O4 -","- C40 H53 N9 O4 -","- C320 H424 N72 O32 -","8","1","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.71073","MoKα","","0.2014","0.0546","","","0.0856","0.1069","","","","","","1.051","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101567","18.1048","0.0004","9.9834","0.0002","22.5666","0.0005","90","","104.564","0.002","90","","3947.79","0.15","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H51 N7 O4 S2 -","- C38 H51 N7 O4 S2 -","- C152 H204 N28 O16 S8 -","4","1","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.71073","MoKα","","0.1643","0.054","","","0.0955","0.1215","","","","","","0.947","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101568","10.4478","0.0002","32.249","0.0006","10.6105","0.0002","90","","112.259","0.001","90","","3308.6","0.11","268","2","268","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 N4 O2 S2 -","- C32 H48 N4 O2 S2 -","- C128 H192 N16 O8 S8 -","4","2","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.71073","MoKα","","0.1296","0.0709","","","0.1558","0.1843","","","","","","1","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101569","10.4865","0.0003","16.8082","0.0005","19.0923","0.0006","91.479","0.002","102.499","0.002","104.159","0.002","3174.58","0.16","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H80 N14 O -","- C70 H80 N14 O -","- C140 H160 N28 O2 -","2","1","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.71073","MoKα","","0.2238","0.0717","","","0.1173","0.1555","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101570","25.352","0.001","10.221","0.0004","26.347","0.0013","90","","99.424","0.0018","90","","6735","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N6 O2 -","- C37 N7 O -","- C296 N56 O8 -","8","2","","Nishiyabu, Ryuhei; Palacios, Manuel A; Dehaen, Wim; Anzenbacher, Jr, Pavel","Synthesis, structure, anion binding, and sensing by calix[4]pyrrole isomers.","Journal of the American Chemical Society","2006","128","35","11496","11504","10.1021/ja0622150","","","0.7107","MoKα","","0.4852","0.2051","","","0.258","0.3176","","","","","","1.888","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101571","10.232","0.019","14.05","0.03","14.11","0.03","106.28","0.03","96.25","0.04","91.27","0.04","1932","6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 Cl O2 -","- C23 H17 Cl O2 -","- C92 H68 Cl4 O8 -","4","2","","Liu, Yuanhong; Song, Feijie; Guo, Shenghai","Cleavage of a carbon-carbon triple bond via gold-catalyzed cascade cyclization/oxidative cleavage reactions of (Z)-enynols with molecular oxygen.","Journal of the American Chemical Society","2006","128","35","11332","11333","10.1021/ja062610q","","","0.71073","MoKα","","0.1429","0.065","","","0.1587","0.1804","","","","","","0.764","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101572","11.087","0.004","14.064","0.005","9.473","0.004","90","","96.733","0.007","90","","1466.9","1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N O3 -","- C15 H27 N O3 -","- C60 H108 N4 O12 -","4","1","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.0614","0.0401","","","0.0937","0.1022","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101573","6.2685","0.0013","12.772","0.003","7.5043","0.0015","90","","111.517","0.004","90","","558.93","0.19","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H22 B N -","- C12 H22 B N -","- C24 H44 B2 N2 -","2","1","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.0846","0.0423","","","0.0494","0.0558","","","","","","0.976","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101574","16.734","0.011","8.442","0.006","21.245","0.014","90","","97.969","0.011","90","","2972","3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N O3 -","- C15 H27 N O3 -","- C120 H216 N8 O24 -","8","2","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.1108","0.0457","","","0.0824","0.0994","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101575","9.992","0.003","11.664","0.003","11.986","0.003","67.826","0.004","66.443","0.004","71.059","0.004","1160.7","0.5","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H25 Br2 N O3 -","- C25 H25 Br2 N O3 -","- C50 H50 Br4 N2 O6 -","2","2","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.0811","0.0572","","","0.1312","0.1428","","","","","","0.983","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101576","14.355","0.002","6.3934","0.0011","12.899","0.002","90","","114.826","0.003","90","","1074.5","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 B N O0.09 -","- C11 H20 B N O0.087 -","- C44 H80 B4 N4 O0.348 -","4","1","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.168","0.0395","","","0.0523","0.0689","","","","","","0.763","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101577","6.257","0.003","14.424","0.006","12.596","0.005","90","","91.932","0.008","90","","1136.2","0.9","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 B F3 N -","- C11 H17 B F3 N -","- C44 H68 B4 F12 N4 -","4","1","","Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A","Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.","Journal of the American Chemical Society","2006","128","35","11620","11630","10.1021/ja0632759","","","0.71073","MoKα","","0.2269","0.0728","","","0.1795","0.2237","","","","","","0.907","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4101578","4.8131","0.0006","6.4288","0.0008","7.0223","0.0009","83.369","0.002","71.623","0.002","73.364","0.002","197.5","0.04","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- B4 Cu Li6 O10 -","- B4 Cu Li6 O10 -","- B4 Cu Li6 O10 -","1","1","","Pan, Shilie; Smit, Jared P; Watkins, Byron; Marvel, Michael R; Stern, Charlotte L; Poeppelmeier, Kenneth R","Synthesis, crystal structure, and nonlinear optical properties of Li6CuB4O10: a congruently melting compound with isolated [CuB4O10]6- units.","Journal of the American Chemical Society","2006","128","35","11631","11634","10.1021/ja0633114","","","0.71073","MoKα","","0.0625","0.0546","","","0.1369","0.1471","","","","","","1.084","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101579","11.725","0.0003","13.025","0.0006","18.709","0.0008","75.877","0.002","87.714","0.003","68.845","0.002","2580.44","0.18","120","","120","","","","","","","","","4","P -1","-P 1","2","","(t-Bu2MeSi)2Sn-Sn(SiMet-Bu2)2C(Ph)=CH","","- C44 H90 Si4 Sn2 -","- C44 H90 Si4 Sn2 -","- C88 H180 Si8 Sn4 -","2","1","","Lee, Vladimir Ya; Fukawa, Tomohide; Nakamoto, Masaaki; Sekiguchi, Akira; Tumanskii, Boris L; Karni, Miriam; Apeloig, Yitzhak","(tBu2MeSi)2Sn=Sn(SiMetBu2)2: a distannene with a >Sn=Sn< double bond that is stable both in the solid state and in solution.","Journal of the American Chemical Society","2006","128","35","11643","11651","10.1021/ja063322x","","","0.7107","MoKα","","0.0422","0.0335","","","0.0881","0.0914","","","","","","1.034","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4101580","14.5782","0.0013","15.0328","0.0014","19.725","0.002","85.231","0.002","89.668","0.002","62.199","0.002","3807.9","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","(Tb~3~N@C~84~)(Ni(OEP) · 2 benzene","(μ ~3~-Nitrido)-η ^6^, η^4^,η^5^-C84 Fullerene)-triterbium (2,3,7,8,12,13,17,18-octaethylporphyrinato)nickel(II) benzene disolvate","","- C132 H56 N5 Ni Tb3 -","- C132 H56 N5 Ni Tb3 -","- C264 H112 N10 Ni2 Tb6 -","2","1","","Beavers, Christine M; Zuo, Tianming; Duchamp, James C; Harich, Kim; Dorn, Harry C; Olmstead, Marilyn M; Balch, Alan L","Tb3N@C84: an improbable, egg-shaped endohedral fullerene that violates the isolated pentagon rule.","Journal of the American Chemical Society","2006","128","35","11352","11353","10.1021/ja063636k","","","0.71073","MoKα","","0.0912","0.047","","","0.0925","0.0976","","","","","","0.814","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101581","11.605","0.003","24.573","0.005","12.733","0.003","90","","114.407","0.004","90","","3306.5","1.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{[4-Me3Si-2,6-(2,6-iPr2-C6H3)2-C6H2]Sn}2","","- C70 H100 O Si2 Sn2 -","- C70 H100 O Si2 Sn2 -","- C140 H200 O2 Si4 Sn4 -","2","0.5","","Fischer, Roland C; Pu, Lihung; Fettinger, James C; Brynda, Marcin A; Power, Philip P","Very large changes in bond length and bond angle in a heavy group 14 element alkyne analogue by modification of a remote ligand substituent.","Journal of the American Chemical Society","2006","128","35","11366","11367","10.1021/ja0637090","","","0.71073","MoKα","","0.1111","0.0557","","","0.1099","0.1246","","","","","","1.002","","","","has coordinates,has disorder","178761","2020-10-21","18:00:00",""
"4101582","16.7809","0.0008","20.8853","0.001","8.7101","0.0004","90","","95.594","0.003","90","","3038.1","0.2","118.1","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C52 H34 F24 N4 O16 Ru4 -","- C52 H52 F24 N4 O16 Ru4 -","- C104 H104 F48 N8 O32 Ru8 -","2","0.25","","Miyasaka, Hitoshi; Izawa, Toru; Takahashi, Nao; Yamashita, Masahiro; Dunbar, Kim R","Long-range ordered magnet of a charge-transfer Ru2(4+)/TCNQ two-dimensional network compound.","Journal of the American Chemical Society","2006","128","35","11358","11359","10.1021/ja063963s","","","0.7107","MoKα","","","0.0452","","","","0.1523","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101583","17.542","0.014","20.644","0.016","8.788","0.007","90","","96.627","0.013","90","","3161","4","117.1","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C52 H30 F28 N4 O16 Ru4 -","- C49.92 H45 F28 N4 O16 Ru4 -","- C99.84 H90 F56 N8 O32 Ru8 -","2","0.25","","Miyasaka, Hitoshi; Izawa, Toru; Takahashi, Nao; Yamashita, Masahiro; Dunbar, Kim R","Long-range ordered magnet of a charge-transfer Ru2(4+)/TCNQ two-dimensional network compound.","Journal of the American Chemical Society","2006","128","35","11358","11359","10.1021/ja063963s","","","0.7107","MoKα","","","0.0678","","","","0.1277","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101584","8.37","0.0003","21.881","0.001","10.1712","0.0006","90","","103.659","0.003","90","","1810.1","0.2","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O2 S2 -","- C19 H24 O2 S2 -","- C76 H96 O8 S8 -","4","1","","Kuninobu, Yoichiro; Kawata, Atsushi; Takai, Kazuhiko","Efficient catalytic insertion of acetylenes into a carbon-carbon single bond of nonstrained cyclic compounds under mild conditions.","Journal of the American Chemical Society","2006","128","35","11368","11369","10.1021/ja064022i","","","0.7107","MoKα","","","0.0743","","","","0.244","","","","","","2.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101585","9.8591","0.0014","10.3245","0.0015","11.3684","0.0017","102.549","0.002","102.129","0.002","117.555","0.002","934.7","0.2","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O4 -","- C23 H20 O4 -","- C46 H40 O8 -","2","1","","Lian, Jian-Jou; Chen, Po-Chiang; Lin, Yau-Ping; Ting, Hao-Chun; Liu, Rai-Shung","Gold-catalyzed intramolecular [3 + 2]-cycloaddition of arenyne-yne functionalities.","Journal of the American Chemical Society","2006","128","35","11372","11373","10.1021/ja0643826","","","0.71073","MoKα","","0.0596","0.0501","","","0.1488","0.1553","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101768","28.793","0.0014","16.7444","0.0008","29.2296","0.0014","90","","116.024","0.001","90","","12663.4","1.1","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C76 H160 K4 N12 Ni2 O24 Sn17 -","- C76 H159.98 K4 N12 Ni2 O24 Sn17 -","- C304 H639.92 K16 N48 Ni8 O96 Sn68 -","4","0.5","","Esenturk, Emren N; Fettinger, James C; Eichhorn, Bryan W","Synthesis, structure, and dynamic properties of [Ni2Sn17]4-.","Journal of the American Chemical Society","2006","128","1","12","13","10.1021/ja055379+","","","0.71073","MoKα","","0.0271","0.0223","","","0.0543","0.0563","","","","","","1.072","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4110327","11.631","0.002","9.4534","0.0018","8.2775","0.0016","90","","107.643","0.003","90","","867.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 O2 -","- C8 H18 O2 -","- C32 H72 O8 -","4","1","","Matthew B. Boxer; Hisashi Yamamoto","Tris(trimethylsilyl)silyl-Governed Aldehyde Cross-Aldol Cascade Reaction","Journal of the American Chemical Society","2006","128","","48","49","10.1021/ja054725k","","","0.71073","MoKα","","0.0453","0.0424","","","0.1177","0.1205","","","","","","1.048","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110328","10.08","0.003","22.194","0.006","26.478","0.007","66.357","0.004","89.047","0.005","88.998","0.005","5425","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H160 N4 O10 S2 Si16 -","- C72 H160 N4 O10 S2 Si16 -","- C144 H320 N8 O20 S4 Si32 -","2","1","","Matthew B. Boxer; Hisashi Yamamoto","Tris(trimethylsilyl)silyl-Governed Aldehyde Cross-Aldol Cascade Reaction","Journal of the American Chemical Society","2006","128","","48","49","10.1021/ja054725k","","","0.71073","MoKα","","0.1683","0.1058","","","0.2316","0.2612","","","","","","1.12","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110329","9.703","0.002","14.181","0.004","20.077","0.005","73.779","0.004","88.715","0.005","75.953","0.004","2570.2","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H78 N2 O5 S Si8 -","- C34 H78 N2 O5 S Si8 -","- C68 H156 N4 O10 S2 Si16 -","2","1","","Matthew B. Boxer; Hisashi Yamamoto","Tris(trimethylsilyl)silyl-Governed Aldehyde Cross-Aldol Cascade Reaction","Journal of the American Chemical Society","2006","128","","48","49","10.1021/ja054725k","","","0.71073","MoKα","","0.0846","0.0534","","","0.0959","0.1048","","","","","","0.942","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110330","9.803","0.004","22.251","0.009","27.639","0.011","109.7","0.007","98.805","0.007","91.992","0.007","5585","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H80 N2 O6 S Si8 -","- C39 H80 N2 O6 S Si8 -","- C156 H320 N8 O24 S4 Si32 -","4","2","","Matthew B. Boxer; Hisashi Yamamoto","Tris(trimethylsilyl)silyl-Governed Aldehyde Cross-Aldol Cascade Reaction","Journal of the American Chemical Society","2006","128","","48","49","10.1021/ja054725k","","","0.71073","MoKα","","0.15","0.0811","","","0.1378","0.1629","","","","","","0.983","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110331","4.82","0.0001","15.6821","0.0002","11.5593","0.0002","90","","94.141","0.001","90","","871.46","0.03","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 O2 S2 -","- C8 H8 O2 S2 -","- C32 H32 O8 S8 -","4","1","","Eli Zysman-Colman; Neysa Nevins; Nicolas Eghbali; James P. Snyder; David N. Harpp","Crossover Point between Dialkoxy Disulfides (ROSSOR) and Thionosulfites ((RO)2SS): Prediction, Synthesis, and Structure","Journal of the American Chemical Society","2006","128","","291","304","10.1021/ja0559395","","","1.54178","CuKα","","0.0473","0.0382","","","0.1037","0.1078","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110332","7.8807","0.0005","15.024","0.0008","7.2198","0.0004","90","","93.278","0.004","90","","853.42","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O2 S2 -","- C8 H8 O2 S2 -","- C32 H32 O8 S8 -","4","1","","Eli Zysman-Colman; Neysa Nevins; Nicolas Eghbali; James P. Snyder; David N. Harpp","Crossover Point between Dialkoxy Disulfides (ROSSOR) and Thionosulfites ((RO)2SS): Prediction, Synthesis, and Structure","Journal of the American Chemical Society","2006","128","","291","304","10.1021/ja0559395","","","1.54178","CuKα","","0.0399","0.039","","","0.1174","0.1187","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110333","11.2787","0.0002","8.8934","0.0002","16.4636","0.0003","90","","90","","90","","1651.4","0.06","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O3 S -","- C8 H8 O3 S -","- C64 H64 O24 S8 -","8","1","","Eli Zysman-Colman; Neysa Nevins; Nicolas Eghbali; James P. Snyder; David N. Harpp","Crossover Point between Dialkoxy Disulfides (ROSSOR) and Thionosulfites ((RO)2SS): Prediction, Synthesis, and Structure","Journal of the American Chemical Society","2006","128","","291","304","10.1021/ja0559395","","","1.54178","CuKα","","0.0434","0.0372","","","0.0954","0.0997","","","","","","1.004","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110334","13.5485","0.0002","14.9235","0.0002","4.3766","0.0001","90","","90","","90","","884.91","0.03","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P b a 2","P 2 -2ab","32","","","","- C16 H16 O4 S4 -","- C16 H16 O4 S4 -","- C32 H32 O8 S8 -","2","0.5","","Eli Zysman-Colman; Neysa Nevins; Nicolas Eghbali; James P. Snyder; David N. Harpp","Crossover Point between Dialkoxy Disulfides (ROSSOR) and Thionosulfites ((RO)2SS): Prediction, Synthesis, and Structure","Journal of the American Chemical Society","2006","128","","291","304","10.1021/ja0559395","","","1.54178","CuKα","","0.0423","0.0382","","","0.1013","0.1031","","","","","","1.039","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110335","8.628","0.002","12.607","0.003","15.573","0.004","76.061","0.004","77.347","0.003","75.608","0.003","1569.5","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(2-sec-butylphenolato)- {hydrotris(3-isopropylpyrazol-1-yl)borato}- oxothiomolybdenum(VI)","","- C28 H41 B Mo N6 O2 S -","- C28 H40 B Mo N6 O2 S -","- C56 H80 B2 Mo2 N12 O4 S2 -","2","1","","Christian J. Doonan; David J. Nielsen; Paul D. Smith; Jonathan M. White; Graham N. George; Charles G. Young","Models for the Molybdenum Hydroxylases: Synthesis, Characterization and Reactivity of cis-Oxosulfido-Mo(VI) Complexes","Journal of the American Chemical Society","2006","128","","305","316","10.1021/ja056109u","","","0.71073","MoKα","","0.0877","0.0553","","","0.1252","0.135","","","","","","0.909","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110336","8.5722","0.001","13.0096","0.0015","14.568","0.0018","81.325","0.003","85.151","0.002","80.16","0.003","1579.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(2-tert-butylphenolato)- {hydrotris(3-isopropylpyrazol-1-yl)borato}- oxothiomolybdenum(VI)","","- C28 H41 B Mo N6 O2 S -","- C28 H41 B Mo N6 O2 S -","- C56 H82 B2 Mo2 N12 O4 S2 -","2","1","","Christian J. Doonan; David J. Nielsen; Paul D. Smith; Jonathan M. White; Graham N. George; Charles G. Young","Models for the Molybdenum Hydroxylases: Synthesis, Characterization and Reactivity of cis-Oxosulfido-Mo(VI) Complexes","Journal of the American Chemical Society","2006","128","","305","316","10.1021/ja056109u","","","0.71073","MoKα","","0.0891","0.0706","","","0.1216","0.1296","","","","","","1.152","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110337","23.424","0.003","8.537","0.001","35.313","0.004","90","","93.073","0.002","90","","7051.4","1.5","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","{hydrotris(3-isopropylpyrazol-1-yl)borato}- oxo(4-phenylphenolato)thiomolybdenum(VI)","","- C33 H41.5 B Mo N7.5 O2 S -","- C33 H37 B Mo N7.5 O2 S -","- C264 H296 B8 Mo8 N60 O16 S8 -","8","1","","Christian J. Doonan; David J. Nielsen; Paul D. Smith; Jonathan M. White; Graham N. George; Charles G. Young","Models for the Molybdenum Hydroxylases: Synthesis, Characterization and Reactivity of cis-Oxosulfido-Mo(VI) Complexes","Journal of the American Chemical Society","2006","128","","305","316","10.1021/ja056109u","","","0.71073","MoKα","","0.0758","0.0747","","","0.1625","0.163","","","","","","1.449","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110338","11.544","0.003","11.58","0.003","17.527","0.004","80.907","0.005","70.853","0.005","80.146","0.004","2167.6","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","mu-disulfidobis[(3,5-di-tert-butylphenolato)- {hydrotris(3-isopropylpyrazol-1-yl)borato}- oxomolybdenum(V)]","","- C38 H49 B Mo N6 O2 S -","- C38.245 H49 B Mo N6 O2 S -","- C76.49 H98 B2 Mo2 N12 O4 S2 -","2","1","","Christian J. Doonan; David J. Nielsen; Paul D. Smith; Jonathan M. White; Graham N. George; Charles G. Young","Models for the Molybdenum Hydroxylases: Synthesis, Characterization and Reactivity of cis-Oxosulfido-Mo(VI) Complexes","Journal of the American Chemical Society","2006","128","","305","316","10.1021/ja056109u","","","0.71073","MoKα","","0.077","0.0583","","","0.1485","0.1559","","","","","","0.971","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110339","17.9498","0.0009","19.1027","0.001","31.9945","0.0017","90","","102.194","0.001","90","","10723.1","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","mu-disulfido-mu-oxobis- [{hydrotris(3-isopropylpyrazol-1-yl)borato}- oxomolybdenum(V)]","","- C36 H56 B2 Mo2 N12 O3 S2 -","- C36 H56 B2 Mo2 N12 O3 S2 -","- C288 H448 B16 Mo16 N96 O24 S16 -","8","2","","Christian J. Doonan; David J. Nielsen; Paul D. Smith; Jonathan M. White; Graham N. George; Charles G. Young","Models for the Molybdenum Hydroxylases: Synthesis, Characterization and Reactivity of cis-Oxosulfido-Mo(VI) Complexes","Journal of the American Chemical Society","2006","128","","305","316","10.1021/ja056109u","","","0.71073","MoKα","","0.1201","0.0633","","","0.1889","0.206","","","","","","0.937","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110340","16.101","0.005","17.766","0.005","20.42","0.005","90","0.005","90","0.005","90","0.005","5841","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","{hydrotris(3-isopropylpyrazol-1-yl)borato}- (2-mercaptonaphthalato)oxomolybdenum(V)","","- C28 H34 B Cl0 Mo N6 O2 S -","- C28 H34 B Mo N6 O2 S -","- C224 H272 B8 Mo8 N48 O16 S8 -","8","1","","Christian J. Doonan; David J. Nielsen; Paul D. Smith; Jonathan M. White; Graham N. George; Charles G. Young","Models for the Molybdenum Hydroxylases: Synthesis, Characterization and Reactivity of cis-Oxosulfido-Mo(VI) Complexes","Journal of the American Chemical Society","2006","128","","305","316","10.1021/ja056109u","","","0.71073","MoKα","","0.0998","0.0512","","","0.1022","0.1724","","","","","","1.647","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110341","12.9803","0.0005","18.2873","0.0007","23.046","0.0008","90","","90","","90","","5470.5","0.4","152","2","152","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Ni(P(Ph)2N(Ph)2)2(CH3CN)](BF4)2","6a","","- C58 H59 B2 F8 N5 Ni P4 -","- C58 H59 B2 F8 N5 Ni P4 -","- C232 H236 B8 F32 N20 Ni4 P16 -","4","1","","Aaron D. Wilson; Rachel H. Newell; Michael J. McNevin; James T. Muckerman; M. Rakowski DuBois; Daniel L. DuBois","Hydrogen Oxidation and Production Using Nickel-Based Molecular Catalysts with Positioned Proton Relays","Journal of the American Chemical Society","2006","128","","358","366","10.1021/ja056442y","","","0.71073","MoKα","","0.1763","0.0809","","","0.1436","0.1753","","","","","","0.968","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110342","17.571","0.013","16.235","0.011","23.576","0.017","90","","99.754","0.015","90","","6628","8","157","2","157","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ni(P(Cy)2N(Bz)2)2](BF4)","6b","","- C64 H94 B2 F8 N6 Ni P4 -","- C64 H94 B2 F8 N6 Ni P4 -","- C256 H376 B8 F32 N24 Ni4 P16 -","4","0.5","","Aaron D. Wilson; Rachel H. Newell; Michael J. McNevin; James T. Muckerman; M. Rakowski DuBois; Daniel L. DuBois","Hydrogen Oxidation and Production Using Nickel-Based Molecular Catalysts with Positioned Proton Relays","Journal of the American Chemical Society","2006","128","","358","366","10.1021/ja056442y","","","0.71073","MoKα","","0.1005","0.0651","","","0.1633","0.1888","","","","","","0.962","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110343","37.026","0.016","14.541","0.006","19.374","0.009","90","","105.1","0.007","90","","10071","8","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C93 H92 B Cl6 F4 Fe5 N16 O23 -","- C90 H76 Cl6 Fe5 N16 O18 -","- C360 H304 Cl24 Fe20 N64 O72 -","4","0.5","","Kil Sik Min; Arnold L. Rhinegold; Joel S. Miller","Tris(chloranilato)ferrate(III) Anionic Building Block Containing the (Dihydroxo)oxodiiron(III) Dimer Cation: Synthesis and Characterization of [(TPA)(OH)FeIIIOFeIII(OH)(TPA)][Fe(CA)3]0.5(BF4)0.5.1.5MeOH.H2O [TPA = tris(2-pyridylmethyl)amine; CA = chloranilate]","Journal of the American Chemical Society","2006","128","","40","41","10.1021/ja0566984","","","0.71073","MoKα","","0.0824","0.0608","","","0.1449","0.1548","","","","","","1.057","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110344","14.2165","0.0008","14.2165","0.0008","21.748","0.002","90","","90","","120","","3806.6","0.5","293","2","293","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","[Cd7(C5HN2O4)6].Na4.(H2O)7.(C10H8N2)3","","","- C60 H44 Cd7 N18 Na4 O31 -","- C60 H30 Cd7 N18 Na3.98 O31 -","- C120 H60 Cd14 N36 Na7.96 O62 -","2","0.166667","","Wen-Guan Lu; Cheng-Yong Su; Tong-Bu Lu; Long Jiang; Jia-Mei Chen","Two Stable 3D Metal-Organic Frameworks Constructed by Nanoscale Cages via Sharing the Single-Layer Walls","Journal of the American Chemical Society","2006","128","","34","35","10.1021/ja0567337","","","0.71073","MoKα","","0.072","0.0534","","","0.1432","0.1598","","","","","","1.081","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110345","14.3027","0.001","14.3027","0.001","21.493","0.003","90","","90","","120","","3807.7","0.7","293","2","293","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","[Cd7(C5HN2O4)6].K3.(H2O)6.(C16H36N)","","","- C46 H54 Cd7 K3 N13 O30 -","- C45.96 H6 Cd7 K3 N13 O30 -","- C91.92 H12 Cd14 K6 N26 O60 -","2","0.166667","","Wen-Guan Lu; Cheng-Yong Su; Tong-Bu Lu; Long Jiang; Jia-Mei Chen","Two Stable 3D Metal-Organic Frameworks Constructed by Nanoscale Cages via Sharing the Single-Layer Walls","Journal of the American Chemical Society","2006","128","","34","35","10.1021/ja0567337","","","0.71073","MoKα","","0.0657","0.0551","","","0.1434","0.1551","","","","","","1.027","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110346","24.84","0.007","50.544","0.013","48.629","0.012","90","","102.003","0.005","90","","59719","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C452 H430 B10 Cu12 F40 N128 O40 -","- C452 H430 B10 Cu12 F40 N128 O40 -","- C1808 H1720 B40 Cu48 F160 N512 O160 -","4","0.5","","Stephen P. Argent; Harry Adams; Thomas Riis-Johannessen; John C. Jeffery; Lindsay P. Harding; Michael D. Ward","High-nuclearity Homoleptic and Heteroleptic Coordination Cages Based on Tetra-Capped Truncated Tetrahedral and Cuboctahedral Metal Frameworks","Journal of the American Chemical Society","2006","128","","72","73","10.1021/ja056993o","","","0.71073","MoKα","","0.1789","0.0968","","","0.2513","0.2943","","","","","","0.812","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110347","29.7224","0.0008","30.1896","0.0008","52.4872","0.0013","87.581","0.001","79.978","0.001","70.105","0.001","43603","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C622 H549 Cd16 Cl28 N167 O112 -","- C622 H549 Cd16 Cl28 N167 O112 -","- C1244 H1098 Cd32 Cl56 N334 O224 -","2","1","","Stephen P. Argent; Harry Adams; Thomas Riis-Johannessen; John C. Jeffery; Lindsay P. Harding; Michael D. Ward","High-nuclearity Homoleptic and Heteroleptic Coordination Cages Based on Tetra-Capped Truncated Tetrahedral and Cuboctahedral Metal Frameworks","Journal of the American Chemical Society","2006","128","","72","73","10.1021/ja056993o","","","1.54178","CuKα","","0.1489","0.1269","","","0.3487","0.382","","","","","","1.396","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110348","12.6666","0.001","19.3167","0.0015","8.4376","0.0006","90","","105.406","0.006","90","","1990.3","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B N O2 -","- C22 H28 B N O2 -","- C88 H112 B4 N4 O8 -","4","1","","Joshua D. Sieber; James P. Morken","Sequential Pd-Catalyzed Asymmetric Allene Diboration/α-Aminoallylation","Journal of the American Chemical Society","2006","128","","74","75","10.1021/ja057020r","","","0.71073","MolybdenumKα","","0.161","0.071","","0.084","","0.072","","","","","","2.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110349","10.6147","0.0007","11.491","0.0008","18.4226","0.0012","90","","99.385","0.001","90","","2217","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","like-[CpRe(NO){P(Me)(Ph)(C6H4o-NMe2)}]O3SMe","","","- C21 H26 N2 O4 P Re S -","- C21 H26 N2 O4 P Re S -","- C84 H104 N8 O16 P4 Re4 S4 -","4","1","","Frank Bock; Frank Fischer; Wolfdieter A. Schenk","Diastereoselective Proton Transfer: A Route to Enantiomerically Pure Half-Sandwich Rhenium Complexes","Journal of the American Chemical Society","2006","128","","68","69","10.1021/ja057089z","","","0.71073","MoKα","","0.0395","0.0365","","","0.0962","0.0981","","","","","","1.077","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110350","8.06","0.002","15.729","0.005","8.241","0.003","90","","106.582","0.005","90","","1001.3","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Cp-methyl-nitrosyl-(methyl-phenyl-(o-dimethylaminophenyl)phosphine)rhenium","","","- C21 H26 N2 O P Re -","- C21 H26 N2 O P Re -","- C42 H52 N4 O2 P2 Re2 -","2","1","","Frank Bock; Frank Fischer; Wolfdieter A. Schenk","Diastereoselective Proton Transfer: A Route to Enantiomerically Pure Half-Sandwich Rhenium Complexes","Journal of the American Chemical Society","2006","128","","68","69","10.1021/ja057089z","","","0.71073","MoKα","","0.0294","0.028","","","0.0689","0.0696","","","","","","1.056","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110351","11.1512","0.0007","13.6587","0.0011","14.6425","0.0007","90","","97.908","0.007","90","","2209","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","unlike-[CpRe(NO){P(Me)(Ph)(C6H4o-NMe2)}]O3SMe","","","- C21 H26 N2 O4 P Re S -","- C21 H26 N2 O4 P Re S -","- C84 H104 N8 O16 P4 Re4 S4 -","4","1","","Frank Bock; Frank Fischer; Wolfdieter A. Schenk","Diastereoselective Proton Transfer: A Route to Enantiomerically Pure Half-Sandwich Rhenium Complexes","Journal of the American Chemical Society","2006","128","","68","69","10.1021/ja057089z","","","0.71073","MoKα","","0.0733","0.0353","","","0.0649","0.0714","","","","","","0.839","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110352","11.4122","0.0008","12.6671","0.0009","14.3522","0.001","85.843","0.001","69.178","0.001","74.095","0.001","1864.3","0.2","223","2","223","2","","","","","","","","8","P -1","-P 1","2","Pt-complex","Pt-complex","","- C30 H35 B F4 N4 O10 Pt2 S2 -","- C30 H35 B F4 N4 O10 Pt2 S2 -","- C60 H70 B2 F8 N8 O20 Pt4 S4 -","2","1","","Andrei N. Vedernikov; Seth A. Binfield; Peter Y. Zavalij; Julia R. Khusnutdinova","Stoichiometric Aerobic PtII-Me Bond Cleavage in Aqueous Solutions to Produce Methanol and a PtII(OH) Complex","Journal of the American Chemical Society","2006","128","","82","83","10.1021/ja0575171","","","0.71073","MoKα","","0.0273","0.0229","","","0.0544","0.057","","","","","","1","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110353","8.169","0.003","13.873","0.005","10.637","0.004","90","","94.767","0.007","90","","1201.3","0.8","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-Pt2-complex","trans-Pt2-complex","","- C22 H20 N4 O8 Pt2 S2 -","- C22 H20 N4 O8 Pt2 S2 -","- C44 H40 N8 O16 Pt4 S4 -","2","0.5","","Andrei N. Vedernikov; Seth A. Binfield; Peter Y. Zavalij; Julia R. Khusnutdinova","Stoichiometric Aerobic PtII-Me Bond Cleavage in Aqueous Solutions to Produce Methanol and a PtII(OH) Complex","Journal of the American Chemical Society","2006","128","","82","83","10.1021/ja0575171","","","0.71073","MoKα","","0.0357","0.0289","","","0.0649","0.0699","","","","","","1","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110354","10.116","0.005","11.457","0.005","27.94","0.02","85.3","0.05","80.73","0.05","79.2","0.04","3135","3","188","","188","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H71 N9 O18 P2 -","- C66 H69 N9 O18 P2 -","- C132 H138 N18 O36 P4 -","2","1","","Vladimír Král; Kamil Lang; Jarmila Králová; Michal Dvořák; Pavel Martásek; Aileen O. Chin; Andrei Andrievsky; Vincent Lynch; Jonathan L. Sessler","Polyhydroxylated Sapphyrins: Multisite Non-metallic Catalysts for Activated Phosphodiester Hydrolysis","Journal of the American Chemical Society","2006","128","","432","437","10.1021/ja0518474","","x-ray","0.71073","MoKα","","","0.108","","","","0.22","","","","","","1.54","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110355","15.9009","0.0011","11.4188","0.0008","16.5897","0.0011","90","","110.4","0.001","90","","2823.3","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 N4 P2 Pd -","- C24 H46 N4 P2 Pd -","- C96 H184 N16 P8 Pd4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0317","0.0278","","","0.0947","0.0982","","","","","","1.069","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110356","9.6134","0.0004","16.0484","0.0006","25.4098","0.001","90","","90","","90","","3920.2","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H57 F3 N4 O3 P2 Pd S -","- C30 H57 F3 N4 O3 P2 Pd S -","- C120 H228 F12 N16 O12 P8 Pd4 S4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0287","0.0259","","","0.0602","0.0613","","","","","","1.099","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110357","14.3428","0.001","10.4371","0.0007","26.6199","0.0019","90","","97.024","0.001","90","","3955","0.5","218","2","218","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H59 I N4 P2 Pd -","- C34 H59 I N4 P2 Pd -","- C136 H236 I4 N16 P8 Pd4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0598","0.0388","","","0.092","0.1004","","","","","","1.028","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110358","9.5657","0.0007","16.3449","0.0012","12.8255","0.001","90","","99.824","0.001","90","","1975.9","0.3","147","2","147","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Br N2 P Pd -","- C18 H28 Br N2 P Pd -","- C72 H112 Br4 N8 P4 Pd4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0349","0.0273","","","0.0686","0.0712","","","","","","1.079","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110359","9.9008","0.0005","16.7186","0.0009","12.915","0.0007","90","","102.849","0.001","90","","2084.26","0.19","147","2","147","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 I N2 P Pd -","- C18 H28 I N2 P Pd -","- C72 H112 I4 N8 P4 Pd4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0262","0.023","","","0.0575","0.0588","","","","","","1.022","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110360","10.3039","0.0007","20.2485","0.0013","12.1211","0.0008","90","","103.814","0.001","90","","2455.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 I N2 P Pd -","- C22 H36 I N2 P Pd -","- C88 H144 I4 N8 P4 Pd4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.026","0.0232","","","0.0584","0.0595","","","","","","1.045","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110361","8.5573","0.0005","13.3881","0.0007","15.2267","0.0008","103.004","0.001","101.709","0.001","94.464","0.001","1650.35","0.16","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H49 F3 N4 O3 P2 Pd S -","- C26 H49 F3 N4 O3 P2 Pd S -","- C52 H98 F6 N8 O6 P4 Pd2 S2 -","2","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0289","0.0262","","","0.065","0.0682","","","","","","1.055","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110362","9.9919","0.0006","17.517","0.001","11.0258","0.0006","90","","98.532","0.001","90","","1908.47","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 Cl2 N2 P Pd -","- C15 H29 Cl2 N2 P Pd -","- C60 H116 Cl8 N8 P4 Pd4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.024","0.0211","","","0.0525","0.0536","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110363","10.7472","0.0006","11.4851","0.0006","14.9802","0.0008","79.388","0.001","83.399","0.001","62.825","0.001","1615.8","0.15","218","2","218","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H45 F3 N3 O3 P Pd S -","- C26 H45 F3 N3 O3 P Pd S -","- C52 H90 F6 N6 O6 P2 Pd2 S2 -","2","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.039","0.0338","","","0.0876","0.0904","","","","","","1.001","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110364","23.6456","0.0013","9.994","0.0005","26.493","0.0014","90","","96.829","0.001","90","","6216.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H66 B F20 N5 P2 Pd -","- C60 H66 B F20 N5 P2 Pd -","- C240 H264 B4 F80 N20 P8 Pd4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0622","0.0432","","","0.0878","0.0951","","","","","","1.027","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110365","13.2846","0.0009","13.6817","0.001","13.7439","0.0009","109.582","0.001","91.524","0.001","105.118","0.001","2254.2","0.3","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H66 F3 N5 O3 P Pd S -","- C36 H66 N5 P2 Pd -","- C72 H132 N10 P4 Pd2 -","2","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0467","0.0402","","","0.1039","0.1074","","","","","","1.04","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110366","6.2984","0.0002","13.9118","0.0005","8.962","0.0003","90","","91.077","0.002","90","","785.13","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C34 H42 N2 O10 -","2","1","","Yongqiang Zhang; Lanny S. Liebeskind","Organometallic Enantiomeric Scaffolding: Organometallic Chirons. Total Synthesis of (-)-Bao Gong Teng A by a Molybdenum-Mediated [5+2] Cycloaddition","Journal of the American Chemical Society","2006","128","","465","472","10.1021/ja055623x","","","1.54178","CuKα","","0.0379","0.0351","","","0.0821","0.0831","","","","","","1.022","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110367","10.189","0.002","10.608","0.002","12.5","0.004","98.449","0.003","95.173","0.003","116.258","0.002","1180","0.5","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N P -","- C28 H34 N P -","- C56 H68 N2 P2 -","2","1","","Yves Canac; Salvador Conejero; Michèle Soleilhavoup; Bruno Donnadieu; Guy Bertrand","Synthesis of Transient and Stable C-Amino Phosphorus Ylides and Their Fragmentation into Transient and Stable Carbenes","Journal of the American Chemical Society","2006","128","","459","464","10.1021/ja055863c","","","0.71073","MoKα","","0.073","0.0686","","","0.1893","0.1958","","","","","","1.037","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110368","10.9466","0.0006","9.0296","0.0005","29.4485","0.0017","90","","93.075","0.001","90","","2906.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 F3 N O3 P S -","- C29 H35 F3 N O3 P S -","- C116 H140 F12 N4 O12 P4 S4 -","4","1","","Yves Canac; Salvador Conejero; Michèle Soleilhavoup; Bruno Donnadieu; Guy Bertrand","Synthesis of Transient and Stable C-Amino Phosphorus Ylides and Their Fragmentation into Transient and Stable Carbenes","Journal of the American Chemical Society","2006","128","","459","464","10.1021/ja055863c","","","0.71073","MoKα","","0.078","0.0413","","","0.096","0.1058","","","","","","0.884","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110369","24.6668","0.0015","26.0509","0.0015","7.5084","0.0004","90","","90","","90","","4824.8","0.5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","9-allyl adenine silver nirtate complex","","","- C9 H9 Ag N6 O3.5 -","- C9 H9 Ag N6 O3.5 -","- C144 H144 Ag16 N96 O56 -","16","1","","Chandra Shekhar Purohit; Sandeep Verma","A Luminescent Silver-Adenine Metallamacrocyclic Quartet","Journal of the American Chemical Society","2006","128","","400","401","10.1021/ja056452z","","","0.71073","MoKα","","0.0252","0.0251","","","0.0669","0.0671","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110370","8.025","0.004","23.927","0.011","15.071","0.007","90","","95.995","0.009","90","","2878","2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N6 Zn -","- C30 H30 N6 Zn -","- C120 H120 N24 Zn4 -","4","1","","Sanjib Das; Amit Nag; Debabrata Goswami; Parimal K. Bharadwaj","Zinc(II)- and Copper(I)-Mediated Large Two-Photon Absorption Cross Sections in a Bis-cinnamaldiminato Schiff Base","Journal of the American Chemical Society","2006","128","","402","403","10.1021/ja056771q","","","0.71073","MoKα","","0.1018","0.0573","","","0.1259","0.1459","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110371","12.237","0.0004","17.842","0.0008","15.579","0.0007","90","","106.461","0.003","90","","3262","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","silaborene","","- C27 H60 B N Si3 -","- C27 H60 B N Si3 -","- C108 H240 B4 N4 Si12 -","4","1","","Norio Nakata; Akira Sekiguchi","A Stable Silaborene: Synthesis and Characterization","Journal of the American Chemical Society","2006","128","","422","423","10.1021/ja0570741","","","0.7107","MoKα","","0.0596","0.0494","","","0.1393","0.1464","","","","","","1.061","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110372","12.237","0.0006","28.065","0.0013","17.929","0.0005","90","","95.189","0.003","90","","6132.1","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","borylsilyl anion","","- C51 H107 B Li N O6 Si4 -","- C51 H107 B Li N O6 Si4 -","- C204 H428 B4 Li4 N4 O24 Si16 -","4","1","","Norio Nakata; Akira Sekiguchi","A Stable Silaborene: Synthesis and Characterization","Journal of the American Chemical Society","2006","128","","422","423","10.1021/ja0570741","","","0.7107","MoKα","","0.0996","0.0678","","","0.1823","0.2046","","","","","","1.057","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110373","11.772","0.003","11.772","0.003","9.062","0.002","90","","90","","90","","1255.8","0.5","293","2","293","2","","","","","","","","4","I -4","I -4","82","","","","- C3 H3 O5 Tc -","- C3 H3 O5 Tc -","- C24 H24 O40 Tc8 -","8","1","","Maaz Zuhayra; Willm Uwe Kampen; Eberhard Henze; Zsolt Soti; Laslo Zsolnai; Gottfried Huttner; Franz Oberdorfer","A Planar Water Tetramer with Tetrahedrally Coordinated Water Embedded in a Hydrogen Bonding Network of [Tc4(CO)12-(μ3-OH)4.4H2O]","Journal of the American Chemical Society","2006","128","","424","425","10.1021/ja057142j","","","0.71073","MoKα","","0.0247","0.0244","","0.0601","0.0599","","","","1.082","1.092","1.092","","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110374","35.326","0.003","9.2322","0.0008","24.865","0.002","90","","120.737","0.001","90","","6970.2","1","135","2","135","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H61 Os P Si -","- C34 H61 Os P Si -","- C272 H488 Os8 P8 Si8 -","8","1","","Paul G. Hayes; Chad Beddie; Michael B. Hall; Rory Waterman; T. Don Tilley","Hydrogen-Substituted Osmium Silylene Complexes: Effect of Charge Localization on Catalytic Hydrosilation","Journal of the American Chemical Society","2006","128","","428","429","10.1021/ja057494q","","","0.71073","MoKα","","0.0586","0.0314","","","0.06","0.0643","","","","","","0.88","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110375","11.2237","0.0008","13.1785","0.001","13.4073","0.0011","98.694","0.001","104.004","0.001","99.281","0.002","1861.1","0.2","243","2","243","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","2","","Qian Miao; Xiaoliu Chi; Shengxiong Xiao; Roswitha Zeis; Michael Lefenfeld; Theo Siegrist; Michael L. Steigerwald; Colin Nuckolls","Organization of Acenes with a Cruciform Assembly Motif","Journal of the American Chemical Society","2006","128","","1340","1345","10.1021/ja0570786","","","0.71073","MoKα","","0.0713","0.0487","","","0.1312","0.1532","","","","","","1.036","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110376","8.7131","0.0015","10.2665","0.0017","24.621","0.004","90","","90","","90","","2202.4","0.6","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O3 S -","- C23 H30 N2 O3 S -","- C92 H120 N8 O12 S4 -","4","1","","Marco Bandini; Alfonso Melloni; Fabio Piccinelli; Riccardo Sinisi; Simona Tommasi; Achille Umani-Ronchi","Highly Enantioselective Synthesis of Tetrahydro-β-Carbolines and Tetrahydro-γ-Carbolines Via Pd-Catalyzed Intramolecular Allylic Alkylation","Journal of the American Chemical Society","2006","128","","1424","1425","10.1021/ja054109o","","","0.71073","MoKα","","0.0659","0.0413","","","0.1051","0.1144","","","","","","0.98","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110377","6.4848","0.0002","9.6226","0.0004","9.6765","0.0004","110.171","0.002","97.365","0.002","90.975","0.002","560.89","0.04","293","","293","","","","","","","","?","5","P -1","-P 1","2","","","","- C11 H13 Cl O2 Os -","- C11 H13 Cl O2 Os -","- C22 H26 Cl2 O4 Os2 -","2","1","","Anna F. A. Peacock; Abraha Habtemariam; Rafael Fernández; Victoria Walland; Francesca P. A. Fabbiani; Simon Parsons; Rhona E. Aird; Duncan I. Jodrell; Peter J. Sadler","Tuning the Reactivity of Osmium(II) and Ruthenium(II) Arene Complexes under Physiological Conditions","Journal of the American Chemical Society","2006","128","","1739","1748","10.1021/ja055886r","","","0.71073","MoKα","","0.0237","0.0233","","0.0604","0.0601","0.0604","","","","","","1.0641","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110378","9.4688","0.0005","10.0201","0.0006","16.5231","0.0008","95.496","0.004","89.941","0.003","92.784","0.004","1558.63","0.15","150","2","150","2","","","","","","","Anna Peacock, reaction AFAP29","5","P -1","-P 1","2","","","","- C15 H21 Cl O2 Os -","- C15 H21 Cl O2 Os -","- C60 H84 Cl4 O8 Os4 -","4","2","","Anna F. A. Peacock; Abraha Habtemariam; Rafael Fernández; Victoria Walland; Francesca P. A. Fabbiani; Simon Parsons; Rhona E. Aird; Duncan I. Jodrell; Peter J. Sadler","Tuning the Reactivity of Osmium(II) and Ruthenium(II) Arene Complexes under Physiological Conditions","Journal of the American Chemical Society","2006","128","","1739","1748","10.1021/ja055886r","","","0.71073","MoKα","","0.0418","0.0318","","","0.0804","0.0822","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110379","8.9165","0.0007","17.4347","0.0014","19.9254","0.0016","90","","93.683","0.001","90","","3091.1","0.4","150","","150","","","","","","","","V.Walland, reaction number vw07","6","C 1 c 1","C -2yc","9","","","","- C38 H38 B Cl N2 Os -","- C38 H38 B Cl N2 Os -","- C152 H152 B4 Cl4 N8 Os4 -","4","1","","Anna F. A. Peacock; Abraha Habtemariam; Rafael Fernández; Victoria Walland; Francesca P. A. Fabbiani; Simon Parsons; Rhona E. Aird; Duncan I. Jodrell; Peter J. Sadler","Tuning the Reactivity of Osmium(II) and Ruthenium(II) Arene Complexes under Physiological Conditions","Journal of the American Chemical Society","2006","128","","1739","1748","10.1021/ja055886r","","","0.71073","MoKα","","0.0244","0.0221","","0.0573","0.0559","0.0573","","","","","","0.9126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110380","8.8984","0.0003","17.4254","0.0006","19.9718","0.0005","90","","93.609","0.002","90","","3090.65","0.17","150","","150","","","","","","","","?","6","C 1 c 1","C -2yc","9","","","","- C76 H76 B2 Cl2 N4 Ru2 -","- C76 H76 B2 Cl2 N4 Ru2 -","- C152 H152 B4 Cl4 N8 Ru4 -","2","0.5","","Anna F. A. Peacock; Abraha Habtemariam; Rafael Fernández; Victoria Walland; Francesca P. A. Fabbiani; Simon Parsons; Rhona E. Aird; Duncan I. Jodrell; Peter J. Sadler","Tuning the Reactivity of Osmium(II) and Ruthenium(II) Arene Complexes under Physiological Conditions","Journal of the American Chemical Society","2006","128","","1739","1748","10.1021/ja055886r","","","0.71073","MoKα","","0.0419","0.0384","","0.0912","0.0899","0.0912","","","","","","0.9846","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110381","8.8029","0.0003","9.6356","0.0003","21.908","0.0007","90","","90","","90","","1858.26","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17.25 H18 Cl O2.25 Os -","- C17.25 H18 Cl O2.25 Os -","- C69 H72 Cl4 O9 Os4 -","4","1","","Anna F. A. Peacock; Abraha Habtemariam; Rafael Fernández; Victoria Walland; Francesca P. A. Fabbiani; Simon Parsons; Rhona E. Aird; Duncan I. Jodrell; Peter J. Sadler","Tuning the Reactivity of Osmium(II) and Ruthenium(II) Arene Complexes under Physiological Conditions","Journal of the American Chemical Society","2006","128","","1739","1748","10.1021/ja055886r","","","0.71073","MoKα","","0.0916","0.0703","","","0.1656","0.1786","","","","","","1.156","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110382","11.0097","0.0011","16.4849","0.0016","18.5435","0.0018","100.151","0.001","104.682","0.001","103.956","0.001","3056.9","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H40 La2 N -","- C110 H40 La1.9816 N -","- C220 H80 La3.9632 N2 -","2","1","","Michio Yamada; Takatsugu Wakahara; Tsukasa Nakahodo; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Naomi Mizorogi; Shigeru Nagase","Synthesis and Structural Characterization of Endohedral Pyrrolidinodimetallofullerene: La2@C80(CH2)2NTrt","Journal of the American Chemical Society","2006","128","","1402","1403","10.1021/ja056560l","","","0.71073","MoKα","","0.0963","0.0768","","","0.2046","0.2216","","","","","","1.09","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110383","8.368","0.004","25.41","0.01","15.691","0.007","90","","92.09","0.04","90","","3334","3","90","1","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H22 Cu Dy2 F36 N6 O14 -","- C52 H22 Cu Dy2 F36 N6 O14 -","- C104 H44 Cu2 Dy4 F72 N12 O28 -","2","0.5","","Fumihito Mori; Tetsuya Nyui; Takayuki Ishida; Takashi Nogami; Kwang-Yong Choi; Hiroyuki Nojiri","Oximate-Bridged Trinuclear Dy-Cu-Dy Complex Behaving as a Single-Molecule Magnet and Its Mechanistic Investigation","Journal of the American Chemical Society","2006","128","","1440","1441","10.1021/ja057183f","","","0.7107","MoKa","","","0.062","","","","0.061","","","","","","0.835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110384","20.502","0.004","17.404","0.004","12.656","0.003","90","","90","","90","","4515.9","1.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Et4N]3[Fe(II)(CN)5py] 6H2O","tris-tetraethylammonium Iron(II)pentacyanidepyridine","","- C34 H77 Fe N9 O6 -","- C34 H56 Fe N9 O6 -","- C136 H224 Fe4 N36 O24 -","4","0.5","","Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch","Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes","Journal of the American Chemical Society","2006","128","","1416","1417","10.1021/ja0571951","","x-ray","0.71073","MoKα","","0.1276","0.0696","","","0.2","0.2379","","","","","","0.938","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110385","20.798","0.002","15.8938","0.0016","15.6801","0.0016","90","","92.832","0.002","90","","5176.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[(n-Bu)4N]2 [Fe(III)(CN)5py] C5H5N","bis-tetra-n-butylammonium Iron(III)pentacyanidepyridine pyridine","","- C47 H82 Fe N9 -","- C47 H82 Fe N9 -","- C188 H328 Fe4 N36 -","4","1","","Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch","Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes","Journal of the American Chemical Society","2006","128","","1416","1417","10.1021/ja0571951","","x-ray","0.71073","MoKα","","0.1704","0.0579","","","0.1515","0.199","","","","","","0.828","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110386","6.8796","0.0005","8.4908","0.0006","13.4947","0.001","90","","96.937","0.001","90","","782.5","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Na2[Fe(II)(CN)4(dmso)2 2H2O","disodium iron(II)tetracyanobisdimethylsulfoxide bis water","","- C8 H16 Fe N4 Na2 O4 S2 -","- C8 H16 Fe N4 Na2 O4 S2 -","- C16 H32 Fe2 N8 Na4 O8 S4 -","2","0.5","","Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch","Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes","Journal of the American Chemical Society","2006","128","","1416","1417","10.1021/ja0571951","","x-ray","0.71073","MoKα","","0.0265","0.0243","","","0.0651","0.0664","","","","","","1.053","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110387","16.4424","0.0018","11.3252","0.0013","18.481","0.002","90","","106.168","0.002","90","","3305.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Et4N]2[Fe(II)(CN)4py2] H2O","bistetraethylammonium cis-iron(II)tetracyanidedbispyridine","","- C30 H52 Fe N8 O -","- C30 H51 Fe N8 O -","- C120 H204 Fe4 N32 O4 -","4","1","","Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch","Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes","Journal of the American Chemical Society","2006","128","","1416","1417","10.1021/ja0571951","","x-ray","0.71073","MoKα","","0.1363","0.047","","","0.0916","0.1117","","","","","","0.816","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110388","12.2349","0.0016","12.6485","0.0017","15.753","0.002","90","","91.957","0.002","90","","2436.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Et4N][Fe(III)(CN)4(pyridine)2]","tetraethylammonium cis-iron(III)tetracyanidebispyridine","","- C22 H30 Fe N7 -","- C22 H30 Fe N7 -","- C88 H120 Fe4 N28 -","4","1","","Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch","Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes","Journal of the American Chemical Society","2006","128","","1416","1417","10.1021/ja0571951","","x-ray","0.71073","MoKα","","0.123","0.0581","","","0.1331","0.1583","","","","","","0.949","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110389","22.631","0.004","21.874","0.004","19.345","0.003","90","","90","","90","","9576","3","293","2","293","2","","","","","","","From reaction of cis-[Fe(II)(CN)4(py)2]2- with CO","5","C m c a","-C 2ac 2","64","trans-[(n-Bu)4N]2[Fe(II)(CN)4(CO)py]","bis-tetrabutylammonium trans-iron(II)tetracyanidecarbonylpyradine","","- C42 H77 Fe N7 O -","- C42 H77 Fe N7 O -","- C336 H616 Fe8 N56 O8 -","8","","","Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch","Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes","Journal of the American Chemical Society","2006","128","","1416","1417","10.1021/ja0571951","","x-ray","0.71073","MoKα","","0.1442","0.0589","","","0.1551","0.1863","","","","","","0.887","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110390","13.294","0.003","16.663","0.004","9.006","0.002","97.787","0.007","111.12","0.01","68.101","0.009","1726.7","0.7","11.5","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F6 P S16 -","- C24 H24 F6 P S16 -","- C48 H48 F12 P2 S32 -","2","1","","Shinya Kimura; Hideaki Suzuki; Tomoko Maejima; Hatsumi Mori; Jun-Ichi Yamaura; Toru Kakiuchi; Hiroshi Sawa; Hiroshi Moriyama","Checkerboard-Type Charge-Ordered State of a Pressure-Induced Superconductor, β-(meso-DMBEDT-TTF)2PF6","Journal of the American Chemical Society","2006","128","","1456","1457","10.1021/ja057307o","","","0.9989","SrKα","","","0.088","","","","0.099","","","","","","2.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110391","12.2527","0.0003","12.2527","0.0003","14.5191","0.0007","90","","90","","120","","1887.7","0.11","123","2","123","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C12 H21 Y -","- C12 H21 Y -","- C72 H126 Y6 -","6","0.5","","H. Martin Dietrich; Hilde Grove; Karl W. Törnroos; Reiner Anwander","Multiple C-H Bond Activation in Group 3 Chemistry: Synthesis and Structural Characterization of an Yttrium-Aluminum-Methine Cluster","Journal of the American Chemical Society","2006","128","","1458","1459","10.1021/ja057618z","","","0.71073","MoKα","","0.0484","0.0395","","","0.1003","0.1087","","","","","","1.061","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110392","10.953","0.0004","15.6798","0.0006","21.1344","0.0008","110.443","0.001","91.225","0.001","109.788","0.001","3159.8","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H52 Al2 Y2 -","- C28 H52 Al2 Y2 -","- C112 H208 Al8 Y8 -","4","2","","H. Martin Dietrich; Hilde Grove; Karl W. Törnroos; Reiner Anwander","Multiple C-H Bond Activation in Group 3 Chemistry: Synthesis and Structural Characterization of an Yttrium-Aluminum-Methine Cluster","Journal of the American Chemical Society","2006","128","","1458","1459","10.1021/ja057618z","","","0.71073","MoKα","","0.0443","0.0344","","","0.0907","0.0939","","","","","","1.119","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110393","10.625","0.002","11.705","0.002","12.203","0.002","80.13","0.03","68.04","0.03","84.11","0.03","1385.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl7 D2 N O4 -","- C22 H28 Cl7 N O4 -","- C44 H56 Cl14 N2 O8 -","2","1","","Sarah E. Reisman; Joseph M. Ready; Atsushi Hasuoka; Catherine J. Smith; John L. Wood","Total Synthesis of (\±)-Welwitindolinone A Isonitrile","Journal of the American Chemical Society","2006","128","","1448","1449","10.1021/ja057640s","","","0.71073","MoKα","","0.0712","0.0467","","","0.1356","0.1517","","","","","","1.002","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110394","19.495","0.004","6.6031","0.0013","13.671","0.003","90","","100.01","0.03","90","","1733","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C80 H88 Cl4 N4 O8 -","4","1","","Sarah E. Reisman; Joseph M. Ready; Atsushi Hasuoka; Catherine J. Smith; John L. Wood","Total Synthesis of (\±)-Welwitindolinone A Isonitrile","Journal of the American Chemical Society","2006","128","","1448","1449","10.1021/ja057640s","","","0.71073","MoKα","","0.159","0.0773","","","0.1809","0.2199","","","","","","1.103","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110395","12.0382","0.0009","14.4404","0.0011","15.276","0.0012","90","","109.749","0.002","90","","2499.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","E-4,4'-Bis[4-bis(4-methoxyphenyl)amino]stilbene bis(hexachloroantimonate)","","- C42 H38 Cl12 N2 O4 Sb2 -","- C42 H38 Cl12 N2 O4 Sb2 -","- C84 H76 Cl24 N4 O8 Sb4 -","2","0.5","","Shijun Zheng; Stephen Barlow; Chad Risko; Tiffany L. Kinnibrugh; Viktor N. Khrustalev; Simon C. Jones; Mikhail Yu. Antipin; Neil M. Tucker; Tatiana V. Timofeeva; Veaceslav Coropceanu; Jean-Luc Brédas; Seth R. Marder","Isolation and Crystal Structures of Two Singlet Bis(Triarylamine) Dications with Nonquinoidal Geometries","Journal of the American Chemical Society","2006","128","","1812","1817","10.1021/ja0541534","","","0.71073","MoKα","","0.05","0.0414","","","0.0975","0.1034","","","","","","1.007","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110396","11.6716","0.0009","14.9373","0.0011","15.589","0.0011","64.936","0.002","83.166","0.002","76.083","0.002","2389.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","E,E-2,5-Bis(4-[bis(4-methoxyphenyl)amino]styryl)-3,4-di(n-butoxy)thiophene","","- C56 H58 N2 O6 S -","- C56 H58 N2 O6 S -","- C112 H116 N4 O12 S2 -","2","1","","Shijun Zheng; Stephen Barlow; Chad Risko; Tiffany L. Kinnibrugh; Viktor N. Khrustalev; Simon C. Jones; Mikhail Yu. Antipin; Neil M. Tucker; Tatiana V. Timofeeva; Veaceslav Coropceanu; Jean-Luc Brédas; Seth R. Marder","Isolation and Crystal Structures of Two Singlet Bis(Triarylamine) Dications with Nonquinoidal Geometries","Journal of the American Chemical Society","2006","128","","1812","1817","10.1021/ja0541534","","","0.71073","MoKα","","0.1068","0.0513","","","0.0821","0.0938","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110397","13.0866","0.0017","14.366","0.0019","30.542","0.004","90","","90","","90","","5742","1.3","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","E,E-2,5-Bis(4-[bis(4-methoxyphenyl)amino]styryl) -3,4-di(n-butoxy)thiophene bis(hexafluoroantimonate)","","- C56 H58 F12 N2 O6 S Sb2 -","- C56 H58 F12 N2 O6 S Sb2 -","- C224 H232 F48 N8 O24 S4 Sb8 -","4","1","","Shijun Zheng; Stephen Barlow; Chad Risko; Tiffany L. Kinnibrugh; Viktor N. Khrustalev; Simon C. Jones; Mikhail Yu. Antipin; Neil M. Tucker; Tatiana V. Timofeeva; Veaceslav Coropceanu; Jean-Luc Brédas; Seth R. Marder","Isolation and Crystal Structures of Two Singlet Bis(Triarylamine) Dications with Nonquinoidal Geometries","Journal of the American Chemical Society","2006","128","","1812","1817","10.1021/ja0541534","","","0.71073","MoKα","","0.1002","0.0575","","","0.1102","0.1187","","","","","","1.035","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110398","15.857","0.002","10.0744","0.0013","19.014","0.002","90","","101.957","0.003","90","","2971.6","0.6","198","2","198","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C15 H28 B11 Br6 O -","- C15 H28 B11 Br6 O -","- C60 H112 B44 Br24 O4 -","4","0.5","","Evgenii S. Stoyanov; Kee-Chan Kim; Christopher A. Reed","The Nature of the H3O+ Hydronium Ion in Benzene and Chlorinated Hydrocarbon Solvents. Conditions of Existence and Reinterpretation of Infrared Data","Journal of the American Chemical Society","2006","128","","1948","1958","10.1021/ja0551335","","","0.71073","MoKα","","0.0508","0.0343","","","0.0843","0.0919","","","","","","1.038","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110399","12.7952","0.0004","17.7441","0.0005","18.5205","0.0006","90","","90","","90","","4204.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H58 Cl N2 Rh -","- C47 H58 Cl N2 Rh -","- C188 H232 Cl4 N8 Rh4 -","4","1","","Timothy W. Funk; Jacob M. Berlin; Robert H. Grubbs","Highly Active Chiral Ruthenium Catalysts for Asymmetric Ring-Closing Olefin Metathesis","Journal of the American Chemical Society","2006","128","","1840","1846","10.1021/ja055994d","","","0.71073","MoKα","","0.0814","0.0383","","","0.0541","0.0593","","","","","","0.991","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4110400","11.874","0.002","15.938","0.003","21.337","0.004","90","","93.14","0.03","90","","4031.9","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H43 Cl O P2 Pd -","- C48 H43 Cl O P2 Pd -","- C192 H172 Cl4 O4 P8 Pd4 -","4","1","","Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig","A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes","Journal of the American Chemical Society","2006","128","","1828","1839","10.1021/ja056003z","","","0.71073","MoKα","","0.1294","0.0543","","","0.0941","0.112","","","","","","0.996","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110401","18.235","0.004","18.04","0.004","25.472","0.005","90","","99.73","0.03","90","","8259","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H39 F3 O4 P2 Pd S -","- C47 H39 F3 O4 P2 Pd S -","- C376 H312 F24 O32 P16 Pd8 S8 -","8","2","","Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig","A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes","Journal of the American Chemical Society","2006","128","","1828","1839","10.1021/ja056003z","","","0.71073","MoKα","","0.1137","0.0644","","","0.1668","0.1889","","","","","","1.069","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110402","11.451","0.002","14.314","0.003","14.412","0.003","83.76","0.03","67.63","0.03","70.75","0.03","2062","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H37 Cl2 F3 O4 P2 Pd S -","- C45 H37 Cl2 F3 O4 P2 Pd S -","- C90 H74 Cl4 F6 O8 P4 Pd2 S2 -","2","1","","Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig","A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes","Journal of the American Chemical Society","2006","128","","1828","1839","10.1021/ja056003z","","","0.71073","MoKα","","0.1087","0.051","","","0.0843","0.0976","","","","","","1.002","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110403","9.5147","0.0019","22.092","0.004","19.067","0.004","90","","96.19","0.03","90","","3984.5","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H39 Cl7 Fe P2 Pd -","- C38 H35 Cl3 Fe P2 Pd -","- C152 H140 Cl12 Fe4 P8 Pd4 -","4","1","","Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig","A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes","Journal of the American Chemical Society","2006","128","","1828","1839","10.1021/ja056003z","","","0.71073","MoKα","","0.0745","0.0448","","","0.1077","0.1143","","","","","","1.009","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110404","17.295","0.004","10.086","0.002","21.398","0.004","90","","94.23","0.03","90","","3722.4","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H39 Br O P2 Pd -","- C46 H39 Br O P2 Pd -","- C184 H156 Br4 O4 P8 Pd4 -","4","1","","Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig","A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes","Journal of the American Chemical Society","2006","128","","1828","1839","10.1021/ja056003z","","","0.71073","MoKα","","0.1239","0.0525","","","0.0789","0.095","","","","","","1.001","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110405","10.981","0.002","13.175","0.003","16.691","0.003","77.86","0.03","71.19","0.03","85.61","0.03","2234.6","0.9","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.5 H39 Cl9 O P2 Pd -","- C42 H36 Cl8 O P2 Pd -","- C84 H72 Cl16 O2 P4 Pd2 -","2","1","","Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig","A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes","Journal of the American Chemical Society","2006","128","","1828","1839","10.1021/ja056003z","","","0.71073","MoKα","","0.0866","0.0644","","","0.1796","0.1907","","","","","","1.276","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110406","10.426","0.002","20.056","0.004","21.214","0.004","63.91","0.03","81.69","0.03","77.45","0.03","3882.7","1.7","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C42.5 H36 Cl F3 Fe O3 P2 Pd S -","- C42.5 H36 Cl F3 Fe O3 P2 Pd S -","- C170 H144 Cl4 F12 Fe4 O12 P8 Pd4 S4 -","4","2","","Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig","A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes","Journal of the American Chemical Society","2006","128","","1828","1839","10.1021/ja056003z","","","0.71073","MoKα","","0.1224","0.0501","","","0.0762","0.0897","","","","","","0.978","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110407","16.3665","0.0013","8.7668","0.0007","13.0351","0.0009","90","","103.655","0.005","90","","1817.4","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Swadhin K. Mandal; Satyabrata Samanta; Mikhail E. Itkis; Dell W. Jensen; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Resonating Valence Bond Ground State in Oxygen-Functionalized Phenalenyl-Based Neutral Radical Molecular Conductors","Journal of the American Chemical Society","2006","128","","1982","1994","10.1021/ja0560276","","","0.71073","MoKα","","0.118","0.0494","","","0.1289","0.1575","","","","","","1.002","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110408","7.3847","0.0003","10.7758","0.0005","12.6337","0.0006","95.965","0.001","99.323","0.001","99.694","0.001","968.96","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 B O4 -","- C28 H18 B O4 -","- C56 H36 B2 O8 -","2","1","","Swadhin K. Mandal; Satyabrata Samanta; Mikhail E. Itkis; Dell W. Jensen; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Resonating Valence Bond Ground State in Oxygen-Functionalized Phenalenyl-Based Neutral Radical Molecular Conductors","Journal of the American Chemical Society","2006","128","","1982","1994","10.1021/ja0560276","","","0.71073","MoKα","","0.0747","0.0451","","","0.1159","0.1298","","","","","","1.025","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110409","12.8501","0.0007","16.746","0.0009","25.0841","0.0013","77.283","0.001","88.561","0.001","85.433","0.001","5248.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C107 H101 B2 F35 N4 O2 Pt2 -","- C107 H101 B2 F35 N4 O2 Pt2 -","- C214 H202 B4 F70 N8 O4 Pt4 -","2","1","","Jonathan S. Owen; Jay A. Labinger; John E. Bercaw","Kinetics and Mechanism of Methane, Methanol, and Dimethyl Ether C-H Activation with Electrophilic Platinum Complexes","Journal of the American Chemical Society","2006","128","","2005","2016","10.1021/ja056387t","","","0.71073","MoKα","","0.0892","0.0531","","","0.0971","0.1038","","","","","","1.293","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4110410","12.3114","0.0003","15.4916","0.0004","16.6024","0.0004","63.632","0.001","73.354","0.001","88.665","0.001","2698.14","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C107 H106 B2 F36 N4 O3 Pt2 -","- C107 H106 B2 F36 N4 O3 Pt2 -","- C107 H106 B2 F36 N4 O3 Pt2 -","1","0.5","","Jonathan S. Owen; Jay A. Labinger; John E. Bercaw","Kinetics and Mechanism of Methane, Methanol, and Dimethyl Ether C-H Activation with Electrophilic Platinum Complexes","Journal of the American Chemical Society","2006","128","","2005","2016","10.1021/ja056387t","","","0.71073","MoKα","","0.1021","0.0592","","","0.1068","0.1148","","","","","","1.748","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4110411","14.231","0.001","12.26","0.001","24.167","0.002","90","","104.181","0.004","90","","4088","0.6","123.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Cl4 N6 O Zn2 -","- C41 H43 Cl4 N6 O Zn2 -","- C164 H172 Cl16 N24 O4 Zn8 -","4","1","","Akio Ojida; Masa-aki Inoue; Yasuko Mito-oka; Hiroshi Tsutsumi; Kazuki Sada; Itaru Hamachi","Effective Disruption of Phosphoprotein-Protein Surface Interaction Using Zn(II) Dipicolylamine-Based Artificial Receptors via Two-Point Interaction","Journal of the American Chemical Society","2006","128","","2052","2058","10.1021/ja056585k","","","1.5418","CuKα","","","0.0924","","","","0.2667","","","","","","1.73","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110412","13.5767","0.0005","7.8292","0.0003","18.9222","0.0006","90","","110.744","0.002","90","","1880.94","0.12","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 B N6 O Pt -","- C16 H23 B N6 O Pt -","- C64 H92 B4 N24 O4 Pt4 -","4","1","","Nathan M. West; Stefan Reinartz; Peter S. White; Joseph L. Templeton","Carbon Monoxide Promoted Reductive Elimination of Hydrogen from Tp' Platinum Complexes","Journal of the American Chemical Society","2006","128","","2059","2066","10.1021/ja056766m","","","0.71073","MoKα","","0.0653","0.0598","","0.17","0.1687","0.17","","","","","","1.0921","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110413","7.6504","0.0009","13.3702","0.0018","11.4418","0.0019","90","","98.291","0.012","90","","1158.1","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H34 Cl N O6 S -","- C20 H34 Cl N O6 S -","- C40 H68 Cl2 N2 O12 S2 -","2","1","","Varinder K. Aggarwal; Jonathan P. H. Charmant; Daniel Fuentes; Jeremy N. Harvey; George Hynd; Diasuke Ohara; Willy Picoul; Raphaël Robiette; Catherine Smith; Jean-Luc Vasse; Caroline L. Winn","Highly Enantioselective Synthesis of Glycidic Amides Using Camphor-Derived Sulfonium Salts. Mechanism and Applications in Synthesis","Journal of the American Chemical Society","2006","128","","2105","2114","10.1021/ja0568345","","","0.71073","MoKα","","0.0446","0.0348","","","0.081","0.0856","","","","","","1.041","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110414","10.163","0.0011","11.123","0.0012","14.6824","0.0016","77.808","0.003","77.742","0.003","66.448","0.003","1471.9","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H52 Co N P2 Si2 -","- C22 H52 Co N P2 Si2 -","- C44 H104 Co2 N2 P4 Si4 -","2","1","","Michael Ingleson; Hongjun Fan; Maren Pink; John Tomaszewski; Kenneth G. Caulton","Three-Coordinate Co(I) Provides Access to Unsaturated Dihydrido-Co(III) and Seven-Coordinate Co(V)","Journal of the American Chemical Society","2006","128","","1804","1805","10.1021/ja0572452","","","0.71073","MoKα","","0.0463","0.0335","","","0.0768","0.0851","","","","","","1.044","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110415","18.9727","0.0007","11.871","0.0004","18.5326","0.0006","90","","93.429","0.001","90","","4166.5","0.2","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H70 Co N P2 Si5 -","- C34 H70 Co N P2 Si5 -","- C136 H280 Co4 N4 P8 Si20 -","4","1","","Michael Ingleson; Hongjun Fan; Maren Pink; John Tomaszewski; Kenneth G. Caulton","Three-Coordinate Co(I) Provides Access to Unsaturated Dihydrido-Co(III) and Seven-Coordinate Co(V)","Journal of the American Chemical Society","2006","128","","1804","1805","10.1021/ja0572452","","","0.71073","MoKα","","0.0624","0.0413","","","0.1","0.1132","","","","","","1.018","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110416","11.6003","0.0014","18.254","0.002","17.654","0.002","90","","91.647","0.001","90","","3736.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H62 F2 Ni2 P4 -","- C30 H62 F2 Ni2 P4 -","- C120 H248 F8 Ni8 P16 -","4","1","","Alana L. Keen; Samuel A. Johnson","Nickel(0)-Catalyzed Isomerization of an Aryne Complex: Formation of a Dinuclear Ni(I) Complex via C-H Rather than C-F Bond Activation","Journal of the American Chemical Society","2006","128","","1806","1807","10.1021/ja0572553","","","0.71073","MoKα","","0.0523","0.0417","","","0.0937","0.0996","","","","","","1.105","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110417","10.9544","0.0013","18.671","0.002","19.607","0.002","90","","93.341","0.001","90","","4003.4","0.8","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 F4 Ni2 P4 -","- C36 H64 F4 Ni2 P4 -","- C144 H256 F16 Ni8 P16 -","4","1","","Alana L. Keen; Samuel A. Johnson","Nickel(0)-Catalyzed Isomerization of an Aryne Complex: Formation of a Dinuclear Ni(I) Complex via C-H Rather than C-F Bond Activation","Journal of the American Chemical Society","2006","128","","1806","1807","10.1021/ja0572553","","","0.71073","MoKα","","0.055","0.0485","","","0.1075","0.1105","","","","","","1.197","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110418","20.058","0.004","16.095","0.003","16.266","0.003","90","","90","","90","","5251.2","1.7","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C21 H19 Co F9 N4 O2 P1.5 -","- C21 H19 Co F9 N4 O2 P1.5 -","- C168 H152 Co8 F72 N32 O16 P12 -","8","1","","Jun Tao; Hiroyuki Maruyama; Osamu Sato","Valence Tautomeric Transitions with Thermal Hysteresis around Room Temperature and Photoinduced Effects Observed in a Cobalt-Tetraoxolene Complex","Journal of the American Chemical Society","2006","128","","1790","1791","10.1021/ja057488u","","","0.71073","MoKα","","0.1337","0.0696","","","0.1756","0.1965","","","","","","0.856","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110419","11.478","0.002","16.101","0.003","11.446","0.002","90","","91.27","0.03","90","","2114.8","0.7","173","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Co F6 N4 O2 P -","- C21 H19 Co F6 N4 O2 P -","- C84 H76 Co4 F24 N16 O8 P4 -","4","1","","Jun Tao; Hiroyuki Maruyama; Osamu Sato","Valence Tautomeric Transitions with Thermal Hysteresis around Room Temperature and Photoinduced Effects Observed in a Cobalt-Tetraoxolene Complex","Journal of the American Chemical Society","2006","128","","1790","1791","10.1021/ja057488u","","","0.71073","MoKα","","0.1268","0.0567","","","0.1074","0.1276","","","","","","0.877","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110420","17.939","0.004","15.43","0.003","21.338","0.004","90","","90","","90","","5906","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Co F12 N4 O3 P2 -","- C24 H25 Co F12 N4 O3 P2 -","- C192 H200 Co8 F96 N32 O24 P16 -","8","1","","Jun Tao; Hiroyuki Maruyama; Osamu Sato","Valence Tautomeric Transitions with Thermal Hysteresis around Room Temperature and Photoinduced Effects Observed in a Cobalt-Tetraoxolene Complex","Journal of the American Chemical Society","2006","128","","1790","1791","10.1021/ja057488u","","","0.71073","MoKα","","0.1405","0.0417","","","0.0649","0.0812","","","","","","0.565","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110421","17.945","0.01","7.785","0.004","43.07","0.03","90","","90","","90","","6017","6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Bis{1-(pyridin-4-yl)-2- [2-(N-methylpyrrol-5-yl)]ethane}methane","","","- C19 H17 N3 -","- C19 H17 N3 -","- C304 H272 N48 -","16","2","","Antonio Facchetti; Luca Beverina; Milko E. van der Boom; Pulak Dutta; Guennadi Evmenenko; Atindra D. Shukla; Charlotte E. Stern; Giorgio A. Pagani; Tobin J. Marks","Strategies for Electrooptic Film Fabrication. Influence of Pyrrole-Pyridine-Based Dibranched Chromophore Architecture on Covalent Self-Assembly, Thin-Film Microstructure, and Nonlinear Optical Response","Journal of the American Chemical Society","2006","128","","2142","2153","10.1021/ja057556c","","","0.71073","MoKα","","0.2328","0.0655","","","0.1718","0.2285","","","","","","0.89","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110422","5.715","0.0004","9.49","0.0007","35.349","0.003","90","","90","","90","","1917.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-[(1R,2R)-2-{(+)-isomenthoxy}-3-oxacyclopentyl]phenol","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Hirohisa Ohmiya; Hideki Yorimitsu; Koichiro Oshima","Cobalt(diamine)-Catalyzed Cross-coupling Reaction of Alkyl Halides with Arylmagnesium Reagents: Stereoselective Constructions of Arylated Asymmetric Carbons and Application to Total Synthesis of AH13205","Journal of the American Chemical Society","2006","128","","1886","1889","10.1021/ja057560o","","","0.71073","MoKα","","0.137","0.0994","","","0.2802","0.3069","","","","","","1.013","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110423","9.6589","0.0014","14.408","0.002","19.01","0.003","90","","90","","90","","2645.5","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 O5 P -","- C31 H29 O5 P -","- C124 H116 O20 P4 -","4","1","","Mary R. Nahm; Justin R. Potnick; Peter S. White; Jeffrey S. Johnson","Metallophosphite-Catalyzed Asymmetric Acylation of α,β-Unsaturated Amides","Journal of the American Chemical Society","2006","128","","2751","2756","10.1021/ja056018x","","","0.71073","MoKα","","0.1492","0.0682","","","0.1342","0.1581","","","","","","1.032","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110424","11.64","0.03","21.09","0.03","11.95","0.02","90","","94.94","0.08","90","","2923","10","123.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H56 F6 N2 O2 P3 Rh -","- C70 H54 F6 N2 O2 P3 Rh -","- C140 H108 F12 N4 O4 P6 Rh2 -","2","1","","Ryo Shintani; Keiji Yashio; Tomoaki Nakamura; Kazuhiro Okamoto; Toyoshi Shimada; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Synthesis of Indanones: Development of a New ""Axially Chiral"" Bisphosphine Ligand","Journal of the American Chemical Society","2006","128","","2772","2773","10.1021/ja056584s","","","0.7107","MoKα","","","0.084","","","","0.232","","","","","","0.847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110425","8.7495","0.0017","12.734","0.002","22.81","0.005","90","","90","","90","","2541.4","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O6 S3 -","- C24 H26 N2 O6 S3 -","- C96 H104 N8 O24 S12 -","4","1","","Christian Hedberg; Klas Källström; Peter Brandt; Lars Kristian Hansen; Pher G. Andersson","Asymmetric Hydrogenation of Trisubstituted Olefins with Iridium-Phosphine Thiazole Complexes: A Further Investigation of the Ligand Structure","Journal of the American Chemical Society","2006","128","","2995","3001","10.1021/ja057178b","","","0.71069","MoKα","","0.1555","0.0465","","","0.084","0.1064","","","","","","0.861","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110426","8.6529","0.0019","12.381","0.003","17.422","0.004","90","","91.436","0.004","90","","1865.9","0.7","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N -","- C25 H25 N -","- C100 H100 N4 -","4","1","","Josephine S. Nakhla; Jeff W. Kampf; John P. Wolfe","Intramolecular Pd-Catalyzed Carboetherification and Carboamination. Influence of Catalyst Structure on Reaction Mechanism and Product Stereochemistry","Journal of the American Chemical Society","2006","128","","2893","2901","10.1021/ja057489m","","","0.71073","MoKα","","0.0697","0.0418","","","0.0891","0.1008","","","","","","1.024","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110427","10.1043","0.0015","10.161","0.0015","12.5238","0.0019","83.163","0.002","69.461","0.002","85.405","0.002","1194.5","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H29 N O -","- C32 H29 N O -","- C64 H58 N2 O2 -","2","1","","Josephine S. Nakhla; Jeff W. Kampf; John P. Wolfe","Intramolecular Pd-Catalyzed Carboetherification and Carboamination. Influence of Catalyst Structure on Reaction Mechanism and Product Stereochemistry","Journal of the American Chemical Society","2006","128","","2893","2901","10.1021/ja057489m","","","0.71073","MoKα","","0.0577","0.0479","","","0.1223","0.1304","","","","","","1.034","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110428","10.526","0.002","7.023","0.0015","24.427","0.005","90","","92.893","0.012","90","","1803.4","0.6","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N -","- C25 H25 N -","- C100 H100 N4 -","4","1","","Josephine S. Nakhla; Jeff W. Kampf; John P. Wolfe","Intramolecular Pd-Catalyzed Carboetherification and Carboamination. Influence of Catalyst Structure on Reaction Mechanism and Product Stereochemistry","Journal of the American Chemical Society","2006","128","","2893","2901","10.1021/ja057489m","","","0.71073","MoKα","","0.0808","0.0441","","","0.0992","0.1175","","","","","","1.022","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110429","15.918","0.003","7.5316","0.0011","15.47","0.002","90","","104.112","0.007","90","","1798.7","0.5","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N -","- C25 H25 N -","- C100 H100 N4 -","4","1","","Josephine S. Nakhla; Jeff W. Kampf; John P. Wolfe","Intramolecular Pd-Catalyzed Carboetherification and Carboamination. Influence of Catalyst Structure on Reaction Mechanism and Product Stereochemistry","Journal of the American Chemical Society","2006","128","","2893","2901","10.1021/ja057489m","","","0.71073","MoKα","","0.0504","0.0413","","","0.1113","0.1181","","","","","","1.038","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110430","10.268","0.003","10.634","0.003","12.104","0.003","109.298","0.004","90.865","0.004","112.971","0.004","1132.6","0.5","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H29 N -","- C31 H29 N -","- C62 H58 N2 -","2","1","","Josephine S. Nakhla; Jeff W. Kampf; John P. Wolfe","Intramolecular Pd-Catalyzed Carboetherification and Carboamination. Influence of Catalyst Structure on Reaction Mechanism and Product Stereochemistry","Journal of the American Chemical Society","2006","128","","2893","2901","10.1021/ja057489m","","","0.71073","MoKα","","0.0522","0.0417","","","0.1056","0.1124","","","","","","1.043","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110431","15.38","0.003","11.932","0.003","14.981","0.003","90","","102.314","0.005","90","","2686","1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 O -","- C37 H32 O -","- C148 H128 O4 -","4","1","","Josephine S. Nakhla; Jeff W. Kampf; John P. Wolfe","Intramolecular Pd-Catalyzed Carboetherification and Carboamination. Influence of Catalyst Structure on Reaction Mechanism and Product Stereochemistry","Journal of the American Chemical Society","2006","128","","2893","2901","10.1021/ja057489m","","","0.71073","MoKα","","0.1158","0.0558","","","0.133","0.163","","","","","","1.016","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110432","5.9431","0.0008","16.656","0.002","19.147","0.003","86.81","0.007","89.35","0.007","88.314","0.008","1891.5","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","2","","Josephine S. Nakhla; Jeff W. Kampf; John P. Wolfe","Intramolecular Pd-Catalyzed Carboetherification and Carboamination. Influence of Catalyst Structure on Reaction Mechanism and Product Stereochemistry","Journal of the American Chemical Society","2006","128","","2893","2901","10.1021/ja057489m","","","0.71073","MoKα","","0.0834","0.0619","","","0.1773","0.1925","","","","","","1.101","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110433","11.181","0.002","18.49","0.004","19.334","0.004","90","","111.4","0.03","90","","3721.5","1.5","180","1","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Dimitry-77 new","","","- C30 H66 F Li O3 Si3 -","- C30 H66 F Li O3 Si3 -","- C120 H264 F4 Li4 O12 Si12 -","4","1","","Gregory Molev; Dmitry Bravo-Zhivotovskii; Miriam Karni; Boris Tumanskii; Mark Botoshansky; Yitzhak Apeloig","Synthesis, Molecular Structure, and Reactivity of the Isolable Silylenoid with a Tricoordinate Silicon","Journal of the American Chemical Society","2006","128","","2784","2785","10.1021/ja0575880","","","0.71073","MoKα","","0.1237","0.0633","","","0.1605","0.1801","","","","","","0.955","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110434","30.008","0.007","8.4","0.004","7.701","0.003","90","","90","","90","","1941.2","1.3","298.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Se2 -","- C26 H16 Se2 -","- C104 H64 Se8 -","4","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yasushi Konda; Hideaki Ebata; Yuta Toyoshima; Tetsuo Otsubo","2,7-Diphenyl[1]benzoselenopheno[3,2-b][1]benzoselenophene as a Stable Organic Semiconductor for a High-Performance Field-Effect Transistor","Journal of the American Chemical Society","2006","128","","3044","3050","10.1021/ja057641k","","","0.7107","MoKα","","","0.0429","","","","0.1689","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110435","12.037","0.002","6.025","0.001","8.42","0.001","90","","108.45","0.01","90","","579.26","0.16","298.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Se2 -","- C14 H8 Se2 -","- C28 H16 Se4 -","2","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yasushi Konda; Hideaki Ebata; Yuta Toyoshima; Tetsuo Otsubo","2,7-Diphenyl[1]benzoselenopheno[3,2-b][1]benzoselenophene as a Stable Organic Semiconductor for a High-Performance Field-Effect Transistor","Journal of the American Chemical Society","2006","128","","3044","3050","10.1021/ja057641k","","","0.7107","MoKα","","","0.0349","","","","0.1113","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110436","9.656","0.002","10.634","0.002","15.602","0.004","90","","103.175","0.005","90","","1559.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O -","- C20 H19 N O -","- C80 H76 N4 O4 -","4","1","","Robert T. Yu; Tomislav Rovis","Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition of Alkenyl Isocyanates and Alkynes","Journal of the American Chemical Society","2006","128","","2782","2783","10.1021/ja057803c","","","0.71073","MoKα","","0.0869","0.0504","","","0.1195","0.1404","","","","","","1.025","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110437","7.6588","0.0008","10.0715","0.001","17.6024","0.0018","81.751","0.005","82.555","0.005","84.83","0.005","1328.9","0.2","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","(5-iodoresorcinol).(9,10-bis(4-pyridylethynyl)anthracene) 2/2","","- C34 H21 I N2 O2 -","- C34 H21 I N2 O2 -","- C68 H42 I2 N4 O4 -","2","1","","Anatoliy N. Sokolov; Tomislav Friščić; Leonard R. MacGillivray","Enforced Face-to-Face Stacking of Organic Semiconductor Building Blocks within Hydrogen-Bonded Molecular Cocrystals","Journal of the American Chemical Society","2006","128","","2806","2807","10.1021/ja057939a","","","0.71073","MoKα","","0.1043","0.048","","","0.1187","0.1584","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110438","10.1694","0.001","13.4373","0.0013","10.6937","0.0011","90","","98.135","0.005","90","","1446.6","0.2","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-bis(4-pyridylethynyl)thiophene","","- C18 H10 N2 S -","- C18 H10 N2 S -","- C72 H40 N8 S4 -","4","1","","Anatoliy N. Sokolov; Tomislav Friščić; Leonard R. MacGillivray","Enforced Face-to-Face Stacking of Organic Semiconductor Building Blocks within Hydrogen-Bonded Molecular Cocrystals","Journal of the American Chemical Society","2006","128","","2806","2807","10.1021/ja057939a","","","0.71073","MoKα","","0.0577","0.0374","","","0.0922","0.1179","","","","","","1.181","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110439","11.0531","0.0011","23.965","0.002","7.2633","0.0007","90","","97.055","0.005","90","","1909.4","0.3","190","2","190","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9,10-bis(4-pyridylethynyl)anthracene","","- C28 H16 N2 -","- C28 H16 N2 -","- C112 H64 N8 -","4","0.5","","Anatoliy N. Sokolov; Tomislav Friščić; Leonard R. MacGillivray","Enforced Face-to-Face Stacking of Organic Semiconductor Building Blocks within Hydrogen-Bonded Molecular Cocrystals","Journal of the American Chemical Society","2006","128","","2806","2807","10.1021/ja057939a","","","0.71073","MoKα","","0.0644","0.0541","","","0.1504","0.1585","","","","","","1.063","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110440","8.1439","0.0008","19.0985","0.0019","28.074","0.003","89.826","0.005","88.74","0.005","89.57","0.005","4365.3","0.8","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","(5-methylresorcinol).(2,5-bis(4-pyridylethynyl)thiophene) 2/2","","- C25 H18 N2 O2 S -","- C25 H18 N2 O2 S -","- C200 H144 N16 O16 S8 -","8","4","","Anatoliy N. Sokolov; Tomislav Friščić; Leonard R. MacGillivray","Enforced Face-to-Face Stacking of Organic Semiconductor Building Blocks within Hydrogen-Bonded Molecular Cocrystals","Journal of the American Chemical Society","2006","128","","2806","2807","10.1021/ja057939a","","","0.71073","MoKα","","0.1676","0.0719","","","0.1468","0.1766","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110441","15.5666","0.0013","14.8684","0.0014","15.84","0.003","90","","90","","90","","3666.2","0.8","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C38 H51 Br N P2 Rh -","- C38 H51 Br N P2 Rh -","- C152 H204 Br4 N4 P8 Rh4 -","4","0.5","","Sylvain Gatard; Remle Çelenligil-Çetin; Chengyun Guo; Bruce M. Foxman; Oleg V. Ozerov","Carbon-Halide Oxidative Addition and Carbon-Carbon Reductive Elimination at a (PNP)Rh Center","Journal of the American Chemical Society","2006","128","","2808","2809","10.1021/ja057948j","","","0.71073","MoKα","","0.104","0.0433","","0.092","0.0426","0.0426","","","","","","1.1163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110442","9.448","0.0007","15.478","0.001","17.141","0.001","90","","94.165","0.001","90","","2500","0.3","120.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H41 P5 Ru -","- C19 H41 P5 Ru -","- C76 H164 P20 Ru4 -","4","1","","Vincent S. Chan; Ian C. Stewart; Robert G. Bergman; F. Dean Toste","Asymmetric Catalytic Synthesis of P-Stereogenic Phosphines via a Nucleophilic Ruthenium Phosphido Complex","Journal of the American Chemical Society","2006","128","","2786","2787","10.1021/ja058100y","","","0.7107","MoKα","","","0.0335","","","","0.0363","","","","","","1.295","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110443","16.354","0.001","13.2884","0.0009","22.9689","","90","","95.501","0.002","90","","4968.6","0.5","273.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H74 B O1.5 P5 Ru -","- C49 H74 B O1.5 P5 Ru -","- C196 H296 B4 O6 P20 Ru4 -","4","1","","Vincent S. Chan; Ian C. Stewart; Robert G. Bergman; F. Dean Toste","Asymmetric Catalytic Synthesis of P-Stereogenic Phosphines via a Nucleophilic Ruthenium Phosphido Complex","Journal of the American Chemical Society","2006","128","","2786","2787","10.1021/ja058100y","","","0.7107","MoKα","","0.0675","0.0402","","0.0567","","0.0515","","","","","","1.68","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110444","18.2932","0.0009","9.5539","0.0005","24.9971","0.0012","90","","90","","90","","4368.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(mu2-trifluoroacetateo-O,O')-bis(mu2-pivolate-O,O')-(bismuth-rhodium)","","- C14 H18 Bi F6 O8 Rh -","- C14 H18 Bi F6 O8 Rh -","- C112 H144 Bi8 F48 O64 Rh8 -","8","1","","Evgeny V. Dikarev; Bo Li; Haitao Zhang","Tuning the Properties at Heterobimetallic Core: Mixed-Ligand Bismuth-Rhodium Paddlewheel Carboxylates","Journal of the American Chemical Society","2006","128","","2814","2815","10.1021/ja058294h","","","0.71073","MoKα","","0.0231","0.0199","","","0.0437","0.0447","","","","","","1.067","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110445","8.769","0.0006","19.85","0.0013","9.4931","0.0006","90","","105.121","0.001","90","","1595.2","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris(mu2-trifluoroacetateo-O,O')-(mu2-acetate-O,O')-(bismuth-rhodium)","","- C8 H3 Bi F9 O8 Rh -","- C8 H3 Bi F9 O8 Rh -","- C32 H12 Bi4 F36 O32 Rh4 -","4","1","","Evgeny V. Dikarev; Bo Li; Haitao Zhang","Tuning the Properties at Heterobimetallic Core: Mixed-Ligand Bismuth-Rhodium Paddlewheel Carboxylates","Journal of the American Chemical Society","2006","128","","2814","2815","10.1021/ja058294h","","","0.71073","MoKα","","0.0247","0.0224","","","0.0552","0.0561","","","","","","1.045","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110446","20.9073","0.0011","9.6475","0.0005","21.6942","0.0011","90","","102.675","0.001","90","","4269.2","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[bis(mu2-trifluoroacetateo-O,O')-bis(mu2-pivolate-O,O')-(bismuth-rhodium)]- [tris(mu2-trifluoroacetateo-O,O')-(mu2-pivolate-O,O')-(bismuth-rhodium)]","","- C25 H27 Bi2 F15 O16 Rh2 -","- C25 H27 Bi2 F15 O16 Rh2 -","- C100 H108 Bi8 F60 O64 Rh8 -","4","1","","Evgeny V. Dikarev; Bo Li; Haitao Zhang","Tuning the Properties at Heterobimetallic Core: Mixed-Ligand Bismuth-Rhodium Paddlewheel Carboxylates","Journal of the American Chemical Society","2006","128","","2814","2815","10.1021/ja058294h","","","0.71073","MoKα","","0.0441","0.0322","","","0.0743","0.0787","","","","","","1.038","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110447","25.2178","0.0015","25.2178","0.0015","17.4913","0.0012","90","","90","","90","","11123.4","1.2","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","bis(mu2-trifluoroacetateo-O,O')-bis(mu2-pivolate-O,O')-(bismuth-rhodium) -pivolic acid adduct","","- C19 H28 Bi F6 O10 Rh -","- C18.97 H27.91 Bi F5.94 O10 Rh -","- C303.52 H446.56 Bi16 F95.04 O160 Rh16 -","16","1","","Evgeny V. Dikarev; Bo Li; Haitao Zhang","Tuning the Properties at Heterobimetallic Core: Mixed-Ligand Bismuth-Rhodium Paddlewheel Carboxylates","Journal of the American Chemical Society","2006","128","","2814","2815","10.1021/ja058294h","","","0.71073","MoKα","","0.0763","0.0463","","","0.0992","0.1119","","","","","","1.034","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110448","13.317","0.005","22.302","0.005","17.194","0.005","90","","124.804","0.005","90","","4193","2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 As Cl5 N2 O Sn -","- C40 H48 As Cl5 N2 O Sn -","- C160 H192 As4 Cl20 N8 O4 Sn4 -","4","1","","Gregor Reeske; Clint R. Hoberg; Nicholas J. Hill; Alan H. Cowley","Capture of Phosphorus(I) and Arsenic(I) Moieties by a 1,2-Bis(arylimino)acenaphthene (Aryl-BIAN) Ligand. A Case of Intramolecular Charge Transfer","Journal of the American Chemical Society","2006","128","","2800","2801","10.1021/ja058459m","","","0.71069","MoKα","","0.1463","0.0513","","","0.0874","0.11","","","","","","0.938","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110449","13.189","0.005","22.335","0.005","14.637","0.005","90","","104.102","0.005","90","","4182","2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cl5 N2 O P Sn -","- C40 H48 Cl5 N2 O P Sn -","- C160 H192 Cl20 N8 O4 P4 Sn4 -","4","1","","Gregor Reeske; Clint R. Hoberg; Nicholas J. Hill; Alan H. Cowley","Capture of Phosphorus(I) and Arsenic(I) Moieties by a 1,2-Bis(arylimino)acenaphthene (Aryl-BIAN) Ligand. A Case of Intramolecular Charge Transfer","Journal of the American Chemical Society","2006","128","","2800","2801","10.1021/ja058459m","","","0.71069","MoKα","","0.11","0.0471","","","0.0995","0.1199","","","","","","0.979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110450","17.625","0.004","15.265","0.003","17.014","0.003","90","","114.03","0.03","90","","4180.8","1.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 I3 N2 P -","- C36 H40 I3 N2 P -","- C144 H160 I12 N8 P4 -","4","1","","Gregor Reeske; Clint R. Hoberg; Nicholas J. Hill; Alan H. Cowley","Capture of Phosphorus(I) and Arsenic(I) Moieties by a 1,2-Bis(arylimino)acenaphthene (Aryl-BIAN) Ligand. A Case of Intramolecular Charge Transfer","Journal of the American Chemical Society","2006","128","","2800","2801","10.1021/ja058459m","","","0.71073","MoKα","","0.1003","0.0478","","","0.1202","0.1331","","","","","","0.927","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110451","8.937","0.0013","8.937","0.0013","40.324","0.008","90","","90","","90","","3220.7","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 N10 S4 Zn -","- C32 H16 N10 S4 Zn -","- C128 H64 N40 S16 Zn4 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0646","0.0402","","","0.0897","0.1048","","","","","","1.017","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110452","8.777","0.002","15.636","0.003","34.891","0.007","90","","90","","90","","4788.3","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Co N6 -","- C28 H20 Co N6 -","- C224 H160 Co8 N48 -","8","2","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0407","0.0314","","0.0725","0.0688","","","","0.966","1.002","1.002","","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110453","7.4345","0.0015","18.461","0.004","12.052","0.002","90","","107.77","0.03","90","","1575.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 N5 S2 -","- C16 H9 N5 S2 -","- C64 H36 N20 S8 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0912","0.0473","","","0.1156","0.1442","","","","","","0.93","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110454","8.966","0.0013","8.966","0.0013","39.873","0.008","90","","90","","90","","3205.4","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Cu N10 S4 -","- C32 H16 Cu N10 S4 -","- C128 H64 Cu4 N40 S16 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0857","0.0473","","","0.0984","0.1153","","","","","","1.04","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110455","8.8643","0.0013","8.8643","0.0013","40.515","0.008","90","","90","","90","","3183.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 N10 Ni S4 -","- C32 H16 N10 Ni S4 -","- C128 H64 N40 Ni4 S16 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.1746","0.1171","","","0.3274","0.3478","","","","","","2.193","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110456","8.898","0.0013","8.898","0.0013","40.385","0.008","90","","90","","90","","3197.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Co N10 S4 -","- C32 H16 Co N10 S4 -","- C128 H64 Co4 N40 S16 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0384","0.0312","","","0.0819","0.0875","","","","","","1.076","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110457","8.917","0.0013","8.917","0.0013","40.516","0.008","90","","90","","90","","3221.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Fe N10 S4 -","- C32 H16 Fe N10 S4 -","- C128 H64 Fe4 N40 S16 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.1688","0.0787","","","0.1776","0.2214","","","","","","1.056","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110458","17.119","0.003","11.551","0.002","14.902","0.003","90","","118.09","0.03","90","","2599.6","1.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.5 H21 Cl N6 Zn -","- C28.5 H21 Cl N6 Zn -","- C114 H84 Cl4 N24 Zn4 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0615","0.0506","","0.1679","0.139","","","","0.899","0.918","0.918","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110459","11.2388","0.0006","14.2154","0.001","22.1303","0.0011","79.479","0.004","82.355","0.003","67.324","0.004","3199.8","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H62 O12 P3 Se3 -","- C73 H62 O12 P3 Se3 -","- C146 H124 O24 P6 Se6 -","2","1","","Elizabeth E. Hamilton; Phillip E. Fanwick; Jonathan J. Wilker","Alkylation of Inorganic Oxo Compounds and Insights on Preventing DNA Damage","Journal of the American Chemical Society","2006","128","","3388","3395","10.1021/ja056568v","","","0.71073","MO-Kα","","0.087","0.068","","","0.179","0.189","","","","","","1.057","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110460","15.64","0.005","9.128","0.003","17.615","0.006","90","","97.83","0.02","90","","2491.3","1.4","293.1","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C30 H36 N2 O3 -","- C30 H36 N2 O3 -","- C120 H144 N8 O12 -","4","1","","Shunji Aoki; Yasuo Watanabe; Mami Sanagawa; Andi Setiawan; Naoyuki Kotoku; Motomasa Kobayashi","Cortistatins A, B, C, and D, Anti-angiogenic Steroidal Alkaloids, from the Marine Sponge Corticium simplex","Journal of the American Chemical Society","2006","128","","3148","3149","10.1021/ja057404h","","","1.5419","CuKα","","","0.058","","","","0.16","","","","","","1.006","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4110461","16.609","0.002","15.269","0.005","21.061","0.006","90","","105.68","0.05","90","","5142","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.1 H42.4 Mn2 N8 O10.1 S8 -","- C42.1 H42.4 Mn2 N8 O10.1 S8 -","- C168.4 H169.6 Mn8 N32 O40.4 S32 -","4","1","","Chahrazed Beghidja; Guillaume Rogez; Jens Kortus; Marcel Wesolek; Richard Welter","Very Strong Ferromagnetic Interaction in a New Binuclear μ-Methoxo-Bridged Mn(III) Complex: Synthesis, Crystal Structure, Magnetic Properties, and DFT Calculations","Journal of the American Chemical Society","2006","128","","3140","3141","10.1021/ja0575023","","","0.71069","MoKα","","0.2276","0.0957","","","0.1331","0.1675","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110462","13.421","0.002","21.299","0.003","19.054","0.003","90","","127.91","0.05","90","","4297","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cl6 Mn N6 O6 S6 -","- C32 H29 Cl6 Mn N6 O6 S6 -","- C128 H116 Cl24 Mn4 N24 O24 S24 -","4","1","","Chahrazed Beghidja; Guillaume Rogez; Jens Kortus; Marcel Wesolek; Richard Welter","Very Strong Ferromagnetic Interaction in a New Binuclear μ-Methoxo-Bridged Mn(III) Complex: Synthesis, Crystal Structure, Magnetic Properties, and DFT Calculations","Journal of the American Chemical Society","2006","128","","3140","3141","10.1021/ja0575023","","","0.71069","MoKα","","0.1939","0.0827","","","0.1587","0.195","","","","","","1.064","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110463","8.7592","0.001","11.9627","0.0014","15.3124","0.0018","103.245","0.002","99.236","0.002","105.793","0.002","1459.7","0.3","173","2","173","2","","","","","","","Nermeen W. Aboelella","4","P -1","-P 1","2","04215","","","- C33 H42 N2 S -","- C33 H42 N2 S -","- C66 H84 N4 S2 -","2","1","","Nermeen W. Aboelella; Benjamin F. Gherman; Lyndal M. R. Hill; John T. York; Nicole Holm; Victor G. Young; Christopher J. Cramer; William B. Tolman","Effects of Thioether Substituents on the O2 Reactivity of β-Diketiminate-Cu(I) Complexes: Probing the Role of the Methionine Ligand in Copper Monooxygenases","Journal of the American Chemical Society","2006","128","","3445","3458","10.1021/ja057745v","","","0.71073","MoKα","","0.0903","0.0561","","","0.117","0.1289","","","","","","1.044","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110464","8.954","0.0009","14.7632","0.0014","25.849","0.003","90","","98.649","0.002","90","","3378.1","0.6","173","2","173","2","","","","","","","Nermeen W. Aboelella","6","P 1 21/n 1","-P 2yn","14","04339","","","- C28 H38.9 Cl1.1 Cu N2 S -","- C28 H38.903 Cl1.097 Cu N2 S -","- C112 H155.612 Cl4.388 Cu4 N8 S4 -","4","1","","Nermeen W. Aboelella; Benjamin F. Gherman; Lyndal M. R. Hill; John T. York; Nicole Holm; Victor G. Young; Christopher J. Cramer; William B. Tolman","Effects of Thioether Substituents on the O2 Reactivity of β-Diketiminate-Cu(I) Complexes: Probing the Role of the Methionine Ligand in Copper Monooxygenases","Journal of the American Chemical Society","2006","128","","3445","3458","10.1021/ja057745v","","","0.71073","MoKα","","0.0799","0.0566","","","0.1264","0.1334","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110465","17.524","0.002","9.7927","0.0013","23.842","0.003","90","","109.852","0.002","90","","3848.3","0.8","173","2","173","2","","","","","","","Nermeen W. Aboelella","6","P 1 21/n 1","-P 2yn","14","05030","","","- C40 H48.53 Cl1.47 Cu N2 S -","- C40 H48.527 Cl1.473 Cu N2 S -","- C160 H194.108 Cl5.892 Cu4 N8 S4 -","4","1","","Nermeen W. Aboelella; Benjamin F. Gherman; Lyndal M. R. Hill; John T. York; Nicole Holm; Victor G. Young; Christopher J. Cramer; William B. Tolman","Effects of Thioether Substituents on the O2 Reactivity of β-Diketiminate-Cu(I) Complexes: Probing the Role of the Methionine Ligand in Copper Monooxygenases","Journal of the American Chemical Society","2006","128","","3445","3458","10.1021/ja057745v","","","0.71073","MoKα","","0.0965","0.0472","","","0.1122","0.1424","","","","","","1.108","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110466","15.3298","0.0011","20.5896","0.0017","17.0866","0.0013","90","","102.373","0.003","90","","5267.9","0.7","100","2","100","1","","","","","","","Nermeen W. Aboelella","5","P 1 21/n 1","-P 2yn","14","CMC0384","","","- C56 H78 Cu2 N4 S2 -","- C56 H78 Cu2 N4 S2 -","- C224 H312 Cu8 N16 S8 -","4","1","","Nermeen W. Aboelella; Benjamin F. Gherman; Lyndal M. R. Hill; John T. York; Nicole Holm; Victor G. Young; Christopher J. Cramer; William B. Tolman","Effects of Thioether Substituents on the O2 Reactivity of β-Diketiminate-Cu(I) Complexes: Probing the Role of the Methionine Ligand in Copper Monooxygenases","Journal of the American Chemical Society","2006","128","","3445","3458","10.1021/ja057745v","","","0.48595","","","0.0741","0.0483","","","0.1084","0.119","","","","","","1.063","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110467","22.221","0.003","17.274","0.002","10.8415","0.0015","90","","92.558","0.002","90","","4157.3","0.9","173","2","173","2","","","","","","","Nermeen W. Aboelella","6","C 1 c 1","C -2yc","9","05208","","","- C46 H54 Cu N2 P S -","- C46 H54 Cu N2 P S -","- C184 H216 Cu4 N8 P4 S4 -","4","1","","Nermeen W. Aboelella; Benjamin F. Gherman; Lyndal M. R. Hill; John T. York; Nicole Holm; Victor G. Young; Christopher J. Cramer; William B. Tolman","Effects of Thioether Substituents on the O2 Reactivity of β-Diketiminate-Cu(I) Complexes: Probing the Role of the Methionine Ligand in Copper Monooxygenases","Journal of the American Chemical Society","2006","128","","3445","3458","10.1021/ja057745v","","","0.71073","MoKα","","0.0653","0.0503","","","0.1142","0.1201","","","","","","1.04","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110468","9.2282","0.0004","30.229","0.0012","9.1425","0.0004","90","","111.419","0.001","90","","2374.24","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H41 Cl Hf N2 -","- C22 H41 Cl Hf N2 -","- C88 H164 Cl4 Hf4 N8 -","4","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0222","0.0204","","","0.041","0.0415","","","","","","1.215","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110469","9.218","0.0013","16.162","0.002","15.474","0.002","90","","92.584","0.002","90","","2303","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Cl N2 Zr -","- C21 H39 Cl N2 Zr -","- C84 H156 Cl4 N8 Zr4 -","4","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0223","0.0208","","","0.0534","0.0544","","","","","","1.085","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110470","8.9207","0.0011","9.2385","0.0012","16.376","0.002","90.222","0.002","94.385","0.002","115.936","0.002","1209.1","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H41 Br N2 Zr -","- C22 H41 Br N2 Zr -","- C44 H82 Br2 N4 Zr2 -","2","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0337","0.0268","","","0.0685","0.0711","","","","","","1.056","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110471","17.3325","0.0008","9.5577","0.0004","17.4875","0.0008","90","","113.47","0.001","90","","2657.3","0.2","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Br0.79 Cl0.21 N2 Zr -","- C24 H45 Br0.79 Cl0.21 N2 Zr -","- C96 H180 Br3.16 Cl0.84 N8 Zr4 -","4","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0265","0.0207","","","0.0514","0.0544","","","","","","1.066","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110472","9.2477","0.0006","30.3164","0.0018","9.1329","0.0006","90","","110.95","0.001","90","","2391.2","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H41 Cl N2 Zr -","- C22 H41 Cl N2 Zr -","- C88 H164 Cl4 N8 Zr4 -","4","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0485","0.0344","","","0.0898","0.0979","","","","","","1.075","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110473","9.0417","0.0005","16.1399","0.0008","15.5233","0.0008","90","","91.879","0.001","90","","2264.1","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 N2 Zr -","- C21 H40 N2 Zr -","- C84 H160 N8 Zr4 -","4","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0566","0.0473","","","0.1273","0.1333","","","","","","1.1","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110474","9.2986","0.0003","16.2375","0.0005","15.5392","0.0004","90","","92.832","0.001","90","","2343.34","0.12","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 N2 Zr -","- C22 H42 N2 Zr -","- C88 H168 N8 Zr4 -","4","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.027","0.0229","","","0.0617","0.0645","","","","","","1.063","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110475","22.4585","0.0004","22.4585","0.0004","8.8491","0.0003","90","","90","","120","","3865.37","0.16","193","2","193","2","","","","","","","","4","P 61","P 61","169","","","","- C23.83 H46 N2 Zr -","- C23.85 H46.04 N2 Zr -","- C143.1 H276.24 N12 Zr6 -","6","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0441","0.0355","","","0.0939","0.1075","","","","","","1.168","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110476","8.8883","0.0005","9.2527","0.0005","16.336","0.0009","88.725","0.001","84.768","0.001","65.939","0.001","1221.48","0.12","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H44 N2 Zr -","- C23 H44 N2 Zr -","- C46 H88 N4 Zr2 -","2","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0273","0.0241","","","0.0633","0.0651","","","","","","1.062","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110477","11.2046","0.0008","13.3258","0.0009","17.327","0.0012","70.929","0.001","72.116","0.001","77.017","0.001","2304.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H41 B F20 N2 Zr -","- C46 H41 B F20 N2 Zr -","- C92 H82 B2 F40 N4 Zr2 -","2","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.06","0.046","","","0.1234","0.1323","","","","","","1.079","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110478","8.8038","0.0005","14.5333","0.0007","29.4585","0.0015","90","","90","","90","","3769.2","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 B N7 O2 Zn -","- C42 H38 B N7 O2 Zn -","- C168 H152 B4 N28 O8 Zn4 -","4","1","","Faith E. Jacobsen; Jana A. Lewis; Seth M. Cohen","A New Role for Old Ligands: Discerning Chelators for Zinc Metalloproteinases","Journal of the American Chemical Society","2006","128","","3156","3157","10.1021/ja057957s","","","0.71073","MoKα","","0.031","0.0288","","","0.0726","0.0736","","","","","","1.043","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110479","10.0324","0.0016","15.908","0.003","17.854","0.003","110.757","0.003","94.391","0.003","103.41","0.003","2552","0.8","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H94 Cl6 F6 Mo4 N12 O16 P -","- C98 H94 Cl6 F6 Mo4 N12 O16 P -","- C98 H94 Cl6 F6 Mo4 N12 O16 P -","1","0.5","","F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Rongmin Yu","Uniquely Strong Electronic Communication between [Mo2] Units Linked by Dioxolene Dianions","Journal of the American Chemical Society","2006","128","","3281","3290","10.1021/ja0582962","","","0.71073","MoKα","","0.0747","0.0436","","","0.1025","0.1205","","","","","","1.014","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110480","11.4374","0.0013","13.6387","0.0016","16.1803","0.0018","95.478","0.002","99.144","0.002","104.669","0.002","2386.2","0.5","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H96 Cl4 Mo4 N12 O16 -","- C98 H96 Cl4 Mo4 N12 O16 -","- C98 H96 Cl4 Mo4 N12 O16 -","1","0.5","","F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Rongmin Yu","Uniquely Strong Electronic Communication between [Mo2] Units Linked by Dioxolene Dianions","Journal of the American Chemical Society","2006","128","","3281","3290","10.1021/ja0582962","","","0.71073","MoKα","","0.0445","0.0359","","","0.0873","0.0954","","","","","","1.052","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110481","12.964","0.002","25.107","0.004","17.187","0.003","90","","103.35","0.003","90","","5443","1.5","213","2","213","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C103 H106 Cl8 Mo4 N12 O17 -","- C103 H90 Cl8 Mo4 N12 O17 -","- C206 H180 Cl16 Mo8 N24 O34 -","2","0.5","","F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Rongmin Yu","Uniquely Strong Electronic Communication between [Mo2] Units Linked by Dioxolene Dianions","Journal of the American Chemical Society","2006","128","","3281","3290","10.1021/ja0582962","","","0.71073","MoKα","","0.0842","0.057","","","0.1478","0.1694","","","","","","1.041","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110482","17.349","0.011","25.446","0.016","12.888","0.008","90","","103.516","0.01","90","","5532","6","213","2","213","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C96 H100 Mo4 N14 O25 -","- C96 H90 Mo4 N14 O25 -","- C192 H180 Mo8 N28 O50 -","2","0.25","","F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Rongmin Yu","Uniquely Strong Electronic Communication between [Mo2] Units Linked by Dioxolene Dianions","Journal of the American Chemical Society","2006","128","","3281","3290","10.1021/ja0582962","","","0.71073","MoKα","","0.1542","0.1259","","","0.3081","0.331","","","","","","1.118","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110483","15.892","0.002","17.715","0.002","20.794","0.003","76.494","0.003","67.595","0.002","72.588","0.002","5116.6","1.1","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H96 Cl4 F6 Mo4 N12 O16 P -","- C98 H96 Cl4 F6 Mo4 N12 O16 P -","- C196 H192 Cl8 F12 Mo8 N24 O32 P2 -","2","1","","F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Rongmin Yu","Uniquely Strong Electronic Communication between [Mo2] Units Linked by Dioxolene Dianions","Journal of the American Chemical Society","2006","128","","3281","3290","10.1021/ja0582962","","","0.71073","MoKα","","0.1257","0.0543","","","0.1241","0.1634","","","","","","1.009","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110484","12.165","0.002","14.823","0.003","17.749","0.003","71.616","0.015","77.542","0.012","84.788","0.008","2964.8","1","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H62 B Cl F20 N O2 P Ti -","- C60 H62 B Cl F20 N O2 P Ti -","- C120 H124 B2 Cl2 F40 N2 O4 P2 Ti2 -","2","1","","Kuangbiao Ma; Warren E. Piers; Masood Parvez","Competitive ArC-H and ArC-X (X = Cl, Br) Activation in Halobenzenes at Cationic Titanium Centers","Journal of the American Chemical Society","2006","128","","3303","3312","10.1021/ja0583618","","","0.71073","MoKα","","0.1365","0.0579","","","0.1337","0.1645","","","","","","0.996","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110485","12.244","0.002","14.765","0.002","17.718","0.003","71.772","0.007","77.525","0.006","84.712","0.007","2969.5","0.8","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H62 B Br F20 N O2 P Ti -","- C60.002 H62 B Br F20 N O2.001 P Ti -","- C120.004 H124 B2 Br2 F40 N2 O4.002 P2 Ti2 -","2","1","","Kuangbiao Ma; Warren E. Piers; Masood Parvez","Competitive ArC-H and ArC-X (X = Cl, Br) Activation in Halobenzenes at Cationic Titanium Centers","Journal of the American Chemical Society","2006","128","","3303","3312","10.1021/ja0583618","","","0.71073","MoKα","","0.1083","0.0755","","","0.2055","0.2294","","","","","","1.05","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110486","12.343","0.002","14.797","0.003","14.932","0.004","83.933","0.009","89.154","0.009","67.526","0.015","2505","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H46 B Cl F20 N P Ti -","- C52 H46 B Cl F20 N P Ti -","- C104 H92 B2 Cl2 F40 N2 P2 Ti2 -","2","1","","Kuangbiao Ma; Warren E. Piers; Masood Parvez","Competitive ArC-H and ArC-X (X = Cl, Br) Activation in Halobenzenes at Cationic Titanium Centers","Journal of the American Chemical Society","2006","128","","3303","3312","10.1021/ja0583618","","","0.71073","MoKα","","0.0693","0.0417","","","0.1003","0.1141","","","","","","0.999","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110487","5.501","0.005","10.385","0.009","16.917","0.014","90","","90","","90","","966.4","1.5","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O -","- C13 H14 O -","- C52 H56 O4 -","4","1","","Vincent Mascitti; E. J. Corey","Enantioselective Synthesis of Pentacycloanammoxic Acid","Journal of the American Chemical Society","2006","128","","3118","3119","10.1021/ja058370g","","","0.71073","MoKα","","0.1887","0.0847","","","0.1809","0.2284","","","","","","1.023","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110488","8.8744","0.0018","19.153","0.004","9.2647","0.0019","90","","108.67","0.03","90","","1491.9","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H45 O P2 Rh -","- C31 H45 O P2 Rh -","- C62 H90 O2 P4 Rh2 -","2","1","","Pinjing Zhao; Christopher D. Incarvito; John F. Hartwig","Direct Observation of β-Aryl Eliminations from Rh(I) Alkoxides","Journal of the American Chemical Society","2006","128","","3124","3125","10.1021/ja058550q","","","0.71073","MoKα","","0.0634","0.0431","","","0.0877","0.0948","","","","","","1.02","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110489","8.9136","0.0011","14.4549","0.0017","14.9526","0.0017","73.416","0.003","75.619","0.003","84.322","0.003","1787.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C H2 B11 Cl11 -","- C H2 B11 Cl11 -","- C4 H8 B44 Cl44 -","4","2","","Evgenii S. Stoyanov; Stephan P. Hoffmann; Mark Juhasz; Christopher A. Reed","The Structure of the Strongest Brønsted Acid: The Carborane Acid H(CHB11Cl11)","Journal of the American Chemical Society","2006","128","","3160","3161","10.1021/ja058581l","","","0.71073","MoKα","","0.121","0.0514","","","0.0812","0.0971","","","","","","1.012","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110490","8.694","0.0017","10.418","0.002","11.275","0.002","90","","110.91","0.03","90","","954","0.4","253","2","253","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Kai-Tai Yip; Min Yang; Ka-Lun Law; Nian-Yong Zhu; Dan Yang","Pd(II)-Catalyzed Enantioselective Oxidative Tandem Cyclization Reactions. Synthesis of Indolines through C-N and C-C Bond Formation","Journal of the American Chemical Society","2006","128","","3130","3131","10.1021/ja060291x","","","0.71073","MoKα","","0.0747","0.0565","","","0.165","0.1737","","","","","","1.167","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110491","5.605","0.0011","11.22","0.002","22.945","0.005","90","","90","","90","","1443","0.5","301","2","301","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N O -","- C18 H14 Cl N O -","- C72 H56 Cl4 N4 O4 -","4","1","","Kai-Tai Yip; Min Yang; Ka-Lun Law; Nian-Yong Zhu; Dan Yang","Pd(II)-Catalyzed Enantioselective Oxidative Tandem Cyclization Reactions. Synthesis of Indolines through C-N and C-C Bond Formation","Journal of the American Chemical Society","2006","128","","3130","3131","10.1021/ja060291x","","","0.71073","MoKα","","0.0545","0.033","","","0.0699","0.0742","","","","","","0.845","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110492","10.0193","0.0006","20.799","0.001","12.0023","0.0007","90","","112.696","0.002","90","","2307.5","0.2","273.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 B2 F8 N6 Pd2 -","- C12 H18 B2 F8 N6 Pd2 -","- C48 H72 B8 F32 N24 Pd8 -","4","1","","Tetsuro Murahashi; Hiromitsu Nakashima; Tomoki Nagai; Yukari Mino; Taketoshi Okuno; M. Abdul Jalil; Hideo Kurosawa","Stereoretentive Elimination and Trans-olefination of the Dicationic Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes","Journal of the American Chemical Society","2006","128","","4377","4388","10.1021/ja0576740","","","0.7107","MoKα","","","0.0406","","","","0.0501","","","","","","2.427","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110493","17.2416","0.0003","12.1588","0.0003","29.5145","0.0005","90","","90","","90","","6187.3","0.2","277.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H36 B2 F8 N4 Pd2 -","- C22 H36 B2 F8.5 N4 Pd2 -","- C176 H288 B16 F68 N32 Pd16 -","8","1","","Tetsuro Murahashi; Hiromitsu Nakashima; Tomoki Nagai; Yukari Mino; Taketoshi Okuno; M. Abdul Jalil; Hideo Kurosawa","Stereoretentive Elimination and Trans-olefination of the Dicationic Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes","Journal of the American Chemical Society","2006","128","","4377","4388","10.1021/ja0576740","","","0.7107","MoKα","","","0.0359","","","","0.0401","","","","","","0.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110494","14.4348","0.0003","14.8652","0.0004","16.9596","0.0004","72.4075","0.0005","90.278","0.001","81.7435","0.0007","3428.48","0.14","213.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 B2 F8 O Pd2 -","- C36 H33 B2 F8 O Pd2 -","- C144 H132 B8 F32 O4 Pd8 -","4","2","","Tetsuro Murahashi; Hiromitsu Nakashima; Tomoki Nagai; Yukari Mino; Taketoshi Okuno; M. Abdul Jalil; Hideo Kurosawa","Stereoretentive Elimination and Trans-olefination of the Dicationic Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes","Journal of the American Chemical Society","2006","128","","4377","4388","10.1021/ja0576740","","","0.7107","MoKα","","","0.0423","","","","0.0805","","","","","","0.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110495","32.791","0.004","8.962","0.002","19.133","0.003","90","","113.577","0.01","90","","5153.3","1.6","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 F12 N2 P4 Pd2 -","- C46 H44 F12 N2 P4 Pd2 -","- C184 H176 F48 N8 P16 Pd8 -","4","0.5","","Tetsuro Murahashi; Hiromitsu Nakashima; Tomoki Nagai; Yukari Mino; Taketoshi Okuno; M. Abdul Jalil; Hideo Kurosawa","Stereoretentive Elimination and Trans-olefination of the Dicationic Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes","Journal of the American Chemical Society","2006","128","","4377","4388","10.1021/ja0576740","","","0.7107","MoKα","","","0.0774","","","","0.0746","","","","","","3.569","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110496","11.2882","0.0007","13.2925","0.0007","22.3203","0.0015","90","0.001","98.459","0.001","90","0.001","3312.7","0.3","200.15","","200.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H55 N Si5 -","- C27 H55 N Si5 -","- C108 H220 N4 Si20 -","4","1","","Takashi Abe; Takeaki Iwamoto; Chizuko Kabuto; Mitsuo Kira","Synthesis, Structure, and Bonding of Stable Dialkylsilaketenimines","Journal of the American Chemical Society","2006","128","","4228","4229","10.1021/ja057917o","","","0.7107","MoKα","","0.06","0.0572","","","0.1372","0.1383","","","","","","1.31","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110497","11.737","0.003","18.39","0.005","16.713","0.005","90","","100.589","0.001","90","","3546","1.7","243.15","","243.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H57 N Si5 -","- C29 H57 N Si5 -","- C116 H228 N4 Si20 -","4","1","","Takashi Abe; Takeaki Iwamoto; Chizuko Kabuto; Mitsuo Kira","Synthesis, Structure, and Bonding of Stable Dialkylsilaketenimines","Journal of the American Chemical Society","2006","128","","4228","4229","10.1021/ja057917o","","","0.7107","MoKα","","0.1241","0.0566","","","0.1058","0.1386","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110498","14.0709","0.0002","14.403","0.0002","16.1673","0.0003","103.526","0.001","104.757","0.001","94.708","0.001","3045.4","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H82 Ag2 N8 O9 -","- C52 H62 Ag2 N8 O10 -","- C104 H124 Ag4 N16 O20 -","2","1","","Jonathan L. Sessler; Elisa Tomat; Vincent M. Lynch","Positive Homotropic Allosteric Binding of Silver(I) Cations in a Schiff Base Oligopyrrolic Macrocycle","Journal of the American Chemical Society","2006","128","","4184","4185","10.1021/ja0582004","","","0.71073","MoKα","","0.1295","0.0563","","","0.1131","0.1222","","","","","","1.459","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110499","13.367","0.005","15.164","0.005","19.145","0.005","90","0.005","90","0.005","90","0.005","3881","2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","[Et4N][Mo(Cl)(PPh3)(mnt)2].CH2Cl2","","- C35 H37 Cl3 Mo N5 P S4 -","- C35 H37 Cl3 Mo N5 P S4 -","- C140 H148 Cl12 Mo4 N20 P4 S16 -","4","0.5","","Amit Majumdar; Kuntal Pal; Sabyasachi Sarkar","Chemistry of [Et4N][MoIV(SPh)(PPh3)(mnt)2] as an Analogue of Dissimilatory Nitrate Reductase with Its Inactivation on Substitution of Thiolate by Chloride","Journal of the American Chemical Society","2006","128","","4196","4197","10.1021/ja0586135","","","0.71069","MoKα","","0.0924","0.0721","","","0.1841","0.1971","","","","","","1.033","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110500","10.882","0.005","11.881","0.005","17.999","0.005","98.561","0.005","103.122","0.005","97.945","0.005","2205","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[Et4N][Mo(SPh)(PPh3)(mnt)2].CH2Cl2","","- C41 H42 Cl2 Mo N5 P S5 -","- C41 H42 Cl2 Mo N5 P S5 -","- C82 H84 Cl4 Mo2 N10 P2 S10 -","2","1","","Amit Majumdar; Kuntal Pal; Sabyasachi Sarkar","Chemistry of [Et4N][MoIV(SPh)(PPh3)(mnt)2] as an Analogue of Dissimilatory Nitrate Reductase with Its Inactivation on Substitution of Thiolate by Chloride","Journal of the American Chemical Society","2006","128","","4196","4197","10.1021/ja0586135","","","0.71069","MoKα","","0.0759","0.0576","","","0.1259","0.1358","","","","","","1.068","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110501","25.3637","0.0001","25.3637","0.0001","68.031","0.0007","90","","90","","90","","43765.5","0.5","90","2","90","0.2","","","","","","","","9","I 41/a c d :2","-I 4bd 2c","142","","","","- C142 H176 B4 F12 Fe4 N78 Ni4 O27 S4 -","- C142 H176 B4 F12 Fe4 N78 Ni4 O27 S4 -","- C1136 H1408 B32 F96 Fe32 N624 Ni32 O216 S32 -","8","0.25","","Dongfeng Li; Sean Parkin; Guangbin Wang; Gordon T. Yee; Rodolphe Clérac; Wolfgang Wernsdorfer; Stephen M. Holmes","An S=6 Cyanide-Bridged Octanuclear FeIII4NiII4 Complex that Exhibits Slow Relaxation of the Magnetization","Journal of the American Chemical Society","2006","128","","4214","4215","10.1021/ja058626i","","","1.54178","CuKα","","0.1681","0.1148","","","0.3336","0.3821","","","","","","1.382","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110502","12.4802","0.0006","21.0374","0.001","13.4698","0.0005","90","","90","","90","","3536.5","0.3","298","","298","","","","","","","","","2","A m m 2","A 2 -2","38","Zeolite ITQ-24","IWR","","- O2 Si -","- O2 Si -","- O112 Si56 -","56","7","","Angel Cantín; Avelino Corma; Maria J. Diaz-Cabanas; Jose L. Jordá; Manuel Moliner","Rational Design and HT Techniques Allow the Synthesis of New IWR Zeolite Polymorphs","Journal of the American Chemical Society","2006","128","","4216","4217","10.1021/ja0603599","powder diffraction","","","CuKα","","","","","","","","","6.7843","3.01","","","","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110503","20.72","0.003","7.0822","0.001","22.878","0.003","90","","90","","90","","3357.2","0.8","223","2","223","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C11 H9 Cd N Na O10 S -","- C11 H9 Cd N Na O10 S -","- C88 H72 Cd8 N8 Na8 O80 S8 -","8","1","","Satoshi Horike; Ryotaro Matsuda; Daisuke Tanaka; Motohiro Mizuno; Kazunaka Endo; Susumu Kitagawa","Immobilization of Sodium Ions on the Pore Surface of a Porous Coordination Polymer","Journal of the American Chemical Society","2006","128","","4222","4223","10.1021/ja0606879","","","0.7107","MoKα","","0.0744","0.074","","","0.1998","0.2001","","","","","","1.098","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110504","39.522","0.019","11.059","0.005","17.032","0.008","90","","106.713","0.014","90","","7130","6","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H62 Co N3 P2 Si3 -","- C26 H62 Co N3 P2 Si3 -","- C208 H496 Co8 N24 P16 Si24 -","8","1","","Michael J. Ingleson; Maren Pink; Kenneth G. Caulton","Reducing Power of Three-Coordinate Cobalt(I)","Journal of the American Chemical Society","2006","128","","4248","4249","10.1021/ja0607279","","","0.71073","MoKα","","0.0453","0.033","","","0.0766","0.0847","","","","","","1.084","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110505","21.527","0.005","9.883","0.003","21.065","0.005","90","","116.076","0.005","90","","4025.4","1.8","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H58 Co I3 N P2 Si2 -","- C28 H58 Co I3 N P2 Si2 -","- C112 H232 Co4 I12 N4 P8 Si8 -","4","1","","Michael J. Ingleson; Maren Pink; Kenneth G. Caulton","Reducing Power of Three-Coordinate Cobalt(I)","Journal of the American Chemical Society","2006","128","","4248","4249","10.1021/ja0607279","","","0.71073","MoKα","","0.0712","0.0374","","","0.0844","0.1026","","","","","","1.021","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110506","9.6788","0.0006","10.9806","0.0007","16.3051","0.001","77.922","0.001","76.998","0.001","86.376","0.001","1650.85","0.18","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C48 H28 -","- C48 H28 -","- C96 H56 -","2","1","","Noach Treitel; Lior Eshdat; Tuvia Sheradsky; Patrick M. Donovan; Rik R. Tykwinski; Lawrence T. Scott; Henning Hopf; Mordecai Rabinovitz","Reductive Bergman-Type Cyclizations of Cross-Conjugated Enediynes to Fulvene and Fulvalene Anions: The Role of the Substituent","Journal of the American Chemical Society","2006","128","","4703","4709","10.1021/ja0566477","","","0.71073","MoKα","","0.0616","0.0517","","","0.1427","0.1501","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110507","22.2156","0.0014","14.587","0.0009","8.9384","0.0005","90","","90","","90","","2896.6","0.3","193","2","193","2","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C34 H14 F12 -","- C34 H14 F12 -","- C136 H56 F48 -","4","0.5","","Noach Treitel; Lior Eshdat; Tuvia Sheradsky; Patrick M. Donovan; Rik R. Tykwinski; Lawrence T. Scott; Henning Hopf; Mordecai Rabinovitz","Reductive Bergman-Type Cyclizations of Cross-Conjugated Enediynes to Fulvene and Fulvalene Anions: The Role of the Substituent","Journal of the American Chemical Society","2006","128","","4703","4709","10.1021/ja0566477","","","0.71073","MoKα","","0.0786","0.0463","","","0.1053","0.1197","","","","","","1.023","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110508","11.9228","0.0005","12.6428","0.0006","14.7501","0.0007","73.718","0.002","77.317","0.003","77.917","0.003","2056.06","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H116 N16 Ni4 O20 -","- C72 H108 N16 Ni4 O20 -","- C72 H108 N16 Ni4 O20 -","1","0.5","","Myunghyun Paik Suh; Hoi Ri Moon; Eun Young Lee; Seung Yeon Jang","A Redox-Active Two-Dimensional Coordination Polymer: Preparation of Silver and Gold Nanoparticles and Crystal Dynamics on Guest Removal","Journal of the American Chemical Society","2006","128","","4710","4718","10.1021/ja056963l","","","0.71073","MoKα","","0.1717","0.0723","","","0.2042","0.2769","","","","","","1.054","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110509","12.2254","0.0009","12.3221","0.001","14.6164","0.001","67.236","0.004","73.364","0.004","77.756","0.004","1932.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H108 N16 Ni4 O16 -","- C72 H108 N16 Ni4 O16 -","- C72 H108 N16 Ni4 O16 -","1","0.5","","Myunghyun Paik Suh; Hoi Ri Moon; Eun Young Lee; Seung Yeon Jang","A Redox-Active Two-Dimensional Coordination Polymer: Preparation of Silver and Gold Nanoparticles and Crystal Dynamics on Guest Removal","Journal of the American Chemical Society","2006","128","","4710","4718","10.1021/ja056963l","","","0.71073","MoKα","","0.1338","0.0565","","","0.1437","0.2094","","","","","","1.049","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110510","16.1893","0.0012","16.1893","0.0012","56.712","0.01","90","","90","","120","","12872","3","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C76 H132 Fe4 O18 -","- C76 H132 Fe4 O18 -","- C456 H792 Fe24 O108 -","6","0.166667","","Stefania Accorsi; Anne-Laure Barra; Andrea Caneschi; Guillaume Chastanet; Andrea Cornia; Antonio C. Fabretti; Dante Gatteschi; Cecilia Mortalò; Emiliano Olivieri; Francesca Parenti; Patrick Rosa; Roberta Sessoli; Lorenzo Sorace; Wolfgang Wernsdorfer; Laura Zobbi","Tuning Anisotropy Barriers in a Family of Tetrairon(III) Single-Molecule Magnets with an S = 5 Ground State","Journal of the American Chemical Society","2006","128","","4742","4755","10.1021/ja0576381","","","0.71073","MoKα","","0.0619","0.037","","","0.0991","0.1089","","","","","","1.064","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110511","19.357","0.003","21.617","0.002","24.74","0.004","90","","109.05","0.01","90","","9785","2","203","2","203","2","","","","","","","synthesis","4","C 1 2/c 1","-C 2yc","15","Fe4Ph","","","- C90 H146 Fe4 O19 -","- C90 H146 Fe4 O19 -","- C360 H584 Fe16 O76 -","4","0.5","","Stefania Accorsi; Anne-Laure Barra; Andrea Caneschi; Guillaume Chastanet; Andrea Cornia; Antonio C. Fabretti; Dante Gatteschi; Cecilia Mortalò; Emiliano Olivieri; Francesca Parenti; Patrick Rosa; Roberta Sessoli; Lorenzo Sorace; Wolfgang Wernsdorfer; Laura Zobbi","Tuning Anisotropy Barriers in a Family of Tetrairon(III) Single-Molecule Magnets with an S = 5 Ground State","Journal of the American Chemical Society","2006","128","","4742","4755","10.1021/ja0576381","","","0.71073","MoKα","","0.0688","0.0523","","","0.1363","0.1507","","","","","","1.027","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110512","16.4332","0.0002","16.4332","0.0002","57.6317","0.0009","90","","90","","120","","13478.3","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C80 H144 Fe4 O18 -","- C80 H144 Fe4 O18 -","- C480 H864 Fe24 O108 -","6","0.333333","","Stefania Accorsi; Anne-Laure Barra; Andrea Caneschi; Guillaume Chastanet; Andrea Cornia; Antonio C. Fabretti; Dante Gatteschi; Cecilia Mortalò; Emiliano Olivieri; Francesca Parenti; Patrick Rosa; Roberta Sessoli; Lorenzo Sorace; Wolfgang Wernsdorfer; Laura Zobbi","Tuning Anisotropy Barriers in a Family of Tetrairon(III) Single-Molecule Magnets with an S = 5 Ground State","Journal of the American Chemical Society","2006","128","","4742","4755","10.1021/ja0576381","","","0.71073","MoKα","","0.0806","0.0648","","","0.1586","0.1759","","","","","","1.059","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110513","35.708","0.007","19.298","0.004","21.697","0.004","90","","122.34","0.03","90","","12632","6","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C32 H56 -","- C32 H56 -","- C512 H896 -","16","2","","Chao Wang; Jian Yuan; Guotao Li; Zitao Wang; Shiwei Zhang; Zhenfeng Xi","Metal-Mediated Efficient Synthesis, Structural Characterization, and Skeletal Rearrangement of Octasubstituted Semibullvalenes","Journal of the American Chemical Society","2006","128","","4564","4565","10.1021/ja0579208","","","0.71073","MoKα","","0.1496","0.0463","","","0.0849","0.0956","","","","","","0.891","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4110514","9.7357","0.0019","10.937","0.002","14.409","0.003","72.66","0.03","79.32","0.03","66.81","0.03","1342.2","0.6","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C36 H32 -","- C36 H32 -","- C72 H64 -","2","1","","Chao Wang; Jian Yuan; Guotao Li; Zitao Wang; Shiwei Zhang; Zhenfeng Xi","Metal-Mediated Efficient Synthesis, Structural Characterization, and Skeletal Rearrangement of Octasubstituted Semibullvalenes","Journal of the American Chemical Society","2006","128","","4564","4565","10.1021/ja0579208","","","0.71073","MoKα","","0.1228","0.0651","","","0.1753","0.1905","","","","","","1.199","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110515","33.6916","0.001","13.9812","0.001","31.1808","0.001","90","","117.261","0.01","90","","13056.3","1.6","295","","295","","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Fe N8 O P -","- C36 H26 Fe N8 O P -","- C576 H416 Fe16 N128 O16 P16 -","16","2","","Luminita Marilena Toma; Rodrigue Lescouëzec; Jorge Pasán; Catalina Ruiz-Pérez; Jacqueline Vaissermann; Joan Cano; Rosa Carrasco; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","[Fe(bpym)(CN)4]-: A New Building Block for Designing Single-Chain Magnets","Journal of the American Chemical Society","2006","128","","4842","4853","10.1021/ja058030v","","","0.71073","MoKα","","0.1308","0.0612","","0.0612","0.0578","0.0578","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110516","7.0795","0.0004","10.7418","0.0005","12.6242","0.0007","66.963","0.004","81.613","0.005","87.057","0.005","874","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Fe N8 O4 Zn0.5 -","- C12 H6 Fe N8 O4 Zn0.5 -","- C24 H12 Fe2 N16 O8 Zn -","2","1","","Luminita Marilena Toma; Rodrigue Lescouëzec; Jorge Pasán; Catalina Ruiz-Pérez; Jacqueline Vaissermann; Joan Cano; Rosa Carrasco; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","[Fe(bpym)(CN)4]-: A New Building Block for Designing Single-Chain Magnets","Journal of the American Chemical Society","2006","128","","4842","4853","10.1021/ja058030v","","","0.71073","MoKα","","0.0601","0.0356","","","0.0834","0.0897","","","","","","1.236","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110517","7.0778","0.0003","10.7244","0.0005","12.6516","0.0003","66.722","0.003","81.722","0.003","86.992","0.004","872.95","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Co0.5 Fe N8 O4 -","- C12 H6 Co0.5 Fe N8 O4 -","- C24 H12 Co Fe2 N16 O8 -","2","1","","Luminita Marilena Toma; Rodrigue Lescouëzec; Jorge Pasán; Catalina Ruiz-Pérez; Jacqueline Vaissermann; Joan Cano; Rosa Carrasco; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","[Fe(bpym)(CN)4]-: A New Building Block for Designing Single-Chain Magnets","Journal of the American Chemical Society","2006","128","","4842","4853","10.1021/ja058030v","","","0.71073","MoKα","","0.1074","0.0552","","","0.1129","0.1294","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110518","6.9927","0.0006","10.8763","0.0008","12.2831","0.0013","69.21","0.007","81.602","0.007","87.821","0.006","863.9","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Cu Fe N16 O8 -","- C12 H6 Cu0.5 Fe N8 O4 -","- C24 H12 Cu Fe2 N16 O8 -","2","1","","Luminita Marilena Toma; Rodrigue Lescouëzec; Jorge Pasán; Catalina Ruiz-Pérez; Jacqueline Vaissermann; Joan Cano; Rosa Carrasco; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","[Fe(bpym)(CN)4]-: A New Building Block for Designing Single-Chain Magnets","Journal of the American Chemical Society","2006","128","","4842","4853","10.1021/ja058030v","","","0.71073","MoKα","","0.1648","0.0668","","","0.1094","0.1335","","","","","","0.979","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110519","7.1305","0.0003","10.7429","0.0006","12.7093","0.0007","66.882","0.004","81.549","0.005","86.828","0.005","885.66","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Fe Mn N16 O8 -","- C12 H6 Fe Mn0.5 N8 O4 -","- C24 H12 Fe2 Mn N16 O8 -","2","1","","Luminita Marilena Toma; Rodrigue Lescouëzec; Jorge Pasán; Catalina Ruiz-Pérez; Jacqueline Vaissermann; Joan Cano; Rosa Carrasco; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","[Fe(bpym)(CN)4]-: A New Building Block for Designing Single-Chain Magnets","Journal of the American Chemical Society","2006","128","","4842","4853","10.1021/ja058030v","","","0.71073","MoKα","","0.0758","0.0415","","","0.0882","0.0992","","","","","","1.09","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110520","27.185","0.016","5.257","0.001","35.097","0.007","90","","112.327","0.011","90","","4640","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ImPV","","","- C54 H68 N2 O6 -","- C54 H68 N2 O6 -","- C216 H272 N8 O24 -","4","0.5","","Olivier J. Dautel; Guillaume Wantz; Robert Almairac; David Flot; Lionel Hirsch; Jean-Pierre Lere-Porte; Jean-Paul Parneix; Françoise Serein-Spirau; Laurence Vignau; Joël J. E. Moreau","Nanostructuration of Phenylenevinylenediimide-Bridged Silsesquioxane: From Electroluminescent Molecular J-Aggregates to Photoresponsive Polymeric H-Aggregates","Journal of the American Chemical Society","2006","128","","4892","4901","10.1021/ja058680z","","","0.873","","","0.0804","0.0603","","","0.1447","0.1541","","","","","","1.009","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110521","18.88","0.005","10.012","0.002","16.449","0.003","90","","106.9","0.03","90","","2975","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-{(E)-2-[4-((E)-2-{1,3-dioxo-2-[3-(triethoxysilyl)propyl]-2,3-dihydro -1H-isoindol-5-yl}vinyl)-2,5-bis(octyloxy)phenyl]vinyl} -2-[3-(triethoxysilyl)propyl]-1H-isoindole-1,3(2H)-dione","","- C60 H88 N2 O12 Si2 -","- C60 H88 N2 O12 Si2 -","- C120 H176 N4 O24 Si4 -","2","0.5","","Olivier J. Dautel; Guillaume Wantz; Robert Almairac; David Flot; Lionel Hirsch; Jean-Pierre Lere-Porte; Jean-Paul Parneix; Françoise Serein-Spirau; Laurence Vignau; Joël J. E. Moreau","Nanostructuration of Phenylenevinylenediimide-Bridged Silsesquioxane: From Electroluminescent Molecular J-Aggregates to Photoresponsive Polymeric H-Aggregates","Journal of the American Chemical Society","2006","128","","4892","4901","10.1021/ja058680z","","","0.70935","","","0.0822","0.0689","","","0.1956","0.2073","","","","","","1.033","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110522","15.0434","0.0011","15.8902","0.0009","16.1425","0.0011","90","","117.096","0.001","90","","3435.2","0.4","143","1","143","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 Zn5 -","- C30 H50 Zn5 -","- C120 H200 Zn20 -","4","1","","Alfred Wooten; Patrick J. Carroll; Aaron G. Maestri; Patrick J. Walsh","Unprecedented Alkene Complex of Zinc(II): Structures and Bonding of Divinylzinc Complexes","Journal of the American Chemical Society","2006","128","","4624","4631","10.1021/ja058700x","","","0.71069","MoKα","","0.0819","0.0624","","","0.1456","0.1624","","","","","","1.07","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110523","19.7796","0.0013","9.9314","0.0005","19.5957","0.0013","90","","116.033","0.001","90","","3458.8","0.4","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H28 Zn2 -","- C16 H28 Zn2 -","- C128 H224 Zn16 -","8","4","","Alfred Wooten; Patrick J. Carroll; Aaron G. Maestri; Patrick J. Walsh","Unprecedented Alkene Complex of Zinc(II): Structures and Bonding of Divinylzinc Complexes","Journal of the American Chemical Society","2006","128","","4624","4631","10.1021/ja058700x","","","0.71069","MoKα","","0.076","0.0485","","","0.1245","0.1975","","","","","","0.98","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110524","7.9204","0.0007","10.0335","0.0009","10.7203","0.001","92.69","0.003","103.533","0.003","90.847","0.002","827.08","0.13","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 Zn -","- C18 H22 N2 Zn -","- C36 H44 N4 Zn2 -","2","1","","Alfred Wooten; Patrick J. Carroll; Aaron G. Maestri; Patrick J. Walsh","Unprecedented Alkene Complex of Zinc(II): Structures and Bonding of Divinylzinc Complexes","Journal of the American Chemical Society","2006","128","","4624","4631","10.1021/ja058700x","","","0.71069","MoKα","","0.028","0.0262","","","0.0822","0.0871","","","","","","1.147","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110525","7.6512","0.0005","10.1283","0.0005","10.8664","0.0006","67.896","0.006","73.652","0.006","78.542","0.007","744.56","0.08","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 Zn -","- C16 H18 N2 Zn -","- C32 H36 N4 Zn2 -","2","1","","Alfred Wooten; Patrick J. Carroll; Aaron G. Maestri; Patrick J. Walsh","Unprecedented Alkene Complex of Zinc(II): Structures and Bonding of Divinylzinc Complexes","Journal of the American Chemical Society","2006","128","","4624","4631","10.1021/ja058700x","","","0.71069","MoKα","","0.0248","0.022","","","0.0543","0.0554","","","","","","1.082","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110526","16.0491","0.0009","11.6123","0.0007","9.0954","0.0005","90","","102.39","0.002","90","","1655.6","0.16","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 N2 Zn -","- C14 H30 N2 Zn -","- C56 H120 N8 Zn4 -","4","1","","Alfred Wooten; Patrick J. Carroll; Aaron G. Maestri; Patrick J. Walsh","Unprecedented Alkene Complex of Zinc(II): Structures and Bonding of Divinylzinc Complexes","Journal of the American Chemical Society","2006","128","","4624","4631","10.1021/ja058700x","","","0.71069","MoKα","","0.043","0.039","","","0.1132","0.1154","","","","","","1.184","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110527","11.0092","0.0006","18.7121","0.0011","20.1675","0.0011","90","","105.528","0.001","90","","4003","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 F5 Mo N3 S -","- C42 H54 F5 Mo N3 S -","- C168 H216 F20 Mo4 N12 S4 -","4","1","","Arjun Mendiratta; Christopher C. Cummins; Olga P. Kryatova; Elena V. Rybak-Akimova; James E. McDonough; Carl D. Hoff","Benzonitrile Extrusion from Molybdenum(IV) Ketimide Complexes Obtained via Radical C-E (E = O, S, Se) Bond Formation: Toward a New Nitrogen Atom Transfer Reaction","Journal of the American Chemical Society","2006","128","","4881","4891","10.1021/ja0587796","","","0.71073","MoKα","","0.097","0.0764","","","0.1393","0.147","","","","","","1.201","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110528","10.8341","0.0011","19.982","0.002","20.569","0.002","89.669","0.002","81.701","0.002","75.221","0.002","4258.3","0.7","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H64 Mo N3 O2.5 -","- C45 H64 Mo N3 O2.5 -","- C180 H256 Mo4 N12 O10 -","4","2","","Arjun Mendiratta; Christopher C. Cummins; Olga P. Kryatova; Elena V. Rybak-Akimova; James E. McDonough; Carl D. Hoff","Benzonitrile Extrusion from Molybdenum(IV) Ketimide Complexes Obtained via Radical C-E (E = O, S, Se) Bond Formation: Toward a New Nitrogen Atom Transfer Reaction","Journal of the American Chemical Society","2006","128","","4881","4891","10.1021/ja0587796","","","0.71073","MoKα","","0.0483","0.0382","","","0.0947","0.1008","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110529","10.6395","0.001","12.8842","0.0014","18.843","0.002","70.329","0.004","74.155","0.003","76.599","0.003","2311.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","fluorinated thio ketimide","","","- C49 H59 F5 Mo N4 S -","- C49 H59 F5 Mo N4 S -","- C98 H118 F10 Mo2 N8 S2 -","2","1","","Arjun Mendiratta; Christopher C. Cummins; Olga P. Kryatova; Elena V. Rybak-Akimova; James E. McDonough; Carl D. Hoff","Benzonitrile Extrusion from Molybdenum(IV) Ketimide Complexes Obtained via Radical C-E (E = O, S, Se) Bond Formation: Toward a New Nitrogen Atom Transfer Reaction","Journal of the American Chemical Society","2006","128","","4881","4891","10.1021/ja0587796","","","0.71073","MoKα","","0.0455","0.0371","","","0.0865","0.0917","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110530","48.25","0.002","48.65","0.002","35.6515","0.0014","90","","131.386","0.002","90","","62788","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","COV-10CdS-FePAL","","","- C264 H244 Cd32 Fe N6 S52 -","- C246 Cd32 Fe0.5 N3 S52 -","- C1968 Cd256 Fe4 N24 S416 -","8","1","","Nanfeng Zheng; Haiwei Lu; Xianhui Bu; Pingyun Feng","Metal-Chelate Dye-Controlled Organization of Cd32S14(SPh)404- Nanoclusters into Three-Dimensional Molecular and Covalent Open Architecture","Journal of the American Chemical Society","2006","128","","4528","4529","10.1021/ja060006+","","","0.71073","MoKα","","0.0935","0.0628","","","0.2021","0.2307","","","","","","1.147","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110531","48.448","0.006","48.898","0.007","35.851","0.005","90","","131.502","0.003","90","","63608","15","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","COV-10CdS-RuPAL","","","- C264 H244 Cd32 N6 Ru S52 -","- C246 Cd32 N3 Ru0.943 S52 -","- C1968 Cd256 N24 Ru7.544 S416 -","8","1","","Nanfeng Zheng; Haiwei Lu; Xianhui Bu; Pingyun Feng","Metal-Chelate Dye-Controlled Organization of Cd32S14(SPh)404- Nanoclusters into Three-Dimensional Molecular and Covalent Open Architecture","Journal of the American Chemical Society","2006","128","","4528","4529","10.1021/ja060006+","","","0.71073","MoKα","","0.0946","0.0613","","","0.2052","0.2263","","","","","","1.045","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110532","46.374","0.002","51.581","0.002","53.407","0.002","90","","90","","90","","127750","9","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","COV-11CdS-FeBPy","","","- C258 H214 Cd32 Fe N6 S52 -","- C216 Cd32 Fe0.6295 S52 -","- C3456 Cd512 Fe10.072 S832 -","16","0.5","","Nanfeng Zheng; Haiwei Lu; Xianhui Bu; Pingyun Feng","Metal-Chelate Dye-Controlled Organization of Cd32S14(SPh)404- Nanoclusters into Three-Dimensional Molecular and Covalent Open Architecture","Journal of the American Chemical Society","2006","128","","4528","4529","10.1021/ja060006+","","","0.71073","MoKα","","0.142","0.0761","","","0.2607","0.3087","","","","","","1.152","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110533","20.9325","0.0004","46.3439","0.0009","34.2172","0.0007","90","","92.061","0.001","90","","33172.4","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MOL-6CdS-FePAL","","","- C312 H248 Cd32 Fe2 N12 S54 -","- C274 Cd32 Fe2 N12 S54 -","- C1096 Cd128 Fe8 N48 S216 -","4","1","","Nanfeng Zheng; Haiwei Lu; Xianhui Bu; Pingyun Feng","Metal-Chelate Dye-Controlled Organization of Cd32S14(SPh)404- Nanoclusters into Three-Dimensional Molecular and Covalent Open Architecture","Journal of the American Chemical Society","2006","128","","4528","4529","10.1021/ja060006+","","","0.71073","MoKα","","0.1699","0.0967","","","0.2906","0.3599","","","","","","1.041","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110534","21.5681","0.0009","22.3296","0.0009","43.8461","0.0019","76.238","0.002","78.705","0.002","84.428","0.002","20084.8","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","MOL-7CdS-FeTMPAL","","","- C370 Cd32 Fe2 N15 S54 -","- C330 Cd32 Fe2 N18 S54 -","- C660 Cd64 Fe4 N36 S108 -","2","1","","Nanfeng Zheng; Haiwei Lu; Xianhui Bu; Pingyun Feng","Metal-Chelate Dye-Controlled Organization of Cd32S14(SPh)404- Nanoclusters into Three-Dimensional Molecular and Covalent Open Architecture","Journal of the American Chemical Society","2006","128","","4528","4529","10.1021/ja060006+","","","0.71073","MoKα","","0.1569","0.0683","","","0.2121","0.2389","","","","","","1.025","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110535","12.214","0.005","15.812","0.007","16.782","0.007","90","","98.318","0.006","90","","3207","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 F3 P2 Pd -","- C33 H29 F3 P2 Pd -","- C132 H116 F12 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.0292","0.0245","","","0.0587","0.0609","","","","","","1.075","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110536","9.215","0.002","26.278","0.007","12.097","0.003","90","","101.897","0.004","90","","2866.4","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 Cl1.5 F3 P2 Pd -","- C30 H24 Cl1.5 F3 P2 Pd -","- C120 H96 Cl6 F12 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71069","MoKα","","0.0465","0.0354","","","0.0865","0.0943","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110537","11.265","0.004","22.727","0.009","13.333","0.005","90","","111.946","0.007","90","","3166","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 F3 P2 Pd -","- C34 H31 F3 P2 Pd -","- C136 H124 F12 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.0308","0.027","","","0.0731","0.0755","","","","","","1.06","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110538","8.625","0.004","13.616","0.006","22.834","0.01","90","","90","","90","","2682","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 I P2 Pd -","- C26.8601 H24 F2.5803 I P2 Pd -","- C107.44 H96 F10.3212 I4 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.03","0.0284","","","0.0808","0.0817","","","","","","1.091","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110539","8.361","0.003","16.466","0.006","11.389","0.004","90","","110.163","0.005","90","","1471.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 F3 N2 Pd -","- C13 H21 F3 N2 Pd -","- C52 H84 F12 N8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.0193","0.0183","","","0.0467","0.0473","","","","","","1.068","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110540","15.702","0.005","8.55","0.003","11.809","0.003","90","","94.882","0.005","90","","1579.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 F6 N2 Pd -","- C12 H24 F6 N2 Pd -","- C48 H96 F24 N8 Pd4 -","4","0.5","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.014","0.0138","","","0.0354","0.0355","","","","","","1.066","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110541","8.0634","0.0006","14.7398","0.0012","19.8663","0.0014","90","","110.509","0.003","90","","2211.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H34 F6 P2 Pd -","- C17 H34 F6 P2 Pd -","- C68 H136 F24 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.0555","0.0427","","","0.1047","0.1132","","","","","","1.037","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110542","41.609","0.008","10.381","0.002","15.233","0.003","90","","104.47","0.03","90","","6371","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H51 Cl P2 Pd -","- C27 H51 Cl P2 Pd -","- C216 H408 Cl8 P16 Pd8 -","8","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71069","MoKα","","0.0733","0.0565","","","0.1386","0.1499","","","","","","1.175","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110543","9.6235","0.0019","13.77","0.003","21.883","0.004","90","","90","","90","","2899.8","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 Cl O P2 Pd -","- C31.19 H35 Cl0.961 O P2 Pd -","- C124.76 H140 Cl3.844 O4 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.0417","0.0377","","","0.0829","0.0845","","","","","","1.025","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110544","21.321","0.003","21.321","0.003","23.846","0.004","90","","90","","120","","9388","2","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C56 H72 Cl6 N6 O9 -","- C56 H72 Cl6 N6 O9 -","- C336 H432 Cl36 N36 O54 -","6","1","","Margaret A. Schmitt; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","New Helical Foldamers: Heterogeneous Backbones with 1:2 and 2:1 α:β-Amino Acid Residue Patterns","Journal of the American Chemical Society","2006","128","","4538","4539","10.1021/ja060281w","","","0.71073","MoKα","","0.1928","0.1581","","","0.374","0.3981","","","","","","1.389","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110545","15.5904","0.0009","23.5849","0.0014","28.7199","0.0017","101.915","0.0009","93.0456","0.0008","103.457","0.0008","9992","1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C47.93 H73.01 Cl5.79 N7 O10.04 -","- C47.9286 H72.9286 Cl5.78571 N7 O10.0429 -","- C335.5 H510.5 Cl40.5 N49 O70.3 -","7","7","","Margaret A. Schmitt; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","New Helical Foldamers: Heterogeneous Backbones with 1:2 and 2:1 α:β-Amino Acid Residue Patterns","Journal of the American Chemical Society","2006","128","","4538","4539","10.1021/ja060281w","","","0.71073","Mo-Kα","","0.0721","0.0643","","","0.1692","0.1753","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110546","31.7037","0.0011","10.2735","0.0004","19.8389","0.0007","90","","100.942","0.003","90","","6344.2","0.4","223","","223","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H38 N2 O3 S Si -","- C34 H38 N2 O3 S Si -","- C272 H304 N16 O24 S8 Si8 -","8","2","","Ken Tanaka; Kenzo Takeishi; Keiichi Noguchi","Enantioselective Synthesis of Axially Chiral Anilides through Rhodium-Catalyzed [2+2+2] Cycloaddition of 1,6-Diynes with Trimethylsilylynamides","Journal of the American Chemical Society","2006","128","","4586","4587","10.1021/ja060348f","","","1.5418","CuKα","","0.0449","0.0378","","","0.102","0.1079","","","","","","1.07","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110547","8.822","0.002","10.189","0.002","12.997","0.002","104.96","0.03","98.34","0.03","108.47","0.03","1037.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","anne","","","- C23 H30 O2 S -","- C23 H30 O2 S -","- C46 H60 O4 S2 -","2","1","","Genia Sklute; Ilan Marek","New Multicomponent Approach for the Creation of Chiral Quaternary Centers in the Carbonyl Allylation Reactions","Journal of the American Chemical Society","2006","128","","4642","4649","10.1021/ja060498q","","","0.7107","MoKα","","0.1408","0.0687","","","0.1693","0.2108","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110548","11.105","0.002","16.363","0.003","12","0.002","90","","114.12","0.03","90","","1990.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Marek-5 Dvora","","","- C22 H28 O2 S -","- C22 H28 O2 S -","- C88 H112 O8 S4 -","4","1","","Genia Sklute; Ilan Marek","New Multicomponent Approach for the Creation of Chiral Quaternary Centers in the Carbonyl Allylation Reactions","Journal of the American Chemical Society","2006","128","","4642","4649","10.1021/ja060498q","","","0.71073","MoKα","","0.0997","0.0554","","","0.1266","0.1383","","","","","","0.875","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110549","7.876","0.0004","6.483","0.0003","15.914","0.0009","90","","98.801","0.003","90","","803","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 O3 S -","- C17 H20 O3 S -","- C34 H40 O6 S2 -","2","1","","Genia Sklute; Ilan Marek","New Multicomponent Approach for the Creation of Chiral Quaternary Centers in the Carbonyl Allylation Reactions","Journal of the American Chemical Society","2006","128","","4642","4649","10.1021/ja060498q","","","0.71073","MoKα","","0.0698","0.0339","","","0.0667","0.0707","","","","","","0.823","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110550","13.232","0.0004","9.003","0.0003","19.634","0.0007","90","","95.81","0.0012","90","","2326.94","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H34 O2 S -","- C25 H33.178 O2 S -","- C100 H132.712 O8 S4 -","4","2","","Genia Sklute; Ilan Marek","New Multicomponent Approach for the Creation of Chiral Quaternary Centers in the Carbonyl Allylation Reactions","Journal of the American Chemical Society","2006","128","","4642","4649","10.1021/ja060498q","","","0.71073","MoKα","","0.1218","0.0571","","","0.1652","0.1815","","","","","","1.138","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110551","18.377","0.002","15.1715","0.0017","36.589","0.004","90","","103.695","0.002","90","","9911.2","1.9","100","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 F3 N O5 Os P S -","- C21 H26.25 F3 N O5 Os P S -","- C336 H420 F48 N16 O80 Os16 P16 S16 -","16","4","","Miguel A. Esteruelas; Francisco J. Fernández-Alvarez; Montserrat Oliván; Enrique Oñate","C-H Bond Activation and Subsequent C-C Bond Formation Promoted by Osmium: 2-Vinylpyridine-Acetylene Couplings","Journal of the American Chemical Society","2006","128","","4596","4597","10.1021/ja060901t","","","0.71073","MoKα","","0.0584","0.0387","","","0.0835","0.0912","","","","","","0.865","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110552","10.5859","0.0016","11.2148","0.0017","12.3287","0.0018","93.636","0.002","98.066","0.002","111.55","0.002","1337.3","0.3","100","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H34 F3 N2 O3 Os P S -","- C24 H34 F3 N2 O3 Os P S -","- C48 H68 F6 N4 O6 Os2 P2 S2 -","2","1","","Miguel A. Esteruelas; Francisco J. Fernández-Alvarez; Montserrat Oliván; Enrique Oñate","C-H Bond Activation and Subsequent C-C Bond Formation Promoted by Osmium: 2-Vinylpyridine-Acetylene Couplings","Journal of the American Chemical Society","2006","128","","4596","4597","10.1021/ja060901t","","","0.71073","MoKα","","0.0223","0.0199","","","0.0373","0.0378","","","","","","0.952","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110553","11.4068","0.0018","14.961","0.002","15.509","0.003","91.093","0.003","108.341","0.002","109.829","0.003","2339.7","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52.5 H61 B Cl3 N2 Os P -","- C52.5 H58 B Cl3 N2 Os P -","- C105 H116 B2 Cl6 N4 Os2 P2 -","2","1","","Miguel A. Esteruelas; Francisco J. Fernández-Alvarez; Montserrat Oliván; Enrique Oñate","C-H Bond Activation and Subsequent C-C Bond Formation Promoted by Osmium: 2-Vinylpyridine-Acetylene Couplings","Journal of the American Chemical Society","2006","128","","4596","4597","10.1021/ja060901t","","","0.71073","MoKα","","0.0399","0.0322","","","0.0622","0.0638","","","","","","0.943","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110554","11.079","0.0005","12.0148","0.0005","14.8266","0.0007","85.691","0.002","70.108","0.002","66.546","0.002","1698.35","0.14","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 Cl2 N7 O9 Ru -","- C29 H36 Cl2 N7 O9 Ru -","- C58 H72 Cl4 N14 O18 Ru2 -","2","1","","Ester Masllorens; Montserrat Rodríguez; Isabel Romero; Anna Roglans; Teodor Parella; Jordi Benet-Buchholz; Macarena Poyatos; Antoni Llobet","Can the Disproportion of Oxidation State III Be Favored in RuII-OH2/RuIVO Systems?","Journal of the American Chemical Society","2006","128","","5306","5307","10.1021/ja057733+","","","0.71073","MoKα","","0.1287","0.0634","","","0.1365","0.1574","","","","","","0.881","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110555","11.993","0.003","29.271","0.006","13.298","0.003","90","","114.615","0.005","90","","4244","1.7","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31.25 H40.5 Br Cl0.5 F6 N8 P Ru -","- C31.25 H40.5 Br Cl0.5 F6 N8 P Ru -","- C125 H162 Br4 Cl2 F24 N32 P4 Ru4 -","4","2","","Ester Masllorens; Montserrat Rodríguez; Isabel Romero; Anna Roglans; Teodor Parella; Jordi Benet-Buchholz; Macarena Poyatos; Antoni Llobet","Can the Disproportion of Oxidation State III Be Favored in RuII-OH2/RuIVO Systems?","Journal of the American Chemical Society","2006","128","","5306","5307","10.1021/ja057733+","","","0.71073","MoKα","","0.1879","0.114","","","0.2833","0.336","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110556","6.126","0.002","7.208","0.003","22.883","0.008","90","","90","","90","","1010.4","0.6","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","Xiaozhong Liu; Joseph M. Fox","Enantioselective, Facially Selective Carbomagnesation of Cyclopropenes","Journal of the American Chemical Society","2006","128","","5600","5601","10.1021/ja058101q","","","0.71073","MoKα","","0.0453","0.0421","","","0.105","0.1075","","","","","","1.042","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110557","5.824","0.0006","7.2935","0.0012","25.316","0.007","90","","96.23","0.02","90","","1069","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H18 S4 -","- C28 H18 S4 -","- C56 H36 S8 -","2","1","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.036","0.0353","","","0.0979","0.0989","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110558","6.3854","0.0015","7.6862","0.0018","12.502","0.003","89.412","0.004","78.66","0.004","80.76","0.004","593.7","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H8 F10 S4 -","- C28 H8 F10 S4 -","- C28 H8 F10 S4 -","1","0.5","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.1096","0.0659","","","0.1426","0.1597","","","","","","0.939","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110559","6.258","0.002","5.0431","0.0014","36.618","0.011","90","","90.71","0.03","90","","1155.6","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H10 F8 S4 -","- C28 H10 F8 S4 -","- C56 H20 F16 S8 -","2","0.5","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.1028","0.086","","","0.2662","0.2722","","","","","","1.293","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110560","25.754","0.005","7.625","0.002","11.842","0.002","90","","90","","90","","2325.5","0.9","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H10 F8 S4 -","- C28 H10 F8 S4 -","- C112 H40 F32 S16 -","4","0.5","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.0694","0.0482","","","0.1129","0.1242","","","","","","1.063","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110561","12.295","0.004","6.06","0.002","28.043","0.01","90","","90.14","0.03","90","","2089.4","1.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H6 F10 S3 -","- C24 H6 F10 S3 -","- C96 H24 F40 S12 -","4","1","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.0684","0.0394","","","0.081","0.0905","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110562","7.106","0.003","13.015","0.003","37.427","0.016","90","","90","","90","","3461","2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H4 F10 S2 -","- C20 H4 F10 S2 -","- C160 H32 F80 S16 -","8","1","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.1158","0.0501","","","0.1204","0.1583","","","","","","0.951","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110563","7.2771","0.0016","12.8839","0.0015","29.459","0.005","90","","90","","90","","2762","0.8","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H2 F10 S -","- C16 H2 F10 S -","- C128 H16 F80 S8 -","8","1","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.0623","0.0388","","","0.0918","0.104","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110564","11.334","0.002","15.006","0.003","11.748","0.002","90","","98.14","0.005","90","","1977.9","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H44 O7 P2 -","- C44 H44 O7 P2 -","- C88 H88 O14 P4 -","2","1","","Liqin Qiu; Fuk Yee Kwong; Jing Wu; Wai Har Lam; Shusun Chan; Wing-Yiu Yu; Yue-Ming Li; Rongwei Guo; Zhongyuan Zhou; Albert S. C. Chan","A New Class of Versatile Chiral-Bridged Atropisomeric Diphosphine Ligands: Remarkably Efficient Ligand Syntheses and Their Applications in Highly Enantioselective Hydrogenation Reactions","Journal of the American Chemical Society","2006","128","","5955","5965","10.1021/ja0602694","","","0.71073","MoKα","","0.0975","0.0662","","","0.1719","0.1898","","","","","","1.035","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110565","10.9522","0.0013","12.8449","0.0015","13.4477","0.0015","85.608","0.003","84.918","0.003","69.34","0.002","1761.1","0.4","294","2","294","2","","","","","","","","4","P 1","P 1","1","","","","- C41 H36 O4 P2 -","- C41 H36 O4 P2 -","- C82 H72 O8 P4 -","2","2","","Liqin Qiu; Fuk Yee Kwong; Jing Wu; Wai Har Lam; Shusun Chan; Wing-Yiu Yu; Yue-Ming Li; Rongwei Guo; Zhongyuan Zhou; Albert S. C. Chan","A New Class of Versatile Chiral-Bridged Atropisomeric Diphosphine Ligands: Remarkably Efficient Ligand Syntheses and Their Applications in Highly Enantioselective Hydrogenation Reactions","Journal of the American Chemical Society","2006","128","","5955","5965","10.1021/ja0602694","","","0.71073","MoKα","","0.1332","0.0612","","","0.1567","0.1776","","","","","","1.023","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110566","11.7451","0.0016","17.359","0.003","19.76","0.003","90","","90","","90","","4028.7","1.1","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H46 O6 P2 -","- C46 H46 O6 P2 -","- C184 H184 O24 P8 -","4","1","","Liqin Qiu; Fuk Yee Kwong; Jing Wu; Wai Har Lam; Shusun Chan; Wing-Yiu Yu; Yue-Ming Li; Rongwei Guo; Zhongyuan Zhou; Albert S. C. Chan","A New Class of Versatile Chiral-Bridged Atropisomeric Diphosphine Ligands: Remarkably Efficient Ligand Syntheses and Their Applications in Highly Enantioselective Hydrogenation Reactions","Journal of the American Chemical Society","2006","128","","5955","5965","10.1021/ja0602694","","","0.71073","MoKα","","0.1376","0.0516","","","0.0731","0.0836","","","","","","1.005","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110567","16.3263","0.001","16.3263","0.001","32.4","0.004","90","","90","","120","","7479.1","1.1","150","2","150","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","Badjic 1424","","","- C61 H40 Cl3 N3 O6 -","- C65.5 H39 Cl3.01 N3 O6 -","- C393 H234 Cl18.06 N18 O36 -","6","0.333333","","Veselin Maslak; Zhiqing Yan; Shijing Xia; Judith Gallucci; Christopher M. Hadad; Jovica D. Badjić","Design, Synthesis, and Conformational Dynamics of a Gated Molecular Basket","Journal of the American Chemical Society","2006","128","","5887","5894","10.1021/ja060534l","","x-ray","0.71073","MoKα","","0.1184","0.1019","","","0.2801","0.2976","","","","","","1.068","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110568","8.221","0.0016","12.674","0.003","17.096","0.003","90","","97.73","0.03","90","","1765.1","0.6","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ag2(bptz)2(CH3CN)2][PF6]2","","","- C28 H22 Ag2 F12 N14 P2 -","- C28 H22 Ag2 F11.976 N14 P1.996 -","- C56 H44 Ag4 F23.952 N28 P3.992 -","2","0.5","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.1108","0.0776","","","0.1897","0.2094","","","","","","1.05","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110569","8.288","0.004","12.736","0.007","17.504","0.009","90","","98.529","0.009","90","","1827.2","1.6","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ag2(bptz)2(CH3CN)2][AsF6]2","","","- C28 H22 Ag2 As2 F12 N14 -","- C28 H22 Ag2 As2 F12 N14 -","- C56 H44 Ag4 As4 F24 N28 -","2","0.5","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.0748","0.0512","","","0.0854","0.0922","","","","","","1.079","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110570","12.363","0.006","12.363","0.006","49.13","0.02","90","","90","","120","","6503","5","110","2","110","2","","","","","","","","6","R -3 :H","-R 3","148","[Ag2(bptz)3][SbF6]2","","","- C36 H24 Ag2 F12 N18 Sb2 -","- C36 H24 Ag2 F12 N18 Sb2 -","- C216 H144 Ag12 F72 N108 Sb12 -","6","0.333333","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.0366","0.0304","","","0.0715","0.0743","","","","","","1.047","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110571","23.316","0.003","14.2368","0.0018","25.069","0.003","90","","115.972","0.003","90","","7481.1","1.6","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ag4(bppn)4][PF6]4.4CH3NO2","","","- C60 H52 Ag4 F24 N20 O8 P4 -","- C60 H52 Ag4 F24 N20 O8 P4 -","- C240 H208 Ag16 F96 N80 O32 P16 -","4","0.5","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.1231","0.0702","","","0.0921","0.1038","","","","","","1.108","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110572","7.284","0.0015","7.687","0.0015","7.827","0.0016","65.05","0.03","74.8","0.03","86.85","0.03","382.67","0.18","110","2","110","2","","","","","","","","6","P -1","-P 1","2","{[Ag(bptz)][PF6]}n","","","- C12 H8 Ag F6 N6 P -","- C12 H8 Ag F6 N6 P -","- C12 H8 Ag F6 N6 P -","1","0.5","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.0796","0.0641","","","0.1415","0.148","","","","","","1.069","","","","has coordinates","295963","2024-11-16","03:02:39",""
"4110573","22.879","0.007","25.283","0.007","8.125","0.002","90","","90.353","0.006","90","","4700","2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ag2(bptz)3][AsF6]2 . 2CH3CN","","","- C40 H30 Ag2 As2 F12 N20 -","- C40 H30 Ag2 As2 F12 N20 -","- C160 H120 Ag8 As8 F48 N80 -","4","1","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.0449","0.0349","","","0.077","0.0806","","","","","","1.088","","","","has coordinates","295962","2024-11-16","02:59:33",""
"4110574","25.673","0.009","8.201","0.003","23.108","0.01","90","","90","","90","","4865","3","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[Ag2(bptz)3][SbF6]2 . 2CH3CN","","","- C40 H30 Ag2 F12 N20 Sb2 -","- C39.98 H30 Ag2 F12 N20 Sb2 -","- C159.92 H120 Ag8 F48 N80 Sb8 -","4","0.5","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.2145","0.0996","","","0.1839","0.2281","","","","","","1.019","","","","has coordinates,has disorder","295962","2024-11-16","02:59:33",""
"4110575","23.595","0.005","14.62","0.003","25.322","0.005","90","","116.38","0.03","90","","7825","3","111","2","111","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ag4(bppn)4][SbF6]4 . CH3NO2","","","- C60 H52 Ag4 F24 N20 O8 Sb4 -","- C60 H52 Ag4 F24 N20 O8 Sb4 -","- C240 H208 Ag16 F96 N80 O32 Sb16 -","4","0.5","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.0609","0.0489","","","0.1149","0.1211","","","","","","1.06","","","","has coordinates","295962","2024-11-16","02:59:33",""
"4110576","15.655","0.007","28.374","0.013","16.335","0.01","90","","94.79","0.03","90","","7231","6","383","2","383","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ag4(bppn)4][BF4]4 . 3CH3NO2 . C6H6","","","- C65 H55 Ag4 B4 F16 N19 O6 -","- C65 H55 Ag4 B4 F16 N19 O6 -","- C260 H220 Ag16 B16 F64 N76 O24 -","4","1","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.1308","0.0485","","","0.1124","0.1582","","","","","","1.046","","","","has coordinates,has disorder","295962","2024-11-16","02:59:34",""
"4110577","11.491","0.0003","14.915","0.0007","15.127","0.0008","75.323","0.0016","79.813","0.0014","74.796","0.003","2403.22","0.18","130","2","130","2","","","","","","","","4","P -1","-P 1","2","IJR-I-97","IJR-I-97","","- C60 H80 N2 O2 -","- C28.5 H36.5 N O -","- C114 H146 N4 O4 -","4","2","","Ian J. Rhile; Todd F. Markle; Hirotaka Nagao; Antonio G. DiPasquale; Oanh P. Lam; Mark A. Lockwood; Katrina Rotter; James M. Mayer","Concerted Proton-Electron Transfer in the Oxidation of Hydrogen-Bonded Phenols","Journal of the American Chemical Society","2006","128","","6075","6088","10.1021/ja054167+","","","0.71073","MoKα","","0.1067","0.0585","","","0.1233","0.1414","","","","","","1.003","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110578","9.474","0.0005","10.58","0.0005","14.734","0.0011","87.108","0.0019","84.814","0.002","77.856","0.0018","1437.15","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","oplDiMeO111","oplDiMeO111","","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","- C64 H80 N4 O8 -","2","1","","Ian J. Rhile; Todd F. Markle; Hirotaka Nagao; Antonio G. DiPasquale; Oanh P. Lam; Mark A. Lockwood; Katrina Rotter; James M. Mayer","Concerted Proton-Electron Transfer in the Oxidation of Hydrogen-Bonded Phenols","Journal of the American Chemical Society","2006","128","","6075","6088","10.1021/ja054167+","","","0.71073","MoKα","","0.0876","0.0555","","","0.1319","0.1483","","","","","","0.999","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110579","18.492","0.004","10.077","0.002","27.86","0.006","90","","91.86","0.03","90","","5188.8","1.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","IR160","IR160","","- C19 H25 N O -","- C19 H25 N O -","- C228 H300 N12 O12 -","12","3","","Ian J. Rhile; Todd F. Markle; Hirotaka Nagao; Antonio G. DiPasquale; Oanh P. Lam; Mark A. Lockwood; Katrina Rotter; James M. Mayer","Concerted Proton-Electron Transfer in the Oxidation of Hydrogen-Bonded Phenols","Journal of the American Chemical Society","2006","128","","6075","6088","10.1021/ja054167+","","","0.71073","MoKα","","0.1129","0.0689","","","0.151","0.1724","","","","","","1.026","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110580","13.1359","0.0005","18.6998","0.0005","19.8721","0.0005","62.065","0.003","80.408","0.004","80.262","0.004","4229","0.3","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H58 Cl N5 Ru Si -","- C43 H58 Cl N5 Ru Si -","- C172 H232 Cl4 N20 Ru4 Si4 -","4","2","","Hyojong Yoo; Patrick J. Carroll; Donald H. Berry","Synthesis and Structure of Ruthenium-Silylene Complexes: Activation of Si-Cl Bonds in N-Heterocyclic Silanes","Journal of the American Chemical Society","2006","128","","6038","6039","10.1021/ja0580744","","","0.71069","MoKα","","0.0598","0.0449","","","0.0952","0.1051","","","","","","1.091","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110581","9.5051","0.0009","13.2089","0.0012","19.556","0.0019","79.52","0.006","80.581","0.005","89.463","0.005","2381.3","0.4","143","1","143","1","","","","","","","","7","P -1","-P 1","2","","","","- C47 H65 Cl2 N5 O Ru Si -","- C47 H65 Cl2 N5 O Ru Si -","- C94 H130 Cl4 N10 O2 Ru2 Si2 -","2","1","","Hyojong Yoo; Patrick J. Carroll; Donald H. Berry","Synthesis and Structure of Ruthenium-Silylene Complexes: Activation of Si-Cl Bonds in N-Heterocyclic Silanes","Journal of the American Chemical Society","2006","128","","6038","6039","10.1021/ja0580744","","","0.71069","MoKα","","0.064","0.0424","","","0.1007","0.1116","","","","","","1.006","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110582","17.0427","0.0011","12.4563","0.0008","39.721","0.003","90","","90","","90","","8432.3","1","143","1","143","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H57 N7 Ru Si -","- C43 H57 N7 Ru Si -","- C344 H456 N56 Ru8 Si8 -","8","2","","Hyojong Yoo; Patrick J. Carroll; Donald H. Berry","Synthesis and Structure of Ruthenium-Silylene Complexes: Activation of Si-Cl Bonds in N-Heterocyclic Silanes","Journal of the American Chemical Society","2006","128","","6038","6039","10.1021/ja0580744","","","0.71069","MoKα","","0.0921","0.0605","","","0.1498","0.2182","","","","","","1.006","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110583","20.1662","0.0017","15.9814","0.0012","9.3941","0.0008","90","","101.285","0.002","90","","2969","0.4","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Cl2 N3 O Ru -","- C31 H39 Cl2 N3 O Ru -","- C124 H156 Cl8 N12 O4 Ru4 -","4","1","","Hyojong Yoo; Patrick J. Carroll; Donald H. Berry","Synthesis and Structure of Ruthenium-Silylene Complexes: Activation of Si-Cl Bonds in N-Heterocyclic Silanes","Journal of the American Chemical Society","2006","128","","6038","6039","10.1021/ja0580744","","","0.71069","MoKα","","0.055","0.0366","","","0.0728","0.078","","","","","","0.933","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110584","20.0174","0.0017","15.776","0.0014","21.8635","0.0014","90","","119.266","0.006","90","","6023.1","0.9","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C102 H36 La O8 -","- C102 H36 La0.9993 O8 -","- C408 H144 La3.9972 O32 -","4","1","","Lai Feng; Takahiro Tsuchiya; Takatsugu Wakahara; Tsukasa Nakahodo; Qiuyue Piao; Yutaka Maeda; Takeshi Akasaka; Tatsuhisa Kato; Kenji Yoza; Ernst Horn; Naomi Mizorogi; Shigeru Nagase","Synthesis and Characterization of a Bisadduct of La@C82","Journal of the American Chemical Society","2006","128","","5990","5991","10.1021/ja058390i","","","0.71073","MoKα","","0.0963","0.0696","","","0.1822","0.2031","","","","","","1.052","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110585","14.4293","0.0019","14.8382","0.0019","15.87","0.002","90","","110.641","0.002","90","","3179.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 Br P2 Pt -","- C34 H43 Br P2 Pt -","- C136 H172 Br4 P8 Pt4 -","4","1","","Anupam Singh; Paul R. Sharp","Pt and Pd 1,4-Shifts at the Edge of Dibenz[a,c]anthracene","Journal of the American Chemical Society","2006","128","","5998","5999","10.1021/ja060159x","","","0.71073","MoKα","","0.0311","0.0215","","","0.0431","0.0457","","","","","","1.04","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110586","14.4172","0.0009","15.0084","0.0009","15.832","0.001","90","","111.105","0.001","90","","3195.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H42.93 Br1.07 P2 Pd -","- C34 H42.9313 Br1.0687 P2 Pd -","- C136 H171.725 Br4.2748 P8 Pd4 -","4","1","","Anupam Singh; Paul R. Sharp","Pt and Pd 1,4-Shifts at the Edge of Dibenz[a,c]anthracene","Journal of the American Chemical Society","2006","128","","5998","5999","10.1021/ja060159x","","","0.71073","MoKα","","0.0612","0.0401","","","0.0828","0.0896","","","","","","1.022","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110587","11.2515","0.0005","13.8933","0.0007","20.4873","0.001","90","","91.955","0.001","90","","3200.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Br P2 Pt -","- C34 H43 Br P2 Pt -","- C136 H172 Br4 P8 Pt4 -","4","1","","Anupam Singh; Paul R. Sharp","Pt and Pd 1,4-Shifts at the Edge of Dibenz[a,c]anthracene","Journal of the American Chemical Society","2006","128","","5998","5999","10.1021/ja060159x","","","0.71073","MoKα","","0.0559","0.037","","","0.0828","0.0899","","","","","","1.034","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110588","11.784","0.003","13.383","0.003","20.37","0.005","90","","100.265","0.004","90","","3161","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Br P2 Pd -","- C34 H43 Br P2 Pd -","- C136 H172 Br4 P8 Pd4 -","4","1","","Anupam Singh; Paul R. Sharp","Pt and Pd 1,4-Shifts at the Edge of Dibenz[a,c]anthracene","Journal of the American Chemical Society","2006","128","","5998","5999","10.1021/ja060159x","","","0.71073","MoKα","","0.1608","0.0888","","","0.1928","0.2182","","","","","","1.07","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110589","19.5105","0.0006","8.9572","0.0003","18.106","0.0005","90","","91.73","","90","","3162.75","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Br P2 Pt -","- C34 H43 Br P2 Pt -","- C136 H172 Br4 P8 Pt4 -","4","1","","Anupam Singh; Paul R. Sharp","Pt and Pd 1,4-Shifts at the Edge of Dibenz[a,c]anthracene","Journal of the American Chemical Society","2006","128","","5998","5999","10.1021/ja060159x","","","0.71073","MoKα","","0.0284","0.0217","","","0.0502","0.0526","","","","","","1.032","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110590","13.3466","0.0001","17.3989","0.0002","17.8425","0.0001","73.208","0.004","68.263","0.004","88.452","0.003","3669.66","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Compound 1a","","","- C124 H166 B2 F49 P6 Rh6 -","- C124 H166 B2 F49 P6 Rh6 -","- C124 H166 B2 F49 P6 Rh6 -","1","0.5","","Simon K. Brayshaw; Michael J. Ingleson; Jennifer C. Green; J. Scott McIndoe; Paul R. Raithby; Gabriele Kociok-Köhn; Andrew S. Weller","High Hydride Count Rhodium Octahedra, [Rh6(PR3)6H12][BArF4]2: Synthesis, Structures, and Reversible Hydrogen Uptake under Mild Conditions","Journal of the American Chemical Society","2006","128","","6247","6263","10.1021/ja0604663","","","0.71073","MoKα","","0.0398","0.0319","","","0.0739","0.077","","","","","","1.025","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110591","17.672","0.0002","28.028","0.0003","31.078","0.0005","90","","90","","90","","15393.3","0.3","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Compound 2b[CB11Me11H]2","","","- C133 H271 B22 Cl2 P6 Rh6 -","- C133 H271 B22 Cl2 P6 Rh6 -","- C532 H1084 B88 Cl8 P24 Rh24 -","4","1","","Simon K. Brayshaw; Michael J. Ingleson; Jennifer C. Green; J. Scott McIndoe; Paul R. Raithby; Gabriele Kociok-Köhn; Andrew S. Weller","High Hydride Count Rhodium Octahedra, [Rh6(PR3)6H12][BArF4]2: Synthesis, Structures, and Reversible Hydrogen Uptake under Mild Conditions","Journal of the American Chemical Society","2006","128","","6247","6263","10.1021/ja0604663","","","0.71073","MoKα","","0.094","0.0561","","","0.1105","0.1216","","","","","","1.028","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110592","69.5388","0.0004","20.4464","0.0001","27.8999","0.0002","90","","100.821","0.001","90","","38963.2","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Compound 2a","","","- C181.63 H247.25 B2 Cl5.25 F48 P6 Rh6 -","- C181.63 H247.26 B2 Cl5.25 F48 P6 Rh6 -","- C1453.04 H1978.08 B16 Cl42 F384 P48 Rh48 -","8","1","","Simon K. Brayshaw; Michael J. Ingleson; Jennifer C. Green; J. Scott McIndoe; Paul R. Raithby; Gabriele Kociok-Köhn; Andrew S. Weller","High Hydride Count Rhodium Octahedra, [Rh6(PR3)6H12][BArF4]2: Synthesis, Structures, and Reversible Hydrogen Uptake under Mild Conditions","Journal of the American Chemical Society","2006","128","","6247","6263","10.1021/ja0604663","","","0.71073","MoKα","","0.105","0.0509","","","0.1188","0.1452","","","","","","1.022","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110593","16.893","0.0002","16.862","0.0002","20.147","0.0002","90","","109.923","0.001","90","","5395.41","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 5","","","- C50 H47 B F25 P2 Rh -","- C50 H46.5 B F25 P2 Rh -","- C200 H186 B4 F100 P8 Rh4 -","4","1","","Simon K. Brayshaw; Michael J. Ingleson; Jennifer C. Green; J. Scott McIndoe; Paul R. Raithby; Gabriele Kociok-Köhn; Andrew S. Weller","High Hydride Count Rhodium Octahedra, [Rh6(PR3)6H12][BArF4]2: Synthesis, Structures, and Reversible Hydrogen Uptake under Mild Conditions","Journal of the American Chemical Society","2006","128","","6247","6263","10.1021/ja0604663","","","0.71073","MoKα","","0.0549","0.0348","","","0.081","0.0904","","","","","","1.024","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110594","9.04","0.0004","10.49","0.0005","13.924","0.0008","90","","90","","90","","1320.41","0.11","298","","","","","","","","","","Local laboratory","6","C m c m","-C 2c 2","63","","","","- C6 H2 Cl4 In N2 S4 -","- C8 H2.66667 Cl5.33333 In1.33333 N2.66667 S5.33333 -","- C24 H8 Cl16 In4 N8 S16 -","3","0.1875","","Wataru Fujita; Kunio Awaga; Ryusuke Kondo; Seiichi Kagoshima","A One-Dimensional Coordination Polymer, BBDTA.InCl4: Possible Spin-Peierls Transition with High Critical Temperature of 108 K","Journal of the American Chemical Society","2006","128","","6016","6017","10.1021/ja060979+","","","0.71073","MoKα","","0.0433","0.0431","","","0.1172","0.1174","","","","","","1.191","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110595","19.2729","0.0008","12.072","0.0005","14.6636","0.0006","90","","111.057","0.001","90","","3183.8","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H23 O0.5 Si Ti0.5 -","- C17.5 H23 O0.5 Si Ti0.5 -","- C140 H184 O4 Si8 Ti4 -","8","1","","Tamara E. Hanna; Emil Lobkovsky; Paul J. Chirik","Mono(dinitrogen) and Carbon Monoxide Adducts of Bis(cyclopentadienyl) Titanium Sandwiches","Journal of the American Chemical Society","2006","128","","6018","6019","10.1021/ja061213c","","","0.71073","MoKα","","0.0554","0.0351","","","0.0933","0.0999","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110596","19.2468","0.0006","12.0669","0.0004","14.6246","0.0005","90","","110.937","0.001","90","","3172.29","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 N Si Ti0.5 -","- C17 H23 N Si Ti0.5 -","- C136 H184 N8 Si8 Ti4 -","8","1","","Tamara E. Hanna; Emil Lobkovsky; Paul J. Chirik","Mono(dinitrogen) and Carbon Monoxide Adducts of Bis(cyclopentadienyl) Titanium Sandwiches","Journal of the American Chemical Society","2006","128","","6018","6019","10.1021/ja061213c","","","0.71073","MoKα","","0.0422","0.0304","","","0.084","0.0891","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110597","17.083","0.0005","8.4015","0.0003","19.0165","0.0008","90","","98.493","0.002","90","","2699.37","0.17","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H21 O Si Ti0.5 -","- C13 H21 O Si Ti0.5 -","- C104 H168 O8 Si8 Ti4 -","8","1","","Tamara E. Hanna; Emil Lobkovsky; Paul J. Chirik","Mono(dinitrogen) and Carbon Monoxide Adducts of Bis(cyclopentadienyl) Titanium Sandwiches","Journal of the American Chemical Society","2006","128","","6018","6019","10.1021/ja061213c","","","0.71073","MoKα","","0.0628","0.0345","","","0.0901","0.1027","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110598","8.0187","0.0005","23.4465","0.0014","12.3357","0.0007","90","","94.079","0.001","90","","2313.4","0.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N4 O4 S2 -","- C22 H24 N4 O4 S2 -","- C88 H96 N16 O16 S8 -","4","2","","Tsuneomi Kawasaki; Hiroyuki Tanaka; Takashi Tsutsumi; Toshinari Kasahara; Itaru Sato; Kenso Soai","Chiral Discrimination of Cryptochiral Saturated Quaternary and Tertiary Hydrocarbons by Asymmetric Autocatalysis","Journal of the American Chemical Society","2006","128","","6032","6033","10.1021/ja061429e","","","0.71073","MoKα","","0.0814","0.0511","","","0.1129","0.1262","","","","","","0.923","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110599","7.9066","0.0002","9.376","0.0002","13.4358","0.0003","105.214","0.0016","98.189","0.0017","101.572","0.0017","921.32","0.04","160","1","160","1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H14 Br2 -","- C26 H14 Br2 -","- C52 H28 Br4 -","2","1","","Yao-Ting Wu; Tomoharu Hayama; Kim K. Baldridge; Anthony Linden; Jay S. Siegel","Synthesis of Fluoranthenes and Indenocorannulenes: Elucidation of Chiral Stereoisomers on the Basis of Static Molecular Bowls","Journal of the American Chemical Society","2006","128","","6870","6884","10.1021/ja058391a","","","0.71073","MoKα","","0.0368","0.0288","","","0.0701","0.0739","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110600","17.2204","0.0004","14.7197","0.0003","28.2615","0.0007","90","","95.9558","0.0009","90","","7125","0.3","160","1","160","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46.5 H29 Cl O8 -","- C46 H28 O8 -","- C368 H224 O64 -","8","2","","Yao-Ting Wu; Tomoharu Hayama; Kim K. Baldridge; Anthony Linden; Jay S. Siegel","Synthesis of Fluoranthenes and Indenocorannulenes: Elucidation of Chiral Stereoisomers on the Basis of Static Molecular Bowls","Journal of the American Chemical Society","2006","128","","6870","6884","10.1021/ja058391a","","","0.71073","MoKα","","0.1538","0.0689","","","0.163","0.1904","","","","","","0.996","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110601","8.8552","0.0009","9.4886","0.0002","21.266","0.002","90","0.01","90","0.008","90","0.01","1786.8","0.3","293","2","293","2","","","101.325","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","2-Phenylpropionic acid biphenyl amide","(R)-1-(5,7-Dihydro-dibenzo[c,e]azepin-6-yl)-2-phenyl-propan-1-one","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","1","","Stefano Superchi; Roberto Bisaccia; Daniele Casarini; Alessandro Laurita; Carlo Rosini","Flexible Biphenyl Chromophore as a Circular Dichroism Probe for Assignment of the Absolute Configuration of Carboxylic Acids","Journal of the American Chemical Society","2006","128","","6893","6902","10.1021/ja058552a","","x-ray","1.54184","CuKα","","0.0627","0.0377","","","0.0892","0.1023","","","","","","1.085","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110602","6.801","0.0014","25.729","0.005","11.498","0.002","90","","90","","90","","2012","0.7","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H14 F6 O6 -","- C20 H14 F6 O6 -","- C80 H56 F24 O24 -","4","0.5","","Bryan K. Spraul; S. Suresh; Jianyong Jin; Dennis W. Smith","Synthesis and Electronic Factors in Thermal Cyclodimerization of Functionalized Aromatic Trifluorovinyl Ethers","Journal of the American Chemical Society","2006","128","","7055","7064","10.1021/ja0600227","","","0.71073","MoKα","","0.0902","0.0855","","","0.2147","0.2189","","","","","","1.175","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110603","6.111","0.0012","12.614","0.003","12.62","0.003","93.54","0.03","97.26","0.03","95.7","0.03","957.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 F6 O6 -","- C20 H14 F6 O6 -","- C40 H28 F12 O12 -","2","1","","Bryan K. Spraul; S. Suresh; Jianyong Jin; Dennis W. Smith","Synthesis and Electronic Factors in Thermal Cyclodimerization of Functionalized Aromatic Trifluorovinyl Ethers","Journal of the American Chemical Society","2006","128","","7055","7064","10.1021/ja0600227","","","0.71073","MoKα","","0.1925","0.1371","","","0.2879","0.3117","","","","","","1.529","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110604","14.286","0.007","7.151","0.003","18.1","0.009","90","0.002","105.577","0.003","90","0.002","1781.2","1.5","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C84 H112 O12 -","4","1","","Shunsuke Chiba; Mitsuru Kitamura; Koichi Narasaka","Synthesis of (-)-Sordarin","Journal of the American Chemical Society","2006","128","","6931","6937","10.1021/ja060408h","","","0.7107","MoKYa","","0.0481","0.043","","","0.105","0.1088","","","","","","1.057","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110605","16.299","0.006","7.285","0.002","16.445","0.006","90","","90","","90","","1952.6","1.1","253.2","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H22 S -","- C26 H22 S -","- C104 H88 S4 -","4","0.5","","Soichi Sato; Kaoru Matsunaga; Ernst Horn; Naomichi Furukawa; Tatsuya Nabeshima","Isolation and Molecular Structure of the Organo-persulfuranes [12-S-6(C6)]","Journal of the American Chemical Society","2006","128","","6778","6779","10.1021/ja060497y","","","0.7107","MoKα","","","0.0386","","","","0.0361","","","","","","2.405","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110606","10.0742","0.0004","15.5556","0.0006","19.061","0.002","99.366","0.003","90.46","0.005","96.393","0.003","2927.9","0.3","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H49 Ni O P -","- C31 H49 Ni O P -","- C124 H196 Ni4 O4 P4 -","4","2","","Sensuke Ogoshi; Kei-ichi Tonomori; Masa-aki Oka; Hideo Kurosawa","Reversible Carbon-Carbon Bond Formation between 1,3-Dienes and Aldehyde or Ketone on Nickel(0)","Journal of the American Chemical Society","2006","128","","7077","7086","10.1021/ja060580l","","","0.7107","MoKα","","","0.089","","","","0.111","","","","","","5.397","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110607","10.295","0.002","11.7206","0.0003","11.9586","0.0009","76.284","0.008","82.68","0.01","75.383","0.008","1352.9","0.3","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H45 Ni O P -","- C29 H44.5 Ni O P -","- C58 H89 Ni2 O2 P2 -","2","1","","Sensuke Ogoshi; Kei-ichi Tonomori; Masa-aki Oka; Hideo Kurosawa","Reversible Carbon-Carbon Bond Formation between 1,3-Dienes and Aldehyde or Ketone on Nickel(0)","Journal of the American Chemical Society","2006","128","","7077","7086","10.1021/ja060580l","","","0.7107","MoKα","","","0.096","","","","0.101","","","","","","7.532","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110608","17.232","0.0005","9.8036","0.0002","17.3024","0.0005","90","","70.274","0.0005","90","","2751.46","0.13","273.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 Ni O P -","- C27 H49 Ni O P -","- C108 H196 Ni4 O4 P4 -","4","1","","Sensuke Ogoshi; Kei-ichi Tonomori; Masa-aki Oka; Hideo Kurosawa","Reversible Carbon-Carbon Bond Formation between 1,3-Dienes and Aldehyde or Ketone on Nickel(0)","Journal of the American Chemical Society","2006","128","","7077","7086","10.1021/ja060580l","","","0.7107","MoKα","","","0.089","","","","0.097","","","","","","5.905","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110609","9.4073","0.0004","20.838","0.001","21.163","0.001","90","","98.066","0.002","90","","4107.5","0.3","153.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H61 Ni O P -","- C49 H61 Ni O P -","- C196 H244 Ni4 O4 P4 -","4","1","","Sensuke Ogoshi; Kei-ichi Tonomori; Masa-aki Oka; Hideo Kurosawa","Reversible Carbon-Carbon Bond Formation between 1,3-Dienes and Aldehyde or Ketone on Nickel(0)","Journal of the American Chemical Society","2006","128","","7077","7086","10.1021/ja060580l","","","0.7107","MoKα","","","0.052","","","","0.062","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110610","9.354","0.0009","10.155","0.001","15.498","0.001","81.276","0.002","87.303","0.003","70.878","0.002","1374.8","0.2","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H49 Ni O P -","- C28 H49 Ni O P -","- C56 H98 Ni2 O2 P2 -","2","1","","Sensuke Ogoshi; Kei-ichi Tonomori; Masa-aki Oka; Hideo Kurosawa","Reversible Carbon-Carbon Bond Formation between 1,3-Dienes and Aldehyde or Ketone on Nickel(0)","Journal of the American Chemical Society","2006","128","","7077","7086","10.1021/ja060580l","","","0.7107","MoKα","","","0.061","","","","0.076","","","","","","4.443","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110611","26.9948","0.0016","26.9948","0.0016","12.7245","0.0011","90","","90","","90","","9272.6","1.1","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H40 Br16 Cl8 Mn12 O48 -","- C36 H24 Br16.02 Cl8.376 Mn12 O48 -","- C144 H96 Br64.08 Cl33.504 Mn48 O192 -","4","0.25","","Nicole E. Chakov; Sheng-Chiang Lee; Andrew G. Harter; Philip L. Kuhns; Arneil P. Reyes; Stephen O. Hill; N. S. Dalal; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","The Properties of the [Mn12O12(O2CR)16(H2O)4] Single-Molecule Magnets in Truly Axial Symmetry: [Mn12O12(O2CCH2Br)16(H2O)4].4CH2Cl2","Journal of the American Chemical Society","2006","128","","6975","6989","10.1021/ja060796n","","","0.71073","MoKα","","0.0805","0.0568","","","0.1543","0.1648","","","","","","1.075","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110612","9.94","0.006","12.243","0.008","17.692","0.011","103.468","0.008","90.715","0.007","102.807","0.008","2037","2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Methyldiphenylsilane","Methyldiphenyl[2-(phenylazo)phenyl]silane","","- C25 H22 N2 Si -","- C25 H22 N2 Si -","- C100 H88 N8 Si4 -","4","2","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0393","0.0347","","","0.0913","0.0978","","","","","","1.053","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110613","10.465","0.0014","10.7808","0.0017","11.1487","0.0011","91.788","0.002","114.662","0.003","117.112","0.003","978.6","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Diphenylsilane","Diphenyl[2-(phenylazo)phenyl]silane","","- C24 H20 N2 Si -","- C24 H20 N2 Si -","- C48 H40 N4 Si2 -","2","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.033","0.0304","","","0.0751","0.0766","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110614","8.235","0.002","8.5166","0.001","9.231","0.001","78.244","0.007","70.599","0.006","85.024","0.003","597.71","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Trifluorosilane","Trifluoro[2-(phenylazo)phenyl]silane","","- C12 H9 F3 N2 Si -","- C12 H9 F3 N2 Si -","- C24 H18 F6 N4 Si2 -","2","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0448","0.0355","","","0.098","0.1034","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110615","8.656","0.007","9.738","0.009","13.17","0.011","101.156","0.008","99.258","0.008","113.12","0.009","966.5","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Fluorodiphenylsilane","Fluorodiphenyl[2-(phenylazo)phenyl]silane","","- C24 H19 F N2 Si -","- C24 H19 F N2 Si -","- C48 H38 F2 N4 Si2 -","2","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0465","0.0367","","","0.0893","0.0962","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110616","8.502","0.006","9.12","0.007","11.061","0.008","105.729","0.008","107.023","0.008","93.714","0.007","779.6","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Difluorophenylsilane","Fluorodiphenyl[2-(phenylazo)phenyl]silane","","- C18 H14 F2 N2 Si -","- C18 H14 F2 N2 Si -","- C36 H28 F4 N4 Si2 -","2","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0394","0.0312","","","0.079","0.0838","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110617","9.314","0.003","16.258","0.006","18.099","0.007","90","","90","","90","","2740.7","1.7","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Tetrafluorosilicate","Potassium, 18-crown-6, Tetrafluoro[2-(phenylazo)phenyl]silicate","","- C24 H33 F4 K N2 O6 Si -","- C24 H33 F4 K N2 O6 Si -","- C96 H132 F16 K4 N8 O24 Si4 -","4","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0222","0.0216","","","0.0551","0.0557","","","","","","1.077","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110618","12.344","0.003","9.256","0.002","20.452","0.005","90","","105.213","0.0013","90","","2254.9","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dimethylsilane","Dimethylbis[2-(phenylazo)phenyl]silane","","- C26 H24 N4 Si -","- C26 H24 N4 Si -","- C104 H96 N16 Si4 -","4","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0374","0.034","","","0.0934","0.0962","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110619","13.309","0.004","9.647","0.003","15.468","0.005","90","","101.578","0.0016","90","","1945.6","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fluorodiphenylsilane","Fluorodiphenyl[2-(phenylazo)phenyl]silane","","- C24 H19 F N2 Si -","- C24 H19 F N2 Si -","- C96 H76 F4 N8 Si4 -","4","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0411","0.0368","","","0.093","0.0964","","","","","","1.054","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110620","13.4452","0.0017","14.836","0.002","15.75","0.002","74.096","0.006","69.804","0.003","79.731","0.002","2823.5","0.6","103","2","103","2","","","","","","","","7","P -1","-P 1","2","Tetrafluorosilicate","Potassium, 18-crown-6, Tetrafluoro[2-(phenylazo)phenyl]silicate","","- C24 H33 F4 K N2 O6 Si -","- C24 H33 F4 K N2 O6 Si -","- C96 H132 F16 K4 N8 O24 Si4 -","4","2","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.1115","0.0678","","","0.1551","0.1803","","","","","","1.04","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110621","15.6989","0.0011","13.553","0.0012","11.3397","0.001","90","","108.767","0.007","90","","2284.4","0.3","","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Cl4 Cu2 N6 O20 -","- C32 H48 Cl4 Cu2 N6 O20 -","- C64 H96 Cl8 Cu4 N12 O40 -","2","0.5","","Sunita Thyagarajan; Narasimha N. Murthy; Amy A. Narducci Sarjeant; Kenneth D. Karlin; Steve E. Rokita","Selective DNA Strand Scission with Binuclear Copper Complexes: Implications for an Active Cu2-O2 Species","Journal of the American Chemical Society","2006","128","","7003","7008","10.1021/ja061014t","","","0.71073","MoKα","","0.076","0.0642","","","0.1709","0.1783","","","","","","1.089","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110622","10.7555","0.0015","11.6912","0.0016","32.48","0.002","90","","90","","90","","4084.2","0.8","","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H45 Cu2 N11 O12 -","- C35 H45 Cu2 N11 O12 -","- C140 H180 Cu8 N44 O48 -","4","1","","Sunita Thyagarajan; Narasimha N. Murthy; Amy A. Narducci Sarjeant; Kenneth D. Karlin; Steve E. Rokita","Selective DNA Strand Scission with Binuclear Copper Complexes: Implications for an Active Cu2-O2 Species","Journal of the American Chemical Society","2006","128","","7003","7008","10.1021/ja061014t","","","0.71073","MoKα","","0.0934","0.0666","","","0.176","0.1965","","","","","","0.985","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110623","14.88","0.006","6.954","0.003","18.075","0.007","90","","93.056","0.005","90","","1867.7","1.3","151.2","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C20 H21 Cl O5 -","- C20 H21 Cl O5 -","- C80 H84 Cl4 O20 -","4","1","","Brian G. Pujanauski; B. A. Bhanu Prasad; Richmond Sarpong","Pt-Catalyzed Tandem Epoxide Fragmentation/Pentannulation of Propargylic Esters","Journal of the American Chemical Society","2006","128","","6786","6787","10.1021/ja061549m","","","0.7107","MoKα","","0.0718","0.0441","","0.0802","","0.0664","","","","","","1.418","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110624","29.472","0.006","10.8424","0.0015","23.537","0.004","90","","109.844","0.004","90","","7075","2","128","2","128","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 N2 P2 Ti -","- C36 H54 N2 P2 Ti -","- C288 H432 N16 P16 Ti8 -","8","1","","Brad C. Bailey; Hongjun Fan; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Room Temperature Ring-Opening Metathesis of Pyridines by a Transient Ti\τbC Linkage","Journal of the American Chemical Society","2006","128","","6798","6799","10.1021/ja061590p","","","0.71073","MoKα","","0.1122","0.0488","","","0.0729","0.0846","","","","","","0.69","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110625","10.79","0.002","12.717","0.003","16.2","0.004","95.296","0.006","90.479","0.006","111.567","0.005","2056.3","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H68 N2 P2 Ti -","- C42 H68 N2 P2 Ti -","- C84 H136 N4 P4 Ti2 -","2","1","","Brad C. Bailey; Hongjun Fan; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Room Temperature Ring-Opening Metathesis of Pyridines by a Transient Ti\τbC Linkage","Journal of the American Chemical Society","2006","128","","6798","6799","10.1021/ja061590p","","","0.71073","MoKα","","0.0622","0.043","","","0.1145","0.1236","","","","","","0.995","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110626","8.2172","0.0002","12.7309","0.0003","17.5015","0.0005","90","","91.193","0.002","90","","1830.48","0.08","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TMS-Si3-Si3-TMS","11,11-dimethyl-1-(11',11'-dimethyl-6'- trimethylsilyl-1',6',11'-trisilabicyclo[4.4.1]undec- 1'-yl)-6-trimethylsilyl-1,6,11- trisilabicyclo[4.4.1]undecane","","- C26 H62 Si8 -","- C26 H62 Si8 -","- C52 H124 Si16 -","2","0.5","","Aiko Fukazawa; Hayato Tsuji; Kohei Tamao","all-anti-Octasilane: Conformation Control of Silicon Chains Using the Bicyclic Trisilane as a Building Block","Journal of the American Chemical Society","2006","128","","6800","6801","10.1021/ja0616231","","","0.71069","MoKα","","0.0448","0.0423","","","0.0997","0.1014","","","","","","1.089","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110627","14.9612","0.001","14.2852","0.001","16.87","0.0011","90","","98.329","0.002","90","","3567.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cl4 Cu2 N14 O3 P2 -","- C25 H30 Cl4 Cu2 N14 O3 P2 -","- C100 H120 Cl16 Cu8 N56 O12 P8 -","4","1","","Vadapalli Chandrasekhar; Ramachandran Azhakar; Venkatasubbaiah Krishnan; Arunachalampillai Athimoolam; Balasubramanian Murugesa Pandian","Cyclocarbophosphazene-Containing Tetrameric Assemblies Formed by the Mediation of P-O-P and P-O-Cu Linkages","Journal of the American Chemical Society","2006","128","","6802","6803","10.1021/ja061635m","","","0.71069","MoKα","","0.1233","0.0694","","","0.1485","0.1707","","","","","","1.025","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110628","19.93","0.003","19.93","0.003","14.509","0.004","90","","90","","90","","5763","2","100","2","100","2","","","","","","","","7","P 42/m","-P 4c","84","","","","- C14.5 H17.5 Br Cu N8 O1.5 P -","- C14.5 H18 Br Cu N8 O1.5 P -","- C116 H144 Br8 Cu8 N64 O12 P8 -","8","1","","Vadapalli Chandrasekhar; Ramachandran Azhakar; Venkatasubbaiah Krishnan; Arunachalampillai Athimoolam; Balasubramanian Murugesa Pandian","Cyclocarbophosphazene-Containing Tetrameric Assemblies Formed by the Mediation of P-O-P and P-O-Cu Linkages","Journal of the American Chemical Society","2006","128","","6802","6803","10.1021/ja061635m","","","0.71069","MoKα","","0.107","0.0583","","","0.1482","0.1623","","","","","","0.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110629","35.218","0.011","14.702","0.005","37.941","0.011","90","","114.365","0.005","90","","17895","10","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C91 H102 B Cl6 N6 Yb2 -","- C89.25 H96 B Cl2.5 N6 Yb2 -","- C714 H768 B8 Cl20 N48 Yb16 -","8","1","","Christin N. Carlson; Christopher J. Kuehl; Ryan E. Da Re; Jacqueline M. Veauthier; Eric J. Schelter; Ashley E. Milligan; Brian L. Scott; Eric D. Bauer; J. D. Thompson; David E. Morris; Kevin D. John","Ytterbocene Charge-Transfer Molecular Wire Complexes","Journal of the American Chemical Society","2006","128","","7230","7241","10.1021/ja058667e","","","0.71073","MoKα","","0.0913","0.0792","","","0.1808","0.1836","","","","","","2.507","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110630","19.553","0.005","11.027","0.003","16.878","0.004","90","","91.985","0.005","90","","3636.9","1.6","141","1","141","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C102 H120 N6 Yb2 -","- C74 H88 N6 Yb2 -","- C148 H176 N12 Yb4 -","2","0.5","","Christin N. Carlson; Christopher J. Kuehl; Ryan E. Da Re; Jacqueline M. Veauthier; Eric J. Schelter; Ashley E. Milligan; Brian L. Scott; Eric D. Bauer; J. D. Thompson; David E. Morris; Kevin D. John","Ytterbocene Charge-Transfer Molecular Wire Complexes","Journal of the American Chemical Society","2006","128","","7230","7241","10.1021/ja058667e","","","0.71073","MoKα","","0.0584","0.039","","","0.0871","0.0909","","","","","","0.941","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110631","11.36","0.003","15.544","0.003","19.137","0.004","90","","93.107","0.004","90","","3374.2","1.3","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H41 F3 N3 O3 S Yb -","- C36 H41 F3 N3 O3 S Yb -","- C144 H164 F12 N12 O12 S4 Yb4 -","4","2","","Christin N. Carlson; Christopher J. Kuehl; Ryan E. Da Re; Jacqueline M. Veauthier; Eric J. Schelter; Ashley E. Milligan; Brian L. Scott; Eric D. Bauer; J. D. Thompson; David E. Morris; Kevin D. John","Ytterbocene Charge-Transfer Molecular Wire Complexes","Journal of the American Chemical Society","2006","128","","7230","7241","10.1021/ja058667e","","","0.71073","MoKα","","0.0744","0.0648","","","0.1214","0.1256","","","","","","1.148","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110632","22.515","0.006","11.347","0.003","12.84","0.003","90","","106.377","0.005","90","","3147.2","1.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br O3 -","- C18 H18 Br O3 -","- C144 H144 Br8 O24 -","8","2","","Stephanie M. Ng; Scott J. Bader; Marc L. Snapper","Solvent-Controlled Intramolecular [2 + 2] Photocycloadditions of α-Substituted Enones","Journal of the American Chemical Society","2006","128","","7315","7319","10.1021/ja060968g","","x-ray","0.71073","MoKα","","0.0927","0.0683","","","0.1623","0.1725","","","","","","1.139","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110633","7.403","0.002","14.05","0.004","8.221","0.002","90","","97.826","0.004","90","","847.1","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C38 H38 Br2 O6 -","2","1","","Stephanie M. Ng; Scott J. Bader; Marc L. Snapper","Solvent-Controlled Intramolecular [2 + 2] Photocycloadditions of α-Substituted Enones","Journal of the American Chemical Society","2006","128","","7315","7319","10.1021/ja060968g","","","0.71073","MoKα","","0.0255","0.0243","","","0.0665","0.0672","","","","","","0.72","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110634","6.6324","0.0005","7.3864","0.0009","16.3004","0.0014","80.465","0.002","80.05","0.002","74.974","0.002","753.49","0.13","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C34 H34 Br2 O6 -","2","1","","Stephanie M. Ng; Scott J. Bader; Marc L. Snapper","Solvent-Controlled Intramolecular [2 + 2] Photocycloadditions of α-Substituted Enones","Journal of the American Chemical Society","2006","128","","7315","7319","10.1021/ja060968g","","x-ray","0.71073","MoKα","","0.0438","0.0389","","","0.1051","0.1082","","","","","","1.052","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110635","7.6996","0.0013","14.279","0.003","15.933","0.003","88","0.003","77.06","0.002","76.47","0.003","1659.6","0.5","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","4","","Stephanie M. Ng; Scott J. Bader; Marc L. Snapper","Solvent-Controlled Intramolecular [2 + 2] Photocycloadditions of α-Substituted Enones","Journal of the American Chemical Society","2006","128","","7315","7319","10.1021/ja060968g","","x-ray","0.71073","MoKα","","0.05","0.0394","","","0.0873","0.0912","","","","","","0.964","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110636","9.606","0.003","8.357","0.002","12.604","0.004","90","","97.84","0.005","90","","1002.4","0.5","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Stephanie M. Ng; Scott J. Bader; Marc L. Snapper","Solvent-Controlled Intramolecular [2 + 2] Photocycloadditions of α-Substituted Enones","Journal of the American Chemical Society","2006","128","","7315","7319","10.1021/ja060968g","","x-ray","0.71073","MoKα","","0.0562","0.0472","","","0.1193","0.1245","","","","","","1.018","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110637","12.9427","0.0018","19.328","0.003","16.081","0.002","90","","100.639","0.002","90","","3953.6","1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 I2 K N7 O2 U -","- C35 H35 I2 K N7 O2 U -","- C140 H140 I8 K4 N28 O8 U4 -","4","1","","Louise Natrajan; Fabien Burdet; Jacques Pécaut; Marinella Mazzanti","Synthesis and Structure of a Stable Pentavalent-Uranyl Coordination Polymer","Journal of the American Chemical Society","2006","128","","7152","7153","10.1021/ja0609809","","","0.71073","MoKα","","0.0166","0.014","","","0.0343","0.0354","","","","","","1.033","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110638","8.3297","0.0002","13.933","0.004","21.481","0.003","90","","90","","90","","2493","0.8","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N2 O5 S2 -","- C22 H36 N2 O5 S2 -","- C88 H144 N8 O20 S8 -","4","1","","Shashi Kant Tiwari; Hans-Joachim Gais; Andreas Lindenmaier; Gadamsetti Surendra Babu; Gerhard Raabe; Leleti Rajender Reddy; Franz Köhler; Markus Günter; Stefan Koep; Vijaya Bhaskara Reddy Iska","Functionalized Chiral Vinyl Aminosulfoxonium Salts: Asymmetric Synthesis and Application to the Synthesis of Enantiopure Unsaturated Prolines, β,γ-Dehydro Amino Acids, and Cyclopentanoid Keto Aminosulfoxonium Ylides","Journal of the American Chemical Society","2006","128","","7360","7373","10.1021/ja061152i","","","1.54179","CuKα","","0.049","0.045","","0.059","","0.058","","","2.92","","","2.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110639","9.965","0.001","10.64","0.005","15.538","0.003","90","","90","","90","","1647.5","0.9","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O4 S -","- C14 H25 N O4 S -","- C56 H100 N4 O16 S4 -","4","1","","Shashi Kant Tiwari; Hans-Joachim Gais; Andreas Lindenmaier; Gadamsetti Surendra Babu; Gerhard Raabe; Leleti Rajender Reddy; Franz Köhler; Markus Günter; Stefan Koep; Vijaya Bhaskara Reddy Iska","Functionalized Chiral Vinyl Aminosulfoxonium Salts: Asymmetric Synthesis and Application to the Synthesis of Enantiopure Unsaturated Prolines, β,γ-Dehydro Amino Acids, and Cyclopentanoid Keto Aminosulfoxonium Ylides","Journal of the American Chemical Society","2006","128","","7360","7373","10.1021/ja061152i","","","1.54179","CuKα","","0.082","0.074","","0.093","","0.092","","","2.334","","","2.42","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110640","10.1605","0.0006","15.1025","0.0007","15.6023","0.0007","90","","90","","90","","2394.2","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 N2 O4 S2 -","- C23 H34 N2 O4 S2 -","- C92 H136 N8 O16 S8 -","4","1","","Shashi Kant Tiwari; Hans-Joachim Gais; Andreas Lindenmaier; Gadamsetti Surendra Babu; Gerhard Raabe; Leleti Rajender Reddy; Franz Köhler; Markus Günter; Stefan Koep; Vijaya Bhaskara Reddy Iska","Functionalized Chiral Vinyl Aminosulfoxonium Salts: Asymmetric Synthesis and Application to the Synthesis of Enantiopure Unsaturated Prolines, β,γ-Dehydro Amino Acids, and Cyclopentanoid Keto Aminosulfoxonium Ylides","Journal of the American Chemical Society","2006","128","","7360","7373","10.1021/ja061152i","","","1.54179","CuKα","","0.035","0.035","","0.044","","0.044","","","2.52","","","2.529","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110641","17.653","0.0008","17.704","0.0009","23.816","0.0007","90","","110.625","0.002","90","","6966.1","0.5","153","2","153","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","Fe2C60Me5Ph5Cp2_C5v","","- C111 H55 Cl Fe2 -","- C111 H55 Cl Fe2 -","- C444 H220 Cl4 Fe8 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Eiichi Nakamura","Synthesis and Electrochemistry of Double-Decker Buckyferrocenes","Journal of the American Chemical Society","2006","128","","7154","7155","10.1021/ja061175x","","x-ray","0.71073","MoKα","","0.1109","0.0831","","","0.221","0.2628","","","","","","1.031","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110642","9.99","0.0004","16.299","0.0005","15.211","0.0005","90","","100.238","0.002","90","","2437.33","0.15","173","2","173","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","Fe2C60Me10Cp2_D5d","","- C40 H20 Fe -","- C40 H20 Fe -","- C160 H80 Fe4 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Eiichi Nakamura","Synthesis and Electrochemistry of Double-Decker Buckyferrocenes","Journal of the American Chemical Society","2006","128","","7154","7155","10.1021/ja061175x","","x-ray","0.71073","MoKα","","0.0755","0.0708","","","0.197","0.2051","","","","","","1.108","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110643","38.141","0.008","18.996","0.005","29.201","0.006","90","","115.157","0.011","90","","19150","8","153","2","153","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","Fe2C60Me5Ph5Cp2_C5v_SbCl6__PhCN","","- C112 H55 Cl6 Fe2 N Sb -","- C112 H55 Cl6 Fe2 N Sb -","- C896 H440 Cl48 Fe16 N8 Sb8 -","8","1","","Yutaka Matsuo; Kazukuni Tahara; Eiichi Nakamura","Synthesis and Electrochemistry of Double-Decker Buckyferrocenes","Journal of the American Chemical Society","2006","128","","7154","7155","10.1021/ja061175x","","x-ray","0.71073","MoKα","","0.2234","0.1558","","","0.3893","0.4413","","","","","","1.416","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110644","33.486","0.003","16.828","0.0016","16.453","0.0007","90","","90","","90","","9271.3","1.3","143","2","143","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","Fe2C60Me10Cp2_D5d_SbCl6_2__PhCN_5","","- C57.5 H32 Cl6 Fe N2.5 Sb -","- C57.5 H32 Cl6 Fe N2.5 Sb -","- C460 H256 Cl48 Fe8 N20 Sb8 -","8","1","","Yutaka Matsuo; Kazukuni Tahara; Eiichi Nakamura","Synthesis and Electrochemistry of Double-Decker Buckyferrocenes","Journal of the American Chemical Society","2006","128","","7154","7155","10.1021/ja061175x","","x-ray","0.71073","MoKα","","0.1035","0.0838","","","0.2245","0.2508","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110645","7.4078","0.001","26.474","0.004","9.4959","0.0013","90","","98.783","0.002","90","","1840.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","1","","Guosheng Liu; Shannon S. Stahl","Highly Regioselective Pd-Catalyzed Intermolecular Aminoacetoxylation of Alkenes and Evidence forcis-Aminopalladation and SN2 C-O Bond Formation","Journal of the American Chemical Society","2006","128","","7179","7181","10.1021/ja061706h","","","0.71073","Mo-Kα","","0.074","0.0674","","","0.1619","0.1656","","","","","","1.167","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110646","7.86","0.005","10.751","0.006","12.413","0.008","102.589","0.009","103.863","0.009","105.376","0.008","936.5","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Br N O5 -","- C20 H18 Br N O5 -","- C40 H36 Br2 N2 O10 -","2","1","","Guosheng Liu; Shannon S. Stahl","Highly Regioselective Pd-Catalyzed Intermolecular Aminoacetoxylation of Alkenes and Evidence forcis-Aminopalladation and SN2 C-O Bond Formation","Journal of the American Chemical Society","2006","128","","7179","7181","10.1021/ja061706h","","","0.71073","Mo-Kα","","0.0367","0.0308","","","0.0831","0.0877","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110647","12.522","0.004","27.459","0.009","25.613","0.008","90","","100.535","0.006","90","","8658","5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H87 B2 Cl4 Cu3 Fe2 N27 O18 -","- C51 H87 B2 Cl4 Cu3 Fe2 N27 O18 -","- C204 H348 B8 Cl16 Cu12 Fe8 N108 O72 -","4","1","","Cai-Feng Wang; Jing-Lin Zuo; Bart M. Bartlett; You Song; Jeffrey R. Long; Xiao-Zeng You","Symmetry-Based Magnetic Anisotropy in the Trigonal Bipyramidal Cluster [Tp2(Me3tacn)3Cu3Fe2(CN)6]4+","Journal of the American Chemical Society","2006","128","","7162","7163","10.1021/ja061788+","","","0.71073","MoKα","","0.0846","0.0531","","","0.1025","0.1086","","","","","","0.956","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110648","9.456","0.001","9.237","0.001","27.947","0.002","90","","92.97","0.01","90","","2437.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N5 O3 -","- C27 H27 N5 O3 -","- C108 H108 N20 O12 -","4","1","","Z. Jane Li; Yuriy Abramov; Jon Bordner; Jason Leonard; Ales Medek; Andrew V. Trask","Solid-State Acid-Base Interactions in Complexes of Heterocyclic Bases with Dicarboxylic Acids: Crystallography, Hydrogen Bond Analysis, and 15N NMR Spectroscopy","Journal of the American Chemical Society","2006","128","","8199","8210","10.1021/ja0541332","","","1.54178","CuKα","","0.1471","0.0665","","","0.1462","0.1924","","","","","","0.962","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110649","29.1414","0.0011","5.1132","0.0002","44.2072","0.0017","90","","103.652","0.001","90","","6401","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 N5 O9 -","- C33 H36 N5 O9 -","- C264 H288 N40 O72 -","8","1","","Z. Jane Li; Yuriy Abramov; Jon Bordner; Jason Leonard; Ales Medek; Andrew V. Trask","Solid-State Acid-Base Interactions in Complexes of Heterocyclic Bases with Dicarboxylic Acids: Crystallography, Hydrogen Bond Analysis, and 15N NMR Spectroscopy","Journal of the American Chemical Society","2006","128","","8199","8210","10.1021/ja0541332","","","1.54178","CuKα","","0.0781","0.0504","","","0.1313","0.1453","","","","","","0.992","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110650","12.0468","0.0018","29.239","0.004","9.9229","0.0016","90","","114.241","0.005","90","","3187","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 N5 O11 -","- C33 H35 N5 O11 -","- C132 H140 N20 O44 -","4","1","","Z. Jane Li; Yuriy Abramov; Jon Bordner; Jason Leonard; Ales Medek; Andrew V. Trask","Solid-State Acid-Base Interactions in Complexes of Heterocyclic Bases with Dicarboxylic Acids: Crystallography, Hydrogen Bond Analysis, and 15N NMR Spectroscopy","Journal of the American Chemical Society","2006","128","","8199","8210","10.1021/ja0541332","","","1.54178","CuKα","","0.0683","0.0586","","","0.163","0.1719","","","","","","0.953","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110651","4.7763","0.0004","19.0308","0.0014","19.152","0.0014","100.425","0.002","90.146","0.002","95.269","0.002","1704.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H35 N5 O11 -","- C35 H35 N5 O11 -","- C70 H70 N10 O22 -","2","1","","Z. Jane Li; Yuriy Abramov; Jon Bordner; Jason Leonard; Ales Medek; Andrew V. Trask","Solid-State Acid-Base Interactions in Complexes of Heterocyclic Bases with Dicarboxylic Acids: Crystallography, Hydrogen Bond Analysis, and 15N NMR Spectroscopy","Journal of the American Chemical Society","2006","128","","8199","8210","10.1021/ja0541332","","","1.54178","CuKα","","0.0843","0.0637","","","0.1698","0.1841","","","","","","1.02","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110652","9.9","0.002","12.25","0.003","14.111","0.003","89.956","0.004","85.384","0.004","87.814","0.004","1704.5","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H13 B Cl0.5 F20 O Zr -","- C37 H13 B Cl0.502 F20 O Zr -","- C74 H26 B2 Cl1.004 F40 O2 Zr2 -","2","1","","Edward J. Stoebenau; Richard F. Jordan","Nonchelated d0 Zirconium-Alkoxide-Alkene Complexes","Journal of the American Chemical Society","2006","128","","8162","8175","10.1021/ja0575225","","","0.71073","MoKα","","0.0533","0.0434","","","0.1001","0.1037","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110653","8.582","0.001","8.878","0.001","18.408","0.002","90","","102.21","0.01","90","","1370.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 Li N3 -","- C12 H26 Li N3 -","- C48 H104 Li4 N12 -","4","1","","Gideon Fraenkel; Judith Gallucci; Hua Liu","Perturbation of Conjugation in Internally Solvated Allylic Lithium Compounds: Variation of Ligand Structure. NMR and X-ray Crystallography","Journal of the American Chemical Society","2006","128","","8211","8216","10.1021/ja060272n","","","0.71073","MoKα","","0.0445","0.0366","","0.1036","","0.0988","","","1.064","","","1.106","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110654","7.446","0.001","8.187","0.001","8.583","0.002","106.77","0.01","98.97","0.01","94.35","0.01","490.79","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Li2 N2 O2 -","- C16 H32 Li2 N2 O2 -","- C16 H32 Li2 N2 O2 -","1","0.5","","Gideon Fraenkel; Judith Gallucci; Hua Liu","Perturbation of Conjugation in Internally Solvated Allylic Lithium Compounds: Variation of Ligand Structure. NMR and X-ray Crystallography","Journal of the American Chemical Society","2006","128","","8211","8216","10.1021/ja060272n","","","0.71073","MoKα","","0.0508","0.0442","","0.1221","","0.1168","","","1.046","","","1.071","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110655","19.0259","0.0011","13.9453","0.0008","19.247","0.0012","90","","112.889","0.001","90","","4704.6","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 F12 N6 O5 Os P2 -","- C47 H42 F12 N6 O5 Os P2 -","- C188 H168 F48 N24 O20 Os4 P8 -","4","1","","Paul G. Hoertz; Aaron Staniszewski; Andras Marton; Gerard T. Higgins; Christopher D. Incarvito; Arnold L. Rheingold; Gerald J. Meyer","Toward Exceeding the Shockley-Queisser Limit: Photoinduced Interfacial Charge Transfer Processes that Store Energy in Excess of the Equilibrated Excited State","Journal of the American Chemical Society","2006","128","","8234","8245","10.1021/ja060470e","","","0.71073","MoKα","","0.0374","0.0331","","","0.1112","0.1169","","","","","","0.976","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110656","17.5217","0.0014","14.1894","0.0011","18.7241","0.0015","90","","96.457","0.001","90","","4625.7","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 F12 N6 O5 P2 Ru2 -","- C47 H42 F12 N6 O5 P2 Ru2 -","- C188 H168 F48 N24 O20 P8 Ru8 -","4","1","","Paul G. Hoertz; Aaron Staniszewski; Andras Marton; Gerard T. Higgins; Christopher D. Incarvito; Arnold L. Rheingold; Gerald J. Meyer","Toward Exceeding the Shockley-Queisser Limit: Photoinduced Interfacial Charge Transfer Processes that Store Energy in Excess of the Equilibrated Excited State","Journal of the American Chemical Society","2006","128","","8234","8245","10.1021/ja060470e","","","0.71073","MoKα","","0.078","0.0687","","","0.1953","0.2017","","","","","","1.472","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110657","5.3713","0.0011","25.738","0.005","20.962","0.004","90","","90.48","0.03","90","","2897.8","1","253","2","253","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H39 N5 O2 -","- C31 H39 N5 O2 -","- C124 H156 N20 O8 -","4","2","","Sigitas Stončius; Edvinas Orentas; Eugenius Butkus; Lars Öhrström; Ola F. Wendt; Kenneth Wärnmark","An Approach to Helical Tubular Self-Aggregation Using C2-Symmetric Self-Complementary Hydrogen-Bonding Cavity Molecules","Journal of the American Chemical Society","2006","128","","8272","8285","10.1021/ja061160z","","","0.872","synchrotron","","0.0842","0.0732","","","0.2177","0.238","","","","","","1.2","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110658","15.607","0.002","15.607","0.002","12.157","0.002","90","","90","","90","","2961.2","0.7","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C51 H104 Li4 N4 Si4 -","- C51 H104 Li4 N4 Si4 -","- C102 H208 Li8 N8 Si8 -","2","0.25","","Carsten Strohmann; Klaus Lehmen; Stefan Dilsky","A Monolithiated and Its Related 1,3-Dilithiated Allylsilane: Syntheses, Crystal Structures, and Reactivity","Journal of the American Chemical Society","2006","128","","8102","8103","10.1021/ja061286w","","","0.71073","MoKα","","0.0605","0.0476","","","0.1306","0.1388","","","","","","1.095","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110659","27.706","0.004","27.706","0.004","9.123","0.002","90","","90","","120","","6064.8","1.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H126 Li12 N6 Si6 -","- C66 H126 Li12 N6 Si6 -","- C198 H378 Li36 N18 Si18 -","3","0.166667","","Carsten Strohmann; Klaus Lehmen; Stefan Dilsky","A Monolithiated and Its Related 1,3-Dilithiated Allylsilane: Syntheses, Crystal Structures, and Reactivity","Journal of the American Chemical Society","2006","128","","8102","8103","10.1021/ja061286w","","","0.71073","MoKα","","0.0995","0.0566","","","0.1305","0.1422","","","","","","1.032","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110660","9.1032","0.0018","14.528","0.003","15.888","0.003","90","","102.46","0.03","90","","2051.7","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N -","- C13 H15 N -","- C104 H120 N8 -","8","2","","Norio Sakai; André Ridder; John F. Hartwig","Tropene Derivatives by Sequential Intermolecular and Transannular, Intramolecular Palladium-Catalyzed Hydroamination of Cycloheptatriene","Journal of the American Chemical Society","2006","128","","8134","8135","10.1021/ja061349a","","","0.71073","MoKα","","0.191","0.0624","","","0.1006","0.1325","","","","","","1.004","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110661","17.678","0.004","5.8367","0.0012","10.929","0.002","90","","90","","90","","1127.7","0.4","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","","Norio Sakai; André Ridder; John F. Hartwig","Tropene Derivatives by Sequential Intermolecular and Transannular, Intramolecular Palladium-Catalyzed Hydroamination of Cycloheptatriene","Journal of the American Chemical Society","2006","128","","8134","8135","10.1021/ja061349a","","","0.71073","MoKα","","0.0775","0.0517","","","0.1178","0.1297","","","","","","1.004","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110662","12.108","0.002","12.169","0.002","15.555","0.003","90","","110.16","0.03","90","","2151.5","0.8","253","2","253","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O Pt S -","- C27 H21 N O Pt S -","- C108 H84 N4 O4 Pt4 S4 -","4","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.0371","0.0261","","","0.0575","0.0591","","","","","","0.985","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110663","10.947","0.002","18.146","0.004","15.211","0.003","90","","101.45","0.03","90","","2961.4","1.1","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl3 N O Pt S -","- C34 H26 Cl3 N O Pt S -","- C136 H104 Cl12 N4 O4 Pt4 S4 -","4","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.053","0.0312","","","0.0625","0.0657","","","","","","0.77","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110664","14.94","0.003","21.964","0.004","10.23","0.002","90","","91.19","0.03","90","","3356.2","1.1","253","2","253","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 Br Cl4 N O Pt S -","- C35 H28 Br Cl4 N O Pt S -","- C140 H112 Br4 Cl16 N4 O4 Pt4 S4 -","4","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.0475","0.0352","","","0.0946","0.1106","","","","","","1.061","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110665","19.297","0.004","20.031","0.004","22.204","0.004","84.07","0.03","64.23","0.03","72.66","0.03","7374","3","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C161 H122 Cl18 N4 P4 Pt4 -","- C161 H122 Cl18 N4 P4 Pt4 -","- C322 H244 Cl36 N8 P8 Pt8 -","2","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71073","MoKα","","0.0995","0.059","","","0.1539","0.1708","","","","","","0.908","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110666","19.15","0.004","19.959","0.004","22.204","0.004","84.84","0.03","64.75","0.03","74.04","0.03","7376","3","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C176 H155 N4 O6.5 P4 Pt4 -","- C175.96 H135 N4 O6.49 P4 Pt4 -","- C351.92 H270 N8 O12.98 P8 Pt8 -","2","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.1098","0.0514","","","0.124","0.1684","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110667","15.4978","0.002","19.3316","0.0025","21.3081","0.0025","90.556","0.011","102.217","0.009","96.998","0.011","6188.6","1.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H52 N2 P2 Pt2 -","- C75 H52 N2 P2 Pt2 -","- C300 H208 N8 P8 Pt8 -","4","2","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.66538","","2.13","","","","","","","has coordinates,has Fobs","178877","2020-10-21","18:00:00",""
"4110668","17.3","0.004","18.041","0.004","46.692","0.009","90","","90","","90","","14573","5","253","2","253","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C89 H62 Cl6 N2 P2 Pt2 -","- C89 H62 Cl6 N2 P2 Pt2 -","- C712 H496 Cl48 N16 P16 Pt16 -","8","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.0888","0.0457","","","0.1267","0.1742","","","","","","1.114","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110669","13.915","0.003","31.731","0.006","18.321","0.004","90","","107.87","0.03","90","","7699","3","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H64 Br2 Cl6 N2 P2 Pt2 -","- C90 H64 Br2 Cl6 N2 P2 Pt2 -","- C360 H256 Br8 Cl24 N8 P8 Pt8 -","4","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.0565","0.0373","","","0.0946","0.1119","","","","","","0.966","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110670","23.752","0.005","14.84","0.003","22.983","0.005","90","","104.71","0.03","90","","7836","3","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89 H58 Cl6 F4 N2 P2 Pt2 -","- C89 H56 Cl6 F4 N2 P2 Pt2 -","- C356 H224 Cl24 F16 N8 P8 Pt8 -","4","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.0894","0.0411","","","0.0992","0.1185","","","","","","0.881","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110671","13.2965","0.0006","27.6752","0.0014","19.0564","0.0009","90","","103.359","0.001","90","","6822.7","0.6","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H108 O2 Si4 Y4 -","- C60 H108 O2 Si4 Y4 -","- C240 H432 O8 Si16 Y16 -","4","1","","Takanori Shima; Zhaomin Hou","Hydrogenation of Carbon Monoxide by Tetranuclear Rare Earth Metal Polyhydrido Complexes. Selective Formation of Ethylene and Isolation of Well-Defined Polyoxo Rare Earth Metal Clusters","Journal of the American Chemical Society","2006","128","","8124","8125","10.1021/ja062348l","","","0.71073","MoKα","","0.0879","0.0367","","","0.0557","0.0614","","","","","","0.777","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110672","20.2952","0.0011","14.6232","0.0008","24.9276","0.0014","90","","111.16","0.001","90","","6899.2","0.7","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H104 O3 Si4 Y4 -","- C59 H95 O3 Si4 Y4 -","- C236 H380 O12 Si16 Y16 -","4","1","","Takanori Shima; Zhaomin Hou","Hydrogenation of Carbon Monoxide by Tetranuclear Rare Earth Metal Polyhydrido Complexes. Selective Formation of Ethylene and Isolation of Well-Defined Polyoxo Rare Earth Metal Clusters","Journal of the American Chemical Society","2006","128","","8124","8125","10.1021/ja062348l","","","0.71073","MoKα","","0.1068","0.05","","","0.1091","0.1188","","","","","","0.89","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110673","14.5263","0.0011","14.1982","0.0011","28.12","0.002","90","","95.888","0.002","90","","5769.1","0.7","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H84 Lu4 O4 Si4 -","- C48 H84 Lu4 O4 Si4 -","- C192 H336 Lu16 O16 Si16 -","4","1","","Takanori Shima; Zhaomin Hou","Hydrogenation of Carbon Monoxide by Tetranuclear Rare Earth Metal Polyhydrido Complexes. Selective Formation of Ethylene and Isolation of Well-Defined Polyoxo Rare Earth Metal Clusters","Journal of the American Chemical Society","2006","128","","8124","8125","10.1021/ja062348l","","","0.71073","MoKα","","0.0833","0.0599","","","0.1114","0.119","","","","","","1.107","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110674","18.346","0.004","8.6134","0.0016","27.741","0.006","90","","105.69","0.003","90","","4220.3","1.5","193","2","193","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H19 F3 N2 O2 S -","- C23 H19 F3 N2 O2 S -","- C184 H152 F24 N16 O16 S8 -","8","2","","Yong-Qiang Wang; Jun Song; Ran Hong; Hongming Li; Li Deng","Asymmetric Friedel-Crafts Reaction of Indoles with Imines by an Organic Catalyst","Journal of the American Chemical Society","2006","128","","8156","8157","10.1021/ja062700v","","","0.71073","MoKα","","0.0893","0.0546","","","0.1367","0.1531","","","","","","1.035","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110675","6.686","0.005","17.88","0.005","18.293","0.005","90","0.005","90.289","0.005","90","0.005","2186.8","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H2 F6 O -","- C3 H2 F6 O -","- C48 H32 F96 O16 -","16","8","","Albrecht Berkessel; Jens A. Adrio; Daniel Hüttenhain; Jörg M. Neudörfl","Unveiling the ""Booster Effect"" of Fluorinated Alcohol Solvents: Aggregation-Induced Conformational Changes and Cooperatively Enhanced H-Bonding","Journal of the American Chemical Society","2006","128","","8421","8426","10.1021/ja0545463","","","0.71073","MoKα","","0.1228","0.0469","","","0.1054","0.1418","","","","","","0.836","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110676","4.8815","0.0004","9.4492","0.0014","16.934","0.002","90","","90","","90","","781.1","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 F3 O -","- C8 H7 F3 O -","- C32 H28 F12 O4 -","4","1","","Albrecht Berkessel; Jens A. Adrio; Daniel Hüttenhain; Jörg M. Neudörfl","Unveiling the ""Booster Effect"" of Fluorinated Alcohol Solvents: Aggregation-Induced Conformational Changes and Cooperatively Enhanced H-Bonding","Journal of the American Chemical Society","2006","128","","8421","8426","10.1021/ja0545463","","","0.71073","MoKα","","0.0721","0.0331","","","0.0504","0.0564","","","","","","1.027","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110677","9.757","0.007","10.038","0.007","17.677","0.01","91.64","0.02","91.11","0.02","115.11","0.02","1566.1","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 F3 O -","- C8 H7 F3 O -","- C64 H56 F24 O8 -","8","4","","Albrecht Berkessel; Jens A. Adrio; Daniel Hüttenhain; Jörg M. Neudörfl","Unveiling the ""Booster Effect"" of Fluorinated Alcohol Solvents: Aggregation-Induced Conformational Changes and Cooperatively Enhanced H-Bonding","Journal of the American Chemical Society","2006","128","","8421","8426","10.1021/ja0545463","","","0.71073","MoKα","","0.1809","0.0884","","","0.2404","0.2756","","","","","","1.028","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110678","10.3806","0.0012","14.7084","0.0016","11.1375","0.0012","90","","112.29","0.002","90","","1573.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ethyltris(2-furyl)phosphonium iodide","","","- C14 H14 I O3 P -","- C14 H14 I O3 P -","- C56 H56 I4 O12 P4 -","4","1","","Marco Ackermann; Aurelia Pascariu; Thomas Höcher; Hans-Ullrich Siehl; Stefan Berger","Electronic Properties of Furyl Substituents at Phosphorus and Their Influence on 31P NMR Chemical Shifts","Journal of the American Chemical Society","2006","128","","8434","8440","10.1021/ja057085u","","","0.71073","MoKα","","0.0297","0.0235","","","0.0594","0.0618","","","","","","1.063","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110679","10.2558","0.0016","12.515","0.002","15.051","0.002","69.132","0.003","80.813","0.003","83.241","0.003","1778.1","0.5","220","2","220","2","","","","","","","","5","P -1","-P 1","2","ethyl(2-furyl)diphenylphosphonium iodide","","","- C37 H28 I2 O P2 -","- C37 H28 I2 O P2 -","- C74 H56 I4 O2 P4 -","2","1","","Marco Ackermann; Aurelia Pascariu; Thomas Höcher; Hans-Ullrich Siehl; Stefan Berger","Electronic Properties of Furyl Substituents at Phosphorus and Their Influence on 31P NMR Chemical Shifts","Journal of the American Chemical Society","2006","128","","8434","8440","10.1021/ja057085u","","","0.71073","MoKα","","0.0679","0.0514","","","0.1195","0.1295","","","","","","1.048","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110680","14.283","0.002","11.5693","0.0017","20.138","0.003","90","","90","","90","","3327.7","0.8","293","2","220","2","","","","","","","","5","P c a 21","P 2c -2ac","29","ethylbis(2-furyl)phenylphosphonium iodide","","","- C16 H16 I O2 P -","- C16 H16 I O2 P -","- C128 H128 I8 O16 P8 -","8","2","","Marco Ackermann; Aurelia Pascariu; Thomas Höcher; Hans-Ullrich Siehl; Stefan Berger","Electronic Properties of Furyl Substituents at Phosphorus and Their Influence on 31P NMR Chemical Shifts","Journal of the American Chemical Society","2006","128","","8434","8440","10.1021/ja057085u","","","0.71073","MoKα","","0.035","0.0303","","","0.0704","0.0731","","","","","","1.107","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110681","3.6221","0.0004","6.8322","0.0007","9.1294","0.001","90","","99.298","0.009","90","","222.96","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 N4 O2 -","- C2 H6 N4 O2 -","- C4 H12 N8 O4 -","2","0.5","","Shinbyoung Ahn; Fang Guo; Benson M. Kariuki; Kenneth D. M. Harris","Abundant Polymorphism in a System with Multiple Hydrogen-Bonding Opportunities: Oxalyl Dihydrazide","Journal of the American Chemical Society","2006","128","","8441","8452","10.1021/ja0573155","","","1.54178","CuKα","","0.0319","0.0306","","","0.0884","0.0903","","","","","","1.152","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110682","3.762","0.004","11.652","0.005","5.619","0.002","90","","92.793","0.005","90","","246","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 N4 O2 -","- C2 H6 N4 O2 -","- C4 H12 N8 O4 -","2","0.5","","Shinbyoung Ahn; Fang Guo; Benson M. Kariuki; Kenneth D. M. Harris","Abundant Polymorphism in a System with Multiple Hydrogen-Bonding Opportunities: Oxalyl Dihydrazide","Journal of the American Chemical Society","2006","128","","8441","8452","10.1021/ja0573155","","","0.71069","MoKα","","0.1055","0.089","","","0.2046","0.2256","","","","","","1.245","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110683","5.0795","0.0004","14.6679","0.0014","7.0345","0.0007","90","","114.16","0.006","90","","478.2","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 N4 O2 -","- C2 H6 N4 O2 -","- C8 H24 N16 O8 -","4","1","","Shinbyoung Ahn; Fang Guo; Benson M. Kariuki; Kenneth D. M. Harris","Abundant Polymorphism in a System with Multiple Hydrogen-Bonding Opportunities: Oxalyl Dihydrazide","Journal of the American Chemical Society","2006","128","","8441","8452","10.1021/ja0573155","","","1.54178","CuKα","","0.0658","0.0436","","","0.1029","0.1133","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110684","3.6608","0.0005","14.55","0.002","5.0646","0.0008","90","","119.006","0.009","90","","235.93","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 N4 O2 -","- C2 H6 N4 O2 -","- C4 H12 N8 O4 -","2","0.5","","Shinbyoung Ahn; Fang Guo; Benson M. Kariuki; Kenneth D. M. Harris","Abundant Polymorphism in a System with Multiple Hydrogen-Bonding Opportunities: Oxalyl Dihydrazide","Journal of the American Chemical Society","2006","128","","8441","8452","10.1021/ja0573155","","","1.54178","CuKα","","0.0488","0.0374","","","0.0884","0.0951","","","","","","1.101","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110685","5.3642","0.0003","3.8412","0.0002","12.3191","0.0006","90","","108.999","0.003","90","","240.01","0.02","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 N4 O2 -","- C2 H6 N4 O2 -","- C4 H12 N8 O4 -","2","0.5","","Shinbyoung Ahn; Fang Guo; Benson M. Kariuki; Kenneth D. M. Harris","Abundant Polymorphism in a System with Multiple Hydrogen-Bonding Opportunities: Oxalyl Dihydrazide","Journal of the American Chemical Society","2006","128","","8441","8452","10.1021/ja0573155","","","1.54178","CuKα","","0.0391","0.036","","","0.0967","0.103","","","","","","1.102","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110686","21.5681","0.0008","13.868","0.0005","16.4697","0.0006","90","","90","","90","","4926.2","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H41 B11 I11 N -","- C25 H44.22 B11 I11 N2 -","- C100 H176.88 B44 I44 N8 -","4","0.5","","Evgenii S. Stoyanov; Kee-Chan Kim; Christopher A. Reed","An Infrared νNH Scale for Weakly Basic Anions. Implications for Single-Molecule Acidity and Superacidity","Journal of the American Chemical Society","2006","128","","8500","8508","10.1021/ja060714v","","","0.71073","MoKα","","0.0379","0.0304","","","0.0676","0.0697","","","","","","1.066","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110687","4.0139","0.0002","4.0139","0.0002","17.1663","0.0009","90","","90","","90","","276.57","0.02","240","2","240","2","","","","","","","synthesis as described","5","I 4/m m m","-I 4 2","139","Strontium manganese copper oxysulfide","","","- Cu2.96 Mn2 O4 S4 Sr4 -","- Cu2.956 Mn2 O4 S4 Sr4 -","- Cu2.956 Mn2 O4 S4 Sr4 -","1","0.03125","","Zoltán A. Gál; Oliver J. Rutt; Catherine F. Smura; Timothy P. Overton; Nicolas Barrier; Simon J. Clarke; Joke Hadermann","Structural Chemistry and Metamagnetism of an Homologous Series of Layered Manganese Oxysulfides","Journal of the American Chemical Society","2006","128","","8530","8540","10.1021/ja060892o","","x-ray","0.71073","MoKα","","0.0202","0.0194","","","0.0387","0.039","","","","","","1.225","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110688","4.0217","0.0001","4.0217","0.0001","11.418","0.0003","90","","90","","90","","184.676","0.008","293","2","293","2","","","","","","","synthesis as described","5","P 4/m m m","-P 4 2","123","Compound X","","","- Cu3.42 Mn O2 S3 Sr2 -","- Cu3.424 Mn O2 S3 Sr2 -","- Cu3.424 Mn O2 S3 Sr2 -","1","0.0625","","Zoltán A. Gál; Oliver J. Rutt; Catherine F. Smura; Timothy P. Overton; Nicolas Barrier; Simon J. Clarke; Joke Hadermann","Structural Chemistry and Metamagnetism of an Homologous Series of Layered Manganese Oxysulfides","Journal of the American Chemical Society","2006","128","","8530","8540","10.1021/ja060892o","","x-ray","0.71073","MoKα","","0.0213","0.0182","","","0.0391","0.0407","","","","","","1.1","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110689","4.0057","0.0002","4.0057","0.0002","28.296","0.0016","90","","90","","90","","454.03","0.04","293","2","293","2","","","","","","","synthesis as described","5","I 4/m m m","-I 4 2","139","Compound X","","","- Cu10.41 Mn2 O4 S8 Sr4 -","- Cu10.408 Mn2 O4 S8 Sr4 -","- Cu10.408 Mn2 O4 S8 Sr4 -","1","0.03125","","Zoltán A. Gál; Oliver J. Rutt; Catherine F. Smura; Timothy P. Overton; Nicolas Barrier; Simon J. Clarke; Joke Hadermann","Structural Chemistry and Metamagnetism of an Homologous Series of Layered Manganese Oxysulfides","Journal of the American Chemical Society","2006","128","","8530","8540","10.1021/ja060892o","","x-ray","0.71073","MoKα","","0.0291","0.0231","","","0.0549","0.0578","","","","","","1.128","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110690","28.2144","0.0015","5.6837","0.0003","5.6898","0.0003","90","","90","","90","","912.43","0.08","150","2","150","2","","","","","","","synthesis as described","5","C m c a","-C 2ac 2","64","Compound X","","","- Cu22.09 Mn4 O8 S16 Sr8 -","- Cu22.088 Mn4 O8 S16 Sr8 -","- Cu22.088 Mn4 O8 S16 Sr8 -","1","","","Zoltán A. Gál; Oliver J. Rutt; Catherine F. Smura; Timothy P. Overton; Nicolas Barrier; Simon J. Clarke; Joke Hadermann","Structural Chemistry and Metamagnetism of an Homologous Series of Layered Manganese Oxysulfides","Journal of the American Chemical Society","2006","128","","8530","8540","10.1021/ja060892o","","x-ray","0.71073","MoKα","","0.0637","0.0359","","","0.076","0.085","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110691","4.0177","0.0001","4.0177","0.0001","40.0019","0.0009","90","","90","","90","","645.71","0.03","293","2","293","2","","","","","","","synthesis as described","5","I 4/m m m","-I 4 2","139","Compound X","","","- Cu9.87 Mn4 O8 S10 Sr8 -","- Cu9.872 Mn4 O8 S10 Sr8 -","- Cu9.872 Mn4 O8 S10 Sr8 -","1","0.03125","","Zoltán A. Gál; Oliver J. Rutt; Catherine F. Smura; Timothy P. Overton; Nicolas Barrier; Simon J. Clarke; Joke Hadermann","Structural Chemistry and Metamagnetism of an Homologous Series of Layered Manganese Oxysulfides","Journal of the American Chemical Society","2006","128","","8530","8540","10.1021/ja060892o","","x-ray","0.71073","MoKα","","0.0223","0.0199","","","0.0451","0.0463","","","","","","1.037","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110692","10.817","0.002","28.533","0.006","17.917","0.004","90","","97.07","0.03","90","","5488","2","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H88 Li2 N2 O4 Zr -","- C56 H88 Li2 N2 O4 Zr -","- C224 H352 Li8 N8 O16 Zr4 -","4","1","","Mason R. Haneline; Alan F. Heyduk","C-C Bond-Forming Reductive Elimination from a Zirconium(IV) Redox-Active Ligand Complex","Journal of the American Chemical Society","2006","128","","8410","8411","10.1021/ja061107a","","","0.71073","MoKα","","0.0847","0.0453","","","0.0931","0.1116","","","","","","1.07","","","","has coordinates,has disorder","178877","2020-10-21","18:00:00",""
"4110693","9.7146","0.0019","31.482","0.006","16.446","0.003","90","","97.43","0.03","90","","4987.5","1.7","163","2","163","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H84 Li2 N2 O4 Zr -","- C46 H84 Li2 N2 O4 Zr -","- C184 H336 Li8 N8 O16 Zr4 -","4","1","","Mason R. Haneline; Alan F. Heyduk","C-C Bond-Forming Reductive Elimination from a Zirconium(IV) Redox-Active Ligand Complex","Journal of the American Chemical Society","2006","128","","8410","8411","10.1021/ja061107a","","","0.71073","MoKα","","0.0416","0.032","","","0.0716","0.0761","","","","","","1.028","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110694","14.505","0.003","14.878","0.003","19.855","0.004","85.052","0.003","86.758","0.003","61.016","0.003","3733.7","1.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc3N@C80(D5h).NiOEP.2benzene","","","- C128 H56 N5 Ni Sc3 -","- C128 H56 N5 Ni Sc3 -","- C256 H112 N10 Ni2 Sc6 -","2","1","","Ting Cai; Liaosa Xu; Mark R. Anderson; Zhongxin Ge; Tianming Zuo; Xuelei Wang; Marilyn M. Olmstead; Alan L. Balch; Harry W. Gibson; Harry C. Dorn","Structure and Enhanced Reactivity Rates of the D5h Sc3N@C80 and Lu3N@C80 Metallofullerene Isomers: The Importance of the Pyracylene Motif","Journal of the American Chemical Society","2006","128","","8581","8589","10.1021/ja0615573","","","0.71073","MoKα","","0.1124","0.0524","","","0.1151","0.1235","","","","","","0.864","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110695","6.2995","0.0013","7.6709","0.0015","26.378","0.005","90","","90","","90","","1274.7","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Phil S. Baran; Benjamin D. Hafensteiner; Narendra B. Ambhaikar; Carlos A. Guerrero; John D. Gallagher","Enantioselective Total Synthesis of Avrainvillamide and the Stephacidins","Journal of the American Chemical Society","2006","128","","8678","8693","10.1021/ja061660s","","","0.71073","MoKα","","0.0449","0.0374","","","0.0791","0.0828","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110696","13.869","0.003","7.4858","0.0015","14.598","0.003","90","","103.32","0.03","90","","1474.8","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N3 O8 -","- C29 H37 N3 O8 -","- C58 H74 N6 O16 -","2","1","","Phil S. Baran; Benjamin D. Hafensteiner; Narendra B. Ambhaikar; Carlos A. Guerrero; John D. Gallagher","Enantioselective Total Synthesis of Avrainvillamide and the Stephacidins","Journal of the American Chemical Society","2006","128","","8678","8693","10.1021/ja061660s","","","0.71073","MoKα","","0.2418","0.0751","","","0.0983","0.1469","","","","","","0.956","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110697","16.442","0.001","16.5926","0.001","22.4396","0.0014","90","","90","","90","","6121.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Cl2 N2 Ru -","- C30 H34 Cl2 N2 Ru -","- C240 H272 Cl16 N16 Ru8 -","8","1","","Donde R. Anderson; Daniel D. Hickstein; Daniel J. O'Leary; Robert H. Grubbs","Model Compounds of Ruthenium-Alkene Intermediates in Olefin Metathesis Reactions","Journal of the American Chemical Society","2006","128","","8386","8387","10.1021/ja0618090","","","0.71073","MoKα","","0.1032","0.0477","","","0.0656","0.068","","","","","","1.507","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4110698","6.3968","0.0002","14.9728","0.0007","16.0696","0.0005","90","","90.262","0.003","90","","1539.1","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 B7 Mn O3 -","- C12 H14 B7 Mn O3 -","- C48 H56 B28 Mn4 O12 -","4","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0391","0.0365","","0.0961","0.0942","","","","1.058","1.069","1.069","","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110699","6.3488","0.0004","15.1333","0.0011","16.1255","0.0013","90","","90.467","0.001","90","","1549.26","0.19","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 B7 O3 Re -","- C12 H14 B7 O3 Re -","- C48 H56 B28 O12 Re4 -","4","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0341","0.0315","","","0.0807","0.0829","","","","","","1.069","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110700","8.8158","0.0004","10.9388","0.0007","11.7103","0.0008","81.681","0.005","76.353","0.005","74.378","0.004","1052.87","0.11","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H23 B7 Mn N O3 -","- C17 H23 B7 Mn N O3 -","- C34 H46 B14 Mn2 N2 O6 -","2","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0539","0.0468","","","0.1355","0.1427","","","","","","1.086","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110701","8.8235","0.0008","11.0776","0.0011","11.7486","0.0011","81.348","0.007","75.948","0.007","72.778","0.006","1060.21","0.18","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H23 B7 N O3 Re -","- C17 H23 B7 N O3 Re -","- C34 H46 B14 N2 O6 Re2 -","2","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0288","0.0259","","","0.0613","0.0634","","","","","","1.093","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110702","24.732","0.002","9.4221","0.0008","17.6886","0.0017","90","","92.614","0.002","90","","4117.6","0.6","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 B7 N O2 Re -","- C16 H23 B7 N O2 Re -","- C128 H184 B56 N8 O16 Re8 -","8","2","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.03","0.0249","","","0.0552","0.0583","","","","","","1.011","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110703","14.7077","0.0011","10.1293","0.0008","14.4052","0.0013","90","","112.496","0.002","90","","1982.8","0.3","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 B7 Mn O2 P -","- C14 H23 B7 Mn O2 P -","- C56 H92 B28 Mn4 O8 P4 -","4","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0437","0.036","","","0.075","0.0789","","","","","","1.08","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110704","13.6131","0.0016","10.8102","0.001","20.42","0.002","90","","108.144","0.001","90","","2855.6","0.5","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 B7 Mn O2 P -","- C29 H29 B7 Mn O2 P -","- C116 H116 B28 Mn4 O8 P4 -","4","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0694","0.0485","","","0.1403","0.1992","","","","","","1.108","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110705","6.749","0.002","9.771","0.004","15.203","0.005","81.27","0.02","80.65","0.02","83.46","0.02","973.7","0.6","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 B7 O2 P Re -","- C14 H23 B7 O2 P Re -","- C28 H46 B14 O4 P2 Re2 -","2","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0224","0.0202","","","0.0433","0.0444","","","","","","1.097","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110706","13.8587","0.0011","10.8412","0.0009","20.6732","0.0016","90","","109.562","0.001","90","","2926.8","0.4","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 B7 O2 P Re -","- C29 H29 B7 O2 P Re -","- C116 H116 B28 O8 P4 Re4 -","4","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0284","0.025","","","0.0585","0.0615","","","","","","1.062","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110707","15.0215","0.0007","11.8681","0.0005","13.6068","0.0006","90","","96.46","0.001","90","","2410.37","0.19","143","1","143","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H32 B7 O2 P2 Re -","- C17 H32 B7 O2 P2 Re -","- C68 H128 B28 O8 P8 Re4 -","4","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71073","MoKα","","0.0774","0.0549","","","0.1471","0.1686","","","","","","1.112","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110708","11.1322","0.0007","17.1778","0.0012","24.5691","0.0018","90","","90","","90","","4698.3","0.6","143","1","143","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H32 B7 O P2 Re -","- C16 H32 B7 O P2 Re -","- C128 H256 B56 O8 P16 Re8 -","8","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0571","0.0273","","","0.0455","0.0517","","","","","","0.841","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110709","33.5715","0.0007","33.5715","0.0007","68.2468","0.0014","90","","90","","90","","76917","3","153","2","153","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C640 H1072 Cu24 N32 O176 -","- C524 H768 Cu24 N4 O144 -","- C2096 H3072 Cu96 N16 O576 -","4","0.25","","Hiroyasu Furukawa; Jaheon Kim; Katherine E. Plass; Omar M. Yaghi","Crystal Structure, Dissolution, and Deposition of a 5 nm Functionalized Metal-Organic Great Rhombicuboctahedron","Journal of the American Chemical Society","2006","128","","8398","8399","10.1021/ja062491e","","","0.71073","MoKα","","0.183","0.1178","","","0.3336","0.3641","","","","","","1.066","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110710","23.22","0.005","8.3011","0.0017","11.212","0.002","90","","90","","90","","2161.1","0.7","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C22 H22 Br N O6 S -","- C22 H22 Br N O6 S -","- C88 H88 Br4 N4 O24 S4 -","4","1","","Ming He; Justin R. Struble; Jeffrey W. Bode","Highly Enantioselective Azadiene Diels-Alder Reactions Catalyzed by Chiral N-Heterocyclic Carbenes","Journal of the American Chemical Society","2006","128","","8418","8420","10.1021/ja062707c","","","0.71073","MoKα","","0.2414","0.0816","","","0.1429","0.1781","","","","","","1.087","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110711","9.75","0.004","15.374","0.006","19.369","0.011","96.84","0.03","95.38","0.04","90.8","0.03","2869","2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","Hexakis(4-methylethylamino-phenyl)benzene, dichloromethane solvate","","- C62 H76 Cl4 N6 -","- C62 H76 Cl4 N6 -","- C124 H152 Cl8 N12 -","2","1","","Sergiy V. Rosokha; Ivan S. Neretin; Duoli Sun; Jay K. Kochi","Very Fast Electron Migrations within p-Doped Aromatic Cofacial Arrays Leading to Three-Dimensional (Toroidal) π-Delocalization","Journal of the American Chemical Society","2006","128","","9394","9407","10.1021/ja060393n","","","0.71073","MoKα","","0.1814","0.0782","","","0.198","0.2304","","","","","","0.873","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110712","9.3616","0.0006","18.6148","0.0011","18.8933","0.0011","63.621","0.001","84.051","0.001","78.052","0.001","2885.4","0.3","123","2","123","2","","","","","","","synthesis","4","P -1","-P 1","2","","Hexakis(4-diethylamino-phenyl)benzene, dichloromethane solvate","","- C66.08 H84.16 Cl0.16 N6 -","- C66.082 H84.164 Cl0.164 N6 -","- C132.164 H168.328 Cl0.328 N12 -","2","1","","Sergiy V. Rosokha; Ivan S. Neretin; Duoli Sun; Jay K. Kochi","Very Fast Electron Migrations within p-Doped Aromatic Cofacial Arrays Leading to Three-Dimensional (Toroidal) π-Delocalization","Journal of the American Chemical Society","2006","128","","9394","9407","10.1021/ja060393n","","","0.71073","MoKα","","0.1262","0.0984","","0.2957","0.2573","","","","1.018","1.063","1.063","","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110713","39.292","0.002","16.3439","0.0009","40.408","0.002","90","","111.055","0.002","90","","24217","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Hexakis(N-3,6-di-n-butoxylcarbazolyl)benzene, acetonitrile solvate","","- C134 H147 N10 O12 -","- C134 H147 N10 O12 -","- C1072 H1176 N80 O96 -","8","1","","Sergiy V. Rosokha; Ivan S. Neretin; Duoli Sun; Jay K. Kochi","Very Fast Electron Migrations within p-Doped Aromatic Cofacial Arrays Leading to Three-Dimensional (Toroidal) π-Delocalization","Journal of the American Chemical Society","2006","128","","9394","9407","10.1021/ja060393n","","","0.71073","MoKα","","0.1523","0.0626","","","0.1545","0.1768","","","","","","0.897","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110714","5.6454","0.001","8.273","0.0014","12.505","0.002","87.45","0.003","84.949","0.003","74.79","0.003","561.25","0.16","213","2","213","2","","","","","","","","3","P 1","P 1","1","","","","- C24 H32 O5 -","- C24 H32 O5 -","- C24 H32 O5 -","1","1","","David A. Evans; Victor J. Cee; Sarah J. Siska","Asymmetric Induction in Methyl Ketone Aldol Additions to α-Alkoxy and α,β-Bisalkoxy Aldehydes: A Model for Acyclic Stereocontrol","Journal of the American Chemical Society","2006","128","","9433","9441","10.1021/ja061010o","","","0.71073","MoKα","","0.0491","0.0472","","","0.1281","0.1301","","","","","","1.014","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110715","8.8336","0.0005","2.83387","0.00018","10.6535","0.0007","90","","90","","90","","266.69","0.03","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Li0.46 Mn O2 -","- Li0.458335 Mn O2 -","- Li3.66668 Mn8 O16 -","8","1","","Kazunari Yamaura; Qingzhen Huang; Lianqi Zhang; Kazunori Takada; Yuji Baba; Takuro Nagai; Yoshio Matsui; Kosuke Kosuda; Eiji Takayama-Muromachi","Spinel-to-CaFe2O4-Type Structural Transformation in LiMn2O4 under High Pressure","Journal of the American Chemical Society","2006","128","","9448","9456","10.1021/ja0612302","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","178878","2020-10-21","18:00:00",""
"4110716","11.769","0.002","13.674","0.002","22.111","0.004","95.92","0.01","103.3","0.01","111.592","0.009","3149.8","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H80 N6 P2 Si5 Ta2 -","- C59 H80 N6 P2 Si5 Ta2 -","- C118 H160 N12 P4 Si10 Ta4 -","2","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71073","MoKα","","0.1174","0.0591","","","0.1207","0.1361","","","","","","0.963","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110717","12.569","0.001","21.945","0.002","26.24","0.002","90","","100.075","0.006","90","","7126.1","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H87 N6 P2 Si6 Ta2 -","- C63 H87 N6 P2 Si6 Ta2 -","- C252 H348 N24 P8 Si24 Ta8 -","4","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71069","MoKα","","0.0986","0.0618","","","0.1462","0.1555","","","","","","1.104","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110718","14.825","0.006","29.26","0.03","15.831","0.008","90","","95.262","0.013","90","","6838","8","293","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N6 O0 P2 Si5 Ta2 -","- C58 H67 N6 O P2 Si5 Ta2 -","- C232 H268 N24 O4 P8 Si20 Ta8 -","4","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71073","MoKα","","0.0865","0.0705","","","0.1552","0.1682","","","","","","1.132","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110719","12.8753","0.0008","22.779","0.001","21.855","0.002","90","","92.748","0.006","90","","6402.4","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 N6 P2 Si6 Ta2 -","- C60 H72 N6 P2 Si6 Ta2 -","- C240 H288 N24 P8 Si24 Ta8 -","4","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71073","MoKα","","0.0843","0.0398","","","0.0664","0.0746","","","","","","0.895","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110720","11.8419","0.0007","11.9083","0.0008","23.138","0.001","77.6","0.005","86.566","0.005","78.906","0.005","3126.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H82 N6 P2 Si7 Ta2 -","- C54 H82 N6 P2 Si7 Ta2 -","- C108 H164 N12 P4 Si14 Ta4 -","2","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71073","MoKα","","0.0693","0.0453","","","0.1037","0.1124","","","","","","0.984","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110721","20.58","0.001","12.4542","0.0007","21.982","0.001","90","","100.08","0.005","90","","5547.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C50 H65 N6 P2 Si6 Ta2 -","- C50 H65 N6 P2 Si6 Ta2 -","- C200 H260 N24 P8 Si24 Ta8 -","4","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71069","MoKα","","0.1","0.0762","","","0.1523","0.1581","","","","","","1.295","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110722","12.0192","0.0011","12.6626","0.001","20.0047","0.0015","99.617","0.003","95.079","0.004","99.602","0.004","2938.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H72 N6 P2 Si5 Ta2 -","- C55 H72 N6 P2 Si5 Ta2 -","- C110 H144 N12 P4 Si10 Ta4 -","2","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71073","MoKα","","0.0552","0.0421","","","0.0954","0.1043","","","","","","1.11","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110723","12.715","0.005","21.471","0.012","24.07","0.016","90","","104.354","0.019","90","","6366","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 N6 P2 Si5 Ta2 -","- C56 N6 P2 Si6 Ta2 -","- C224 N24 P8 Si24 Ta8 -","4","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71069","MoKα","","0.0528","0.0339","","","0.0805","0.0845","","","","","","1.056","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110724","12.4117","0.0014","13.707","0.0015","19.505","0.002","89.074","0.002","75.986","0.002","80.03","0.002","3169.8","0.6","166","2","166","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H78 Ge K2 N6 O16 -","- C54 H78 Ge K2 N6 O16 -","- C108 H156 Ge2 K4 N12 O32 -","2","1","","Anna V. Davis; Timothy K. Firman; Benjamin P. Hay; Kenneth N. Raymond","d-Orbital Effects on Stereochemical Non-Rigidity: Twisted TiIV Intramolecular Dynamics","Journal of the American Chemical Society","2006","128","","9484","9496","10.1021/ja0617946","","","0.71073","MoKα","","0.0681","0.0586","","","0.1654","0.1741","","","","","","1.068","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110725","20.9569","0.0008","20.9569","0.0008","20.9569","0.0008","90","","90","","90","","9204.1","0.6","133","2","146","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C39 H54 K2 N6 O12 Ti -","- C39 H54 K2 N6 O12 Ti -","- C312 H432 K16 N48 O96 Ti8 -","8","0.333333","","Anna V. Davis; Timothy K. Firman; Benjamin P. Hay; Kenneth N. Raymond","d-Orbital Effects on Stereochemical Non-Rigidity: Twisted TiIV Intramolecular Dynamics","Journal of the American Chemical Society","2006","128","","9484","9496","10.1021/ja0617946","","","0.71073","MoKα","","0.0739","0.0546","","","0.1506","0.1663","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110726","17.8619","0.0012","17.1753","0.0012","22.8947","0.0016","90","","106.161","0.002","90","","6746.2","0.8","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H89 N11 Na2 O17 Ti -","- C57 H89 N11 Na2 O17 Ti -","- C228 H356 N44 Na8 O68 Ti4 -","4","0.5","","Anna V. Davis; Timothy K. Firman; Benjamin P. Hay; Kenneth N. Raymond","d-Orbital Effects on Stereochemical Non-Rigidity: Twisted TiIV Intramolecular Dynamics","Journal of the American Chemical Society","2006","128","","9484","9496","10.1021/ja0617946","","","0.71073","MoKα","","0.0853","0.0552","","","0.1385","0.1553","","","","","","1.037","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110727","20.094","0.008","8.227","0.003","17.955","0.007","90","","107.859","0.008","90","","2825.2","1.9","293","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 N4 O7 -","- C27 H44 N4 O7 -","- C108 H176 N16 O28 -","4","1","","Adinela Cazacu; Christine Tong; Arie van der Lee; Thomas M. Fyles; Mihail Barboiu","Columnar Self-Assembled Ureido Crown Ethers: An Example of Ion-Channel Organization in Lipid Bilayers","Journal of the American Chemical Society","2006","128","","9541","9548","10.1021/ja061861w","","","0.51091","synchrotron","","0.1644","0.1066","","0.1263","0.1139","0.1139","","","","","","1.1121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110728","13.798","0.0005","24.314","0.0014","25.605","0.0015","90","","100.336","0.003","90","","8450.7","0.8","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C255.5 H119.5 Cl5 Co2 N13.5 O8 -","- C255.5 H119.5 Cl5 Co2 N13.5 O8 -","- C511 H239 Cl10 Co4 N27 O16 -","2","0.5","","Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Gunzi Saito; Rimma N. Lyubovskaya","Negatively Charged π-(C60-)2 Dimer with Biradical State at Room Temperature","Journal of the American Chemical Society","2006","128","","9292","9293","10.1021/ja062143c","","","0.71073","MoKα","","0.0774","0.0543","","","0.13","0.1433","","","","","","1.015","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110729","12.5935","0.0006","19.8342","0.0009","18.6469","0.0009","90","","91.107","0.001","90","","4656.8","0.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cp^*^~3~Y~3~(μ-Cl)3(μ3-Cl)(μ3-CH~2~)(THF)~3]","","","- C43 H71 Cl4 O3 Y3 -","- C43 H71 Cl4 O3 Y3 -","- C172 H284 Cl16 O12 Y12 -","4","1","","H. Martin Dietrich; Karl W. Törnroos; Reiner Anwander","""Ionic Carbenes"": Synthesis, Structural Characterization, and Reactivity of Rare-Earth Metal Methylidene Complexes","Journal of the American Chemical Society","2006","128","","9298","9299","10.1021/ja062523y","","","0.71073","MoKα","","0.0465","0.0307","","","0.0735","0.0798","","","","","","1.033","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110730","12.7632","0.0003","20.3687","0.0005","18.743","0.0005","90","","90.324","0.001","90","","4872.5","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cp^*^~3~La~3~(μ-Cl)3(μ3-Cl)(μ3-CH~2~)(THF)~3]","","","- C43 H71 Cl4 La3 O3 -","- C43 H71 Cl4 La3 O3 -","- C172 H284 Cl16 La12 O12 -","4","1","","H. Martin Dietrich; Karl W. Törnroos; Reiner Anwander","""Ionic Carbenes"": Synthesis, Structural Characterization, and Reactivity of Rare-Earth Metal Methylidene Complexes","Journal of the American Chemical Society","2006","128","","9298","9299","10.1021/ja062523y","","","0.71073","MoKα","","0.0394","0.0278","","","0.0685","0.0742","","","","","","1.039","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110731","67.66","0.06","7.23","0.005","5.848","0.005","90","","91.395","0.011","90","","2860","4","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 -","- C40 H42 -","- C160 H168 -","4","0.5","","Hong Meng; Fangping Sun; Marc B. Goldfinger; Feng Gao; David J. Londono; Will J. Marshal; Greg S. Blackman; Kerwin D. Dobbs; Dalen E. Keys","2,6-Bis[2-(4-pentylphenyl)vinyl]anthracene: A Stable and High Charge Mobility Organic Semiconductor with Densely Packed Crystal Structure","Journal of the American Chemical Society","2006","128","","9304","9305","10.1021/ja062683+","","","0.71073","MoKα","","0.2774","0.1048","","","0.2359","0.3474","","","","","","0.939","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110732","7.3166","0.0003","7.3166","0.0003","26.1924","0.0013","90","","90","","120","","1214.3","0.09","130","2","130","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C6 H16 F6 N4 Ni3 O8 S2 -","- C6 H16 F6 N4 Ni3 O8 S2 -","- C18 H48 F18 N12 Ni9 O24 S6 -","3","0.166667","","J. N. Behera; C. N. R. Rao","A Ni2+ (S = 1) Kagome Compound Templated by 1,8-Diazacubane","Journal of the American Chemical Society","2006","128","","9334","9335","10.1021/ja063385f","","","0.71073","MoKα","","0.0343","0.0328","","0.0933","0.0924","","","","1.126","1.161","1.161","","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110733","11.5677","0.0002","20.2995","0.0003","27.9851","0.0006","90","","90","","90","","6571.4","0.2","200","","200","","","","","","","","local","6","P b c a","-P 2ac 2ab","61","","","","- C17 H28.98 B11 Br6.02 Cl2 O2 -","- C17 H28.981 B11 Br6.0194 Cl2 O2 -","- C136 H231.848 B88 Br48.1552 Cl16 O16 -","8","1","","Stephen B. Lee; Anthony C. Willis; Richard D. Webster","Synthesis of the Phenoxonium Cation of an α-Tocopherol Model Compound Crystallized with Non-Nucleophilic [B(C6F5)4]-and (CB11H6Br6)- Anions","Journal of the American Chemical Society","2006","128","","9332","9333","10.1021/ja0634268","","","0.71073","MoKα","","0.0771","0.0321","","0.0716","0.0655","0.0716","","","","","","0.7283","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110734","11.9549","0.0002","17.498","0.0004","17.3301","0.0003","90","","98.7693","0.0013","90","","3582.85","0.12","200","","200","","","","","","","","local","5","C 1 c 1","C -2yc","9","","","","- C38 H19 B F20 O2 -","- C38 H19 B F20 O2 -","- C152 H76 B4 F80 O8 -","4","1","","Stephen B. Lee; Anthony C. Willis; Richard D. Webster","Synthesis of the Phenoxonium Cation of an α-Tocopherol Model Compound Crystallized with Non-Nucleophilic [B(C6F5)4]-and (CB11H6Br6)- Anions","Journal of the American Chemical Society","2006","128","","9332","9333","10.1021/ja0634268","","","0.71073","MoKα","","0.0423","0.0316","","0.0733","0.0694","0.0733","","","","","","0.8816","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110735","9.0787","0.0002","10.7742","0.0003","13.2895","0.0003","91.1222","0.0016","103.464","0.0014","97.1591","0.0016","1252.75","0.05","200","","200","","","","","","","","local","3","P -1","-P 1","2","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","2","","Stephen B. Lee; Anthony C. Willis; Richard D. Webster","Synthesis of the Phenoxonium Cation of an α-Tocopherol Model Compound Crystallized with Non-Nucleophilic [B(C6F5)4]-and (CB11H6Br6)- Anions","Journal of the American Chemical Society","2006","128","","9332","9333","10.1021/ja0634268","","","0.71073","MoKα","","0.0553","0.0382","","0.0982","0.0927","0.0982","","","","","","0.9001","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110736","15.052","0.003","10.636","0.002","28.982","0.006","90","","97.33","0.03","90","","4601.9","1.6","230","1","230","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Uran-lithium","","","- C42 H65 Cl3 Li O2 Si2 U2 -","- C42 H65 Cl3 Li O2 Si2 U2 -","- C168 H260 Cl12 Li4 O8 Si8 U8 -","4","1","","Jiaxi Wang; Ylia Gurevich; Mark Botoshansky; Moris S. Eisen","Unique σ-Bond Metathesis of Silylalkynes Promoted by an ansa-Dimethylsilyl and Oxo-Bridged Uranium Metallocene","Journal of the American Chemical Society","2006","128","","9350","9351","10.1021/ja063443x","","","0.71073","MoKα","","0.1677","0.065","","","0.1167","0.1513","","","","","","0.944","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110737","8.3847","0.0017","15.41","0.003","9.877","0.002","90","","113.862","0.003","90","","1167.1","0.4","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 Cl2 N6 -","- C24 H26 Cl2 N6 -","- C48 H52 Cl4 N12 -","2","1","","Laura D. Shirtcliff; Austin G. Hayes; Michael M. Haley; Felix Köhler; Kirsten Hess; Rainer Herges","Biscyclization Reactions in Butadiyne- and Ethyne-Linked Triazenes and Diazenes: Concerted versus Stepwise Coarctate Cyclizations","Journal of the American Chemical Society","2006","128","","9711","9721","10.1021/ja054547v","","","0.71073","MoKα","","0.0476","0.0461","","","0.1244","0.1259","","","","","","1.047","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110738","8.4009","0.0014","9.622","0.0015","9.9493","0.0016","90","","100.323","0.0008","90","","791.2","0.2","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C34 H38 N2 O4 S2 -","2","1","","Yoshimitsu Nagao; Satoshi Miyamoto; Motoyuki Miyamoto; Hiroe Takeshige; Kazuhiko Hayashi; Shigeki Sano; Motoo Shiro; Kentaro Yamaguchi; Yoshihisa Sei","Highly Stereoselective Asymmetric Pummerer Reactions That Incorporate Intermolecular and Intramolecular Nonbonded S...O Interactions","Journal of the American Chemical Society","2006","128","","9722","9729","10.1021/ja056649r","","","1.54187","CuKα","","","0.0849","","","","0.1795","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110739","5.3737","0.0011","8.0001","0.0011","17.7295","0.0017","90","","94.031","0.007","90","","760.3","0.2","93.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C32 H32 N4 O8 S2 -","2","1","","Yoshimitsu Nagao; Satoshi Miyamoto; Motoyuki Miyamoto; Hiroe Takeshige; Kazuhiko Hayashi; Shigeki Sano; Motoo Shiro; Kentaro Yamaguchi; Yoshihisa Sei","Highly Stereoselective Asymmetric Pummerer Reactions That Incorporate Intermolecular and Intramolecular Nonbonded S...O Interactions","Journal of the American Chemical Society","2006","128","","9722","9729","10.1021/ja056649r","","","1.54187","CuKα","","","0.034","","","","0.098","","","","","","1.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110740","16.0529","0.0006","16.0529","0.0006","13.3484","0.001","90","","90","","120","","2979","0.3","93.1","","","","","","","","","","","5","P 31","P 31","144","","","","- C20 H23.3333 N O3 S -","- C20 H21 N O3 S -","- C120 H126 N6 O18 S6 -","6","2","","Yoshimitsu Nagao; Satoshi Miyamoto; Motoyuki Miyamoto; Hiroe Takeshige; Kazuhiko Hayashi; Shigeki Sano; Motoo Shiro; Kentaro Yamaguchi; Yoshihisa Sei","Highly Stereoselective Asymmetric Pummerer Reactions That Incorporate Intermolecular and Intramolecular Nonbonded S...O Interactions","Journal of the American Chemical Society","2006","128","","9722","9729","10.1021/ja056649r","","","1.54187","CuKα","","","0.0476","","","","0.1173","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110741","5.739","0.0004","11.5465","0.0008","24.7603","0.0016","90","","90","","90","","1640.75","0.19","93.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Yoshimitsu Nagao; Satoshi Miyamoto; Motoyuki Miyamoto; Hiroe Takeshige; Kazuhiko Hayashi; Shigeki Sano; Motoo Shiro; Kentaro Yamaguchi; Yoshihisa Sei","Highly Stereoselective Asymmetric Pummerer Reactions That Incorporate Intermolecular and Intramolecular Nonbonded S...O Interactions","Journal of the American Chemical Society","2006","128","","9722","9729","10.1021/ja056649r","","","1.54187","CuKα","","","0.0453","","","","0.0826","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110742","5.7455","0.0009","16.488","0.003","20.354","0.003","90","","90","","90","","1928.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cl O -","- C22 H23 Cl O -","- C88 H92 Cl4 O4 -","4","1","","Xian-Ming Deng; Ping Cai; Song Ye; Xiu-Li Sun; Wei-Wei Liao; Kai Li; Yong Tang; Yun-Dong Wu; Li-Xin Dai","Enantioselective Synthesis of Vinylcyclopropanes and Vinylepoxides Mediated by Camphor-Derived Sulfur Ylides: Rationale of Enantioselectivity, Scope, and Limitation","Journal of the American Chemical Society","2006","128","","9730","9740","10.1021/ja056751o","","","0.71073","MoKα","","0.1326","0.0628","","","0.1114","0.1475","","","","","","0.974","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110743","6.9897","0.0011","9.7442","0.0015","11.9069","0.0019","100.29","0.003","107.477","0.003","91.366","0.003","758.5","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H14 Br N -","- C18 H14 Br N -","- C36 H28 Br2 N2 -","2","2","","Xian-Ming Deng; Ping Cai; Song Ye; Xiu-Li Sun; Wei-Wei Liao; Kai Li; Yong Tang; Yun-Dong Wu; Li-Xin Dai","Enantioselective Synthesis of Vinylcyclopropanes and Vinylepoxides Mediated by Camphor-Derived Sulfur Ylides: Rationale of Enantioselectivity, Scope, and Limitation","Journal of the American Chemical Society","2006","128","","9730","9740","10.1021/ja056751o","","","0.71073","MoKα","","0.0979","0.0582","","","0.1349","0.1522","","","","","","0.839","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110744","5.8427","0.0009","12.5166","0.0018","25.536","0.004","90","","90","","90","","1867.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Br O -","- C24 H19 Br O -","- C96 H76 Br4 O4 -","4","1","","Xian-Ming Deng; Ping Cai; Song Ye; Xiu-Li Sun; Wei-Wei Liao; Kai Li; Yong Tang; Yun-Dong Wu; Li-Xin Dai","Enantioselective Synthesis of Vinylcyclopropanes and Vinylepoxides Mediated by Camphor-Derived Sulfur Ylides: Rationale of Enantioselectivity, Scope, and Limitation","Journal of the American Chemical Society","2006","128","","9730","9740","10.1021/ja056751o","","","0.71073","MoKα","","0.1113","0.047","","","0.0821","0.0964","","","","","","0.746","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110745","27.444","0.004","7.3176","0.0011","11.7413","0.0018","90","","94.928","0.003","90","","2349.2","0.6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C18 H37 Br O2 S Si -","- C18 H37 Br O2 S Si -","- C72 H148 Br4 O8 S4 Si4 -","4","1","","Xian-Ming Deng; Ping Cai; Song Ye; Xiu-Li Sun; Wei-Wei Liao; Kai Li; Yong Tang; Yun-Dong Wu; Li-Xin Dai","Enantioselective Synthesis of Vinylcyclopropanes and Vinylepoxides Mediated by Camphor-Derived Sulfur Ylides: Rationale of Enantioselectivity, Scope, and Limitation","Journal of the American Chemical Society","2006","128","","9730","9740","10.1021/ja056751o","","","0.71073","MoKα","","0.0791","0.0481","","","0.0945","0.1028","","","","","","0.804","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110746","10.5103","0.0005","10.6685","0.0007","11.2533","0.0007","90","","90","","90","","1261.82","0.13","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N O2 Rh -","- C13 H20 N O2 Rh -","- C52 H80 N4 O8 Rh4 -","4","1","","Dennis G. H. Hetterscheid; Coen Hendriksen; Wojciech I. Dzik; Jan M. M. Smits; Ernst R. H. van Eck; Alan E. Rowan; Vincenzo Busico; Michele Vacatello; Valeria Van Axel Castelli; Annalaura Segre; Erica Jellema; Tom G. Bloemberg; Bas de Bruin","Rhodium-Mediated Stereoselective Polymerization of ""Carbenes""","Journal of the American Chemical Society","2006","128","","9746","9752","10.1021/ja058722j","","","0.71073","MoKα","","0.0211","0.0203","","0.0495","0.049","0.0495","","","1.054","","","1.054","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110747","9.0881","0.0005","10.9092","0.0004","17.6478","0.0006","90","","90","","90","","1749.67","0.13","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Ir N O2 -","- C20 H26 Ir N O2 -","- C80 H104 Ir4 N4 O8 -","4","1","","Dennis G. H. Hetterscheid; Coen Hendriksen; Wojciech I. Dzik; Jan M. M. Smits; Ernst R. H. van Eck; Alan E. Rowan; Vincenzo Busico; Michele Vacatello; Valeria Van Axel Castelli; Annalaura Segre; Erica Jellema; Tom G. Bloemberg; Bas de Bruin","Rhodium-Mediated Stereoselective Polymerization of ""Carbenes""","Journal of the American Chemical Society","2006","128","","9746","9752","10.1021/ja058722j","","","0.71073","MoKα","","0.0137","0.0124","","0.0256","0.0252","0.0256","","","1.078","","","1.078","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110748","10.2013","0.0003","9.9992","0.0004","13.0016","0.0007","90","","109.978","0.004","90","","1246.42","0.1","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N O2 Rh -","- C14 H16 N O2 Rh -","- C56 H64 N4 O8 Rh4 -","4","1","","Dennis G. H. Hetterscheid; Coen Hendriksen; Wojciech I. Dzik; Jan M. M. Smits; Ernst R. H. van Eck; Alan E. Rowan; Vincenzo Busico; Michele Vacatello; Valeria Van Axel Castelli; Annalaura Segre; Erica Jellema; Tom G. Bloemberg; Bas de Bruin","Rhodium-Mediated Stereoselective Polymerization of ""Carbenes""","Journal of the American Chemical Society","2006","128","","9746","9752","10.1021/ja058722j","","","0.71073","MoKα","","0.0271","0.02","","0.0418","0.0394","0.0418","","","1.102","","","1.102","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110749","9.1192","0.0007","10.8625","0.0004","17.6706","0.0008","90","","90","","90","","1750.4","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N O2 Rh -","- C20 H26 N O2 Rh -","- C80 H104 N4 O8 Rh4 -","4","1","","Dennis G. H. Hetterscheid; Coen Hendriksen; Wojciech I. Dzik; Jan M. M. Smits; Ernst R. H. van Eck; Alan E. Rowan; Vincenzo Busico; Michele Vacatello; Valeria Van Axel Castelli; Annalaura Segre; Erica Jellema; Tom G. Bloemberg; Bas de Bruin","Rhodium-Mediated Stereoselective Polymerization of ""Carbenes""","Journal of the American Chemical Society","2006","128","","9746","9752","10.1021/ja058722j","","","0.71073","MoKα","","0.0178","0.0156","","0.0351","0.0343","0.0351","","","1.06","","","1.06","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110750","8.9672","0.0013","22.516","0.002","15.026","0.002","90","","99.725","0.015","90","","2990.2","0.7","183","2","183","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C31 H47 N3 Sn -","- C31 H47 N3 Sn -","- C124 H188 N12 Sn4 -","4","0.5","","Andrew P. Dove; Vernon C. Gibson; Edward L. Marshall; Henry S. Rzepa; Andrew J. P. White; David J. Williams","Synthetic, Structural, Mechanistic, and Computational Studies on Single-Site β-Diketiminate Tin(II) Initiators for the Polymerization of rac-Lactide","Journal of the American Chemical Society","2006","128","","9834","9843","10.1021/ja061400a","","","1.54178","CuKα","","0.0369","0.0327","","0.0841","0.081","","","","1.073","1.089","1.089","","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110751","7.2919","0.0013","10.6268","0.0009","25.237","0.003","90","","96.196","0.008","90","","1944.2","0.4","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O Sn -","- C20 H24 N2 O Sn -","- C80 H96 N8 O4 Sn4 -","4","1","","Andrew P. Dove; Vernon C. Gibson; Edward L. Marshall; Henry S. Rzepa; Andrew J. P. White; David J. Williams","Synthetic, Structural, Mechanistic, and Computational Studies on Single-Site β-Diketiminate Tin(II) Initiators for the Polymerization of rac-Lactide","Journal of the American Chemical Society","2006","128","","9834","9843","10.1021/ja061400a","","","1.54178","CuKα","","0.0811","0.0574","","","0.1416","0.1585","","","","","","1.158","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110752","7.4946","0.001","15.424","0.002","20.758","0.004","90","","93.738","0.012","90","","2394.5","0.6","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl6 N3 Sn -","- C19 H17 Cl6 N3 Sn -","- C76 H68 Cl24 N12 Sn4 -","4","1","","Andrew P. Dove; Vernon C. Gibson; Edward L. Marshall; Henry S. Rzepa; Andrew J. P. White; David J. Williams","Synthetic, Structural, Mechanistic, and Computational Studies on Single-Site β-Diketiminate Tin(II) Initiators for the Polymerization of rac-Lactide","Journal of the American Chemical Society","2006","128","","9834","9843","10.1021/ja061400a","","","0.71073","MoKα","","0.0696","0.043","","0.1059","0.0921","","","","1.014","1.062","1.062","","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110753","11.7495","0.0019","9.8141","0.0018","16.5355","0.0019","90","","109.008","0.011","90","","1802.8","0.5","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H52 N2 O3 Sn -","- C35 H52 N2 O3 Sn -","- C70 H104 N4 O6 Sn2 -","2","1","","Andrew P. Dove; Vernon C. Gibson; Edward L. Marshall; Henry S. Rzepa; Andrew J. P. White; David J. Williams","Synthetic, Structural, Mechanistic, and Computational Studies on Single-Site β-Diketiminate Tin(II) Initiators for the Polymerization of rac-Lactide","Journal of the American Chemical Society","2006","128","","9834","9843","10.1021/ja061400a","","","0.71073","MoKα","","0.0455","0.0347","","","0.0728","0.0762","","","","","","1.009","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110754","14.9808","0.0008","10.7169","0.0004","27.4162","0.0017","90","","93.974","0.005","90","","4391","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H19 B F26 Si2 -","- C44 H19 B F26 Si2 -","- C176 H76 B4 F104 Si8 -","4","1","","Robin Panisch; Michael Bolte; Thomas Müller","Hydrogen- and Fluorine-Bridged Disilyl Cations and Their Use in Catalytic C-F Activation","Journal of the American Chemical Society","2006","128","","9676","9682","10.1021/ja061800y","","","0.71073","MoKα","","0.1416","0.0753","","","0.1143","0.1325","","","","","","1.06","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110755","10.352","0.001","13.8604","0.0013","15.6453","0.0015","85.862","0.008","85.879","0.008","74.786","0.007","2157.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H26 B F21 Si2 -","- C45 H26 B F21 Si2 -","- C90 H52 B2 F42 Si4 -","2","1","","Robin Panisch; Michael Bolte; Thomas Müller","Hydrogen- and Fluorine-Bridged Disilyl Cations and Their Use in Catalytic C-F Activation","Journal of the American Chemical Society","2006","128","","9676","9682","10.1021/ja061800y","","","0.71073","MoKα","","0.0493","0.0334","","","0.0812","0.0856","","","","","","0.914","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110756","6.1931","0.0009","20.977","0.003","23.49","0.003","90","","90","","90","","3051.6","0.7","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 O9 -","- C33 H42 O9 -","- C132 H168 O36 -","4","1","","Sang-Jin Jeon; Ethan L. Fisher; Patrick J. Carroll; Patrick J. Walsh","Direct, Stereospecific Generation of (Z)-Disubstituted Allylic Alcohols","Journal of the American Chemical Society","2006","128","","9618","9619","10.1021/ja061973n","","","0.71069","MoKα","","0.0855","0.0694","","","0.1821","0.194","","","","","","1.018","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110757","20.4678","0.0014","20.4678","0.0014","15.804","0.002","90","","90","","90","","6620.8","1.1","90","","90","","","","","","","","","5","I 41","I 4bw","80","","","","- C117 H46 N Sc3 Si2 -","- C117 H46 N Sc3 Si2 -","- C468 H184 N4 Sc12 Si8 -","4","0.5","","Takatsugu Wakahara; Yuko Iiduka; Ozora Ikenaga; Tsukasa Nakahodo; Akihiro Sakuraba; Takahiro Tsuchiya; Yutaka Maeda; Masahiro Kako; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Naomi Mizorogi; Shigeru Nagase","Characterization of the Bis-Silylated Endofullerene Sc3N@C80","Journal of the American Chemical Society","2006","128","","9919","9925","10.1021/ja062233h","","","0.71073","MoKα","","0.1501","0.1474","","","0.3787","0.3804","","","","","","1.11","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110758","6.21","0.003","11.183","0.005","19.13","0.008","90","","90.723","0.007","90","","1328.4","1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O5 -","- C13 H14 N2 O5 -","- C52 H56 N8 O20 -","4","1","","Xin Sha; T. Scott Isbell; Rakesh P. Patel; Cynthia S. Day; S. Bruce King","Hydrolysis of Acyloxy Nitroso Compounds Yields Nitroxyl (HNO)","Journal of the American Chemical Society","2006","128","","9687","9692","10.1021/ja062365a","","","0.71073","MoKα","","0.0795","0.0631","","","0.1649","0.1767","","","","","","1.042","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110759","7.1853","0.0003","7.6605","0.0003","15.4482","0.0006","82.336","0.003","80.555","0.003","70.735","0.003","788.95","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C20 H20 Cl12 Cu2 N4 -","2","1","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","","","0.71073","MoKα","","0.0438","0.0297","","","0.0637","0.0678","","","","","","0.978","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110760","7.3119","0.0004","7.7799","0.0004","15.497","0.0008","81.684","0.003","79.779","0.003","69.368","0.003","808.69","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C20 H20 Cl12 Cu2 N4 -","2","1","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","","","0.71073","MoKα","","0.0484","0.0302","","","0.0666","0.0722","","","","","","1.226","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110761","3.813149","0.000051","13.70256","0.00016","12.11849","0.00019","90","","92.3372","0.0011","90","","632.663","0.015","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(3-chloropyridine)copper(II) chloride","","","- C10 H8 Cl4 Cu N2 -","- C10 H8 Cl4 Cu N2 -","- C20 H16 Cl8 Cu2 N4 -","2","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","1.903","","","","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110762","7.30931","0.00017","7.77643","0.00018","15.49792","0.00037","81.6898","0.0014","79.7745","0.0016","69.3487","0.0015","807.99","0.03","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C20 H20 Cl12 Cu2 N4 -","2","1","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","powder diffraction","x-ray","1.17464","synchrotron","","","","","","","","","","1.111","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110763","7.407","0.004","7.703","0.004","15.506","0.008","82.644","0.01","79.837","0.01","68.888","0.009","810.4","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cl4 Cu N2 -","- C10 H10 Br2 Cl4 Cu N2 -","- C20 H20 Br4 Cl8 Cu2 N4 -","2","1","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","","","0.71073","MoKα","","0.0872","0.0571","","","0.1321","0.1428","","","","","","0.973","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110764","7.5702","0.0005","7.8282","0.0006","15.562","0.0011","82.064","0.004","78.89","0.004","67.093","0.004","831.54","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cl4 Cu N2 -","- C10 H10 Br2 Cl4 Cu N2 -","- C20 H20 Br4 Cl8 Cu2 N4 -","2","1","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","","","0.71073","MoKα","","0.1067","0.0557","","","0.138","0.1657","","","","","","0.994","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110765","3.88094","0.00028","13.8371","0.00092","12.16111","0.00084","90","","91.4741","0.0021","90","","652.85","0.08","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(3-bromopyridine)copper(II) chloride","","","- C10 H8 Br2 Cl2 Cu N2 -","- C10 H8 Br2 Cl2 Cu N2 -","- C20 H16 Br4 Cl4 Cu2 N4 -","2","0.5","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","2.176","","","","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110766","7.56821","0.00022","7.82283","0.00022","15.5551","0.00044","82.1012","0.0015","78.9087","0.0017","67.0878","0.0015","830.44","0.04","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cl4 Cu N2 -","- C10 H10 Br2 Cl4 Cu N2 -","- C20 H20 Br4 Cl8 Cu2 N4 -","2","1","","Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams","Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation","Journal of the American Chemical Society","2006","128","","9584","9585","10.1021/ja0625733","powder diffraction","x-ray","1.17464","synchrotron","","","","","","","","","","1.284","","","","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110767","11.537","0.005","12.043","0.005","20.903","0.005","84.786","0.005","75.757","0.005","69.666","0.005","2639.5","1.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","05052","","","- C36 H82 Ho2 Si8 -","- C36 H82 Ho2 Si8 -","- C72 H164 Ho4 Si16 -","2","1","","Rosemary E. White; Timothy P. Hanusa; Benjamin E. Kucera","Generation of Dimethylsilylene and Allylidene Holmium Complexes from Trimethylsilylated Allyl Ligands","Journal of the American Chemical Society","2006","128","","9622","9623","10.1021/ja062646i","","","0.71069","MoKα","","0.0439","0.0302","","","0.0747","0.0819","","","","","","1.019","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110768","10.576","0.0011","11.8757","0.0013","19.561","0.002","82.54","0.002","87.94","0.002","78.29","0.002","2385.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","05099","","","- C35 H76 Ho2 O2 Si6 -","- C35 H76 Ho2 O2 Si6 -","- C70 H152 Ho4 O4 Si12 -","2","1","","Rosemary E. White; Timothy P. Hanusa; Benjamin E. Kucera","Generation of Dimethylsilylene and Allylidene Holmium Complexes from Trimethylsilylated Allyl Ligands","Journal of the American Chemical Society","2006","128","","9622","9623","10.1021/ja062646i","","","0.71073","MoKα","","0.0589","0.0411","","","0.0838","0.089","","","","","","1.015","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110769","18.186","0.007","18.186","0.007","11.706","0.006","90","","90","","90","","3872","3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C8 H24.1 N2 Ni2.5 O15.55 -","- C8 H11 N2 Ni2.5 O14.285 -","- C64 H88 N16 Ni20 O114.28 -","8","1","","Ekaterina V. Anokhina; Yong Bok Go; Yongjae Lee; Thomas Vogt; Allan J. Jacobson","Chiral Three-Dimensional Microporous Nickel Aspartate with Extended Ni-O-Ni Bonding","Journal of the American Chemical Society","2006","128","","9957","9962","10.1021/ja062743b","","","0.9223","","","0.1062","0.084","","","0.2188","0.2413","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110770","18.826","0.0009","17.267","0.001","21.406","0.0012","90","","103.633","0.003","90","","6762.4","0.6","153","2","153","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H40 Fe O5 S4 -","- C102 H40 Fe O5 S4 -","- C408 H160 Fe4 O20 S16 -","4","1","","Yutaka Matsuo; Ayako Muramatsu; Yuko Kamikawa; Takashi Kato; Eiichi Nakamura","Synthesis and Structural, Electrochemical, and Stacking Properties of Conical Molecules Possessing Buckyferrocene on the Apex","Journal of the American Chemical Society","2006","128","","9586","9587","10.1021/ja062757h","","x-ray","0.71073","MoKα","","0.0938","0.0717","","","0.1976","0.2206","","","","","","1.043","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110771","17.499","0.005","18.68","0.005","21.896","0.005","64.78","0.005","88.629","0.005","73.641","0.005","6175","3","153","2","153","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","Fe_C60_C6H4OCOC6H3OR2_5_Cp","","- C168 H102 Fe O20 -","- C168 H102 Fe O20 -","- C336 H204 Fe2 O40 -","2","1","","Yutaka Matsuo; Ayako Muramatsu; Yuko Kamikawa; Takashi Kato; Eiichi Nakamura","Synthesis and Structural, Electrochemical, and Stacking Properties of Conical Molecules Possessing Buckyferrocene on the Apex","Journal of the American Chemical Society","2006","128","","9586","9587","10.1021/ja062757h","","x-ray","0.71069","MoKα","","0.1427","0.1139","","","0.329","0.3584","","","","","","1.421","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110772","12.5896","0.0011","19.4347","0.0018","13.3933","0.0012","90","","117.257","0.002","90","","2913.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 Br2 N2 Si -","- C29 H40 Br2 N2 Si -","- C116 H160 Br8 N8 Si4 -","4","1","","Matthias Driess; Shenglai Yao; Markus Brym; Christoph van Wüllen; Dieter Lentz","A New Type of N-Heterocyclic Silylene with Ambivalent Reactivity","Journal of the American Chemical Society","2006","128","","9628","9629","10.1021/ja062928i","","x-ray","0.71073","MoKα","","0.0274","0.0238","","","0.0637","0.0658","","","","","","1.025","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110773","18.183","0.003","20.6485","0.0017","21.68","0.003","90","","90","","90","","8139.8","1.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H59 F3 N2 O3 S Si2 -","- C38 H59 F3 N2 O3 S Si2 -","- C304 H472 F24 N16 O24 S8 Si16 -","8","1","","Matthias Driess; Shenglai Yao; Markus Brym; Christoph van Wüllen; Dieter Lentz","A New Type of N-Heterocyclic Silylene with Ambivalent Reactivity","Journal of the American Chemical Society","2006","128","","9628","9629","10.1021/ja062928i","","","0.71073","MoKα","","0.1042","0.0651","","","0.1069","0.1171","","","","","","1.098","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110774","12.583","0.002","16.238","0.003","13.717","0.002","90","","105.047","0.004","90","","2706.6","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 N2 Si -","- C29 H40 N2 Si -","- C116 H160 N8 Si4 -","4","1","","Matthias Driess; Shenglai Yao; Markus Brym; Christoph van Wüllen; Dieter Lentz","A New Type of N-Heterocyclic Silylene with Ambivalent Reactivity","Journal of the American Chemical Society","2006","128","","9628","9629","10.1021/ja062928i","","","0.71073","MoKα","","0.0498","0.0398","","","0.1064","0.1201","","","","","","1.068","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110775","5.3458","0.0011","15.312","0.003","18.622","0.004","90","","90","","90","","1524.3","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Haile Zhang; Maria Mifsud; Fujie Tanaka; Carlos F. Barbas","3-Pyrrolidinecarboxylic Acid for Direct Catalytic Asymmetricanti-Mannich-Type Reactions of Unmodified Ketones","Journal of the American Chemical Society","2006","128","","9630","9631","10.1021/ja062950b","","","0.71073","MoKα","","0.0653","0.0508","","","0.1226","0.1313","","","","","","1.042","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110776","8.593","0.0017","12.377","0.003","17.909","0.004","90","","90","","90","","1904.7","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C76 H108 N4 O16 -","4","1","","Haile Zhang; Maria Mifsud; Fujie Tanaka; Carlos F. Barbas","3-Pyrrolidinecarboxylic Acid for Direct Catalytic Asymmetricanti-Mannich-Type Reactions of Unmodified Ketones","Journal of the American Chemical Society","2006","128","","9630","9631","10.1021/ja062950b","","","0.71073","MoKα","","0.0626","0.0425","","","0.1002","0.1102","","","","","","1.035","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110777","10.0707","0.0016","8.8891","0.0015","14.166","0.002","90","","104.192","0.003","90","","1229.4","0.3","173","1","173","1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C25 H20 Cl F3 O3 P2 S -","- C25 H20 Cl F3 O3 P2 S -","- C50 H40 Cl2 F6 O6 P4 S2 -","2","1","","C. Adam Dyker; Neil Burford; Michael D. Lumsden; Andreas Decken","Acycliccatena-Diphosphinodiphosphonium Dications [R3P-PR'-PR'-PR3]2+ or Bisphosphine-Diphosphenium Complexes [R3P\ρightarrowPR'-PR'\λeftarrowPR3]2+: Synthesis by Reductive P-P Coupling of [R3P-PR'Cl]+ and Phosphine Ligand Exchange","Journal of the American Chemical Society","2006","128","","9632","9633","10.1021/ja062972y","","x-ray","0.71073","MoKα","","0.0311","0.0256","","","0.0602","0.063","","","","","","1.031","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110778","10.942","0.004","20.769","0.007","11.462","0.004","90","","113.12","0.006","90","","2395.6","1.5","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 F6 O6 P4 S2 -","- C50 H40 F6 O6 P4 S2 -","- C100 H80 F12 O12 P8 S4 -","2","0.5","","C. Adam Dyker; Neil Burford; Michael D. Lumsden; Andreas Decken","Acycliccatena-Diphosphinodiphosphonium Dications [R3P-PR'-PR'-PR3]2+ or Bisphosphine-Diphosphenium Complexes [R3P\ρightarrowPR'-PR'\λeftarrowPR3]2+: Synthesis by Reductive P-P Coupling of [R3P-PR'Cl]+ and Phosphine Ligand Exchange","Journal of the American Chemical Society","2006","128","","9632","9633","10.1021/ja062972y","","x-ray","0.71073","MoKα","","0.0635","0.0499","","","0.1378","0.145","","","","","","1.087","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110779","8.952","0.0014","16.597","0.003","10.0504","0.0016","90","","101.328","0.003","90","","1464.2","0.4","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 F6 O6 P4 S2 -","- C20 H28 F6 O6 P4 S2 -","- C40 H56 F12 O12 P8 S4 -","2","0.5","","C. Adam Dyker; Neil Burford; Michael D. Lumsden; Andreas Decken","Acycliccatena-Diphosphinodiphosphonium Dications [R3P-PR'-PR'-PR3]2+ or Bisphosphine-Diphosphenium Complexes [R3P\ρightarrowPR'-PR'\λeftarrowPR3]2+: Synthesis by Reductive P-P Coupling of [R3P-PR'Cl]+ and Phosphine Ligand Exchange","Journal of the American Chemical Society","2006","128","","9632","9633","10.1021/ja062972y","","x-ray","0.71073","MoKα","","0.0554","0.0479","","","0.1338","0.1393","","","","","","1.056","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4110780","6.1","0.01","7.63","0.01","10.25","0.01","87.63","0.07","78.95","0.06","77.9","0.07","457.8","1.1","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H4 Cl4 N4 S4 -","- C18 H4 Cl4 N4 S4 -","- C18 H4 Cl4 N4 S4 -","1","0.5","","Naraso; Jun-ichi Nishida; Daisuke Kumaki; Shizuo Tokito; Yoshiro Yamashita","High Performance n- and p-Type Field-Effect Transistors Based on Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2006","128","","9598","9599","10.1021/ja0630083","","","0.7107","MoKα","","","0.0841","","","","0.2184","","","","","","1.641","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110781","3.855","0.006","6.64","0.01","16.61","0.02","81.55","0.05","86.1","0.05","79.42","0.06","413","1","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H4 F4 N4 S4 -","- C18 H4 F4 N4 S4 -","- C18 H4 F4 N4 S4 -","1","0.5","","Naraso; Jun-ichi Nishida; Daisuke Kumaki; Shizuo Tokito; Yoshiro Yamashita","High Performance n- and p-Type Field-Effect Transistors Based on Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2006","128","","9598","9599","10.1021/ja0630083","","","0.7107","MoKα","","","0.055","","","","0.2132","","","","","","1.791","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110782","11.8533","0.0002","14.839","0.0002","22.509","0.0003","90","","90.652","0.001","90","","3958.88","0.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H69 O Si2 U -","- C39 H69 O Si2 U -","- C156 H276 O4 Si8 U4 -","4","1","","Owen T. Summerscales; F. Geoffrey N. Cloke; Peter B. Hitchcock; Jennifer C. Green; Nilay Hazari","Reductive Cyclotetramerization of CO to Squarate by a U(III) Complex: The X-ray Crystal Structure of [(U(η-C8H6{SiiPr3-1,4}2)(η-C5Me4H)]2(μ-η2:η2-C4O4)","Journal of the American Chemical Society","2006","128","","9602","9603","10.1021/ja063222r","","x-ray","0.71073","MoKα","","0.0534","0.0401","","","0.0858","0.0915","","","","","","1.102","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110783","10.9003","0.0005","13.6373","0.0007","15.7777","0.0006","68.152","0.003","74.018","0.003","73.408","0.002","2048.24","0.17","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C78 H132 O5 Si4 U2 -","- C77.992 H120.414 O5 Si4 U2 -","- C77.992 H120.414 O5 Si4 U2 -","1","0.5","","Owen T. Summerscales; F. Geoffrey N. Cloke; Peter B. Hitchcock; Jennifer C. Green; Nilay Hazari","Reductive Cyclotetramerization of CO to Squarate by a U(III) Complex: The X-ray Crystal Structure of [(U(η-C8H6{SiiPr3-1,4}2)(η-C5Me4H)]2(μ-η2:η2-C4O4)","Journal of the American Chemical Society","2006","128","","9602","9603","10.1021/ja063222r","","x-ray","0.71073","MoKα","","0.0727","0.0572","","","0.1332","0.1416","","","","","","1.042","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110784","15.2238","0.0012","15.2238","0.0012","26.683","0.003","90","","90","","120","","5355.6","0.8","100","2","100","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C21 H17 N1.33 -","- C21 H17 N1.33333 -","- C252 H204 N16 -","12","1","","P. S. Lakshminarayanan; D. Krishna Kumar; Pradyut Ghosh","Solid State Structural Evidence of Chloroform-Benzene-Chloroform Adduct Trapped in Hexaanthryl Octaaminocryptand Channels","Journal of the American Chemical Society","2006","128","","9600","9601","10.1021/ja063228g","","","0.71073","MoKα","","0.1593","0.1042","","","0.2738","0.3069","","","","","","1.031","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110785","15.5002","0.001","15.5002","0.001","25.94","0.004","90","","90","","120","","5397.3","1","100","2","100","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C22.33 H18.33 Cl N1.33 -","- C22.3333 H18.3333 Cl N1.33333 -","- C268 H220 Cl12 N16 -","12","1","","P. S. Lakshminarayanan; D. Krishna Kumar; Pradyut Ghosh","Solid State Structural Evidence of Chloroform-Benzene-Chloroform Adduct Trapped in Hexaanthryl Octaaminocryptand Channels","Journal of the American Chemical Society","2006","128","","9600","9601","10.1021/ja063228g","","","0.71073","MoKα","","0.1498","0.08","","","0.188","0.2333","","","","","","1.014","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110786","9.2811","0.0019","15.63","0.003","15.37","0.003","90","","98.85","0.03","90","","2203.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H41 O P2 Rh -","- C18 H41 O P2 Rh -","- C72 H164 O4 P8 Rh4 -","4","1","","Pinjing Zhao; Christopher D. Incarvito; John F. Hartwig","Carbon-Oxygen Bond Formation between a Terminal Alkoxo Ligand and a Coordinated Olefin. Evidence for Olefin Insertion into a Rhodium Alkoxide","Journal of the American Chemical Society","2006","128","","9642","9643","10.1021/ja063347w","","","0.71073","MoKα","","0.0457","0.0324","","","0.0802","0.0852","","","","","","1.008","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110787","21.865","0.016","19.796","0.015","20.37","0.015","90","","92.539","0.013","90","","8808","11","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H119 Fe4 N8 O18 P3 -","- C78 H119 Fe4 N8 O18 P3 -","- C312 H476 Fe16 N32 O72 P12 -","4","1","","Sanjit Konar; Nattamai Bhuvanesh; Abraham Clearfield","Oxo-, Hydroxo-, and Peroxo-Bridged Fe(III) Phosphonate Cages","Journal of the American Chemical Society","2006","128","","9604","9605","10.1021/ja063388s","","","0.71073","MoKα","","0.1197","0.1045","","","0.3175","0.3506","","","","","","1.61","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110788","20.124","0.002","19.056","0.002","25.201","0.003","90","","96.567","0.002","90","","9600.7","1.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99 H106 Fe4 N7 O18 P3 -","- C99 H106 Fe4 N7 O18 P3 -","- C396 H424 Fe16 N28 O72 P12 -","4","1","","Sanjit Konar; Nattamai Bhuvanesh; Abraham Clearfield","Oxo-, Hydroxo-, and Peroxo-Bridged Fe(III) Phosphonate Cages","Journal of the American Chemical Society","2006","128","","9604","9605","10.1021/ja063388s","","","0.71073","MoKα","","0.1559","0.0999","","","0.2741","0.3377","","","","","","1.174","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110789","16.034","0.002","28.485","0.004","27.23","0.004","90","","90.902","0.002","90","","12435","3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C85 H168 Fe9 O39 P3 -","- C95 H168 Fe9 O39 P3 -","- C380 H672 Fe36 O156 P12 -","4","1","","Sanjit Konar; Nattamai Bhuvanesh; Abraham Clearfield","Oxo-, Hydroxo-, and Peroxo-Bridged Fe(III) Phosphonate Cages","Journal of the American Chemical Society","2006","128","","9604","9605","10.1021/ja063388s","","","0.71073","MoKα","","0.0931","0.0706","","","0.1893","0.2201","","","","","","1.066","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110790","17.242","0.003","17.966","0.003","31.315","0.005","88.324","0.003","75.316","0.003","86.238","0.003","9363","3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C146 H177 Fe9 N8 O47 P6 -","- C146 H177 Fe9 N8 O47 P6 -","- C292 H354 Fe18 N16 O94 P12 -","2","1","","Sanjit Konar; Nattamai Bhuvanesh; Abraham Clearfield","Oxo-, Hydroxo-, and Peroxo-Bridged Fe(III) Phosphonate Cages","Journal of the American Chemical Society","2006","128","","9604","9605","10.1021/ja063388s","","","0.71073","MoKα","","0.1482","0.1193","","","0.347","0.3805","","","","","","1.514","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110791","16.0253","0.0018","23.845","0.003","24.665","0.003","90","","100.269","0.002","90","","9274.1","1.9","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65.1 H113.65 Fe6 N2.55 O28 P2 -","- C65.1 H113.65 Fe6 N2.55 O28 P2 -","- C260.4 H454.6 Fe24 N10.2 O112 P8 -","4","1","","Sanjit Konar; Nattamai Bhuvanesh; Abraham Clearfield","Oxo-, Hydroxo-, and Peroxo-Bridged Fe(III) Phosphonate Cages","Journal of the American Chemical Society","2006","128","","9604","9605","10.1021/ja063388s","","","0.71073","MoKα","","0.1401","0.0854","","","0.2344","0.2968","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110792","16.1885","0.001","17.2338","0.001","18.3734","0.0011","90","","90","","90","","5126","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H62 Mn N8 O5 U -","- C56 H62 Mn N8 O5 U -","- C224 H248 Mn4 N32 O20 U4 -","4","1","","Polly L. Arnold; Dipti Patel; Alexander J. Blake; Claire Wilson; Jason B. Love","Selective Oxo Functionalization of the Uranyl Ion with 3d Metal Cations","Journal of the American Chemical Society","2006","128","","9610","9611","10.1021/ja0634167","","","0.71073","MoKα","","0.0391","0.0335","","","0.0795","0.0833","","","","","","1.026","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110793","13.7156","0.0016","13.8208","0.0016","24.136","0.003","90","","90","","90","","4575.2","0.9","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H56 Co N8 O5 U -","- C50 H56 Co N8 O5 U -","- C200 H224 Co4 N32 O20 U4 -","4","1","","Polly L. Arnold; Dipti Patel; Alexander J. Blake; Claire Wilson; Jason B. Love","Selective Oxo Functionalization of the Uranyl Ion with 3d Metal Cations","Journal of the American Chemical Society","2006","128","","9610","9611","10.1021/ja0634167","","","0.71073","MoKα","","0.0565","0.0475","","","0.0951","0.0983","","","","","","1.16","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110794","16.0647","0.0012","13.1124","0.001","16.9283","0.0013","90","","116.825","0.002","90","","3182.2","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H52 N2 O4 Si4 U -","- C20 H52 N2 O4 Si4 U -","- C80 H208 N8 O16 Si16 U4 -","4","0.5","","Polly L. Arnold; Dipti Patel; Alexander J. Blake; Claire Wilson; Jason B. Love","Selective Oxo Functionalization of the Uranyl Ion with 3d Metal Cations","Journal of the American Chemical Society","2006","128","","9610","9611","10.1021/ja0634167","","","0.71073","MoKα","","0.0299","0.027","","","0.0754","0.0774","","","","","","1.057","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110795","12.352","0.005","10.816","0.005","12.959","0.005","90","","115.46","0.03","90","","1563.2","1.2","93.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H4 Br F9 O4 S2 -","- C10 Br F9 O4 S2 -","- C40 Br4 F36 O16 S8 -","4","1","","Masahito Ochiai; Norihiro Tada; Kentaro Murai; Satoru Goto; Motoo Shiro","Synthesis and Characterization of Bromonium Ylides and Their Unusual Ligand Transfer Reactions with N-Heterocycles","Journal of the American Chemical Society","2006","128","","9608","9609","10.1021/ja063492+","","","0.7107","MoKα","","","0.063","","","","0.203","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110796","16.4499","0.0012","10.4918","0.0007","16.6856","0.0012","90","","99.204","0.005","90","","2842.7","0.3","93.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H9 Br F21 N O4 S2 -","- C21 H9 Br F21 N O4 S2 -","- C84 H36 Br4 F84 N4 O16 S8 -","4","1","","Masahito Ochiai; Norihiro Tada; Kentaro Murai; Satoru Goto; Motoo Shiro","Synthesis and Characterization of Bromonium Ylides and Their Unusual Ligand Transfer Reactions with N-Heterocycles","Journal of the American Chemical Society","2006","128","","9608","9609","10.1021/ja063492+","","","1.54187","CuKα","","","0.065","","","","0.2136","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110797","7.1604","0.001","10.2756","0.0014","11.7586","0.0017","90","","101.268","0.003","90","","848.5","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Br N2 O -","- C7 H10 Br N O2 -","- C28 H40 Br4 N4 O8 -","4","1","","Ying-Yeung Yeung; Xuri Gao; E. J. Corey","A General Process for the Haloamidation of Olefins. Scope and Mechanism","Journal of the American Chemical Society","2006","128","","9644","9645","10.1021/ja063675w","","","0.71073","MoKα","","0.033","0.0267","","","0.075","0.0778","","","","","","1.196","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110798","8.209","0.003","10.253","0.004","12.101","0.005","90","","90","","90","","1018.5","0.7","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 Br N O3 -","- C9 H12 Br N O3 -","- C36 H48 Br4 N4 O12 -","4","1","","Ying-Yeung Yeung; Xuri Gao; E. J. Corey","A General Process for the Haloamidation of Olefins. Scope and Mechanism","Journal of the American Chemical Society","2006","128","","9644","9645","10.1021/ja063675w","","","0.71073","MoKα","","0.0168","0.0164","","","0.0412","0.0415","","","","","","0.549","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110799","6.5041","0.0018","6.5732","0.0018","11.938","0.003","90","","98.567","0.003","90","","504.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl3 H12 O6 Sc -","- Cl3 H12 O6 Sc -","- Cl6 H24 O12 Sc2 -","2","0.5","","Aaron J. Rossini; Robert W. Schurko","Experimental and Theoretical Studies of 45Sc NMR Interactions in Solids","Journal of the American Chemical Society","2006","128","","10391","10402","10.1021/ja060477w","","","0.71073","MoKα","","0.0326","0.0306","","","0.0684","0.0691","","","","","","1.315","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110800","8.075","0.005","8.821","0.005","9.267","0.005","84.179","0.005","70.033","0.005","66.679","0.005","569.3","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- H10 N3 O14 Sc -","- H10 N3 O14 Sc -","- H20 N6 O28 Sc2 -","2","1","","Aaron J. Rossini; Robert W. Schurko","Experimental and Theoretical Studies of 45Sc NMR Interactions in Solids","Journal of the American Chemical Society","2006","128","","10391","10402","10.1021/ja060477w","","","0.71073","MoKα","","0.0495","0.0405","","","0.0929","0.0986","","","","","","1.149","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110801","20.171","0.003","17.38","0.002","23.304","0.003","90","","112.714","0.002","90","","7536.1","1.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H57 O6 Sc -","- C33 H57 O6 Sc -","- C264 H456 O48 Sc8 -","8","1","","Aaron J. Rossini; Robert W. Schurko","Experimental and Theoretical Studies of 45Sc NMR Interactions in Solids","Journal of the American Chemical Society","2006","128","","10391","10402","10.1021/ja060477w","","","0.71073","MoKα","","0.1668","0.0972","","","0.2028","0.2442","","","","","","1.094","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110802","7.0249","0.0007","7.0249","0.0007","19.936","0.002","90","","90","","90","","983.83","0.17","150","2","150","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C14 H12 N2 O12 Zn2 -","- C14 H4 N2 O12 Zn2 -","- C28 H8 N4 O24 Zn4 -","2","0.25","","Xiang Lin; Alexander J. Blake; Claire Wilson; Xue Zhong Sun; Neil R. Champness; Michael W. George; Peter Hubberstey; Robert Mokaya; Martin Schröder","A Porous Framework Polymer Based on a Zinc(II) 4,4'-Bipyridine-2,6,2',6'-tetracarboxylate: Synthesis, Structure, and ""Zeolite-Like"" Behaviors","Journal of the American Chemical Society","2006","128","","10745","10753","10.1021/ja060946u","","","0.71073","MoKα","","0.0488","0.0452","","","0.124","0.127","","","","","","1.09","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110803","7.0649","0.0004","7.0649","0.0004","19.775","0.002","90","","90","","90","","987.03","0.13","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C14 H4 N2 O8 Zn2 -","- C14 H4 N2 O8 Zn2 -","- C28 H8 N4 O16 Zn4 -","2","0.125","","Xiang Lin; Alexander J. Blake; Claire Wilson; Xue Zhong Sun; Neil R. Champness; Michael W. George; Peter Hubberstey; Robert Mokaya; Martin Schröder","A Porous Framework Polymer Based on a Zinc(II) 4,4'-Bipyridine-2,6,2',6'-tetracarboxylate: Synthesis, Structure, and ""Zeolite-Like"" Behaviors","Journal of the American Chemical Society","2006","128","","10745","10753","10.1021/ja060946u","","","0.71073","MoKα","","0.0788","0.0592","","","0.141","0.1477","","","","","","0.929","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110804","9.6484","0.0001","14.1349","0.0002","12.7697","0.0002","90","","103.026","0.0009","90","","1696.71","0.04","160","1","160","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H40 Cl2 F6 P Rh -","- C37 H40 Cl2 F6 P Rh -","- C74 H80 Cl4 F12 P2 Rh2 -","2","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0541","0.0422","","","0.0921","0.0984","","","","","","1.023","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110805","9.6522","0.0001","14.1639","0.0002","12.707","0.0001","90","","103.059","0.0007","90","","1692.29","0.03","160","1","160","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H40 Cl2 F6 Ir P -","- C37 H40 Cl2 F6 Ir P -","- C74 H80 Cl4 F12 Ir2 P2 -","2","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0262","0.024","","","0.0568","0.058","","","","","","1.037","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110806","9.8754","0.0001","18.5374","0.0003","14.7211","0.0002","90","","101.346","0.001","90","","2642.24","0.06","160","1","160","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H37.5 Cl F6 O0.25 P Rh -","- C22 H34 F6 P Rh -","- C88 H136 F24 P4 Rh4 -","4","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0554","0.042","","","0.1058","0.1119","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110807","8.8636","0.0001","14.9903","0.0001","26.5034","0.0002","94.3902","0.0003","97.3662","0.0003","98.6514","0.0003","3436.12","0.05","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 F6 Ir P -","- C22 H34 F6 Ir P -","- C132 H204 F36 Ir6 P6 -","6","3","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0493","0.039","","","0.0982","0.1051","","","","","","1.022","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110808","12.2377","0.0006","12.2629","0.0006","12.6562","0.0007","63.488","0.002","64.546","0.003","75.837","0.003","1531.32","0.14","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H40 Cl2 F6 P Rh -","- C31 H40 Cl2 F6 P Rh -","- C62 H80 Cl4 F12 P2 Rh2 -","2","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0774","0.0563","","","0.1242","0.135","","","","","","1.077","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110809","11.8311","0.0002","12.0968","0.0002","12.5093","0.0002","110.005","0.001","95.7554","0.0009","111.352","0.001","1514.23","0.05","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H40 Cl2 F6 Ir P -","- C31 H40 Cl2 F6 Ir P -","- C62 H80 Cl4 F12 Ir2 P2 -","2","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0501","0.0375","","","0.0827","0.0883","","","","","","1.022","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110810","9.9737","0.0001","13.6985","0.0001","18.8142","0.0002","90","","104.717","0.0005","90","","2486.16","0.04","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 F6 P Rh -","- C26 H36 F6 P Rh -","- C104 H144 F24 P4 Rh4 -","4","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0412","0.0331","","","0.0779","0.0826","","","","","","1.071","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110811","12.815","0.0002","24.0057","0.0003","13.1883","0.0001","90","","112.767","0.0007","90","","3741.04","0.08","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 Cl2 F6 P2 Rh -","- C38 H47 Cl2 F6 P2 Rh -","- C152 H188 Cl8 F24 P8 Rh4 -","4","1","","Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta","d8 Rhodium and Iridium Complexes of Corannulene","Journal of the American Chemical Society","2006","128","","10644","10645","10.1021/ja062110x","","","0.71073","MoKα","","0.0762","0.0482","","","0.1172","0.1325","","","","","","1.046","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110812","10.0579","0.0016","17.848","0.003","22.642","0.004","90","","92.781","0.002","90","","4059.8","1.2","135","2","135","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Eu N9 O14 -","- C36 H44 Eu N9 O14 -","- C144 H176 Eu4 N36 O56 -","4","1","","Evan G. Moore; Jide Xu; Christoph J. Jocher; Eric J. Werner; Kenneth N. Raymond","""Cymothoe sangaris"": An Extremely Stable and Highly Luminescent 1,2-Hydroxypyridinonate Chelate of Eu(III)","Journal of the American Chemical Society","2006","128","","10648","10649","10.1021/ja062597+","","","0.71073","MoKα","","0.0412","0.0342","","","0.0766","0.0788","","","","","","1.13","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110813","17.896","0.002","19.084","0.003","17.98","0.002","90","","113.337","0.002","90","","5638.3","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H57 Co N2 O5 U -","- C46 H56 Co N2 O5 U -","- C184 H224 Co4 N8 O20 U4 -","4","1","","Anthony E. Vaughn; Daniel B. Bassil; Charles L. Barnes; Sheryl A. Tucker; Paul B. Duval","Contrasting Solvent and Capping Ligand Effects Directing the Photochemistry of Uranyl(VI) Schiff Base Complexes","Journal of the American Chemical Society","2006","128","","10656","10657","10.1021/ja062735v","","","0.71073","MoKα","","0.0862","0.046","","","0.1092","0.1228","","","","","","0.95","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110814","11.884","0.003","5.237","0.001","7.808","0.002","90","","90","","90","","485.9","0.2","","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","bismuth copper oxide vanado-phosphate","","","- Bi Cu2 O6 P0.32 V0.68 -","- Bi Cu2 O6 P0.679 V0.321 -","- Bi4 Cu8 O24 P2.716 V1.284 -","4","0.5","","Olivier Mentré; El Mostafa Ketatni; Marie Colmont; Marielle Huvé; Francis Abraham; Vaclav Petricek","Structural Features of the Modulated BiCu2(P1-xVx)O6 Solid Solution; 4-D Treatment of x=0.87 Compound and Magnetic Spin-Gap to Gapless Transition in New Cu2+ Two-Leg Ladder Systems","Journal of the American Chemical Society","2006","128","","10857","10867","10.1021/ja0631091","","","0.71073","MoKα","","0.0315","0.0266","","","0.0251","0.0257","","","","1.98","1.98","1.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110815","11.9736","0.0002","5.28702","0.00008","7.80964","0.00014","90","","90","","90","","494.387","0.014","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","bismuth copper oxide vanado-phosphate","","","- Bi Cu2 O6 P0.4 V0.6 -","- Bi Cu2 O6 P0.4 V0.6 -","- Bi4 Cu8 O24 P1.6 V2.4 -","4","0.5","","Olivier Mentré; El Mostafa Ketatni; Marie Colmont; Marielle Huvé; Francis Abraham; Vaclav Petricek","Structural Features of the Modulated BiCu2(P1-xVx)O6 Solid Solution; 4-D Treatment of x=0.87 Compound and Magnetic Spin-Gap to Gapless Transition in New Cu2+ Two-Leg Ladder Systems","Journal of the American Chemical Society","2006","128","","10857","10867","10.1021/ja0631091","powder diffraction","neutron","1.909","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.8946","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110816","7.745","0.003","16.065","0.006","7.513","0.003","90","","116.825","0.005","90","","834.2","0.6","193","2","193","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Cp*V(B3H8)2","Bis(octahydrotriborato)(pentamethycyclopentadienyl)vanadium(III)","","- C10 H31 B6 V -","- C10 H31 B6 V -","- C20 H62 B12 V2 -","2","0.25","","Do Young Kim; Gregory S. Girolami","Synthesis and Characterization of the Octahydrotriborate Complexes Cp*V(B3H8)2 and Cp*Cr(B3H8)2 and the Unusual Cobaltaborane Cluster Cp*2Co2(B6H14)","Journal of the American Chemical Society","2006","128","","10969","10977","10.1021/ja063285+","","","0.71073","MoKα","","0.0989","0.0697","","","0.1803","0.191","","","","","","1.115","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110817","15.517","0.003","15.489","0.003","14.462","0.003","90","","90","","90","","3475.8","1.2","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Cp*Cr(B3H8)2","Bis(octahydrotriborato)(pentamethylcyclopentadienyl)chromium(III)","","- C10 H31 B6 Cr -","- C10 H31 B6 Cr -","- C80 H248 B48 Cr8 -","8","1","","Do Young Kim; Gregory S. Girolami","Synthesis and Characterization of the Octahydrotriborate Complexes Cp*V(B3H8)2 and Cp*Cr(B3H8)2 and the Unusual Cobaltaborane Cluster Cp*2Co2(B6H14)","Journal of the American Chemical Society","2006","128","","10969","10977","10.1021/ja063285+","","x-ray","0.71073","MoKα","","0.0693","0.0351","","","0.0809","0.0888","","","","","","0.911","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110818","8.706","0.001","8.706","0.001","32.496","0.007","90","","90","","90","","2463","0.7","193","2","193","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Cp*2Co2(B6H14)","(Tetradecahydrohexaborato)bis(pentamethylcyclopentadienyl)dicobalt","","- C20 H44 B6 Co2 -","- C20 H44 B6 Co2 -","- C80 H176 B24 Co8 -","4","0.5","","Do Young Kim; Gregory S. Girolami","Synthesis and Characterization of the Octahydrotriborate Complexes Cp*V(B3H8)2 and Cp*Cr(B3H8)2 and the Unusual Cobaltaborane Cluster Cp*2Co2(B6H14)","Journal of the American Chemical Society","2006","128","","10969","10977","10.1021/ja063285+","","x-ray","0.71073","MoKα","","0.0661","0.0358","","","0.0575","0.0628","","","","","","0.911","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110819","8.998","0.002","11.701","0.003","11.971","0.003","109.562","0.004","91.892","0.004","92.495","0.004","1185","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","Cp*2Mo2B5H9","(Nonahydropentaborato)bis(pentamethylcyclorpentadienyl)dimolybdenum","","- C20 H39 B5 Mo2 -","- C20 H39 B5 Mo2 -","- C40 H78 B10 Mo4 -","2","1","","Do Young Kim; Gregory S. Girolami","Synthesis and Characterization of the Octahydrotriborate Complexes Cp*V(B3H8)2 and Cp*Cr(B3H8)2 and the Unusual Cobaltaborane Cluster Cp*2Co2(B6H14)","Journal of the American Chemical Society","2006","128","","10969","10977","10.1021/ja063285+","","x-ray","0.71073","MoKα","","0.0652","0.0357","","","0.0748","0.0806","","","","","","0.984","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110820","10.95","0.0002","10.992","0.0002","16.393","0.0004","71.5","0.001","71.165","0.001","71.625","0.001","1720.45","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 B2 F8 N6 Ni -","- C30 H36 B2 F8 N6 Ni -","- C60 H72 B4 F16 N12 Ni2 -","2","1","","Randolf Dag Köhn; Matthias Haufe; Gabriele Kociok-Köhn","Observation of Intramolecular Paramagnetic T1 Spin Decoupling in the 13C NMR Spectra of Triazacyclohexane Complexes of Ni(II)","Journal of the American Chemical Society","2006","128","","10682","10683","10.1021/ja063357x","","","0.71073","MoKα","","0.0695","0.0433","","","0.0998","0.1107","","","","","","1.023","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110821","10.8","0.0001","11.764","0.0001","14.749","0.0002","105.698","0.001","91.382","0.001","100.045","0.001","1771.3","0.03","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H33 B2 F11 N6 Ni -","- C30 H33 B2 F11 N6 Ni -","- C60 H66 B4 F22 N12 Ni2 -","2","1","","Randolf Dag Köhn; Matthias Haufe; Gabriele Kociok-Köhn","Observation of Intramolecular Paramagnetic T1 Spin Decoupling in the 13C NMR Spectra of Triazacyclohexane Complexes of Ni(II)","Journal of the American Chemical Society","2006","128","","10682","10683","10.1021/ja063357x","","","0.71073","MoKα","","0.0461","0.0392","","","0.1011","0.1055","","","","","","1.029","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110822","10.738","0.0002","11.746","0.0002","14.658","0.0002","105.623","0.0006","91.182","0.0006","100.063","0.0005","1748.63","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H33 B2 F11 N6 Zn -","- C30 H33 B2 F11 N6 Zn -","- C60 H66 B4 F22 N12 Zn2 -","2","1","","Randolf Dag Köhn; Matthias Haufe; Gabriele Kociok-Köhn","Observation of Intramolecular Paramagnetic T1 Spin Decoupling in the 13C NMR Spectra of Triazacyclohexane Complexes of Ni(II)","Journal of the American Chemical Society","2006","128","","10682","10683","10.1021/ja063357x","","","0.71073","MoKα","","0.0499","0.0405","","","0.1","0.1057","","","","","","1.03","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110823","5.137","0.005","13.604","0.003","16.472","0.002","90","","90","","90","","1151.1","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 B2 N2 -","- C14 H12 B2 N2 -","- C56 H48 B8 N8 -","4","1","","Cory A. Jaska; David J. H. Emslie; Michael J. D. Bosdet; Warren E. Piers; Ted S. Sorensen; Masood Parvez","Triphenylene Analogues with B2N2C2 Cores: Synthesis, Structure, Redox Behavior, and Photophysical Properties","Journal of the American Chemical Society","2006","128","","10885","10896","10.1021/ja063519p","","","0.71073","MoKα","","0.1446","0.0499","","","0.1019","0.1338","","","","","","0.946","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110824","9.889","0.003","13.432","0.003","13.471","0.005","90","","92.972","0.016","90","","1786.9","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 B2 N2 -","- C20 H24 B2 N2 -","- C80 H96 B8 N8 -","4","1","","Cory A. Jaska; David J. H. Emslie; Michael J. D. Bosdet; Warren E. Piers; Ted S. Sorensen; Masood Parvez","Triphenylene Analogues with B2N2C2 Cores: Synthesis, Structure, Redox Behavior, and Photophysical Properties","Journal of the American Chemical Society","2006","128","","10885","10896","10.1021/ja063519p","","","0.71073","MoKα","","0.0783","0.0511","","","0.1296","0.1481","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110825","10.152","0.003","13.871","0.004","17.069","0.006","103.001","0.018","97.733","0.016","90.595","0.018","2318.7","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 B2 N2 -","- C28 H28 B2 N2 -","- C112 H112 B8 N8 -","4","2","","Cory A. Jaska; David J. H. Emslie; Michael J. D. Bosdet; Warren E. Piers; Ted S. Sorensen; Masood Parvez","Triphenylene Analogues with B2N2C2 Cores: Synthesis, Structure, Redox Behavior, and Photophysical Properties","Journal of the American Chemical Society","2006","128","","10885","10896","10.1021/ja063519p","","","0.71073","MoKα","","0.0999","0.0553","","","0.1288","0.1546","","","","","","1.014","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110826","12.791","0.006","15.424","0.005","20.935","0.009","90","","104.071","0.018","90","","4006","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H62 B2 Co N2 O -","- C44 H62 B2 Co N2 O -","- C176 H248 B8 Co4 N8 O4 -","4","1","","Cory A. Jaska; David J. H. Emslie; Michael J. D. Bosdet; Warren E. Piers; Ted S. Sorensen; Masood Parvez","Triphenylene Analogues with B2N2C2 Cores: Synthesis, Structure, Redox Behavior, and Photophysical Properties","Journal of the American Chemical Society","2006","128","","10885","10896","10.1021/ja063519p","","","0.71073","MoKα","","0.1054","0.0546","","","0.1289","0.1552","","","","","","1.036","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110827","8.5077","0.0001","10.2834","0.0001","26.4617","0.0003","90","","90","","90","","2315.08","0.04","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Br N3 O7 -","- C25 H18 Br N3 O7 -","- C100 H72 Br4 N12 O28 -","4","1","","Jong Uk Rhee; Michael J. Krische","Highly Enantioselective Reductive Cyclization of Acetylenic Aldehydes via Rhodium Catalyzed Asymmetric Hydrogenation","Journal of the American Chemical Society","2006","128","","10674","10675","10.1021/ja0637954","","","0.7107","MoKα","","0.0429","0.0301","","","0.0619","0.0675","","","","","","1.055","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110828","5.9234","0.0001","16.2878","0.0003","21.0361","0.0004","90","","90","","90","","2029.55","0.06","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O4 S -","- C21 H22 Br N O4 S -","- C84 H88 Br4 N4 O16 S4 -","4","1","","Jong Uk Rhee; Michael J. Krische","Highly Enantioselective Reductive Cyclization of Acetylenic Aldehydes via Rhodium Catalyzed Asymmetric Hydrogenation","Journal of the American Chemical Society","2006","128","","10674","10675","10.1021/ja0637954","","","0.71073","MoKα","","0.0539","0.0344","","","0.0611","0.0673","","","","","","1.015","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110829","12.4523","0.0008","14.1355","0.0009","15.1817","0.0016","101.742","0.004","92.033","0.004","115.88","0.003","2330.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H62 Hf2 N4 O2 -","- C50 H62 Hf2 N4 O2 -","- C100 H124 Hf4 N8 O4 -","2","1","","Wesley H. Bernskoetter; Andrea V. Olmos; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","N-C Bond Formation Promoted by a Hafnocene Dinitrogen Complex: Comparison of Zirconium and Hafnium Congeners","Journal of the American Chemical Society","2006","128","","10696","10697","10.1021/ja064163k","","","0.71073","MoKα","","0.0377","0.025","","","0.0547","0.0566","","","","","","1.024","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110830","22.6159","0.0016","22.4276","0.0015","10.8063","0.0007","90","","96.829","0.002","90","","5442.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H67 Hf2 N5 O3 -","- C57 H67 Hf2 N5 O3 -","- C228 H268 Hf8 N20 O12 -","4","1","","Wesley H. Bernskoetter; Andrea V. Olmos; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","N-C Bond Formation Promoted by a Hafnocene Dinitrogen Complex: Comparison of Zirconium and Hafnium Congeners","Journal of the American Chemical Society","2006","128","","10696","10697","10.1021/ja064163k","","","0.71073","MoKα","","0.0536","0.0363","","","0.0891","0.0924","","","","","","1.042","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110831","24.108","0.014","24.108","0.014","7.745","0.005","90","","90","","120","","3898","4","133","2","133","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H15 B3 F9 N3 O3 -","- C27 H15 B3 F9 N3 O3 -","- C162 H90 B18 F54 N18 O18 -","6","0.333333","","Justin A. Riddle; Stephen P. Lathrop; John C. Bollinger; Dongwhan Lee","Schiff Base Route to Stackable Pseudo-Triphenylenes: Stereoelectronic Control of Assembly and Luminescence","Journal of the American Chemical Society","2006","128","","10986","10987","10.1021/ja061307m","","","0.71073","MoKα","","0.0835","0.0447","","","0.1008","0.1307","","","","","","1.026","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110832","7.907","0.006","14.917","0.012","15.106","0.012","65.716","0.019","89.06","0.02","81.01","0.02","1602","2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H25 B3 Cl3 F6 N3 O3 -","- C31 H25 B3 Cl3 F6 N3 O3 -","- C62 H50 B6 Cl6 F12 N6 O6 -","2","1","","Justin A. Riddle; Stephen P. Lathrop; John C. Bollinger; Dongwhan Lee","Schiff Base Route to Stackable Pseudo-Triphenylenes: Stereoelectronic Control of Assembly and Luminescence","Journal of the American Chemical Society","2006","128","","10986","10987","10.1021/ja061307m","","","0.71073","MoKα","","0.0937","0.0544","","","0.138","0.166","","","","","","1.035","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110833","16.275","0.003","15.49","0.003","20.967","0.005","90","","98.223","0.016","90","","5231.4","1.9","122","2","122","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53.3 H67.2 B3 F6 N3 O3 -","- C53.296 H67.215 B3 F6 N3 O3 -","- C213.184 H268.86 B12 F24 N12 O12 -","4","1","","Justin A. Riddle; Stephen P. Lathrop; John C. Bollinger; Dongwhan Lee","Schiff Base Route to Stackable Pseudo-Triphenylenes: Stereoelectronic Control of Assembly and Luminescence","Journal of the American Chemical Society","2006","128","","10986","10987","10.1021/ja061307m","","","0.71073","MoKα","","0.1333","0.1032","","","0.1684","0.1779","","","","","","1.178","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110834","11.0874","0.001","11.4719","0.0011","21.576","0.002","91.925","0.002","101.719","0.002","116.07","0.001","2390.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ir4(CO)8{mu-kappa2-PPh2(o-C6H4)PPh}{mu3-PPh2(eta1:eta2-o-C6H4)}","","- C50 H33 Ir4 O8 P3 -","- C50 H33 Ir4 O8 P3 -","- C100 H66 Ir8 O16 P6 -","2","1","","Bo Keun Park; Gaehang Lee; Kyoung Hoon Kim; Hongkyu Kang; Chang Yeon Lee; Md. Arzu Miah; Jaehoon Jung; Young-Kyu Han; Joon T. Park","Synthetic, Electrochemical, and Theoretical Studies of Tetrairidium Clusters Bearing Mono- and Bis[60]fullerene Ligands","Journal of the American Chemical Society","2006","128","","11160","11172","10.1021/ja0616027","","","0.71073","MoKα","","0.0758","0.0576","","","0.1476","0.1562","","","","","","1.044","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110835","17.472","0.005","20.071","0.006","22.639","0.006","90","","100.739","0.005","90","","7800","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ir4(CO)6{mu3-kappa3-PPh2(o-C6H4)P(o-C6H4)PPh(eta1-o-C6H4)} (mu3-eta2:eta2:eta2-C60)","","- C106 H27 Ir4 O6 P3 S8 -","- C106 H27 Ir4 O6 P3 S8 -","- C424 H108 Ir16 O24 P12 S32 -","4","1","","Bo Keun Park; Gaehang Lee; Kyoung Hoon Kim; Hongkyu Kang; Chang Yeon Lee; Md. Arzu Miah; Jaehoon Jung; Young-Kyu Han; Joon T. Park","Synthetic, Electrochemical, and Theoretical Studies of Tetrairidium Clusters Bearing Mono- and Bis[60]fullerene Ligands","Journal of the American Chemical Society","2006","128","","11160","11172","10.1021/ja0616027","","","0.71073","MoKα","","0.0715","0.0422","","","0.0859","0.0934","","","","","","0.953","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110836","18.139","0.002","24.386","0.003","22.478","0.003","90","","110.283","0.002","90","","9326","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Ir4(CO)3(mu4-CH)(PMe3)2(mu-PMe2)(CNCH2Ph) (mu-eta2:eta2-C60)(mu4-eta1:eta1:eta2:eta2-C60)","","- C147.75 H36 Cl2 Ir4 N O3 P3 S3.5 -","- C147.75 H36 Cl2 Ir4 N O3 P3 S3.5 -","- C591 H144 Cl8 Ir16 N4 O12 P12 S14 -","4","1","","Bo Keun Park; Gaehang Lee; Kyoung Hoon Kim; Hongkyu Kang; Chang Yeon Lee; Md. Arzu Miah; Jaehoon Jung; Young-Kyu Han; Joon T. Park","Synthetic, Electrochemical, and Theoretical Studies of Tetrairidium Clusters Bearing Mono- and Bis[60]fullerene Ligands","Journal of the American Chemical Society","2006","128","","11160","11172","10.1021/ja0616027","","","0.71073","MoKα","","0.1427","0.0646","","","0.1528","0.1956","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110837","12.9731","0.001","16.0397","0.001","26.426","0.001","90","","93.196","0.01","90","","5490.3","0.6","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C101 H144 N20 O18 S5 -","- C101 H144 N20 O18 S5 -","- C202 H288 N40 O36 S10 -","2","1","","Zaida Rodriguez-Docampo; Sofia I. Pascu; Stefan Kubik; Sijbren Otto","Noncovalent Interactions within a Synthetic Receptor Can Reinforce Guest Binding","Journal of the American Chemical Society","2006","128","","11206","11210","10.1021/ja062389h","","","0.6923","synchrotron","","0.1431","0.1128","","0.1534","0.1248","0.1248","","","","","","1.157","","","","has coordinates,has disorder","201372","2020-10-21","18:00:00",""
"4110838","13.863","0.0002","16.993","0.0003","28.734","0.0005","90","","93.007","0.001","90","","6759.66","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 N2 O2 -","- C47 H32 N2 O2 -","- C376 H256 N16 O16 -","8","2","","Chien-Tien Chen; Yi Wei; Jin-Sheng Lin; Murthy V. R. K. Moturu; Wei-San Chao; Yu-Tai Tao; Chin-Hsiung Chien","Doubly Ortho-Linked Quinoxaline/Diphenylfluorene Hybrids as Bipolar, Fluorescent Chameleons for Optoelectronic Applications","Journal of the American Chemical Society","2006","128","","10992","10993","10.1021/ja062660v","","","0.71073","MoKα","","0.1336","0.0601","","","0.1298","0.1704","","","","","","1.031","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110839","10.166","0.0001","13.63","0.0002","27.9975","0.0005","89.53","0.001","83.779","0.001","78.539","0.001","3779.31","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H34 N4 -","- C47 H34 N4 -","- C188 H136 N16 -","4","2","","Chien-Tien Chen; Yi Wei; Jin-Sheng Lin; Murthy V. R. K. Moturu; Wei-San Chao; Yu-Tai Tao; Chin-Hsiung Chien","Doubly Ortho-Linked Quinoxaline/Diphenylfluorene Hybrids as Bipolar, Fluorescent Chameleons for Optoelectronic Applications","Journal of the American Chemical Society","2006","128","","10992","10993","10.1021/ja062660v","","","0.71073","MoKα","","0.1538","0.0887","","","0.2358","0.279","","","","","","0.876","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110840","13.55","0.0008","9.918","0.0006","25.004","0.0019","90","","117.413","0.002","90","","2982.9","0.3","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","SD01","SD01","","- C22 H40 Cl Fe N6 O3 S3 -","- C22 H40 Cl Fe N6 O3 S3 -","- C88 H160 Cl4 Fe4 N24 O12 S12 -","4","1","","Priscilla Lugo-Mas; Abhishek Dey; Liang Xu; Steven D. Davin; Jason Benedict; Werner Kaminsky; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Julie A. Kovacs","How Does Single Oxygen Atom Addition Affect the Properties of an Fe-Nitrile Hydratase Analogue? The Compensatory Role of the Unmodified Thiolate","Journal of the American Chemical Society","2006","128","","11211","11221","10.1021/ja062706k","","","0.71073","MoKα","","0.125","0.0557","","","0.094","0.1116","","","","","","0.999","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110841","15.461","0.0005","14.468","0.0006","20.536","0.0011","90","","90","","90","","4593.7","0.3","130","2","130","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","ADIT_OX_Zn","ADIT_OX_Zn","","- C14 H30 Cl3 Fe N4 O S2 Zn -","- C14 H30 Cl3 Fe N4 O S2 Zn -","- C112 H240 Cl24 Fe8 N32 O8 S16 Zn8 -","8","1","","Priscilla Lugo-Mas; Abhishek Dey; Liang Xu; Steven D. Davin; Jason Benedict; Werner Kaminsky; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Julie A. Kovacs","How Does Single Oxygen Atom Addition Affect the Properties of an Fe-Nitrile Hydratase Analogue? The Compensatory Role of the Unmodified Thiolate","Journal of the American Chemical Society","2006","128","","11211","11221","10.1021/ja062706k","","","0.71073","MoKα","","0.1452","0.0466","","","0.06","0.0734","","","","","","1.001","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110842","16.9199","0.0016","5.5487","0.0005","23.585","0.002","90","","108.519","0.001","90","","2099.6","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bisoxzaolidine","(1R,2S)-cis-1-amino-2-indanol derived bisoxazolidine","","- C24.5 H24.5 Cl1.5 N2 O2 -","- C24.5 H24.5 Cl1.5 N2 O2 -","- C98 H98 Cl6 N8 O8 -","4","2","","Christian Wolf; Shuanglong Liu","Bisoxazolidine-Catalyzed Enantioselective Alkynylation of Aldehydes","Journal of the American Chemical Society","2006","128","","10996","10997","10.1021/ja062711o","","","0.71073","MoKα","","0.1067","0.0564","","","0.1206","0.1334","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110843","32.163","0.005","32.163","0.005","32.163","0.005","90","","90","","90","","33271","9","100.1","","","","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C120 H60 Br12 O16 Zr4 -","- C120 Br12 O16 Zr4 -","- C960 Br96 O128 Zr32 -","8","0.0833333","","Kowichiro Saruhashi; Shū Kobayashi","Remarkably Stable Chiral Zirconium Complexes for Asymmetric Mannich-Type Reactions","Journal of the American Chemical Society","2006","128","","11232","11235","10.1021/ja062776r","","","0.7107","MoKα","","","0.1126","","","","0.3523","","","","","","1.513","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110844","15.4788","0.0007","11.214","0.0003","16.5552","0.0007","90","","114.604","0.0015","90","","2612.73","0.18","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 F12 Ni S4 -","- C22 H16 F12 Ni S4 -","- C88 H64 F48 Ni4 S16 -","4","1","","Daniel J. Harrison; Neilson Nguyen; Alan J. Lough; Ulrich Fekl","New Insight into Reactions of Ni(S2C2(CF3)2)2 with Simple Alkenes: Alkene Adduct versus Dihydrodithiin Product Selectivity Is Controlled by [Ni(S2C2(CF3)2)2]- Anion","Journal of the American Chemical Society","2006","128","","11026","11027","10.1021/ja063030w","","","0.71073","MoKα","","0.0827","0.0444","","","0.1016","0.1207","","","","","","1.025","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110845","32.062","0.002","20.3625","0.0014","12.7065","0.0009","90","","105.372","0.002","90","","7998.8","0.9","173","2","173","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C16 H147 Fe6 K7 N8 O154 Si3 W30 -","- C8 H16 Fe6 K5 N4 O154 Si3 W30 -","- C16 H32 Fe12 K10 N8 O308 Si6 W60 -","2","0.5","","Bogdan Botar; Yurii V. Geletii; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Ira A. Weinstock; Craig L. Hill","The True Nature of the Di-iron(III) γ-Keggin Structure in Water: Catalytic Aerobic Oxidation and Chemistry of an Unsymmetrical Trimer","Journal of the American Chemical Society","2006","128","","11268","11277","10.1021/ja063157l","","","0.71073","MoKα","","0.089","0.0674","","","0.1289","0.1375","","","","","","1.055","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110846","12.4883","0.0008","18.7832","0.0012","20.8326","0.0013","98.777","0.001","101.797","0.002","94.181","0.002","4700","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- Cl0.5 Fe4 H47 O99 Rb11.5 Si2 W20 -","- Fe4 O99 Rb11.5 Si2 W20 -","- Fe8 O198 Rb23 Si4 W40 -","2","1","","Bogdan Botar; Yurii V. Geletii; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Ira A. Weinstock; Craig L. Hill","The True Nature of the Di-iron(III) γ-Keggin Structure in Water: Catalytic Aerobic Oxidation and Chemistry of an Unsymmetrical Trimer","Journal of the American Chemical Society","2006","128","","11268","11277","10.1021/ja063157l","","","0.71073","MoKα","","0.0597","0.0449","","","0.1033","0.1096","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110847","22.202","0.019","26.62","0.02","38.95","0.03","90","","90","","90","","23020","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H80 Cl2 O2 P4 Pt2 -","- C52 H80 Cl2 O2 P4 Pt2 -","- C832 H1280 Cl32 O32 P64 Pt32 -","16","4","","Hua Jiang; Wenbin Lin","Directed Assembly of Mesoscopic Metallocycles with Controllable Size, Chirality, and Functionality Based on the Robust Pt-Alkynyl Linkage","Journal of the American Chemical Society","2006","128","","11286","11297","10.1021/ja0633013","","","0.71073","MoKα","","0.1931","0.099","","","0.1905","0.2144","","","","","","1.01","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110848","36.603","0.016","12.976","0.006","25.145","0.012","90","","126.653","0.009","90","","9581","8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C160 H200 O8 P8 Pt4 -","- C160 H200 O8 P8 Pt4 -","- C320 H400 O16 P16 Pt8 -","2","0.5","","Hua Jiang; Wenbin Lin","Directed Assembly of Mesoscopic Metallocycles with Controllable Size, Chirality, and Functionality Based on the Robust Pt-Alkynyl Linkage","Journal of the American Chemical Society","2006","128","","11286","11297","10.1021/ja0633013","","","0.71073","MoKα","","0.1915","0.1402","","","0.3322","0.3578","","","","","","1.125","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110849","16.6596","0.0005","13.408","0.0006","20.9886","0.0009","90","","90","","90","","4688.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H36 B2 O5 -","- C22 H36 B2 O5 -","- C176 H288 B16 O40 -","8","1","","David S. Laitar; Emily Y. Tsui; Joseph P. Sadighi","Catalytic Diboration of Aldehydes via Insertion into the Copper-Boron Bond","Journal of the American Chemical Society","2006","128","","11036","11037","10.1021/ja064019z","","","0.71073","MoKα","","0.0696","0.0603","","","0.1571","0.1655","","","","","","1.07","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110850","11.8285","0.0013","20.61","0.002","17.6358","0.0018","90","","101.158","0.004","90","","4218.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H60 B Cu N2 O3 -","- C43 H60 B Cu N2 O3 -","- C172 H240 B4 Cu4 N8 O12 -","4","1","","David S. Laitar; Emily Y. Tsui; Joseph P. Sadighi","Catalytic Diboration of Aldehydes via Insertion into the Copper-Boron Bond","Journal of the American Chemical Society","2006","128","","11036","11037","10.1021/ja064019z","","","0.71073","MoKα","","0.0625","0.0499","","","0.1231","0.1303","","","","","","1.092","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110851","10.176","0.004","11.376","0.005","19.084","0.008","90","","90","","90","","2209.2","1.6","","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","sins0103a","","","- C24 H26 Br N O7 -","- C24 H26 Br N O7 -","- C96 H104 Br4 N4 O28 -","4","1","","Sheo B. Singh; Hiranthi Jayasuriya; John G. Ondeyka; Kithsiri B. Herath; Chaowei Zhang; Deborah L. Zink; Nancy N. Tsou; Richard G. Ball; Angela Basilio; Olga Genilloud; Maria Teresa Diez; Francisca Vicente; Fernando Pelaez; Katherine Young; Jun Wang","Isolation, Structure, and Absolute Stereochemistry of Platensimycin, A Broad Spectrum Antibiotic Discovered Using an Antisense Differential Sensitivity Strategy","Journal of the American Chemical Society","2006","128","","11916","11920","10.1021/ja062232p","","","","MoKα","","","0.0383","","","","0.0623","","","","","","0.89","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110852","9.2106","0.0007","10.9363","0.0007","17.6476","0.0008","90","","93.331","0.002","90","","1774.64","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C72 H108 N4 O8 S4 -","4","1","","Jun Huang; Shuang Chen; Ilia A. Guzei; Lian Yu","Discovery of a Solid Solution of Enantiomers in a Racemate-Forming System by Seeding","Journal of the American Chemical Society","2006","128","","11985","11992","10.1021/ja063450l","","","0.71073","Mo-Kα","","0.0847","0.0631","","","0.1542","0.1681","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110853","9.3882","0.0014","10.9503","0.0016","17.855","0.003","90","","93.766","0.003","90","","1831.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C72 H108 N4 O8 S4 -","4","1","","Jun Huang; Shuang Chen; Ilia A. Guzei; Lian Yu","Discovery of a Solid Solution of Enantiomers in a Racemate-Forming System by Seeding","Journal of the American Chemical Society","2006","128","","11985","11992","10.1021/ja063450l","","","0.71073","Mo-Kα","","0.1592","0.1208","","","0.2755","0.294","","","","","","1.409","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110854","16.048","0.002","17.736","0.003","18.142","0.003","90","","115.456","0.014","90","","4662.4","1.4","193","2","193","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C47.5 H90.25 B2 Fe6 Mo2 N17.5 S10.09 Se0.92 -","- C47.5 H38.5 B2 Fe6 Mo2 N17.5 S10.086 Se0.914 -","- C95 H77 B4 Fe12 Mo4 N35 S20.172 Se1.828 -","2","0.5","","Curtis P. Berlinguette; R. H. Holm","Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile","Journal of the American Chemical Society","2006","128","","11993","12000","10.1021/ja063604x","","","0.71073","MoKα","","0.0935","0.0863","","","0.2527","0.2587","","","","","","1.142","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110855","16.18","0.03","17.74","0.02","18.243","0.019","90","","116.2","0.1","90","","4698","12","193","2","193","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","(Et4N)[5].5.5MeCN","","","- C53 H98.5 B2 Fe6 Mo2 N20.5 S8 Se3 -","- C53 H74 B2 Fe6 Mo2 N20 S8.006 Se2.994 -","- C106 H148 B4 Fe12 Mo4 N40 S16.012 Se5.988 -","2","0.5","","Curtis P. Berlinguette; R. H. Holm","Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile","Journal of the American Chemical Society","2006","128","","11993","12000","10.1021/ja063604x","","","0.71073","MoKα","","0.0783","0.0564","","","0.1541","0.1686","","","","","","1.041","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110856","14.98","0.05","17.1","0.06","18.49","0.07","91.5","0.16","101.83","0.17","115.15","0.09","4162","3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","(Et4N)3.Cluster.1MeCN","","","- C48 H93 B2 Fe6 Mo2 N16 O0 S10 Se -","- C48 H90 B2 Fe6 Mo2 N16 S9.904 Se1.096 -","- C96 H180 B4 Fe12 Mo4 N32 S19.808 Se2.192 -","2","1","","Curtis P. Berlinguette; R. H. Holm","Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile","Journal of the American Chemical Society","2006","128","","11993","12000","10.1021/ja063604x","","","0.71073","MoKα","","0.1398","0.0808","","","0.2186","0.2593","","","","","","1.044","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110857","16.6074","0.0019","17.385","0.002","18.396","0.003","90","","116.816","0.002","90","","4740.1","1.1","173","2","173","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","(Et4N)3[7].2.5MeCN","","","- C49 H87.5 B2 Fe6 Mo2 N19.5 S7.8 Se1.2 -","- C49 H20 B2 Fe6 Mo2 N18.5 S7.8 Se1.2 -","- C98 H40 B4 Fe12 Mo4 N37 S15.6 Se2.4 -","2","0.5","","Curtis P. Berlinguette; R. H. Holm","Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile","Journal of the American Chemical Society","2006","128","","11993","12000","10.1021/ja063604x","","","0.71073","MoKα","","0.0842","0.0634","","","0.1785","0.1984","","","","","","1.027","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110858","36.478","0.009","26.208","0.007","16.165","0.006","90","","90","","90","","15454","8","193","2","193","2","","","","","","","","7","A b a 2","A 2 -2ab","41","(Et4N)5[8].8MeCN","","","- C92 H164 B4 Fe12 Mo4 N37 S20 -","- C92 H140 B4 Fe12 Mo4 N37 S20 -","- C368 H560 B16 Fe48 Mo16 N148 S80 -","4","","","Curtis P. Berlinguette; R. H. Holm","Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile","Journal of the American Chemical Society","2006","128","","11993","12000","10.1021/ja063604x","","","0.71073","MoKα","","0.1042","0.0878","","","0.1968","0.2046","","","","","","1.156","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110859","17.8522","0.0004","23.0986","0.0005","37.9215","0.0009","90","","99.417","0.002","90","","15426.6","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C165 H149 Li N12 O10 P6 S12 Ti2 -","- C165 H147 Li N12 O10 P6 S12 Ti2 -","- C660 H588 Li4 N48 O40 P24 S48 Ti8 -","4","1","","Thorsten Kreickmann; Christian Diedrich; Tania Pape; Han Vinh Huynh; Stefan Grimme; F. Ekkehardt Hahn","Metallosupramolecular Chemistry with Bis(benzene-o-dithiolato) Ligands","Journal of the American Chemical Society","2006","128","","11808","11819","10.1021/ja063655u","","","1.54184","CuKα","","0.0786","0.0522","","","0.133","0.1427","","","","","","0.938","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110860","24.5457","0.0016","24.5457","0.0016","112.885","0.01","90","","90","","120","","58900","8","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C213 H177 N13 O9 P8 S12 Ti2 -","- C212.82 H176.85 N12.995 O9 P7.99 S12 Ti2 -","- C2553.84 H2122.2 N155.94 O108 P95.88 S144 Ti24 -","12","0.333333","","Thorsten Kreickmann; Christian Diedrich; Tania Pape; Han Vinh Huynh; Stefan Grimme; F. Ekkehardt Hahn","Metallosupramolecular Chemistry with Bis(benzene-o-dithiolato) Ligands","Journal of the American Chemical Society","2006","128","","11808","11819","10.1021/ja063655u","","","1.54178","CuKα","","0.1258","0.0886","","","0.2439","0.279","","","","","","1.04","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110861","8.4004","0.001","16.4984","0.0019","17.952","0.002","80.544","0.002","76.82","0.002","85.068","0.003","2386.5","0.5","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H98 As2 N8 O10 S8 Ti2 -","- C102 H98 As2 N8 O10 S8 Ti2 -","- C102 H98 As2 N8 O10 S8 Ti2 -","1","0.5","","Thorsten Kreickmann; Christian Diedrich; Tania Pape; Han Vinh Huynh; Stefan Grimme; F. Ekkehardt Hahn","Metallosupramolecular Chemistry with Bis(benzene-o-dithiolato) Ligands","Journal of the American Chemical Society","2006","128","","11808","11819","10.1021/ja063655u","","","0.71073","MoKα","","0.0746","0.0464","","","0.1013","0.1107","","","","","","1.007","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110862","14.038","0.003","15.014","0.003","15.241","0.003","105.879","0.004","100.689","0.004","110.322","0.004","2753.7","1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H104 N8 O16 P4 Ti2 -","- C120 H104 N8 O16 P4 Ti2 -","- C120 H104 N8 O16 P4 Ti2 -","1","0.5","","Thorsten Kreickmann; Christian Diedrich; Tania Pape; Han Vinh Huynh; Stefan Grimme; F. Ekkehardt Hahn","Metallosupramolecular Chemistry with Bis(benzene-o-dithiolato) Ligands","Journal of the American Chemical Society","2006","128","","11808","11819","10.1021/ja063655u","","","0.71073","MoKα","","0.1717","0.0877","","","0.2141","0.2654","","","","","","0.977","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110863","8.58","0.0014","6.9147","0.0011","14.765","0.003","90","","90.373","0.005","90","","876","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Br1.35 Cl0.65 N -","- C18 H21 Br1.348 Cl0.652 N -","- C36 H42 Br2.696 Cl1.304 N2 -","2","1","","Guo-Hua Hou; Jian-Hua Xie; Li-Xin Wang; Qi-Lin Zhou","Highly Efficient Rh(I)-Catalyzed Asymmetric Hydrogenation of Enamines Using Monodente Spiro Phosphonite Ligands","Journal of the American Chemical Society","2006","128","","11774","11775","10.1021/ja0644778","","","0.7107","MoKα","","0.0527","0.033","","","0.0603","0.0646","","","","","","0.861","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110864","13.37","0.003","16.407","0.003","10.255","0.002","90","","91.85","0.03","90","","2248.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Xiaobing Wan; Dong Xing; Zhao Fang; Bijie Li; Fei Zhao; Keya Zhang; Liping Yang; Zhangjie Shi","Multiple Deprotonations and Deaminations of Phenethylamines to Synthesize Pyrroles","Journal of the American Chemical Society","2006","128","","12046","12047","10.1021/ja061176p","","","0.71073","MoKα","","0.106","0.0392","","","0.0661","0.0723","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110865","8.2616","0.0002","12.2638","0.0004","13.3939","0.0004","100.215","0.001","95.226","0.001","104.524","0.001","1279.71","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","POCOPIrHBH2","POCOPIrHBH2","","- C22 H42 B Ir O2 P2 -","- C22 H42 B Ir O2 P2 -","- C44 H84 B2 Ir2 O4 P4 -","2","1","","Melanie C. Denney; Vincent Pons; Travis J. Hebden; D. Michael Heinekey; Karen I. Goldberg","Efficient Catalysis of Ammonia Borane Dehydrogenation","Journal of the American Chemical Society","2006","128","","12048","12049","10.1021/ja062419g","","","0.71073","MoKα","","0.0585","0.0457","","","0.0892","0.0954","","","","","","1.06","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110866","18.9367","0.0011","11.9364","0.0005","6.8799","0.0004","90","","90","","90","","1555.11","0.14","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H11 O5 P W -","- C14 H11 O5 P W -","- C56 H44 O20 P4 W4 -","4","1","","Rosa E. Bulo; Florian Allaart; Andreas W. Ehlers; Franciscus J. J. de Kanter; Marius Schakel; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Circumambulatory Rearrangement with Characteristics of a 2:1 Covalent Molecular Bevel Gear","Journal of the American Chemical Society","2006","128","","12169","12173","10.1021/ja0627895","","","0.71073","MoKα","","0.0221","0.0148","","","0.0252","0.0269","","","","","","1.065","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110867","9.0373","0.0011","13.4576","0.0011","13.548","0.0011","90","","110.442","0.008","90","","1544","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 O5 P W -","- C14 H11 O5 P W -","- C56 H44 O20 P4 W4 -","4","1","","Rosa E. Bulo; Florian Allaart; Andreas W. Ehlers; Franciscus J. J. de Kanter; Marius Schakel; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Circumambulatory Rearrangement with Characteristics of a 2:1 Covalent Molecular Bevel Gear","Journal of the American Chemical Society","2006","128","","12169","12173","10.1021/ja0627895","","","0.71073","MoKα","","0.0212","0.0177","","","0.0432","0.0448","","","","","","1.099","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110868","12.4531","0.0016","38.667","0.005","13.6401","0.0017","90","","90.923","0.002","90","","6567.2","1.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C95 H160 Cl6 O34 Re2 Si16 -","- C95 H160 Cl6 O34 Re2 Si16 -","- C190 H320 Cl12 O68 Re4 Si32 -","2","1","","Elena Lucenti; Giuseppe D'Alfonso; Piero Macchi; Mario Maranesi; Dominique Roberto; Angelo Sironi; Renato Ugo","A Re(CO)5 Fragment Bonded to a Polyhedral Oligomeric Hydroxysilsesquioxane as a Model which Gives Further Evidence to the Existence of an Unexpected Re(CO)5 Surface Species","Journal of the American Chemical Society","2006","128","","12054","12055","10.1021/ja0630588","","","0.71069","MoKα","","0.0828","0.0587","","","0.149","0.1633","","","","","","1.038","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110869","11.3178","0.0014","22.552","0.003","18.076","0.002","90","","99.966","0.004","90","","4544.1","1","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C216 H216 N36 -","18","4.5","","Michal Rafilovich; Joel Bernstein","Serendipity and Four Polymorphic Structures of Benzidine, C12H12N2","Journal of the American Chemical Society","2006","128","","12185","12191","10.1021/ja063224b","","","0.71073","MoKα","","0.2691","0.0489","","","0.1082","0.1795","","","","","","0.704","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110870","9.7443","0.0012","11.4444","0.0015","13.9786","0.0016","104.847","0.003","97.681","0.004","95.018","0.003","1481.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C72 H72 N12 -","6","3","","Michal Rafilovich; Joel Bernstein","Serendipity and Four Polymorphic Structures of Benzidine, C12H12N2","Journal of the American Chemical Society","2006","128","","12185","12191","10.1021/ja063224b","","","0.71073","MoKα","","0.1613","0.0517","","","0.1092","0.1411","","","","","","0.781","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110871","14.735","0.004","5.5332","0.0016","19.2","0.006","90","","106.827","0.009","90","","1498.4","0.8","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C72 H72 N12 -","6","1.5","","Michal Rafilovich; Joel Bernstein","Serendipity and Four Polymorphic Structures of Benzidine, C12H12N2","Journal of the American Chemical Society","2006","128","","12185","12191","10.1021/ja063224b","","","0.71073","MoKα","","0.1257","0.0583","","","0.141","0.1791","","","","","","0.859","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110872","11.631","0.0013","16.1892","0.0019","24.173","0.003","90","","99.153","0.003","90","","4493.7","0.9","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C216 H216 N36 -","18","4.5","","Michal Rafilovich; Joel Bernstein","Serendipity and Four Polymorphic Structures of Benzidine, C12H12N2","Journal of the American Chemical Society","2006","128","","12185","12191","10.1021/ja063224b","","","0.71073","MoKα","","0.1611","0.0478","","","0.1137","0.1625","","","","","","0.843","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110873","10.8764","0.0002","15.1293","0.0003","26.7857","0.0005","77.428","0.001","85.234","0.001","78.123","0.001","4206.49","0.14","120","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 N9 O19 Y2 -","- C87 H88 N14.5 O18.5 Y2 -","- C174 H176 N29 O37 Y4 -","2","1","","Katell Sénéchal-David; Anne Hemeryck; Nicolas Tancrez; Loïc Toupet; J. A. Gareth Williams; Isabelle Ledoux; Joseph Zyss; Abdou Boucekkine; Jean-Paul Guégan; Hubert Le Bozec; Olivier Maury","Synthesis, Structural Studies, Theoretical Calculations, and Linear and Nonlinear Optical Properties of Terpyridyl Lanthanide Complexes: New Evidence for the Contribution of f Electrons to the NLO Activity","Journal of the American Chemical Society","2006","128","","12243","12255","10.1021/ja063586j","","","0.71073","MoKα","","0.1332","0.0802","","","0.1861","0.2153","","","","","","1.006","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110874","48.415","0.001","48.415","0.001","10.6278","0.0002","90","","90","","120","","21574.2","0.7","120","1","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C135 H141 Gd3 N24 O27 -","- C135 H132 Gd3 N24 O27 -","- C810 H792 Gd18 N144 O162 -","6","0.333333","","Katell Sénéchal-David; Anne Hemeryck; Nicolas Tancrez; Loïc Toupet; J. A. Gareth Williams; Isabelle Ledoux; Joseph Zyss; Abdou Boucekkine; Jean-Paul Guégan; Hubert Le Bozec; Olivier Maury","Synthesis, Structural Studies, Theoretical Calculations, and Linear and Nonlinear Optical Properties of Terpyridyl Lanthanide Complexes: New Evidence for the Contribution of f Electrons to the NLO Activity","Journal of the American Chemical Society","2006","128","","12243","12255","10.1021/ja063586j","","","0.71069","MoKα","","0.183","0.0944","","","0.2424","0.3029","","","","","","1.02","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110875","8.8669","0.0006","19.9702","0.0015","15.3635","0.0011","90","","97.896","0.001","90","","2694.7","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H45 B Cl P Pd -","- C27 H45 B Cl P Pd -","- C108 H180 B4 Cl4 P4 Pd4 -","4","1","","Sébastien Bontemps; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou","On the Versatile and Unusual Coordination Behavior of Ambiphilic Ligands o-R2P(Ph)BR'2","Journal of the American Chemical Society","2006","128","","12056","12057","10.1021/ja0637494","","","0.71073","MoKα","","0.0314","0.0251","","","0.0629","0.0663","","","","","","1.072","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110876","8.4956","0.0006","9.4873","0.0007","17.5693","0.0013","81.632","0.001","76.498","0.001","67.615","0.001","1270.67","0.16","133","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Au B Cl P -","- C24 H40 Au B Cl P -","- C48 H80 Au2 B2 Cl2 P2 -","2","1","","Sébastien Bontemps; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou","On the Versatile and Unusual Coordination Behavior of Ambiphilic Ligands o-R2P(Ph)BR'2","Journal of the American Chemical Society","2006","128","","12056","12057","10.1021/ja0637494","","","0.71073","MoKα","","0.0391","0.0291","","","0.0634","0.0782","","","","","","1.06","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110877","8.7049","0.0008","12.011","0.0011","13.9619","0.0012","110.259","0.002","91.804","0.002","110.708","0.002","1261.1","0.2","133","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30 Au B Cl P -","- C27.5 H30 Au B Cl P -","- C55 H60 Au2 B2 Cl2 P2 -","2","1","","Sébastien Bontemps; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou","On the Versatile and Unusual Coordination Behavior of Ambiphilic Ligands o-R2P(Ph)BR'2","Journal of the American Chemical Society","2006","128","","12056","12057","10.1021/ja0637494","","","0.71073","MoKα","","0.0457","0.0336","","","0.0726","0.0768","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110878","40.2225","0.0008","10.1706","0.0003","20.177","0.0004","90","","114.193","0.001","90","","7529.2","0.3","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H5 F12 O -","- C68 F12 O -","- C544 F96 O8 -","8","1","","Ivan E. Kareev; Natalia B. Shustova; Igor V. Kuvychko; Sergey F. Lebedkin; Susie M. Miller; Oren P. Anderson; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Thermally Stable Perfluoroalkylfullerenes with the Skew-Pentagonal-Pyramid Pattern: C60(C2F5)4O, C60(CF3)4O, and C60(CF3)6","Journal of the American Chemical Society","2006","128","","12268","12280","10.1021/ja063907r","","","0.71073","MoKα","","0.0967","0.0495","","","0.1133","0.1401","","","","","","1.008","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110879","10.1145","0.0006","12.3096","0.0008","16.8423","0.0008","80.148","0.003","78.049","0.003","74.893","0.003","1965.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C68 F20 O -","- C68 F20 O -","- C136 F40 O2 -","2","1","","Ivan E. Kareev; Natalia B. Shustova; Igor V. Kuvychko; Sergey F. Lebedkin; Susie M. Miller; Oren P. Anderson; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Thermally Stable Perfluoroalkylfullerenes with the Skew-Pentagonal-Pyramid Pattern: C60(C2F5)4O, C60(CF3)4O, and C60(CF3)6","Journal of the American Chemical Society","2006","128","","12268","12280","10.1021/ja063907r","","","0.71073","MoKα","","0.1269","0.0536","","","0.1093","0.1381","","","","","","0.959","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110880","12.2382","0.0017","12.2382","0.0017","10.0176","0.0015","90","","90","","90","","1500.4","0.4","120","2","120","2","","","","","","","Gareth Bates","4","P 4/n :2","-P 4a","85","","","","- C32 H48 Cl N5 -","- C32.04 H48.12 Cl N5 -","- C64.08 H96.24 Cl2 N10 -","2","0.25","","Jonathan L. Sessler; Dustin E. Gross; Won-Seob Cho; Vincent M. Lynch; Franz P. Schmidtchen; Gareth W. Bates; Mark E. Light; Philip A. Gale","Calix[4]pyrrole as a Chloride Anion Receptor: Solvent and Countercation Effects","Journal of the American Chemical Society","2006","128","","12281","12288","10.1021/ja064012h","","","0.71073","MoKα","","0.1033","0.0611","","","0.147","0.1743","","","","","","1.031","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110881","10.3552","0.0008","10.3566","0.0009","17.4107","0.001","95.319","0.006","91.844","0.005","97.234","0.006","1842.5","0.2","120","2","120","2","","","","","","","Gareth Bates","4","P -1","-P 1","2","","","","- C37 H58 Cl3 N5 -","- C37 H58 Cl3 N5 -","- C74 H116 Cl6 N10 -","2","1","","Jonathan L. Sessler; Dustin E. Gross; Won-Seob Cho; Vincent M. Lynch; Franz P. Schmidtchen; Gareth W. Bates; Mark E. Light; Philip A. Gale","Calix[4]pyrrole as a Chloride Anion Receptor: Solvent and Countercation Effects","Journal of the American Chemical Society","2006","128","","12281","12288","10.1021/ja064012h","","","0.71073","MoKα","","0.1048","0.0506","","","0.1082","0.1291","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110882","10.4127","0.0002","10.5126","0.0002","17.6381","0.0005","91.377","0.001","95.216","0.001","97.477","0.001","1905.14","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 Cl3 N4 P -","- C37 H58 Cl3 N4 P -","- C74 H116 Cl6 N8 P2 -","2","1","","Jonathan L. Sessler; Dustin E. Gross; Won-Seob Cho; Vincent M. Lynch; Franz P. Schmidtchen; Gareth W. Bates; Mark E. Light; Philip A. Gale","Calix[4]pyrrole as a Chloride Anion Receptor: Solvent and Countercation Effects","Journal of the American Chemical Society","2006","128","","12281","12288","10.1021/ja064012h","","","0.71073","MoKα","","0.0638","0.044","","","0.105","0.1168","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110883","21.1602","0.0003","19.9577","0.0003","10.9419","0.0002","90","","90","","90","","4620.86","0.13","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H74 Cl3 N4 P -","- C45 H74 Cl3 N4 P -","- C180 H296 Cl12 N16 P4 -","4","1","","Jonathan L. Sessler; Dustin E. Gross; Won-Seob Cho; Vincent M. Lynch; Franz P. Schmidtchen; Gareth W. Bates; Mark E. Light; Philip A. Gale","Calix[4]pyrrole as a Chloride Anion Receptor: Solvent and Countercation Effects","Journal of the American Chemical Society","2006","128","","12281","12288","10.1021/ja064012h","","","0.71073","MoKα","","0.0595","0.0453","","","0.1027","0.1104","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110884","12.8495","0.0001","13.1813","0.0001","24.5304","0.0002","90","","91.13","0.001","90","","4153.98","0.06","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H66 Cl3 N5 -","- C41 H66 Cl3 N5 -","- C164 H264 Cl12 N20 -","4","1","","Jonathan L. Sessler; Dustin E. Gross; Won-Seob Cho; Vincent M. Lynch; Franz P. Schmidtchen; Gareth W. Bates; Mark E. Light; Philip A. Gale","Calix[4]pyrrole as a Chloride Anion Receptor: Solvent and Countercation Effects","Journal of the American Chemical Society","2006","128","","12281","12288","10.1021/ja064012h","","","0.71073","MoKα","","0.0624","0.0492","","","0.1221","0.1301","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110885","8.7649","0.0005","33.821","0.002","10.9321","0.0008","90","","92.1164","0.0014","90","","3238.5","0.4","140.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 Br6 N8 O2 Pt2 -","- C18 H34 Br6 N8 O2 Pt2 -","- C72 H136 Br24 N32 O8 Pt8 -","4","1","","Atsushi Kobayashi; Hiroshi Kitagawa","Mixed-Valence Two-Legged MX-Ladder Complex with a Pair of Out-of-Phase Charge-Density Waves","Journal of the American Chemical Society","2006","128","","12066","12067","10.1021/ja064082o","","","0.7107","MoKα","","","0.0685","","","","0.1644","","","","","","1.259","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110886","7.2048","0.001","16.46","0.002","11.8821","0.0016","90","","96.673","0.003","90","","1399.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H21 Al B9 N -","- C6 H21 Al B9 N -","- C24 H84 Al4 B36 N4 -","4","2","","Ki-Chul Son; Young-Joo Lee; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Constrained-Geometry Aluminum Complexes with η5;η1-Coordination: Syntheses, Structures, and Theoretical Studies of Dicarbollylamino Aluminum(III) Complexes","Journal of the American Chemical Society","2006","128","","12086","12087","10.1021/ja064696t","","","0.71073","MoKα","","0.12","0.0579","","","0.1392","0.1658","","","","","","0.994","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110887","7.8871","0.0009","15.6252","0.0019","12.3519","0.0015","90","","92.013","0.003","90","","1521.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H23 Al B9 N -","- C7 H23 Al B9 N -","- C28 H92 Al4 B36 N4 -","4","1","","Ki-Chul Son; Young-Joo Lee; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Constrained-Geometry Aluminum Complexes with η5;η1-Coordination: Syntheses, Structures, and Theoretical Studies of Dicarbollylamino Aluminum(III) Complexes","Journal of the American Chemical Society","2006","128","","12086","12087","10.1021/ja064696t","","","0.71073","MoKα","","0.1351","0.0662","","","0.1758","0.2109","","","","","","1.053","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110888","9.3406","0.0006","11.7311","0.0007","12.2403","0.0008","107.703","0.001","108.925","0.001","103.746","0.001","1121.37","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H26 B F3 O5 Pt -","- C23 H26 B F3 O5 Pt -","- C46 H52 B2 F6 O10 Pt2 -","2","1","","Endre Szuromi; Jianguo Wu; Paul R. Sharp","Reversible Alkene Extrusion from Platinaoxetanes","Journal of the American Chemical Society","2006","128","","12088","12089","10.1021/ja065207s","","","0.71073","MoKα","","0.0479","0.0403","","","0.0963","0.1008","","","","","","1.053","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110889","8.2632","0.0011","13.7649","0.0017","19.649","0.003","90","","90","","90","","2234.9","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H17 Cl O Pt -","- C11 H17 Cl O Pt -","- C88 H136 Cl8 O8 Pt8 -","8","1","","Endre Szuromi; Jianguo Wu; Paul R. Sharp","Reversible Alkene Extrusion from Platinaoxetanes","Journal of the American Chemical Society","2006","128","","12088","12089","10.1021/ja065207s","","","0.71073","MoKα","","0.0386","0.0278","","","0.0566","0.0596","","","","","","1.07","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110890","10.7045","0.0011","12.2835","0.0013","13.3986","0.0014","78.075","0.002","83.675","0.002","81.444","0.002","1698.8","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H41 B Cl F4 N O7 Pt2 -","- C32 H41 B Cl F4 N O7 Pt2 -","- C64 H82 B2 Cl2 F8 N2 O14 Pt4 -","2","1","","Endre Szuromi; Jianguo Wu; Paul R. Sharp","Reversible Alkene Extrusion from Platinaoxetanes","Journal of the American Chemical Society","2006","128","","12088","12089","10.1021/ja065207s","","","0.71073","MoKα","","0.0539","0.0393","","","0.094","0.1008","","","","","","1.028","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110891","13.6535","0.0006","11.685","0.0005","18.6671","0.0008","90","","90","","90","","2978.2","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H22 B F3 O Pt -","- C15 H22 B F3 O Pt -","- C120 H176 B8 F24 O8 Pt8 -","8","1","","Endre Szuromi; Jianguo Wu; Paul R. Sharp","Reversible Alkene Extrusion from Platinaoxetanes","Journal of the American Chemical Society","2006","128","","12088","12089","10.1021/ja065207s","","","0.71073","MoKα","","0.0398","0.0287","","","0.0614","0.0669","","","","","","1.038","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110892","11.157","0.002","13.22","0.002","18.406","0.003","86.578","0.003","85.092","0.003","79.206","0.003","2654.3","0.8","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C126 H44 Cl6 Co2 F30 N8 P2 -","- C126 H44 Cl6 Co2 F30 N8 P2 -","- C126 H44 Cl6 Co2 F30 N8 P2 -","1","0.5","","Satoru Hiroto; Ko Furukawa; Hiroshi Shinokubo; Atsuhiro Osuka","Synthesis and Biradicaloid Character of Doubly Linked Corrole Dimers","Journal of the American Chemical Society","2006","128","","12380","12381","10.1021/ja062654z","","","0.71073","MoKα","","0.0638","0.0543","","","0.1426","0.1516","","","","","","1.051","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110893","14.9948","0.0004","39.4282","0.0008","16.3092","0.0004","90","","109.651","0.0011","90","","9080.7","0.4","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H69 Cl3 F30 N8 O2 Zn2 -","- C100 H69 Cl3 F30 N8 O2 Zn2 -","- C400 H276 Cl12 F120 N32 O8 Zn8 -","4","1","","Satoru Hiroto; Ko Furukawa; Hiroshi Shinokubo; Atsuhiro Osuka","Synthesis and Biradicaloid Character of Doubly Linked Corrole Dimers","Journal of the American Chemical Society","2006","128","","12380","12381","10.1021/ja062654z","","","0.71069","MoKα","","0.1171","0.0875","","","0.2412","0.27","","","","","","1.027","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110894","11.347","0.003","12.766","0.004","16.505","0.004","72.43","0.004","70.736","0.004","66.315","0.004","2026.8","1","91","2","91","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H60 Ga N2 -","- C48 H60 Ga N2 -","- C96 H120 Ga2 N4 -","2","1","","Robert J. Wright; Marcin Brynda; James C. Fettinger; Audra R. Betzer; Philip P. Power","Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds","Journal of the American Chemical Society","2006","128","","12498","12509","10.1021/ja063072k","","","0.71073","MoKα","","0.1042","0.0545","","","0.1157","0.1297","","","","","","0.962","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110895","12.8419","0.0014","10.8132","0.0012","31.065","0.004","90","","90.861","0.003","90","","4313.3","0.9","91","2","91","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H63 Ga N2 -","- C50 H63 Ga N2 -","- C200 H252 Ga4 N8 -","4","1","","Robert J. Wright; Marcin Brynda; James C. Fettinger; Audra R. Betzer; Philip P. Power","Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds","Journal of the American Chemical Society","2006","128","","12498","12509","10.1021/ja063072k","","","0.71073","MoKα","","0.0924","0.041","","","0.0757","0.0946","","","","","","1.012","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110896","25.919","0.006","14.966","0.003","22.663","0.005","90","","123.089","0.003","90","","7365","3","91","2","91","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(Dipp*GaNAr)2","","","- C88 H104 Ga2 N2 -","- C88 H104 Ga2 N2 -","- C352 H416 Ga8 N8 -","4","0.5","","Robert J. Wright; Marcin Brynda; James C. Fettinger; Audra R. Betzer; Philip P. Power","Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds","Journal of the American Chemical Society","2006","128","","12498","12509","10.1021/ja063072k","","","0.71073","MoKα","","0.0499","0.0369","","","0.0919","0.1063","","","","","","1.053","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110897","11.072","0.0007","11.6811","0.0008","11.9741","0.0008","118.67","0.001","114.144","0.001","90.151","0.001","1201.05","0.14","90","2","90","2","","","","","","","","5","P -1","-P 1","2","J*N(TMS)Ga","","","- C27 H34 Ga N Si -","- C27 H34 Ga N Si -","- C54 H68 Ga2 N2 Si2 -","2","1","","Robert J. Wright; Marcin Brynda; James C. Fettinger; Audra R. Betzer; Philip P. Power","Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds","Journal of the American Chemical Society","2006","128","","12498","12509","10.1021/ja063072k","","","0.71073","MoKα","","0.0449","0.036","","","0.1028","0.1079","","","","","","1.142","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110898","20.503","0.004","18.564","0.004","28.657","0.006","90","","97.543","0.003","90","","10813","4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126.5 H146 Ga2 N4 Si2 -","- C126.5 H146 Ga2 N4 Si2 -","- C506 H584 Ga8 N16 Si8 -","4","1","","Robert J. Wright; Marcin Brynda; James C. Fettinger; Audra R. Betzer; Philip P. Power","Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds","Journal of the American Chemical Society","2006","128","","12498","12509","10.1021/ja063072k","","","0.71073","MoKα","","0.1127","0.0846","","","0.2269","0.2403","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110899","14.4015","0.001","26.1551","0.0019","21.8374","0.0016","90","","98.259","0.001","90","","8140.2","1","91","2","91","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(D*GaNNCPh2)2","","","- C95 H115 Ga2 N4 -","- C95 H115 Ga2 N4 -","- C380 H460 Ga8 N16 -","4","1","","Robert J. Wright; Marcin Brynda; James C. Fettinger; Audra R. Betzer; Philip P. Power","Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds","Journal of the American Chemical Society","2006","128","","12498","12509","10.1021/ja063072k","","","0.71073","MoKα","","0.1184","0.0472","","","0.1077","0.1282","","","","","","0.909","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110900","9.6415","0.0007","15.6136","0.0012","16.0959","0.0012","90","","102.776","0.001","90","","2363.1","0.3","516","2","516","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 Se2 -","- C24 H26 N4 Se2 -","- C96 H104 N16 Se8 -","4","1","","Victoria K. Landry; Mao Minoura; Keliang Pang; Daniela Buccella; Bryte V. Kelly; Gerard Parkin","Synthesis and Structural Characterization of 1-Mesityl-1,3-dihydro-imidazole-2-selone and Bis(1-mesitylimidazol-2-yl)diselenide: Experimental Evidence That the Selone Is More Stable Than the Selenol Tautomer","Journal of the American Chemical Society","2006","128","","12490","12497","10.1021/ja063168e","","","0.71073","MoKα","","0.0512","0.031","","","0.0778","0.0827","","","","","","1.088","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110901","7.6278","0.0005","21.1826","0.0013","7.4022","0.0005","90","","90.193","0.001","90","","1196.02","0.13","243","2","243","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 Se -","- C12 H14 N2 Se -","- C48 H56 N8 Se4 -","4","1","","Victoria K. Landry; Mao Minoura; Keliang Pang; Daniela Buccella; Bryte V. Kelly; Gerard Parkin","Synthesis and Structural Characterization of 1-Mesityl-1,3-dihydro-imidazole-2-selone and Bis(1-mesitylimidazol-2-yl)diselenide: Experimental Evidence That the Selone Is More Stable Than the Selenol Tautomer","Journal of the American Chemical Society","2006","128","","12490","12497","10.1021/ja063168e","","","0.71073","MoKα","","0.0423","0.0334","","","0.0975","0.1015","","","","","","1.022","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110902","6.682","0.0005","15.0829","0.0012","17.919","0.0014","90","","96.524","0.001","90","","1794.3","0.2","243","2","243","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N2 Se -","- C4 H6 N2 Se -","- C48 H72 N24 Se12 -","12","3","","Victoria K. Landry; Mao Minoura; Keliang Pang; Daniela Buccella; Bryte V. Kelly; Gerard Parkin","Synthesis and Structural Characterization of 1-Mesityl-1,3-dihydro-imidazole-2-selone and Bis(1-mesitylimidazol-2-yl)diselenide: Experimental Evidence That the Selone Is More Stable Than the Selenol Tautomer","Journal of the American Chemical Society","2006","128","","12490","12497","10.1021/ja063168e","","","0.71073","MoKα","","0.0657","0.0319","","","0.0738","0.085","","","","","","1.096","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110903","9.6793","0.0001","22.4522","0.0003","16.099","0.0002","90","","104.649","0.001","90","","3384.93","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 N4 Ta -","- C35 H53 N4 Ta -","- C140 H212 N16 Ta4 -","4","1","","Liam P. Spencer; Chad Beddie; Michael B. Hall; Michael D. Fryzuk","Synthesis, Reactivity, and DFT Studies of Tantalum Complexes Incorporating Diamido-N-heterocyclic Carbene Ligands. Facile Endocyclic C-H Bond Activation","Journal of the American Chemical Society","2006","128","","12531","12543","10.1021/ja063282x","","","0.71073","MoKα","","0.0271","0.0181","","","0.0394","0.0406","","","","","","1.072","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110904","9.3783","0.0008","11.5711","0.001","14.6775","0.0011","109.568","0.003","90.206","0.003","94.935","0.003","1494.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 Cl N4 Ta -","- C30 H42 Cl N4 Ta -","- C60 H84 Cl2 N8 Ta2 -","2","1","","Liam P. Spencer; Chad Beddie; Michael B. Hall; Michael D. Fryzuk","Synthesis, Reactivity, and DFT Studies of Tantalum Complexes Incorporating Diamido-N-heterocyclic Carbene Ligands. Facile Endocyclic C-H Bond Activation","Journal of the American Chemical Society","2006","128","","12531","12543","10.1021/ja063282x","","","0.71073","MoKα","","0.0518","0.0357","","","0.0751","0.0792","","","","","","1.056","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110905","15.668","0.005","11.495","0.005","19.926","0.005","90","0.005","102.002","0.005","90","0.005","3510","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H42 N7 Ta -","- C31 H42 N7 Ta -","- C124 H168 N28 Ta4 -","4","0.5","","Liam P. Spencer; Chad Beddie; Michael B. Hall; Michael D. Fryzuk","Synthesis, Reactivity, and DFT Studies of Tantalum Complexes Incorporating Diamido-N-heterocyclic Carbene Ligands. Facile Endocyclic C-H Bond Activation","Journal of the American Chemical Society","2006","128","","12531","12543","10.1021/ja063282x","","","0.71069","MoKα","","0.0307","0.0285","","","0.0841","0.0851","","","","","","1.122","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110906","12.669","0.005","11.681","0.005","25.201","0.005","90","0.005","87.021","0.005","90","0.005","3724","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H57 N8 Ta -","- C36 H57 N8 Ta -","- C144 H228 N32 Ta4 -","4","1","","Liam P. Spencer; Chad Beddie; Michael B. Hall; Michael D. Fryzuk","Synthesis, Reactivity, and DFT Studies of Tantalum Complexes Incorporating Diamido-N-heterocyclic Carbene Ligands. Facile Endocyclic C-H Bond Activation","Journal of the American Chemical Society","2006","128","","12531","12543","10.1021/ja063282x","","","0.71073","MoKα","","0.0438","0.0294","","","0.0631","0.0661","","","","","","1.044","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110907","11.0925","0.001","27.769","0.003","13.3194","0.0014","90","","96.253","0.004","90","","4078.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H50 N4 Ta -","- C46 H50 N4 Ta -","- C184 H200 N16 Ta4 -","4","1","","Liam P. Spencer; Chad Beddie; Michael B. Hall; Michael D. Fryzuk","Synthesis, Reactivity, and DFT Studies of Tantalum Complexes Incorporating Diamido-N-heterocyclic Carbene Ligands. Facile Endocyclic C-H Bond Activation","Journal of the American Chemical Society","2006","128","","12531","12543","10.1021/ja063282x","","","0.71073","MoKα","","0.0463","0.0255","","","0.0505","0.055","","","","","","1.011","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110908","8.6675","0.0012","8.6675","0.0012","8.3684","0.0017","90","","90","","90","","628.68","0.18","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au4 In2 K -","- Au4 In2 K -","- Au16 In8 K4 -","4","0.125","","Bin Li; John D. Corbett","Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb)","Journal of the American Chemical Society","2006","128","","12392","12393","10.1021/ja063503z","","","0.71073","MoKα","","0.0744","0.0411","","","0.106","0.1116","","","","","","1.028","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110909","8.8349","0.0012","8.8349","0.0012","8.2736","0.0017","90","","90","","90","","645.8","0.18","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au4 In2 Rb -","- Au4 In2 Rb -","- Au16 In8 Rb4 -","4","0.125","","Bin Li; John D. Corbett","Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb)","Journal of the American Chemical Society","2006","128","","12392","12393","10.1021/ja063503z","","","0.71073","MoKα","","0.0832","0.054","","","0.1299","0.1363","","","","","","1.247","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110910","8.7852","0.0012","8.7852","0.0012","8.3259","0.0017","90","","90","","90","","642.59","0.18","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Au4 In2 K0.65 Rb0.35 -","- Au4 In2 K0.65 Rb0.35 -","- Au16 In8 K2.6 Rb1.4 -","4","0.125","","Bin Li; John D. Corbett","Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb)","Journal of the American Chemical Society","2006","128","","12392","12393","10.1021/ja063503z","","","0.71073","MoKα","","0.0735","0.0479","","","0.1128","0.1226","","","","","","1.094","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110911","8.7032","0.0012","8.7032","0.0012","8.337","0.0017","90","","90","","90","","631.49","0.18","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Au4 In2 K0.87 Rb0.13 -","- Au4 In2 K0.87 Rb0.13 -","- Au16 In8 K3.48 Rb0.52 -","4","0.125","","Bin Li; John D. Corbett","Intermetallic Compounds with 1D Infinite Tunnels. Syntheses and Structures of AAu4In2 (A = K, Rb)","Journal of the American Chemical Society","2006","128","","12392","12393","10.1021/ja063503z","","","0.71073","MoKα","","0.0731","0.0396","","","0.0691","0.0732","","","","","","1.35","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110912","10.925","0.002","17.691","0.003","17.158","0.003","90","","94.143","0.003","90","","3307.5","1","297","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 Ni3 P2 S16 -","- C60 H48 Ni3 P2 S16 -","- C120 H96 Ni6 P4 S32 -","2","0.5","","Kazuya Kubo; Akiko Nakao; Hiroshi M. Yamamoto; Reizo Kato","Preparation and Characterization of Conducting Trimetallic Nickel-Dithiolene Complexes with Bridging Tetrathiooxalate Ligands","Journal of the American Chemical Society","2006","128","","12358","12359","10.1021/ja0638004","","","0.7107","MoKα","","","0.0436","","","","0.1367","","","","","","0.726","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110913","11.436","0.002","12.091","0.002","15.359","0.003","74.936","0.013","76.052","0.013","74.564","0.013","1942.8","0.6","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H51 Al B2 N2 O3 -","- C41 H51 Al B2 N2 O3 -","- C82 H102 Al2 B4 N4 O6 -","2","1","","Zhi Yang; Xiaoli Ma; Rainer B. Oswald; Herbert W. Roesky; Mathias Noltemeyer","Synthesis of an Aluminum Spirocyclic Hybrid with an Inorganic B2O3 and an Organic C3N2 Core","Journal of the American Chemical Society","2006","128","","12406","12407","10.1021/ja064035w","","","0.71073","MoKα","","0.2753","0.0912","","","0.1113","0.1646","","","","","","0.815","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110914","14.8773","0.0002","25.2561","0.0003","14.911","0.0002","90","","116.56","0.0005","90","","5011.42","0.11","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2b anion","","","- C72 H164 Li O6 Sb2 Si14 -","- C72 H164 Li O6 Sb2 Si14 -","- C144 H328 Li2 O12 Sb4 Si28 -","2","0.5","","Takahiro Sasamori; Eiko Mieda; Noriyoshi Nagahora; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Yoshinobu Hosoi; Yukio Furukawa; Nozomi Takagi; Shigeru Nagase; Norihiro Tokitoh","One-Electron Reduction of Kinetically Stabilized Dipnictenes: Synthesis of Dipnictene Anion Radicals","Journal of the American Chemical Society","2006","128","","12582","12588","10.1021/ja064062m","","","0.71069","MoKα","","0.0501","0.0415","","","0.1018","0.1096","","","","","","1.037","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110915","9.272","0.0019","11.005","0.002","17.211","0.003","85.42","0.03","83.28","0.03","78.76","0.03","1707.7","0.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H49 B F4 Ir N O3.5 P2 -","- C26 H49 B F4 Ir N O3.5 P2 -","- C52 H98 B2 F8 Ir2 N2 O7 P4 -","2","1","","Moran Feller; Amir Karton; Gregory Leitus; Jan M. L. Martin; David Milstein","Selective sp3 C-H Activation of Ketones at the β Position by Ir(I). Origin of Regioselectivity and Water Effect","Journal of the American Chemical Society","2006","128","","12400","12401","10.1021/ja0641352","","","0.71073","MoKα","","0.0525","0.0484","","","0.126","0.1294","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110916","13.372","0.003","10.47","0.002","23.018","0.005","90","","98.79","0.03","90","","3184.8","1.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H53 B F4 Ir N O P2 -","- C28 H53 B F4 Ir N O P2 -","- C112 H212 B4 F16 Ir4 N4 O4 P8 -","4","1","","Moran Feller; Amir Karton; Gregory Leitus; Jan M. L. Martin; David Milstein","Selective sp3 C-H Activation of Ketones at the β Position by Ir(I). Origin of Regioselectivity and Water Effect","Journal of the American Chemical Society","2006","128","","12400","12401","10.1021/ja0641352","","","0.71073","MoKα","","0.042","0.0359","","","0.0967","0.1002","","","","","","1.037","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110917","22.65","0.02","22.65","0.02","21.63","0.02","90","","90","","90","","11097","17","293","2","293","2","","","","","","","","4","P 41","P 4w","76","cucurbit[8]uril/WGG peptide complex","","","- C63 H172 N36 O44 -","- C63 H66 N36 O42 -","- C252 H264 N144 O168 -","4","1","","Lisa M. Heitmann; Alexander B. Taylor; P. John Hart; Adam R. Urbach","Sequence-Specific Recognition and Cooperative Dimerization of N-Terminal Aromatic Peptides in Aqueous Solution by a Synthetic Host","Journal of the American Chemical Society","2006","128","","12574","12581","10.1021/ja064323s","","","0.88559","synchrotron","","0.1301","0.1288","","","0.3464","0.3488","","","","","","2.61","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110918","13.211","0.013","22.65","0.02","38.42","0.04","90","","90","","90","","11496","19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cucurbit[8]uril/FGG peptide complex","","","- C74 H191 N38 O47 -","- C74 H82 N38 O46.5 -","- C296 H328 N152 O186 -","4","1","","Lisa M. Heitmann; Alexander B. Taylor; P. John Hart; Adam R. Urbach","Sequence-Specific Recognition and Cooperative Dimerization of N-Terminal Aromatic Peptides in Aqueous Solution by a Synthetic Host","Journal of the American Chemical Society","2006","128","","12574","12581","10.1021/ja064323s","","","0.95","synchrotron","","0.1308","0.1277","","","0.3408","0.3472","","","","","","2.306","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110919","9.992","0.008","20.362","0.015","8.962","0.007","90","","113.707","0.019","90","","1670","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O2 S -","- C18 H20 N2 O2 S -","- C72 H80 N8 O8 S4 -","4","1","","Sukbok Chang; Minjae Lee; Doo Young Jung; Eun Jeong Yoo; Seung Hwan Cho; Sun Kyu Han","Catalytic One-Pot Synthesis of Cyclic Amidines by Virtue of Tandem Reactions Involving Intramolecular Hydroamination under Mild Conditions","Journal of the American Chemical Society","2006","128","","12366","12367","10.1021/ja064788i","","","0.71073","MoKα","","0.1501","0.077","","","0.1737","0.1989","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110920","13.1543","0.0014","8.2699","0.0009","17.976","0.002","90","","110.089","0.002","90","","1836.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O2 S -","- C20 H24 N2 O2 S -","- C80 H96 N8 O8 S4 -","4","1","","Sukbok Chang; Minjae Lee; Doo Young Jung; Eun Jeong Yoo; Seung Hwan Cho; Sun Kyu Han","Catalytic One-Pot Synthesis of Cyclic Amidines by Virtue of Tandem Reactions Involving Intramolecular Hydroamination under Mild Conditions","Journal of the American Chemical Society","2006","128","","12366","12367","10.1021/ja064788i","","","0.71073","MoKα","","0.0921","0.0476","","","0.0955","0.1053","","","","","","1.004","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110921","12.0355","0.0005","18.2487","0.0008","8.5936","0.0004","90","","97.444","0.003","90","","1871.52","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BSIH","","","- C19 H22 B N3 O3 -","- C19 H22 B N3 O3 -","- C76 H88 B4 N12 O12 -","4","1","","Louise K. Charkoudian; David M. Pham; Katherine J. Franz","A Pro-Chelator Triggered by Hydrogen Peroxide Inhibits Iron-Promoted Hydroxyl Radical Formation","Journal of the American Chemical Society","2006","128","","12424","12425","10.1021/ja064806w","","","0.71073","MoKα","","0.1192","0.0521","","","0.1226","0.1424","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110922","19.7499","0.0009","9.2408","0.0005","21.8961","0.001","90","","110.569","0.002","90","","3741.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 O3 Si2 -","- C40 H52 O3 Si2 -","- C160 H208 O12 Si8 -","4","1","","Anne J. McNeil; Peter Müller; James E. Whitten; Timothy M. Swager","Conjugated Polymers in an Arene Sandwich","Journal of the American Chemical Society","2006","128","","12426","12427","10.1021/ja0648099","","","0.71073","MoKα","","0.0592","0.0444","","","0.1088","0.1184","","","","","","1.054","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110923","9.1608","0.0003","16.2457","0.0005","17.4539","0.0005","66.667","0.001","88.147","0.001","75.454","0.001","2302.07","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H60 O3 Si2 -","- C54 H60 O3 Si2 -","- C108 H120 O6 Si4 -","2","1","","Anne J. McNeil; Peter Müller; James E. Whitten; Timothy M. Swager","Conjugated Polymers in an Arene Sandwich","Journal of the American Chemical Society","2006","128","","12426","12427","10.1021/ja0648099","","","0.71073","MoKα","","0.0553","0.0442","","","0.1116","0.1186","","","","","","1.035","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110924","13.0097","0.0005","13.0237","0.0005","13.3955","0.0005","113.905","0.001","113.704","0.001","96.758","0.001","1790","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H76 Cl6 O6 Si2 -","- C82 H76 Cl6 O6 Si2 -","- C82 H76 Cl6 O6 Si2 -","1","0.5","","Anne J. McNeil; Peter Müller; James E. Whitten; Timothy M. Swager","Conjugated Polymers in an Arene Sandwich","Journal of the American Chemical Society","2006","128","","12426","12427","10.1021/ja0648099","","","0.71073","MoKα","","0.0376","0.0339","","","0.0925","0.0954","","","","","","1.051","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110925","11.2561","0.0003","13.258","0.0005","14.5786","0.0005","103.525","0.001","110.068","0.001","95.831","0.001","1947.07","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H108 N2 O4 Si2 -","- C96 H108 N2 O4 Si2 -","- C96 H108 N2 O4 Si2 -","1","0.5","","Anne J. McNeil; Peter Müller; James E. Whitten; Timothy M. Swager","Conjugated Polymers in an Arene Sandwich","Journal of the American Chemical Society","2006","128","","12426","12427","10.1021/ja0648099","","","0.71073","MoKα","","0.0576","0.0489","","","0.1346","0.1427","","","","","","1.029","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110926","12.2073","0.0005","7.8184","0.0004","12.9408","0.0006","90","","91.258","0.003","90","","1234.79","0.1","100","","373","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O -","- C14 H14 Br N O -","- C56 H56 Br4 N4 O4 -","4","2","","Robert T. Yu; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2+2+2] Cycloaddition of Alkenyl Isocyanates and Terminal Alkynes: Application to the Total Synthesis of (+)-Lasubine II","Journal of the American Chemical Society","2006","128","","12370","12371","10.1021/ja064868m","","","0.71073","MoKα","","0.0722","0.035","","","0.0719","0.0811","","","","","","0.94","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110927","12.5864","0.0008","8.6454","0.0006","17.4451","0.0012","90","","100.668","0.004","90","","1865.5","0.2","100","","373","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O -","- C14 H14 Br N O -","- C84 H84 Br6 N6 O6 -","6","3","","Robert T. Yu; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2+2+2] Cycloaddition of Alkenyl Isocyanates and Terminal Alkynes: Application to the Total Synthesis of (+)-Lasubine II","Journal of the American Chemical Society","2006","128","","12370","12371","10.1021/ja064868m","","","0.71073","MoKα","","0.0482","0.0327","","","0.0806","0.0895","","","","","","0.744","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110928","7.2167","0.0001","8.1338","0.0002","7.0381","0.0002","90","","92.345","0.001","90","","412.785","0.017","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl H7 N2 O2 -","- Cl H7 N2 O2 -","- Cl4 H28 N8 O8 -","4","1","","Anthony J. Kirby; John E. Davies; Tiago A. S. Brandão; Pedro F. da Silva; Willian R. Rocha; Faruk Nome","Hydroxylamine as an Oxygen Nucleophile. Structure and Reactivity of Ammonia Oxide","Journal of the American Chemical Society","2006","128","","12374","12375","10.1021/ja065147q","","","0.71073","MoKα","","0.0272","0.0227","","","0.0558","0.0576","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110929","14.2376","0.0014","8.0308","0.0008","14.768","0.0015","90","","116.56","0.001","90","","1510.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 2-oxo-5,5-diphenyl-5,6-dihydropyridine-1(2H)-carboxylate","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Howard E. Zimmerman; Oleg D. Mitkin","Conical Intersection Control of Heterocyclic Photochemical Bond Scission1,2","Journal of the American Chemical Society","2006","128","","12743","12749","10.1021/ja061851v","","","0.71073","MoKα","","0.0422","0.0355","","","0.0909","0.0968","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110930","31.325","0.006","23.191","0.005","21.748","0.004","90","","128.604","0.003","90","","12347","4","153","","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C110 H90 N24 O25 Re6 S5 -","- C110 H78 N24 O25 Re6 S5 -","- C440 H312 N96 O100 Re24 S20 -","4","0.5","","Peter H. Dinolfo; Veaceslav Coropceanu; Jean-Luc Brédas; Joseph T. Hupp","A New Class of Mixed-Valence Systems with Orbitally Degenerate Organic Redox Centers. Examples Based on Hexa-Rhenium Molecular Prisms","Journal of the American Chemical Society","2006","128","","12592","12593","10.1021/ja0623764","","","0.71069","MoKα","","0.0787","0.0448","","","0.1056","0.1275","","","","","","1.034","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110931","13.046","0.002","13.046","0.002","36.506","0.012","90","","90","","120","","5381","2","293","2","293","2","","","","","","","","8","P 31","P 31","144","","","","- C75 H58 B F24 Ir N O P -","- C75 H58 B F24 Ir N O P -","- C225 H174 B3 F72 Ir3 N3 O3 P3 -","3","1","","Shou-Fei Zhu; Jian-Bo Xie; Yong-Zhen Zhang; Shen Li; Qi-Lin Zhou","Well-Defined Chiral Spiro Iridium/Phosphine-Oxazoline Cationic Complexes for Highly Enantioselective Hydrogenation of Imines at Ambient Pressure","Journal of the American Chemical Society","2006","128","","12886","12891","10.1021/ja063444p","","","0.71073","MoKα","","0.0696","0.0529","","","0.1064","0.1119","","","","","","1.101","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110932","13.888","0.004","20.666","0.006","25.416","0.008","90","","90","","90","","7295","4","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C75 H58 B F24 Ir N O P -","- C75 H58 B F24 Ir N O P -","- C300 H232 B4 F96 Ir4 N4 O4 P4 -","4","1","","Shou-Fei Zhu; Jian-Bo Xie; Yong-Zhen Zhang; Shen Li; Qi-Lin Zhou","Well-Defined Chiral Spiro Iridium/Phosphine-Oxazoline Cationic Complexes for Highly Enantioselective Hydrogenation of Imines at Ambient Pressure","Journal of the American Chemical Society","2006","128","","12886","12891","10.1021/ja063444p","","","0.71073","MoKα","","0.1235","0.0591","","","0.1219","0.1514","","","","","","1.028","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110933","9.708","0.005","13.803","0.008","18.973","0.01","90","","90","","90","","2542","2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Br N -","- C14 H14 Br N -","- C112 H112 Br8 N8 -","8","2","","Shou-Fei Zhu; Jian-Bo Xie; Yong-Zhen Zhang; Shen Li; Qi-Lin Zhou","Well-Defined Chiral Spiro Iridium/Phosphine-Oxazoline Cationic Complexes for Highly Enantioselective Hydrogenation of Imines at Ambient Pressure","Journal of the American Chemical Society","2006","128","","12886","12891","10.1021/ja063444p","","","0.71073","MoKα","","0.136","0.0396","","","0.0667","0.0894","","","","","","0.982","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110934","8.2906","0.001","8.6854","0.001","9.0243","0.0011","100.346","0.002","91.249","0.002","117.88","0.002","560.85","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C24 H26 N2 O6 -","2","1","","Ji Min Lee; Doo-Sik Ahn; Doo Young Jung; Junseung Lee; Youngkyu Do; Sang Kyu Kim; Sukbok Chang","Hydrogen-Bond-Directed Highly Stereoselective Synthesis of Z-Enamides via Pd-Catalyzed Oxidative Amidation of Conjugated Olefins","Journal of the American Chemical Society","2006","128","","12954","12962","10.1021/ja0639315","","","0.71073","MoKα","","0.0937","0.0467","","","0.1042","0.1223","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110935","12.65","0.07","8.84","0.03","10.87","0.05","90","","110.78","0.13","90","","1136","9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Ji Min Lee; Doo-Sik Ahn; Doo Young Jung; Junseung Lee; Youngkyu Do; Sang Kyu Kim; Sukbok Chang","Hydrogen-Bond-Directed Highly Stereoselective Synthesis of Z-Enamides via Pd-Catalyzed Oxidative Amidation of Conjugated Olefins","Journal of the American Chemical Society","2006","128","","12954","12962","10.1021/ja0639315","","","0.71073","MoKα","","0.2466","0.0929","","","0.2063","0.2623","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110936","8.427","0.0004","12.16","0.0005","16.837","0.0007","95.477","0.002","91.773","0.002","94.758","0.003","1710.22","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N-(2-tert-Butylphenyl)-N-(4-nitrophenyl)propanamide","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","2","","Osamu Kitagawa; Masatoshi Yoshikawa; Hajime Tanabe; Tomofumi Morita; Masashi Takahashi; Yasuo Dobashi; Takeo Taguchi","Highly Enantioselective Synthesis of Atropisomeric Anilide Derivatives through Catalytic Asymmetric N-Arylation: Conformational Analysis and Application to Asymmetric Enolate Chemistry","Journal of the American Chemical Society","2006","128","","12923","12931","10.1021/ja064026n","","","0.71073","MoKα","","0.0518","0.0417","","","0.1145","0.118","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110937","7.149","0.0003","16.931","0.0012","13.2","0.0009","90","","98.887","0.004","90","","1578.54","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(2-tert-Butylphenyl)-N-phenylpropanamide","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","2","","Osamu Kitagawa; Masatoshi Yoshikawa; Hajime Tanabe; Tomofumi Morita; Masashi Takahashi; Yasuo Dobashi; Takeo Taguchi","Highly Enantioselective Synthesis of Atropisomeric Anilide Derivatives through Catalytic Asymmetric N-Arylation: Conformational Analysis and Application to Asymmetric Enolate Chemistry","Journal of the American Chemical Society","2006","128","","12923","12931","10.1021/ja064026n","","x-ray","0.71073","MoKα","","0.0524","0.0422","","","0.0983","0.101","","","","","","0.949","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110938","3.82416","0.00012","3.82416","","29.3269","0.0012","90","","90","","90","","428.88","0.02","443","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Co0.75 Fe0.75 La0.5 O3.78 Sr1.5 -","- Co0.75 Fe0.75 La0.5 O3.777 Sr1.5 -","- Co3 Fe3 La2 O15.108 Sr6 -","4","0.125","","Amy Bowman; Mathieu Allix; Denis Pelloquin; Matthew J. Rosseinsky","Three-Coordinate Metal Centers in Extended Transition Metal Oxides","Journal of the American Chemical Society","2006","128","","12606","12607","10.1021/ja064083g","powder diffraction","neutron","1.8885","neutron","","","","","","","","0.07703","","1.03","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4110939","4.2862","0.0006","25.304","0.003","4.2883","0.0004","90","","90","","90","","465.1","0.1","","","300","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ho Te3 -","- Ho Te3 -","- Ho4 Te12 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0415","0.0415","","","0.1217","0.1217","","","","2.97","2.97","2.97","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110940","4.2772","0.0008","25.275","0.006","4.2787","0.0008","90","","90","","90","","462.55","0.16","","","300","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Er Te3 -","- Er Te3 -","- Er4 Te12 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0616","0.0591","","","0.1764","0.177","","","","3.73","3.73","3.62","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110941","4.2718","0.0005","25.19","0.003","4.2804","0.0007","90","","90","","90","","460.6","0.11","","","300","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Te3 Tm -","- Te3 Tm -","- Te12 Tm4 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0312","0.0312","","","0.1259","0.1259","","","","3.02","3.02","3.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110942","4.402","0.003","25.72","0.02","4.36","0.003","90","","90","","90","","493.6","0.6","","","500","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Nd Te3 -","- Nd Te3 -","- Nd4 Te12 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0249","0.0243","","","0.074","0.0741","","","","1.68","1.68","1.67","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110943","4.3343","0.0013","25.674","0.01","4.347","0.0015","90","","90","","90","","483.7","0.3","","","500","0.3","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Sm Te3 -","- Sm Te3 -","- Sm4 Te12 -","4","0.25","","Christos D. Malliakas; Mercouri G. Kanatzidis","Divergence in the Behavior of the Charge Density Wave inRETe3 (RE = Rare-Earth Element) with Temperature and RE Element","Journal of the American Chemical Society","2006","128","","12612","12613","10.1021/ja0641608","","","0.71073","MoKα","","0.0281","0.0269","","","0.0698","0.0701","","","","1.58","1.58","1.55","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110944","10.5531","0.0007","14.559","0.0011","16.1074","0.0014","80.593","0.007","76.37","0.007","88.287","0.006","2372.6","0.3","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C49 H30 Cl0 F12 N7.5 P2 Ru -","- C49 H30 F12 N7.5 P2 Ru -","- C98 H60 F24 N15 P4 Ru2 -","2","2","","Maria Abrahamsson; Michael Jäger; Tomas Österman; Lars Eriksson; Petter Persson; Hans-Christian Becker; Olof Johansson; Leif Hammarström","A 3.0 μs Room Temperature Excited State Lifetime of a Bistridentate RuII-Polypyridine Complex for Rod-like Molecular Arrays","Journal of the American Chemical Society","2006","128","","12616","12617","10.1021/ja064262y","","","0.7093","","","0.2258","0.068","","","0.1419","0.1733","","","","","","0.714","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110945","10.4063","0.0006","16.072","0.0006","10.7581","0.0006","90","","103.644","0.002","90","","1748.52","0.16","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C27 H38 Cl8 N2 Se Sn -","- C27 H38 Cl8 N2 Se Sn -","- C54 H76 Cl16 N4 Se2 Sn2 -","2","0.5","","Jason L. Dutton; Heikki M. Tuononen; Michael C. Jennings; Paul J. Ragogna","Extending the Series: Synthesis and Characterization of a Dicationic N-Heterocyclic Selenium Carbene Analogue","Journal of the American Chemical Society","2006","128","","12624","12625","10.1021/ja064381d","","","0.71073","MoKα","","0.0697","0.0469","","","0.1141","0.1249","","","","","","1.044","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110946","11.4709","0.0019","14.719","0.002","7.6744","0.0013","90","","102.248","0.002","90","","1266.3","0.3","141","2","141","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 I2 N4 U -","- C20 H32 I2 N4 U -","- C40 H64 I4 N8 U2 -","2","0.5","","Trevor W. Hayton; James M. Boncella; Brian L. Scott; Enrique R. Batista","Exchange of an Imido Ligand in Bis(imido) Complexes of Uranium","Journal of the American Chemical Society","2006","128","","12622","12623","10.1021/ja064400j","","","0.71073","MoKα","","0.0646","0.0385","","","0.0654","0.0723","","","","","","1.026","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110947","10.2898","0.0015","11.3121","0.0016","21.958","0.003","90","","98.998","0.002","90","","2524.4","0.6","141","2","141","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 I2 N3 O2 U -","- C20 H31 I2 N3 O2 U -","- C80 H124 I8 N12 O8 U4 -","4","1","","Trevor W. Hayton; James M. Boncella; Brian L. Scott; Enrique R. Batista","Exchange of an Imido Ligand in Bis(imido) Complexes of Uranium","Journal of the American Chemical Society","2006","128","","12622","12623","10.1021/ja064400j","","","0.71073","MoKα","","0.062","0.0343","","","0.0685","0.0759","","","","","","1.034","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110948","10.4687","0.001","19.2378","0.0019","21.236","0.002","93.174","0.002","95.153","0.002","93.134","0.002","4245.3","0.7","141","2","141","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H46 I2 N O3 P2 U -","- C40 H39 I2 N O3 P2 U -","- C160 H156 I8 N4 O12 P8 U4 -","4","2","","Trevor W. Hayton; James M. Boncella; Brian L. Scott; Enrique R. Batista","Exchange of an Imido Ligand in Bis(imido) Complexes of Uranium","Journal of the American Chemical Society","2006","128","","12622","12623","10.1021/ja064400j","","","0.71073","MoKα","","0.1031","0.0569","","","0.128","0.1431","","","","","","0.968","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110949","13.0789","0.0013","14.9759","0.0015","20.744","0.002","90","","90","","90","","4063.1","0.7","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H56 B La -","- C50 H56 B La -","- C200 H224 B4 La4 -","4","1","","Hiyam Hamaed; Andy Y. H. Lo; David S. Lee; William J. Evans; Robert W. Schurko","Solid-State 139La and 15N NMR Spectroscopy of Lanthanum-Containing Metallocenes","Journal of the American Chemical Society","2006","128","","12638","12639","10.1021/ja0645180","","","0.71073","MoKα","","0.0249","0.0203","","","0.0481","0.0519","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110950","10.553","0.005","16.745","0.006","12.475","0.004","90","","107.416","0.016","90","","2103.4","1.4","136","2","136","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C47 H52 Au2 N2 O9 P2 -","- C47 H52 Au2 N2 O9 P2 -","- C94 H104 Au4 N4 O18 P4 -","2","1","","Andrea Deák; Tünde Megyes; Gábor Tárkányi; Péter Király; László Biczók; Gábor Pálinkás; Peter J. Stang","Synthesis and Solution- and Solid-State Characterization of Gold(I) Rings with Short Au...Au Interactions. Spontaneous Resolution of a Gold(I) Complex","Journal of the American Chemical Society","2006","128","","12668","12670","10.1021/ja064609x","","","0.7107","MoKα","","0.0495","0.0449","","","0.0997","0.1038","","","","","","1.066","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110951","28.183","0.007","18.296","0.004","18.923","0.004","90","","121.486","0.008","90","","8321","3","134","2","134","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H80 Au2 Cl8 N2 O12 P4 -","- C82 H80 Au2 Cl8 N2 O12 P4 -","- C328 H320 Au8 Cl32 N8 O48 P16 -","4","0.5","","Andrea Deák; Tünde Megyes; Gábor Tárkányi; Péter Király; László Biczók; Gábor Pálinkás; Peter J. Stang","Synthesis and Solution- and Solid-State Characterization of Gold(I) Rings with Short Au...Au Interactions. Spontaneous Resolution of a Gold(I) Complex","Journal of the American Chemical Society","2006","128","","12668","12670","10.1021/ja064609x","","","0.7107","MoKα","","0.0377","0.0306","","","0.0624","0.0675","","","","","","1.041","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110952","11.657","0.0007","15.466","0.001","15.86","0.001","62.647","0.003","76.458","0.003","89.571","0.003","2452.4","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H60 Cl N5 O5 S2 -","- C49 H54 Cl N5 O5 S2 -","- C98 H108 Cl2 N10 O10 S4 -","2","1","","Jonathan L. Sessler; Dong-Gyu Cho; Marcin Stępień; Vincent Lynch; Jacek Waluk; Zin Seok Yoon; Dongho Kim","Inverted Sapphyrin: A New Family of Doubly N-Confused Expanded Porphyrins","Journal of the American Chemical Society","2006","128","","12640","12641","10.1021/ja064675z","","","0.71073","MoKα","","0.172","0.0784","","","0.1574","0.1772","","","","","","1.152","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110953","11.099","0.002","20.496","0.004","14.776","0.003","90","","103.88","0.02","90","","3263.2","1.1","299","","","","","","","","","","Local laboratory","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 N O3 S Si2 -","- C31 H43 N O3 S Si2 -","- C124 H172 N4 O12 S4 Si8 -","4","1","","Per Restorp; Andreas Fischer; Peter Somfai","Stereoselective Synthesis of Functionalized Pyrrolidines via a [3 + 2]-Annulation of N-Ts-α-Amino Aldehydes and 1,3-Bis(silyl)propenes","Journal of the American Chemical Society","2006","128","","12646","12647","10.1021/ja0647102","","","0.71073","MoKα","","0.1636","0.0846","","","0.1283","0.1644","","","","","","1.214","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110954","11.2946","0.0008","12.0512","0.0008","15.9865","0.0011","69.859","0.001","73.131","0.001","71.126","0.001","1893.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H37 I O P2 Pd -","- C45 H37 I O P2 Pd -","- C90 H74 I2 O2 P4 Pd2 -","2","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.0294","0.0235","","","0.0558","0.0585","","","","","","1.03","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110955","11.3897","0.0008","11.2044","0.0008","28.4508","0.0019","90","","96.773","0.001","90","","3605.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H37 F O P2 Pd -","- C45 H37 F O P2 Pd -","- C180 H148 F4 O4 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.0482","0.0325","","","0.0722","0.0786","","","","","","1.022","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110956","15.9076","0.0015","9.1883","0.0009","32.968","0.003","90","","94.173","0.002","90","","4806","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H52 F O P2 Pd -","- C60 H52 F O P2 Pd -","- C240 H208 F4 O4 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.067","0.0409","","","0.0822","0.0916","","","","","","1.041","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110957","11.6282","0.001","12.3479","0.001","14.1823","0.0013","100.989","0.002","92.266","0.002","105.52","0.001","1917.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H37 F3 O P2 Pd -","- C46 H37 F3 O P2 Pd -","- C92 H74 F6 O2 P4 Pd2 -","2","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.0656","0.048","","","0.1121","0.1195","","","","","","1.109","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110958","35.993","0.003","9.4686","0.0008","23.5159","0.0019","90","","95.142","0.001","90","","7982","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H38 Cl F3 O P2 Pd -","- C47 H37 Cl F3 O P2 Pd -","- C376 H296 Cl8 F24 O8 P16 Pd8 -","8","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.0589","0.0382","","","0.084","0.0949","","","","","","1.018","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110959","16.333","0.002","10.5069","0.0014","21.475","0.003","90","","98.083","0.002","90","","3648.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 F3 P2 Pd -","- C43 H35 F3 P2 Pd -","- C172 H140 F12 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.0502","0.0342","","","0.0732","0.0807","","","","","","1.061","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110960","14.3668","0.0006","15.0433","0.0007","18.6978","0.0008","90","","104.18","0.0008","90","","3917.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.67 H35 F8 I0.33 P2 Pd -","- C44.6658 H35 F7.9974 I0.3342 P2 Pd -","- C178.663 H140 F31.9896 I1.3368 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.038","0.031","","","0.0759","0.0797","","","","","","1.019","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110961","10.3864","0.0011","13.3088","0.0014","14.5812","0.0015","99.118","0.002","90.04","0.001","97.945","0.001","1970.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45.5 H38 F3 I O P2 Pd -","- C45.9605 H38 F3 I1.0395 O P2 Pd -","- C91.921 H76 F6 I2.079 O2 P4 Pd2 -","2","1","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.0414","0.0317","","","0.0846","0.0923","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110962","17.7357","0.0013","18.2365","0.0013","18.8081","0.0013","90","","97.152","0.002","90","","6035.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H64 O2 P4 Pd -","- C78 H64 O2 P4 Pd -","- C312 H256 O8 P16 Pd4 -","4","0.5","","Vladimir V. Grushin; William J. Marshall","Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]","Journal of the American Chemical Society","2006","128","","12644","12645","10.1021/ja064935c","","","0.71073","MoKα","","0.0532","0.0379","","","0.0897","0.098","","","","","","1.024","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110963","6.8752","0.0003","7.0092","0.0003","8.7362","0.0003","81.798","0.002","69.646","0.002","85.723","0.002","390.53","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C Al Cl4 Cu O -","- C Al Cl4 Cu O -","- C2 Al2 Cl8 Cu2 O2 -","2","1","","Michael D. Capracotta; Roger M. Sullivan; James D. Martin","Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene","Journal of the American Chemical Society","2006","128","","13463","13473","10.1021/ja063172q","","","0.71073","MoKα","","0.0436","0.0341","","","0.0941","0.0978","","","","","","1.115","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110964","5.4119","0.0004","5.4119","","10.2007","0.0017","90","","90","","90","","298.76","0.05","288","","288","","","","","","","","","3","P -4 2 c","P -4 2c","112","","","","- Cl4 Cu Ga -","- Cl4 Cu Ga -","- Cl8 Cu2 Ga2 -","2","0.25","","Michael D. Capracotta; Roger M. Sullivan; James D. Martin","Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene","Journal of the American Chemical Society","2006","128","","13463","13473","10.1021/ja063172q","powder diffraction","x-ray","0.92137","","","","","","","","","0.39704","","30.81","","","","","","","has coordinates,has Fobs","178880","2020-10-21","18:00:00",""
"4110965","6.8769","0.001","7.0155","0.0011","8.7594","0.0016","80.998","0.018","69.454","0.013","85.731","0.018","390.75","0.12","","","288","","","","","","","","","5","P -1","-P 1","2","","","","- C Cl4 Cu Ga O -","- C Cl4 Cu Ga O -","- C2 Cl8 Cu2 Ga2 O2 -","2","1","","Michael D. Capracotta; Roger M. Sullivan; James D. Martin","Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene","Journal of the American Chemical Society","2006","128","","13463","13473","10.1021/ja063172q","powder diffraction","x-ray","0.92137","","","","","","","","","0.39704","","30.81","","","","","","","has coordinates,has Fobs","178880","2020-10-21","18:00:00",""
"4110966","12.6185","0.0002","21.3367","0.0003","10.431","0.0001","90","","90","","90","","2808.41","0.07","173","1","173","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H40 Cl2 Fe N2 -","- C28 H40 Cl2 Fe N2 -","- C112 H160 Cl8 Fe4 N8 -","4","0.5","","Gwendal Kervern; Guido Pintacuda; Yong Zhang; Eric Oldfield; Charbel Roukoss; Emile Kuntz; Eberhardt Herdtweck; Jean-Marie Basset; Sylvian Cadars; Anne Lesage; Christophe Copéret; Lyndon Emsley","Solid-State NMR of a Paramagnetic DIAD-FeII Catalyst: Sensitivity, Resolution Enhancement, and Structure-Based Assignments","Journal of the American Chemical Society","2006","128","","13545","13552","10.1021/ja063510n","","","0.71073","MoKα","","0.0358","0.033","","","0.0704","0.0716","","","","","","1.167","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110967","14.698","0.005","19.752","0.006","20.37","0.007","96.911","0.009","110.227","0.009","111.428","0.009","4955","3","137","2","137","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H63.5 Br2 N2 O10 -","- C49.5 H63.5 Br2 N2 O10 -","- C198 H254 Br8 N8 O40 -","4","2","","Andrzej Rajca; Sumit Mukherjee; Maren Pink; Suchada Rajca","Exchange Coupling Mediated Through-Bonds and Through-Space in Conformationally Constrained Polyradical Scaffolds: Calix[4]arene Nitroxide Tetraradicals and Diradical","Journal of the American Chemical Society","2006","128","","13497","13507","10.1021/ja063567+","","","0.71073","MoKα","","0.0885","0.0483","","","0.1085","0.1257","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110968","14.92","0.004","35.167","0.009","10.593","0.003","90","","100.379","0.007","90","","5467","3","137","2","137","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H80 N4 O12 -","- C56 H80 N4 O12 -","- C224 H320 N16 O48 -","4","1","","Andrzej Rajca; Sumit Mukherjee; Maren Pink; Suchada Rajca","Exchange Coupling Mediated Through-Bonds and Through-Space in Conformationally Constrained Polyradical Scaffolds: Calix[4]arene Nitroxide Tetraradicals and Diradical","Journal of the American Chemical Society","2006","128","","13497","13507","10.1021/ja063567+","","","0.71073","MoKα","","0.0668","0.0461","","","0.1141","0.1276","","","","","","1.019","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4110969","14.9396","0.0008","16.2602","0.001","13.6584","0.0007","90","","106.317","0.003","90","","3184.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 Fe N3 -","- C37 H49 Fe N3 -","- C148 H196 Fe4 N12 -","4","1","","Bouwkamp, Marco W.; Bowman, Amanda C.; Lobkovsky, Emil; Chirik, Paul J.","Iron-Catalyzed [2π + 2π] Cycloaddition of α,ω-Dienes: The Importance of Redox-Active Supporting Ligands","Journal of the American Chemical Society","2006","128","41","13340","13341","10.1021/ja064711u","","","0.71073","MoKα","","0.051","0.0349","","","0.0915","0.0999","","","","","","1.027","","","","has coordinates","218369","2020-10-21","18:00:00",""
"4110970","11.0307","0.0018","14.88","0.003","25.262","0.006","85.5","0.008","83.981","0.009","70.737","0.009","3888.5","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H54 Fe N4 -","- C39 H54 Fe N4 -","- C156 H216 Fe4 N16 -","4","2","","Bouwkamp, Marco W.; Bowman, Amanda C.; Lobkovsky, Emil; Chirik, Paul J.","Iron-Catalyzed [2π + 2π] Cycloaddition of α,ω-Dienes: The Importance of Redox-Active Supporting Ligands","Journal of the American Chemical Society","2006","128","41","13340","13341","10.1021/ja064711u","","","0.71073","MoKα","","0.0986","0.0581","","","0.1371","0.1495","","","","","","0.999","","","","has coordinates","218370","2020-10-21","18:00:00",""
"4110971","13.854","0.018","21.04","0.02","18.74","0.03","90","","93.21","0.08","90","","5454","12","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H94 N2 P Ti -","- C58 H94 N2 P Ti -","- C232 H376 N8 P4 Ti4 -","4","1","","Guangyu Zhao; Falguni Basuli; Uriah J. Kilgore; Hongjun Fan; Halikhedkar Aneetha; John C. Huffman; Gang Wu; Daniel J. Mindiola","Neutral and Zwitterionic Low-Coordinate Titanium Complexes Bearing the Terminal Phosphinidene Functionality. Structural, Spectroscopic, Theoretical, and Catalytic Studies Addressing the Ti-P Multiple Bond","Journal of the American Chemical Society","2006","128","","13575","13585","10.1021/ja064853o","","","0.71073","MoKα","","0.0815","0.0426","","","0.0658","0.0735","","","","","","0.797","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110972","11.104","0.002","21.191","0.004","21.135","0.004","90","","102.302","0.005","90","","4859","1.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H79 N2 P Ti -","- C51 H79 N2 P Ti -","- C204 H316 N8 P4 Ti4 -","4","1","","Guangyu Zhao; Falguni Basuli; Uriah J. Kilgore; Hongjun Fan; Halikhedkar Aneetha; John C. Huffman; Gang Wu; Daniel J. Mindiola","Neutral and Zwitterionic Low-Coordinate Titanium Complexes Bearing the Terminal Phosphinidene Functionality. Structural, Spectroscopic, Theoretical, and Catalytic Studies Addressing the Ti-P Multiple Bond","Journal of the American Chemical Society","2006","128","","13575","13585","10.1021/ja064853o","","","0.71073","MoKα","","0.0815","0.0442","","","0.0977","0.1097","","","","","","0.911","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110973","14.5495","0.001","20.0614","0.0014","24.8462","0.0017","90","","90.677","0.002","90","","7251.7","0.9","119","2","119","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H85 B F16.57 N2 P Ti -","- C78 H84 B F16.574 N2 P Ti -","- C312 H336 B4 F66.296 N8 P4 Ti4 -","4","1","","Guangyu Zhao; Falguni Basuli; Uriah J. Kilgore; Hongjun Fan; Halikhedkar Aneetha; John C. Huffman; Gang Wu; Daniel J. Mindiola","Neutral and Zwitterionic Low-Coordinate Titanium Complexes Bearing the Terminal Phosphinidene Functionality. Structural, Spectroscopic, Theoretical, and Catalytic Studies Addressing the Ti-P Multiple Bond","Journal of the American Chemical Society","2006","128","","13575","13585","10.1021/ja064853o","","","0.71073","MoKα","","0.0666","0.0367","","","0.0846","0.0942","","","","","","0.935","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110974","9.0548","0.0005","14.5893","0.0007","15.6973","0.0008","84.429","0.002","83.604","0.002","79.376","0.002","2019.2","0.18","100","2","100","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C27 H63 Mg2 N3 O Si6 -","- C27 H63 Mg2 N3 O Si6 -","- C54 H126 Mg4 N6 O2 Si12 -","2","1","","Xuyang He; J. Jacob Morris; Bruce C. Noll; Seth N. Brown; Kenneth W. Henderson","Kinetics and Mechanism of Ketone Enolization Mediated by Magnesium Bis(hexamethyldisilazide)","Journal of the American Chemical Society","2006","128","","13599","13610","10.1021/ja064927w","","x-ray","0.71073","MoKα","","0.0493","0.0377","","","0.0994","0.1106","","","","","","1.108","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110975","21.135","0.003","8.3722","0.001","37.287","0.005","90","","93.029","0.002","90","","6588.6","1.5","100","2","100","2","","","","","","","synthesized","6","C 1 2/c 1","-C 2yc","15","Mg(HMDS)~2~ Pivalone","","","- C21 H54 Mg N2 O Si4 -","- C21 H54 Mg N2 O Si4 -","- C168 H432 Mg8 N16 O8 Si32 -","8","1","","Xuyang He; J. Jacob Morris; Bruce C. Noll; Seth N. Brown; Kenneth W. Henderson","Kinetics and Mechanism of Ketone Enolization Mediated by Magnesium Bis(hexamethyldisilazide)","Journal of the American Chemical Society","2006","128","","13599","13610","10.1021/ja064927w","","x-ray","0.71073","MoKα","","0.0908","0.0851","","","0.199","0.2021","","","","","","1.291","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110976","8.3655","0.0002","20.6214","0.0006","18.7658","0.0005","90","","100.694","0.001","90","","3181.03","0.15","100","2","100","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","Mg(HMDS)2 Pivalophenone","","","- C23 H50 Mg N2 O Si4 -","- C23 H50 Mg N2 O Si4 -","- C92 H200 Mg4 N8 O4 Si16 -","4","1","","Xuyang He; J. Jacob Morris; Bruce C. Noll; Seth N. Brown; Kenneth W. Henderson","Kinetics and Mechanism of Ketone Enolization Mediated by Magnesium Bis(hexamethyldisilazide)","Journal of the American Chemical Society","2006","128","","13599","13610","10.1021/ja064927w","","x-ray","0.71073","MoKα","","0.0389","0.0286","","","0.0734","0.0791","","","","","","1.028","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110977","13.1358","0.0007","14.8678","0.0007","26.791","0.007","90","","97.487","0.01","90","","5187.7","1.4","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H20 Br F3 N2 O3 -","- C30 H20 Br F3 N2 O3 -","- C240 H160 Br8 F24 N16 O24 -","8","2","","Ciby J. Abraham; Daniel H. Paull; Michael T. Scerba; James W. Grebinski; Thomas Lectka","Catalytic, Enantioselective Bifunctional Inverse Electron Demand Hetero-Diels-Alder Reactions of Ketene Enolates and o-Benzoquinone Diimides","Journal of the American Chemical Society","2006","128","","13370","13371","10.1021/ja065754d","","","0.71073","","","0.0829","0.0456","","","0.0522","0.0567","","","","","","0.911","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110978","15.1342","0.0019","10.6675","0.0015","19.582","0.002","90","","101.9","0.01","90","","3093.5","0.7","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H29 Br N2 O4 -","- C36 H25 Br N2 O4 -","- C144 H100 Br4 N8 O16 -","4","2","","Ciby J. Abraham; Daniel H. Paull; Michael T. Scerba; James W. Grebinski; Thomas Lectka","Catalytic, Enantioselective Bifunctional Inverse Electron Demand Hetero-Diels-Alder Reactions of Ketene Enolates and o-Benzoquinone Diimides","Journal of the American Chemical Society","2006","128","","13370","13371","10.1021/ja065754d","","","0.71073","","","0.0858","0.048","","","0.1003","0.1069","","","","","","0.952","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110979","30.924","0.015","11.069","0.005","17.077","0.008","90","","116.153","0.013","90","","5247","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H68 Al2 N2 O6 -","- C61 H60 Al2 N2 O6 -","- C244 H240 Al8 N8 O24 -","4","0.5","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0955","0.072","","","0.2064","0.225","","","","","","1.058","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110980","9.3865","0.0016","17.609","0.003","16.824","0.003","90","","97.377","0.003","90","","2757.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 Al N O4 -","- C31 H38 Al N O4 -","- C124 H152 Al4 N4 O16 -","4","1","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0622","0.0462","","","0.1241","0.1389","","","","","","1.024","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110981","11.7638","0.0015","11.7638","0.0015","11.7638","0.0015","76.338","0.002","76.338","0.002","76.338","0.002","1508.8","0.3","183","2","183","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C34 H36 Al N O4 -","- C33.93 H30 Al N O4 -","- C67.86 H60 Al2 N2 O8 -","2","0.333333","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0659","0.0528","","","0.1396","0.1513","","","","","","1.056","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4110982","10.631","0.003","12.816","0.003","13.411","0.004","71.575","0.004","71.114","0.004","81.389","0.005","1637.9","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38 Al N3 O3 -","- C35 H38 Al N3 O3 -","- C70 H76 Al2 N6 O6 -","2","1","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0827","0.0599","","","0.1629","0.1793","","","","","","1.032","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110983","13.024","0.006","18.322","0.008","20.516","0.01","90","","96.352","0.009","90","","4866","4","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H71 Al Cl2 N5 O4 P -","- C49 H71 Al Cl2 N5 O4 P -","- C196 H284 Al4 Cl8 N20 O16 P4 -","4","1","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0978","0.0727","","","0.1808","0.1999","","","","","","1.064","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110984","13.35","0.005","14.565","0.006","15.156","0.006","73.818","0.006","68.657","0.006","79.926","0.006","2627.2","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H72 Al2 N2 O8 -","- C61 H72 Al2 N2 O8 -","- C122 H144 Al4 N4 O16 -","2","1","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0899","0.0579","","","0.1401","0.1599","","","","","","1.04","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110985","18.433","0.007","19.237","0.007","22.352","0.009","104.229","0.007","106.203","0.007","104.718","0.007","6920","5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H134 Al6 N4 O22 -","- C108 H120 Al6 N4 O22 -","- C216 H240 Al12 N8 O44 -","2","1","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.1649","0.1062","","","0.295","0.3467","","","","","","1.167","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110986","37.345","0.011","18.611","0.005","26.234","0.007","90","","134.62","0.01","90","","12978","7","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H134 Al6 N4 O22 -","- C108 H134 Al6 N4 O22 -","- C432 H536 Al24 N16 O88 -","4","0.5","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0929","0.071","","","0.2183","0.2489","","","","","","1.059","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110987","27.854","0.01","25.16","0.008","18.562","0.008","90","","90","","90","","13008","8","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C120 H160 Al6 Cl12 N4 O22 -","- C120 H160 Al6 Cl12 N4 O22 -","- C480 H640 Al24 Cl48 N16 O88 -","4","0.5","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0791","0.0692","","","0.1816","0.1898","","","","","","1.041","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4110988","13.6327","0.0018","10.4005","0.0013","26.417","0.003","90","","101.221","0.011","90","","3674","0.8","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Cl2 N2 O5 Ru -","- C36 H46 Cl2 N2 O5 Ru -","- C144 H184 Cl8 N8 O20 Ru4 -","4","1","","Michał Bieniek; Robert Bujok; Maciej Cabaj; Noël Lugan; Guy Lavigne; Dieter Arlt; Karol Grela","Advanced Fine-Tuning of Grubbs/Hoveyda Olefin Metathesis Catalysts: A Further Step toward an Optimum Balance between Antinomic Properties","Journal of the American Chemical Society","2006","128","","13652","13653","10.1021/ja063186w","","x-ray","0.71073","MoKα","","0.155","0.0544","","","0.0806","0.1019","","","","","","0.82","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110989","7.537","0.001","15.69","0.002","12.4552","0.0016","90","","100.987","0.003","90","","1445.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O2 S2 -","- C17 H18 O2 S2 -","- C68 H72 O8 S8 -","4","1","","Kurt M. Knoblock; Catherine J. Silvestri; David M. Collard","Stacked Conjugated Oligomers as Molecular Models to Examine Interchain Interactions in Conjugated Materials","Journal of the American Chemical Society","2006","128","","13680","13681","10.1021/ja063312w","","","0.71073","MoKα","","0.0844","0.0638","","","0.132","0.1411","","","","","","1.034","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110990","7.1855","0.001","14.852","0.002","25.812","0.004","90","","90","","90","","2754.6","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Br3 N O5 -","- C30 H24 Br3 N O5 -","- C120 H96 Br12 N4 O20 -","4","1","","Weston R. Judd; Sooho Ban; Jeffrey Aubé","Remote Control of Diastereoselectivity in Intramolecular Reactions of Chiral Allylsilanes","Journal of the American Chemical Society","2006","128","","13736","13741","10.1021/ja063411+","","","0.71073","MoKα","","0.0375","0.0326","","","0.0749","0.0768","","","","","","1.016","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110991","11.283","0.002","6.6888","0.0012","13.937","0.002","90","","105.355","0.003","90","","1014.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Br N2 O5 -","- C22 H21 Br N2 O5 -","- C44 H42 Br2 N4 O10 -","2","1","","Weston R. Judd; Sooho Ban; Jeffrey Aubé","Remote Control of Diastereoselectivity in Intramolecular Reactions of Chiral Allylsilanes","Journal of the American Chemical Society","2006","128","","13736","13741","10.1021/ja063411+","","","0.71073","MoKα","","0.0666","0.0488","","","0.1064","0.1129","","","","","","0.976","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110992","21.28","0.009","26.196","0.009","8.466","0.003","90","","100.593","0.012","90","","4639","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H26 Br N2 O5.5 -","- C25 H26 Br N2 O5.5 -","- C200 H208 Br8 N16 O44 -","8","2","","Weston R. Judd; Sooho Ban; Jeffrey Aubé","Remote Control of Diastereoselectivity in Intramolecular Reactions of Chiral Allylsilanes","Journal of the American Chemical Society","2006","128","","13736","13741","10.1021/ja063411+","","","0.71073","MoKα","","0.1231","0.1119","","","0.2853","0.2938","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110993","7.844","0.002","5.937","0.002","16.194","0.004","90","","94.188","0.006","90","","752.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O3 -","- C16 H18 Br N O3 -","- C32 H36 Br2 N2 O6 -","2","1","","Weston R. Judd; Sooho Ban; Jeffrey Aubé","Remote Control of Diastereoselectivity in Intramolecular Reactions of Chiral Allylsilanes","Journal of the American Chemical Society","2006","128","","13736","13741","10.1021/ja063411+","","","0.71073","MoKα","","0.0471","0.0446","","","0.1231","0.1258","","","","","","1.03","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110994","10.973","0.002","10.973","0.002","5.23","0.0019","90","","90","","120","","545.4","0.2","150","2","150","2","","","","","","","","6","P 3","P 3","143","","","","- C12 H24 Ag Cl2 O8 S6 -","- C12 H24 Ag Cl2 O7.99 S6 -","- C12 H24 Ag Cl2 O7.99 S6 -","1","0.333333","","Jennifer L. Shaw; Joanna Wolowska; David Collison; Judith A. K. Howard; Eric J. L. McInnes; Jonathan McMaster; Alexander J. Blake; Claire Wilson; Martin Schröder","Redox Non-innocence of Thioether Macrocycles: Elucidation of the Electronic Structures of Mononuclear Complexes of Gold(II) and Silver(II)","Journal of the American Chemical Society","2006","128","","13827","13839","10.1021/ja0636439","","","0.71073","MoKα","","0.0764","0.0723","","","0.17","0.1734","","","","","","1.202","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110995","10.851","0.002","10.851","0.002","5.186","0.002","90","","90","","120","","528.8","0.2","30","2","30","2","","","","","","","","6","P 3","P 3","143","","","","- C12 H24 Ag Cl2 O8 S6 -","- C12 H24 Ag Cl2 O8 S6 -","- C12 H24 Ag Cl2 O8 S6 -","1","0.333333","","Jennifer L. Shaw; Joanna Wolowska; David Collison; Judith A. K. Howard; Eric J. L. McInnes; Jonathan McMaster; Alexander J. Blake; Claire Wilson; Martin Schröder","Redox Non-innocence of Thioether Macrocycles: Elucidation of the Electronic Structures of Mononuclear Complexes of Gold(II) and Silver(II)","Journal of the American Chemical Society","2006","128","","13827","13839","10.1021/ja0636439","","","0.71073","MoKα","","0.0566","0.0406","","","0.0868","0.0916","","","","","","0.948","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110996","8.3707","0.0005","10.4102","0.0006","11.8772","0.0007","104.867","0.001","96.525","0.001","106.203","0.001","941.28","0.1","100","2","373","2","","","","","","","","5","P -1","-P 1","2","Re(bpy-COOH)(CO)3CN","(4-methyl-2,2'-bipyridine-4'-carboxylic acid)(tricarbonyl)(cyano)rhenium(i)","","- C17 H14 N3 O6 Re -","- C17 H14 N3 O6 Re -","- C34 H28 N6 O12 Re2 -","2","1","","Steven Y. Reece; Mohammad R. Seyedsayamdost; JoAnne Stubbe; Daniel G. Nocera","Electron Transfer Reactions of Fluorotyrosyl Radicals","Journal of the American Chemical Society","2006","128","","13654","13655","10.1021/ja0636688","","","0.71073","MoKα","","0.0327","0.0297","","","0.0743","0.0759","","","","","","1.055","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110997","8.862","0.003","16.292","0.004","20.09","0.006","99.987","0.016","97.99","0.02","99.916","0.019","2771","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H62 La N15 O S7 -","- C39 H62 La N15 O S7 -","- C78 H124 La2 N30 O2 S14 -","2","1","","Peter Nockemann; Ben Thijs; Niels Postelmans; Kristof Van Hecke; Luc Van Meervelt; Koen Binnemans","Anionic Rare-Earth Thiocyanate Complexes as Building Blocks for Low-Melting Metal-Containing Ionic Liquids","Journal of the American Chemical Society","2006","128","","13658","13659","10.1021/ja0640391","","","1.54178","CuKα","","0.0757","0.0662","","","0.1729","0.1809","","","","","","1.013","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110998","14.895","0.003","14.726","0.003","12.133","0.002","90","","97.26","0.03","90","","2640","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H43 B N2 Ru2 -","- C28 H43 B N2 Ru2 -","- C112 H172 B4 N8 Ru8 -","4","0.5","","Jaclyn M. Murphy; Joshua D. Lawrence; Kazumori Kawamura; Christopher Incarvito; John F. Hartwig","Ruthenium-Catalyzed Regiospecific Borylation of Methyl C-H Bonds","Journal of the American Chemical Society","2006","128","","13684","13685","10.1021/ja064092p","","","0.71073","MoKα","","0.082","0.0426","","","0.0842","0.094","","","","","","0.999","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110999","9.9734","0.0003","24.3803","0.0007","16.6163","0.0004","90","","90","","90","","4040.33","0.19","173","2","173","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C19 H37 N2 P -","- C19 H37 N2 P -","- C152 H296 N16 P8 -","8","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0823","0.0557","","","0.1356","0.1534","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111000","14.3934","0.0002","9.6078","0.0002","17.3407","0.0003","90","","100.495","0.001","90","","2357.91","0.07","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","[Ph2P(S){C(Ncy)(NHcy)}]","","","- C25 H33 N2 P S -","- C25 H33 N2 P S -","- C100 H132 N8 P4 S4 -","4","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0435","0.0352","","","0.0823","0.0865","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111001","8.8687","0.0001","9.6892","0.0001","14.991","0.0002","82.172","0.001","82.934","0.001","69.345","0.001","1190.24","0.03","223","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[SePPh2C(NHC6H11)(NC6H11)]","","","- C25 H33 N2 P Se -","- C25 H33 N2 P Se -","- C50 H66 N4 P2 Se2 -","2","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0298","0.0253","","","0.0564","0.0585","","","","","","1.04","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111002","8.9912","0.0003","10.01","0.0003","12.4892","0.0005","77.228","0.002","77.769","0.002","76.842","0.002","1051.9","0.06","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H37 N2 P S -","- C19 H37 N2 P S -","- C38 H74 N4 P2 S2 -","2","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0502","0.0373","","","0.0829","0.0891","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111003","8.935","0.0003","10.0808","0.0003","12.5565","0.0004","77.397","0.002","78.02","0.002","77.321","0.002","1061.57","0.06","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H37 N2 P Se -","- C19 H37 N2 P Se -","- C38 H74 N4 P2 Se2 -","2","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0357","0.0291","","","0.0646","0.067","","","","","","1.04","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111004","9.9173","0.0002","10.1444","0.0003","14.1035","0.0004","105.398","0.001","97.112","0.001","104.885","0.001","1293.67","0.06","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C25 H45 N2 P Se -","- C25 H45 N2 P Se -","- C50 H90 N4 P2 Se2 -","2","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0386","0.0302","","","0.0705","0.0747","","","","","","0.944","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111005","9.1464","0.0004","15.3363","0.0004","17.7735","0.0007","90","","104.714","0.002","90","","2411.36","0.16","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 B N2 P -","- C25 H36 B N2 P -","- C100 H144 B4 N8 P4 -","4","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0679","0.0452","","","0.0939","0.1043","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111006","7.536","0.005","9.322","0.005","13.574","0.006","90","","90.09","0.02","90","","953.6","0.9","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C42 H50 N2 O8 S2 -","2","1","","Kyoji Tsuchikama; Yusuke Kuwata; Takanori Shibata","Highly Enantioselective Construction of a Chiral Spirocyclic Structure by the [2 + 2 + 2] Cycloaddition of Diynes andexo-Methylene Cyclic Compounds","Journal of the American Chemical Society","2006","128","","13686","13687","10.1021/ja064257u","","","0.71075","MoKα","","","0.0448","","","","0.1239","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111007","8.556","0.0007","8.8969","0.0008","22.528","0.002","86.487","0.003","84.879","0.003","69.785","0.003","1602","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H43 Fe N3 O2 -","- C35 H43 Fe N3 O2 -","- C70 H86 Fe2 N6 O4 -","2","1","","Suzanne C. Bart; Krzysztof Chłopek; Eckhard Bill; Marco W. Bouwkamp; Emil Lobkovsky; Frank Neese; Karl Wieghardt; Paul J. Chirik","Electronic Structure of Bis(imino)pyridine Iron Dichloride, Monochloride, and Neutral Ligand Complexes: A Combined Structural, Spectroscopic, and Computational Study","Journal of the American Chemical Society","2006","128","","13901","13912","10.1021/ja064557b","","","0.71073","MoKα","","0.0524","0.0373","","","0.0867","0.0917","","","","","","1.037","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111008","11.7778","0.0009","17.6175","0.0014","17.5886","0.0014","90","","94.791","0.003","90","","3636.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 Fe N5 -","- C40 H53 Fe N5 -","- C160 H212 Fe4 N20 -","4","1","","Suzanne C. Bart; Krzysztof Chłopek; Eckhard Bill; Marco W. Bouwkamp; Emil Lobkovsky; Frank Neese; Karl Wieghardt; Paul J. Chirik","Electronic Structure of Bis(imino)pyridine Iron Dichloride, Monochloride, and Neutral Ligand Complexes: A Combined Structural, Spectroscopic, and Computational Study","Journal of the American Chemical Society","2006","128","","13901","13912","10.1021/ja064557b","","","0.71073","MoKα","","0.0783","0.0408","","","0.0866","0.0986","","","","","","1.013","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111009","21.5222","0.0011","22.0572","0.0011","12.4107","0.0006","90","","98.151","0.001","90","","5832.1","0.5","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 F6 N2 O6 Os P2 S2 Si2 -","- C60 H60 F6 N2 O6 Os P2 S2 Si2 -","- C240 H240 F24 N8 O24 Os4 P8 S8 Si8 -","4","1","","Wai Yiu Hung; Jun Zhu; Ting Bin Wen; Ka Po Yu; Herman H. Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Osmabenzenes from the Reactions of a Dicationic Osmabenzyne Complex","Journal of the American Chemical Society","2006","128","","13742","13752","10.1021/ja064570w","","","0.71073","MoKα","","0.0514","0.0378","","","0.0751","0.0787","","","","","","1.005","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111010","16.294","0.003","20.435","0.004","18.652","0.004","90","","109.188","0.004","90","","5865","2","173","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C62 H61 F3 N2 O5 Os P2 S Si -","- C62 H59 F3 N2 O5 Os P2 S Si -","- C248 H236 F12 N8 O20 Os4 P8 S4 Si4 -","4","1","","Wai Yiu Hung; Jun Zhu; Ting Bin Wen; Ka Po Yu; Herman H. Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Osmabenzenes from the Reactions of a Dicationic Osmabenzyne Complex","Journal of the American Chemical Society","2006","128","","13742","13752","10.1021/ja064570w","","","0.71073","MoKα","","0.0534","0.0415","","","0.1179","0.1231","","","","","","1.072","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111011","13.7519","0.0007","19.6084","0.0011","19.1742","0.0011","90","","97.364","0.001","90","","5127.7","0.5","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C57 H55 F3 N2 O4 Os P2 S Si -","- C57 H55 F3 N2 O4 Os P2 S Si -","- C228 H220 F12 N8 O16 Os4 P8 S4 Si4 -","4","1","","Wai Yiu Hung; Jun Zhu; Ting Bin Wen; Ka Po Yu; Herman H. Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Osmabenzenes from the Reactions of a Dicationic Osmabenzyne Complex","Journal of the American Chemical Society","2006","128","","13742","13752","10.1021/ja064570w","","","0.71073","MoKα","","0.0695","0.0427","","","0.0786","0.0845","","","","","","0.949","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111012","13.857","0.003","19.181","0.004","19.294","0.004","90","","97.087","0.003","90","","5089","1.9","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H55 F3 N2 O5 Os P2 S Si -","- C56 H55 F3 N2 O5 Os P2 S Si -","- C224 H220 F12 N8 O20 Os4 P8 S4 Si4 -","4","1","","Wai Yiu Hung; Jun Zhu; Ting Bin Wen; Ka Po Yu; Herman H. Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Osmabenzenes from the Reactions of a Dicationic Osmabenzyne Complex","Journal of the American Chemical Society","2006","128","","13742","13752","10.1021/ja064570w","","","0.71073","MoKα","","0.1082","0.0564","","","0.1218","0.1322","","","","","","0.993","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111013","10.7215","0.0011","11.4672","0.0011","20.273","0.002","104.072","0.002","101.455","0.002","95.036","0.002","2345.1","0.4","298","2","298","2","","","","","","","","10","P -1","-P 1","2","","","","- C42 H48 Cl2 F3 N2 O3 Os P S Si2 -","- C42 H48 Cl2 F3 N2 O3 Os P S Si2 -","- C84 H96 Cl4 F6 N4 O6 Os2 P2 S2 Si4 -","2","1","","Wai Yiu Hung; Jun Zhu; Ting Bin Wen; Ka Po Yu; Herman H. Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Osmabenzenes from the Reactions of a Dicationic Osmabenzyne Complex","Journal of the American Chemical Society","2006","128","","13742","13752","10.1021/ja064570w","","","0.71073","MoKα","","0.0756","0.0448","","","0.0678","0.0726","","","","","","0.993","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111014","11.996","0.0001","27.713","0.0002","14.46","0.0001","90","","114.462","0.001","90","","4375.65","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 Cl4 N2 O P2 Ru -","- C46 H46 Cl4 N2 O P2 Ru -","- C184 H184 Cl16 N8 O4 P8 Ru4 -","4","1","","Suzanne Burling; Mary F. Mahon; Rachael E. Powell; Michael K. Whittlesey; Jonathan M. J. Williams","Ruthenium Induced C-N Bond Activation of an N-Heterocyclic Carbene: Isolation of C- and N-Bound Tautomers","Journal of the American Chemical Society","2006","128","","13702","13703","10.1021/ja065582k","","","0.71073","MoKα","","0.0681","0.0434","","","0.0855","0.094","","","","","","1.022","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111015","10.429","0.0001","12.625","0.0001","17.859","0.0002","107.683","0.001","95.349","0.001","99.035","0.001","2187.57","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H46 Cl4 N2 O P2 Ru -","- C46 H46 Cl4 N2 O P2 Ru -","- C92 H92 Cl8 N4 O2 P4 Ru2 -","2","1","","Suzanne Burling; Mary F. Mahon; Rachael E. Powell; Michael K. Whittlesey; Jonathan M. J. Williams","Ruthenium Induced C-N Bond Activation of an N-Heterocyclic Carbene: Isolation of C- and N-Bound Tautomers","Journal of the American Chemical Society","2006","128","","13702","13703","10.1021/ja065582k","","","0.71073","MoKα","","0.0494","0.0347","","","0.0771","0.0831","","","","","","1.037","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111016","11.4873","0.0009","12.2811","0.001","17.4297","0.0014","96.894","0.001","91.521","0.001","111.854","0.001","2258.9","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","cis-Pd2(C6H4PPh2)(O2CCF3)2Cl2, 2CH2Cl2","","","- C42 H32 Cl6 F6 O4 P2 Pd2 -","- C42 H32 Cl6 F6 O4 P2 Pd2 -","- C84 H64 Cl12 F12 O8 P4 Pd4 -","2","1","","F. Albert Cotton; Igor O. Koshevoy; Pascual Lahuerta; Carlos A. Murillo; Mercedes Sanaú; M. Angeles Ubeda; Qinliang Zhao","High Yield Syntheses of Stable, Singly Bonded Pd26+ Compounds","Journal of the American Chemical Society","2006","128","","13674","13675","10.1021/ja0656595","","","0.71073","MoKα","","0.0555","0.0395","","","0.0785","0.0832","","","","","","1.041","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111017","11.711","0.0003","17.195","0.0004","21.146","0.0007","90","","90","","90","","4258.2","0.2","293","2","293","2","","","","","","","","6","P b n a","-P 2ac 2b","60","cis-Pd2(C6H4PPh2)(O2CCMe3)2Cl2","","","- C46 H46 Cl2 O4 P2 Pd2 -","- C46 H46 Cl2 O4 P2 Pd2 -","- C184 H184 Cl8 O16 P8 Pd8 -","4","0.5","","F. Albert Cotton; Igor O. Koshevoy; Pascual Lahuerta; Carlos A. Murillo; Mercedes Sanaú; M. Angeles Ubeda; Qinliang Zhao","High Yield Syntheses of Stable, Singly Bonded Pd26+ Compounds","Journal of the American Chemical Society","2006","128","","13674","13675","10.1021/ja0656595","","","0.71073","MoKα","","0.1017","0.044","","","0.085","0.1078","","","","","","1.084","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111018","15.261","0.0015","15.4146","0.0015","21.044","0.002","76.544","0.002","73.541","0.002","76.415","0.002","4540.9","0.8","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 O4 Os P Pt Sn -","- C42 H49 O4 Os P Pt Sn -","- C168 H196 O16 Os4 P4 Pt4 Sn4 -","4","2","","Richard D. Adams; Burjor Captain; Lei Zhu","Platinum Promoted Insertion of an Alkyne into a Metal-Hydrogen Bond","Journal of the American Chemical Society","2006","128","","13672","13673","10.1021/ja0657152","","","0.71073","MoKα","","0.0624","0.0405","","","0.123","0.1444","","","","","","1.051","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111019","15.3785","0.0008","12.0732","0.0006","20.6568","0.001","90","","108.841","0.001","90","","3629.8","0.3","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 O4 Os P Pt Sn -","- C34 H43 O4 Os P Pt Sn -","- C136 H172 O16 Os4 P4 Pt4 Sn4 -","4","1","","Richard D. Adams; Burjor Captain; Lei Zhu","Platinum Promoted Insertion of an Alkyne into a Metal-Hydrogen Bond","Journal of the American Chemical Society","2006","128","","13672","13673","10.1021/ja0657152","","","0.71073","MoKα","","0.0539","0.0376","","","0.0961","0.1087","","","","","","1.031","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111020","10.3198","0.0004","12.1676","0.0005","18.4225","0.0008","78.148","0.001","78.187","0.001","65.989","0.001","2048.97","0.15","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 O4 Os P Pt Sn -","- C42 H49 O4 Os P Pt Sn -","- C84 H98 O8 Os2 P2 Pt2 Sn2 -","2","1","","Richard D. Adams; Burjor Captain; Lei Zhu","Platinum Promoted Insertion of an Alkyne into a Metal-Hydrogen Bond","Journal of the American Chemical Society","2006","128","","13672","13673","10.1021/ja0657152","","","0.71073","MoKα","","0.0351","0.027","","","0.0628","0.0694","","","","","","1.031","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111021","7.675","0.004","12.605","0.007","12.914","0.008","86.49","0.02","81.01","0.02","83.69","0.03","1225.3","1.2","110","","110","","","","","","","","local laboratory","3","P -1","-P 1","2","","","","- C31 H28 O5 -","- C31 H28 O5 -","- C62 H56 O10 -","2","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.19","0.062","","","0.107","0.141","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111022","9.743","0.002","16.188","0.003","15.137","0.003","90","","90","","90","","2387.4","0.8","110","","110","","","","","","","","local laboratory","3","P c a 21","P 2c -2ac","29","","","","- C31 H28 O5 -","- C31 H28 O5 -","- C124 H112 O20 -","4","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.054","0.038","","","0.082","0.088","","","","","","1.037","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111023","7.859","0.006","11.146","0.007","14.964","0.015","81.92","0.03","85.92","0.03","72.84","0.05","1239.4","1.8","110","","110","","","","","","","","local laboratory","3","P -1","-P 1","2","","","","- C32 H26 O6 -","- C32 H26 O6 -","- C64 H52 O12 -","2","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.36","0.12","","","0.265","0.377","","","","","","0.951","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111024","8.6597","0.0015","11.155","0.002","11.818","0.003","100.03","0.01","99.201","0.013","97.783","0.013","1093.9","0.4","110","","110","","","","","","","","local laboratory","3","P -1","-P 1","2","","","","- C27 H26 O5 -","- C27 H26 O5 -","- C54 H52 O10 -","2","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.096","0.049","","","0.108","0.123","","","","","","1.045","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111025","11.822","0.005","14.537","0.009","15.298","0.011","64.48","0.02","69.89","0.03","88.38","0.03","2206","2","110","","110","","","","","","","","local laboratory","3","P -1","-P 1","2","","","","- C27 H26 O5 -","- C27 H26 O5 -","- C108 H104 O20 -","4","2","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.179","0.094","","","0.225","0.273","","","","","","1.03","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111026","9.504","0.002","10.972","0.003","11.785","0.004","66.744","0.017","90.325","0.016","71.375","0.018","1057.6","0.6","110","","110","","","","","","","","local laboratory","3","P -1","-P 1","2","","","","- C26 H24 O5 -","- C26 H24 O5 -","- C52 H48 O10 -","2","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.143","0.062","","","0.108","0.133","","","","","","1.027","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111027","14.395","0.003","8.6291","0.0015","23.881","0.005","90","","102.115","0.007","90","","2900.3","1","110","","110","","","","","","","","Local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 O6 -","- C34 H32 O6 -","- C136 H128 O24 -","4","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.093","0.063","","","0.133","0.145","","","","","","1.104","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111028","10.946","0.0008","18.944","0.008","8.041","0.015","90","","105.58","0.04","90","","1606","3","110","","110","","","","","","","","local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 O3 -","- C23 H14 O3 -","- C92 H56 O12 -","4","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.271","0.083","","","0.133","0.185","","","","","","0.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111029","15.3431","0.0009","16.0318","0.0009","21.0821","0.0012","69.889","0.001","85.777","0.001","89.956","0.001","4854.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H88.1 Cl2 N26 O30.05 -","- C42 H72.7547 Cl2 N26 O30.0447 -","- C126 H218.264 Cl6 N78 O90.134 -","3","1.5","","Pritam Mukhopadhyay; Peter Y. Zavalij; Lyle Isaacs","High Fidelity Kinetic Self-Sorting in Multi-Component Systems Based on Guests with Multiple Binding Epitopes","Journal of the American Chemical Society","2006","128","","14093","14102","10.1021/ja063390j","","","0.71073","MoKα","","0.0654","0.0484","","","0.0975","0.1074","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111030","28.268","0.0006","35.3567","0.001","10.8372","0.0002","90","","90","","90","","10831.4","0.4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C52 H80 Cl2 Mo2 N4 Si2 -","- C52 H80 Cl2 Mo2 N4 Si2 -","- C416 H640 Cl16 Mo16 N32 Si16 -","8","0.5","","Yi-Chou Tsai; Yang-Miin Lin; Jen-Shiang K. Yu; Jenn-Kang Hwang","A Three-Coordinate and Quadruply Bonded Mo-Mo Complex","Journal of the American Chemical Society","2006","128","","13980","13981","10.1021/ja0635884","","","0.71073","MoKα","","0.0511","0.04","","","0.0899","0.0956","","","","","","1.059","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111031","12.237","0.0002","18.608","0.0004","12.81","0.0003","90","","115.073","0.001","90","","2642.05","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 Mo2 N4 Si2 -","- C52 H80 Mo2 N4 Si2 -","- C104 H160 Mo4 N8 Si4 -","2","0.5","","Yi-Chou Tsai; Yang-Miin Lin; Jen-Shiang K. Yu; Jenn-Kang Hwang","A Three-Coordinate and Quadruply Bonded Mo-Mo Complex","Journal of the American Chemical Society","2006","128","","13980","13981","10.1021/ja0635884","","","0.71073","MoKα","","0.0777","0.0701","","","0.1603","0.1654","","","","","","1.224","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111032","11.7432","0.0002","11.5531","0.0004","22.8714","0.0009","90","","90","","90","","3102.97","0.17","150","1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Br N P2 Si -","- C8 H24 Br N P2 Si -","- C64 H192 Br8 N8 P16 Si8 -","8","1","","Keith Huynh; Alan J. Lough; Ian Manners","Reactions of P-Donor Ligands with N-Silyl(halogeno)organophosphoranimines: Formation of Cations with P-P Coordination Bonds and Poly(alkyl/aryl)phosphazenes at Ambient Temperature","Journal of the American Chemical Society","2006","128","","14002","14003","10.1021/ja063979i","","","0.71073","MoKα","","0.0704","0.0395","","","0.0859","0.0983","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111033","11.7699","0.0001","17.4973","0.0002","16.1714","0.0001","90","","108.201","0.001","90","","3163.73","0.05","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C81 H72 O6 -","- C81 H72 O6 -","- C162 H144 O12 -","2","1","","Jye-Shane Yang; Jyu-Lun Yan; Chung-Yu Hwang; Shih-Yi Chiou; Kang-Ling Liau; Hui-Hsu Gavin Tsai; Gene-Hsiang Lee; Shie-Ming Peng","Probing the Intrachain and Interchain Effects on the Fluorescence Behavior of Pentiptycene-Derived Oligo(p-phenyleneethynylene)s","Journal of the American Chemical Society","2006","128","","14109","14119","10.1021/ja0640389","","","0.71073","MoKα","","0.1244","0.0973","","","0.2443","0.2673","","","","","","1.041","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111034","10.9408","0.0008","11.0503","0.0008","11.3483","0.0008","104.682","0.002","94.383","0.002","109.87","0.002","1228.1","0.16","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C66 H62 O2 -","- C66 H62 O2 -","- C66 H62 O2 -","1","0.5","","Jye-Shane Yang; Jyu-Lun Yan; Chung-Yu Hwang; Shih-Yi Chiou; Kang-Ling Liau; Hui-Hsu Gavin Tsai; Gene-Hsiang Lee; Shie-Ming Peng","Probing the Intrachain and Interchain Effects on the Fluorescence Behavior of Pentiptycene-Derived Oligo(p-phenyleneethynylene)s","Journal of the American Chemical Society","2006","128","","14109","14119","10.1021/ja0640389","","","0.71073","MoKα","","0.1201","0.0539","","","0.0966","0.1092","","","","","","1.001","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111035","17.444","0.003","16.079","0.003","20.064","0.004","90","","90","","90","","5627.6","1.8","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H78 La2 N4 O2 -","- C64 H78 La2 N4 O2 -","- C256 H312 La8 N16 O8 -","4","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller; Nikolas Kaltsoyannis","Trivalent [(C5Me5)2(THF)Ln]2(μ-η2:η2-N2) Complexes as Reducing Agents Including the Reductive Homologation of CO to a Ketene Carboxylate, (μ-η4-O2CCCO)2-","Journal of the American Chemical Society","2006","128","","14176","14184","10.1021/ja0640851","","","0.71073","MoKα","","0.0337","0.0201","","","0.042","0.05","","","","","","1.089","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111036","14.234","0.006","14.365","0.006","15.917","0.007","91.539","0.007","114.067","0.007","109.738","0.007","2745","2","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H160 La4 O8 -","- C118 H160 La4 O8 -","- C118 H160 La4 O8 -","1","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller; Nikolas Kaltsoyannis","Trivalent [(C5Me5)2(THF)Ln]2(μ-η2:η2-N2) Complexes as Reducing Agents Including the Reductive Homologation of CO to a Ketene Carboxylate, (μ-η4-O2CCCO)2-","Journal of the American Chemical Society","2006","128","","14176","14184","10.1021/ja0640851","","","0.71073","MoKα","","0.0877","0.055","","","0.1374","0.1591","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111037","10.7705","0.0006","8.6569","0.0005","11.6622","0.0007","90","","110.724","0.001","90","","1017.02","0.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N O5 -","- C20 H28 N O5 -","- C40 H56 N2 O10 -","2","1","","Fanglong Yang; Jeffery J. Newsome; Dennis P. Curran","Structure Assignment of Lagunapyrone B by Fluorous Mixture Synthesis of Four Candidate Stereoisomers","Journal of the American Chemical Society","2006","128","","14200","14205","10.1021/ja064812s","","","0.71073","MoKα","","0.1055","0.0594","","","0.1331","0.1504","","","","","","0.941","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111038","11.965","0.008","9.611","0.007","12.864","0.01","90","","94.55","0.07","90","","1474.6","1.9","90","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl2 Cu N3 O -","- C14 H16 Cl2 Cu N3 O -","- C56 H64 Cl8 Cu4 N12 O4 -","4","1","","Keita Osanai; Atsushi Okazawa; Takashi Nogami; Takayuki Ishida","Strong Ferromagnetic Exchange Couplings in Copper(II) and Nickel(II) Complexes with a Paramagnetic Tridentate Chelate Ligand, 2,2'-Bipyridin-6-yl tert-Butyl Nitroxide","Journal of the American Chemical Society","2006","128","","14008","14009","10.1021/ja065623c","","","0.71069","MoKα","","","0.0295","","","","0.037","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111039","25.214","0.006","13.624","0.004","40.469","0.009","90","","90","","90","","13902","6","90","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H32 F12 N6 Ni O2 P2 -","- C28 H32 F12 N6 Ni O2 P2 -","- C448 H512 F192 N96 Ni16 O32 P32 -","16","2","","Keita Osanai; Atsushi Okazawa; Takashi Nogami; Takayuki Ishida","Strong Ferromagnetic Exchange Couplings in Copper(II) and Nickel(II) Complexes with a Paramagnetic Tridentate Chelate Ligand, 2,2'-Bipyridin-6-yl tert-Butyl Nitroxide","Journal of the American Chemical Society","2006","128","","14008","14009","10.1021/ja065623c","","","1.54178","CuKα","","","0.0569","","","","0.0562","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111040","18.7833","0.0012","18.7833","0.0012","25.861","0.003","90","","90","","90","","9124.1","1.3","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C83 H86 F3 O11 P4 S U -","- C83 H86 F3 O11 P4 S U -","- C332 H344 F12 O44 P16 S4 U4 -","4","0.25","","Shanmugaperumal Kannan; Anthony E. Vaughn; Eric M. Weis; Charles L. Barnes; Paul B. Duval","Anhydrous Photochemical Uranyl(VI) Reduction: Unprecedented Retention of Equatorial Coordination Accompanying Reversible Axial Oxo/Alkoxide Exchange","Journal of the American Chemical Society","2006","128","","14024","14025","10.1021/ja065822w","","","0.71073","MoKα","","0.0648","0.042","","","0.1228","0.131","","","","","","1.086","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111041","7.8718","0.0016","9.2112","0.0018","14.826","0.003","102.68","0.03","90.82","0.03","96.9","0.03","1040.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Br N4 O3 -","- C22 H20 Br N4 O3 -","- C44 H40 Br2 N8 O6 -","2","1","","Phil S. Baran; Ryan A. Shenvi","Total Synthesis of (\±)-Chartelline C","Journal of the American Chemical Society","2006","128","","14028","14029","10.1021/ja0659673","","","0.71073","MoKα","","0.1429","0.0598","","","0.1337","0.1688","","","","","","0.934","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111042","13.053","0.003","13.308","0.003","14.847","0.003","110.99","0.03","106.14","0.03","93.41","0.03","2276.3","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Br N4 O4 -","- C23 H22.5 Br N4.5 O4 -","- C92 H90 Br4 N18 O16 -","4","2","","Phil S. Baran; Ryan A. Shenvi","Total Synthesis of (\±)-Chartelline C","Journal of the American Chemical Society","2006","128","","14028","14029","10.1021/ja0659673","","","0.71073","MoKα","","0.1562","0.0595","","","0.1138","0.148","","","","","","0.937","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111043","23.62","0.005","21.153","0.004","10.113","0.002","90","","97.54","0.03","90","","5009.1","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H17.5 Br2 Cl N4 O1.25 -","- C21 H17.5 Br2 Cl N4 O1.25 -","- C168 H140 Br16 Cl8 N32 O10 -","8","1","","Phil S. Baran; Ryan A. Shenvi","Total Synthesis of (\±)-Chartelline C","Journal of the American Chemical Society","2006","128","","14028","14029","10.1021/ja0659673","","","0.71073","MoKα","","0.0732","0.0579","","","0.1817","0.1974","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111044","9.5296","0.0016","12.337","0.003","20.531","0.004","103.38","0.007","103.203","0.006","97.163","0.006","2245.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Ph(Me3SiO)C=NMo(N[t-Bu](3,5-C6H3Me2)","","","- C46 H68 Mo N4 O Si -","- C46 H68 Mo N4 O Si -","- C92 H136 Mo2 N8 O2 Si2 -","2","1","","John J. Curley; Emma L. Sceats; Christopher C. Cummins","A Cycle for Organic Nitrile Synthesis via Dinitrogen Cleavage","Journal of the American Chemical Society","2006","128","","14036","14037","10.1021/ja066090a","","","0.71073","MoKα","","0.0415","0.0355","","","0.0849","0.0877","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111045","9.5415","0.0018","13.767","0.002","14.084","0.004","88.852","0.018","72.68","0.02","72.912","0.015","1683.6","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 O5 Si -","- C36 H46 O5 Si -","- C72 H92 O10 Si2 -","2","1","","Igor Larrosa; Marianne I. Da Silva; Patricio M. Gómez; Peter Hannen; Eunjung Ko; Steven R. Lenger; Simon R. Linke; Andrew J. P. White; Donna Wilton; Anthony G. M. Barrett","Highly Convergent Three Component Benzyne Coupling: The Total Synthesis of ent-Clavilactone B","Journal of the American Chemical Society","2006","128","","14042","14043","10.1021/ja0662671","","","1.54248","CuKα","","0.0462","0.0451","","","0.1131","0.1138","","","","","","1.138","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111046","10.976","0.002","11.368","0.002","11.4464","0.0018","90.079","0.014","116.397","0.017","101.338","0.015","1247.9","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H31 N O8 -","- C27 H31 N O8 -","- C54 H62 N2 O16 -","2","1","","Igor Larrosa; Marianne I. Da Silva; Patricio M. Gómez; Peter Hannen; Eunjung Ko; Steven R. Lenger; Simon R. Linke; Andrew J. P. White; Donna Wilton; Anthony G. M. Barrett","Highly Convergent Three Component Benzyne Coupling: The Total Synthesis of ent-Clavilactone B","Journal of the American Chemical Society","2006","128","","14042","14043","10.1021/ja0662671","","","0.71073","MoKα","","0.0579","0.0416","","","0.1122","0.1177","","","","","","1.083","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111047","17.136","0.005","7.522","0.002","18.116","0.006","90","","90","","90","","2335.1","1.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H14 N2 O7 P2 -","- C7 H14 N2 O7 P2 -","- C56 H112 N16 O56 P16 -","8","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.0815","0.0479","","","0.1077","0.1175","","","","","","0.998","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111048","8.6608","0.0018","14.173","0.003","15.231","0.003","90","","102.704","0.003","90","","1823.8","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H23 N3 O11 P2 -","- C10 H23 N3 O11 P2 -","- C40 H92 N12 O44 P8 -","4","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.0581","0.0378","","","0.0878","0.0951","","","","","","1.045","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111049","7.208","0.006","8.465","0.006","8.911","0.007","109.7","0.012","106.731","0.012","97.664","0.013","473.9","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H9 N O6 P2 S -","- C5 H9 N O6 P2 S -","- C10 H18 N2 O12 P4 S2 -","2","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.0368","0.0298","","","0.0786","0.0824","","","","","","1.048","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111050","6.834","0.01","9.597","0.014","10.538","0.015","114.94","0.02","94.45","0.02","98","0.02","613.4","1.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H16 N2 O10 P2 -","- C5 H16 N2 O10 P2 -","- C10 H32 N4 O20 P4 -","2","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.0397","0.0331","","","0.0916","0.109","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111051","7.325","0.002","7.766","0.003","8.972","0.003","68.24","0.005","85.371","0.005","82.608","0.005","469.8","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H7 N O6 P2 S2 -","- C4 H7 N O6 P2 S2 -","- C8 H14 N2 O12 P4 S4 -","2","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.039","0.0312","","","0.0819","0.0882","","","","","","1.045","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111052","7.524","0.003","13.975","0.005","9.437","0.004","90","","103.647","0.007","90","","964.3","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 N3 O7 P2 -","- C4 H9 N3 O7 P2 -","- C16 H36 N12 O28 P8 -","4","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.044","0.0345","","","0.0893","0.0943","","","","","","1.036","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111053","9.715","0.004","21.43","0.01","10.023","0.005","90","","93.575","0.008","90","","2082.7","1.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H15 N O6 P2 -","- C5 H15 N O6 P2 -","- C40 H120 N8 O48 P16 -","8","2","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.046","0.0348","","","0.0851","0.0896","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111054","6.258","0.003","6.413","0.003","17.221","0.009","85.515","0.009","84.998","0.009","71.069","0.009","650.3","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 N Na O6 P2 -","- C8 H18 N Na O6 P2 -","- C16 H36 N2 Na2 O12 P4 -","2","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.0837","0.0534","","","0.1183","0.1284","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111055","11.54","0.003","6.5177","0.0016","16.752","0.004","90","","91.214","0.005","90","","1259.7","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H19 N O6 P2 -","- C8 H19 N O6 P2 -","- C32 H76 N4 O24 P8 -","4","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.116","0.0573","","","0.0938","0.1078","","","","","","0.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111056","7.3064","0.0013","11.8405","0.0012","16.476","0.003","71.669","0.01","77.421","0.013","87.599","0.011","1320","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H7 B N O3 Re S2 -","- C10 H7 B N O3 Re S2 -","- C40 H28 B4 N4 O12 Re4 S8 -","4","2","","Leonor Maria; António Paulo; Isabel C. Santos; Isabel Santos; Philipp Kurz; Bernhard Spingler; Roger Alberto","Very Small and Soft Scorpionates: Water Stable Technetium Tricarbonyl Complexes Combining a Bis-agostic (k3-H, H, S) Binding Motif with Pendant and Integrated Bioactive Molecules","Journal of the American Chemical Society","2006","128","","14590","14598","10.1021/ja0644226","","","0.71069","MoKα","","0.0746","0.0461","","","0.1014","0.1101","","","","","","0.994","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111057","13.1996","0.0009","7.1101","0.0003","13.5641","0.0008","90","","118.135","0.007","90","","1122.58","0.13","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 B N2 O3 Re S -","- C7 H8 B N2 O3 Re S -","- C28 H32 B4 N8 O12 Re4 S4 -","4","1","","Leonor Maria; António Paulo; Isabel C. Santos; Isabel Santos; Philipp Kurz; Bernhard Spingler; Roger Alberto","Very Small and Soft Scorpionates: Water Stable Technetium Tricarbonyl Complexes Combining a Bis-agostic (k3-H, H, S) Binding Motif with Pendant and Integrated Bioactive Molecules","Journal of the American Chemical Society","2006","128","","14590","14598","10.1021/ja0644226","","","0.71073","MoKα","","0.0663","0.0473","","","0.1224","0.1324","","","","","","0.996","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111058","13.306","0.001","7.0523","0.0003","13.6754","0.0011","90","","118.449","0.008","90","","1128.3","0.16","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 B N2 O3 S Tc -","- C7 H8 B N2 O3 S Tc -","- C28 H32 B4 N8 O12 S4 Tc4 -","4","1","","Leonor Maria; António Paulo; Isabel C. Santos; Isabel Santos; Philipp Kurz; Bernhard Spingler; Roger Alberto","Very Small and Soft Scorpionates: Water Stable Technetium Tricarbonyl Complexes Combining a Bis-agostic (k3-H, H, S) Binding Motif with Pendant and Integrated Bioactive Molecules","Journal of the American Chemical Society","2006","128","","14590","14598","10.1021/ja0644226","","","0.71073","MoKα","","0.0431","0.0283","","","0.0655","0.0679","","","","","","0.855","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111059","23.039","0.003","7.7428","0.0007","12.9602","0.0014","90","","99.459","0.013","90","","2280.5","0.4","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Cp2Fe,Ni(tfadt)2","","","- C18 H10 F6 Fe N2 Ni S4 -","- C18 H10 F6 Fe N2 Ni S4 -","- C72 H40 F24 Fe4 N8 Ni4 S16 -","4","0.5","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Order-Disorder Transition Coupled with Magnetic Bistability in the Ferricinium Salt of a Radical Nickel Dithiolene Complex","Journal of the American Chemical Society","2006","128","","14649","14656","10.1021/ja064842v","","","0.71073","MoKα","","0.0857","0.0399","","","0.1003","0.1162","","","","","","0.927","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111060","7.8764","0.0011","11.5708","0.0016","12.946","0.0016","74.955","0.015","83.431","0.016","76.137","0.016","1104.5","0.3","230","2","230","2","","","","","","","","7","P -1","-P 1","2","Cp2Fe,Ni(tfadt)2","","","- C18 H10 F6 Fe N2 Ni S4 -","- C18 H10 F6 Fe N2 Ni S4 -","- C36 H20 F12 Fe2 N4 Ni2 S8 -","2","1","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Order-Disorder Transition Coupled with Magnetic Bistability in the Ferricinium Salt of a Radical Nickel Dithiolene Complex","Journal of the American Chemical Society","2006","128","","14649","14656","10.1021/ja064842v","","","0.71073","MoKα","","0.1127","0.0512","","","0.1333","0.1592","","","","","","1.005","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111061","12.237","0.003","12.877","0.002","14.957","0.003","77.67","0.02","70.47","0.02","79.62","0.02","2154.8","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","Cp2Fe,Ni(tfadt)2","","","- C18 H10 F6 Fe N2 Ni S4 -","- C18 H10 F6 Fe N2 Ni S4 -","- C72 H40 F24 Fe4 N8 Ni4 S16 -","4","2","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Order-Disorder Transition Coupled with Magnetic Bistability in the Ferricinium Salt of a Radical Nickel Dithiolene Complex","Journal of the American Chemical Society","2006","128","","14649","14656","10.1021/ja064842v","","","0.71073","MoKα","","0.1929","0.0737","","","0.1816","0.2365","","","","","","0.87","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111062","10.996","0.0002","9.879","0.0002","32.593","0.0008","90","","106.557","0.0007","90","","3393.76","0.12","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ttk-061405","ttk-061405","","- C37 H49 B Fe N4 S -","- C37 H49 B Fe N4 S -","- C148 H196 B4 Fe4 N16 S4 -","4","1","","Terutaka Kitagawa; Abhishek Dey; Priscilla Lugo-Mas; Jason B. Benedict; Werner Kaminsky; Edward Solomon; Julie A. Kovacs","A Functional Model for the Cysteinate-Ligated Non-Heme Iron Enzyme Superoxide Reductase (SOR)","Journal of the American Chemical Society","2006","128","","14448","14449","10.1021/ja064870d","","","0.71073","MoKα","","0.1786","0.0777","","","0.1919","0.2335","","","","","","1.028","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111063","12.2758","0.0012","14.7281","0.0014","13.6554","0.0013","90","","104.403","0.002","90","","2391.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 Cl N3 O10 Ru -","- C21 H28 Cl N3 O10 Ru -","- C84 H112 Cl4 N12 O40 Ru4 -","4","1","","Wai-Lun Man; William W. Y. Lam; Wai-Yeung Wong; Tai-Chu Lau","Oxidation of Nitrite by atrans-Dioxoruthenium(VI) Complex: Direct Evidence for Reversible Oxygen Atom Transfer","Journal of the American Chemical Society","2006","128","","14669","14675","10.1021/ja064975g","","","0.71073","MoKα","","0.0622","0.0408","","","0.1092","0.1221","","","","","","1.043","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111064","11.9706","0.0002","14.8783","0.0003","21.3712","0.0004","77.791","0.001","87.505","0.001","68.785","0.001","3465.78","0.11","183","2","183","2","","","","","","","","6","P -1","-P 1","2","bis[(TMS-imino-di-Ph-phosphorano)methyl]Calcium","","","- C65 H81 Ca N4 P4 Si4 -","- C65 H81 Ca N4 P4 Si4 -","- C130 H162 Ca2 N8 P8 Si8 -","2","1","","Lars Orzechowski; Georg Jansen; Sjoerd Harder","Synthesis, Structure, and Reactivity of a Stabilized Calcium Carbene: R2CCa","Journal of the American Chemical Society","2006","128","","14676","14684","10.1021/ja065000z","","","0.71073","MoKα","","0.0681","0.0426","","","0.1154","0.1241","","","","","","1.091","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111065","23.2067","0.0005","12.2438","0.0003","27.0581","0.0005","90","","118.744","0.001","90","","6740.9","0.3","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(iminophosphorano)methandiide-Calcium","","","- C31 H38 Ca N2 P2 Si2 -","- C31 H38 Ca N2 P2 Si2 -","- C248 H304 Ca8 N16 P16 Si16 -","8","1","","Lars Orzechowski; Georg Jansen; Sjoerd Harder","Synthesis, Structure, and Reactivity of a Stabilized Calcium Carbene: R2CCa","Journal of the American Chemical Society","2006","128","","14676","14684","10.1021/ja065000z","","","0.71073","MoKα","","0.0683","0.043","","","0.0988","0.1102","","","","","","1.057","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111066","91.647","0.003","19.2995","0.0007","20.5818","0.0007","90","","100.163","0.0016","90","","35833","2","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(iminophosphorano)methandiide-Calcium.(2 Adamantyl-CN)2","","","- C180 H224 Ca4 N12 P8 Si8 -","- C180 H224 Ca4 N12 P8 Si8 -","- C1440 H1792 Ca32 N96 P64 Si64 -","8","1","","Lars Orzechowski; Georg Jansen; Sjoerd Harder","Synthesis, Structure, and Reactivity of a Stabilized Calcium Carbene: R2CCa","Journal of the American Chemical Society","2006","128","","14676","14684","10.1021/ja065000z","","","0.71073","MoKα","","0.1051","0.0991","","","0.2364","0.2412","","","","","","1.091","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111067","14.0694","0.0004","16.2726","0.0005","20.5634","0.0007","90.391","0.002","92.101","0.002","102.574","0.002","4591.4","0.3","203","2","203","2","","","","","","","","7","P -1","-P 1","2","bis(iminophosphorano)methandiide-Calcium.(benzophenone)","","","- C81 H92 Ca2 N4 O P4 Si4 -","- C81 H92 Ca2 N4 O P4 Si4 -","- C162 H184 Ca4 N8 O2 P8 Si8 -","2","1","","Lars Orzechowski; Georg Jansen; Sjoerd Harder","Synthesis, Structure, and Reactivity of a Stabilized Calcium Carbene: R2CCa","Journal of the American Chemical Society","2006","128","","14676","14684","10.1021/ja065000z","","","0.71073","MoKα","","0.0477","0.038","","","0.1006","0.1054","","","","","","1.022","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111068","13.8153","0.0004","17.5149","0.0005","18.9903","0.0005","90","","91.418","0.002","90","","4593.7","0.2","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","bis(iminophosphorano)methandiide-Calcium + Cy-N=C=O","","","- C47 H58 Ca N3 O P2 Si2 -","- C47 H58 Ca N3 O P2 Si2 -","- C188 H232 Ca4 N12 O4 P8 Si8 -","4","1","","Lars Orzechowski; Georg Jansen; Sjoerd Harder","Synthesis, Structure, and Reactivity of a Stabilized Calcium Carbene: R2CCa","Journal of the American Chemical Society","2006","128","","14676","14684","10.1021/ja065000z","","","0.71073","MoKα","","0.0685","0.0442","","","0.105","0.118","","","","","","1.035","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111069","9.2443","0.0002","12.736","0.0002","9.4877","0.0002","90","","115.016","0.0008","90","","1012.25","0.04","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N4 O3 -","- C8 H12 N4 O3 -","- C32 H48 N16 O12 -","4","2","","Louis-Sebastian Sonntag; Sabine Schweizer; Christian Ochsenfeld; Helma Wennemers","The ""Azido Gauche Effect"" Implications for the Conformation of Azidoprolines","Journal of the American Chemical Society","2006","128","","14697","14703","10.1021/ja0654938","","","0.71073","MoKα","","0.0463","0.039","","0.0495","0.0397","0.0397","","","","","","0.9367","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111070","5.2995","0.0001","15.4255","0.0004","18.7201","0.0006","90","","95.174","0.001","90","","1524.08","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","acetic acid:10,11-dihydrocarbamazepine","acetic acid:10,11-dihydrocarbamazepine","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Aurora J. Cruz Cabeza; Graeme M. Day; W. D. Samuel Motherwell; William Jones","Prediction and Observation of Isostructurality Induced by Solvent Incorporation in Multicomponent Crystals","Journal of the American Chemical Society","2006","128","","14466","14467","10.1021/ja065845a","","","0.71073","MoKα","","0.0578","0.0429","","","0.1032","0.1119","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111071","9.2759","0.0008","9.2759","0.0008","6.6127","0.0004","90","","90","","90","","568.97","0.08","100","1","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C5 H8 N4 O12 -","- C5 H8 N4 O12 -","- C10 H16 N8 O24 -","2","0.25","","Elizabeth A. Zhurova; Adam I. Stash; Vladimir G. Tsirelson; Vladimir V. Zhurov; Ekaterina V. Bartashevich; Vladimir A. Potemkin; A. Alan Pinkerton","Atoms-in-Molecules Study of Intra- and Intermolecular Bonding in the Pentaerythritol Tetranitrate Crystal","Journal of the American Chemical Society","2006","128","","14728","14734","10.1021/ja0658620","","","0.71073","MoKα","","","0.0104","","","","0.0125","","","","","","1.17","","","","has coordinates","192343","2020-10-21","18:00:00",""
"4111072","40.384","0.004","6.3078","0.0006","27.942","0.003","90","","124.144","0.002","90","","5890.9","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 S3 -","- C24 H24 S3 -","- C288 H288 S36 -","12","1.5","","Daisuke Yamazaki; Tohru Nishinaga; Nobuhide Tanino; Koichi Komatsu","Terthiophene Radical Cations End-Capped by Bicyclo[2.2.2]octene Units: Formation of Bent π-Dimers Mutually Attracted at the Central Position","Journal of the American Chemical Society","2006","128","","14470","14471","10.1021/ja065995l","","","0.71073","MoKα","","0.0544","0.0375","","","0.0754","0.0792","","","","","","1.001","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111073","11.6808","0.0017","21.565","0.003","19.163","0.003","90","","90","","90","","4827.1","1.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H24 F6 S3 Sb -","- C24 H24 F6 S3 Sb -","- C192 H192 F48 S24 Sb8 -","8","1","","Daisuke Yamazaki; Tohru Nishinaga; Nobuhide Tanino; Koichi Komatsu","Terthiophene Radical Cations End-Capped by Bicyclo[2.2.2]octene Units: Formation of Bent π-Dimers Mutually Attracted at the Central Position","Journal of the American Chemical Society","2006","128","","14470","14471","10.1021/ja065995l","","","0.71073","MoKα","","0.0784","0.049","","","0.1004","0.1092","","","","","","1.002","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111074","11.7896","0.0013","21.747","0.002","19.296","0.002","90","","90","","90","","4947.3","0.9","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H24 F6 S3 Sb -","- C24 H24 F6 S3 Sb -","- C192 H192 F48 S24 Sb8 -","8","1","","Daisuke Yamazaki; Tohru Nishinaga; Nobuhide Tanino; Koichi Komatsu","Terthiophene Radical Cations End-Capped by Bicyclo[2.2.2]octene Units: Formation of Bent π-Dimers Mutually Attracted at the Central Position","Journal of the American Chemical Society","2006","128","","14470","14471","10.1021/ja065995l","","","0.71073","MoKα","","0.147","0.128","","","0.2471","0.2553","","","","","","1.413","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111075","15.0389","0.0006","9.5664","0.0004","9.5827","0.0004","90","","104.815","0.002","90","","1332.81","0.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Br N3 O5 Re -","- C10 H7 Br N3 O5 Re -","- C40 H28 Br4 N12 O20 Re4 -","4","1","","Chinnasamy Ramesh; Bj Bryant; Tapan Nayak; Chetana M. Revankar; Tamara Anderson; Kathryn E. Carlson; John A. Katzenellenbogen; Larry A. Sklar; Jeffrey P. Norenberg; Eric R. Prossnitz; Jeffrey B. Arterburn","Linkage Effects on Binding Affinity and Activation of GPR30 and Estrogen Receptors ERα/β with Tridentate Pyridin-2-yl Hydrazine Tricarbonyl-Re/99mTc(I) Chelates","Journal of the American Chemical Society","2006","128","","14476","14477","10.1021/ja066360p","","","0.71073","MoKα","","0.0595","0.0302","","","0.0643","0.0754","","","","","","0.988","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111076","8.545","0.002","8.875","0.002","9.964","0.002","90","","113.978","0.003","90","","690.4","0.3","115.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C34 H36 O4 -","2","1","","David J. Gorin; Pascal Dubé; F. Dean Toste","Synthesis of Benzonorcaradienes by Gold(I)-Catalyzed [4+3] Annulation","Journal of the American Chemical Society","2006","128","","14480","14481","10.1021/ja066694e","","","0.7107","MoKα","","0.0373","0.0321","","0.0405","","0.0397","","","","","","1.851","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111077","6.9033","0.0012","11.659","0.002","15.64","0.003","85.862","0.003","78.785","0.003","85.496","0.003","1228.9","0.4","120","1","120","1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 O10 -","- C26.008 H28 O10.008 -","- C52.016 H56 O20.016 -","2","1","","Alex R. Lippert; Juthanat Kaeobamrung; Jeffrey W. Bode","Synthesis of Oligosubstituted Bullvalones: Shapeshifting Molecules Under Basic Conditions","Journal of the American Chemical Society","2006","128","","14738","14739","10.1021/ja063900+","","","0.71073","MoKα","","0.1534","0.1035","","","0.3045","0.3273","","","","","","1.049","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111078","12.3614","0.0006","21.3847","0.0011","19.3817","0.001","90","","95.744","0.001","90","","5097.7","0.4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CB5+CB5","CB5+CB5","","- C70 H123.56 I2 N44 O42.78 -","- C70 H101.16 I2 N44 O42.78 -","- C140 H202.32 I4 N88 O85.56 -","2","0.5","","Wei-Hao Huang; Simin Liu; Peter Y. Zavalij; Lyle Isaacs","Nor-Seco-Cucurbit[10]uril Exhibits Homotropic Allosterism","Journal of the American Chemical Society","2006","128","","14744","14745","10.1021/ja064776x","","","0.71073","MoKα","","0.0536","0.0433","","","0.093","0.0969","","","","","","1","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111079","9.5735","0.0007","11.3637","0.0008","13.0078","0.0009","65.779","0.001","73.406","0.001","80.72","0.001","1235.23","0.15","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","catena-((3,3-bis-methyl-1,3-selenasiletane) -dirhodium(ii)-tetratrifluoroacetate)","","- C12 H10 F12 O8 Rh2 Se Si -","- C12 H10 F11.94 O8 Rh2 Se Si -","- C24 H20 F23.88 O16 Rh4 Se2 Si2 -","2","1","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0555","0.0436","","","0.106","0.1138","","","","","","1.039","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111080","6.6704","0.0005","9.8045","0.0007","10.894","0.0007","98.97","0.001","95.843","0.001","106.35","0.001","667.27","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3,7,7-Tetramethyl-1,5-dithia-3,7-disilocane","","- C8 H20 S2 Si2 -","- C8 H20 S2 Si2 -","- C16 H40 S4 Si4 -","2","1","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0329","0.0303","","","0.0798","0.0821","","","","","","1.077","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111081","13.8814","0.0008","9.1545","0.0005","12.5777","0.0007","90","","93.045","0.001","90","","1596.08","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5-Bis-trimethylsilyl-1,3,5-dithiasiletane","","- C9 H24 S2 Si3 -","- C9 H24 S2 Si3 -","- C36 H96 S8 Si12 -","4","1","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.026","0.024","","","0.0656","0.0671","","","","","","1.051","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111082","6.2586","0.0004","7.9795","0.0005","11.3208","0.0007","104.223","0.001","93.624","0.001","107.762","0.001","516.03","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3,4,4,8,8,9,9-Octamethyl-1,6-dithia-3,4,8,9-tetrasilacyclodecane","","- C12 H32 S2 Si4 -","- C12 H32 S2 Si4 -","- C12 H32 S2 Si4 -","1","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0235","0.022","","","0.0622","0.0633","","","","","","1.068","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111083","7.3665","0.0004","13.2789","0.0007","14.1387","0.0007","90","","99.651","0.001","90","","1363.46","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3,7,7-Tetramethyl-1,5-diselena-3,7-disilocane","","- C8 H20 Se2 Si2 -","- C8 H20 Se2 Si2 -","- C32 H80 Se8 Si8 -","4","1","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0235","0.0201","","","0.0511","0.0526","","","","","","1.065","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111084","6.2293","0.0004","8.0571","0.0005","11.4887","0.0007","103.891","0.001","94.182","0.001","107.231","0.001","528.14","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3,4,4,8,8,9,9-Octamethyl-1,6-diselena-3,4,8,9-tetrasilacyclodecane","","- C12 H32 Se2 Si4 -","- C12 H32 Se2 Si4 -","- C12 H32 Se2 Si4 -","1","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0193","0.0182","","","0.0497","0.0504","","","","","","1.088","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111085","9.097","0.002","11.189","0.003","7.0389","0.0016","90","","91.984","0.003","90","","716","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3,7,7-Tetramethyl-1,5-diselena-3,7-distannocane","","- C8 H20 Se2 Sn2 -","- C8 H20 Se2 Sn2 -","- C16 H40 Se4 Sn4 -","2","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0381","0.0325","","","0.0801","0.0833","","","","","","1.031","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111086","12.2465","0.0007","12.1821","0.0007","9.7334","0.0006","90","","90","","90","","1452.11","0.15","173","2","90","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,3-Bis-trimethylsilyl-1,3-selenasiletane","","- C8 H22 Se Si3 -","- C8 H22 Se Si3 -","- C32 H88 Se4 Si12 -","4","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0251","0.0223","","","0.0585","0.0599","","","","","","1.043","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111087","8.1944","0.0005","8.2657","0.0005","12.9537","0.0009","90","","90","","90","","877.39","0.1","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-thiaselenetane-1-oxide","","- C2 H4 O S Se -","- C2 H4 O S Se -","- C16 H32 O8 S8 Se8 -","8","2","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0232","0.023","","","0.0593","0.0594","","","","","","1.052","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111088","5.6201","0.0006","5.429","0.0006","7.928","0.0009","90","","101.007","0.002","90","","237.45","0.05","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","1,3-thiaselenetane-1,1-dioxide","","- C2 H4 O2 S Se -","- C2 H4 O2 S Se -","- C4 H8 O4 S2 Se2 -","2","1","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0406","0.0399","","","0.1015","0.1022","","","","","","1.031","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111089","8.0944","0.0004","25.8749","0.0013","10.6969","0.0005","90","","106.583","0.001","90","","2147.19","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3,7,7-Tetramethyl-3,7-disila-1,5-ditelluracyclooctane","","- C8 H20 Si2 Te2 -","- C8 H20 Si2 Te2 -","- C48 H120 Si12 Te12 -","6","1.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.021","0.0182","","","0.0419","0.0427","","","","","","1.054","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111090","6.5427","0.0003","13.7608","0.0006","16.984","0.0008","90","","98.613","0.001","90","","1511.87","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3,7,7-tetrakis(trimethylsilyl)-3,7-disila-1,5-ditelluracyclooctane","","- C16 H44 Si6 Te2 -","- C16 H44 Si6 Te2 -","- C32 H88 Si12 Te4 -","2","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0297","0.0245","","","0.0555","0.0574","","","","","","1.062","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111091","17.4033","0.0014","7.8526","0.0007","12.3918","0.001","90","","108.557","0.001","90","","1605.4","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(bromomethyl)bis(trimethylsilyl)silane","","- C8 H22 Br2 Si3 -","- C8 H22 Br2 Si3 -","- C32 H88 Br8 Si12 -","4","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0373","0.03","","","0.0717","0.0749","","","","","","1.044","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111092","12.2325","0.0011","12.3562","0.0011","9.6165","0.0009","90","","90","","90","","1453.5","0.2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,3-Bis-trimethylsilyl-1,3-thiasiletane","","- C8 H22 S Si3 -","- C7.94 H21.82 S Si3 -","- C31.76 H87.28 S4 Si12 -","4","0.5","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0354","0.0334","","","0.0913","0.0936","","","","","","1.045","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111093","19.4457","0.0008","19.4457","0.0008","7.9176","0.0006","90","","90","","90","","2993.9","0.3","173","2","173","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","1,1-Diiodo-3,3,4,4-tetramethyl-1,3,4-telluradisilolane","","- C6 H16 I2 Si2 Te -","- C6 H16 I2 Si2 Te -","- C48 H128 I16 Si16 Te8 -","8","1","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0282","0.0267","","","0.0622","0.0632","","","","","","1.058","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111094","11.144","0.0006","14.0403","0.0008","20.9983","0.0012","79.785","0.002","82.574","0.002","82.006","0.003","3183.5","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H168 Mo N2 O26 Si16 -","- C97 H168 Mo N2 O26 Si16 -","- C97 H168 Mo N2 O26 Si16 -","1","0.5","","Hyeon Mo Cho; Haim Weissman; Scott R. Wilson; Jeffrey S. Moore","A Mo(VI) Alkylidyne Complex with Polyhedral Oligomeric Silsesquioxane Ligands: Homogeneous Analogue of a Silica-Supported Alkyne Metathesis Catalyst","Journal of the American Chemical Society","2006","128","","14742","14743","10.1021/ja065101x","","","0.71073","MoKα","","0.2018","0.1241","","","0.3446","0.3908","","","","","","1.682","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111095","13.9005","0.0005","16.8027","0.0007","17.0142","0.0007","83.666","0.001","69.925","0.001","84.126","0.001","3700.9","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C87 H80 F3 Fe O3 P5 S -","- C87 H80 F3 Fe O3 P5 S -","- C174 H160 F6 Fe2 O6 P10 S2 -","2","1","","Joseph G. Cordaro; Daniel Stein; Hansjörg Grützmacher","A Synthetic Cycle for the Ruthenium-Promoted Formation of 1H-Phosphindoles from Phosphaalkynes","Journal of the American Chemical Society","2006","128","","14962","14971","10.1021/ja0651198","","","0.71073","MoKα","","0.0716","0.0518","","","0.1193","0.1311","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111096","16.7591","0.001","10.517","0.0007","19.233","0.0012","90","","113.844","0.001","90","","3100.6","0.3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 P -","- C20 H15 P -","- C160 H120 P8 -","8","1","","Joseph G. Cordaro; Daniel Stein; Hansjörg Grützmacher","A Synthetic Cycle for the Ruthenium-Promoted Formation of 1H-Phosphindoles from Phosphaalkynes","Journal of the American Chemical Society","2006","128","","14962","14971","10.1021/ja0651198","","","0.71073","MoKα","","0.0669","0.0613","","","0.1476","0.1513","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111097","6.0334","0.0005","13.6676","0.001","17.8731","0.0014","90","","91.428","0.002","90","","1473.4","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 P -","- C20 H15 P -","- C80 H60 P4 -","4","1","","Joseph G. Cordaro; Daniel Stein; Hansjörg Grützmacher","A Synthetic Cycle for the Ruthenium-Promoted Formation of 1H-Phosphindoles from Phosphaalkynes","Journal of the American Chemical Society","2006","128","","14962","14971","10.1021/ja0651198","","","0.71073","MoKα","","0.0643","0.0588","","","0.1436","0.1476","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111098","17.285","0.007","17.059","0.007","23.956","0.01","90","","101.116","0.008","90","","6931","5","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H72 F3 O3 P5 Ru S -","- C80 H72 F3 O3 P5 Ru S -","- C320 H288 F12 O12 P20 Ru4 S4 -","4","1","","Joseph G. Cordaro; Daniel Stein; Hansjörg Grützmacher","A Synthetic Cycle for the Ruthenium-Promoted Formation of 1H-Phosphindoles from Phosphaalkynes","Journal of the American Chemical Society","2006","128","","14962","14971","10.1021/ja0651198","","","0.71073","MoKα","","0.1224","0.0469","","","0.1017","0.1329","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111099","21.066","0.004","5.706","0.001","13.026","0.002","90","","100.106","0.003","90","","1541.5","0.5","100","1","100","1","","","","","","","see text","3","C 1 2 1","C 2y","5","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Gareth P. Howell; Stephen P. Fletcher; Koen Geurts; Bjorn ter Horst; Ben L. Feringa","Catalytic Asymmetric Synthesis of Acyclic Arrays by Tandem 1,4-Addition-Aldol Reactions","Journal of the American Chemical Society","2006","128","","14977","14985","10.1021/ja0651862","","","0.71073","MoKα","","0.0549","0.0481","","","0.1654","0.168","","","","","","1.302","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111100","5.7337","0.0005","11.389","0.001","25.942","0.002","90","","90","","90","","1694","0.2","100","1","100","1","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C72 H76 N4 O16 S4 -","4","1","","Gareth P. Howell; Stephen P. Fletcher; Koen Geurts; Bjorn ter Horst; Ben L. Feringa","Catalytic Asymmetric Synthesis of Acyclic Arrays by Tandem 1,4-Addition-Aldol Reactions","Journal of the American Chemical Society","2006","128","","14977","14985","10.1021/ja0651862","","","0.71073","MoKα","","0.0274","0.0261","","","0.0621","0.0629","","","","","","1.054","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111101","16.2034","0.0017","21.886","0.002","22.723","0.002","90","","90.172","0.001","90","","8058.2","1.3","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 F36 Mn3 N6 O3 P2 -","- C72 H60 F36 Mn3 N6 O3 P2 -","- C288 H240 F144 Mn12 N24 O12 P8 -","4","1","","Jillian A. Hatnean; Ritu Raturi; Julie Lefebvre; Daniel B. Leznoff; Gavin Lawes; Samuel A. Johnson","Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin-Spin Coupling","Journal of the American Chemical Society","2006","128","","14992","14999","10.1021/ja065597i","","","0.71073","MoKα","","0.0685","0.053","","","0.1339","0.1461","","","","","","1.034","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111102","24.178","0.0016","24.178","0.0016","54.747","0.008","90","","90","","120","","27716","5","133","2","133","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H60 F36 Mn3 N6 O3 P2 -","- C71.97 H48 F36 Mn3 N6 O3 P2 -","- C863.64 H576 F432 Mn36 N72 O36 P24 -","12","0.666667","","Jillian A. Hatnean; Ritu Raturi; Julie Lefebvre; Daniel B. Leznoff; Gavin Lawes; Samuel A. Johnson","Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin-Spin Coupling","Journal of the American Chemical Society","2006","128","","14992","14999","10.1021/ja065597i","","","0.71073","MoKα","","0.0826","0.0598","","","0.1628","0.1762","","","","","","1.038","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111103","26.882","0.004","9.5933","0.0013","25.776","0.003","90","","108.937","0.002","90","","6287.5","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H81 Mg3 N6 O3 P2 -","- C69 H81 Mg3 N6 O3 P2 -","- C276 H324 Mg12 N24 O12 P8 -","4","1","","Jillian A. Hatnean; Ritu Raturi; Julie Lefebvre; Daniel B. Leznoff; Gavin Lawes; Samuel A. Johnson","Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin-Spin Coupling","Journal of the American Chemical Society","2006","128","","14992","14999","10.1021/ja065597i","","","0.71073","MoKα","","0.0939","0.0586","","","0.1238","0.14","","","","","","1.046","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111104","16.1671","0.0019","21.732","0.003","22.771","0.003","90","","90.654","0.001","90","","7999.9","1.8","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 F36 Mg3 N6 O3 P2 -","- C72 H60 F36 Mg3 N6 O3 P2 -","- C288 H240 F144 Mg12 N24 O12 P8 -","4","1","","Jillian A. Hatnean; Ritu Raturi; Julie Lefebvre; Daniel B. Leznoff; Gavin Lawes; Samuel A. Johnson","Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin-Spin Coupling","Journal of the American Chemical Society","2006","128","","14992","14999","10.1021/ja065597i","","","0.71073","MoKα","","0.0776","0.062","","","0.159","0.1746","","","","","","1.02","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111105","24.1481","0.0011","24.1481","0.0011","54.053","0.005","90","","90","","120","","27297","3","143","2","143","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H60 F36 Mg3 N6 O3 P2 -","- C71.97 H48 F36 Mg3 N6 O3 P2 -","- C863.64 H576 F432 Mg36 N72 O36 P24 -","12","0.666667","","Jillian A. Hatnean; Ritu Raturi; Julie Lefebvre; Daniel B. Leznoff; Gavin Lawes; Samuel A. Johnson","Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin-Spin Coupling","Journal of the American Chemical Society","2006","128","","14992","14999","10.1021/ja065597i","","","0.71073","MoKα","","0.1218","0.0982","","","0.2915","0.3128","","","","","","1.219","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111106","9.8336","0.001","13.305","0.0013","22.388","0.002","86.353","0.001","81.887","0.001","84.517","0.001","2882.8","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H78 Mn3 N6 O4.5 P2 -","- C60 H78 Mn3 N6 O4.5 P2 -","- C120 H156 Mn6 N12 O9 P4 -","2","1","","Jillian A. Hatnean; Ritu Raturi; Julie Lefebvre; Daniel B. Leznoff; Gavin Lawes; Samuel A. Johnson","Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin-Spin Coupling","Journal of the American Chemical Society","2006","128","","14992","14999","10.1021/ja065597i","","","0.71073","MoKα","","0.0625","0.0487","","","0.1384","0.1562","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111107","12.6659","0.0009","12.7083","0.0009","13.2977","0.001","98.423","0.006","113.73","0.005","110.982","0.006","1720.6","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H108 Ca2 N4 O4 -","- C73 H108 Ca2 N4 O4 -","- C73 H108 Ca2 N4 O4 -","1","0.5","","Christian Ruspic; Sharanappa Nembenna; Anja Hofmeister; Jörg Magull; Sjoerd Harder; Herbert W. Roesky","A Well-Defined Hydrocarbon-Soluble Calcium Hydroxide: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2006","128","","15000","15004","10.1021/ja065631t","","","0.71073","MoKα","","0.1152","0.0561","","","0.0802","0.089","","","","","","0.942","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111108","12.772","0.0003","13.1364","0.0003","14.9127","0.0004","94.776","0.001","111.066","0.001","116.428","0.001","2000.27","0.09","183","2","183","2","","","","","","","","5","P -1","-P 1","2","DIPPnacnacCaOH-OCPh2","","","- C45 H55 Ca N2 O2 -","- C45 H55 Ca N2 O2 -","- C90 H110 Ca2 N4 O4 -","2","1","","Christian Ruspic; Sharanappa Nembenna; Anja Hofmeister; Jörg Magull; Sjoerd Harder; Herbert W. Roesky","A Well-Defined Hydrocarbon-Soluble Calcium Hydroxide: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2006","128","","15000","15004","10.1021/ja065631t","","","0.71071","MoKα","","0.0543","0.0406","","","0.1089","0.1182","","","","","","1.041","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111109","48.19","0.005","12.5951","0.0013","22.291","0.002","90","","102.85","0.006","90","","13191","2","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DIPP-nacnacCaOH","","","- C66 H100 Ca2 N4 O4 -","- C66 H100 Ca2 N4 O4 -","- C528 H800 Ca16 N32 O32 -","8","1","","Christian Ruspic; Sharanappa Nembenna; Anja Hofmeister; Jörg Magull; Sjoerd Harder; Herbert W. Roesky","A Well-Defined Hydrocarbon-Soluble Calcium Hydroxide: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2006","128","","15000","15004","10.1021/ja065631t","","","0.71073","MoKα","","0.0855","0.0519","","","0.1319","0.152","","","","","","1.04","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111110","13.7837","0.0002","19.5766","0.0003","18.6673","0.0002","90","","109.756","0.0007","90","","4740.67","0.11","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","?","8","P 1 21/n 1","-P 2yn","14","","[Ti(NtBu)(Me3[9]aneN3)(u-Me)2AlMe2][B(C6F5)4]","","- C42 H44 Al B Cl2 F20 N4 Ti -","- C42 H44 Al B Cl2 F20 N4 Ti -","- C168 H176 Al4 B4 Cl8 F80 N16 Ti4 -","4","1","","Paul D. Bolton; Eric Clot; Andrew R. Cowley; Philip Mountford","AlMe3 and ZnMe2 Adducts of a Titanium Imido Methyl Cation: A Combined Crystallographic, Spectroscopic, and DFT Study","Journal of the American Chemical Society","2006","128","","15005","15018","10.1021/ja065638a","","","0.71073","MoKα","","0.0658","0.0359","","0.0533","0.0371","0.0371","","","","","","1.1037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111111","11.732","0.003","13.594","0.002","15.641","0.003","90","","104.161","0.008","90","","2418.7","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 N2 O W -","- C24 H42 N2 O W -","- C96 H168 N8 O4 W4 -","4","1","","Jenkins Y. K. Tsang; Chikako Fujita-Takayama; Miriam S. A. Buschhaus; Brian O. Patrick; Peter Legzdins","Concurrent N-H and α-C-H Bond Activations of Pyrrolidine and Piperidine under Ambient Conditions by 18e Tungsten Allyl Nitrosyl Complexes","Journal of the American Chemical Society","2006","128","","14762","14763","10.1021/ja065663g","","","0.71069","MoKα","","0.043","0.0262","","","0.0651","0.0665","","","","","","0.938","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111112","10.776","0.001","18.681","0.002","13.048","0.001","90","","98.56","0.005","90","","2597.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 N2 O W -","- C25 H44 N2 O W -","- C100 H176 N8 O4 W4 -","4","1","","Jenkins Y. K. Tsang; Chikako Fujita-Takayama; Miriam S. A. Buschhaus; Brian O. Patrick; Peter Legzdins","Concurrent N-H and α-C-H Bond Activations of Pyrrolidine and Piperidine under Ambient Conditions by 18e Tungsten Allyl Nitrosyl Complexes","Journal of the American Chemical Society","2006","128","","14762","14763","10.1021/ja065663g","","","0.71069","MoKα","","0.0252","0.0201","","","0.0472","0.0502","","","","","","1.065","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111113","12.6452","0.0004","8.1081","0.0003","22.9995","0.0008","90","","95.311","0.002","90","","2347.98","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 N2 O W -","- C23 H40 N2 O W -","- C92 H160 N8 O4 W4 -","4","1","","Jenkins Y. K. Tsang; Chikako Fujita-Takayama; Miriam S. A. Buschhaus; Brian O. Patrick; Peter Legzdins","Concurrent N-H and α-C-H Bond Activations of Pyrrolidine and Piperidine under Ambient Conditions by 18e Tungsten Allyl Nitrosyl Complexes","Journal of the American Chemical Society","2006","128","","14762","14763","10.1021/ja065663g","","","0.71073","MoKα","","0.0252","0.02","","","0.048","0.05","","","","","","1.061","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111114","8.983","0.002","16.458","0.004","12.047","0.003","90","","108.031","0.004","90","","1693.6","0.7","133","","133","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O -","- C24 H18 O -","- C96 H72 O4 -","4","1","","Paul A. Wender; Thomas J. Paxton; Travis J. Williams","Cyclopentadienone Synthesis by Rhodium(I)-Catalyzed [3 + 2] Cycloaddition Reactions of Cyclopropenones and Alkynes","Journal of the American Chemical Society","2006","128","","14814","14815","10.1021/ja065868p","","","0.71073","MoKα","","0.1116","0.0577","","","0.1378","0.1716","","","","","","0.94","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111115","8.976","0.004","24.23","0.012","10.021","0.005","90","","111.058","0.006","90","","2033.9","1.7","143","","143","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H22 O3 -","- C27 H22 O3 -","- C108 H88 O12 -","4","1","","Paul A. Wender; Thomas J. Paxton; Travis J. Williams","Cyclopentadienone Synthesis by Rhodium(I)-Catalyzed [3 + 2] Cycloaddition Reactions of Cyclopropenones and Alkynes","Journal of the American Chemical Society","2006","128","","14814","14815","10.1021/ja065868p","","","0.71073","MoKα","","0.0885","0.0511","","","0.1216","0.1419","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111116","12.4589","0.0017","23.392","0.003","14.92","0.002","90","","99.347","0.003","90","","4290.5","1","148","","148","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C61 H40 O -","- C61 H40 O -","- C244 H160 O4 -","4","1","","Paul A. Wender; Thomas J. Paxton; Travis J. Williams","Cyclopentadienone Synthesis by Rhodium(I)-Catalyzed [3 + 2] Cycloaddition Reactions of Cyclopropenones and Alkynes","Journal of the American Chemical Society","2006","128","","14814","14815","10.1021/ja065868p","","","0.71073","MoKα","","0.0731","0.0432","","","0.0993","0.1108","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111117","15.8979","0.0014","5.7353","0.0007","15.816","0.0015","90","","90.979","0.006","90","","1441.9","0.3","150","1","150","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Ryan Hili; Andrei K. Yudin","Readily Available Unprotected Amino Aldehydes","Journal of the American Chemical Society","2006","128","","14772","14773","10.1021/ja065898s","","","0.71073","MoKα","","0.0848","0.0465","","","0.0979","0.1156","","","","","","1.043","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111118","7.9853","0.0009","10.9831","0.0014","12.159","0.0013","90.291","0.006","98.77","0.006","102.687","0.006","1027.4","0.2","150","1","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H25 N3 -","- C26 H25 N3 -","- C52 H50 N6 -","2","1","","Ryan Hili; Andrei K. Yudin","Readily Available Unprotected Amino Aldehydes","Journal of the American Chemical Society","2006","128","","14772","14773","10.1021/ja065898s","","","0.71073","MoKα","","0.1085","0.0614","","","0.1483","0.178","","","","","","1.002","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111119","10.2004","0.0015","13.1685","0.0019","14.655","0.002","80.935","0.002","71.599","0.002","78.763","0.002","1822.3","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H40 F3 N O3 P Rh S -","- C39 H40 F3 N O3 P Rh S -","- C78 H80 F6 N2 O6 P2 Rh2 S2 -","2","1","","Joan Vignolle; Bruno Donnadieu; Didier Bourissou; Michèle Soleilhavoup; Guy Bertrand","Cyclic C-Amino Phosphorus Ylides as a Source of Bidentate Heteroditopic Ligands (Phosphine/Aminocarbene) for Transition Metals","Journal of the American Chemical Society","2006","128","","14810","14811","10.1021/ja0662725","","","0.71073","MoKα","","0.065","0.0488","","","0.1159","0.1222","","","","","","0.989","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111120","17.7471","0.0012","8.8609","0.0006","13.0417","0.0009","90","","108.767","0.003","90","","1941.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H33 Cl2 N4 P Pd -","- C13 H33 Cl2 N4 P Pd -","- C52 H132 Cl8 N16 P4 Pd4 -","4","1","","Joan Vignolle; Bruno Donnadieu; Didier Bourissou; Michèle Soleilhavoup; Guy Bertrand","Cyclic C-Amino Phosphorus Ylides as a Source of Bidentate Heteroditopic Ligands (Phosphine/Aminocarbene) for Transition Metals","Journal of the American Chemical Society","2006","128","","14810","14811","10.1021/ja0662725","","","0.71073","MoKα","","0.0242","0.0185","","","0.0453","0.0478","","","","","","1.03","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111121","9.6","0.0003","18.8209","0.0005","33.2053","0.001","90","","92.565","0.001","90","","5993.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cl2 N P Pd -","- C28 H34 Cl2 N P Pd -","- C224 H272 Cl16 N8 P8 Pd8 -","8","2","","Joan Vignolle; Bruno Donnadieu; Didier Bourissou; Michèle Soleilhavoup; Guy Bertrand","Cyclic C-Amino Phosphorus Ylides as a Source of Bidentate Heteroditopic Ligands (Phosphine/Aminocarbene) for Transition Metals","Journal of the American Chemical Society","2006","128","","14810","14811","10.1021/ja0662725","","","0.71073","MoKα","","0.0694","0.0425","","","0.0939","0.1027","","","","","","0.919","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111122","13.0253","0.0004","14.6703","0.0005","17.4565","0.0006","98.194","0.002","94.66","0.002","100.156","0.002","3230.46","0.19","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H56 F6 N2 O6 P2 Pd2 S2 -","- C68 H56 F6 N2 O6 P2 Pd2 S2 -","- C136 H112 F12 N4 O12 P4 Pd4 S4 -","2","1","","Joan Vignolle; Bruno Donnadieu; Didier Bourissou; Michèle Soleilhavoup; Guy Bertrand","Cyclic C-Amino Phosphorus Ylides as a Source of Bidentate Heteroditopic Ligands (Phosphine/Aminocarbene) for Transition Metals","Journal of the American Chemical Society","2006","128","","14810","14811","10.1021/ja0662725","","","0.71073","MoKα","","0.0426","0.0313","","","0.0806","0.0856","","","","","","1.07","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111123","14.004","0.0003","15.699","0.0006","16.6964","0.0004","109.117","0.002","113.384","0.001","98.152","0.002","3023.03","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C59.35 H60.15 B F15 N4 O3 Zn2 -","- C59.35 H60.15 B F15 N4 O3 Zn2 -","- C118.7 H120.3 B2 F30 N8 O6 Zn4 -","2","1","","Logan E. Garner; Hongping Zhu; Mark L. Hlavinka; John R. Hagadorn; Eugene Y.-X. Chen","Cationic Zinc Enolates as Highly Active Catalysts for Acrylate Polymerization","Journal of the American Chemical Society","2006","128","","14822","14823","10.1021/ja066401h","","","0.71073","MoKα","","0.1737","0.0655","","","0.148","0.1855","","","","","","1.016","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111124","8.2717","0.0006","8.2798","0.0005","9.1507","0.0007","72.459","0.003","88.762","0.004","75.142","0.003","576.54","0.07","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H13 Br O6 -","- C11 H13 Br O6 -","- C22 H26 Br2 O12 -","2","2","","Xiaoguang Lei; John A. Porco","Total Synthesis of the Diazobenzofluorene Antibiotic (-)-Kinamycin C1","Journal of the American Chemical Society","2006","128","","14790","14791","10.1021/ja066621v","","","0.71073","MoKα","","0.0286","0.0257","","","0.065","0.0658","","","","","","1.062","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111125","33.186","0.005","66.054","0.01","14.882","0.002","90","","110.699","0.002","90","","30517","8","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","MOF-Fe/AgOTf-1","","","- C160 H123 Ag3 F9 Fe3 N29 O9 S3 -","- C160 H123 Ag3 F9 Fe3 N29 O9 S3 -","- C1280 H984 Ag24 F72 Fe24 N232 O72 S24 -","8","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.162","0.0847","","","0.2048","0.2314","","","","","","1.029","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111126","15.874","0.002","24.606","0.003","16.377","0.002","90","","110.009","0.002","90","","6010.7","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","MOF-Fe/AgSbF~6~-1","","","- C53 H42 Ag F6 Fe N10 Sb -","- C53 H42 Ag F6 Fe N10 Sb -","- C212 H168 Ag4 F24 Fe4 N40 Sb4 -","4","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.1297","0.107","","","0.2651","0.2759","","","","","","1.078","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111127","33.41","0.02","26.932","0.016","12.365","0.008","90","","91.533","0.01","90","","11122","12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","MOF-Co/AgBF~4~-1","","","- C84 H60 Ag2 B2 Co2 F8 N18 -","- C42 H30 Ag B1.0015 Co F4.0015 N9 -","- C336 H240 Ag8 B8.012 Co8 F32.012 N72 -","8","2","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.1155","0.0857","","","0.2445","0.2628","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111128","15.7911","0.0014","25.454","0.002","16.3779","0.0014","90","","109.824","0.001","90","","6192.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","MOF-Co/AgSbF~6~-1","","","- C54.2 H43.2 Ag Co F6 N10 Sb -","- C54.2 H43.2 Ag Co F6 N10 Sb -","- C216.8 H172.8 Ag4 Co4 F24 N40 Sb4 -","4","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0802","0.0695","","","0.1902","0.1968","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111129","13.089","0.003","16.265","0.003","16.105","0.003","110.124","0.003","112.084","0.003","98.571","0.003","2826.3","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","MOF-Fe/AgPF~6~-1","","","- C58 H43.5 Ag F6 Fe N12.5 P -","- C58 H43.5 Ag F6 Fe N12.5 P -","- C116 H87 Ag2 F12 Fe2 N25 P2 -","2","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0683","0.0508","","","0.1347","0.1449","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111130","13.12","0.003","16.111","0.003","16.134","0.003","110.178","0.003","112.416","0.003","97.335","0.003","2824","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","MOF-Co/AgPF~6~-1","","","- C45 H33 Ag Co F6 N9 P -","- C45 H33 Ag Co F6 N9 P -","- C90 H66 Ag2 Co2 F12 N18 P2 -","2","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0739","0.0652","","","0.1765","0.1815","","","","","","1.072","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111131","25.322","0.005","25.322","0.005","14.746","0.006","90","","90","","120","","8188","4","150","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Co(4-quindpm)~3~","","","- C54 H36 Co N9 -","- C54 H36 Co N9 -","- C324 H216 Co6 N54 -","6","0.333333","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0941","0.0732","","","0.2469","0.2615","","","","","","1.116","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111132","24.601","0.005","16.546","0.004","65.775","0.014","90","","90","","90","","26774","10","150","2","150","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","MOF-Fe/AgOTf-3","","","- C54 H36 Ag Fe N9 -","- C54 H36 Ag Fe N9 -","- C864 H576 Ag16 Fe16 N144 -","16","0.5","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.1132","0.0608","","","0.1638","0.1809","","","","","","0.756","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111133","25.335","0.008","25.335","0.008","14.613","0.009","90","","90","","120","","8123","6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Fe(quindpm)~3~","","","- C54 H36 Fe N9 -","- C54 H36 Fe N9 -","- C324 H216 Fe6 N54 -","6","0.333333","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0872","0.0759","","","0.2468","0.2563","","","","","","1.136","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111134","26.914","0.007","12.327","0.003","33.375","0.008","90","","90","","90","","11073","5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","MOF-Co/AgOTf/BF~4~-1","","","- C42 H30 Ag B Co F4 N9 -","- C42 H30 Ag B Co F4 N9 -","- C336 H240 Ag8 B8 Co8 F32 N72 -","8","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.1575","0.0975","","","0.2579","0.2856","","","","","","1.045","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111135","26.847","0.002","12.6272","0.001","33.438","0.003","90","","90","","90","","11335.6","1.6","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","MOF-Co/AgOTF/PF~6~-1","","","- C42 H30 Ag Co F6 N9 P -","- C42 H30 Ag Co F6 N9 P -","- C336 H240 Ag8 Co8 F48 N72 P8 -","8","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0756","0.0514","","","0.1316","0.1396","","","","","","1.062","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111136","9.4031","0.0017","18.794","0.004","22.803","0.004","91.311","0.003","94.99","0.003","94.994","0.003","3997.4","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","MOF-Co/AgBF~4~-4","","","- C74 H51 Ag B Co F4 N10 -","- C74 H51 Ag B Co F4 N10 -","- C148 H102 Ag2 B2 Co2 F8 N20 -","2","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0843","0.0663","","","0.1713","0.179","","","","","","0.944","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111137","15.2681","0.0012","20.2619","0.0016","21.5668","0.0017","69.49","0.001","84.285","0.001","87.069","0.002","6217","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Co(44-pyrdpm)~3~","","","- C145 H113 Cl3 Co2 N18 -","- C145 H113 Cl3 Co2 N18 -","- C290 H226 Cl6 Co4 N36 -","2","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0989","0.0661","","","0.1666","0.181","","","","","","1.063","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111138","26.813","0.003","12.6035","0.0012","33.472","0.003","90","","90","","90","","11311.4","1.9","100","2","100","2","","","","","","","","9","P b c n","-P 2n 2ab","60","MOF-CoFe/AgOTf-1","","","- C86 H60 Ag2 Co F6 Fe N18 O6 S2 -","- C86 H60 Ag2 Co F6 Fe N18 O6 S2 -","- C344 H240 Ag8 Co4 F24 Fe4 N72 O24 S8 -","4","0.5","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0796","0.0718","","","0.1619","0.1647","","","","","","1.106","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111139","26.939","0.006","12.335","0.003","33.458","0.007","90","","90","","90","","11118","4","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","MOF-CoFe/AgBF~4~-1","","","- C84 H60 Ag2 B2 Co F8 Fe N18 -","- C84 H60 Ag2 B2 Co F8 Fe N18 -","- C336 H240 Ag8 B8 Co4 F32 Fe4 N72 -","4","0.5","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.1256","0.0738","","","0.188","0.209","","","","","","1.03","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111140","9.4026","0.0013","19.385","0.003","22.645","0.003","93.82","0.002","95.353","0.002","92.8","0.002","4094.1","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","MOF-Co/AgPF~6~-4","","","- C90 H66 Ag Co F6 N9 P -","- C90 H66 Ag Co F6 N9 P -","- C180 H132 Ag2 Co2 F12 N18 P2 -","2","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.1213","0.0845","","","0.221","0.2358","","","","","","1.043","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111141","9.3693","0.0009","19.3886","0.0019","22.869","0.002","94.659","0.002","94.855","0.002","91.655","0.002","4123.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","MOF-Co/AgOTf-4","","","- C93 H69 Ag Co F3 N10 O3 S -","- C93 H69 Ag Co F3 N10 O3 S -","- C186 H138 Ag2 Co2 F6 N20 O6 S2 -","2","1","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0569","0.0468","","","0.1188","0.123","","","","","","1.045","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111142","11.9791","0.0018","13.461","0.002","30.871","0.005","90","","90","","90","","4978","1.3","173","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","{[Me3NN]Cu}2(m-NAr)","","","- C54 H67 Cu2 N5 -","- C54 H67 Cu2 N5 -","- C216 H268 Cu8 N20 -","4","1","","Yosra M. Badiei; Ammani Krishnaswamy; Marie M. Melzer; Timothy H. Warren","Transient Terminal Cu-Nitrene Intermediates from Discrete Dicopper Nitrenes","Journal of the American Chemical Society","2006","128","","15056","15057","10.1021/ja065299l","","","0.71073","MoKα","","0.1128","0.0577","","","0.1189","0.1326","","","","","","1.01","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111143","18.653","0.01","12.512","0.004","15.179","0.005","90","","111.563","0.016","90","","3295","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Me3NN]Cu(ArN=PMe3)","","","- C34 H47 Cu N3 P -","- C34 H47 Cu N3 P -","- C136 H188 Cu4 N12 P4 -","4","1","","Yosra M. Badiei; Ammani Krishnaswamy; Marie M. Melzer; Timothy H. Warren","Transient Terminal Cu-Nitrene Intermediates from Discrete Dicopper Nitrenes","Journal of the American Chemical Society","2006","128","","15056","15057","10.1021/ja065299l","","","0.71073","MoKα","","0.0899","0.0484","","","0.1095","0.1197","","","","","","0.975","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111144","15.233","0.0016","13.7399","0.0014","25.621","0.003","90","","90","","90","","5362.5","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[Me3NN]Cu(CNBut)","","","- C28 H38 Cu N3 -","- C28 H38 Cu N3 -","- C224 H304 Cu8 N24 -","8","1","","Yosra M. Badiei; Ammani Krishnaswamy; Marie M. Melzer; Timothy H. Warren","Transient Terminal Cu-Nitrene Intermediates from Discrete Dicopper Nitrenes","Journal of the American Chemical Society","2006","128","","15056","15057","10.1021/ja065299l","","","0.71073","MoKα","","0.0502","0.0329","","","0.0923","0.0991","","","","","","1.093","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111145","13.8297","0.0003","5.8719","0.0001","18.6094","0.0003","90","","92.9475","0.0009","90","","1509.21","0.05","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","2","","Claudio Palomo; Mikel Oiarbide; Rosa López; Pedro B. González; Enrique Gómez-Bengoa; José M. Saá; Anthony Linden","Intramolecular Sulfur Transfer in N-Enoyl Oxazolidine-2-thiones Promoted by Brønsted Acids. Practical Asymmetric Synthesis of β-Mercapto Carboxylic Acids and Mechanistic Insights","Journal of the American Chemical Society","2006","128","","15236","15247","10.1021/ja0654027","","","0.71073","MoKα","","0.0488","0.0359","","","0.078","0.0846","","","","","","1.042","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4111146","6.8389","0.0001","8.3595","0.0001","21.712","0.0003","90","","90","","90","","1241.27","0.03","160","1","160","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl N O2 S -","- C10 H16 Cl N O2 S -","- C40 H64 Cl4 N4 O8 S4 -","4","1","","Claudio Palomo; Mikel Oiarbide; Rosa López; Pedro B. González; Enrique Gómez-Bengoa; José M. Saá; Anthony Linden","Intramolecular Sulfur Transfer in N-Enoyl Oxazolidine-2-thiones Promoted by Brønsted Acids. Practical Asymmetric Synthesis of β-Mercapto Carboxylic Acids and Mechanistic Insights","Journal of the American Chemical Society","2006","128","","15236","15247","10.1021/ja0654027","","","0.71073","MoKα","","0.0483","0.0389","","0.0365","0.0359","0.0359","","","2.482","","","2.442","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111147","6.4393","0.0001","14.0592","0.0003","22.5672","0.0004","90","","90","","90","","2043.04","0.06","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O6 S -","- C20 H24 N2 O6 S -","- C80 H96 N8 O24 S4 -","4","1","","Claudio Palomo; Mikel Oiarbide; Rosa López; Pedro B. González; Enrique Gómez-Bengoa; José M. Saá; Anthony Linden","Intramolecular Sulfur Transfer in N-Enoyl Oxazolidine-2-thiones Promoted by Brønsted Acids. Practical Asymmetric Synthesis of β-Mercapto Carboxylic Acids and Mechanistic Insights","Journal of the American Chemical Society","2006","128","","15236","15247","10.1021/ja0654027","","","0.71073","MoKα","","0.0604","0.041","","","0.0886","0.0975","","","","","","1.057","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111148","17.127","0.003","18.127","0.003","22.045","0.003","87.057","0.003","67.666","0.003","70.904","0.003","5961.4","1.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","Toluene solvate of p-tBu-calix5arene","","","- C138 H172 O10 -","- C137 H156 O10 -","- C274 H312 O20 -","2","1","","Praveen K. Thallapally; Scott J. Dalgarno; Jerry L. Atwood","Frustrated Organic Solids Display Unexpected Gas Sorption","Journal of the American Chemical Society","2006","128","","15060","15061","10.1021/ja065499x","","","0.71073","MoKα","","0.1143","0.0788","","","0.218","0.2488","","","","","","1.043","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111149","12.78","0.003","25.035","0.006","15.34","0.004","90","","90","","90","","4908","2","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Sublimed p-tBu-calix5arene","","","- C27.5 H35 O2.5 -","- C27.505 H35.15 O2.5 -","- C220.04 H281.2 O20 -","8","1","","Praveen K. Thallapally; Scott J. Dalgarno; Jerry L. Atwood","Frustrated Organic Solids Display Unexpected Gas Sorption","Journal of the American Chemical Society","2006","128","","15060","15061","10.1021/ja065499x","","","0.71073","MoKα","","0.1874","0.0918","","","0.1675","0.2005","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111150","15.243","0.0009","17.3351","0.0011","15.0018","0.0009","90","","120.534","0.001","90","","3414.4","0.4","223","2","223","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C78 H92 Cd2 -","- C78 H96 Cd2 -","- C156 H192 Cd4 -","2","0.25","","Zhongliang Zhu; Roland C. Fischer; James C. Fettinger; Eric Rivard; Marcin Brynda; Philip P. Power","Synthesis, Structural Characterization, and Spectroscopy of the Cadmium-Cadmium Bonded Molecular Species Ar'CdCdAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2)","Journal of the American Chemical Society","2006","128","","15068","15069","10.1021/ja066108h","","","0.71073","MoKα","","0.0569","0.0363","","","0.0915","0.1018","","","","","","1.045","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111151","5.5625","0.0006","18.3979","0.0018","18.5522","0.0018","90","","90","","90","","1898.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br O4 -","- C21 H19 Br O4 -","- C84 H76 Br4 O16 -","4","1","","Ming He; Gerson J. Uc; Jeffrey W. Bode","Chiral N-Heterocyclic Carbene Catalyzed, Enantioselective Oxodiene Diels-Alder Reactions with Low Catalyst Loadings","Journal of the American Chemical Society","2006","128","","15088","15089","10.1021/ja066380r","","","0.71073","MoKα","","0.0959","0.0423","","","0.0929","0.1145","","","","","","1.003","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111152","4.1107","0.00004","11.7953","0.0001","18.6524","0.0002","90","","90","","90","","904.398","0.015","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","HBPSTMe","","","- C6 H4 N3 S2 Se2 -","- C6 H4 N3 S2 Se2 -","- C24 H16 N12 S8 Se8 -","4","1","","Jaclyn L. Brusso; Kristina Cvrkalj; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; Craig M. Robertson","Resonance Stabilized Bisdiselenazolyls as Neutral Radical Conductors","Journal of the American Chemical Society","2006","128","","15080","15081","10.1021/ja0666856","","","1.54178","CuKα","","0.0222","0.0213","","","0.0579","0.0586","","","","","","1.063","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111153","4.199","0.005","12.181","0.013","18.637","0.021","90","","90","","90","","953.2","1.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 N3 Se4 -","- C6 H4 N3 Se4 -","- C24 H16 N12 Se16 -","4","1","","Jaclyn L. Brusso; Kristina Cvrkalj; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; Craig M. Robertson","Resonance Stabilized Bisdiselenazolyls as Neutral Radical Conductors","Journal of the American Chemical Society","2006","128","","15080","15081","10.1021/ja0666856","powder diffraction","x-ray","1.54056","Kα~1~","","","","","","","","0.09425","","5022.95","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4111154","6.6268","0.0002","11.6519","0.0005","13.942","0.0006","90","","90","","90","","1076.53","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 O2 -","- C11 H18 O2 -","- C44 H72 O8 -","4","1","","Ryan M. Moslin; Timothy F. Jamison","Highly Convergent Total Synthesis of (+)-Acutiphycin","Journal of the American Chemical Society","2006","128","","15106","15107","10.1021/ja0670660","","","0.71073","MoKα","","0.0354","0.0343","","","0.0903","0.0921","","","","","","1.098","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111155","11.609","0.0006","16.6719","0.0009","24.1579","0.0014","90","","90","","90","","4675.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H72 O8 Si -","- C47 H72 O8 Si -","- C188 H288 O32 Si4 -","4","1","","Ryan M. Moslin; Timothy F. Jamison","Highly Convergent Total Synthesis of (+)-Acutiphycin","Journal of the American Chemical Society","2006","128","","15106","15107","10.1021/ja0670660","","","0.71073","MoKα","","0.0533","0.0464","","","0.1278","0.1352","","","","","","1.041","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111156","6.74156","0.00028","13.9904","0.0006","25.7097","0.0009","90","","90","","90","","2424.86","0.17","","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O4 -","- C28 H37 N O4 -","- C112 H148 N4 O16 -","4","1","","Eugene Y. Cheung; Kenneth D.M. Harris; Ting Kang; John R. Scheffer; James Trotter","Structure-Reactivity Correlations for Solid-State Enantioselective Photochemical Reactions Established Directly from Powder X-ray Diffraction","Journal of the American Chemical Society","2006","128","","15554","15555","10.1021/ja063706n","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.21019","","","","","","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111157","6.73624","0.00034","13.97","0.0011","25.6874","0.0013","90","","90","","90","","2417.3","0.3","","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O4 -","- C28 H37 N O4 -","- C112 H148 N4 O16 -","4","1","","Eugene Y. Cheung; Kenneth D.M. Harris; Ting Kang; John R. Scheffer; James Trotter","Structure-Reactivity Correlations for Solid-State Enantioselective Photochemical Reactions Established Directly from Powder X-ray Diffraction","Journal of the American Chemical Society","2006","128","","15554","15555","10.1021/ja063706n","powder diffraction","x-ray","1.54056","","","","","","","","","0.23624","","3.94","","","","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111158","14.1919","0.0008","6.4486","0.0004","24.4322","0.0015","90","","91.697","0.004","90","","2235","0.2","","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C104 H132 N4 O12 -","4","2","","Eugene Y. Cheung; Kenneth D.M. Harris; Ting Kang; John R. Scheffer; James Trotter","Structure-Reactivity Correlations for Solid-State Enantioselective Photochemical Reactions Established Directly from Powder X-ray Diffraction","Journal of the American Chemical Society","2006","128","","15554","15555","10.1021/ja063706n","powder diffraction","x-ray","1.54056","","","","","","","","","0.33914","","5.15","","","","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111159","10.585","0.004","12.885","0.004","33.765","0.011","90","","98.928","0.004","90","","4549","3","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[LZn2La(OAc)3] 2CHCl3","","","- C36 H37 Cl6 La N4 O16 Zn2 -","- C36 H37 Cl6 La N4 O16 Zn2 -","- C144 H148 Cl24 La4 N16 O64 Zn8 -","4","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0807","0.072","","","0.1654","0.1703","","","","","","1.027","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111160","35.296","0.019","13.172","0.006","23.548","0.013","90","","121.983","0.006","90","","9286","8","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Ce(OAc)3] 3MeOH CHCl3","","","- C38 H48 Ce Cl3 N4 O19 Zn2 -","- C38 H48 Ce Cl3 N4 O19 Zn2 -","- C304 H384 Ce8 Cl24 N32 O152 Zn16 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.125","0.0909","","","0.2238","0.2439","","","","","","1.073","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111161","35.42","0.02","13.147","0.008","23.595","0.015","90","","122.261","0.0017","90","","9291","10","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Pr(OAc)3] 3MeOH CHCl3 0.25H2O","","","- C38 H48.5 Cl3 N4 O19.25 Pr Zn2 -","- C38 H48 Cl3 N4 O19.25 Pr Zn2 -","- C304 H384 Cl24 N32 O154 Pr8 Zn16 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0623","0.0488","","","0.1114","0.1186","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111162","35.185","0.012","13.183","0.004","23.446","0.008","90","","121.928","0.0013","90","","9230","5","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Nd(OAc)3] 3MeOH CHCl3 0.25H2O","","","- C38 H48.5 Cl3 N4 Nd O19.25 Zn2 -","- C38 H48 Cl3 N4 Nd O19.25 Zn2 -","- C304 H384 Cl24 N32 Nd8 O154 Zn16 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0463","0.04","","","0.1048","0.1089","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111163","35.331","0.016","13.172","0.006","23.515","0.011","90","","121.782","0.005","90","","9303","7","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Sm(OAc)3] 3MeOH CHCl3","","","- C38 H48 Cl3 N4 O19 Sm Zn2 -","- C38 H48 Cl3 N4 O19 Sm Zn2 -","- C304 H384 Cl24 N32 O152 Sm8 Zn16 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0694","0.0567","","","0.1443","0.1518","","","","","","1.037","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111164","35.388","0.014","13.185","0.005","23.55","0.009","90","","121.86","0.004","90","","9333","6","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Eu(OAc)3](MeOH)3(CHCl3)","","","- C38 H48 Cl3 Eu N4 O19 Zn2 -","- C38 H48 Cl3 Eu N4 O19 Zn2 -","- C304 H384 Cl24 Eu8 N32 O152 Zn16 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0611","0.051","","","0.1219","0.1271","","","","","","1.075","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111165","35.27","0.01","13.185","0.003","23.448","0.007","90","","121.68","0.0011","90","","9279","4","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Gd(OAc)3] 2.8MeOH CHCl3 0.5H2O","","","- C37.8 H48.2 Cl3 Gd N4 O19.3 Zn2 -","- C37.8 H47.2 Cl3 Gd N4 O19.3 Zn2 -","- C302.4 H377.6 Cl24 Gd8 N32 O154.4 Zn16 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.059","0.0467","","","0.0924","0.0974","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111166","12.948","0.009","13.222","0.008","13.435","0.008","73.867","0.019","83.2","0.02","86.92","0.02","2193","2","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn2Tb(OAc)3(MeOH)] (H2O)(Et2O)","","","- C39 H51 N4 O19 Tb Zn2 -","- C39 H51 N4 O19 Tb Zn2 -","- C78 H102 N8 O38 Tb2 Zn4 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0621","0.0546","","","0.135","0.1409","","","","","","1.071","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111167","13.019","0.007","13.279","0.006","13.444","0.007","74.158","0.012","83.194","0.014","87.2","0.016","2219.8","1.9","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn2Dy(OAc)3(MeOH)](H2O)(Et2O)","","","- C39 H51 Dy N4 O19 Zn2 -","- C39 H51 Dy N4 O19 Zn2 -","- C78 H102 Dy2 N8 O38 Zn4 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0522","0.0439","","","0.1085","0.1131","","","","","","1.036","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111168","13.0652","0.0009","13.2752","0.0008","13.4401","0.0007","74.31","0.003","83.016","0.002","87.0386","0.0019","2227.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","[LZn2Ho(OAc)3(MeOH)](H2O)(Et2O)","","","- C39 H51 Ho N4 O19 Zn2 -","- C39 H51 Ho N4 O19 Zn2 -","- C78 H102 Ho2 N8 O38 Zn4 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.05","0.0448","","","0.1174","0.1213","","","","","","1.037","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111169","13.027","0.006","13.282","0.006","13.479","0.006","74.017","0.012","83.078","0.014","86.972","0.014","2225.2","1.8","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn2Er(OAc)3(MeOH)](H2O)(Et2O)","","","- C39 H51 Er N4 O19 Zn2 -","- C39 H51 Er N4 O19 Zn2 -","- C78 H102 Er2 N8 O38 Zn4 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.05","0.0422","","","0.1059","0.1104","","","","","","1.03","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111170","13.6707","0.0012","15.3874","0.001","19.9724","0.0014","90","","94.805","0.002","90","","4186.6","0.5","180","","180","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[LZn2Tm(OAc)3(H2O)] CHCl3","","","- C35 H38 Cl3 N4 O17 Tm Zn2 -","- C35 H38 Cl3 N4 O17 Tm Zn2 -","- C140 H152 Cl12 N16 O68 Tm4 Zn8 -","4","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0674","0.0563","","","0.1382","0.1454","","","","","","1.055","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111171","13.646","0.003","15.274","0.003","19.81","0.004","90","","95.0519","0.0008","90","","4112.9","1.5","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[LZn2Yb(OAc)3(H2O)] CHCl3","","","- C35 H38 Cl3 N4 O17 Yb Zn2 -","- C35 H38 Cl3 N4 O17 Yb Zn2 -","- C140 H152 Cl12 N16 O68 Yb4 Zn8 -","4","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0467","0.0406","","","0.1078","0.1114","","","","","","1.054","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111172","13.675","0.008","15.847","0.008","18.766","0.01","90","","95.454","0.008","90","","4048","4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[LZn2Lu(OAc)3(H2O)]","","","- C37 H43 Lu N4 O18 Zn2 -","- C37 H43 Lu N4 O18 Zn2 -","- C148 H172 Lu4 N16 O72 Zn8 -","4","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.1172","0.0893","","","0.2017","0.2168","","","","","","1.074","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111173","12.297","0.006","16.082","0.008","21.117","0.01","95.05","0.008","95.675","0.009","94.16","0.007","4126","3","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn2Sc(OAc)2](NO3)(MeOH)2(EtOH)","","","- C36 H46 N5 O20 Sc Zn2 -","- C36 H46 N5 O20 Sc Zn2 -","- C144 H184 N20 O80 Sc4 Zn8 -","4","2","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.1159","0.0778","","","0.1546","0.1702","","","","","","1.087","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111174","12.38","0.005","12.893","0.006","13.2","0.007","88.92","0.014","85.99","0.016","67.455","0.01","1941.1","1.6","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn2Y(OAc)2(NO3)(MeOH)](MeOH)","","","- C34 H40 N5 O19 Y Zn2 -","- C34 H40 N5 O19 Y Zn2 -","- C68 H80 N10 O38 Y2 Zn4 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0647","0.0504","","","0.1203","0.1274","","","","","","1.057","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111175","10.824","0.004","15.726","0.006","22.462","0.009","90","","92.693","0.006","90","","3819","3","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Ca(MeOH)2](ClO4)2","","","- C30 H34 Ca Cl2 N4 O20 Zn2 -","- C30 H34 Ca Cl2 N4 O20 Zn2 -","- C120 H136 Ca4 Cl8 N16 O80 Zn8 -","4","0.5","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0434","0.0378","","","0.0874","0.0899","","","","","","1.057","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111176","11.991","0.002","12.906","0.003","14.366","0.004","67.548","0.005","72.491","0.007","84.174","0.009","1959.3","0.8","180","","180","","","","","","","","","7","P -1","-P 1","2","[LZn2Sr(OAc)2](CH2Cl2)","","","- C33 H34 Cl2 N4 O14 Sr Zn2 -","- C33 H34 Cl2 N4 O14 Sr Zn2 -","- C66 H68 Cl4 N8 O28 Sr2 Zn4 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0922","0.0667","","","0.1527","0.169","","","","","","1.051","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111177","13.1572","0.0005","13.8486","0.0012","15.78","0.0009","110.13","0.003","105.072","0.003","106.476","0.003","2375.8","0.3","180","","180","","","","","","","","","7","P -1","-P 1","2","LZn2Ba(Et2O)(CHCl3)0.5(H2O)1.5","","","- C36.5 H45.5 Ba Cl1.5 N4 O16.5 Zn2 -","- C36.5 H42.5 Ba Cl1.5 N4 O16.5 Zn2 -","- C73 H85 Ba2 Cl3 N8 O33 Zn4 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0871","0.0747","","","0.1928","0.2014","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111178","9.891","0.002","25.669","0.003","17.0297","0.001","90","","110.182","0.0007","90","","4058.2","1","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[LZn3(OAc)2(H2O)] acetone","","","- C35 H40 N4 O16 Zn3 -","- C35 H40 N4 O16 Zn3 -","- C140 H160 N16 O64 Zn12 -","4","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.1564","0.0644","","","0.104","0.1325","","","","","","0.971","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111179","12.2709","0.0006","12.4998","0.0008","14.6676","0.0007","95.04","0.002","104.269","0.0011","112.428","0.0006","1973.47","0.19","120","","120","","","","","","","","","5","P -1","-P 1","2","[LZn3(OAc)2(H2O)] 2acetone","","","- C36 H42 N4 O15 Zn3 -","- C36 H42 N4 O15 Zn3 -","- C72 H84 N8 O30 Zn6 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes","Journal of the American Chemical Society","2006","128","","15765","15774","10.1021/ja0646702","","","0.71069","MoKα","","0.0351","0.0287","","","0.0743","0.0769","","","","","","1.033","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111180","23.42","0.02","14.925","0.009","15.2","0.01","90","","128.983","0.009","90","","4130","5","253.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 N9 O3 -","- C21 H15 N9 O3 -","- C168 H120 N72 O24 -","8","1","","Shigeyuki Masaoka; Daisuke Tanaka; Hiroyuki Kitahata; Sumiko Araki; Ryotaro Matsuda; Kenichi Yoshikawa; Kenichi Kato; Masaki Takata; Susumu Kitagawa","Chemical Reaction-Inspired Crystal Growth of a Coordination Polymer toward Morphology Design and Control","Journal of the American Chemical Society","2006","128","","15799","15808","10.1021/ja065254k","","","0.7107","MoKα","","","0.0785","","","","0.1204","","","","","","1.304","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111181","17.512","0.0005","17.512","0.0005","28.1203","0.0012","90","","90","","90","","8623.7","0.5","200","2","200","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C42 H52 F5 N Ni P2 -","- C42 H52 F5 N Ni P2 -","- C336 H416 F40 N8 Ni8 P16 -","8","0.5","","Lan-Chang Liang; Pin-Shu Chien; Yu-Lun Huang","Intermolecular Arene C-H Activation by Nickel(II)","Journal of the American Chemical Society","2006","128","","15562","15563","10.1021/ja065505p","","","0.71073","MoKα","","0.0776","0.065","","","0.1793","0.1949","","","","","","0.828","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111182","9.1208","0.0004","16.66","0.0007","19.7408","0.0009","90","","93.678","0.002","90","","2993.5","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H43 N Ni P2 -","- C31 H43 N Ni P2 -","- C124 H172 N4 Ni4 P8 -","4","1","","Lan-Chang Liang; Pin-Shu Chien; Yu-Lun Huang","Intermolecular Arene C-H Activation by Nickel(II)","Journal of the American Chemical Society","2006","128","","15562","15563","10.1021/ja065505p","","","0.71073","MoKα","","0.1855","0.0926","","","0.201","0.2719","","","","","","1.065","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111183","12.6618","0.0018","10.2967","0.0015","18.735","0.003","90","","108.108","0.002","90","","2321.6","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H80 Cl2 O8 P4 Ru -","- C36 H80 Cl2 O8 P4 Ru -","- C72 H160 Cl4 O16 P8 Ru2 -","2","0.5","","Nathaniel K. Szymczak; Lev N. Zakharov; David R. Tyler","Solution Chemistry of a Water-Soluble η2-H2 Ruthenium Complex: Evidence for Coordinated H2 Acting as a Hydrogen Bond Donor","Journal of the American Chemical Society","2006","128","","15830","15835","10.1021/ja065532f","","","0.71073","MoKα","","0.0802","0.0611","","","0.1482","0.1602","","","","","","1.053","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111184","11.3593","0.0011","9.6066","0.0009","12.1731","0.0012","90","","109.728","0.002","90","","1250.4","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O3 -","- C30 H35 N O3 -","- C60 H70 N2 O6 -","2","1","","Robert B. Lettan; Troy E. Reynolds; Chris V. Galliford; Karl A. Scheidt","Synthesis of Tertiary β-Hydroxy Amides by Enolate Additions to Acylsilanes","Journal of the American Chemical Society","2006","128","","15566","15567","10.1021/ja065605v","","","0.71073","MoKα","","0.0427","0.0394","","","0.1054","0.109","","","","","","1.038","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111185","3.8941","0.0013","14.334","0.005","16.551","0.005","72.458","0.005","88.886","0.005","84.169","0.006","876.3","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H8 S6 -","- C22 H8 S6 -","- C44 H16 S12 -","2","1","","Alejandro L. Briseno; Qian Miao; Mang-Mang Ling; Colin Reese; Hong Meng; Zhenan Bao; Fred Wudl","Hexathiapentacene: Structure, Molecular Packing, and Thin-Film Transistors","Journal of the American Chemical Society","2006","128","","15576","15577","10.1021/ja066088j","","","0.71073","MoKα","","0.0732","0.0499","","","0.1208","0.1369","","","","","","1","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111186","14.3327","0.0001","16.482","0.0002","7.28","0.0001","90","","90","","90","","1719.77","0.03","300","","300","","","","","","","","","5","P n a m","-P 2c 2n","62","Bis(acetonitrile)tetracyanoethanide(1-)iron(II) tetrachloroferrate(III)","","","- C10 H6 Cl4 Fe2 N6 -","- C5 H3 Cl2 Fe N3 -","- C40 H24 Cl16 Fe8 N24 -","8","1","","Konstantin I. Pokhodnya; Michael Bonner; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller","Magnetic Ordering (Tc= 90 K) Observed for Layered [FeII(TCNE.-)(NCMe)2]+[FeIIICl4]- (TCNE = Tetracyanoethylene)","Journal of the American Chemical Society","2006","128","","15592","15593","10.1021/ja066744f","powder diffraction","","0.690779","","","","","","","","","","0.012","1.277","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111187","38.958","0.006","10.1794","0.0014","18.833","0.003","90","","113.247","0.0005","90","","6862.2","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C83 H75 B2 Cl3 N2 -","- C83 H74 B2 Cl3 N2 -","- C332 H296 B8 Cl12 N8 -","4","0.5","","Cui-Hua Zhao; Atsushi Wakamiya; Yuko Inukai; Shigehiro Yamaguchi","Highly Emissive Organic Solids Containing 2,5-Diboryl-1,4-phenylene Unit","Journal of the American Chemical Society","2006","128","","15934","15935","10.1021/ja0637550","","","0.7107","MoKα","","0.0747","0.0614","","","0.1496","0.16","","","","","","1.119","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111188","32.069","0.004","10.2951","0.0009","24.3702","0.0018","90","","129.23","0.02","90","","6232","2","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis-{1,3-di(isopropyl)-imidazol-2-ylidene}(heptafluorotolyl)(fluoro)nickel(II)","","- C27 H37 F8 N4 Ni O0.5 -","- C27 H37 F8 N4 Ni O0.5 -","- C216 H296 F64 N32 Ni8 O4 -","8","1","","Thomas Schaub; Marc Backes; Udo Radius","Catalytic C-C Bond Formation Accomplished by Selective C-F Activation of Perfluorinated Arenes","Journal of the American Chemical Society","2006","128","","15964","15965","10.1021/ja064068b","","","0.71073","MoKα","","0.1311","0.0659","","","0.142","0.1702","","","","","","0.961","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111189","5.858","0.0012","23.938","0.005","7.8425","0.0016","90","","90","","90","","1099.7","0.4","203","2","203","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","4-trifluoromethyl-2,3,5,6-tetrafluoro-biphenyl","","- C6.5 H2.5 F3.5 -","- C6.5 H2.5 F3.5 -","- C52 H20 F28 -","8","1","","Thomas Schaub; Marc Backes; Udo Radius","Catalytic C-C Bond Formation Accomplished by Selective C-F Activation of Perfluorinated Arenes","Journal of the American Chemical Society","2006","128","","15964","15965","10.1021/ja064068b","","","0.71073","MoKα","","0.0463","0.0316","","","0.0677","0.0739","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111190","7.899","0.007","8.782","0.007","8.98","0.008","84.7","0.02","81.32","0.02","82.5","0.02","608.9","0.9","293.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl2 Co N6 O2 -","- C24 H22 Cl2 Co N6 O2 -","- C24 H22 Cl2 Co N6 O2 -","1","0.5","","Kazuhiro Uemura; Kazuya Saito; Susumu Kitagawa; Hidetoshi Kita","Hydrogen-Bonded Porous Coordination Polymers: Structural Transformation, Sorption Properties, and Particle Size from Kinetic Studies","Journal of the American Chemical Society","2006","128","","16122","16130","10.1021/ja064152r","","","0.7107","MoKα","","","0.041","","","","0.1833","","","","","","1.691","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111191","11.371","0.002","10.063","0.001","15.5356","0.0004","90","","104.639","0.0007","90","","1720","0.4","293.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Co N8 O4 S2 -","- C32 H22 Co N8 O4 S2 -","- C64 H44 Co2 N16 O8 S4 -","2","0.5","","Kazuhiro Uemura; Kazuya Saito; Susumu Kitagawa; Hidetoshi Kita","Hydrogen-Bonded Porous Coordination Polymers: Structural Transformation, Sorption Properties, and Particle Size from Kinetic Studies","Journal of the American Chemical Society","2006","128","","16122","16130","10.1021/ja064152r","","","0.7107","MoKα","","","0.0652","","","","0.2253","","","","","","1.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111192","8.072","0.0007","9.76","0.001","11.26","0.001","107.235","0.005","104.6","0.006","101.293","0.003","784","0.13","213.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N8 O12 -","- C26 H28 Co N8 O12 -","- C26 H28 Co N8 O12 -","1","0.5","","Kazuhiro Uemura; Kazuya Saito; Susumu Kitagawa; Hidetoshi Kita","Hydrogen-Bonded Porous Coordination Polymers: Structural Transformation, Sorption Properties, and Particle Size from Kinetic Studies","Journal of the American Chemical Society","2006","128","","16122","16130","10.1021/ja064152r","","","0.7107","MoKα","","","0.0505","","","","0.193","","","","","","1.901","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111193","9.1676","0.0002","17.2652","0.0004","9.5031","0.0002","90","","99.498","0.001","90","","1483.54","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Rabih O. Al-Kaysi; Astrid M. Müller; Christopher J. Bardeen","Photochemically Driven Shape Changes of Crystalline Organic Nanorods","Journal of the American Chemical Society","2006","128","","15938","15939","10.1021/ja064535p","","","0.71073","MoKα","","0.0566","0.0426","","","0.1179","0.1266","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111194","39.156","0.001","14.1598","0.0004","11.7448","0.0003","90","","90","","90","","6511.8","0.3","100","2","100","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C39 H38.24 Cl1.76 O4.12 -","- C38.9999 H38.2416 Cl1.758 O4.1209 -","- C311.999 H305.933 Cl14.064 O32.9672 -","8","1","","Rabih O. Al-Kaysi; Astrid M. Müller; Christopher J. Bardeen","Photochemically Driven Shape Changes of Crystalline Organic Nanorods","Journal of the American Chemical Society","2006","128","","15938","15939","10.1021/ja064535p","","","0.71073","MoKα","","0.0714","0.0463","","","0.1228","0.1374","","","","","","1.035","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111195","16.6276","0.0013","17.0288","0.0014","17.8646","0.0015","100.294","0.001","103.371","0.001","92.617","0.002","4822","0.7","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H80 La2 -","- C51 H80 La2 -","- C204 H320 La8 -","4","2","","William J. Evans; Timothy M. Champagne; Joseph W. Ziller; Nikolas Kaltsoyannis","Planar Trimethylenemethane Dianion Chemistry of Lanthanide Metallocenes: Synthesis, Structure, Density Functional Theory Analysis, and Reactivity of [(C5Me5)2Ln]2[μ-η3:η3-C(CH2)3] Complexes","Journal of the American Chemical Society","2006","128","","16178","16189","10.1021/ja0645988","","","0.71073","MoKα","","0.0744","0.0402","","","0.0886","0.1027","","","","","","1.033","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111196","16.585","0.003","16.933","0.003","17.79","0.003","100.103","0.003","103.126","0.003","92.613","0.003","4771","1.5","168","2","168","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H80 Pr2 -","- C51 H80 Pr2 -","- C204 H320 Pr8 -","4","2","","William J. Evans; Timothy M. Champagne; Joseph W. Ziller; Nikolas Kaltsoyannis","Planar Trimethylenemethane Dianion Chemistry of Lanthanide Metallocenes: Synthesis, Structure, Density Functional Theory Analysis, and Reactivity of [(C5Me5)2Ln]2[μ-η3:η3-C(CH2)3] Complexes","Journal of the American Chemical Society","2006","128","","16178","16189","10.1021/ja0645988","","","0.71073","MoKα","","0.0986","0.0459","","","0.092","0.1114","","","","","","1.035","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111197","11.3111","0.0014","21.971","0.003","19.583","0.003","90","","99.897","0.003","90","","4794.3","1.1","158","2","158","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C51 H80 Nd2 -","- C51 H80 Nd2 -","- C204 H320 Nd8 -","4","1","","William J. Evans; Timothy M. Champagne; Joseph W. Ziller; Nikolas Kaltsoyannis","Planar Trimethylenemethane Dianion Chemistry of Lanthanide Metallocenes: Synthesis, Structure, Density Functional Theory Analysis, and Reactivity of [(C5Me5)2Ln]2[μ-η3:η3-C(CH2)3] Complexes","Journal of the American Chemical Society","2006","128","","16178","16189","10.1021/ja0645988","","","0.71073","MoKα","","0.0765","0.0441","","","0.0959","0.1144","","","","","","1.045","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111198","10.9985","0.0016","14.343","0.002","15.421","0.002","78.893","0.003","74.856","0.003","76.397","0.002","2259.9","0.5","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H78 Y2 -","- C50 H78 Y2 -","- C100 H156 Y4 -","2","1","","William J. Evans; Timothy M. Champagne; Joseph W. Ziller; Nikolas Kaltsoyannis","Planar Trimethylenemethane Dianion Chemistry of Lanthanide Metallocenes: Synthesis, Structure, Density Functional Theory Analysis, and Reactivity of [(C5Me5)2Ln]2[μ-η3:η3-C(CH2)3] Complexes","Journal of the American Chemical Society","2006","128","","16178","16189","10.1021/ja0645988","","","0.71073","MoKα","","0.0683","0.0512","","","0.152","0.1656","","","","","","1.052","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111199","18.4167","0.0016","21.6057","0.0018","35.253","0.003","90","","105.023","0.002","90","","13548","2","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H100 O2 Sm2 -","- C76 H100 O2 Sm2 -","- C608 H800 O16 Sm16 -","8","2","","William J. Evans; Timothy M. Champagne; Joseph W. Ziller; Nikolas Kaltsoyannis","Planar Trimethylenemethane Dianion Chemistry of Lanthanide Metallocenes: Synthesis, Structure, Density Functional Theory Analysis, and Reactivity of [(C5Me5)2Ln]2[μ-η3:η3-C(CH2)3] Complexes","Journal of the American Chemical Society","2006","128","","16178","16189","10.1021/ja0645988","","","0.71073","MoKα","","0.0708","0.0434","","","0.1098","0.1283","","","","","","1.064","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111200","10.642","0.002","10.657","0.002","13.974","0.003","103.89","0.003","105.111","0.003","90.892","0.003","1480.1","0.5","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C80 H60 N4 -","2","1","","Yabin Song; Chong'an Di; Xiaodi Yang; Shouping Li; Wei Xu; Yunqi Liu; Lianming Yang; Zhigang Shuai; Deqing Zhang; Daoben Zhu","A Cyclic Triphenylamine Dimer for Organic Field-Effect Transistors with High Performance","Journal of the American Chemical Society","2006","128","","15940","15941","10.1021/ja064726s","","","0.71073","MoKα","","0.0734","0.0458","","","0.1127","0.1343","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111201","13.76","0.006","14.269","0.006","16.488","0.007","90","","90","","90","","3237","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N4 O5 S -","- C15 H16 N4 O5 S -","- C120 H128 N32 O40 S8 -","8","1","","Cheol-Min Park; Tetsuro Oie; Andrew M. Petros; Haichao Zhang; Paul M. Nimmer; Rodger F. Henry; Steven W. Elmore","Design, Synthesis, and Computational Studies of Inhibitors of Bcl-XL","Journal of the American Chemical Society","2006","128","","16206","16212","10.1021/ja0650347","","","0.71073","MoKα","","0.045","0.041","","","0.1153","0.1181","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111202","8.455","0.009","17.191","0.018","10.498","0.011","90","","101.633","0.018","90","","1495","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O5 S -","- C14 H14 N4 O5 S -","- C56 H56 N16 O20 S4 -","4","1","","Cheol-Min Park; Tetsuro Oie; Andrew M. Petros; Haichao Zhang; Paul M. Nimmer; Rodger F. Henry; Steven W. Elmore","Design, Synthesis, and Computational Studies of Inhibitors of Bcl-XL","Journal of the American Chemical Society","2006","128","","16206","16212","10.1021/ja0650347","","","0.71073","MoKα","","0.0821","0.064","","","0.1361","0.1438","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111203","15.677","0.005","13.127","0.004","8.019","0.002","90","","95.39","0.006","90","","1642.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O5 S -","- C14 H14 N4 O5 S -","- C56 H56 N16 O20 S4 -","4","1","","Cheol-Min Park; Tetsuro Oie; Andrew M. Petros; Haichao Zhang; Paul M. Nimmer; Rodger F. Henry; Steven W. Elmore","Design, Synthesis, and Computational Studies of Inhibitors of Bcl-XL","Journal of the American Chemical Society","2006","128","","16206","16212","10.1021/ja0650347","","","0.71073","MoKα","","0.2482","0.0858","","","0.1546","0.2351","","","","","","0.945","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111204","15.722","0.001","13.153","0.0008","8.0242","0.0005","90","","95.403","0.004","90","","1651.96","0.18","","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O5 S -","- C14 H12 N4 O5 S -","- C56 H48 N16 O20 S4 -","4","1","","Cheol-Min Park; Tetsuro Oie; Andrew M. Petros; Haichao Zhang; Paul M. Nimmer; Rodger F. Henry; Steven W. Elmore","Design, Synthesis, and Computational Studies of Inhibitors of Bcl-XL","Journal of the American Chemical Society","2006","128","","16206","16212","10.1021/ja0650347","powder diffraction","","1.5418","CuKα","","","","","","","","","0.053","1.3","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111205","16.2805","0.0014","11.5155","0.001","14.393","0.0013","90","","90","","90","","2698.4","0.4","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H22 B6 Fe Ir O5 P -","- C24 H22 B6 Fe Ir O5 P -","- C96 H88 B24 Fe4 Ir4 O20 P4 -","4","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.0736","0.0434","","","0.0623","0.0709","","","","","","0.942","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111206","23.4241","0.0007","10.3614","0.0003","19.1827","0.0005","90","","98.371","0.001","90","","4606.2","0.2","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H39 B7 Cl Fe Ir O5 P2 -","- C41.5 H39 B7 Cl Fe Ir O5 P2 -","- C166 H156 B28 Cl4 Fe4 Ir4 O20 P8 -","4","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.0809","0.0465","","","0.0987","0.112","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111207","15.2841","0.0017","11.619","0.0013","31.968","0.004","90","","100.724","0.005","90","","5577.9","1.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H53 B6 Fe Ir2 O4 P3 -","- C59 H53 B6 Fe Ir2 O4 P3 -","- C236 H212 B24 Fe4 Ir8 O16 P12 -","4","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.051","0.0317","","","0.0521","0.0568","","","","","","1.011","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111208","10.7087","0.0007","15.2385","0.001","16.2322","0.0012","72.062","0.004","82.995","0.004","82.308","0.003","2488.2","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H50 B7 Fe2 Ir O6 P2 -","- C48 H50 B7 Fe2 Ir O6 P2 -","- C96 H100 B14 Fe4 Ir2 O12 P4 -","2","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.077","0.0461","","","0.0739","0.0827","","","","","","0.995","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111209","8.8989","0.0009","10.8924","0.001","16.6302","0.0015","105.488","0.003","93.845","0.004","96.441","0.004","1535.7","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 B7 Fe2 Ir O7 P -","- C26 H23 B7 Fe2 Ir O7 P -","- C52 H46 B14 Fe4 Ir2 O14 P2 -","2","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.0378","0.0308","","","0.0725","0.0764","","","","","","1.045","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111210","10.3944","0.0003","18.816","0.0006","21.2227","0.0006","90","","91.146","0.001","90","","4149.9","0.2","110","2","110","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40.5 H41 B6 Cl Fe Ir N2 O3 P -","- C40.5 H41 B6 Cl Fe Ir N2 O3 P -","- C162 H164 B24 Cl4 Fe4 Ir4 N8 O12 P4 -","4","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.0735","0.0416","","","0.0698","0.0806","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111211","22.865","0.0018","18.6091","0.0014","29.1411","0.0019","90","","90","","90","","12399.5","1.6","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H66 B7 Fe2 Ir N2 O5 P2 -","- C63 H66 B7 Fe2 Ir N2 O5 P2 -","- C504 H528 B56 Fe16 Ir8 N16 O40 P16 -","8","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.0839","0.0398","","","0.0649","0.0783","","","","","","1.019","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111212","19.035","0.003","9.295","0.0015","17.598","0.003","90","","116.169","0.013","90","","2794.5","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Br2 Cu2 N6 -","- C26 H28 Br2 Cu2 N6 -","- C104 H112 Br8 Cu8 N24 -","4","0.5","","Huadong Tang; Navamoney Arulsamy; Maciej Radosz; Youqing Shen; Nicolay V. Tsarevsky; Wade A. Braunecker; Wei Tang; Krzysztof Matyjaszewski","Highly Active Copper-Based Catalyst for Atom Transfer Radical Polymerization","Journal of the American Chemical Society","2006","128","","16277","16285","10.1021/ja0653369","","","0.71073","MoKα","","0.1443","0.0709","","","0.1609","0.2008","","","","","","1.015","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111213","13.566","0.003","15.149","0.002","14.131","0.002","90","","118.209","0.013","90","","2559.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Br2 Cu N6 -","- C26 H28 Br2 Cu N6 -","- C104 H112 Br8 Cu4 N24 -","4","1","","Huadong Tang; Navamoney Arulsamy; Maciej Radosz; Youqing Shen; Nicolay V. Tsarevsky; Wade A. Braunecker; Wei Tang; Krzysztof Matyjaszewski","Highly Active Copper-Based Catalyst for Atom Transfer Radical Polymerization","Journal of the American Chemical Society","2006","128","","16277","16285","10.1021/ja0653369","","","0.71073","MoKα","","0.1215","0.056","","","0.1265","0.1562","","","","","","0.989","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111214","12.62","0.0016","9.711","0.001","15.3682","0.0019","90","","99.605","0.015","90","","1857","0.4","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N2 O5 Re -","- C6 H7 N2 O5 Re -","- C48 H56 N16 O40 Re8 -","8","2","","Yu Liu; Jae Kyoung Pak; Paul Schmutz; Matthias Bauwens; John Mertens; Hector Knight; Roger Alberto","Amino Acids Labeled with [99mTc(CO)3]+ and Recognized by thel-type Amino Acid Transporter LAT1","Journal of the American Chemical Society","2006","128","","15996","15997","10.1021/ja066002m","","","0.71073","MoKα","","0.0651","0.0567","","","0.1366","0.1411","","","","","","0.997","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111215","17.0086","0.001","44.661","0.003","23.0053","0.0013","90","","104.252","0.002","90","","16937.5","1.8","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C172 H142 Cl2 N10 O4 P4 Rh2 S4 Zn2 -","- C173 H140 Cl2 N10 O3 P4 Rh2 S4 Zn2 -","- C692 H560 Cl8 N40 O12 P16 Rh8 S16 Zn8 -","4","0.5","","Christopher G. Oliveri; Nathan C. Gianneschi; SonBinh T. Nguyen; Chad A. Mirkin; Charlotte L. Stern; Zdzislaw Wawrzak; Maren Pink","Supramolecular Allosteric Cofacial Porphyrin Complexes","Journal of the American Chemical Society","2006","128","","16286","16296","10.1021/ja0661010","","","0.48595","SyKα","","0.1199","0.0937","","","0.2816","0.3081","","","","","","1.063","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111216","13.127","0.009","16.349","0.008","22.544","0.012","97.501","0.006","96.354","0.014","100.273","0.01","4675","5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H68 Cl2 Cu N7 O2 P2 Zn -","- C87 H68 Cl2 Cu N7 O2 P2 Zn -","- C174 H136 Cl4 Cu2 N14 O4 P4 Zn2 -","2","1","","Christopher G. Oliveri; Nathan C. Gianneschi; SonBinh T. Nguyen; Chad A. Mirkin; Charlotte L. Stern; Zdzislaw Wawrzak; Maren Pink","Supramolecular Allosteric Cofacial Porphyrin Complexes","Journal of the American Chemical Society","2006","128","","16286","16296","10.1021/ja0661010","","","0.71","MoKα","","0.1563","0.1089","","","0.2624","0.2787","","","","","","0.974","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111217","13.283","0.003","17.34","0.004","22.33","0.005","89.34","0.03","89.58","0.03","73.3","0.03","4926","2","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H78 Cl2 Cu N7 P2 S2 Zn -","- C87 H78 Cl2 Cu N7 P2 S2 Zn -","- C174 H156 Cl4 Cu2 N14 P4 S4 Zn2 -","2","1","","Christopher G. Oliveri; Nathan C. Gianneschi; SonBinh T. Nguyen; Chad A. Mirkin; Charlotte L. Stern; Zdzislaw Wawrzak; Maren Pink","Supramolecular Allosteric Cofacial Porphyrin Complexes","Journal of the American Chemical Society","2006","128","","16286","16296","10.1021/ja0661010","","","0.71073","MoKα","","0.1562","0.091","","","0.2107","0.2311","","","","","","0.863","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111218","13.9395","0.0013","17.1623","0.0017","20.894","0.002","83.044","0.002","73.368","0.002","74.25","0.002","4604.5","0.8","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C181 H166 Cl4 N12 O8 P4 Rh2 Zn2 -","- C173 H146 Cl4 N10 O8 P4 Rh2 Zn2 -","- C173 H146 Cl4 N10 O8 P4 Rh2 Zn2 -","1","0.5","","Christopher G. Oliveri; Nathan C. Gianneschi; SonBinh T. Nguyen; Chad A. Mirkin; Charlotte L. Stern; Zdzislaw Wawrzak; Maren Pink","Supramolecular Allosteric Cofacial Porphyrin Complexes","Journal of the American Chemical Society","2006","128","","16286","16296","10.1021/ja0661010","","","0.71073","MoKα","","0.1924","0.091","","","0.2301","0.2591","","","","","","0.912","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111219","11.2558","0.0011","14.5191","0.0017","21.579","0.002","99.54","0.002","91.222","0.004","110.178","0.002","3252.6","0.6","243","2","243","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H86 O4 W -","- C72 H74 O4 W -","- C144 H148 O8 W2 -","2","1","","Daniela Buccella; Gerard Parkin","p-tert-Butylcalix[4]arene Complexes of Molybdenum and Tungsten: Reactivity of the Calixarene Methylene CH Bond and the Facile Migration of the Metal around the Phenolic Rim of the Calixarene","Journal of the American Chemical Society","2006","128","","16358","16364","10.1021/ja066457b","","","0.71073","MoKα","","0.1585","0.0768","","","0.1555","0.1751","","","","","","1.03","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111220","13.0107","0.0006","13.963","0.0006","18.9093","0.0009","85.017","0.001","74.521","0.001","67.578","0.001","3059.9","0.2","243","2","243","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H92 O4 P3 W -","- C62 H92 O4 P3 W -","- C124 H184 O8 P6 W2 -","2","1","","Daniela Buccella; Gerard Parkin","p-tert-Butylcalix[4]arene Complexes of Molybdenum and Tungsten: Reactivity of the Calixarene Methylene CH Bond and the Facile Migration of the Metal around the Phenolic Rim of the Calixarene","Journal of the American Chemical Society","2006","128","","16358","16364","10.1021/ja066457b","","","0.71073","MoKα","","0.0593","0.0382","","","0.0686","0.0764","","","","","","1.051","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111221","13.0416","0.001","14.1131","0.001","19.0193","0.0014","86.228","0.002","74.798","0.002","65.808","0.002","3078","0.4","243","2","243","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H92 Mo O4 P3 -","- C62 H92 Mo O4 P3 -","- C124 H184 Mo2 O8 P6 -","2","1","","Daniela Buccella; Gerard Parkin","p-tert-Butylcalix[4]arene Complexes of Molybdenum and Tungsten: Reactivity of the Calixarene Methylene CH Bond and the Facile Migration of the Metal around the Phenolic Rim of the Calixarene","Journal of the American Chemical Society","2006","128","","16358","16364","10.1021/ja066457b","","","0.71073","MoKα","","0.0879","0.0486","","","0.1051","0.118","","","","","","1.031","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111222","12.073","0.004","13.341","0.004","23.989","0.003","90","","90","","90","","3863.8","1.8","140","2","140","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C47 H36 Br2 O4 -","- C47 H36 Br2 O4 -","- C188 H144 Br8 O16 -","4","0.5","","Manfred Schlosser; Frédéric Bailly","Embedding an Allylmetal Dimer in a Chiral Cavity: The Unprecedented Stereoselectivity of a Twofold Wittig [1,2]-Rearrangement","Journal of the American Chemical Society","2006","128","","16042","16043","10.1021/ja066462f","","","0.7107","MoKα","","0.0697","0.0482","","","0.1196","0.1322","","","","","","1.144","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111223","24.903","0.012","12.723","0.005","19.434","0.009","90","","106.001","0.012","90","","5919","5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H82 Mo2 N6 -","- C67 H82 Mo2 N6 -","- C268 H328 Mo8 N24 -","4","1","","A. S. Hock; Richard R. Schrock; Amir H. Hoveyda","Dipyrrolyl Precursors to Bisalkoxide Molybdenum Olefin Metathesis Catalysts","Journal of the American Chemical Society","2006","128","","16373","16375","10.1021/ja0665904","","","0.71073","MoKα","","0.0753","0.0412","","","0.0775","0.0901","","","","","","1.013","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111224","8.6083","0.0003","21.4647","0.0008","13.8064","0.0005","90","","102.656","0.002","90","","2489.09","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H39 F3 O3 P2 S -","- C19 H39 F3 O3 P2 S -","- C76 H156 F12 O12 P8 S4 -","4","1","","Joshua I. Bates; Derek P. Gates","Diphosphiranium (P2C) or Diphosphetanium (P2C2) Cyclic Cations: Different Fates for the Electrophile-Initiated Cyclodimerization of a Phosphaalkene","Journal of the American Chemical Society","2006","128","","15998","15999","10.1021/ja0667662","","","0.71069","MoKα","","0.0458","0.0338","","","0.0841","0.0897","","","","","","1.046","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111225","19.6306","0.0007","9.7464","0.0003","23.6322","0.0007","90","","90","","90","","4521.5","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H41 I P2 -","- C19 H41 I P2 -","- C152 H328 I8 P16 -","8","2","","Joshua I. Bates; Derek P. Gates","Diphosphiranium (P2C) or Diphosphetanium (P2C2) Cyclic Cations: Different Fates for the Electrophile-Initiated Cyclodimerization of a Phosphaalkene","Journal of the American Chemical Society","2006","128","","15998","15999","10.1021/ja0667662","","","0.71073","MoKα","","0.027","0.0235","","","0.0507","0.052","","","","","","1.018","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111226","11.5725","0.0009","18.7234","0.0015","15.1039","0.0012","90","","97.966","0.006","90","","3241.1","0.4","180","","180","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 B N6 Nb -","- C33 H42 B N6 Nb -","- C132 H168 B4 N24 Nb4 -","4","1","","Pascal Oulié; Cédric Boulho; Laure Vendier; Yannick Coppel; Michel Etienne","C-H Bond Activation of Arenes by a Transient η2-Cyclopropene Niobium Complex","Journal of the American Chemical Society","2006","128","","15962","15963","10.1021/ja066985n","","","0.71073","MoKα","","0.1016","0.0511","","","0.1262","0.1491","","","","","","0.965","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111227","13.7281","0.0007","11.1998","0.0007","18.2865","0.0012","90","","95.789","0.005","90","","2797.2","0.3","180","","180","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 B N6 Nb -","- C28 H38 B N6 Nb -","- C112 H152 B4 N24 Nb4 -","4","1","","Pascal Oulié; Cédric Boulho; Laure Vendier; Yannick Coppel; Michel Etienne","C-H Bond Activation of Arenes by a Transient η2-Cyclopropene Niobium Complex","Journal of the American Chemical Society","2006","128","","15962","15963","10.1021/ja066985n","","","0.71073","MoKα","","0.0676","0.0519","","","0.1057","0.1131","","","","","","1.074","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111228","10.5531","0.0017","13.779","0.002","16.341","0.003","90","","106.552","0.003","90","","2277.7","0.6","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 N2 Ta -","- C22 H41 N2 Ta -","- C88 H164 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0249","0.017","","","0.0365","0.0394","","","","","","1","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111229","36.0392","0.0011","8.7448","0.0003","17.391","0.0005","90","","100.278","0.001","90","","5392.9","0.3","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H50 N2 Ta -","- C26 H50 N2 Ta -","- C208 H400 N16 Ta8 -","8","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0158","0.0142","","","0.0357","0.0363","","","","","","1.001","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111230","9.0554","0.0012","9.7804","0.0013","14.465","0.002","90.119","0.002","90.426","0.002","107.075","0.002","1224.6","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H42 N2 Ta -","- C23 H42 N2 Ta -","- C46 H84 N4 Ta2 -","2","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0231","0.0215","","","0.0473","0.0482","","","","","","1.001","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111231","8.4436","0.0004","15.2546","0.0007","17.8663","0.0008","68.504","0.001","77.232","0.001","81.612","0.001","2082.89","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H32 Cl2 N2 Ta -","- C18 H32 Cl2 N2 Ta -","- C72 H128 Cl8 N8 Ta4 -","4","2","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0357","0.0262","","","0.0581","0.0624","","","","","","1","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111232","8.7085","0.001","16.959","0.002","17.835","0.002","114.865","0.003","103.792","0.002","91.298","0.002","2298.2","0.5","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H42 N2 Ta -","- C22 H42 N2 Ta -","- C88 H168 N8 Ta4 -","4","2","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0624","0.0503","","","0.1123","0.1177","","","","","","1","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111233","9.0897","0.001","14.4865","0.0016","17.822","0.002","90","","90","","90","","2346.8","0.5","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H41 Cl N2 Ta -","- C22 H41 Cl N2 Ta -","- C88 H164 Cl4 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0486","0.0364","","","0.0765","0.0812","","","","","","1","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111234","9.1356","0.0014","14.719","0.002","18.008","0.003","90","","90","","90","","2421.5","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tantalum methyl neopentyl","","- C23 H43 Cl N2 Ta -","- C23 H43 Cl N2 Ta -","- C92 H172 Cl4 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0276","0.0257","","","0.0586","0.0594","","","","","","0.999","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111235","8.9996","0.0003","14.7479","0.0005","18.154","0.0006","90","","92.207","0.001","90","","2407.71","0.14","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H44 N2 Ta -","- C23 H44 N2 Ta -","- C92 H176 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0375","0.0217","","","0.0517","0.057","","","","","","1","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111236","9.0851","0.0016","14.834","0.003","18.443","0.003","90","","90","","90","","2485.5","0.8","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N2 Ta -","- C24 H46 N2 Ta -","- C96 H184 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0356","0.0327","","","0.0717","0.0731","","","","","","1","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111237","17.039","0.002","16.2703","0.0018","18.251","0.002","90","","108.28","0.002","90","","4804.4","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H43 B F20 N2 Ta -","- C47 H43 B F20 N2 Ta -","- C188 H172 B4 F80 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0435","0.035","","","0.0799","0.0837","","","","","","1","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111238","34.649","0.003","8.386","0.0007","17.2661","0.0015","90","","118.401","0.002","90","","4413.1","0.7","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ta trimethylmethylene complex","","- C22 H38 N2 Ta -","- C22 H38 N2 Ta -","- C176 H304 N16 Ta8 -","8","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0366","0.0302","","","0.0712","0.0742","","","","","","1","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111239","8.5903","0.0004","9.6055","0.0004","17.5663","0.0007","87.269","0.001","88.737","0.001","68.34","0.001","1345.58","0.1","220","2","220","2","","","","","","","","4","P -1","-P 1","2","Ta di-butyl complex","Ta di-butyl complex","","- C26 H50 N2 Ta -","- C26 H50 N2 Ta -","- C52 H100 N4 Ta2 -","2","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0199","0.019","","","0.0441","0.0445","","","","","","0.999","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111240","11.1008","0.0004","14.5074","0.0005","16.1862","0.0005","76.251","0.002","81.606","0.002","73.17","0.002","2415.18","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H27 Cu1.5 F18 O6 -","- C51 H27 Cu1.5 F18 O6 -","- C102 H54 Cu3 F36 O12 -","2","1","","Lindsay A. Batory; Christine E. McInnis; Jon T. Njardarson","Copper-Catalyzed Rearrangement of Vinyl Oxiranes","Journal of the American Chemical Society","2006","128","","16054","16055","10.1021/ja067073o","","","0.71073","MoKα","","0.0514","0.0443","","","0.1504","0.1551","","","","","","1.275","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111241","6.5003","0.0009","16.178","0.002","18.895","0.003","90","","90","","90","","1987","0.5","181.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 S -","- C17 H29 N O4 S -","- C68 H116 N4 O16 S4 -","4","1","","Hillary M. Peltier; Jeffrey P. McMahon; Andrew W. Patterson; Jonathan A. Ellman","The Total Synthesis of Tubulysin D","Journal of the American Chemical Society","2006","128","","16018","16019","10.1021/ja067177z","","","0.7107","MoKα","","0.0398","0.0337","","0.0419","","0.041","","","","","","1.704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111242","11.472","0.003","9.565","0.003","12.691","0.003","90","","106.824","0.004","90","","1333","0.6","183.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H24 Br2 N2 O5 S -","- C25 H20 Br2 N2 O5 S -","- C50 H40 Br4 N4 O10 S2 -","2","1","","Hillary M. Peltier; Jeffrey P. McMahon; Andrew W. Patterson; Jonathan A. Ellman","The Total Synthesis of Tubulysin D","Journal of the American Chemical Society","2006","128","","16018","16019","10.1021/ja067177z","","","0.7107","MoKα","","0.0574","0.0374","","0.0505","","0.0446","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111243","19.108","0.0013","11.766","0.0009","19.656","0.0014","90","","118.138","0.004","90","","3896.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hf-Si complex","Hf-silylene complex","","- C35 H69 Hf P Si3 -","- C35 H69 Hf P Si3 -","- C140 H276 Hf4 P4 Si12 -","4","1","","Norio Nakata; Toshiyuki Fujita; Akira Sekiguchi","A Stable Schrock-Type Hafnium-Silylene Complex","Journal of the American Chemical Society","2006","128","","16024","16025","10.1021/ja067251d","","","0.7107","MoKα","","0.0438","0.0384","","","0.0984","0.1017","","","","","","1.031","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111244","13.0931","0.0003","13.8192","0.0002","18.4276","0.0004","90","","90","","90","","3334.22","0.12","150","1","150","1","","","","","","","","6","P b 21 a","P -2a -2ab","29","","","","- C36 H38 Cl N5 Ni O6 -","- C36 H38 Cl N5 Ni O6 -","- C144 H152 Cl4 N20 Ni4 O24 -","4","1","","Katarzyna Rudzka; Atta M. Arif; Lisa M. Berreau","Glyoxalase I-type Hemithioacetal Isomerization Reactivity of a Mononuclear Ni(II) Deprotonated Amide Complex","Journal of the American Chemical Society","2006","128","","17018","17023","10.1021/ja0601336","","","0.71073","MoKα","","0.0649","0.0437","","","0.0926","0.1054","","","","","","1.102","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111245","11.0378","0.0008","10.226","0.0007","17.1981","0.0012","90","","98.531","0.001","90","","1919.7","0.2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 1-endo","[benzyl-7-fluoro-5-(mthylsulfnyl)-1,4-dihydrocyclpent[b]indol-3-yl]oac","","- C21 H17 Cl F N O4 S -","- C21 H17 Cl F N O4 S -","- C84 H68 Cl4 F4 N4 O16 S4 -","4","1","","David M. Tellers; J. Christopher McWilliams; Guy Humphrey; Michel Journet; Lisa DiMichele; Joseph Hinksmon; Arlene E. McKeown; Thorsten Rosner; Yongkui Sun; Richard D. Tillyer","On the Mechanism of an Asymmetric α,β-Unsaturated Carboxylic Acid Hydrogenation: Application to the Synthesis of a PGD2 Receptor Antagonist","Journal of the American Chemical Society","2006","128","","17063","17073","10.1021/ja0623358","","","0.71073","MoKα","","0.0671","0.0488","","","0.1058","0.1133","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111246","7.6711","0.0008","11.9741","0.0012","13.8819","0.0013","93.157","0.002","105.488","0.002","93.159","0.002","1223.7","0.2","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H28 B2 F20 S2 -","- C53 H20 B2 F20 S2 -","- C53 H20 B2 F20 S2 -","1","0.5","","Anand Sundararaman; Krishnan Venkatasubbaiah; Maria Victor; Lev N. Zakharov; Arnold L. Rheingold; Frieder Jäkle","Electronic Communication and Negative Binding Cooperativity in Diborylated Bithiophenes","Journal of the American Chemical Society","2006","128","","16554","16565","10.1021/ja064396b","","","0.71073","MoKα","","0.0575","0.0459","","","0.1352","0.1427","","","","","","1.059","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111247","9.073","0.0001","12.8466","0.0002","13.124","0.0002","105.513","0.001","100.786","0.001","105.923","0.001","1360.24","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 B2 F20 N2 S2 -","- C60 H38 B2 F20 N2 S2 -","- C60 H38 B2 F20 N2 S2 -","1","0.5","","Anand Sundararaman; Krishnan Venkatasubbaiah; Maria Victor; Lev N. Zakharov; Arnold L. Rheingold; Frieder Jäkle","Electronic Communication and Negative Binding Cooperativity in Diborylated Bithiophenes","Journal of the American Chemical Society","2006","128","","16554","16565","10.1021/ja064396b","","","1.54178","CuKα","","0.0521","0.0381","","","0.0994","0.1308","","","","","","1.189","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111248","11.418","0.0003","6.88","0.0002","12.682","0.0003","90","","108.869","0.0016","90","","942.71","0.04","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Compound ege8_ca_","","","- C18 H25 N3 O4 -","- C18 H25 N3 O4 -","- C36 H50 N6 O8 -","2","1","","Felipe Reviriego; Maria Isabel Rodríguez-Franco; Pilar Navarro; Enrique García-España; Malva Liu-González; Begoña Verdejo; Antonio Domènech","The Sodium Salt of Diethyl 1H-pyrazole-3,5-dicarboxylate as an Efficient Amphiphilic Receptor for Dopamine and Amphetamines. Crystal Structure and Solution Studies","Journal of the American Chemical Society","2006","128","","16458","16459","10.1021/ja064657h","","x-ray","0.71073","MoKα","","0.0656","0.0404","","","0.1081","0.13","","","","","","1.062","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4111249","10.3139","0.0018","17.875","0.003","19.132","0.003","90.617","0.004","98.394","0.004","90.769","0.004","3488.8","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H50 Si4 Zr -","- C32 H50 Si4 Zr -","- C128 H200 Si16 Zr4 -","4","2","","Christopher A. Bradley; Luis F. Veiros; Doris Pun; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","Carbon-Oxygen Bond Cleavage with η9,η5-Bis(indenyl)zirconium Sandwich Complexes","Journal of the American Chemical Society","2006","128","","16600","16612","10.1021/ja065456g","","","0.71073","MoKα","","0.0727","0.0421","","","0.0945","0.1054","","","","","","1.009","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111250","10.6205","0.0011","15.3659","0.0016","18.2945","0.0018","90","","105.487","0.004","90","","2877.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 O Zr -","- C34 H46 O Zr -","- C136 H184 O4 Zr4 -","4","1","","Christopher A. Bradley; Luis F. Veiros; Doris Pun; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","Carbon-Oxygen Bond Cleavage with η9,η5-Bis(indenyl)zirconium Sandwich Complexes","Journal of the American Chemical Society","2006","128","","16600","16612","10.1021/ja065456g","","","0.71073","MoKα","","0.0392","0.0278","","","0.0779","0.0822","","","","","","1.106","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111251","6.9633","0.0012","10.9345","0.0018","11.3463","0.0019","99.492","0.003","96.613","0.003","90.63","0.003","846","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N2 Pt S2 -","- C20 H16 N2 Pt S2 -","- C40 H32 N4 Pt2 S4 -","2","1","","Samuel W. Thomas; Koushik Venkatesan; Peter Müller; Timothy M. Swager","Dark-Field Oxidative Addition-Based Chemosensing: New Bis-cyclometalated Pt(II) Complexes and Phosphorescent Detection of Cyanogen Halides","Journal of the American Chemical Society","2006","128","","16641","16648","10.1021/ja065645z","","","0.71073","MoKα","","0.0181","0.0165","","","0.0389","0.0398","","","","","","1.052","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111252","16.0087","0.001","9.0397","0.0005","24.8119","0.0015","90","","104.852","0.002","90","","3470.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 N2 Pt S2 -","- C20 H16 N2 Pt S2 -","- C160 H128 N16 Pt8 S16 -","8","4","","Samuel W. Thomas; Koushik Venkatesan; Peter Müller; Timothy M. Swager","Dark-Field Oxidative Addition-Based Chemosensing: New Bis-cyclometalated Pt(II) Complexes and Phosphorescent Detection of Cyanogen Halides","Journal of the American Chemical Society","2006","128","","16641","16648","10.1021/ja065645z","","","0.71073","MoKα","","0.0208","0.0198","","","0.0464","0.0468","","","","","","1.024","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111253","9.8404","0.0008","18.3388","0.0018","18.4798","0.0017","74.296","0.003","80.151","0.003","86.066","0.003","3162.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N2 Pt S -","- C20 H14 N2 Pt S -","- C160 H112 N16 Pt8 S8 -","8","4","","Samuel W. Thomas; Koushik Venkatesan; Peter Müller; Timothy M. Swager","Dark-Field Oxidative Addition-Based Chemosensing: New Bis-cyclometalated Pt(II) Complexes and Phosphorescent Detection of Cyanogen Halides","Journal of the American Chemical Society","2006","128","","16641","16648","10.1021/ja065645z","","","0.71073","MoKα","","0.0704","0.05","","","0.0886","0.0924","","","","","","1.16","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111254","10.1034","0.0007","29.987","0.002","14.974","0.001","90","","104.099","0.002","90","","4400","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H110 F24 Mo2 N2 O14 -","- C79 H110 F24 Mo2 N2 O14 -","- C158 H220 F48 Mo4 N4 O28 -","2","0.5","","Constantin Czekelius; Jillian Hafer; Zachary J. Tonzetich; Richard R. Schrock; Ronald L. Christensen; Peter Müller","Synthesis of Oligoenes that Contain up to 15 Double Bonds from 1,6-Heptadiynes","Journal of the American Chemical Society","2006","128","","16664","16675","10.1021/ja0656705","","","0.71073","MoKα","","0.1112","0.0983","","","0.2184","0.228","","","","","","1.12","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111255","11.0704","0.0004","27.1993","0.001","22.5569","0.0009","90","","90.833","0.001","90","","6791.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55.5 H68 F24 Mo2 N2 O8 -","- C55.5 H68 F24 Mo2 N2 O8 -","- C222 H272 F96 Mo8 N8 O32 -","4","1","","Constantin Czekelius; Jillian Hafer; Zachary J. Tonzetich; Richard R. Schrock; Ronald L. Christensen; Peter Müller","Synthesis of Oligoenes that Contain up to 15 Double Bonds from 1,6-Heptadiynes","Journal of the American Chemical Society","2006","128","","16664","16675","10.1021/ja0656705","","","0.71073","MoKα","","0.0767","0.0485","","","0.1199","0.1332","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111256","19.1158","0.0011","19.1158","0.0011","19.1158","0.0011","90","","90","","90","","6985.2","0.7","161","2","166","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C45 H12 Cl1.5 Mn6.75 N51 O20.09 -","- C45 H12 Cl1.5 Mn6.75 N51 O20.04 -","- C90 H24 Cl3 Mn13.5 N102 O40.08 -","2","0.0416667","","Mircea Dincǎ; Anne Dailly; Yun Liu; Craig M. Brown; Dan A. Neumann; Jeffrey R. Long","Hydrogen Storage in a Microporous Metal-Organic Framework with Exposed Mn2+ Coordination Sites","Journal of the American Chemical Society","2006","128","","16876","16883","10.1021/ja0656853","","","0.71073","MoKα","","0.0846","0.0771","","","0.2508","0.2654","","","","","","1.551","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111257","19.0086","0.0011","19.0086","0.0011","19.0086","0.0011","90","","90","","90","","6868.3","0.7","161","2","161","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl1.5 Mn6.75 N48 O5 -","- C41.04 H12 Cl1.5 Mn6.72 N48 O5.04 -","- C82.08 H24 Cl3 Mn13.44 N96 O10.08 -","2","0.0416667","","Mircea Dincǎ; Anne Dailly; Yun Liu; Craig M. Brown; Dan A. Neumann; Jeffrey R. Long","Hydrogen Storage in a Microporous Metal-Organic Framework with Exposed Mn2+ Coordination Sites","Journal of the American Chemical Society","2006","128","","16876","16883","10.1021/ja0656853","","","0.71073","MoKα","","0.0638","0.0486","","","0.1417","0.1557","","","","","","1.205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111258","11.416","0.003","15.906","0.004","14.489","0.004","90","","108.73","0.003","90","","2491.6","1.1","150.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 Se Si5 -","- C16 H40 Se Si5 -","- C64 H160 Se4 Si20 -","4","1","","Takeaki Iwamoto; Katsuhiro Sato; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Synthesis, Properties, and Reactions of a Series of Stable Dialkyl-Substituted Silicon-Chalcogen Doubly Bonded Compounds","Journal of the American Chemical Society","2006","128","","16914","16920","10.1021/ja065774f","","","0.7107","MoKα","","","0.0323","","","","0.0769","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111259","10.528","0.003","15.578","0.004","16.128","0.005","90","","106.003","0.004","90","","2542.6","1.3","150.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Si5 Te -","- C16 H40 Si5 Te -","- C64 H160 Si20 Te4 -","4","1","","Takeaki Iwamoto; Katsuhiro Sato; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Synthesis, Properties, and Reactions of a Series of Stable Dialkyl-Substituted Silicon-Chalcogen Doubly Bonded Compounds","Journal of the American Chemical Society","2006","128","","16914","16920","10.1021/ja065774f","","","0.7107","MoKα","","","0.0263","","","","0.0736","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111260","10.317","0.002","14.994","0.003","15.823","0.003","90","","90","","90","","2447.7","0.8","150.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H40 S Si5 -","- C16 H40 S Si5 -","- C64 H160 S4 Si20 -","4","1","","Takeaki Iwamoto; Katsuhiro Sato; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Synthesis, Properties, and Reactions of a Series of Stable Dialkyl-Substituted Silicon-Chalcogen Doubly Bonded Compounds","Journal of the American Chemical Society","2006","128","","16914","16920","10.1021/ja065774f","","","0.7107","MoKα","","","0.0289","","","","0.0802","","","","","","0.962","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111261","16.32","0.003","16.719","0.003","20.453","0.004","90","","104.144","0.003","90","","5411.5","1.7","150.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 S4 Si5 -","- C16 H40 S4 Si5 -","- C128 H320 S32 Si40 -","8","2","","Takeaki Iwamoto; Katsuhiro Sato; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Synthesis, Properties, and Reactions of a Series of Stable Dialkyl-Substituted Silicon-Chalcogen Doubly Bonded Compounds","Journal of the American Chemical Society","2006","128","","16914","16920","10.1021/ja065774f","","","0.7107","MoKα","","","0.0363","","","","0.0738","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111262","13.4096","0.0003","13.0716","0.0002","21.835","0.0005","90","","127.643","0.001","90","","3030.61","0.12","200","2","200","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","","9,10,12,13-Tetraphenyl-11-oxacyclopenta[b]triphenylene","","- C44 H28 O -","- C44 H28 O -","- C176 H112 O4 -","4","1","","Jun Lu; Douglas M. Ho; Nancy J. Vogelaar; Christina M. Kraml; Stefan Bernhard; Neal Byrne; Laura R. Kim; Robert A. Pascal","Synthesis, Structure, and Resolution of Exceptionally Twisted Pentacenes","Journal of the American Chemical Society","2006","128","","17043","17050","10.1021/ja065935f","","","0.71073","MoKα","","0.0721","0.0552","","0.1325","","0.1111","","","1.124","","","1.169","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111263","12.6834","0.0002","18.7","0.0003","16.3911","0.0002","90","","126.091","0.001","90","","3141.53","0.09","200","2","200","2","","","","","","","chemical synthesis","5","P 1 21/c 1","-P 2ybc","14","","9,10,11,20,21,22-Hexaphenyltetrabenzo[a,c,l,n]pentacene (9,22),(11,20)- Diepoxide Dichloromethane Dimethylsulfoxide Solvate","","- C78.75 H57 Cl6.5 O2.75 S0.75 -","- C78.78 H57.08 Cl6.52 O2.76 S0.76 -","- C157.56 H114.16 Cl13.04 O5.52 S1.52 -","2","0.5","","Jun Lu; Douglas M. Ho; Nancy J. Vogelaar; Christina M. Kraml; Stefan Bernhard; Neal Byrne; Laura R. Kim; Robert A. Pascal","Synthesis, Structure, and Resolution of Exceptionally Twisted Pentacenes","Journal of the American Chemical Society","2006","128","","17043","17050","10.1021/ja065935f","","","0.71073","MoKα","","0.0964","0.0727","","0.2231","","0.1937","","","1.032","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111264","15.5738","0.0005","17.2429","0.0008","18.2439","0.0008","90","","90.816","0.002","90","","4898.7","0.4","100","2","100","2","","","","","","","chemical synthesis","2","P 1 21/c 1","-P 2ybc","14","","9,10,11,20,21,22-Hexaphenyltetrabenzo[a,c,l,n]pentacene","","- C74 H46 -","- C74 H46 -","- C296 H184 -","4","1","","Jun Lu; Douglas M. Ho; Nancy J. Vogelaar; Christina M. Kraml; Stefan Bernhard; Neal Byrne; Laura R. Kim; Robert A. Pascal","Synthesis, Structure, and Resolution of Exceptionally Twisted Pentacenes","Journal of the American Chemical Society","2006","128","","17043","17050","10.1021/ja065935f","","","0.97791","Synchrotron","","0.0683","0.0635","","0.1937","","0.1847","","","1.056","","","1.075","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111265","14.8577","0.0003","29.2657","0.0006","15.1524","0.0005","90","","105.778","0.001","90","","6340.3","0.3","200","2","200","2","","","","","","","chemical synthesis","3","P 1 21 1","P 2yb","4","","9,11,20,22-Tetraphenyl-10,21-di-p-tolyltetrabenzo[a,c,l,n]pentacene Ethyl Acetate Solvate","","- C84 H70 O5 -","- C76 H50 -","- C304 H200 -","4","2","","Jun Lu; Douglas M. Ho; Nancy J. Vogelaar; Christina M. Kraml; Stefan Bernhard; Neal Byrne; Laura R. Kim; Robert A. Pascal","Synthesis, Structure, and Resolution of Exceptionally Twisted Pentacenes","Journal of the American Chemical Society","2006","128","","17043","17050","10.1021/ja065935f","","","0.71073","MoKα","","0.0767","0.063","","0.1531","","0.146","","","1.038","","","1.092","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111266","10.2014","0.0006","10.9644","0.0006","13.9002","0.0008","90","","92.56","0.001","90","","1553.22","0.15","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C37 H40 B2 O4 -","- C37 H40 B2 O4 -","- C74 H80 B4 O8 -","2","0.5","","Weijun Niu; Mark D. Smith; John J. Lavigne","Self-Assembling Poly(dioxaborole)s as Blue-Emissive Materials","Journal of the American Chemical Society","2006","128","","16466","16467","10.1021/ja065986c","","","0.71073","MoKα","","0.0533","0.0453","","","0.1008","0.105","","","","","","1.079","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111267","17.355","0.001","17.355","0.001","22.74","0.002","90","","90","","90","","6849.2","0.8","213.1","","","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C28 H30 N6 O6 Zn -","- C28 H30 N6 O6 Zn -","- C224 H240 N48 O48 Zn8 -","8","0.5","","Satoru Shimomura; Ryotaro Matsuda; Takashi Tsujino; Takashi Kawamura; Susumu Kitagawa","TCNQ Dianion-Based Coordination Polymer Whose Open Framework Shows Charge-Transfer Type Guest Inclusion","Journal of the American Chemical Society","2006","128","","16416","16417","10.1021/ja0660047","","","0.7107","MoKα","","","0.074","","","","0.081","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111268","12.384","0.002","12.384","0.002","22.765","0.003","90","","90","","90","","3491.3","0.9","273.1","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- C34 H24 N6 Zn -","- C34 H24 N6 Zn -","- C136 H96 N24 Zn4 -","4","0.125","","Satoru Shimomura; Ryotaro Matsuda; Takashi Tsujino; Takashi Kawamura; Susumu Kitagawa","TCNQ Dianion-Based Coordination Polymer Whose Open Framework Shows Charge-Transfer Type Guest Inclusion","Journal of the American Chemical Society","2006","128","","16416","16417","10.1021/ja0660047","","","0.7107","MoKα","","","0.054","","","","0.07","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111269","8.31","0.001","26.062","0.003","10.237","0.001","90","","90","","90","","2217.1","0.4","171.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 O6 -","- C24 H34 O6 -","- C96 H136 O24 -","4","1","","Aubry K. Miller; Chambers C. Hughes; Joshua J. Kennedy-Smith; Stefan N. Gradl; Dirk Trauner","Total Synthesis of (-)-Heptemerone B and (-)-Guanacastepene E","Journal of the American Chemical Society","2006","128","","17057","17062","10.1021/ja0660507","","","0.7107","MoKα","","0.0676","0.0423","","0.0546","","0.0468","","","","","","1.467","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111270","6.768","0.001","10.522","0.002","14.194","0.003","108.49","0.002","96.165","0.003","93.944","0.003","947.4","0.3","108.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","","Aubry K. Miller; Chambers C. Hughes; Joshua J. Kennedy-Smith; Stefan N. Gradl; Dirk Trauner","Total Synthesis of (-)-Heptemerone B and (-)-Guanacastepene E","Journal of the American Chemical Society","2006","128","","17057","17062","10.1021/ja0660507","","","0.7107","MoKα","","0.0804","0.0534","","0.0878","","0.0757","","","","","","1.482","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111271","9.7244","0.0007","10.2254","0.0008","10.4074","0.0008","90.903","0.002","101.474","0.002","116.339","0.002","902.5","0.12","152.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 I2 N2 O3 -","- C14 H20 I2 N2 O3 -","- C28 H40 I4 N4 O6 -","2","1","","Aubry K. Miller; Chambers C. Hughes; Joshua J. Kennedy-Smith; Stefan N. Gradl; Dirk Trauner","Total Synthesis of (-)-Heptemerone B and (-)-Guanacastepene E","Journal of the American Chemical Society","2006","128","","17057","17062","10.1021/ja0660507","","","0.7107","MoKα","","","0.0431","","","","0.0541","","","","","","1.426","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111272","24.886","0.003","5.6703","0.0007","7.9763","0.0011","90","","99.066","0.007","90","","1111.5","0.2","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H22 F4 O6 S2 -","- C20 H22 F4 O6 S2 -","- C40 H44 F8 O12 S4 -","2","0.5","","Luke Hunter; David O'Hagan; Alexandra M. Z. Slawin","Enantioselective Synthesis of an All-syn Four Vicinal Fluorine Motif","Journal of the American Chemical Society","2006","128","","16422","16423","10.1021/ja066188p","","","0.71073","MoKα","","0.035","0.0341","","","0.0886","0.0897","","","","","","1.062","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111273","7.9569","0.0017","7.5578","0.0017","14.123","0.003","90","","93.105","0.008","90","","848.1","0.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 F2 O2 -","- C20 H22 F2 O2 -","- C40 H44 F4 O4 -","2","1","","Luke Hunter; David O'Hagan; Alexandra M. Z. Slawin","Enantioselective Synthesis of an All-syn Four Vicinal Fluorine Motif","Journal of the American Chemical Society","2006","128","","16422","16423","10.1021/ja066188p","","","0.71073","MoKα","","0.0357","0.035","","","0.0934","0.0941","","","","","","1.072","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111274","10.734","0.005","35.12","0.017","11.253","0.006","90","","118.305","0.009","90","","3735","3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 F2 O4 -","- C20 H24 F2 O4 -","- C160 H192 F16 O32 -","8","4","","Luke Hunter; David O'Hagan; Alexandra M. Z. Slawin","Enantioselective Synthesis of an All-syn Four Vicinal Fluorine Motif","Journal of the American Chemical Society","2006","128","","16422","16423","10.1021/ja066188p","","","1.54178","CuKα","","0.2422","0.2235","","","0.5634","0.583","","","","","","2.265","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111275","5.1753","0.0005","30.941","0.002","10.848","0.001","90","","90.375","0.004","90","","1737","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H29 N O4 -","- C15 H29 N O4 -","- C60 H116 N4 O16 -","4","2","","Cheol-Kyu Jung; Michael J. Krische","Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding","Journal of the American Chemical Society","2006","128","","17051","17056","10.1021/ja066198q","","","0.71073","MoKα","","0.1536","0.1065","","","0.1682","0.1845","","","","","","1.803","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111276","25.8069","0.0005","6.0191","0.0002","19.571","0.0005","90","","120.152","0.002","90","","2628.72","0.13","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H33 N3 O9 -","- C23 H33 N3 O9 -","- C92 H132 N12 O36 -","4","1","","Cheol-Kyu Jung; Michael J. Krische","Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding","Journal of the American Chemical Society","2006","128","","17051","17056","10.1021/ja066198q","","","0.71073","MoKα","","0.0579","0.0384","","","0.0872","0.0947","","","","","","1.018","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111277","10.472","0.0004","15.185","0.0006","10.524","0.0004","90","","94.257","0.0019","90","","1668.88","0.11","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H22 N O4 -","- C14 H27 N O4 -","- C56 H108 N4 O16 -","4","2","","Cheol-Kyu Jung; Michael J. Krische","Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding","Journal of the American Chemical Society","2006","128","","17051","17056","10.1021/ja066198q","","","0.71073","MoKα","","0.0886","0.0505","","","0.088","0.0988","","","","","","1.329","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111278","10.542","0.0001","10.542","0.0001","22.5021","0.0004","90","","90","","90","","2500.74","0.06","153","2","153","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H31 N3 O9 -","- C22 H31 N3 O9 -","- C88 H124 N12 O36 -","4","1","","Cheol-Kyu Jung; Michael J. Krische","Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding","Journal of the American Chemical Society","2006","128","","17051","17056","10.1021/ja066198q","","","0.71073","MoKα","","0.0469","0.0339","","","0.0693","0.0746","","","","","","1.036","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111279","14.3459","0.0008","16.873","0.001","16.545","0.001","90","","99.695","0.002","90","","3947.7","0.4","183.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Co2 La N5 O21 -","- C30 H35 Co2 La N5 O21 -","- C120 H140 Co8 La4 N20 O84 -","4","1","","Takuya Shiga; Hisashi Ōkawa; Susumu Kitagawa; Masaaki Ohba","Stepwise Synthesis and Magnetic Control of Trimetallic Magnets [Co2Ln(L)2(H2O)4][Cr(CN)6].nH2O (Ln = La, Gd; H2L = 2,6-Di(acetoacetyl)pyridine) with 3-D Pillared-Layer Structure","Journal of the American Chemical Society","2006","128","","16426","16427","10.1021/ja066434x","","","0.7107","MoKα","","","0.0397","","","","0.1226","","","","","","1.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111280","14.0129","0.0005","17.3636","0.0004","16.313","0.0007","90","","99.274","0.001","90","","3917.3","0.2","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 Co2 Gd N5 O21 -","- C60 H76 Co4 Gd N9 O41 -","- C240 H304 Co16 Gd4 N36 O164 -","4","0.5","","Takuya Shiga; Hisashi Ōkawa; Susumu Kitagawa; Masaaki Ohba","Stepwise Synthesis and Magnetic Control of Trimetallic Magnets [Co2Ln(L)2(H2O)4][Cr(CN)6].nH2O (Ln = La, Gd; H2L = 2,6-Di(acetoacetyl)pyridine) with 3-D Pillared-Layer Structure","Journal of the American Chemical Society","2006","128","","16426","16427","10.1021/ja066434x","","","0.7107","MoKα","","","0.0314","","","","0.1086","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111281","10.617","0.004","10.616","0.004","17.008","0.006","90.014","0.007","89.982","0.007","90.011","0.006","1917","1.2","183.1","","","","","","","","","","","7","P 1","P 1","1","","","","- C32 H22 Co2 Cr La N8 O12 -","- C32 H22 Co2 Cr La N8 O12 -","- C64 H44 Co4 Cr2 La2 N16 O24 -","2","2","","Takuya Shiga; Hisashi Ōkawa; Susumu Kitagawa; Masaaki Ohba","Stepwise Synthesis and Magnetic Control of Trimetallic Magnets [Co2Ln(L)2(H2O)4][Cr(CN)6].nH2O (Ln = La, Gd; H2L = 2,6-Di(acetoacetyl)pyridine) with 3-D Pillared-Layer Structure","Journal of the American Chemical Society","2006","128","","16426","16427","10.1021/ja066434x","","","0.7107","MoKα","","","0.0527","","","","0.1505","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111282","10.634","0.001","10.6385","0.0008","16.878","0.002","89.956","0.007","89.992","0.008","89.904","0.007","1909.4","0.3","183.1","","","","","","","","","","","7","P 1","P 1","1","","","","- C32 H22 Co2 Cr Gd N8 O12 -","- C32 H22 Co4.5 Cr Gd N10.5 O12 -","- C64 H44 Co9 Cr2 Gd2 N21 O24 -","2","2","","Takuya Shiga; Hisashi Ōkawa; Susumu Kitagawa; Masaaki Ohba","Stepwise Synthesis and Magnetic Control of Trimetallic Magnets [Co2Ln(L)2(H2O)4][Cr(CN)6].nH2O (Ln = La, Gd; H2L = 2,6-Di(acetoacetyl)pyridine) with 3-D Pillared-Layer Structure","Journal of the American Chemical Society","2006","128","","16426","16427","10.1021/ja066434x","","","0.7107","MoKα","","","0.0493","","","","0.1758","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111283","9.178","0.018","11.08","0.03","13.54","0.03","91.18","0.14","99.91","0.17","92.5","0.18","1355","5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[Crypt K]+ BQ-","2,2,2-Cryptand potassium benzoquinonide","","- C24 H40 K N2 O8 -","- C24 H40 K N2 O8 -","- C48 H80 K2 N4 O16 -","2","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.0814","0.0464","","","0.0872","0.0952","","","","","","0.863","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111284","10.3668","0.0015","17.507","0.004","15.333","0.002","90","","104.649","0.013","90","","2692.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Crypt K]+ BQ-","2,2,2-Cryptand potassium benzoquinonide","","- C24 H40 K N2 O8 -","- C24 H40 K N2 O8 -","- C96 H160 K4 N8 O32 -","4","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.0975","0.0462","","","0.0793","0.0883","","","","","","0.86","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111285","15.283","0.003","15.283","0.003","9.112","0.003","90","","90","","120","","1843.2","0.8","173","2","173","2","","","","","","","","4","P 31","P 31","144","[DBCrown K]+ BQ-","Dibenzo-18-crown-6 potassium benzoquinonide","","- C26 H28 K O8 -","- C26 H28 K O8 -","- C78 H84 K3 O24 -","3","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.1138","0.0386","","","0.0644","0.0774","","","","","","0.804","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111286","15.96","0.002","12.3063","0.0019","17.062","0.002","90","","90.431","0.004","90","","3351","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Crypt Na]+ pCA-","2,2,2-Cryptand sodium tetrachlorobenzoquinonide, dichloromethane solvate","","- C25 H38 Cl6 N2 Na O8 -","- C25 H38 Cl6 N2 Na O8 -","- C100 H152 Cl24 N8 Na4 O32 -","4","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.0935","0.0435","","","0.0741","0.0837","","","","","","0.81","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111287","11.631","0.008","11.923","0.007","13.901","0.011","93.62","0.07","100.27","0.09","103","0.07","1837","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","K(Crypt) duroquinone*x THF","2,2,2-Cryptand potassium 2,3,5,6-tetramethylbenzoquinonide, tetrahydrofuran solvate","","- C30.8 H53.6 K N2 O8.7 -","- C30.8 H53.6 K N2 O8.7 -","- C61.6 H107.2 K2 N4 O17.4 -","2","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.1355","0.0599","","","0.1559","0.1751","","","","","","0.865","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111288","10.143","0.01","31.03","0.02","15.257","0.013","90","","97.6","0.09","90","","4760","7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[2,2,2]cryptand potassium 2,6-di-tert-butylbenzoquinonide","","- C41 H72 K N2 O11 -","- C41 H72 K N2 O11 -","- C164 H288 K4 N8 O44 -","4","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.1722","0.0841","","","0.2013","0.2327","","","","","","0.844","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111289","16.238","0.003","17.76","0.004","17.19","0.003","90","","109.204","0.014","90","","4681.5","1.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DBCrown K 2,6-DBBQ","Dibenzo-18-crown-6 tetrahydrofuran potassium 2,6-di-tert-butylbenzoquinonide, tetrahydrofuran solvate","","- C46 H68 K O11 -","- C46 H68 K O11 -","- C184 H272 K4 O44 -","4","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.1243","0.0647","","","0.1751","0.1953","","","","","","0.916","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111290","9.454","0.004","10.051","0.004","20.335","0.007","80.13","0.04","84.59","0.03","67.58","0.03","1758.9","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2,2,2-Cryptand potassium 2,5-di-t-butyl-benzoquinonide,","","- C32 H56 K N2 O8 -","- C32 H56 K N2 O8 -","- C64 H112 K2 N4 O16 -","2","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.0542","0.0395","","","0.0932","0.0975","","","","","","0.944","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111291","7.992","0.007","10","0.01","11.384","0.011","67.94","0.02","83.77","0.03","68.12","0.02","781.9","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2,5-DBBQ K (THF)4","Potassium 2,5-di-tert-butyl-benzoquinonide, tetrahydrofuran solvate","","- C30 H52 K O6 -","- C30 H52 K O6 -","- C30 H52 K O6 -","1","0.5","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.1954","0.0552","","","0.0864","0.1081","","","","","","0.669","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111292","9.672","0.013","12.917","0.016","13.233","0.016","101.21","0.03","97.26","0.04","108.24","0.05","1509","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Cl3 N4 O3 -","- C28 H36 Cl3 N4 O3 -","- C56 H72 Cl6 N8 O6 -","2","1","","Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi","Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs","Journal of the American Chemical Society","2006","128","","16708","16719","10.1021/ja066471o","","","0.71073","MoKα","","0.2125","0.0678","","","0.1509","0.1811","","","","","","0.814","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111293","14.8543","0.0004","38.0136","0.0015","7.455","0.0002","90","","105.103","0.002","90","","4064.2","0.2","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","Manganese(III) 5,10,15-tris(pentafluorophenyl)corrole Ethyl Acetate, Ethyl Acetate solvate","","- C45 H24 F15 Mn N4 O4 -","- C45 H24 F15 Mn N4 O4 -","- C180 H96 F60 Mn4 N16 O16 -","4","1","","Michael J. Zdilla; Mahdi M. Abu-Omar","Mechanism of Catalytic Aziridination with Manganese Corrole: The Often Postulated High-Valent Mn(V) Imido Is Not the Group Transfer Reagent","Journal of the American Chemical Society","2006","128","","16971","16979","10.1021/ja0665489","","","0.71073","MO-Kα","","0.069","0.06","","","0.105","0.108","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111294","11.2455","0.0003","27.8795","0.0007","13.7974","0.0004","90","","94.1214","0.0009","90","","4314.6","0.2","150","","150","","","","","","","","Synthesis, Abu-Omar Group, Purdue University","7","P 1 21/n 1","-P 2yn","14","","Manganese(III) 5,10,15-tris(pentafluorophenyl)corrole tosyl imide","","- C44 H15 Cr F15 N5 O2 S -","- C44 H15 Cr F15 N5 O2 S -","- C176 H60 Cr4 F60 N20 O8 S4 -","4","1","","Michael J. Zdilla; Mahdi M. Abu-Omar","Mechanism of Catalytic Aziridination with Manganese Corrole: The Often Postulated High-Valent Mn(V) Imido Is Not the Group Transfer Reagent","Journal of the American Chemical Society","2006","128","","16971","16979","10.1021/ja0665489","","","0.71073","MO-Kα","","0.093","0.079","","","0.189","0.197","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111295","49.6188","0.0008","49.6188","0.0008","49.6188","0.0008","90","","90","","90","","122163","3","240","2","240","2","","","","","","","","5","F m -3","-F 2 2 3","202","mesoMOF-1","mesoMOF-1","","- C32 H20 Cu2 N8 O10 -","- C32 H20 Cu2 N8 O10 -","- C768 H480 Cu48 N192 O240 -","24","0.25","","Xi-Sen Wang; Shengqian Ma; Daofeng Sun; Sean Parkin; Hong-Cai Zhou","A Mesoporous Metal-Organic Framework with Permanent Porosity","Journal of the American Chemical Society","2006","128","","16474","16475","10.1021/ja066616r","","","1.54178","CuKα","","0.0975","0.0912","","","0.2558","0.263","","","","","","1.036","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111296","14.0332","0.0003","15.6497","0.0003","16.0239","0.0004","87.837","0.005","74.861","0.005","75.625","0.005","3289.23","0.17","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Cl6 N16 O10 -","- C60 H60 Cl6 N16 O10 -","- C120 H120 Cl12 N32 O20 -","2","1","","Nicolas Giuseppone; Jean-Louis Schmitt; Jean-Marie Lehn","Driven Evolution of a Constitutional Dynamic Library of Molecular Helices Toward the Selective Generation of [2 x 2] Gridlike Arrays under the Pressure of Metal Ion Coordination","Journal of the American Chemical Society","2006","128","","16748","16763","10.1021/ja0666452","","","0.71073","Mo-Kα","","0.165","0.093","","0.228","","0.124","","","1.285","","","1.068","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111297","8.3996","0.0002","13.3132","0.0003","14.1796","0.0004","90","","90","","90","","1585.64","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N5 O -","- C18 H17 N5 O -","- C72 H68 N20 O4 -","4","1","","Nicolas Giuseppone; Jean-Louis Schmitt; Jean-Marie Lehn","Driven Evolution of a Constitutional Dynamic Library of Molecular Helices Toward the Selective Generation of [2 x 2] Gridlike Arrays under the Pressure of Metal Ion Coordination","Journal of the American Chemical Society","2006","128","","16748","16763","10.1021/ja0666452","","","0.71073","Mo-Kα","","0.075","0.042","","0.1","","0.055","","","1.937","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111298","9.058","0.0001","11.47","0.0002","29.733","0.0004","90","","90","","90","","3089.12","0.08","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F6 N8 O6 S2 -","- C26 H24 F6 N8 O6 S2 -","- C104 H96 F24 N32 O24 S8 -","4","1","","Nicolas Giuseppone; Jean-Louis Schmitt; Jean-Marie Lehn","Driven Evolution of a Constitutional Dynamic Library of Molecular Helices Toward the Selective Generation of [2 x 2] Gridlike Arrays under the Pressure of Metal Ion Coordination","Journal of the American Chemical Society","2006","128","","16748","16763","10.1021/ja0666452","","","0.71073","MoKα","","0.0807","0.0499","","","0.1008","0.1128","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111299","13.84","0.001","15.084","0.001","16.308","0.001","82.84","0.05","70.59","0.05","75.03","0.05","3099.2","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H49 Cl9 N14 O3 -","- C60 H49 Cl9 N14 O3 -","- C120 H98 Cl18 N28 O6 -","2","1","","Nicolas Giuseppone; Jean-Louis Schmitt; Jean-Marie Lehn","Driven Evolution of a Constitutional Dynamic Library of Molecular Helices Toward the Selective Generation of [2 x 2] Gridlike Arrays under the Pressure of Metal Ion Coordination","Journal of the American Chemical Society","2006","128","","16748","16763","10.1021/ja0666452","","","0.7107","MoKα","","0.1749","0.0866","","","0.2108","0.2568","","","","","","1.031","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111300","21.708","0.004","25.104","0.005","7.7259","0.0015","90","","98.32","0.03","90","","4166","1.4","173","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H51 Mn3 N6 O10 -","- C40 H51 Mn3 N6 O10 -","- C160 H204 Mn12 N24 O40 -","4","1","","Yue-Ling Bai; Jun Tao; Wolfgang Wernsdorfer; Osamu Sato; Rong-Bin Huang; Lan-Sun Zheng","Coexistence of Magnetization Relaxation and Dielectric Relaxation in a Single-Chain Magnet","Journal of the American Chemical Society","2006","128","","16428","16429","10.1021/ja066679+","","","0.71073","MoKα","","0.0601","0.0386","","","0.0768","0.0838","","","","","","0.904","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111301","17.574","0.003","17.997","0.004","14.526","0.003","90","","108.57","0.03","90","","4355.1","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Cl Mn3 N6 O9 -","- C40 H54 Cl Mn3 N6 O9 -","- C160 H216 Cl4 Mn12 N24 O36 -","4","1","","Yue-Ling Bai; Jun Tao; Wolfgang Wernsdorfer; Osamu Sato; Rong-Bin Huang; Lan-Sun Zheng","Coexistence of Magnetization Relaxation and Dielectric Relaxation in a Single-Chain Magnet","Journal of the American Chemical Society","2006","128","","16428","16429","10.1021/ja066679+","","","0.71073","MoKα","","0.113","0.0896","","","0.2087","0.2246","","","","","","1.191","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111302","5.5911","0.0011","7.3687","0.0015","41.52","0.008","90","","90","","90","","1710.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Br N3 O2 -","- C18 H20 Br N3 O2 -","- C72 H80 Br4 N12 O8 -","4","1","","Masanori Kawasaki; Hisashi Yamamoto","Catalytic Enantioselective Hetero-Diels-Alder Reactions of an Azo Compound","Journal of the American Chemical Society","2006","128","","16482","16483","10.1021/ja066726y","","","0.71073","MoKα","","0.0372","0.0323","","","0.0711","0.0722","","","","","","1.059","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111303","25.3119","0.0002","15.0979","0.0001","39.4098","0.0003","90","","95.1949","0.0004","90","","14998.8","0.19","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C128 H56 Dy3 N5 Ni -","- C128 H53 Dy2.99 N5 Ni -","- C1024 H424 Dy23.92 N40 Ni8 -","8","1","","Shangfeng Yang; Sergey I. Troyanov; Alexey A. Popov; Matthias Krause; Lothar Dunsch","Deviation from the Planaritya Large Dy3N Cluster Encapsulated in an Ih-C80 Cage: An X-ray Crystallographic and Vibrational Spectroscopic Study","Journal of the American Chemical Society","2006","128","","16733","16739","10.1021/ja066814i","","","0.91","synchrotron","","0.0951","0.0864","","","0.2259","0.2383","","","","","","1.048","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111304","13.0285","0.0017","13.5119","0.0018","17.081","0.002","91.075","0.002","104.632","0.002","100.299","0.002","2856.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H51 Cl2 N9 O8 P2 Pt2 -","- C59 H51 Cl2 N9 O8 P2 Pt2 -","- C118 H102 Cl4 N18 O16 P4 Pt4 -","2","1","","Chi-Kin Koo; Benny Lam; Sze-Kar Leung; Michael Hon-Wah Lam; Wai-Yeung Wong","A ""Molecular Pivot-Hinge"" Based on the pH-Regulated Intramolecular Switching of Pt-Pt and π-π Interactions","Journal of the American Chemical Society","2006","128","","16434","16435","10.1021/ja066914o","","","0.71073","MoKα","","0.0534","0.0313","","","0.0652","0.0727","","","","","","0.987","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111305","12.3775","0.0009","16.5897","0.0012","26.2897","0.0019","90","","102.057","0.001","90","","5279.2","0.7","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C59 H52 N6 O2 P2 Pt2 -","- C59 H52 N6 O2 P2 Pt2 -","- C236 H208 N24 O8 P8 Pt8 -","4","1","","Chi-Kin Koo; Benny Lam; Sze-Kar Leung; Michael Hon-Wah Lam; Wai-Yeung Wong","A ""Molecular Pivot-Hinge"" Based on the pH-Regulated Intramolecular Switching of Pt-Pt and π-π Interactions","Journal of the American Chemical Society","2006","128","","16434","16435","10.1021/ja066914o","","","0.71073","MoKα","","0.0326","0.0319","","","0.0794","0.0797","","","","","","1.097","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111306","16.4996","0.0004","17.5151","0.0004","39.0416","0.0009","90","","90","","90","","11282.7","0.5","93.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C114 H121 F8 Gd3 N6 O20 P4 -","- C114 H117 F8 Gd3 N6 O20 P4 -","- C456 H468 F32 Gd12 N24 O80 P16 -","4","1","","Ikuo Fujimori; Tsuyoshi Mita; Keisuke Maki; Motoo Shiro; Akihiro Sato; Sanae Furusho; Motomu Kanai; Masakatsu Shibasaki","Key Role of the Lewis Base Position in Asymmetric Bifunctional Catalysis: Design and Evaluation of a New Ligand for Chiral Polymetallic Catalysts","Journal of the American Chemical Society","2006","128","","16438","16439","10.1021/ja067003h","","","0.71075","MoKα","","","0.0326","","","","0.0594","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111307","17.764","0.002","19.503","0.003","23.44","0.004","82.04","0.01","71.83","0.01","67.93","0.01","7148.4","1.9","93.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C150.5 H208 S10 -","- C150.5 H184 S10 -","- C301 H368 S20 -","2","1","","Kazumi Nakao; Masayuki Nishimura; Tomoya Tamachi; Yoshiyuki Kuwatani; Hitoshi Miyasaka; Tohru Nishinaga; Masahiko Iyoda","Giant Macrocycles Composed of Thiophene, Acetylene, and Ethylene Building Blocks","Journal of the American Chemical Society","2006","128","","16740","16747","10.1021/ja067077t","","","0.7107","MoKα","","","0.1349","","","","0.2967","","","","","","1.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111308","13.03","0.002","28.034","0.005","12.037","0.003","92.382","0.018","91.375","0.017","87.532","0.014","4388","1.5","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C98 H118 S6 -","- C98 H118 S6 -","- C196 H236 S12 -","2","1","","Kazumi Nakao; Masayuki Nishimura; Tomoya Tamachi; Yoshiyuki Kuwatani; Hitoshi Miyasaka; Tohru Nishinaga; Masahiko Iyoda","Giant Macrocycles Composed of Thiophene, Acetylene, and Ethylene Building Blocks","Journal of the American Chemical Society","2006","128","","16740","16747","10.1021/ja067077t","","","0.71069","MoKα","","0.1894","0.0505","","","0.138","0.1888","","","","","","0.917","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111309","10.357","0.001","11.475","0.0016","14.484","0.002","74.02","0.007","88.427","0.005","71.392","0.005","1564.9","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 O7 Si -","- C32 H46 O7 Si -","- C64 H92 O14 Si2 -","2","1","","Hiroyuki Kusama; Yuji Onizawa; Nobuharu Iwasawa","W(CO)5(L)-Catalyzed Tandem Intramolecular Cyclopropanation/Cope Rearrangement for the Stereoselective Construction of Bicyclo[5.3.0]decane Framework","Journal of the American Chemical Society","2006","128","","16500","16501","10.1021/ja0671924","","x-ray","0.71073","MoKα","","0.0402","0.0361","","","0.0961","0.1007","","","","","","1.038","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111310","8.972","0.002","16.972","0.005","19.938","0.007","90","","93.758","0.013","90","","3029.5","1.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 O5 Si -","- C33 H46 O5 Si -","- C132 H184 O20 Si4 -","4","1","","Hiroyuki Kusama; Yuji Onizawa; Nobuharu Iwasawa","W(CO)5(L)-Catalyzed Tandem Intramolecular Cyclopropanation/Cope Rearrangement for the Stereoselective Construction of Bicyclo[5.3.0]decane Framework","Journal of the American Chemical Society","2006","128","","16500","16501","10.1021/ja0671924","","","0.71075","MoKα","","0.0684","0.0556","","","0.131","0.1364","","","","","","1.039","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111311","11.173","0.016","12.582","0.018","21.63","0.03","79.19","0.05","81.02","0.06","77.41","0.06","2894","7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H42 O5 Si -","- C30 H42 O5 Si -","- C120 H168 O20 Si4 -","4","2","","Hiroyuki Kusama; Yuji Onizawa; Nobuharu Iwasawa","W(CO)5(L)-Catalyzed Tandem Intramolecular Cyclopropanation/Cope Rearrangement for the Stereoselective Construction of Bicyclo[5.3.0]decane Framework","Journal of the American Chemical Society","2006","128","","16500","16501","10.1021/ja0671924","","","0.71075","MoKα","","0.0628","0.0531","","","0.1562","0.1645","","","","","","1.07","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111312","9.338","0.0019","11.847","0.002","17.238","0.003","79.13","0.03","76","0.03","73.19","0.03","1756.8","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H64 O P2 Pd -","- C34 H64 O P2 Pd -","- C68 H128 O2 P4 Pd2 -","2","1","","Elena Poverenov; Gregory Leitus; David Milstein","Synthesis and Reactivity of the Methylene Arenium Form of a Benzyl Cation, Stabilized by Complexation","Journal of the American Chemical Society","2006","128","","16450","16451","10.1021/ja067298z","","","0.71073","MoKα","","0.0389","0.034","","","0.0772","0.0787","","","","","","1.138","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111313","10.963","0.002","13.76","0.003","13.558","0.003","90","","103.21","0.03","90","","1991.1","0.8","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H67 F3 O4 P2 Pd S -","- C36 H67 F3 O4 P2 Pd S -","- C72 H134 F6 O8 P4 Pd2 S2 -","2","1","","Elena Poverenov; Gregory Leitus; David Milstein","Synthesis and Reactivity of the Methylene Arenium Form of a Benzyl Cation, Stabilized by Complexation","Journal of the American Chemical Society","2006","128","","16450","16451","10.1021/ja067298z","","","0.71073","MoKα","","0.0385","0.0339","","","0.0798","0.0823","","","","","","1.079","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111314","15.6756","0.0005","6.9546","0.0003","21.4312","0.0009","90","","90.784","0.002","90","","2336.16","0.16","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H26 N2 O4 -","- C27 H26 N2 O4 -","- C108 H104 N8 O16 -","4","2","","Venukrishnan Komanduri; Michael J. Krische","Enantioselective Reductive Coupling of 1,3-Enynes to Heterocyclic Aromatic Aldehydes and Ketones via Rhodium-Catalyzed Asymmetric Hydrogenation: Mechanistic Insight into the Role of Brønsted Acid Additives","Journal of the American Chemical Society","2006","128","","16448","16449","10.1021/ja0673027","","","0.71073","MoKα","","0.0602","0.0455","","","0.1086","0.1162","","","","","","1.029","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111315","7.2621","0.0004","12.6215","0.0009","10.0493","0.0005","90","","112.728","0.0015","90","","849.58","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F6 N2 O2 -","- C20 H16 F6 N2 O2 -","- C40 H32 F12 N4 O4 -","2","0.5","","Hideki Okamoto; Kyosuke Satake; Hiroyuki Ishida; Masaru Kimura","Photoreaction of a 2,11-Diaza[3.3]paracyclophane Derivative: Formation of Octahedrane by Photochemical Dimerization of Benzene","Journal of the American Chemical Society","2006","128","","16508","16509","10.1021/ja067350r","","","0.71075","MoKα","","0.0615","0.0474","","","0.1199","0.1293","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111316","16.674","0.005","16.969","0.006","17.087","0.006","63.155","0.008","87.8","0.011","77.837","0.014","4208","2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C180 H148 I2 K6 N12 O24 U4 -","- C180 H148 I2 K6 N12 O24 U4 -","- C180 H148 I2 K6 N12 O24 U4 -","1","0.5","","Fabien Burdet; Jacques Pécaut; Marinella Mazzanti","Isolation of a Tetrameric Cation-Cation Complex of Pentavalent Uranyl","Journal of the American Chemical Society","2006","128","","16512","16513","10.1021/ja067445t","","","0.71073","MoKα","","0.1138","0.0779","","","0.194","0.2267","","","","","","0.991","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111317","7.9224","0.0002","16.4652","0.0005","9.3242","0.0002","90","","96.618","0.002","90","","1208.18","0.05","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H27 Cl N2 O2 -","- C29 H27 Cl N2 O2 -","- C58 H54 Cl2 N4 O4 -","2","0.5","","Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski","Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry","Journal of the American Chemical Society","2006","128","","16514","16515","10.1021/ja067475w","","","0.71073","MoKα","","0.0659","0.0463","","","0.1042","0.1124","","","","","","1.04","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111318","11.983","0.001","13.063","0.002","14.646","0.002","90","","90","","90","","2292.6","0.5","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C116 H104 N8 O8 -","4","1","","Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski","Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry","Journal of the American Chemical Society","2006","128","","16514","16515","10.1021/ja067475w","","","0.71073","MoKα","","0.1258","0.0632","","","0.1264","0.1541","","","","","","1.041","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111319","23.6307","0.0002","9.7837","0.0004","17.1251","0.0005","90","","90","","90","","3959.2","0.2","153","2","153","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C38 H39 Cl4 N2 O2 Rh -","- C38 H39 Cl4 N2 O2 Rh -","- C152 H156 Cl16 N8 O8 Rh4 -","4","0.5","","Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski","Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry","Journal of the American Chemical Society","2006","128","","16514","16515","10.1021/ja067475w","","","0.71073","MoKα","","0.0648","0.0468","","","0.1149","0.1239","","","","","","1.055","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111320","19.196","0.0007","19.196","0.0007","15.0434","0.0005","90","","90","","90","","5543.3","0.3","233","2","233","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C31 H30 Ag Cl N2 O2.5 -","- C29 H26 Ag Cl N2 O2 -","- C232 H208 Ag8 Cl8 N16 O16 -","8","0.5","","Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski","Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry","Journal of the American Chemical Society","2006","128","","16514","16515","10.1021/ja067475w","","","0.71073","MoKα","","0.0504","0.0365","","","0.0699","0.0741","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111321","16.4202","0.0004","16.6353","0.0003","19.0681","0.0004","90","","90.5665","0.0009","90","","5208.29","0.19","273.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H50 O3 P2 Ru -","- C55 H50 O3 P2 Ru -","- C220 H200 O12 P8 Ru4 -","4","1","","Satoshi Ueno; Eiichiro Mizushima; Naoto Chatani; Fumitoshi Kakiuchi","Direct Observation of the Oxidative Addition of the Aryl Carbon-Oxygen Bond to a Ruthenium Complex and Consideration of the Relative Reactivity between Aryl Carbon-Oxygen and Aryl Carbon-Hydrogen Bonds","Journal of the American Chemical Society","2006","128","","16516","16517","10.1021/ja067612p","","","0.7107","MoKα","","","0.0692","","","","0.1115","","","","","","1.724","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111322","19.3678","0.0005","25.611","0.0007","16.8824","0.0004","90","","110.106","0.003","90","","7863.8","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 N6 O6 P -","- C40 H53 N6 O6 P -","- C320 H424 N48 O48 P8 -","8","2","","Jonathan L. Sessler; Dong-Gyu Cho; Vincent Lynch","Diindolylquinoxalines: Effective Indole-Based Receptors for Phosphate Anion","Journal of the American Chemical Society","2006","128","","16518","16519","10.1021/ja067720b","","","0.71073","MoKα","","0.2211","0.0843","","","0.1522","0.1987","","","","","","1.057","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111323","10.425","0.002","16.352","0.004","19.299","0.004","74.687","0.004","82.887","0.005","78.48","0.005","3100.4","1.2","173","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H12 Mn4 N36 O15 -","- C84 H12 Mn4 N36 O15 -","- C84 H12 Mn4 N36 O15 -","1","0.5","","Mircea Dincǎ; Anta F. Yu; Jeffrey R. Long","Microporous Metal-Organic Frameworks Incorporating 1,4-Benzeneditetrazolate: Syntheses, Structures, and Hydrogen Storage Properties [J. Am. Chem. Soc.2006,128, 8904-8913].","Journal of the American Chemical Society","2006","128","","17153","17153","10.1021/ja068019a","","","0.775","synchrotron","","0.2074","0.1312","","","0.324","0.366","","","","","","0.964","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111324","22.249","0.002","7.0528","0.0008","13.5747","0.0015","90","","90","","90","","2130.1","0.4","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C23 H8 Cu2 N18 O8 -","- C23 H8 Cu2 N18 O8 -","- C46 H16 Cu4 N36 O16 -","2","0.125","","Mircea Dincǎ; Anta F. Yu; Jeffrey R. Long","Microporous Metal-Organic Frameworks Incorporating 1,4-Benzeneditetrazolate: Syntheses, Structures, and Hydrogen Storage Properties [J. Am. Chem. Soc.2006,128, 8904-8913].","Journal of the American Chemical Society","2006","128","","17153","17153","10.1021/ja068019a","","","0.775","Synchrotron","","0.0745","0.0686","","","0.1966","0.2015","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122116","17.119","0.003","11.551","0.002","14.902","0.003","90","","118.09","0.03","90","","2599.6","1.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.5 H21 Cl N6 Zn -","- C28.5 H21 Cl N6 Zn -","- C114 H84 Cl4 N24 Zn4 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0615","0.0506","","0.1679","0.139","","","","0.899","0.918","0.918","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122117","8.966","0.0013","8.966","0.0013","39.873","0.008","90","","90","","90","","3205.4","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Cu N10 S4 -","- C32 H16 Cu N10 S4 -","- C128 H64 Cu4 N40 S16 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0857","0.0473","","","0.0984","0.1153","","","","","","1.04","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122118","8.937","0.0013","8.937","0.0013","40.324","0.008","90","","90","","90","","3220.7","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 N10 S4 Zn -","- C32 H16 N10 S4 Zn -","- C128 H64 N40 S16 Zn4 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0646","0.0402","","","0.0897","0.1048","","","","","","1.017","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122119","8.917","0.0013","8.917","0.0013","40.516","0.008","90","","90","","90","","3221.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Fe N10 S4 -","- C32 H16 Fe N10 S4 -","- C128 H64 Fe4 N40 S16 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.1688","0.0787","","","0.1776","0.2214","","","","","","1.056","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122120","8.898","0.0013","8.898","0.0013","40.385","0.008","90","","90","","90","","3197.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Co N10 S4 -","- C32 H16 Co N10 S4 -","- C128 H64 Co4 N40 S16 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0384","0.0312","","","0.0819","0.0875","","","","","","1.076","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122121","8.8643","0.0013","8.8643","0.0013","40.515","0.008","90","","90","","90","","3183.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 N10 Ni S4 -","- C32 H16 N10 Ni S4 -","- C128 H64 N40 Ni4 S16 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.1746","0.1171","","","0.3274","0.3478","","","","","","2.193","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122122","8.777","0.002","15.636","0.003","34.891","0.007","90","","90","","90","","4788.3","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Co N6 -","- C28 H20 Co N6 -","- C224 H160 Co8 N48 -","8","2","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0407","0.0314","","0.0725","0.0688","","","","0.966","1.002","1.002","","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122123","7.4345","0.0015","18.461","0.004","12.052","0.002","90","","107.77","0.03","90","","1575.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 N5 S2 -","- C16 H9 N5 S2 -","- C64 H36 N20 S8 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0912","0.0473","","","0.1156","0.1442","","","","","","0.93","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122125","10.425","0.002","16.352","0.004","19.299","0.004","74.687","0.004","82.887","0.005","78.48","0.005","3100.4","1.2","173","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H12 Mn4 N36 O15 -","- C84 H12 Mn4 N36 O15 -","- C84 H12 Mn4 N36 O15 -","1","0.5","","Dinca, Mircea; Yu, Anta F.; Long, Jeffrey R.","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.775","synchrotron","","0.2074","0.1312","","","0.324","0.366","","","","","","0.964","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122126","22.249","0.002","7.0528","0.0008","13.5747","0.0015","90","","90","","90","","2130.1","0.4","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C23 H8 Cu2 N18 O8 -","- C23 H8 Cu2 N18 O8 -","- C46 H16 Cu4 N36 O16 -","2","0.125","","Dinca, Mircea; Yu, Anta F.; Long, Jeffrey R.","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.775","Synchrotron","","0.0745","0.0686","","","0.1966","0.2015","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123993","9.8906","","5.8222","","10.0467","","90","","108.303","","90","","549.271","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Bi Sc O3","","- Bi O3 Sc -","- Bi O3 Sc -","- Bi8 O24 Sc8 -","8","2","","Belik, A.A.; Shamoto, S.; Kodama, K.; Igawa, N.; Iikubo, S.; Takayama-Muromachi, E.; Maie, M.; Matsui, Y.; Stefanovich, S.Yu.; Nagai, T.; Lazoryak, B.I.","Bi Sc O3: Centrosymmetric Bi Mn O3-type oxide","Journal of the American Chemical Society","2006","128","","706","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123995","5.4698","","6.3435","","20.5471","","90","","91.709","","90","","712.62","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Co5 (O H)6 (S O4)2 (H2 O)4","","- Co5 H14 O18 S2 -","- Co5 H14 O18 S2 -","- Co10 H28 O36 S4 -","2","0.5","","Ben Salah, M.; Vilminot, S.; Kurmoo, M.; Andre, G.; Takagi, S.; Mhiri, T.; Richard-Plouet, M.","Nuclear and magnetic structures and magnetic properties of the layered cobalt hydroxysulfate Co5 (O H)6 (S O4)2 (H2 O)4 and its deuterated analogue, Co5 (O D)6 (S O4)2 (D2 O)4","Journal of the American Chemical Society","2006","128","","7972","7981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123996","5.4698","","6.3435","","20.5471","","90","","91.709","","90","","712.62","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Co5 (O D0.92 H0.08)6 (S O4)2 ((D.92 H0.08)2 O)4","","- Co5 D12.88 H1.12 O18 S2 -","- Co5 D12.81 H1.19 O18 S2 -","- Co10 D25.62 H2.38 O36 S4 -","2","0.5","","Ben Salah, M.; Kurmoo, M.; Vilminot, S.; Richard-Plouet, M.; Andre, G.; Takagi, S.; Mhiri, T.","Nuclear and magnetic structures and magnetic properties of the layered cobalt hydroxysulfate Co5 (O H)6 (S O4)2 (H2 O)4 and its deuterated analogue, Co5 (O D)6 (S O4)2 (D2 O)4","Journal of the American Chemical Society","2006","128","","7972","7981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123997","4.3932","","4.3932","","4.699","","90","","90","","120","","78.541","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sr Ga2 D2","","- D2 Ga2 Sr -","- D2 Ga2 Sr -","- D2 Ga2 Sr -","1","0.0833333","","Bjoerling, T.; Haeussermann, U.","Polyanionic hydrides from polar intermetallics Ae E2 (Ae = Ca, Sr, Ba; E = Al, Ga, In)","Journal of the American Chemical Society","2006","128","","817","824","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123998","4.5286","","4.5286","","4.8991","","90","","90","","120","","87.011","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ba Ga2 D2","","- Ba D2 Ga2 -","- Ba D2 Ga2 -","- Ba D2 Ga2 -","1","0.0833333","","Bjoerling, T.; Haeussermann, U.","Polyanionic hydrides from polar intermetallics Ae E2 (Ae = Ca, Sr, Ba; E = Al, Ga, In)","Journal of the American Chemical Society","2006","128","","817","824","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124105","6.0523","","6.0523","","8.02196","","90","","90","","90","","293.847","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","K Cr F3","","- Cr F3 K -","- Cr F3 K -","- Cr4 F12 K4 -","4","0.125","","Margadonna, S.; Karotsis, G.","Cooperative Jahn-Teller distortion, phase transitions, and weak ferromagnetism in the K Cr F3 perovskite","Journal of the American Chemical Society","2006","128","","16435","16437","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124106","5.82642","","5.83517","","8.57547","","90","","90","","93.686","","290.947","","","","","","","","","","","","","3","I 1 1 2/m","-I 2","12","","K Cr F3","","- Cr F3 K -","- Cr F3 K -","- Cr4 F12 K4 -","4","0.5","","Margadonna, S.; Karotsis, G.","Cooperative Jahn-Teller distortion, phase transitions, and weak ferromagnetism in the K Cr F3 perovskite","Journal of the American Chemical Society","2006","128","","16435","16437","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4129242","23.064","0.002","10.408","0.001","24.166","0.002","90","","104.88","0.002","90","","5606.5","0.9","293","2","293","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl F3 N2 O3 P2 Pd Ru S -","- C58 H60 Cl F3 N2 O3 P2 Pd Ru S -","- C232 H240 Cl4 F12 N8 O12 P8 Pd4 Ru4 S4 -","4","1","","Zhu, Lei; Shabbir, Shagufta H.; Gray, Mark; Lynch, Vincent M.; Sorey, Steven; Anslyn, Eric V.","A structural investigation of the N-B interaction in an o-(N,N-dialkylaminomethyl)arylboronate system.","Journal of the American Chemical Society","2006","128","4","1222","1232","10.1021/ja055817c","","","0.71073","MoKα","","0.0935","0.0439","","","0.0949","0.1187","","","","","","1.014","","","","has coordinates","240012","2020-10-21","18:00:00",""
"4129243","16.2016","0.0017","8.6614","0.0009","17.9532","0.0019","90","","98.067","0.002","90","","2494.4","0.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl F3 N2 O3 Ru S -","- C22 H30 Cl F3 N2 O3 Ru S -","- C88 H120 Cl4 F12 N8 O12 Ru4 S4 -","4","1","","Zhu, Lei; Shabbir, Shagufta H.; Gray, Mark; Lynch, Vincent M.; Sorey, Steven; Anslyn, Eric V.","A structural investigation of the N-B interaction in an o-(N,N-dialkylaminomethyl)arylboronate system.","Journal of the American Chemical Society","2006","128","4","1222","1232","10.1021/ja055817c","","","0.71073","MoKα","","0.0301","0.0251","","","0.0633","0.0661","","","","","","1.045","","","","has coordinates","240013","2020-10-21","18:00:00",""
"4300343","16.1421","0.0006","16.1421","0.0006","29.4689","0.0014","90","","90","","90","","7678.6","0.5","173","2","173","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C28 H42 Cl4 N4 Ni4 O9 -","- C28 H40 Cl4 N4 Ni4 O9 -","- C224 H320 Cl32 N32 Ni32 O72 -","8","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050093r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300344","16.6017","0.0005","16.6017","0.0005","29.3656","0.0017","90","","90","","90","","8093.6","0.6","150","2","150","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C32 H50 Cl4 N4 Ni4 O9 -","- C32 H24 Cl4 N4 Ni4 O8.301 -","- C256 H192 Cl32 N32 Ni32 O66.408 -","8","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050093r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300345","12.8389","0.0003","12.8389","0.0003","35.047","0.002","90","","90","","90","","5777.1","0.4","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H80 Cl4 N4 Ni4 O8 -","- C48 H80 Cl4 N4 Ni4 O8 -","- C192 H320 Cl16 N16 Ni16 O32 -","4","0.25","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050093r","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300346","25.2519","0.0016","20.2768","0.0013","40.811","0.003","90","","106.914","0.001","90","","19993","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H96 Cl4 N4 Ni4 O8 -","- C60 H82.478 Cl4 N4 Ni4 O8 -","- C720 H989.736 Cl48 N48 Ni48 O96 -","12","1.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050093r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179041","2020-10-21","18:00:00",""
"4300347","12.8739","0.0003","12.8739","0.0003","36.3672","0.0019","90","","90","","90","","6027.4","0.4","213","2","213","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H80 Br4 N4 Ni4 O8 -","- C48 H80 Br4 N4 Ni4 O8 -","- C192 H320 Br16 N16 Ni16 O32 -","4","0.25","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050093r","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300348","13.408","0.0004","13.408","0.0004","42.329","0.003","90","","90","","90","","7609.7","0.6","213","2","213","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C64 H112 Cl4 N4 Ni4 O8 -","- C64 H112 Cl4 N4 Ni4 O8 -","- C256 H448 Cl16 N16 Ni16 O32 -","4","0.25","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050093r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300350","9.356","0.0019","10.222","0.002","20.934","0.004","90","","99.68","0.03","90","","1973.6","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","- C80 H128 N16 O16 -","8","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4300351","10.001","0.002","11.211","0.002","15.158","0.003","92.44","0.03","105.58","0.03","96.81","0.03","1620.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 La N8 O13.5 -","- C22 H36 La N8 O13.5 -","- C44 H72 La2 N16 O27 -","2","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300352","10.7904","0.0003","16.4723","0.0004","14.5036","0.0004","90","","100.35","0.001","90","","2535.96","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 La N7 O13 -","- C14 H28 La N7 O13 -","- C56 H112 La4 N28 O52 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300353","10.234","0.002","14.522","0.003","18.984","0.004","90","","90","","90","","2821.4","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 N7 Nd O13 -","- C20 H32 N7 Nd O13 -","- C80 H128 N28 Nd4 O52 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300354","10.7157","0.0001","16.3446","0.0002","14.4342","0.0002","90","","100.542","0.001","90","","2485.39","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 N7 Nd O13 -","- C14 H28 N7 Nd O13 -","- C56 H112 N28 Nd4 O52 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300355","10.243","0.002","14.424","0.003","18.92","0.004","90","","90","","90","","2795.4","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 Eu N7 O13 -","- C20 H32 Eu N7 O13 -","- C80 H128 Eu4 N28 O52 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300356","10.6595","0.0005","16.2631","0.0008","14.3906","0.0007","90","","100.636","0.001","90","","2451.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Eu N7 O13 -","- C14 H28 Eu N7 O13 -","- C56 H112 Eu4 N28 O52 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300357","10.1554","0.0004","14.368","0.0006","18.8152","0.0008","90","","90","","90","","2745.4","0.2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 Gd N7 O13 -","- C20 H32 Gd N7 O13 -","- C80 H128 Gd4 N28 O52 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300358","13.0844","0.0005","11.3437","0.0004","15.8016","0.0006","90","","98.189","0.001","90","","2321.45","0.15","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Gd N7 O13 -","- C14 H28 Gd N7 O13 -","- C56 H112 Gd4 N28 O52 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300359","11.58082","0.00032","7.70682","0.0002","15.998","0.0004","90","","107.636","0.0019","90","","1360.74","0.07","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 N2 O4 Zn -","- C13 N2 O4 Zn -","- C52 N8 O16 Zn4 -","4","1","","Kjell Ove Kongshaug; Fjellvag, Helmer","Design of novel bilayer compounds of CPO-8 type containing 1D channels","Inorganic Chemistry","2006","","","","","10.1021/ic050662v","","","","","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"4300360","25.9183","0.0009","7.43553","0.0003","16.2652","0.0006","90","","113.135","0.0024","90","","2882.47","0.2","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 N2 O4 Zn -","- C14 N2 O4 Zn -","- C112 N16 O32 Zn8 -","8","1","","Kjell Ove Kongshaug; Fjellvag, Helmer","Design of novel bilayer compounds of CPO-8 type containing 1D channels","Inorganic Chemistry","2006","","","","","10.1021/ic050662v","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"4300361","26.0449","0.0009","7.44816","0.00029","16.2399","0.0006","90","","113.331","0.0024","90","","2892.72","0.2","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 N2 O4 Zn -","- C14 N2 O4 Zn -","- C112 N16 O32 Zn8 -","8","1","","Kjell Ove Kongshaug; Fjellvag, Helmer","Design of novel bilayer compounds of CPO-8 type containing 1D channels","Inorganic Chemistry","2006","","","","","10.1021/ic050662v","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"4300362","16.0405","0.0004","7.65135","0.00018","25.1087","0.0005","90","","90","","90","","3081.64","0.14","","","","","","","","","","","","4","P n a 21","","","","","","- C29 N4 O8 Zn2 -","- C29 N4 O8 Zn2 -","- C116 N16 O32 Zn8 -","4","1","","Kjell Ove Kongshaug; Fjellvag, Helmer","Design of novel bilayer compounds of CPO-8 type containing 1D channels","Inorganic Chemistry","2006","","","","","10.1021/ic050662v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300363","11.2615","0.0018","7.6501","0.0012","16.284","0.003","90","","92.921","0.005","90","","1401","0.4","273","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O5 Zn -","- C13 H5 N2 O5 Zn -","- C52 H20 N8 O20 Zn4 -","4","1","","Kjell Ove Kongshaug; Fjellvag, Helmer","Design of novel bilayer compounds of CPO-8 type containing 1D channels","Inorganic Chemistry","2006","","","","","10.1021/ic050662v","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300364","12.4676","0.0009","7.6792","0.0006","16.1832","0.0012","90","","108.963","0.002","90","","1465.31","0.19","273","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 N8 O28 Zn4 -","- C52 H36 N8 O28 Zn4 -","- C52 H36 N8 O28 Zn4 -","1","0.25","","Kjell Ove Kongshaug; Fjellvag, Helmer","Design of novel bilayer compounds of CPO-8 type containing 1D channels","Inorganic Chemistry","2006","","","","","10.1021/ic050662v","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300365","26.5106","0.0019","7.4518","0.0005","16.389","0.0012","90","","114.029","0.001","90","","2957.1","0.4","273","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N2 O6.5 Zn -","- C14 H10 N2 O6.5 Zn -","- C112 H80 N16 O52 Zn8 -","8","1","","Kjell Ove Kongshaug; Fjellvag, Helmer","Design of novel bilayer compounds of CPO-8 type containing 1D channels","Inorganic Chemistry","2006","","","","","10.1021/ic050662v","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300366","26.544","0.006","7.4487","0.0016","16.339","0.004","90","","113.588","0.005","90","","2960.6","1.1","273","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N2 O6.5 Zn -","- C14 H11 N2 O6.5 Zn -","- C112 H88 N16 O52 Zn8 -","8","1","","Kjell Ove Kongshaug; Fjellvag, Helmer","Design of novel bilayer compounds of CPO-8 type containing 1D channels","Inorganic Chemistry","2006","","","","","10.1021/ic050662v","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300367","16.205","0.004","7.6783","0.0016","25.247","0.005","90","","90","","90","","3141.2","1.2","273","2","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C116 H144 N16 O56 Zn8 -","- C116 H96 N16 O56 Zn8 -","- C116 H96 N16 O56 Zn8 -","1","0.25","","Kjell Ove Kongshaug; Fjellvag, Helmer","Design of novel bilayer compounds of CPO-8 type containing 1D channels","Inorganic Chemistry","2006","","","","","10.1021/ic050662v","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300368","12.989","0.003","14.384","0.003","14.553","0.003","86.078","0.008","82.261","0.007","64.438","0.009","2430.4","0.9","105","","105","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H54 Cl2 Cu N4 O2 -","- C61 H54 Cl2 Cu N4 O2 -","- C122 H108 Cl4 Cu2 N8 O4 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050841c","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300369","14.932","0.002","17.009","0.002","22.907","0.003","70.58","0.005","73.315","0.005","88.44","0.006","5240.9","1.2","105","","105","","","","","","","","","6","P -1","-P 1","2","","","","- C124 H111 Cl9 N8 Ni2 O5 -","- C124 H109.608 Cl9 N8 Ni2 O5 -","- C248 H219.216 Cl18 N16 Ni4 O10 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050841c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277859","2022-09-15","00:05:25",""
"4300370","11.4726","0.001","12.1751","0.0009","25.367","0.002","89.524","0.006","80.612","0.007","64.543","0.008","3148.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H49 Mn2 N33 O -","- C58 H49 Mn2 N33 O -","- C116 H98 Mn4 N66 O2 -","2","1","","Wang, Guangbin; Zhu, Huifang; Fan, Jian; Slebodnick, Carla; Yee, Gordon T.","Coordination complexes with cis-TCNE Radical Anion ligands. Models of M[TCNE]~2~ Magnets.","Inorganic Chemistry","2006","","","","","10.1021/ic050854q","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300371","16.716","0.003","21.084","0.003","16.669","0.002","90","","117.862","0.018","90","","5193.9","1.5","283","2","283","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cl2 Mn2 N24 O8 -","- C40 H36 Cl2 Mn2 N24 O8 -","- C160 H144 Cl8 Mn8 N96 O32 -","4","0.5","","Wang, Guangbin; Zhu, Huifang; Fan, Jian; Slebodnick, Carla; Yee, Gordon T.","Coordination complexes with cis-TCNE Radical Anion ligands. Models of M[TCNE]~2~ Magnets.","Inorganic Chemistry","2006","","","","","10.1021/ic050854q","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300372","15.2554","0.0013","8.8516","0.0008","14.98","0.0012","90","","90","","90","","2022.8","0.3","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H25 Fe N3 O2 S -","- C19 H25 Fe N3 O2 S -","- C76 H100 Fe4 N12 O8 S4 -","4","1","","Karambelkar, Vivek; Xiao, Chuanyun; Zhang, Yingkai; Narducci Sarjeant, Amy A.; Goldberg, David P.","","Inorganic Chemistry","2006","","","","","10.1021/ic050995s","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300373","11.2307","0.0014","10.1082","0.001","20.625","0.002","90","","91.803","0.009","90","","2340.3","0.4","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N3 O6 S Zn2 -","- C21 H27 N3 O6 S Zn2 -","- C84 H108 N12 O24 S4 Zn8 -","4","1","","Karambelkar, Vivek; Xiao, Chuanyun; Zhang, Yingkai; Narducci Sarjeant, Amy A.; Goldberg, David P.","","Inorganic Chemistry","2006","","","","","10.1021/ic050995s","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4300374","14.8866","0.0006","16.0517","0.0006","20.409","0.0008","84.238","0.003","77.781","0.003","82.449","0.003","4711.7","0.3","","","","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H54 B2 F8 N6 O5 S2 Zn3 -","- C39 H54 B2 F8 N6 O5 S2 Zn3 -","- C156 H216 B8 F32 N24 O20 S8 Zn12 -","4","2","","Karambelkar, Vivek; Xiao, Chuanyun; Zhang, Yingkai; Narducci Sarjeant, Amy A.; Goldberg, David P.","","Inorganic Chemistry","2006","","","","","10.1021/ic050995s","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300375","18.458","0.002","12.0616","0.0014","11.4859","0.0014","90","","90","","90","","2557.2","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H20 Co3 N4 O12 -","- C24 H20 Co3 N4 O12 -","- C96 H80 Co12 N16 O48 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050999x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300376","18.2119","0.0012","11.6847","0.0007","12.0688","0.0006","90","","90","","90","","2568.2","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H20 Cu3 N4 O12 -","- C24 H20 Cu3 N4 O12 -","- C96 H80 Cu12 N16 O48 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic050999x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300377","9.5127","0.0011","24.6398","0.0018","17.5613","0.0013","90","","95.477","0.002","90","","4097.4","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 Cu I N3 P2 S -","- C44 H39 Cu I N3 P2 S -","- C176 H156 Cu4 I4 N12 P8 S4 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300378","12.3833","0.0009","13.1945","0.0009","14.729","0.0011","97.99","0.001","93.996","0.001","117.67","0.001","2085.8","0.3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H42 Br Cu N4 P2 S -","- C46 H42 Br Cu N4 P2 S -","- C92 H84 Br2 Cu2 N8 P4 S2 -","2","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300379","11.134","0.001","16.1713","0.0014","14.1695","0.0013","90","","93.644","0.002","90","","2546.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Br2 Cu2 N6 P2 S2 -","- C52 H48 Br2 Cu2 N6 P2 S2 -","- C104 H96 Br4 Cu4 N12 P4 S4 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300380","9.3175","0.001","11.0191","0.0013","14.2341","0.0016","74.159","0.002","74.335","0.002","79.661","0.002","1344.8","0.3","102","2","102","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H54 Cl2 Cu2 N8 P2 S2 -","- C56 H54 Cl2 Cu2 N8 P2 S2 -","- C56 H54 Cl2 Cu2 N8 P2 S2 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300381","12.954","0.002","10.7147","0.0018","28.648","0.005","90","","93.367","0.003","90","","3969.5","1.2","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Cu I N4 P2 S -","- C43 H38 Cu I N4 P2 S -","- C172 H152 Cu4 I4 N16 P8 S4 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300382","14.45","0.002","12.884","0.002","23.616","0.004","90","","96.299","0.004","90","","4370.1","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Br Cu N4 P2 S -","- C43 H38 Br Cu N4 P2 S -","- C172 H152 Br4 Cu4 N16 P8 S4 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300383","28.879","0.004","12.6148","0.0015","22.867","0.003","90","","96.526","0.002","90","","8276.5","1.8","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Cl Cu N5 P2 S -","- C45 H41 Cl Cu N5 P2 S -","- C360 H328 Cl8 Cu8 N40 P16 S8 -","8","2","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300384","11.064","0.003","16.157","0.005","13.782","0.004","90","","95.04","0.005","90","","2454.3","1.3","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cu2 I2 N6 O2 P2 S2 -","- C48 H44 Cu2 I2 N6 O2 P2 S2 -","- C96 H88 Cu4 I4 N12 O4 P4 S4 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300385","10.086","0.0014","10.2025","0.0014","13.2143","0.0018","111.129","0.002","94.595","0.002","98.537","0.002","1241.1","0.3","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H50 Br2 Cu2 N8 O2 P2 S2 -","- C48 H48 Br2 Cu2 N8 O2 P2 S2 -","- C48 H48 Br2 Cu2 N8 O2 P2 S2 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300386","9.9003","0.0013","10.1612","0.0013","13.2325","0.0017","111.705","0.002","94.763","0.003","97.903","0.003","1212","0.3","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H50 Cl2 Cu2 N8 O2 P2 S2 -","- C48 H50 Cl2 Cu2 N8 O2 P2 S2 -","- C48 H50 Cl2 Cu2 N8 O2 P2 S2 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300387","16.3959","0.001","16.7222","0.001","17.2373","0.0011","102.673","0.001","114.97","0.001","103.467","0.001","3886.6","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Cu2 I2 N6 P2 S4 -","- C48 H44 Cu2 I2 N6 P2 S4 -","- C144 H132 Cu6 I6 N18 P6 S12 -","3","1.5","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300388","9.5213","0.0006","10.8798","0.0006","13.722","0.0009","103.047","0.001","105.44","0.001","101.112","0.001","1285.5","0.14","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H48 Br2 Cu2 N6 O2 P2 S4 -","- C48 H48 Br2 Cu2 N6 O2 P2 S4 -","- C48 H48 Br2 Cu2 N6 O2 P2 S4 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300389","10.19","0.002","5.7192","0.0011","12.082","0.002","90","","92.46","0.03","90","","703.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- F7 O2 Sb Xe -","- F7 O2 Sb Xe -","- F28 O8 Sb4 Xe4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0510260","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300390","12.9188","0.0009","12.9188","0.0009","14.6612","0.0016","90","","90","","120","","2119.1","0.3","146","2","146","2","","","","","","","","4","R 3 :H","R 3","146","","","","- F28 O8 Sb4 Xe4 -","- F27.96 O8.04 Sb4 Xe4 -","- F83.88 O24.12 Sb12 Xe12 -","3","0.333333","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0510260","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300391","8.658","0.006","8.699","0.006","8.916","0.006","90","","90","","90","","671.5","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- As F7 O2 Xe -","- As F7 O2 Xe -","- As4 F28 O8 Xe4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0510260","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300392","10.4725","0.0018","5.3326","0.0008","18.316","0.0006","90","","101.176","0.005","90","","1003.5","0.2","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- As F9 O4 Xe2 -","- As F9 O4 Xe2 -","- As4 F36 O16 Xe8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0510260","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300393","5.6586","0.0011","8.6566","0.0017","12.404","0.003","90","","102.72","0.03","90","","592.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- F15 O Sb Xe2 -","- F15 O Sb Xe2 -","- F30 O2 Sb2 Xe4 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0510260","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300394","27.2036","0.0011","9.0209","0.0004","15.4178","0.0006","90","","112.212","0.001","90","","3502.8","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 Cl Cu N4 S -","- C18 H15 Cl Cu N4 S -","- C144 H120 Cl8 Cu8 N32 S8 -","8","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300395","28.6584","0.0005","11.7238","0.0002","18.0082","0.0003","90","","90","","90","","6050.49","0.18","150","1","150","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H26 Cl2 Cu2 N10 O -","- C32 H26 Cl2 Cu2 N10 O -","- C256 H208 Cl16 Cu16 N80 O8 -","8","0.5","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300396","10.5476","0.0002","23.3966","0.0003","15.1012","0.0002","90","","94.3235","0.0006","90","","3716.04","0.1","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl2 Cu2 N11 O9 -","- C34 H29 Cl2 Cu2 N11 O9 -","- C136 H116 Cl8 Cu8 N44 O36 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300397","7.7002","0.0005","7.8855","0.0005","24.644","0.0016","90","","95.929","0.002","90","","1488.38","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl Cu N5 -","- C16 H12 Cl Cu N5 -","- C64 H48 Cl4 Cu4 N20 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300398","11.4506","0.0004","11.4944","0.0004","12.199","0.0003","102.217","0.002","105.351","0.001","111.979","0.001","1346.34","0.07","153","2","153","2","","","","","","","","9","P 1","P 1","1","","","","- C58 H49 B Cl F4 N3 O6.5 P2 Ru -","- C58 H49 B Cl F4 N3 O6.5 P2 Ru -","- C58 H49 B Cl F4 N3 O6.5 P2 Ru -","1","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051032w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300399","11.357","0.0009","8.8819","0.0007","9.92","0.0008","90","","90.71","0.001","90","","1000.57","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ICMM8","","","- C2 H14 Ge3 N2 O9 -","- C2 H14 Ge3 N2 O9 -","- C8 H56 Ge12 N8 O36 -","4","1","","Natalia Snejko; Enrique Gutierrez-Puebla; Angeles Monge; Manuela Eloisa Medina Muñoz","GeO2 natroline-type infinite four and eight-R containing layers in a 2D pure-Ge framework: Ge3O5(OH)4[C2N2H10].","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300400","13.5814","0.0017","14.184","0.003","27.412","0.003","90","","90","","90","","5280.5","1.4","148","2","148","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C18 H26 Cl2 Hg N2 O8 S4 -","- C18 H26 Cl2 Hg N2 O8 S4 -","- C144 H208 Cl16 Hg8 N16 O64 S32 -","8","0.5","","Wei Lai; Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Investigation of Group 12 Metal Complexes with a Tridentate SNS Ligand by X-ray Crystallography and 1H NMR Spectroscopy","Inorganic Chemistry","2006","45","","571","581","10.1021/ic051091+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300401","14.2898","0.0019","13.5492","0.0017","27.536","0.004","90","","90","","90","","5331.4","1.2","103","2","103","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C18 H26 Cd Cl2 N2 O8 S4 -","- C18 H26 Cd Cl2 N2 O8 S4 -","- C144 H208 Cd8 Cl16 N16 O64 S32 -","8","1","","Wei Lai; Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Investigation of Group 12 Metal Complexes with a Tridentate SNS Ligand by X-ray Crystallography and 1H NMR Spectroscopy","Inorganic Chemistry","2006","45","","571","581","10.1021/ic051091+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300402","11.982","0.006","11.667","0.006","19.559","0.011","90","","103.672","0.009","90","","2657","2","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Cl2 N2 O8 S4 Zn -","- C18 H26 Cl2 N2 O8 S4 Zn -","- C72 H104 Cl8 N8 O32 S16 Zn4 -","4","1","","Wei Lai; Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Investigation of Group 12 Metal Complexes with a Tridentate SNS Ligand by X-ray Crystallography and 1H NMR Spectroscopy","Inorganic Chemistry","2006","45","","571","581","10.1021/ic051091+","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300403","7.57","0.02","7.84","0.02","11.67","0.03","87.92","0.05","83.39","0.05","81.87","0.05","681","3","148","2","148","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 Cl2 Hg N S2 -","- C9 H13 Cl2 Hg N S2 -","- C18 H26 Cl4 Hg2 N2 S4 -","2","1","","Wei Lai; Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Investigation of Group 12 Metal Complexes with a Tridentate SNS Ligand by X-ray Crystallography and 1H NMR Spectroscopy","Inorganic Chemistry","2006","45","","571","581","10.1021/ic051091+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300404","7.8108","0.0013","14.487","0.003","11.835","0.002","90","","103.095","0.003","90","","1304.3","0.4","148","2","148","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 Cd2 Cl4 N2 S4 -","- C18 H26 Cd2 Cl4 N2 S4 -","- C36 H52 Cd4 Cl8 N4 S8 -","2","1","","Wei Lai; Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Investigation of Group 12 Metal Complexes with a Tridentate SNS Ligand by X-ray Crystallography and 1H NMR Spectroscopy","Inorganic Chemistry","2006","45","","571","581","10.1021/ic051091+","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300405","15.09","0.006","15.121","0.006","11.663","0.005","90","","90","","90","","2661.2","1.9","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 Cl2 N S2 Zn -","- C9 H13 Cl2 N S2 Zn -","- C72 H104 Cl16 N8 S16 Zn8 -","8","2","","Wei Lai; Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Investigation of Group 12 Metal Complexes with a Tridentate SNS Ligand by X-ray Crystallography and 1H NMR Spectroscopy","Inorganic Chemistry","2006","45","","571","581","10.1021/ic051091+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300406","16.097","0.003","15.619","0.003","14.524","0.002","90","","112.267","0.003","90","","3379.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H46 Cu2 Fe4 N24 O15 -","- C60 H46 Cu2 Fe4 N24 O15 -","- C120 H92 Cu4 Fe8 N48 O30 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0511468","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300407","10.6602","0.001","11.9053","0.0013","22.724","0.002","90","","90","","90","","2884","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 Cu Fe N9 O6 -","- C27 H20 Cu Fe N9 O6 -","- C108 H80 Cu4 Fe4 N36 O24 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0511468","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300408","15.5338","0.0004","26.2245","0.0008","29.4515","0.0009","90","","102.472","0.002","90","","11714.4","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Fe2 Mn N12 O10 -","- C32 H32 Fe2 Mn N12 O10 -","- C384 H384 Fe24 Mn12 N144 O120 -","12","1.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0511468","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300409","10.2695","0.001","10.4904","0.001","14.0838","0.0014","110.382","0.002","100.025","0.002","93.354","0.002","1388.8","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H32 Cl2 F12 N6 P2 Ru2 S6 -","- C24 H32 Cl2 F12 N6 P2 Ru2 S6 -","- C24 H32 Cl2 F12 N6 P2 Ru2 S6 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051151b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300410","11.398","0.005","12.47","0.006","16.302","0.007","68.837","0.008","72.709","0.009","71.477","0.008","2004.8","1.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H30 F12 N5 O4 P2 Ru S4 -","- C18 H30 F12 N5 O4 P2 Ru S4 -","- C36 H60 F24 N10 O8 P4 Ru2 S8 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051151b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300411","16.6771","0.0012","10.9629","0.0008","19.3193","0.0014","90","","113.425","0.001","90","","3241","0.4","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C32 H52 F24 N10 O8 P4 Ru2 S8 -","- C32 H52 F24 N10 O8 P4 Ru2 S8 -","- C64 H104 F48 N20 O16 P8 Ru4 S16 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051151b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179042","2020-10-21","18:00:00",""
"4300412","9.8071","0.0007","13.0989","0.0009","21.4652","0.0015","105.277","0.001","97.316","0.001","98.166","0.001","2593.6","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(TPP)Mn(NO)(1-MeIm).(2.5toluene)","","","- C65.5 H53.5 Mn N7 O -","- C65.5 H53.5 Mn N7 O -","- C131 H107 Mn2 N14 O2 -","2","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300413","11.2211","0.0011","16.2198","0.0016","6.8987","0.0007","90","","94.795","0.001","90","","1251.2","0.2","90","2","90","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","(C~4~H~10~N~4~)Pt(mnt)^.^H~2~O","","","- C8 H12 N6 O Pt S2 -","- C8 H12 N6 O Pt S2 -","- C32 H48 N24 O4 Pt4 S8 -","4","0.5","","Jay R. Stork; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Metal-Metal Interactions in Thallium(I)/Platinum(II) Compounds Involving a Chelating Dicarbene and Various Auxiliary Ligands","Inorganic Chemistry","2006","45","","849","857","10.1021/ic051252+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179042","2020-10-21","18:00:00",""
"4300414","21.352","0.0018","7.0531","0.0006","23.395","0.003","90","","123.213","0.002","90","","2947.7","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(C~4~H~10~N~4~)Pt(dmg-H)^.^3H~2~O","","","- C8 H22 N6 O5 Pt -","- C8 H22 N6 O5 Pt -","- C64 H176 N48 O40 Pt8 -","8","2","","Jay R. Stork; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Metal-Metal Interactions in Thallium(I)/Platinum(II) Compounds Involving a Chelating Dicarbene and Various Auxiliary Ligands","Inorganic Chemistry","2006","45","","849","857","10.1021/ic051252+","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300415","8.7253","0.0018","11.071","0.002","13.609","0.003","90","","90","","90","","1314.6","0.5","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tl[(C~4~H~9~N~4~)Pt(mnt)]","","","- C8 H9 N6 Pt S2 Tl -","- C8 H9 N6 Pt S2 Tl -","- C32 H36 N24 Pt4 S8 Tl4 -","4","1","","Jay R. Stork; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Metal-Metal Interactions in Thallium(I)/Platinum(II) Compounds Involving a Chelating Dicarbene and Various Auxiliary Ligands","Inorganic Chemistry","2006","45","","849","857","10.1021/ic051252+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300416","6.8447","0.0006","12.215","0.001","12.325","0.0011","116.443","0.001","91.02","0.002","103.837","0.002","886.68","0.13","90","2","90","2","","","","","","","","6","P -1","-P 1","2","Tl~2~[(C~4~H~9~N~4~)Pt(dmg-H)]~2~^.^10H~2~O","","","- C8 H25 N6 O7 Pt Tl -","- C8 H25 N6 O7 Pt Tl -","- C16 H50 N12 O14 Pt2 Tl2 -","2","1","","Jay R. Stork; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Metal-Metal Interactions in Thallium(I)/Platinum(II) Compounds Involving a Chelating Dicarbene and Various Auxiliary Ligands","Inorganic Chemistry","2006","45","","849","857","10.1021/ic051252+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300417","11.725","0.002","15.846","0.003","6.978","0.0014","90","","90","","90","","1296.5","0.4","153","2","153","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C7 H17 Co N O11 -","- C7 H16 Co N O11 -","- C28 H64 Co4 N4 O44 -","4","0.5","","Yi-Long Lu; Jing-Yun Wu; Ming-Che Chan; Sheng-Ming Huang; Chia-Shiang Lin; Te-Wei Chiu; Yen-Hsiang Liu; Yuh-Sheng Wen; Chuen-Her Ueng; Tsung-Mei Chin; Chen-Hsiung Hung; Kuang-Lieh Lu","Influence of water content on the self-assembly of metal-organic frameworks based on pyridine-3,5-dicarboxylate","Inorganic Chemistry","2006","","","","","10.1021/ic0512577","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300418","11.389","0.002","7.101","0.0014","15.687","0.003","90","","116.33","0.03","90","","1137","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 Co N O9 -","- C7 H13 Co N O9 -","- C28 H52 Co4 N4 O36 -","4","1","","Yi-Long Lu; Jing-Yun Wu; Ming-Che Chan; Sheng-Ming Huang; Chia-Shiang Lin; Te-Wei Chiu; Yen-Hsiang Liu; Yuh-Sheng Wen; Chuen-Her Ueng; Tsung-Mei Chin; Chen-Hsiung Hung; Kuang-Lieh Lu","Influence of water content on the self-assembly of metal-organic frameworks based on pyridine-3,5-dicarboxylate","Inorganic Chemistry","2006","","","","","10.1021/ic0512577","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300419","8.7642","0.0016","19.75","0.003","11.4116","0.0016","90","","100.492","0.002","90","","1942.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cu N3 O6 -","- C19 H19 Cu N3 O6 -","- C76 H76 Cu4 N12 O24 -","4","1","","Yi-Long Lu; Jing-Yun Wu; Ming-Che Chan; Sheng-Ming Huang; Chia-Shiang Lin; Te-Wei Chiu; Yen-Hsiang Liu; Yuh-Sheng Wen; Chuen-Her Ueng; Tsung-Mei Chin; Chen-Hsiung Hung; Kuang-Lieh Lu","Influence of water content on the self-assembly of metal-organic frameworks based on pyridine-3,5-dicarboxylate","Inorganic Chemistry","2006","","","","","10.1021/ic0512577","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300420","7.513","0.004","17.438","0.007","8.404","0.004","90","","94.53","0.04","90","","1097.6","0.9","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(N3)2(2,6-dimethylpyz)(H2O)]n","","","- C6 H10 Mn N8 O -","- C6 H10 Mn N8 O -","- C24 H40 Mn4 N32 O4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051258z","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300421","8.6","0.002","13.44","0.004","24.083","0.007","90","","90","","90","","2783.6","1.3","99","2","99","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Mn(N3)2(chloro-pyrazine)2]n","","","- C8 H6 Cl2 Mn N10 -","- C8 H6 Cl2 Mn N10 -","- C64 H48 Cl16 Mn8 N80 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051258z","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300422","20.438","0.007","7.711","0.002","7.457","0.002","90","","93.76","0.03","90","","1172.7","0.6","99","2","99","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn(N3)2(H2O)2](2,3-Dimethylpyrazine)","","","- C6 H12 Mn N8 O2 -","- C6 H12 Mn N8 O2 -","- C24 H48 Mn4 N32 O8 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051258z","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300423","7.386","0.002","8.434","0.002","9.442","0.003","71.82","0.02","72.08","0.02","88.54","0.02","530.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Mn(N3)2(Ethylpyrazine)(H2O)]n","","","- C6 H10 Mn N8 O -","- C6 H10 Mn N8 O -","- C12 H20 Mn2 N16 O2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051258z","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300424","8.521","0.002","13.787","0.003","26.237","0.005","90","","90","","90","","3082.2","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Mn(Ipyz)2(N3)2]n","","","- C8 H6 I2 Mn N10 -","- C8 H6 I2 Mn N10 -","- C64 H48 I16 Mn8 N80 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051258z","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300425","8.0335","0.0003","8.0335","0.0003","14.5718","0.0005","90","","90","","120","","814.43","0.05","293","2","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Na2 Nb20 O36 Sc4 -","- Na1.98 Nb19.962 O36 Sc4.038 -","- Na1.98 Nb19.962 O36 Sc4.038 -","1","0.0555556","","Farrugia, Louis J.","","Inorganic Chemistry","2006","","","","","10.1021/ic0512678","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300426","13.5924","0.0015","27.841","0.003","13.2811","0.0015","90","","113.1","0.002","90","","4623","0.9","273","2","273","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C14.38 H19.5 Ag2 B2.5 F8.63 N5.13 O -","- C14.37 H19.555 Ag2 B2.5 F8.611 N5.185 O0.75 -","- C114.96 H156.44 Ag16 B20 F68.888 N41.48 O6 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0512835","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4300427","7.8143","0.0007","25.736","0.002","21.1937","0.0018","90","","96.381","0.002","90","","4235.9","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Ag4 B4 F16 N10 -","- C28 H38 Ag4 B4 F16 N10 -","- C112 H152 Ag16 B16 F64 N40 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0512835","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179042","2020-10-21","18:00:00",""
"4300428","6.8504","0.001","8.4092","0.0012","11.5982","0.0017","110.934","0.006","97.226","0.006","96.238","0.006","610.51","0.15","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C18 H24 Ag2 B2 F8 N6 -","- C18 H24 Ag2 B2 F8 N6 -","- C18 H24 Ag2 B2 F8 N6 -","1","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0512835","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300429","15.3184","0.0013","10.4897","0.0015","18.8193","0.0017","90","","90","","90","","3024","0.6","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Ag B F4 N4 -","- C12 H16 Ag B F4 N4 -","- C96 H128 Ag8 B8 F32 N32 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0512835","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300430","8.6991","0.0004","14.106","0.0007","12.9311","0.0007","90","","109.607","0.002","90","","1494.76","0.13","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Ag B F4 N4 -","- C12 H16 Ag B F4 N4 -","- C48 H64 Ag4 B4 F16 N16 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0512835","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300431","7.1224","0.0007","10.618","0.001","19.1669","0.0018","92.49","0.005","96.249","0.005","93.248","0.005","1436.8","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Ag2 B2 F8 N6 -","- C26 H24 Ag2 B2 F8 N6 -","- C52 H48 Ag4 B4 F16 N12 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0512835","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300432","10.3431","0.0004","17.0246","0.0005","23.3149","0.0008","90","","90","","90","","4105.5","0.2","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 Ag4 F12 N8 O8 -","- C32 H32 Ag4 F12 N8 O8 -","- C128 H128 Ag16 F48 N32 O32 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051284x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300433","10.2555","0.001","23.941","0.002","9.1244","0.0008","90","","91.743","0.004","90","","2239.3","0.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Ag2 F6 N4 O6 S2 -","- C14 H16 Ag2 F6 N4 O6 S2 -","- C56 H64 Ag8 F24 N16 O24 S8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051284x","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300434","12.5447","0.0009","10.5573","0.0007","12.9994","0.0009","90","","108.001","0.002","90","","1637.3","0.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Ag F3 N4 O2 -","- C14.002 H16 Ag F3.006 N4 O2 -","- C56.008 H64 Ag4 F12.024 N16 O8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051284x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179042","2020-10-21","18:00:00",""
"4300435","7.5817","0.0008","10.4787","0.0013","21.663","0.002","90","","90","","90","","1721.1","0.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Ag F3 N4 O3 S -","- C13 H16 Ag F3 N4 O3 S -","- C52 H64 Ag4 F12 N16 O12 S4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051284x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300436","11.6824","0.0011","12.2492","0.0011","13.2975","0.0012","78.317","0.002","64.335","0.002","75.003","0.002","1647.8","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Ag2 F6 N7 O4 -","- C32 H27 Ag2 F6 N7 O4 -","- C64 H54 Ag4 F12 N14 O8 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051284x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300437","12.552","0.001","14.0365","0.001","19.7135","0.0016","100.968","0.002","97.572","0.002","102.963","0.002","3267.2","0.4","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H48 Ag4 F12 N12 O12 S4 -","- C56 H48 Ag4 F12 N12 O12 S4 -","- C112 H96 Ag8 F24 N24 O24 S8 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051284x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300438","13.3004","0.001","11.2986","0.0009","12.637","0.001","90","","99.339","0.007","90","","1873.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Co2 N8 O14 P2 -","- C28 H46 Co2 N8 O14 P2 -","- C56 H92 Co4 N16 O28 P4 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051286h","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300439","10.1338","0.001","10.5093","0.001","11.1176","0.001","71.871","0.008","78.973","0.008","86.705","0.008","1104.46","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H21 Co N4 O4 P -","- C22 H21 Co N4 O4 P -","- C44 H42 Co2 N8 O8 P2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051286h","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300440","8.5992","0.0007","23.2386","0.0018","20.789","0.0012","90","","98.961","0.006","90","","4103.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Co2 N8 O8 P2 -","- C44 H42 Co2 N8 O8 P2 -","- C176 H168 Co8 N32 O32 P8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051286h","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300441","28.245","0.004","11.8501","0.0016","17.263","0.003","90","","126.8","0.03","90","","4626.3","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Co2 N6 O8.5 P2 -","- C18 H21 Co2 N6 O8.5 P2 -","- C144 H168 Co16 N48 O68 P16 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051286h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300442","11.173","0.002","5.2242","0.0009","17.669","0.0019","90","","100.432","0.012","90","","1014.3","0.3","293","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Co N2 O4 P -","- C7 H10 Co N2 O4 P -","- C28 H40 Co4 N8 O16 P4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051286h","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300443","24.25","0.003","9.3609","0.0009","9.9408","0.0009","90","","94.973","0.013","90","","2248","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Co N2 O3 P -","- C9 H9 Co N2 O3 P -","- C72 H72 Co8 N16 O24 P8 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051286h","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300444","23.535","0.005","9.1145","0.0011","9.8127","0.0019","90","","91.56","0.03","90","","2104.1","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Co N2 O3 P -","- C9 H9 Co N2 O3 P -","- C72 H72 Co8 N16 O24 P8 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051286h","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300445","19.382","0.004","17.872","0.004","17.842","0.004","90","","90","","90","","6180.4","2.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H54 Fe S2 Si2 -","- C24 H54 Fe S2 Si2 -","- C192 H432 Fe8 S16 Si16 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051289u","","","","","","","0.0633","","","0.1602","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300446","12.897","0.002","13.217","0.001","13.22","0.001","98.1","0.01","104.32","0.01","109.86","0.01","1990.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H70 Fe O2 S2 Si2 -","- C32 H70 Fe O2 S2 Si2 -","- C64 H140 Fe2 O4 S4 Si4 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051289u","","","","","","","0.0494","","","0.1311","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300447","24.363","0.002","13.3296","0.001","17.8294","0.0014","90","","90","0.002","90","","5790","0.8","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H94 Br3 Fe2 Na O5 S2 Si2 -","- C44 H94 Br3 Fe2 Na O5 S2 Si2 -","- C176 H376 Br12 Fe8 Na4 O20 S8 Si8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051289u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179042","2020-10-21","18:00:00",""
"4300448","31.884","0.006","9.0048","0.0016","15.318","0.003","90","","90","","90","","4398","1.4","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H70 Fe2 I2 O2 S2 Si2 -","- C32 H70 Fe2 I2 O2 S2 Si2 -","- C128 H280 Fe8 I8 O8 S8 Si8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051289u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300449","11.221","0.002","14.921","0.002","18.382","0.002","90","","106.571","0.006","90","","2949.9","0.7","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N6 -","- C28 H46 N6 -","- C112 H184 N24 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4300450","11.777","0.002","22.315","0.004","12.774","0.002","90","","94.287","0.009","90","","3347.7","1","296.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C31 H52 N6 -","- C31 H52 N6 -","- C124 H208 N24 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4300451","9.767","0.007","11.841","0.008","16.592","0.012","109.96","0.02","96.35","0.03","105.55","0.03","1693.8","2.1","212.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H48 Cl3 Cu N6 -","- C29 H48 Cl3 Cu N6 -","- C58 H96 Cl6 Cu2 N12 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300452","18.333","0.009","15.787","0.008","22.395","0.011","90","","90","","90","","6481.3","5.4","212.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H46 Cl Cu N6 O4 -","- C28 H46 Cl Cu N6 O4 -","- C224 H368 Cl8 Cu8 N48 O32 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300453","16.24","0.004","27.748","0.007","17.75","0.005","90","","90","","90","","7998.7","3.5","212.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H51 Cl2 Cu F6 N7 P -","- C31 H51 Cl2 Cu F6 N7 P -","- C248 H408 Cl16 Cu8 F48 N56 P8 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300454","13.589","0.006","21.247","0.01","16.155","0.008","90","","93.546","0.006","90","","4655.1","3.8","203.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Cl7 Cu N7 O5 -","- C33 H55 Cl7 Cu N7 O5 -","- C132 H220 Cl28 Cu4 N28 O20 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300455","12.691","0.006","16.815","0.007","17.295","0.008","90","","100.862","0.005","90","","3624.6","2.7","294.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H46 Cu F6 N6 O P -","- C29 H46 Cu F6 N6 O P -","- C116 H184 Cu4 F24 N24 O4 P4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300456","15.8003","0.0008","15.4502","0.0007","19.3019","0.001","90","0.0008","93.657","0.0009","90","0.0008","4702.3","0.4","202.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H49 Cl10 Cu N6 O5 -","- C32 H49 Cl10 Cu N6 O5 -","- C128 H196 Cl40 Cu4 N24 O20 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300457","19.985","0.009","16.608","0.007","9.847","0.005","90","","90","","90","","3268.4","2.5","212.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C31 H52 Cl Cu N6 -","- C31 H52 Cl Cu N6 -","- C124 H208 Cl4 Cu4 N24 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300458","33.238","0.012","15.422","0.006","9.683","0.004","90","","90","","90","","4963.6","3.2","212.1","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H60 Cl6 Cu F6 N7 P -","- C36 H60 Cl6 Cu F6 N7 P -","- C144 H240 Cl24 Cu4 F24 N28 P4 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300459","36.99","0.01","12.453","0.004","21.097","0.006","90","","122.23","0.02","90","","8221","4","214.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H61 B Cu N9 O3 -","- C33 H55 B Cu N9 O3 -","- C264 H440 B8 Cu8 N72 O24 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300460","10.592","0.001","17.145","0.001","9.741","0.002","90","","104.2","0.01","90","","1714.9","0.8","296.2","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C31 H52 B Cu N6 O -","- C31 H52 B Cu N6 O -","- C62 H104 B2 Cu2 N12 O2 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300461","9.6613","0.0019","10.641","0.002","13.856","0.003","73.873","0.003","76.235","0.003","67.152","0.003","1247.4","0.4","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H44 Au2 Cl2 N4 O10 P2 -","- C50 H44 Au2 Cl2 N4 O10 P2 -","- C50 H44 Au2 Cl2 N4 O10 P2 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051297a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300462","13.1777","0.0002","14.5761","0.0002","15.4089","0.0002","88.3923","0.0009","83.185","0.0008","67.5237","0.0009","2715.1","0.07","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C94 H112 Au4 Cl4 N8 O24 P4 -","- C94 H112 Au4 Cl4 N8 O24 P4 -","- C94 H112 Au4 Cl4 N8 O24 P4 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051297a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300463","14.6031","0.0003","26.1358","0.0005","14.9999","0.0003","90","","119.011","0.0009","90","","5006.59","0.17","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H108 Au4 Cl4 N8 O26 P4 -","- C90 H108 Au4 Cl4 N8 O26 P4 -","- C180 H216 Au8 Cl8 N16 O52 P8 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051297a","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300464","42.8041","0.0011","30.9919","0.0008","31.2315","0.0008","90","","106.499","0.001","90","","39725.1","1.8","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C167 H194 Au7 F42 N19 O15 P14 -","- C167 H194 Au7 F42 N19 O15 P14 -","- C1336 H1552 Au56 F336 N152 O120 P112 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051297a","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300465","8.3224","0.0001","10.809","0.0001","25.6623","0.0003","90","","96.499","0.001","90","","2293.66","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Ag2 F6 O6 S4 -","- C16 H14 Ag2 F6 O6 S4 -","- C64 H56 Ag8 F24 O24 S16 -","4","1","","Brisse, François; Mohamed Osman, Awaleh; Antonnella, Badia","","Inorganic Chemistry","2006","","","","","10.1021/ic051357c","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300466","30.2872","0.0003","8.879","0.0001","18.0509","0.0002","90","","120.43","","90","","4185.74","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Ag2 F6 O4 S2 -","- C18 H14 Ag2 F6 O4 S2 -","- C144 H112 Ag16 F48 O32 S16 -","8","1","","Brisse, François; Mohamed Osman, Awaleh; Antonnella, Badia","","Inorganic Chemistry","2006","","","","","10.1021/ic051357c","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300467","13.248","0.0002","14.2262","0.0002","14.7858","0.0003","92.851","0.001","101.993","0.001","101.449","0.001","2659.54","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H47 Ag4 Cl4 O18 S5 -","- C41 H47 Ag4 Cl4 O18 S5 -","- C82 H94 Ag8 Cl8 O36 S10 -","2","1","","Brisse, François; Mohamed Osman, Awaleh; Antonnella, Badia","","Inorganic Chemistry","2006","","","","","10.1021/ic051357c","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300468","9.7996","0.0002","10.1521","0.0002","11.7852","0.0002","78.469","0.001","66.297","0.001","68.346","0.001","995.97","0.03","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 Ag F3 O3 S3 -","- C17 H18 Ag F3 O3 S3 -","- C34 H36 Ag2 F6 O6 S6 -","2","1","","Brisse, François; Mohamed Osman, Awaleh; Antonnella, Badia","","Inorganic Chemistry","2006","","","","","10.1021/ic051357c","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300469","13.1732","0.0002","13.8286","0.0002","8.7495","0.0001","90","","92.608","0.001","90","","1592.22","0.04","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Ag2 F6 O4 S -","- C12 H9 Ag2 F6 O4 S -","- C48 H36 Ag8 F24 O16 S4 -","4","1","","Brisse, François; Mohamed Osman, Awaleh; Antonnella, Badia","","Inorganic Chemistry","2006","","","","","10.1021/ic051357c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300470","9.7118","0.0005","11.314","0.0006","14.0734","0.0006","111.128","0.003","91.177","0.003","107.772","0.003","1358.67","0.12","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Ag2 F10 O4 S2 -","- C22 H18 Ag2 F10 O4 S2 -","- C44 H36 Ag4 F20 O8 S4 -","2","1","","Brisse, François; Mohamed Osman, Awaleh; Antonnella, Badia","","Inorganic Chemistry","2006","","","","","10.1021/ic051357c","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300471","9.5464","0.0001","11.2508","0.0002","14.8801","0.0002","88.094","0.001","81.725","0.001","70.387","0.001","1489.6","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Ag2 F14 O4 S2 -","- C23.991 H18 Ag2 F13.979 O4 S2 -","- C47.982 H36 Ag4 F27.958 O8 S4 -","2","1","","Brisse, François; Mohamed Osman, Awaleh; Antonnella, Badia","","Inorganic Chemistry","2006","","","","","10.1021/ic051357c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277859","2022-09-15","00:05:25",""
"4300472","19.1312","0.0002","17.8749","0.0002","8.8084","0.0001","90","","117.088","0.001","90","","2681.78","0.05","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Ag F3 O3 S -","- C11 H13 Ag F3 O3 S -","- C88 H104 Ag8 F24 O24 S8 -","8","1","","Brisse, François; Mohamed Osman, Awaleh; Antonnella, Badia","","Inorganic Chemistry","2006","","","","","10.1021/ic051357c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179042","2020-10-21","18:00:00",""
"4300473","10.2786","0.0001","13.0241","0.0001","13.304","0.0001","116.366","0.001","111.193","0.001","92.934","0.001","1439.23","0.02","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Ag2 F10 O4 S2 -","- C24 H22 Ag2 F10 O4 S2 -","- C48 H44 Ag4 F20 O8 S4 -","2","1","","Brisse, François; Mohamed Osman, Awaleh; Antonnella, Badia","","Inorganic Chemistry","2006","","","","","10.1021/ic051357c","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300474","5.0167","0.0003","12.0797","0.0005","13.1304","0.0005","95.093","0.003","91.816","0.003","98.354","0.003","783.35","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Ag F7 O2 S -","- C13 H11 Ag F7 O2 S -","- C26 H22 Ag2 F14 O4 S2 -","2","1","","Brisse, François; Mohamed Osman, Awaleh; Antonnella, Badia","","Inorganic Chemistry","2006","","","","","10.1021/ic051357c","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300475","5.5556","0.0001","18.6523","0.0004","21.9144","0.0005","90","","90.723","0.002","90","","2270.69","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Ag N O3 S2 -","- C22 H30 Ag N O3 S2 -","- C88 H120 Ag4 N4 O12 S8 -","4","1","","Brisse, François; Mohamed Osman, Awaleh; Antonnella, Badia","","Inorganic Chemistry","2006","","","","","10.1021/ic051357c","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300476","10.1348","0.0013","10.2404","0.0013","12.9074","0.0016","93.968","0.002","106.912","0.002","103.709","0.002","1231.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 Co3 F18 O24 -","- C28 H40 Co3 F18 O24 -","- C28 H40 Co3 F18 O24 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051361o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300477","30.263","0.006","13.942","0.003","16.903","0.003","90","","109.96","0.03","90","","6703","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30.6 Ag F3 N4 O5 -","- C38 H30.6 Ag F3 N4 O5 -","- C304 H244.8 Ag8 F24 N32 O40 -","8","1","","Burchell, Tara J.; Puddephatt, Richard J.","Self-Assembly of Homochiral and Heterochiral Silver(I) Coordination Polymers and Networks","Inorganic Chemistry","2006","45","2","650","659","10.1021/ic051365t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4300478","14.291","0.003","10.937","0.002","24.711","0.005","90","","92.77","0.03","90","","3857.9","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40.5 H36.5 Ag F3 N4 O4.5 -","- C40.5 H36.5 Ag F3 N4 O4.5 -","- C162 H146 Ag4 F12 N16 O18 -","4","1","","Burchell, Tara J.; Puddephatt, Richard J.","Self-Assembly of Homochiral and Heterochiral Silver(I) Coordination Polymers and Networks","Inorganic Chemistry","2006","45","2","650","659","10.1021/ic051365t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4300479","13.882","0.003","13.959","0.003","19.119","0.004","99.13","0.03","103.92","0.03","105.97","0.03","3355.3","1.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H56 Ag2 F6 N8 O12 S2 -","- C71 H56 Ag2 F6 N8 O12 S2 -","- C142 H112 Ag4 F12 N16 O24 S4 -","2","1","","Burchell, Tara J.; Puddephatt, Richard J.","Self-Assembly of Homochiral and Heterochiral Silver(I) Coordination Polymers and Networks","Inorganic Chemistry","2006","45","2","650","659","10.1021/ic051365t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133682","2020-10-21","18:00:00",""
"4300480","13.459","0.003","13.672","0.003","19.467","0.004","97.74","0.03","106.86","0.03","94.18","0.03","3373.2","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H52 Ag2 Cl8 N10 O10 -","- C68 H52 Ag2 Cl8 N10 O10 -","- C136 H104 Ag4 Cl16 N20 O20 -","2","1","","Burchell, Tara J.; Puddephatt, Richard J.","Self-Assembly of Homochiral and Heterochiral Silver(I) Coordination Polymers and Networks","Inorganic Chemistry","2006","45","2","650","659","10.1021/ic051365t","","","","","","","","","","","","","","","","","","","","","has coordinates","133682","2020-10-21","18:00:00",""
"4300481","23.5","0.005","23.828","0.005","26.897","0.005","90","","90","","90","","15061","5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C159 H144 Ag4 F12 N16 O26 -","- C159 H144 Ag4 F12 N16 O26 -","- C636 H576 Ag16 F48 N64 O104 -","4","1","","Burchell, Tara J.; Puddephatt, Richard J.","Self-Assembly of Homochiral and Heterochiral Silver(I) Coordination Polymers and Networks","Inorganic Chemistry","2006","45","2","650","659","10.1021/ic051365t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133682","2020-10-21","18:00:00",""
"4300482","13.467","0.002","16.968","0.003","17.082","0.003","65.669","0.003","84.842","0.003","83.572","0.003","3530","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 F6 N2 O4 S2 -","- C10 H20 F6 N2 O4 S2 -","- C80 H160 F48 N16 O32 S16 -","8","4","","","A New Disordering Mode for TFSI- Anions - The Nonequilibrium, Plastic Crystalline Structure of Et4NTFSI","Inorganic Chemistry","2006","","","","","10.1021/ic0513742","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300483","11.561","0.0015","12.6399","0.0017","13.2156","0.0017","90","","90","","90","","1931.2","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 H12 Au Cl3 N2 O2 -","- C2 H12 Au Cl3 N2 O2 -","- C16 H96 Au8 Cl24 N16 O16 -","8","1","","Zhu, Shourong; Gorski, Waldemar; Powell, Douglas R.; Walmsley, Judith A.","","Inorganic Chemistry","2006","","","","","10.1021/ic051411p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300484","10.2206","0.0016","10.6505","0.0017","13.758","0.002","89.185","0.002","74.812","0.002","62.911","0.002","1277.1","0.3","220","2","220","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H26 Cl Cu N2 O P2 -","- C27 H26 Cl Cu N2 O P2 -","- C54 H52 Cl2 Cu2 N4 O2 P4 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051426n","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300485","8.792","0.0012","13.046","0.0011","24.771","0.003","90","","98.81","0.011","90","","2807.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl N7 O8 Ru -","- C25 H22 Cl N7 O8 Ru -","- C100 H88 Cl4 N28 O32 Ru4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0514288","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300486","8.743","0.0011","24.5","0.003","15.57","0.002","90","","97.896","0.002","90","","3303.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 Cl N7 O9 Ru -","- C27 H28 Cl N7 O9 Ru -","- C108 H112 Cl4 N28 O36 Ru4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0514288","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179042","2020-10-21","18:00:00",""
"4300487","10.001","0.0007","13.156","0.0011","14.043","0.0008","103.831","0.006","106.312","0.005","104.764","0.007","1615.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Cl N7 O8 Ru -","- C30 H28 Cl N7 O8 Ru -","- C60 H56 Cl2 N14 O16 Ru2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0514288","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300488","17.999","0.002","20.75","0.002","21.876","0.002","90","","90","","90","","8170","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H60 Co2 N8 -","- C42 H60 Co2 N8 -","- C336 H480 Co16 N64 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051433b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300489","14.72","0.0011","26.586","0.002","15.6801","0.0012","90","","102.279","0.001","90","","5995.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 K4 N8 O2.5 -","- C52 H80 K4 N8 O2.5 -","- C208 H320 K16 N32 O10 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051433b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4300490","17.94","0.003","20.849","0.003","21.87","0.003","90","","90","","90","","8180","4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H60 N8 Zn2 -","- C42 H60 N8 Zn2 -","- C336 H480 N64 Zn16 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051433b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300491","19.531","0.004","22.835","0.004","24.407","0.005","90","","90","","90","","10885","4","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H45 B F24 Mo P4 S2 -","- C44 H45 B F24 Mo P4 S2 -","- C352 H360 B8 F192 Mo8 P32 S16 -","8","1","","Steven J. Smith; C. Matthew Whaley; Thomas B. Rauchfuss; Wilson, Scott R.","","Inorganic Chemistry","2006","","","","","10.1021/ic051443c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277859","2022-09-15","00:05:25",""
"4300492","13.215","0.006","12.385","0.005","13.228","0.006","90","","92.733","0.007","90","","2162.6","1.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H32 Mo P4 S2 -","- C12 H32 Mo P4 S2 -","- C48 H128 Mo4 P16 S8 -","4","1","","Steven J. Smith; C. Matthew Whaley; Thomas B. Rauchfuss; Wilson, Scott R.","","Inorganic Chemistry","2006","","","","","10.1021/ic051443c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179042","2020-10-21","18:00:00",""
"4300493","12.622","0.004","20.482","0.006","10.506","0.003","90","","90","","90","","2716","1.4","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H39 N O3 P4 S3 W -","- C15 H39 N O3 P4 S3 W -","- C60 H156 N4 O12 P16 S12 W4 -","4","0.5","","Steven J. Smith; C. Matthew Whaley; Thomas B. Rauchfuss; Wilson, Scott R.","","Inorganic Chemistry","2006","","","","","10.1021/ic051443c","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300494","19.195","0.002","17.8704","0.0019","17.7886","0.0019","90","","106.791","0.006","90","","5841.8","1.1","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 F6 Mo O6 P4 S3 -","- C14 H32 F6 Mo O6 P4 S3 -","- C112 H256 F48 Mo8 O48 P32 S24 -","8","2","","Steven J. Smith; C. Matthew Whaley; Thomas B. Rauchfuss; Wilson, Scott R.","","Inorganic Chemistry","2006","","","","","10.1021/ic051443c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4300495","8.801","0.002","12.854","0.003","9.771","0.003","90","","93.393","0.005","90","","1103.4","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Mo P4 Se2 -","- C12.006 H32.016 Mo1.0005 P4.002 Se2.001 -","- C24.012 H64.032 Mo2.001 P8.004 Se4.002 -","2","0.5","","Steven J. Smith; C. Matthew Whaley; Thomas B. Rauchfuss; Wilson, Scott R.","","Inorganic Chemistry","2006","","","","","10.1021/ic051443c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4300496","12.664","0.003","3.8816","0.001","27.329","0.007","90","","94.377","0.006","90","","1339.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu In17 Pb8 S34 -","- Cu In17 Pb8 S34 -","- Cu In17 Pb8 S34 -","1","0.25","","Lee, Chi-Shen; Kuan-Chen, Wang","","Inorganic Chemistry","2006","","","","","10.1021/ic051447h","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300497","12.657","0.003","3.881","0.0008","27.459","0.006","90","","94.36","0.03","90","","1344.9","0.5","571","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ag In17 Pb8 S34 -","- Ag In17 Pb8 S34 -","- Ag In17 Pb8 S34 -","1","0.25","","Lee, Chi-Shen; Kuan-Chen, Wang","","Inorganic Chemistry","2006","","","","","10.1021/ic051447h","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300498","12.701","0.003","3.8794","0.0009","27.359","0.006","90","","94.347","0.004","90","","1344.2","0.5","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Au In17 Pb8 S34 -","- Au In17 Pb8 S34 -","- Au In17 Pb8 S34 -","1","0.25","","Lee, Chi-Shen; Kuan-Chen, Wang","","Inorganic Chemistry","2006","","","","","10.1021/ic051447h","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300499","12.5687","0.0002","13.3575","0.0002","17.8265","0.0002","81.9198","0.0007","70.6435","0.0007","71.8461","0.0005","2680.78","0.07","150","","","","","","","","","","","8","P -1","-P 1","2","","","","- C34 H60 Cu2 F12 N16 O4 P2 S2 -","- C34 H60 Cu2 F12 N16 O4 P2 S2 -","- C68 H120 Cu4 F24 N32 O8 P4 S4 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0514492","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300500","8.419","0.0003","9.3588","0.0003","12.3341","0.0005","79.2579","0.0013","89.7935","0.0014","82.8946","0.0015","947.27","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 Cl2 Cu N6 O8 S -","- C11 H16 Cl2 Cu N6 O8 S -","- C22 H32 Cl4 Cu2 N12 O16 S2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0514492","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300501","9.0484","0.0007","11.5628","0.0009","15.6099","0.0013","76.977","0.002","78.666","0.001","70.355","0.002","1485.5","0.2","130","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H36 B Cu F4 N9 O5 S -","- C21 H36 B Cu F4 N9 O5 S -","- C42 H72 B2 Cu2 F8 N18 O10 S2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0514492","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300502","7.4936","0.0003","8.4255","0.0003","13.4195","0.0004","82.3634","0.0014","86.8866","0.0014","87.1226","0.0016","837.73","0.05","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H22 N6 O2 S Zn -","- C13 H22 N6 O2 S Zn -","- C26 H44 N12 O4 S2 Zn2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0514492","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300503","18.275","0.002","15.2381","0.0018","21.291","0.003","90","","96.189","0.002","90","","5894.5","1.2","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H116 Cl4 Cu8 N16 O33 -","- C88 H116 Cl4 Cu8 N16 O33 -","- C176 H232 Cl8 Cu16 N32 O66 -","2","0.5","","Alok ranjan paital; Prasant Kumar Nanda; Sunirban Das; Guillem Debashis Ray","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300504","9.1072","0.0002","23.9835","0.0007","18.08","0.0005","90","","97.563","0.002","90","","3914.72","0.18","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H48.17 Cl Cu N8 O13.92 -","- C26 H48.16 Cl Cu N8 O13.9 -","- C104 H192.64 Cl4 Cu4 N32 O55.6 -","4","1","","Diaz, Pilar; Benet-Buchholz, Jordi; Vilar, Ramon; White, Andrew J.P.","Anion influence on the structures of a series of copper(II) metal-organic frameworks","Inorganic Chemistry","2006","","","","","10.1021/ic051457i","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300505","9.2047","0.0005","18.3674","0.001","10.8366","0.0007","90","","93.798","0.005","90","","1828.08","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Cu N4 O5 -","- C17 H20 Cu N4 O5 -","- C68 H80 Cu4 N16 O20 -","4","1","","Diaz, Pilar; Benet-Buchholz, Jordi; Vilar, Ramon; White, Andrew J.P.","Anion influence on the structures of a series of copper(II) metal-organic frameworks","Inorganic Chemistry","2006","","","","","10.1021/ic051457i","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300506","13.6925","0.0007","47.613","0.002","14.311","0.0009","90","","105.693","0.005","90","","8982.2","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Cu N8 O10 S -","- C26 H32 Cu N8 O10 S -","- C312 H384 Cu12 N96 O120 S12 -","12","1.5","","Diaz, Pilar; Benet-Buchholz, Jordi; Vilar, Ramon; White, Andrew J.P.","Anion influence on the structures of a series of copper(II) metal-organic frameworks","Inorganic Chemistry","2006","","","","","10.1021/ic051457i","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300507","11.0549","0.0006","21.4021","0.0009","15.442","0.001","90","","105.118","0.005","90","","3527.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl2 Cu N8 O9 -","- C26 H28 Cl2 Cu N8 O2 -","- C104 H112 Cl8 Cu4 N32 O8 -","4","1","","Diaz, Pilar; Benet-Buchholz, Jordi; Vilar, Ramon; White, Andrew J.P.","Anion influence on the structures of a series of copper(II) metal-organic frameworks","Inorganic Chemistry","2006","","","","","10.1021/ic051457i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300508","13.751","0.003","23.133","0.005","27.455","0.006","90","","90","","90","","8734","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C108 H88 Cl2 Fe2 N2 O8 -","- C108 H88 Cl2 Fe2 N2 O8 -","- C432 H352 Cl8 Fe8 N8 O32 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051471v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300509","14.516","0.003","17.236","0.004","20.031","0.005","115.14","0.003","91.959","0.004","93.572","0.004","4517.8","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H100 Fe2 N2 O9 -","- C112 H100 Fe2 N2 O9 -","- C224 H200 Fe4 N4 O18 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051471v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300510","13.774","0.003","23.088","0.005","14.488","0.003","90","","107.498","0.004","90","","4394.4","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H94 Fe2 N2 O8 -","- C110 H94 Fe2 N2 O8 -","- C220 H188 Fe4 N4 O16 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051471v","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300511","15.219","0.002","10.8186","0.0016","29.434","0.004","90","","117.387","0.006","90","","4303.1","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C101 H92 Cl5 Fe2 N2 O8 -","- C101 H92 Cl5 Fe2 N2 O8 -","- C202 H184 Cl10 Fe4 N4 O16 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051471v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300512","12.311","0.003","13.322","0.003","14.608","0.003","115.544","0.003","108.042","0.004","98.087","0.004","1947.5","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H86 Fe2 N2 O8 -","- C98 H86 Fe2 N2 O8 -","- C98 H86 Fe2 N2 O8 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051471v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300513","10.775","0.003","24.89","0.008","15.118","0.005","90","","106.178","0.006","90","","3894","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H86 Fe2 N2 O8 -","- C98 H86 Fe2 N2 O8 -","- C196 H172 Fe4 N4 O16 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051471v","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300514","12.2612","0.0016","13.3582","0.0017","23.981","0.003","84.355","0.002","86.811","0.002","67.916","0.002","3621.2","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H62 F8 Fe2 N2 O8 -","- C90 H62 F8 Fe2 N2 O8 -","- C180 H124 F16 Fe4 N4 O16 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051471v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300515","13.6676","0.0014","14.0155","0.0014","21.278","0.002","80.799","0.002","89.079","0.002","86.533","0.002","4016","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C95 H62 Cl2 F8 Fe2 N O8 P -","- C95 H58 Cl2 F8 Fe2 N O8 P -","- C190 H116 Cl4 F16 Fe4 N2 O16 P2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051476s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300516","13.0032","0.0006","26.3878","0.0012","24.6935","0.0012","90","","95.844","0.001","90","","8428.9","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H93 Cl3 Fe2 N O8 S -","- C98.015 H93.036 Cl3 Fe2 N O8 S -","- C392.06 H372.144 Cl12 Fe8 N4 O32 S4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051476s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300517","12.3481","0.0013","13.2842","0.0013","14.8486","0.0016","107.009","0.002","103.26","0.002","95.274","0.003","2233.7","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H92 Cl2 Fe2 N2 O10 S2 -","- C108 H92 Cl2 Fe2 N2 O10 S2 -","- C108 H92 Cl2 Fe2 N2 O10 S2 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051476s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300518","18.821","0.019","12.262","0.012","21.18","0.02","90","","115.123","0.016","90","","4425","8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 Fe N2 O4 S2 -","- C52 H44 Fe N2 O4 S2 -","- C208 H176 Fe4 N8 O16 S8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051476s","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300519","14.508","0.002","15.852","0.003","15.904","0.003","78.407","0.003","77.951","0.003","63.832","0.003","3185.5","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C122 H110 Cl12 Fe6 N2 O18 P2 -","- C122 H108 Cl12 Fe6 N2 O18 P2 -","- C122 H108 Cl12 Fe6 N2 O18 P2 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051476s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300520","12.9063","0.0017","14.1811","0.0018","24.99","0.003","78.235","0.003","86.11","0.002","86.837","0.003","4463.4","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C96 H68 Cl6 F8 Fe2 N O12 P -","- C96 H68 Cl6 F8 Fe2 N O12 P -","- C192 H136 Cl12 F16 Fe4 N2 O24 P2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051476s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300521","14.9178","0.0002","11.6683","0.0002","21.4158","0.0003","90","","109.906","0.0008","90","","3505.03","0.09","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cu2 F12 N8 P2 -","- C28 H28 Cu2 F12 N8 P2 -","- C112 H112 Cu8 F48 N32 P8 -","4","1","","Habermehl, Nicolle C.; Angus, Patricia M.; Kilah, Nathan L.; Norén, Lasse; Rae, A. David; Willis, Anthony C.; S. Bruce Wild","Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate Containing Achiral Bis(Bidentate) Schiff-Bases","Inorganic Chemistry","2006","","","","","10.1021/ic051478c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300522","17.9164","0.0002","10.4781","0.0001","26.2098","0.0002","90","","106.813","0.0005","90","","4710.04","0.08","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cu2 F12 N8 P2 -","- C40 H52 Cu2 F12 N8 P2 -","- C160 H208 Cu8 F48 N32 P8 -","4","1","","Habermehl, Nicolle C.; Angus, Patricia M.; Kilah, Nathan L.; Norén, Lasse; Rae, A. David; Willis, Anthony C.; S. Bruce Wild","Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate Containing Achiral Bis(Bidentate) Schiff-Bases","Inorganic Chemistry","2006","","","","","10.1021/ic051478c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300523","11.2078","0.0003","14.3947","0.0005","16.2084","0.0006","100.777","0.002","92.512","0.002","108.916","0.002","2414.7","0.14","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H55 Ag2 F12 N9 P2 -","- C42 H55 Ag2 F12 N9 P2 -","- C84 H110 Ag4 F24 N18 P4 -","2","1","","Habermehl, Nicolle C.; Angus, Patricia M.; Kilah, Nathan L.; Norén, Lasse; Rae, A. David; Willis, Anthony C.; S. Bruce Wild","Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate Containing Achiral Bis(Bidentate) Schiff-Bases","Inorganic Chemistry","2006","","","","","10.1021/ic051478c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300524","12.3419","0.0002","25.9815","0.0004","12.4508","0.0002","90","","111.332","0.0007","90","","3718.94","0.1","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C77 H78 As2 Cl2 Cu2 N8 O12 -","- C77 H78 As2 Cl2 Cu2 N8 O12 -","- C154 H156 As4 Cl4 Cu4 N16 O24 -","2","1","","Habermehl, Nicolle C.; Angus, Patricia M.; Kilah, Nathan L.; Norén, Lasse; Rae, A. David; Willis, Anthony C.; S. Bruce Wild","Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate Containing Achiral Bis(Bidentate) Schiff-Bases","Inorganic Chemistry","2006","","","","","10.1021/ic051478c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300525","10.63","0.0008","15.36","0.001","16.52","0.0012","90","","101.6","0.006","90","","2642.2","0.3","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cerium-tris-(dipyridylamide)","","","- C60 H48 Ce2 N18 -","- C60 H48 Ce2 N18 -","- C120 H96 Ce4 N36 -","2","0.5","","K. Muller-Buschbaum, Catharina C. Quitmann","Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300526","10.6767","0.0014","15.3285","0.0019","16.444","0.003","90","","101.297","0.012","90","","2639","0.6","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Neodymium-tris-(dipyridylamide)","","","- C60 H48 N18 Nd2 -","- C60 H48 N18 Nd2 -","- C120 H96 N36 Nd4 -","2","0.5","","K. Muller-Buschbaum, Catharina C. Quitmann","Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300527","10.7031","0.0013","15.2735","0.0015","16.3572","0.0018","90","","101.232","0.009","90","","2622.8","0.5","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Samarium-tris-(dipyridylamide)","","","- C60 H48 N18 Sm2 -","- C60 H48 N18 Sm2 -","- C120 H96 N36 Sm4 -","2","0.5","","K. Muller-Buschbaum, Catharina C. Quitmann","Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300528","10.735","0.002","15.175","0.003","16.213","0.003","90","","100.85","0.03","90","","2594.1","0.9","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Holmium-tris-(dipyridylamide)","","","- C60 H48 Ho2 N18 -","- C60 H48 Ho2 N18 -","- C120 H96 Ho4 N36 -","2","0.5","","K. Muller-Buschbaum, Catharina C. Quitmann","Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300529","10.742","0.002","15.133","0.003","16.181","0.003","90","","100.819","0.018","90","","2583.8","0.9","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Erbium-tris-(dipyridylamide)","","","- C60 H48 Er2 N18 -","- C60 H48 Er2 N18 -","- C120 H96 Er4 N36 -","2","0.5","","K. Muller-Buschbaum, Catharina C. Quitmann","Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300530","10.7385","0.0008","15.142","0.0013","16.1781","0.0014","90","","100.736","0.007","90","","2584.6","0.4","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Thulium-tris-(dipyridylamide)","","","- C60 H48 N18 Tm2 -","- C60 H48 N18 Tm2 -","- C120 H96 N36 Tm4 -","2","0.5","","K. Muller-Buschbaum, Catharina C. Quitmann","Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300531","10.7068","0.0012","15.2989","0.0019","16.4505","0.0018","90","0.01","103.804","0.009","90","0.01","2616.8","0.5","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ytterbium-tris-(dipyridylamide)","","","- C60 H48 N18 Yb2 -","- C60 H48 N18 Yb2 -","- C120 H96 N36 Yb4 -","2","0.5","","K. Muller-Buschbaum, Catharina C. Quitmann","Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300533","9.392","0.004","10.915","0.004","20.692","0.008","84.953","0.006","88.306","0.006","83.028","0.006","2096.9","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H29 F6 N11 O7 Ru S2 -","- C37 H27 F6 N11 O7 Ru S2 -","- C74 H54 F12 N22 O14 Ru2 S4 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0514905","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300534","14.294","0.003","17.306","0.004","16.038","0.003","90","","101.22","0.03","90","","3891.5","1.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34.44 H26 F10.68 N10 O1.33 P1.56 Ru S0.44 -","- C34.442 H26 F10.674 N10 O1.326 P1.558 Ru S0.442 -","- C137.768 H104 F42.696 N40 O5.304 P6.232 Ru4 S1.768 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0514905","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300535","8.552","0.0004","21.0605","0.001","21.1224","0.0009","90","","92.827","0.002","90","","3799.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Cl4 F6 N10 P Ru -","- C35 H27 Cl4 F6 N10 P Ru -","- C140 H108 Cl16 F24 N40 P4 Ru4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0514905","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300536","5.173","0.001","5.754","0.001","7.927","0.001","90","","99","0.02","90","","233.05","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H2 B F4 N -","- C2 H2 B F4 N -","- C4 H4 B2 F8 N2 -","2","1","","Halfen, Jason; Phillips, James","Gas-Solid Structure Differences in Haloacetonitrile-BF3...","Inorganic Chemistry","2006","","","","","10.1021/ic051491x","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300537","7.499","0.001","7.682","0.002","9.275","0.001","103.66","0.01","90.39","0.01","90.39","0.01","519.16","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H2 B Cl F3 N -","- C2 H2 B Cl F3 N -","- C8 H8 B4 Cl4 F12 N4 -","4","2","","Halfen, Jason; Phillips, James","Gas-Solid Structure Differences in Haloacetonitrile-BF3...","Inorganic Chemistry","2006","","","","","10.1021/ic051491x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300538","9.947","0.002","8.24","0.001","7.671","0.004","90","","108.96","0.02","90","","594.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 B F3 I N -","- C2 H2 B F3 I N -","- C8 H8 B4 F12 I4 N4 -","4","1","","Halfen, Jason; Phillips, James","Gas-Solid Structure Differences in Haloacetonitrile-BF3...","Inorganic Chemistry","2006","","","","","10.1021/ic051491x","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300539","15.189","0.004","14.488","0.004","21.159","0.004","90","","100.936","0.018","90","","4571","2","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H63 Mo N7 O5 S4 -","- C38 H63 Mo N7 O5 S4 -","- C152 H252 Mo4 N28 O20 S16 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051493h","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300540","26.071","0.006","14.944","0.002","35.217","0.008","90","","93.81","0.02","90","","13691","5","296","","296","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C156 H132 Mo N12 O5 P2 S4 -","- C156 H132 Mo N12 O5 P2 S4 -","- C624 H528 Mo4 N48 O20 P8 S16 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051493h","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300541","14.0349","0.001","18.0306","0.0014","19.9673","0.0015","90","","107.505","0.001","90","","4818.9","0.6","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C106 H76 Au4 Cl4 Cu2 F12 O2 P6 -","- C106 H76 Au4 Cl4 Cu2 F12 O2 P6 -","- C212 H152 Au8 Cl8 Cu4 F24 O4 P12 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051503e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300542","10.144","0.002","23.902","0.005","8.331","0.0017","90","","105.81","0.03","90","","1943.5","0.7","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cu N2 O4 -","- C22 H20 Cu N2 O4 -","- C88 H80 Cu4 N8 O16 -","4","1","","Heinze, Katja; Reinhart, Anja","Linking Heteroleptic Cu(II) Dipyrromethene Complexes via Hydrogen Bonds, Coordinative Bonds and Covalent Bonds","Inorganic Chemistry","2006","","","","","10.1021/ic0515047","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300543","9.456","0.0019","36.66","0.007","6.897","0.0014","90","","114.51","0.03","90","","2175.5","0.8","200","","200","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H25 Cu N3 O3 -","- C24 H25 Cu N3 O3 -","- C96 H100 Cu4 N12 O12 -","4","1","","Heinze, Katja; Reinhart, Anja","Linking Heteroleptic Cu(II) Dipyrromethene Complexes via Hydrogen Bonds, Coordinative Bonds and Covalent Bonds","Inorganic Chemistry","2006","","","","","10.1021/ic0515047","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300544","13.917","0.003","8.955","0.0018","14.856","0.003","90","","93.21","0.03","90","","1848.5","0.6","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cu N3 O4 -","- C20 H17 Cu N3 O4 -","- C80 H68 Cu4 N12 O16 -","4","1","","Heinze, Katja; Reinhart, Anja","Linking Heteroleptic Cu(II) Dipyrromethene Complexes via Hydrogen Bonds, Coordinative Bonds and Covalent Bonds","Inorganic Chemistry","2006","","","","","10.1021/ic0515047","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300545","9.7135","0.0017","10.5792","0.0019","17.429","0.002","76.411","0.013","82.953","0.013","64.964","0.014","1576.8","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H34 Au2 Cu2 N12 O2 -","- C20 H34 Au2 Cu2 N12 O2 -","- C40 H68 Au4 Cu4 N24 O4 -","2","1","","Katz, Michael J.; Shorrock, Carolyn J.; Batchelor, Raymond J.; Leznoff, Daniel B.","[Au(CN)4]- as Both an Intramolecular and Intermolecular Bidentate Ligand with [(tmeda)Cu(?-OH)] Dimers: From Antiferro- to Ferromagnetic Coupling in Polymorphs","Inorganic Chemistry","2006","","","","","10.1021/ic0515094","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300546","8.465","0.002","10.274","0.002","10.468","0.002","64.35","0.02","76.27","0.02","79.26","0.02","793.6","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H34 Au2 Cu2 N12 O2 -","- C20 H34 Au2 Cu2 N12 O2 -","- C20 H34 Au2 Cu2 N12 O2 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0515094","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300547","8.4529","0.0013","15.7403","0.0016","11.3069","0.0011","90","","95.03","0.01","90","","1498.6","0.3","293","","293","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C17 H38 Au Cl Cu2 N8 O7 -","- C17 H38 Au Cl Cu2 N8 O7 -","- C34 H76 Au2 Cl2 Cu4 N16 O14 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0515094","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4300548","5.0448","0.0011","6.4597","0.0014","15.589","0.003","90","","90","","90","","508.01","0.19","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C2 N2 Se2 -","- C2 N2 Se2 -","- C8 N8 Se8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0515103","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4300549","10.054","0.002","13.332","0.003","4.454","0.001","90","","90","","90","","597","0.2","125","2","125","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C2 N2 Se3 -","- C2 N2 Se3 -","- C8 N8 Se12 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0515103","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300550","20.91","0.012","19.829","0.013","15.93","0.009","90","","90","","90","","6605","7","110","2","110","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C68 H84 B2 F8 N6 Pt2 S2 -","- C34 H42 B F4 N3 Pt S -","- C272 H336 B8 F32 N24 Pt8 S8 -","8","2","","Wei-Hsuan Chen; Eric W. Reinheimer; Kim R. Dunbar; Mohammed A. Omary","","Inorganic Chemistry","2006","","","","","10.1021/ic051518c","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300551","13.84","0.03","23.17","0.04","23.38","0.04","90","","90","","90","","7499","22","110","2","393","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H44 N7 O3 Pt -","- C39 H42 N7 O2 Pt -","- C312 H336 N56 O16 Pt8 -","8","1","","Wei-Hsuan Chen; Eric W. Reinheimer; Kim R. Dunbar; Mohammed A. Omary","","Inorganic Chemistry","2006","","","","","10.1021/ic051518c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300552","5.2485","0.0006","8.6377","0.001","8.9147","0.001","83.493","0.002","83.698","0.002","86.921","0.002","398.77","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F12 O8 Ru2 -","- C8 F12 O8 Ru2 -","- C8 F12 O8 Ru2 -","1","0.5","","Dikarev, Evgeny V.; Filatov, Alexander S.; Clerac, Rodolphe; Petrukhina, Marina A.","Unligated Diruthenium(II,II) Tetra(trifluoroacetate): The First X-Ray Structural Study, Thermal Compressibility, Lewis Acidity and Magnetism","Inorganic Chemistry","2006","45","2","744","751","10.1021/ic051537m","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300553","5.2447","0.0005","8.6097","0.0008","9.0518","0.0008","82.474","0.001","84.312","0.001","87.001","0.001","402.9","0.06","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F12 O8 Ru2 -","- C8 F12 O8 Ru2 -","- C8 F12 O8 Ru2 -","1","0.5","","Dikarev, Evgeny V.; Filatov, Alexander S.; Clerac, Rodolphe; Petrukhina, Marina A.","Unligated Diruthenium(II,II) Tetra(trifluoroacetate): The First X-Ray Structural Study, Thermal Compressibility, Lewis Acidity and Magnetism","Inorganic Chemistry","2006","45","2","744","751","10.1021/ic051537m","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300554","5.2457","0.0005","8.6067","0.0008","9.1343","0.0008","81.937","0.001","84.631","0.001","87.031","0.001","406.22","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F12 O8 Ru2 -","- C8 F12 O8 Ru2 -","- C8 F12 O8 Ru2 -","1","0.5","","Dikarev, Evgeny V.; Filatov, Alexander S.; Clerac, Rodolphe; Petrukhina, Marina A.","Unligated Diruthenium(II,II) Tetra(trifluoroacetate): The First X-Ray Structural Study, Thermal Compressibility, Lewis Acidity and Magnetism","Inorganic Chemistry","2006","45","2","744","751","10.1021/ic051537m","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300555","5.2505","0.0006","8.6127","0.001","9.2508","0.001","81.203","0.002","85.057","0.002","87.036","0.002","411.56","0.08","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F12 O8 Ru2 -","- C8 F11.94 O8 Ru2 -","- C8 F11.94 O8 Ru2 -","1","0.5","","Dikarev, Evgeny V.; Filatov, Alexander S.; Clerac, Rodolphe; Petrukhina, Marina A.","Unligated Diruthenium(II,II) Tetra(trifluoroacetate): The First X-Ray Structural Study, Thermal Compressibility, Lewis Acidity and Magnetism","Inorganic Chemistry","2006","45","2","744","751","10.1021/ic051537m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277859","2022-09-15","00:05:25",""
"4300556","5.2519","0.0005","8.6122","0.0008","9.3269","0.0009","80.606","0.001","85.337","0.001","86.985","0.002","414.49","0.07","243","2","243","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F12 O8 Ru2 -","- C8 F11.94 O8 Ru2 -","- C8 F11.94 O8 Ru2 -","1","0.5","","Dikarev, Evgeny V.; Filatov, Alexander S.; Clerac, Rodolphe; Petrukhina, Marina A.","Unligated Diruthenium(II,II) Tetra(trifluoroacetate): The First X-Ray Structural Study, Thermal Compressibility, Lewis Acidity and Magnetism","Inorganic Chemistry","2006","45","2","744","751","10.1021/ic051537m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277859","2022-09-15","00:05:25",""
"4300557","8.9689","0.0006","9.1449","0.0006","10.8909","0.0007","114.557","0.001","104.483","0.001","99.843","0.001","747.35","0.08","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F12 O8 Ru2 -","- C24 H16 F12 O8 Ru2 -","- C24 H16 F12 O8 Ru2 -","1","0.5","","Dikarev, Evgeny V.; Filatov, Alexander S.; Clerac, Rodolphe; Petrukhina, Marina A.","Unligated Diruthenium(II,II) Tetra(trifluoroacetate): The First X-Ray Structural Study, Thermal Compressibility, Lewis Acidity and Magnetism","Inorganic Chemistry","2006","45","2","744","751","10.1021/ic051537m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133718","2020-10-21","18:00:00",""
"4300558","8.6643","0.0005","9.0576","0.0006","11.1165","0.0007","90","","100.779","0.001","90","","857.01","0.09","243","2","243","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H5 F9 O8 Ru2 -","- C9 H5 F8.91 O8 Ru2 -","- C18 H10 F17.82 O16 Ru4 -","2","0.5","","Dikarev, Evgeny V.; Filatov, Alexander S.; Clerac, Rodolphe; Petrukhina, Marina A.","Unligated Diruthenium(II,II) Tetra(trifluoroacetate): The First X-Ray Structural Study, Thermal Compressibility, Lewis Acidity and Magnetism","Inorganic Chemistry","2006","45","2","744","751","10.1021/ic051537m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300559","8.5253","0.0005","8.9951","0.0005","9.7803","0.0005","67.594","0.001","88.546","0.001","77.392","0.001","675.28","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 F12 O10 Ru2 -","- C16 H20 F12 O10 Ru2 -","- C16 H20 F12 O10 Ru2 -","1","0.5","","Dikarev, Evgeny V.; Filatov, Alexander S.; Clerac, Rodolphe; Petrukhina, Marina A.","Unligated Diruthenium(II,II) Tetra(trifluoroacetate): The First X-Ray Structural Study, Thermal Compressibility, Lewis Acidity and Magnetism","Inorganic Chemistry","2006","45","2","744","751","10.1021/ic051537m","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300560","8.7288","0.0006","8.9709","0.0007","15.1089","0.0011","90","","96.752","0.001","90","","1174.9","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F12 O10 Ru2 -","- C14 H12 F12 O10 Ru2 -","- C28 H24 F24 O20 Ru4 -","2","0.5","","Dikarev, Evgeny V.; Filatov, Alexander S.; Clerac, Rodolphe; Petrukhina, Marina A.","Unligated Diruthenium(II,II) Tetra(trifluoroacetate): The First X-Ray Structural Study, Thermal Compressibility, Lewis Acidity and Magnetism","Inorganic Chemistry","2006","45","2","744","751","10.1021/ic051537m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300561","15.588","0.006","9.973","0.004","19.202","0.007","90","","104.27","0.01","90","","2893","0.2","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N2 O Re S4 -","- C30 H23 N2 O Re S4 -","- C120 H92 N8 O4 Re4 S16 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051538e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4300562","38.475","0.015","38.475","0.015","8.837","0.004","90","","90","","90","","13082","9","298","","298","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C33 H29 N2 O4 Re S4 -","- C33 H26 N2 O4 Re S4 -","- C528 H416 N32 O64 Re16 S64 -","16","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051538e","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300563","13.3195","0.0008","16.6524","0.0009","18.3044","0.001","81.1006","0.001","87.0241","0.001","77.9296","0.001","3921.6","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H40 P2 Pt -","- C50 H40 P2 Pt -","- C200 H160 P8 Pt4 -","4","2","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051548f","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300564","13.2507","0.0007","16.5061","0.0009","20.4959","0.0011","90","","101.891","0.001","90","","4386.6","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H46 P2 Pt -","- C56 H46 P2 Pt -","- C224 H184 P8 Pt4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051548f","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300565","11.714","0.0008","15.2503","0.0011","23.7066","0.0017","90","","91.847","0.002","90","","4232.8","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H42 Cl2 P2 Pt -","- C51 H42 Cl2 P2 Pt -","- C204 H168 Cl8 P8 Pt4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051548f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300566","24.929","0.002","7.279","0.002","28.863","0.002","90","0.02","115.82","0.02","90","0.03","4714.6","1.4","153","2","153","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 H22 Cl N6 O4 Rh -","- C24 Cl N6 O4 Rh -","- C192 Cl8 N48 O32 Rh8 -","8","2","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0515498","","","","","","","0.1566","","","0.4335","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300567","6.9","0.0018","7.404","0.003","19.116","0.005","90","","90","","90","","976.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H4 Cd2 O7 -","- C9 H3 Cd2 O7 -","- C36 H12 Cd8 O28 -","4","1","","Wang, Lei; Shi, Zhan,; Yang, Ming; Li, Guanghua; Feng, Shouhua","A highly Stable Chiral Cadmium 1,2,4-benzenetricarboxylate: Synthesis, Structure, NLO and Fluorescence Properties","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300568","13.785","0.005","14.015","0.002","17.271","0.003","90","","90.58","0.02","90","","3336.5","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Co N10 O4 -","- C34 H26 Co N10 O3.995 -","- C136 H104 Co4 N40 O15.98 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051573l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300569","13.396","0.003","14.039","0.001","17.571","0.003","90","","90.4","0.02","90","","3304.4","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 N10 Ni O4 -","- C34 H26 N10 Ni O4 -","- C136 H104 N40 Ni4 O16 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051573l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300570","13.078","0.003","14.339","0.003","17.627","0.002","90","","92.12","0.01","90","","3303.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cu N10 O3 -","- C34 H26 Cu N10 O3 -","- C136 H104 Cu4 N40 O12 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051573l","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300571","11.734","0.005","11.75","0.004","14.67","0.005","71.84","0.03","76.68","0.04","64.87","0.03","1728.6","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H28 Cl2 Mn N8 O2 -","- C37 H28 Cl2 Mn N8 O2 -","- C74 H56 Cl4 Mn2 N16 O4 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051573l","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300572","11.353","0.004","11.751","0.006","14.698","0.009","71.89","0.05","77.62","0.05","66.64","0.04","1701.6","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H28 Cl2 N8 Ni O2 -","- C37 H28 Cl2 N8 Ni O2 -","- C74 H56 Cl4 N16 Ni2 O4 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051573l","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300573","10.597","0.001","27.45","0.003","11.651","0.002","90","","109.3","0.01","90","","3198.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cu N8 O2 -","- C36 H26 Cu N8 O2 -","- C144 H104 Cu4 N32 O8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051573l","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300574","11.477","0.007","11.716","0.004","14.741","0.004","71.88","0.03","77.58","0.04","65.83","0.03","1709.9","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H28 Cl2 N8 O2 Zn -","- C37 H28 Cl2 N8 O2 Zn -","- C74 H56 Cl4 N16 O4 Zn2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051573l","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300575","8.047","0.003","11.785","0.003","13.952","0.004","90","","102.974","0.004","90","","1289.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B7 H5 O14 Rb2 -","- B7 H5 O14 Rb2 -","- B28 H20 O56 Rb8 -","4","1","","Zhi-Hong Liu; Lian-Qing Li; Wen-Juan Zhang","Two New Borates Containing the First Examples of Large Isolated Polyborate Anions: Chain [B7O9(OH)5]2- and Ring [B14O20(OH)6]4-","Inorganic Chemistry","2006","45","","1430","1432","10.1021/ic051580+","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300576","9.435","0.006","8.752","0.006","19.599","0.012","90","","92.263","0.011","90","","1617.1","1.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H36 B14 N6 O26 -","- C8 H36 B14 N6 O26 -","- C16 H72 B28 N12 O52 -","2","0.5","","Zhi-Hong Liu; Lian-Qing Li; Wen-Juan Zhang","Two New Borates Containing the First Examples of Large Isolated Polyborate Anions: Chain [B7O9(OH)5]2- and Ring [B14O20(OH)6]4-","Inorganic Chemistry","2006","45","","1430","1432","10.1021/ic051580+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300577","9.96","0.002","11.612","0.002","12.478","0.003","66.605","0.004","72.437","0.004","78.481","0.004","1257.5","0.4","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C51 H58 Cl Er N3 P3 Si2 -","- C51 H58 Cl Er N3 P3 Si2 -","- C51 H58 Cl Er N3 P3 Si2 -","1","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","203900","2020-10-21","18:00:00",""
"4300578","9.9874","0.0004","11.6417","0.0005","12.5038","0.0005","66.475","0.003","72.14","0.003","78.311","0.003","1263.38","0.09","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C51 H58 Cl N3 P3 Si2 Yb -","- C51 H58 Cl N3 P3 Si2 Yb -","- C51 H58 Cl N3 P3 Si2 Yb -","1","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","203901","2020-10-21","18:00:00",""
"4300579","9.978","0.003","11.624","0.003","12.495","0.004","66.644","0.005","72.282","0.006","78.429","0.006","1262","0.6","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C51 H58 Cl N3 P3 Si2 Yb -","- C51 H58 Cl N3 P3 Si2 Yb -","- C51 H58 Cl N3 P3 Si2 Yb -","1","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","203900","2020-10-21","18:00:00",""
"4300580","18.843","0.005","13.206","0.004","20.044","0.006","90","","90","","90","","4987","2","173","2","173","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C43 H63 Cl3 Li N2 O3 P2 Si2 Yb -","- C43 H55 Cl3 Li N2 O3 P2 Si2 Yb -","- C172 H220 Cl12 Li4 N8 O12 P8 Si8 Yb4 -","4","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","203900","2020-10-21","18:00:00",""
"4300581","11.71","0.004","13.453","0.004","17.967","0.006","90","","90","","90","","2830.3","1.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 N O P Y -","- C32 H35 N O P Y -","- C128 H140 N4 O4 P4 Y4 -","4","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","203900","2020-10-21","18:00:00",""
"4300582","11.714","0.003","13.445","0.003","17.967","0.004","90","","90","","90","","2829.9","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 N O P Y -","- C32 H35 N O P Y -","- C128 H140 N4 O4 P4 Y4 -","4","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","203900","2020-10-21","18:00:00",""
"4300583","11.6787","0.0018","13.3947","0.0019","17.92","0.003","90","","90","","90","","2803.3","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Er N O P -","- C32 H35 Er N O P -","- C128 H140 Er4 N4 O4 P4 -","4","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","203900","2020-10-21","18:00:00",""
"4300584","11.7275","0.0018","13.378","0.002","17.88","0.003","90","","90","","90","","2805.1","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 N O P Yb -","- C32 H35 N O P Yb -","- C128 H140 N4 O4 P4 Yb4 -","4","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300585","18.573","0.004","13.7036","0.0018","16.916","0.004","90","","102.8","0.02","90","","4198.4","1.5","299","2","299","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cl2 F12 N6 O P2 Ru -","- C34 H30 Cl2 F12 N6 O P2 Ru -","- C136 H120 Cl8 F48 N24 O4 P8 Ru4 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300586","14.2588","0.0003","21.5216","0.0009","28.1859","0.0008","90","","90","","90","","8649.5","0.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cl4 F12 N6 P2 Ru -","- C36 H34 Cl4 F12 N6 P2 Ru -","- C288 H272 Cl32 F96 N48 P16 Ru8 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051590a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300587","9.052","0.006","22.714","0.004","9.89","0.006","90","","105.81","0.06","90","","1956.5","1.8","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cl2 N2 Ru -","- C21 H25 Cl2 N2 Ru -","- C84 H100 Cl8 N8 Ru4 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300588","8.3919","0.0016","11.6702","0.0014","13.5049","0.0012","80.353","0.01","82.684","0.009","72.537","0.01","1239.6","0.3","263","1","263","1","","","","","","","","8","P -1","-P 1","2","","","","- C22 H26 Cl F6 N2 O P Ru -","- C22 H26 Cl F6 N2 O P Ru -","- C44 H52 Cl2 F12 N4 O2 P2 Ru2 -","2","1","","Larry R. Falvello","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300589","6.2037","0.0001","19.295","0.0003","6.32338","0.0001","90","","90","","90","","756.91","0.02","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 F2 S3 Sn -","- Ba8 F8 S12 Sn4 -","- Ba8 F8 S12 Sn4 -","","","","Kabbour, Houria; Cario, Laurent; Danot, Michel; Meerschaut, Alain","Design of a new family of inorganic compounds Ae2F2SnX3 (Ae= Sr, Ba; X = S, Se) using rock salt and fluorite 2D building blocks.","Inorganic Chemistry","2006","","","","","10.1021/ic051592v","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300590","6.38442","0.00004","19.75793","0.00014","6.44925","0.00004","90","","90","","90","","813.527","0.009","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 F2 Se3 Sn -","- Ba8 F8 Se12 Sn4 -","- Ba8 F8 Se12 Sn4 -","","","","Kabbour, Houria; Cario, Laurent; Danot, Michel; Meerschaut, Alain","Design of a new family of inorganic compounds Ae2F2SnX3 (Ae= Sr, Ba; X = S, Se","Inorganic Chemistry","2006","","","","","10.1021/ic051592v","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300591","6.10779","0.0001","19.45339","0.00015","6.10511","0.00011","90","","90","","90","","725.392","0.019","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F2 Se3 Sn Sr2 -","- F8 Se12 Sn4 Sr8 -","- F8 Se12 Sn4 Sr8 -","","","","Kabbour, Houria; Cario, Laurent; Danot, Michel; Meerschaut, Alain","Design of a new family of inorganic compounds Ae2F2SnX3 (Ae= Sr, Ba; X = S, Se","Inorganic Chemistry","2006","","","","","10.1021/ic051592v","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300592","5.1192","0.0005","8.0297","0.0008","14.459","0.001","82.664","0.002","87.786","0.002","74.965","0.002","569.29","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 O S2 -","- C11 H12 O S2 -","- C22 H24 O2 S4 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0515958","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4300593","10.506","0.002","12.334","0.002","31.934","0.005","90","","93.63","0.01","90","","4129.4","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H41 Cu O P2 S2 -","- C47 H41 Cu O P2 S2 -","- C188 H164 Cu4 O4 P8 S8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0515958","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300594","10.4843","0.0004","12.306","0.001","31.777","0.001","90","","93.063","0.001","90","","4094.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 Cl Cu O P2 S2 -","- C46 H38 Cl Cu O P2 S2 -","- C184 H152 Cl4 Cu4 O4 P8 S8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0515958","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300595","12.678","0.003","18.57","0.005","11.059","0.004","90","","98.54","0.02","90","","2575","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 Cu2 O2 P2 S4 -","- C58 H52 Cu2 O2 P2 S4 -","- C116 H104 Cu4 O4 P4 S8 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0515958","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300596","17.956","0.0001","6.895","0.0002","5.71","0.0005","90","","90","","90","","706.94","0.07","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H10 Cl2 Cu N2 -","- C3 H10 Cl2 Cu N2 -","- C12 H40 Cl8 Cu4 N8 -","4","1","","Zeleňák, Vladimír; Orendáčová, Alžbeta; Císařová, Ivana; Černák, Juraj; Kravchyna, Oxana. V.; Park, Ju-Hyun; Orendáč, Martin; Anders, Alexander. G.; Feher, Alexander; Meisel, Mark. W.","Magneto-Structural Correlations in Cu(tn)Cl2 (tn = 1,3-diaminopropane): Two-dime Spatially Anisotropic Triangular Magnet Formed by Hydrogen Bonds","Inorganic Chemistry","2006","","","","","10.1021/ic0516109","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300597","12.1","0.005","18.793","0.004","13.899","0.007","90","","103.19","0.02","90","","3077","2","293","2","293","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C24 H38 B F4 Fe N8 O4 S2 -","- C24 H34 B F4 Fe N8 O4 S2 -","- C96 H136 B4 F16 Fe4 N32 O16 S8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic060100r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300598","19.2143","0.0017","19.6115","0.0017","21.815","0.0019","107.808","0.002","99.706","0.002","98.856","0.002","7527.2","1.1","213","2","213","2","","","","","","","","6","P -1","-P 1","2","[Mo2(DAniF)2]3(diphenyltetrephthaloyldiamidate)3,3CH2Cl2","","","- C153 H138 Cl6 Mo6 N18 O18 -","- C153.001 H138.002 Cl6.002 Mo6 N18 O18 -","- C306.002 H276.004 Cl12.004 Mo12 N36 O36 -","2","1","","Cotton, F. Albert; Liu, Chun Y; Murillo, Carlos A.; Wang, Xiaoping","","Inorganic Chemistry","2006","","","","","10.1021/ic0521473","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300599","50.7","0.02","14.477","0.006","43.929","0.019","90","","120.067","0.015","90","","27905","20","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mo2(C15H15N2O2)2]4(C22H12N2O2F6)4","","","- C208 H168 F24 Mo8 N24 O24 -","- C208 H168 F24 Mo8 N24 O24 -","- C832 H672 F96 Mo32 N96 O96 -","4","0.5","","Cotton, F. Albert; Liu, Chun Y; Murillo, Carlos A.; Wang, Xiaoping","","Inorganic Chemistry","2006","","","","","10.1021/ic0521473","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300600","21.521","0.009","24.215","0.01","26.002","0.011","98.158","0.009","105.366","0.007","107.629","0.008","12083","9","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C212 H175 F24 Mo8 N24 O25 -","- C212 H175 F24 Mo8 N24 O25 -","- C424 H350 F48 Mo16 N48 O50 -","2","1","","Cotton, F. Albert; Liu, Chun Y; Murillo, Carlos A.; Wang, Xiaoping","","Inorganic Chemistry","2006","","","","","10.1021/ic0521473","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300601","11.819","0.003","12.073","0.004","12.685","0.002","99.5","0.02","108.49","0.02","111.33","0.02","1516.4","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H37 B F4 Fe N8 O3 S2 -","- C24 H34 B F4 Fe N8 O3 S2 -","- C48 H68 B2 F8 Fe2 N16 O6 S4 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic060100r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300602","9.172","0.0007","9.172","0.0007","16.403","0.004","90","","90","","120","","1195","0.3","293","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- K2.3 Mo12 S14 -","- K2.31 Mo12 S14 -","- K4.62 Mo24 S28 -","2","0.166667","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051622u","","","","","","","","","","","","","","","1.01","1.01","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300603","9.1476","0.0004","9.1476","0.0004","16.421","0.001","90","","90","","120","","1189.99","0.1","293","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- K2.12 Mo12 S14 -","- K2.121 Mo12 S14 -","- K4.242 Mo24 S28 -","2","0.166667","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051622u","","","","","","","","","","","","","","","1.07","1.07","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300604","9.199","0.0004","9.199","0.0004","16.426","0.004","90","","90","","120","","1203.8","0.3","293","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- K2.57 Mo12 S14 -","- K2.57 Mo12 S14 -","- K5.14 Mo24 S28 -","2","0.166667","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051622u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300605","9.0797","0.0009","9.0797","0.0009","16.412","0.006","90","","90","","120","","1171.8","0.5","293","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- K Mo12 S14 -","- K Mo12 S14 -","- K2 Mo24 S28 -","2","0.166667","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051622u","","","","","","","","","","","","","","","1.59","1.59","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300606","8.871","0.003","5.9325","0.0017","15.315","0.004","90","","96.948","0.004","90","","800.1","0.4","203","2","203","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Am I3 O9 -","- Am I3 O9 -","- Am4 I12 O36 -","4","1","","","Synthesis and characterization of a new f-element iodate architecture, β-Am(IO~3~)~3~","Inorganic Chemistry","2006","","","","","10.1021/ic0516414","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300607","9.6993","0.0005","9.8688","0.0005","10.213","0.0005","66.621","0.001","67.157","0.001","74.006","0.001","818.38","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H20 N8 O7 Pd -","- C9 H20 N8 O7 Pd -","- C18 H40 N16 O14 Pd2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051644g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300608","8.9086","0.0005","10.4677","0.0006","10.6379","0.0006","61.391","0.001","67.777","0.001","73.115","0.001","798.87","0.08","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H20 N8 O7 Pt -","- C9 H19 N8 O7 Pt -","- C18 H38 N16 O14 Pt2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051644g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300609","11.7799","0.0017","23.978","0.003","9.6858","0.0011","95.359","0.01","101.898","0.01","87.787","0.011","2664.8","0.6","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H48 N4 O2 P Rh -","- C71 H48 N4 O2 P Rh -","- C142 H96 N8 O4 P2 Rh2 -","2","1","","Kazumasa Kajiyama; Takeshi K. Miyamoto; Kaita Sawano","Novel Phosphoranido Complex of Rhodium(III) Tetraphenylporphyrin. Synthesis and Characterization","Inorganic Chemistry","2006","45","","502","504","10.1021/ic051655+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300610","12.546","0.003","13.577","0.004","20.051","0.005","97.25","0.02","96.51","0.02","101.04","0.02","3292.2","1.5","104","2","104","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H86 Ga4 O Pd3 Si2 -","- C68 H86 Ga4 O Pd3 Si2 -","- C136 H172 Ga8 O2 Pd6 Si4 -","2","1","","Beatrice Buchin; Christian Gemel; Thomas Cadenbach; Roland Fischer","Coordination Chemistry of Ga(C5Me4Ph)...","Inorganic Chemistry","2006","","","","","10.1021/ic051658m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300611","12.139","0.002","13.509","0.004","22.7429","0.0019","103.958","0.015","92.333","0.012","108.32","0.02","3408.3","1.2","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H85 Ga5 Pd2 -","- C75 H85 Ga5 Pd2 -","- C150 H170 Ga10 Pd4 -","2","1","","Beatrice Buchin; Christian Gemel; Thomas Cadenbach; Roland Fischer","Coordination Chemistry of Ga(C5Me4Ph)...","Inorganic Chemistry","2006","","","","","10.1021/ic051658m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300612","6.6871","0.0007","25.806","0.002","9.3785","0.0008","90","","92.135","0.003","90","","1617.3","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Ag F3 N4 O3 S -","- C11 H14 Ag F3 N4 O3 S -","- C44 H56 Ag4 F12 N16 O12 S4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051659e","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300613","9.3793","0.0007","10.577","0.0007","11.6814","0.0008","95.21","0.002","91.393","0.002","114.234","0.002","1049.94","0.13","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Ag2 F6 N4 O4 -","- C16 H16 Ag2 F6 N4 O4 -","- C32 H32 Ag4 F12 N8 O8 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051659e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300614","12.4623","0.0014","18.273","0.002","7.4106","0.0008","90","","92.986","0.004","90","","1685.2","0.3","273","2","273","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H16 Ag F3 N4 O2 -","- C14 H16 Ag F3 N4 O2 -","- C56 H64 Ag4 F12 N16 O8 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051659e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179044","2020-10-21","18:00:00",""
"4300615","7.9279","0.0004","10.0058","0.0004","11.5642","0.0005","98.964","0.002","108.141","0.002","95.402","0.002","851.08","0.07","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H16 Ag F3 N4 O3 S -","- C13 H16 Ag F3 N4 O3 S -","- C26 H32 Ag2 F6 N8 O6 S2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051659e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300616","10.2034","0.0003","13.3334","0.0004","12.3596","0.0004","90","","103.69","0.002","90","","1633.7","0.09","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Ag B F4 N4 -","- C12 H16 Ag B F4 N4 -","- C48 H64 Ag4 B4 F16 N16 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051659e","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300617","18.763","0.011","30.127","0.012","6.69","0.003","90","","91.968","0.017","90","","3779","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Ag2 B2 F8 N8 -","- C34 H38 Ag2 B1.997 F7.988 N8 -","- C136 H152 Ag8 B7.988 F31.952 N32 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051659e","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300618","8.7994","0.001","5.9388","0.0007","15.1567","0.0017","90","","96.833","0.002","90","","786.43","0.16","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Cf I3 O9 -","- Cf I3 O9 -","- Cf4 I12 O36 -","4","1","","Sykora, Richard E.; Assefa, Zerihun; Albrecht-Schmitt, Thomas E.; Haire, Richard G.","The first structural determination of a trivalent californium compound with oxygen coordination","Inorganic Chemistry","2006","45","2","475","477","10.1021/ic051667v","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300619","10.1422","0.0004","16.8789","0.0008","19.4637","0.0009","82.167","0.001","75.313","0.001","89.653","0.001","3191.6","0.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","MeLZn2(OiPr)2(Et2O) (compound 1(Et2O))","","","- C30 H50 N4 O4 Zn2 -","- C30 H50 N4 O4 Zn2 -","- C120 H200 N16 O16 Zn8 -","4","2","","Hlavinka, Mark L.; McNevin, Michael J.; Shoemaker, Richard; Hagadorn, John R.","Dizinc Alkoxides and Amides Supported by Binucleating Bis(amidoamine) Ligands","Inorganic Chemistry","2006","45","4","1815","1822","10.1021/ic051669f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210161","2020-10-21","18:00:00",""
"4300620","10.2097","0.0004","12.0692","0.0005","26.8683","0.001","90","","90.729","0.001","90","","3310.5","0.2","142","2","142","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","MeLZn2(OPh)2(toluene)0.5 (compound 2(toluene)0.5))","","","- C35.5 H40 N4 O3 Zn2 -","- C35.5 H40 N4 O3 Zn2 -","- C142 H160 N16 O12 Zn8 -","4","1","","Hlavinka, Mark L.; McNevin, Michael J.; Shoemaker, Richard; Hagadorn, John R.","Dizinc Alkoxides and Amides Supported by Binucleating Bis(amidoamine) Ligands","Inorganic Chemistry","2006","45","4","1815","1822","10.1021/ic051669f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210161","2020-10-21","18:00:00",""
"4300621","12.2365","0.0004","19.4966","0.0006","15.2313","0.0005","90","","92.667","0.001","90","","3629.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","iPrLZn2(OPh)2 (compound 4)","","","- C40 H52 N4 O3 Zn2 -","- C40 H52 N4 O3 Zn2 -","- C160 H208 N16 O12 Zn8 -","4","1","","Hlavinka, Mark L.; McNevin, Michael J.; Shoemaker, Richard; Hagadorn, John R.","Dizinc Alkoxides and Amides Supported by Binucleating Bis(amidoamine) Ligands","Inorganic Chemistry","2006","45","4","1815","1822","10.1021/ic051669f","","","","","","","","","","","","","","","","","","","","","has coordinates","210161","2020-10-21","18:00:00",""
"4300622","9.5997","0.001","15.5502","0.0017","22.37","0.002","89.489","0.002","79.351","0.002","87.199","0.003","3278","0.6","156","2","156","2","","","","","","","","7","P -1","-P 1","2","MeLZn2(OiPr)(OTf)(benzene) (compound 8(benzene))","","","- C30 H39 F3 N4 O5 S Zn2 -","- C30 H39 F3 N4 O5 S Zn2 -","- C120 H156 F12 N16 O20 S4 Zn8 -","4","2","","Hlavinka, Mark L.; McNevin, Michael J.; Shoemaker, Richard; Hagadorn, John R.","Dizinc Alkoxides and Amides Supported by Binucleating Bis(amidoamine) Ligands","Inorganic Chemistry","2006","45","4","1815","1822","10.1021/ic051669f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210161","2020-10-21","18:00:00",""
"4300623","18.5586","0.0005","18.7571","0.0006","33.5543","0.0009","90","","90","","90","","11680.4","0.6","154","2","154","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MeLZn2(Ph)(NHtBu) (compound 10)","","","- C30 H41 N5 O Zn2 -","- C30 H41 N5 O Zn2 -","- C480 H656 N80 O16 Zn32 -","16","2","","Hlavinka, Mark L.; McNevin, Michael J.; Shoemaker, Richard; Hagadorn, John R.","Dizinc Alkoxides and Amides Supported by Binucleating Bis(amidoamine) Ligands","Inorganic Chemistry","2006","45","4","1815","1822","10.1021/ic051669f","","","","","","","","","","","","","","","","","","","","","has coordinates","210161","2020-10-21","18:00:00",""
"4300624","20.4807","0.0009","15.6023","0.0007","20.6304","0.0009","90","","109.5","0.001","90","","6214.2","0.5","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","MeLZn2(NHtBu)2(toluene)0.25 (compound 11(toluene)0.25))","","","- C28 H46 N6 O Zn2 -","- C28 H46 N6 O Zn2 -","- C224 H368 N48 O8 Zn16 -","8","2","","Hlavinka, Mark L.; McNevin, Michael J.; Shoemaker, Richard; Hagadorn, John R.","Dizinc Alkoxides and Amides Supported by Binucleating Bis(amidoamine) Ligands","Inorganic Chemistry","2006","45","4","1815","1822","10.1021/ic051669f","","","","","","","","","","","","","","","","","","","","","has coordinates","210161","2020-10-21","18:00:00",""
"4300625","10.177","0.011","11.977","0.006","24.166","0.004","90","","95.83","0.04","90","","2930.3","1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[1.Zn.CH3CN.H2O](ClO4)2","","","- C24 H27 Cl2 N O16 Zn -","- C24 H27 Cl2 N O16 Zn -","- C96 H108 Cl8 N4 O64 Zn4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051672z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179044","2020-10-21","18:00:00",""
"4300626","10.1318","0.0017","11.803","0.0004","23.999","0.007","90","","95.75","0.19","90","","2855.5","1","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[1.Mn.CH3CN.H2O](ClO4)2","","","- C24 H27 Cl2 Mn N O16 -","- C24 H27 Cl2 Mn N O16 -","- C96 H108 Cl8 Mn4 N4 O64 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051672z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179044","2020-10-21","18:00:00",""
"4300627","8.0303","0.0006","25.976","0.002","12.1616","0.0009","90","","94.956","0.001","90","","2527.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","05051","","","- C22 H22 Cl2 O15 Pb -","- C22 H22 Cl2 O15 Pb -","- C88 H88 Cl8 O60 Pb4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051672z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179044","2020-10-21","18:00:00",""
"4300628","13.7609","0.0011","16.2275","0.0013","17.0895","0.0014","91.404","0.001","109.36","0.001","102.397","0.001","3497.4","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H72 N6 O6 Os P3 -","- C78 H60 N6 O6 Os P3 -","- C156 H120 N12 O12 Os2 P6 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0516818","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300629","13.564","0.0003","13.564","0.0003","17.015","0.0004","90","","90","","90","","3130.46","0.12","173","2","173","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C160 H112 O32 -","8","1","","Dickie, Diane A.; Schatte, Gabriele; Jennings, Michael C.; Jenkins, Hilary A.; Khoo, Sarah Y. L.; Clyburne, Jason A. C.","Structure of Organic and Metal-Organic Networks Based on a Bifunctionalm-Terphenyl Carboxylic Acid","Inorganic Chemistry","2006","45","4","1646","1655","10.1021/ic051690g","","","","","","","","","","","","","","","","","","","","","has coordinates","198546","2020-10-21","18:00:00",""
"4300630","10.455","0.0002","13.391","0.0003","19.053","0.0005","90","","116.673","0.0008","90","","2383.61","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O4 -","- C30 H22 N2 O4 -","- C120 H88 N8 O16 -","4","1","","Dickie, Diane A.; Schatte, Gabriele; Jennings, Michael C.; Jenkins, Hilary A.; Khoo, Sarah Y. L.; Clyburne, Jason A. C.","Structure of Organic and Metal-Organic Networks Based on a Bifunctionalm-Terphenyl Carboxylic Acid","Inorganic Chemistry","2006","45","4","1646","1655","10.1021/ic051690g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4300631","10.608","0.0002","14.955","0.0004","16.445","0.0004","90","","90.676","0.0013","90","","2608.7","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 N2 O5 Zn -","- C31 H26 N2 O5 Zn -","- C124 H104 N8 O20 Zn4 -","4","1","","Dickie, Diane A.; Schatte, Gabriele; Jennings, Michael C.; Jenkins, Hilary A.; Khoo, Sarah Y. L.; Clyburne, Jason A. C.","Structure of Organic and Metal-Organic Networks Based on a Bifunctionalm-Terphenyl Carboxylic Acid","Inorganic Chemistry","2006","45","4","1646","1655","10.1021/ic051690g","","","","","","","","","","","","","","","","","","","","","has coordinates","198546","2020-10-21","18:00:00",""
"4300632","10.6402","0.0013","15.0184","0.0018","16.425","0.002","90","","90.703","0.002","90","","2624.5","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Co N2 O5 -","- C31 H26 Co N2 O5 -","- C124 H104 Co4 N8 O20 -","4","1","","Dickie, Diane A.; Schatte, Gabriele; Jennings, Michael C.; Jenkins, Hilary A.; Khoo, Sarah Y. L.; Clyburne, Jason A. C.","Structure of Organic and Metal-Organic Networks Based on a Bifunctionalm-Terphenyl Carboxylic Acid","Inorganic Chemistry","2006","45","4","1646","1655","10.1021/ic051690g","","","","","","","","","","","","","","","","","","","","","has coordinates","198546","2020-10-21","18:00:00",""
"4300633","17.217","0.0002","12.964","0.0003","18.763","0.0004","90","","90","","90","","4187.92","0.14","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H36 Cu N2 O8 -","- C50 H36 Cu N2 O8 -","- C200 H144 Cu4 N8 O32 -","4","0.5","","Dickie, Diane A.; Schatte, Gabriele; Jennings, Michael C.; Jenkins, Hilary A.; Khoo, Sarah Y. L.; Clyburne, Jason A. C.","Structure of Organic and Metal-Organic Networks Based on a Bifunctionalm-Terphenyl Carboxylic Acid","Inorganic Chemistry","2006","45","4","1646","1655","10.1021/ic051690g","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300634","9.3336","0.0005","11.746","0.0006","24.5687","0.0013","76.949","0.001","86.176","0.001","79.196","0.001","2576.6","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H50 Cu N4 O10 -","- C60 H50 Cu N4 O10 -","- C120 H100 Cu2 N8 O20 -","2","1","","Dickie, Diane A.; Schatte, Gabriele; Jennings, Michael C.; Jenkins, Hilary A.; Khoo, Sarah Y. L.; Clyburne, Jason A. C.","Structure of Organic and Metal-Organic Networks Based on a Bifunctionalm-Terphenyl Carboxylic Acid","Inorganic Chemistry","2006","45","4","1646","1655","10.1021/ic051690g","","","","","","","","","","","","","","","","","","","","","has coordinates","198546","2020-10-21","18:00:00",""
"4300635","17.3343","0.0014","11.1485","0.0009","9.4161","0.0005","90","","114.154","0.004","90","","1660.4","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Ag2 O4 -","- C20 H12 Ag2 O4 -","- C80 H48 Ag8 O16 -","4","0.5","","Dickie, Diane A.; Schatte, Gabriele; Jennings, Michael C.; Jenkins, Hilary A.; Khoo, Sarah Y. L.; Clyburne, Jason A. C.","Structure of Organic and Metal-Organic Networks Based on a Bifunctionalm-Terphenyl Carboxylic Acid","Inorganic Chemistry","2006","45","4","1646","1655","10.1021/ic051690g","","","","","","","","","","","","","","","","","","","","","has coordinates","198546","2020-10-21","18:00:00",""
"4300636","11.1","0.0003","13.68","0.0006","15.717","0.0006","98.866","0.002","90.857","0.002","95.61","0.002","2345.69","0.15","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O6 Zn -","- C24 H24 O6 Zn -","- C96 H96 O24 Zn4 -","4","2","","Dickie, Diane A.; Schatte, Gabriele; Jennings, Michael C.; Jenkins, Hilary A.; Khoo, Sarah Y. L.; Clyburne, Jason A. C.","Structure of Organic and Metal-Organic Networks Based on a Bifunctionalm-Terphenyl Carboxylic Acid","Inorganic Chemistry","2006","45","4","1646","1655","10.1021/ic051690g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","198546","2020-10-21","18:00:00",""
"4300637","7.9203","0.0004","9.9079","0.0005","13.9864","0.0003","75.406","0.01","74.172","0.01","89.981","0.014","1019.12","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cd4 Cl6 O13 Te6 -","- Cd4 Cl6 O13 Te6 -","- Cd8 Cl12 O26 Te12 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051703q","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300638","14.4725","0.0008","6.7259","0.0004","28.0429","0.0014","90","","90","","90","","2729.7","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cd7 Cl8 O17 Te7 -","- Cd7 Cl8 O17 Te7 -","- Cd28 Cl32 O68 Te28 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051703q","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300639","9.9605","0.0012","11.5019","0.0014","18.077","0.002","102.866","0.003","91.019","0.004","98.275","0.004","1995.3","0.4","121","2","121","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H66 Li N5 O -","- C40 H66 Li N5 O -","- C80 H132 Li2 N10 O2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051704i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300640","24.613","0.002","20.2102","0.0016","17.7282","0.0014","90","","125.337","0.002","90","","7194","1","126","2","126","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H58 N5 Tl -","- C36 H58 N5 Tl -","- C288 H464 N40 Tl8 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051704i","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300641","11.507","0.005","17.699","0.01","19.36","0.012","90","","106.927","0.019","90","","3772","4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 Cl Fe N5 -","- C36 H58 Cl Fe N5 -","- C144 H232 Cl4 Fe4 N20 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051704i","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300642","15.0257","0.0018","12.0207","0.0014","21.061","0.003","90","","98.543","0.003","90","","3761.8","0.8","119","2","119","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Cl Co N5 -","- C36 H58 Cl Co N5 -","- C144 H232 Cl4 Co4 N20 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051704i","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300643","6.7981","0.0012","11.978","0.002","13.515","0.003","90","","100.174","0.002","90","","1083.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O9.5 Pr -","- C8 H8 N O9.5 Pr -","- C32 H32 N4 O38 Pr4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051707v","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300644","21.288","0.004","6.4991","0.0013","21.651","0.004","90","","90","","90","","2995.5","1","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C17 H27 Cl N2 Na2 Ni O26.5 Pr -","- C17 H12 Cl N2 Na2 Ni O26.5 Pr -","- C68 H48 Cl4 N8 Na8 Ni4 O106 Pr4 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051707v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4300645","16.3017","0.0014","15.395","0.0013","19.5528","0.0017","90","","103.134","0.001","90","","4778.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H43 B F15 O P -","- C52 H43 B F15 O P -","- C208 H172 B4 F60 O4 P4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051713r","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300646","15.488","0.003","21.574","0.003","19.979","0.003","90","","111.543","0.003","90","","6209.7","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 B F15 O P -","- C30 H27 B F15 O P -","- C240 H216 B8 F120 O8 P8 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051713r","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300647","21.187","0.005","12.7","0.003","21.53","0.005","90","","109.807","0.003","90","","5451","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H58 B F15 Li O3 P -","- C53 H58 B F15 Li O3 P -","- C212 H232 B4 F60 Li4 O12 P4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051713r","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300648","12.841","0.009","15.686","0.011","29.97","0.02","90","","94.046","0.012","90","","6022","7","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H37 B2 F30 Li O2 P -","- C55 H37 B2 F30 Li O2 P -","- C220 H148 B8 F120 Li4 O8 P4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051713r","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300649","9.5088","0.0019","6.2382","0.0012","13.494","0.003","90","","94.64","0.03","90","","797.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 O20 Ti2 -","- C6 H16 O20 Ti2 -","- C12 H32 O40 Ti4 -","2","0.5","","Uppal, R; Incarvito, C. D.; Lakshmi, K. V.; Valentine, A. M.","Aqueous Spectroscopy and Redox Properties of Carboxylate-Bound Titanium","Inorganic Chemistry","2006","","","","","10.1021/ic051714j","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300650","9.4204","0.0005","24.4924","0.001","8.5734","0.0005","90","","95.304","0.004","90","","1969.66","0.17","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Al F10 N2 -","- C19 H13 Al F10 N2 -","- C76 H52 Al4 F40 N8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051718o","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300651","11.2157","0.0008","14.7816","0.0014","12.8121","0.0009","90","","103.956","0.005","90","","2061.4","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H7 Al Br2 F10 N2 -","- C17 H7 Al Br2 F10 N2 -","- C68 H28 Al4 Br8 F40 N8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051718o","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300652","13.1892","0.0006","17.0111","0.0009","18.435","0.0009","90","","102.906","0.004","90","","4031.6","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H24 Al2 F20 N4 O -","- C39.5 H24 Al2 F20 N4 O -","- C158 H96 Al8 F80 N16 O4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051718o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4300653","11.81","0.003","13.818","0.004","14.114","0.004","77.952","0.009","82.034","0.007","67.534","0.008","2077.2","1","120","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H14 Ag F3 N4 O3 S -","- C19 H14 Ag F3 N4 O3 S -","- C76 H56 Ag4 F12 N16 O12 S4 -","4","2","","M. Barboiu; G. Vaughan; A. van der Lee","","Inorganic Chemistry","2006","","","","","10.1021/ic0517220","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300654","28.18","0.002","22.8998","0.0016","26.5367","0.0018","90","","104.019","0.002","90","","16615","2","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 Cl4 Cu4 N16 O20 -","- C72 H54 Cl4 Cu4 N16 O20 -","- C576 H432 Cl32 Cu32 N128 O160 -","8","1","","M. Barboiu; G. Vaughan; A. van der Lee","","Inorganic Chemistry","2006","","","","","10.1021/ic0517220","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4300655","12.669","0.003","26.179","0.005","16.239","0.003","90","","90.108","0.005","90","","5386","1.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H64 N2 O3 P4 Sr -","- C60 H64 N2 O3 P4 Sr -","- C240 H256 N8 O12 P16 Sr4 -","4","1","","Roesky, Peter W.","","Inorganic Chemistry","2006","","","","","10.1021/ic051738q","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300656","10.9566","0.0007","12.5657","0.0011","39.541","0.003","90","","90.521","0.005","90","","5443.6","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H64 Eu N2 O3 P4 -","- C60 H64 Eu N2 O3 P4 -","- C240 H256 Eu4 N8 O12 P16 -","4","1","","Roesky, Peter W.","","Inorganic Chemistry","2006","","","","","10.1021/ic051738q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179044","2020-10-21","18:00:00",""
"4300657","25.164","0.004","25.164","0.004","29.389","0.006","90","","90","","120","","16117","5","173","2","173","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C86.5 H80 Ba K N3 O P6 -","- C86.5 H80 Ba K N3 O P6 -","- C519 H480 Ba6 K6 N18 O6 P36 -","6","1","","Roesky, Peter W.","","Inorganic Chemistry","2006","","","","","10.1021/ic051738q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300658","5.0658","0.0005","10.333","0.001","17.421","0.002","90","","90","","90","","911.9","0.1","148.2","","148.2","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Mg2.56 O8 V1.12 W0.88 -","- Mg1.94667 O7.33333 V0.944667 W0.722 -","- Mg11.68 O44 V5.668 W4.332 -","6","0.75","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051740h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300659","7.8633","0.0008","7.9248","0.0008","9.0394","0.0006","87.382","0.007","86.872","0.008","75.985","0.009","545.4","0.09","140","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 I N3 -","- C8 H12 I N3 -","- C16 H24 I2 N6 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051751a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4300660","31.595","0.0018","32.8157","0.0018","20.4808","0.0011","90","","127.005","0.001","90","","16957.7","1.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C160 H224 Gd N16 S16 -","- C160 H224 Gd N16 S16 -","- C640 H896 Gd4 N64 S64 -","4","0.5","","Gurek, Ayse Gul; Basova, Tamara; Luneau, Dominique; Lebrun, Colette; Kol'tsov, Evgeny; Hassan, Aseel K.; Ahsen, Vefa","Synthesis, Structure, Spectroscopic Properties and Magnetic Properties of Mesomorphic Octakis (hexylthio)-Substituted Phthalocyanine Rare-Earth Metal Sandwich Complexes","Inorganic Chemistry","2006","","","","","10.1021/ic051754n","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300661","31.5634","0.0018","32.796","0.002","20.4807","0.0013","90","","127.032","0.001","90","","16924.4","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C160 H224 Dy N16 S16 -","- C160 H224 Dy N16 S16 -","- C640 H896 Dy4 N64 S64 -","4","0.5","","Gurek, Ayse Gul; Basova, Tamara; Luneau, Dominique; Lebrun, Colette; Kol'tsov, Evgeny; Hassan, Aseel K.; Ahsen, Vefa","Synthesis, Structure, Spectroscopic Properties and Magnetic Properties of Mesomorphic Octakis (hexylthio)-Substituted Phthalocyanine Rare-Earth Metal Sandwich Complexes","Inorganic Chemistry","2006","","","","","10.1021/ic051754n","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300662","31.629","0.004","32.861","0.004","20.482","0.002","90","","126.922","0.002","90","","17019","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C160 H224 N16 S16 Sm -","- C160 H224 N16 S16 Sm -","- C640 H896 N64 S64 Sm4 -","4","0.5","","Gurek, Ayse Gul; Basova, Tamara; Luneau, Dominique; Lebrun, Colette; Kol'tsov, Evgeny; Hassan, Aseel K.; Ahsen, Vefa","Synthesis, Structure, Spectroscopic Properties and Magnetic Properties of Mesomorphic Octakis (hexylthio)-Substituted Phthalocyanine Rare-Earth Metal Sandwich Complexes","Inorganic Chemistry","2006","","","","","10.1021/ic051754n","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300663","10.236","0.002","11.563","0.002","16.51","0.003","107.79","0.03","93.34","0.03","110.22","0.03","1716.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H35 N7 O3 P2 Pt -","- C34 H35 N7 O3 P2 Pt -","- C68 H70 N14 O6 P4 Pt2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051755f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300664","9.741","0.0019","12.303","0.003","17.18","0.003","95.95","0.03","96.78","0.03","105.3","0.03","1952.4","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H39 N7 O3 P2 Pt -","- C44 H39 N7 O3 P2 Pt -","- C88 H78 N14 O6 P4 Pt2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051755f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300665","14.933","0.004","18.888","0.004","11.86","0.003","90","","90","","90","","3345.2","1.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H35 N5 O4 P2 Pt -","- C33 H35 N5 O4 P2 Pt -","- C132 H140 N20 O16 P8 Pt4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051755f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300666","12.62","0.003","19.323","0.004","13.305","0.003","90","","117.29","0.03","90","","2883.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Al Cl N2 -","- C30 H44 Al Cl N2 -","- C120 H176 Al4 Cl4 N8 -","4","1","","Singh, Sanjay; Ahn, Hans-Jürgen; Stasch, Andreas; Jancik, Vojtech; Roesky, Herbert W.; Pal, Aritra; Biadene, Mariana; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","","Inorganic Chemistry","2006","","","","","10.1021/ic0517826","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179044","2020-10-21","18:00:00",""
"4300667","12.666","0.003","19.287","0.004","13.299","0.003","90","","117.55","0.03","90","","2880","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Cl Ga N2 -","- C30 H44 Cl Ga N2 -","- C120 H176 Cl4 Ga4 N8 -","4","1","","Singh, Sanjay; Ahn, Hans-Jürgen; Stasch, Andreas; Jancik, Vojtech; Roesky, Herbert W.; Pal, Aritra; Biadene, Mariana; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","","Inorganic Chemistry","2006","","","","","10.1021/ic0517826","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300668","12.789","0.002","19.631","0.003","13.294","0.002","90","","117.53","0.02","90","","2960","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Cl In N2 -","- C30 H44 Cl In N2 -","- C120 H176 Cl4 In4 N8 -","4","1","","Singh, Sanjay; Ahn, Hans-Jürgen; Stasch, Andreas; Jancik, Vojtech; Roesky, Herbert W.; Pal, Aritra; Biadene, Mariana; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","","Inorganic Chemistry","2006","","","","","10.1021/ic0517826","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300669","12.685","0.002","19.729","0.002","13.321","0.002","90","","117.43","0.02","90","","2958.9","0.7","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Br2 Ga N2 -","- C29 H41 Br2 Ga N2 -","- C116 H164 Br8 Ga4 N8 -","4","1","","Singh, Sanjay; Ahn, Hans-Jürgen; Stasch, Andreas; Jancik, Vojtech; Roesky, Herbert W.; Pal, Aritra; Biadene, Mariana; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","","Inorganic Chemistry","2006","","","","","10.1021/ic0517826","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300670","9.002","0.002","9.622","0.002","32.954","0.007","90","","91.59","0.03","90","","2853","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Al F N2 -","- C30 H44 Al F N2 -","- C120 H176 Al4 F4 N8 -","4","1","","Singh, Sanjay; Ahn, Hans-Jürgen; Stasch, Andreas; Jancik, Vojtech; Roesky, Herbert W.; Pal, Aritra; Biadene, Mariana; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","","Inorganic Chemistry","2006","","","","","10.1021/ic0517826","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179044","2020-10-21","18:00:00",""
"4300671","12.474","0.003","15.853","0.003","14.196","0.003","90","","104.39","0.03","90","","2719.2","1","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Al F2 N2 -","- C29 H41 Al F2 N2 -","- C116 H164 Al4 F8 N8 -","4","1","","Singh, Sanjay; Ahn, Hans-Jürgen; Stasch, Andreas; Jancik, Vojtech; Roesky, Herbert W.; Pal, Aritra; Biadene, Mariana; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","","Inorganic Chemistry","2006","","","","","10.1021/ic0517826","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300672","12.5","0.002","15.869","0.002","14.285","0.002","90","","104.5","0.02","90","","2743.4","0.7","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 F2 Ga N2 -","- C29 H41 F2 Ga N2 -","- C116 H164 F8 Ga4 N8 -","4","1","","Singh, Sanjay; Ahn, Hans-Jürgen; Stasch, Andreas; Jancik, Vojtech; Roesky, Herbert W.; Pal, Aritra; Biadene, Mariana; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","","Inorganic Chemistry","2006","","","","","10.1021/ic0517826","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300673","8.957","0.002","9.664","0.002","33.123","0.006","90","","91.43","0.02","90","","2866.2","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Ga N2 -","- C30 H45 Ga N2 -","- C120 H180 Ga4 N8 -","4","1","","Singh, Sanjay; Ahn, Hans-Jürgen; Stasch, Andreas; Jancik, Vojtech; Roesky, Herbert W.; Pal, Aritra; Biadene, Mariana; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","","Inorganic Chemistry","2006","","","","","10.1021/ic0517826","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300674","12.508","0.002","16.188","0.002","14.095","0.002","90","","105.06","0.02","90","","2755.9","0.7","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 Ga N2 -","- C29 H43 Ga N2 -","- C116 H172 Ga4 N8 -","4","1","","Singh, Sanjay; Ahn, Hans-Jürgen; Stasch, Andreas; Jancik, Vojtech; Roesky, Herbert W.; Pal, Aritra; Biadene, Mariana; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg","","Inorganic Chemistry","2006","","","","","10.1021/ic0517826","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300675","10.802","0.004","14.284","0.004","20.904","0.005","90","","90","","90","","3225.3","1.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 Cl2 O2 P2 Ti -","- C36 H28 Cl2 O2 P2 Ti -","- C144 H112 Cl8 O8 P8 Ti4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0517927","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300676","11.614","0.002","20.752","0.004","18.001","0.004","90","","106.58","0.03","90","","4158.2","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H64 Cl2 O2 P2 Zr -","- C37 H64 Cl2 O2 P2 Zr -","- C148 H256 Cl8 O8 P8 Zr4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0517927","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179044","2020-10-21","18:00:00",""
"4300677","9.8846","0.0004","11.8345","0.0005","21.7236","0.0009","100.915","0.004","97.924","0.004","95.791","0.004","2450.25","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C53.5 H58 Cl2 Hf O2 P2 -","- C53.5 H58 Cl2 Hf O2 P2 -","- C107 H116 Cl4 Hf2 O4 P4 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0517927","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4300678","17.645","0.0002","22.8355","0.0002","26.0284","0.0003","90","","99.67","","90","","10338.6","0.19","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H108 F40 N3 Pt2 Tl -","- C96 H108 F40 N3 Pt2 Tl -","- C384 H432 F160 N12 Pt8 Tl4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051818u","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300679","14.2476","0.0007","14.2476","0.0007","18.1928","0.0011","90","","90","","120","","3198.3","0.3","180","1","180","1","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C40 H36 F20 N Pt Tl -","- C40 F20 N Pt Tl -","- C120 F60 N3 Pt3 Tl3 -","3","0.25","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051818u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300680","12.6668","0.0002","14.2938","0.0003","35.0539","0.0009","90","","90","","90","","6346.7","0.2","173","1","173","1","","","","","","","","7","P c a a","-P 2ac 2c","54","","","","- C56 H72 F26 N2 P Pt Tl -","- C56 H72 F26 N2 P Pt Tl -","- C224 H288 F104 N8 P4 Pt4 Tl4 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051818u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300681","11.8465","0.0012","14.2914","0.0014","20.564","0.002","90","","96.596","0.002","90","","3458.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H88 Mn12 O42 -","- C44 H88 Mn12 O42 -","- C88 H176 Mn24 O84 -","2","0.5","","Yangguang Li; Wolfgang Wernsdorfer; Rodolphe Clerac; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell","A New Valence-Sandwich [MnII4MnIII4MnII4] Aggregate showing Single-Molecule Magnet Behavior","Inorganic Chemistry","2006","","","","","10.1021/ic051819m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179044","2020-10-21","18:00:00",""
"4300682","10.6794","0.001","10.6794","0.001","10.6794","0.001","90","","90","","90","","1218","0.2","293","2","293","2","","","","","","","","4","I 21 3","I 2b 2c 3","199","","","","- B H10 Li4 N3 -","- B H10 Li4 N3 -","- B8 H80 Li32 N24 -","8","0.333333","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0518226","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300683","10.6723","0.001","10.6723","0.001","10.6723","0.001","90","","90","","90","","1215.6","0.2","293","2","293","2","","","","","","","","4","I 21 3","I 2b 2c 3","199","","","","- B H10 Li4 N3 -","- B H10 Li4 N3 -","- B8 H80 Li32 N24 -","8","0.333333","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0518226","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300684","8.215","0.005","24.546","0.005","12.543","0.005","90","","94.157","0.005","90","","2522.6","1.9","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H32 Mn2 N14 Pt S6 -","- C46 H32 Mn2 N14 Pt S6 -","- C92 H64 Mn4 N28 Pt2 S12 -","2","0.5","","Genevieve Levasseur-Theriault; Christophe Aronica; Dominique Luneau; Christian Reber","Large pressure-induced red-shift of the luminescence band for crystalline [Pt(SCN)4]2- without metal-metal interactions","Inorganic Chemistry","2006","","","","","10.1021/ic051836b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300685","30.16","0.02","8.834","0.005","18.437","0.011","90","","107.04","0.02","90","","4697","5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 Ag2 N10 O7 -","- C46 H54 Ag2 N10 O7 -","- C184 H216 Ag8 N40 O28 -","4","0.5","","Lee, Hon Man; Chiu, Ping Ling","","Inorganic Chemistry","2006","","","","","10.1021/ic051840n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179044","2020-10-21","18:00:00",""
"4300686","9.489","0.002","12.732","0.003","17.445","0.004","84.938","0.01","84.937","0.009","80.77","0.01","2066.3","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H45 Ag2 F2 N11 O7 -","- C37 H45 Ag2 F2 N11 O7 -","- C74 H90 Ag4 F4 N22 O14 -","2","1","","Lee, Hon Man; Lee, Chun-Chin","","Inorganic Chemistry","2006","","","","","10.1021/ic051840n","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300687","10.8304","0.0004","12.2859","0.0005","15.4688","0.0006","97.86","0.002","101.205","0.002","105.317","0.002","1908.47","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 Ag2 B2 F10 N8 -","- C34 H38 Ag2 B2 F10 N8 -","- C68 H76 Ag4 B4 F20 N16 -","2","1","","Lee, Hon Man; Chiu, Ping Ling","","Inorganic Chemistry","2006","","","","","10.1021/ic051840n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277859","2022-09-15","00:05:26",""
"4300688","9.4205","0.0006","13.4043","0.0008","28.8919","0.0017","89.868","0.001","84.804","0.001","76.127","0.001","3526.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38.5 Ag F2 N9 O3.25 -","- C34 H38.5 Ag F2 N9 O3.25 -","- C136 H154 Ag4 F8 N36 O13 -","4","2","","Lee, Hon Man; Chiu, Ping Ling","","Inorganic Chemistry","2006","","","","","10.1021/ic051840n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277859","2022-09-15","00:05:26",""
"4300689","8.8758","0.0012","13.9822","0.0018","15.222","0.002","71.359","0.007","89.092","0.008","89.993","0.007","1789.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Ag2 N10 O6 -","- C34 H40 Ag2 N10 O6 -","- C68 H80 Ag4 N20 O12 -","2","1","","Lee, Hon Man; Chen, Chih Yuan","","Inorganic Chemistry","2006","","","","","10.1021/ic051840n","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300690","15.4284","0.0011","15.4284","0.0011","15.8947","0.0016","90","","90","","120","","3276.6","0.5","100","2","100","2","","","","","","","","6","P -3","-P 3","147","boracalix[3]arene_1b","","","- C60 H48 B3 I6 N3 O6 -","- C60 H48 B3 I6 N3 O6 -","- C120 H96 B6 I12 N6 O12 -","2","0.333333","","Victor Barba","","Inorganic Chemistry","2006","","","","","10.1021/ic051850o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300691","17.4628","0.0018","16.8118","0.0017","17.5255","0.0017","90","","117.275","0.002","90","","4573.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","boracalix[3]arene_1c","","","- C44 H42 B3 Cl4 N3 O10 -","- C44 H42 B3 Cl4 N3 O10 -","- C176 H168 B12 Cl16 N12 O40 -","4","1","","Victor Barba","","Inorganic Chemistry","2006","","","","","10.1021/ic051850o","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300692","17.408","0.003","12.442","0.002","18.37","0.003","90","","95.361","0.004","90","","3961.3","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","boracalix[3]arene_1d","","","- C39 H30 B3 N3 O13 -","- C39 H30 B3 N3 O13 -","- C156 H120 B12 N12 O52 -","4","1","","Victor Barba","","Inorganic Chemistry","2006","","","","","10.1021/ic051850o","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300693","13.695","0.002","27.611","0.004","16.045","0.002","90","","96.286","0.002","90","","6030.7","1.5","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C84 H168 Cl8 Cu6 Fe4 Mo2 O4 P8 S10 -","- C84.2 H164.2 Cl8 Cu6 Fe4 Mo2 O4 P8 S10 -","- C168.4 H328.4 Cl16 Cu12 Fe8 Mo4 O8 P16 S20 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051860p","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300694","15.86","0.003","18.159","0.003","28.41","0.005","84.443","0.003","75.427","0.003","66.4","0.003","7256","2","150","2","150","2","","","","","","","","10","P -1","-P 1","2","","","","- C97 H199 Cl8 Cu5 F6 Fe4 Mo2 O5 P10 S11 -","- C99.31 H182 Cl8 Cu5 F6 Fe4 Mo2 O5 P10 S11 -","- C198.62 H364 Cl16 Cu10 F12 Fe8 Mo4 O10 P20 S22 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051860p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300695","6.165","0.003","8.403","0.004","13.12","0.005","74.77","0.02","82.74","0.03","88.03","0.03","650.6","0.5","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 F12 Hg N2 P2 S2 -","- C18 H26 F12 Hg N2 P2 S2 -","- C18 H26 F12 Hg N2 P2 S2 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300696","9.6164","0.0013","10.8605","0.0014","19.202","0.003","91.996","0.003","100.047","0.004","96.313","0.004","1959.7","0.5","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H84 F24 Hg2 N8 P4 S6 -","- C58 H84 F24 Hg2 N8 P4 S6 -","- C58 H84 F24 Hg2 N8 P4 S6 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277859","2022-09-15","00:05:26",""
"4300697","10.431","0.002","28.455","0.006","25.414","0.005","90","","92.84","0.03","90","","7534","3","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H26 F6 Hg N3 P S3 -","- C19 H26 F6 Hg N3 P S3 -","- C228 H312 F72 Hg12 N36 P12 S36 -","12","6","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates","179044","2020-10-21","18:00:00",""
"4300698","8.2168","0.0008","16.2964","0.0014","17.6858","0.0019","90","","90","","90","","2368.2","0.4","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H26 Hg N4 S4 -","- C20 H26 Hg N4 S4 -","- C80 H104 Hg4 N16 S16 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300699","11.995","0.002","15.022","0.003","7.958","0.0011","90","","98.383","0.004","90","","1418.6","0.4","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C9 H13 Hg I2 N S -","- C9 H13 Hg I2 N S -","- C36 H52 Hg4 I8 N4 S4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300700","16.504","0.003","28.009","0.005","11.859","0.002","90","","90","","90","","5482.1","1.7","193","2","193","2","","","","","","","","9","P m m n :2","-P 2ab 2a","59","","","","- C72 H104 F12 Hg7 I8 N12 O12 P2 S8 -","- C72 H104 F12 Hg7 I8 N12 O12 P2 S8 -","- C144 H208 F24 Hg14 I16 N24 O24 P4 S16 -","2","0.25","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300701","16.791","0.003","10.85","0.002","9.057","0.0018","90","","90","","90","","1650","0.6","193","2","193","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C18 H26 Hg2 I4 N2 S2 -","- C18 H26 Hg2 I4 N2 S2 -","- C36 H52 Hg4 I8 N4 S4 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300702","6.3897","0.0009","27.699","0.004","7.5773","0.0011","90","","93.234","0.004","90","","1339","0.3","193","2","193","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H26 Cl2 Hg2 N4 S4 -","- C20 H26 Cl2 Hg2 N4 S4 -","- C40 H52 Cl4 Hg4 N8 S8 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179045","2020-10-21","18:00:00",""
"4300703","13.9906","0.0019","16.2749","0.0018","11.5464","0.0012","90","","103.053","0.003","90","","2561.1","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 Cl10 Hg3 N4 S4 -","- C36 H52 Cl10 Hg3 N4 S4 -","- C72 H104 Cl20 Hg6 N8 S8 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300704","20.8335","0.0011","20.8335","0.0011","42.762","0.003","90","","90","","120","","16073.5","1.6","193","2","193","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C162 H234 Cl11 F6 Hg6 N18 P S18 -","- C162 H234 Cl11 F6 Hg6 N18 P S18 -","- C486 H702 Cl33 F18 Hg18 N54 P3 S54 -","3","0.166667","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300705","10.4945","0.0013","26.642","0.004","9.2703","0.0013","90","","107.865","0.004","90","","2466.9","0.6","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl2 Mn N5 O5 -","- C23 H24 Cl2 Mn N5 O5 -","- C92 H96 Cl8 Mn4 N20 O20 -","4","1","","Sabater, Laurent; Hureau, Christelle; Guillot, Régis; Aukauloo Ally","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300706","10.2959","0.0002","10.4928","0.0002","18.232","0.0003","93.4481","0.0006","94.2305","0.0006","102.294","0.0007","1913.42","0.06","298","","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H38 Co3 F36 N6 O14 -","- C58 H38 Co3 F36 N6 O14 -","- C58 H38 Co3 F36 N6 O14 -","1","0.5","","","A Co3(RL)2(hfac)2 Ladder Complex of 5-(4-[N-Tert-butyl-N-aminoxyl]phenyl)pyrimidine","Inorganic Chemistry","2006","","","","","10.1021/ic051884w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300707","10.7622","0.0009","11.3038","0.001","26.224","0.002","85.086","0.002","88.092","0.002","62.225","0.002","2812.3","0.4","273","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H47 N3 O25 Tb3 -","- C45 H39 N3 O25 Tb3 -","- C90 H78 N6 O50 Tb6 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0518881","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300708","10.7383","0.0016","11.2808","0.0016","26.138","0.004","85.111","0.003","88.148","0.002","62.415","0.002","2796","0.7","273","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H49 Dy3 N3 O25 -","- C46 H42 Dy3 N3 O25 -","- C92 H84 Dy6 N6 O50 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0518881","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300709","10.741","0.002","11.284","0.003","26.152","0.006","84.97","0.004","87.963","0.004","62.568","0.004","2802.5","1.1","571","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H49 Ho3 N3 O25 -","- C46 H42 Ho3 N3 O25 -","- C92 H84 Ho6 N6 O50 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0518881","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300710","10.7098","0.0005","11.2449","0.0005","26.066","0.0011","84.998","0.001","88.135","0.001","62.66","0.001","2777.8","0.2","566","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H49 Er3 N3 O25 -","- C46 H42 Er3 N3 O25 -","- C92 H84 Er6 N6 O50 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0518881","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300711","6.4218","0.0003","18.0665","0.001","7.8665","0.0004","90","","112.182","0.001","90","","845.12","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Co3 N8 O6 -","- C12 H8 Co3 N8 O6 -","- C24 H16 Co6 N16 O12 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051896h","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300712","16.2454","0.0012","56.345","0.004","16.3333","0.0013","90","","113.414","0.004","90","","13719.6","1.8","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H41 B8 Fe2 N O7 P2 -","- C44 H41 B8 Fe2 N O7 P2 -","- C528 H492 B96 Fe24 N12 O84 P24 -","12","3","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^","Inorganic Chemistry","2006","45","6","2669","2677","10.1021/ic051946i","","","","","","","","","","","","","","","","","","","","","has coordinates","210270","2020-10-21","18:00:00",""
"4300713","11.6121","0.0006","11.7781","0.0006","14.4449","0.0008","80.587","0.002","85.802","0.002","82.398","0.002","1929.19","0.18","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H39 B8 Fe N O3 P2 -","- C40 H39 B8 Fe N O3 P2 -","- C80 H78 B16 Fe2 N2 O6 P4 -","2","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^","Inorganic Chemistry","2006","45","6","2669","2677","10.1021/ic051946i","","","","","","","","","","","","","","","","","","","","","has coordinates","210270","2020-10-21","18:00:00",""
"4300714","14.99","0.003","14.936","0.003","17.66","0.004","90","","94.854","0.01","90","","3939.7","1.4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H39 B8 Fe N O3 P2 -","- C40 H39 B8 Fe N O3 P2 -","- C160 H156 B32 Fe4 N4 O12 P8 -","4","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^","Inorganic Chemistry","2006","45","6","2669","2677","10.1021/ic051946i","","","","","","","","","","","","","","","","","","","","","has coordinates","210270","2020-10-21","18:00:00",""
"4300715","11.8803","0.0004","15.9624","0.0007","17.6111","0.0007","90","","90","","90","","3339.7","0.2","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 B8 Fe2 O7 -","- C8 H12 B8 Fe2 O7 -","- C64 H96 B64 Fe16 O56 -","8","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^","Inorganic Chemistry","2006","45","6","2669","2677","10.1021/ic051946i","","","","","","","","","","","","","","","","","","","","","has coordinates","210270","2020-10-21","18:00:00",""
"4300716","11.429","0.0014","12.8599","0.0017","14.3117","0.0018","96.175","0.006","110.698","0.005","106.957","0.005","1829.3","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H38 B8 Cu Fe2 O7 P -","- C31 H38 B8 Cu Fe2 O7 P -","- C62 H76 B16 Cu2 Fe4 O14 P2 -","2","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^","Inorganic Chemistry","2006","45","6","2669","2677","10.1021/ic051946i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210270","2020-10-21","18:00:00",""
"4300717","11.5823","0.0017","12.8429","0.0019","14.42","0.002","97.59","0.004","112.387","0.004","104.934","0.004","1851.6","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H38 Ag B8 Fe2 O7 P -","- C31 H38 Ag B8 Fe2 O7 P -","- C62 H76 Ag2 B16 Fe4 O14 P2 -","2","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^","Inorganic Chemistry","2006","45","6","2669","2677","10.1021/ic051946i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210270","2020-10-21","18:00:00",""
"4300718","12.6993","0.0014","13.4499","0.0016","15.9396","0.0018","114.448","0.005","90.694","0.004","90.124","0.004","2478.2","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H40 B8 Fe O2 P2 -","- C15 H40 B8 Fe O2 P2 -","- C60 H160 B32 Fe4 O8 P8 -","4","2","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^","Inorganic Chemistry","2006","45","6","2669","2677","10.1021/ic051946i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210270","2020-10-21","18:00:00",""
"4300719","17.246","0.003","6.0882","0.0012","8.5892","0.0017","90","","95.42","0.03","90","","897.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H2 F3 O3 U -","- C H2 F3 O3 U -","- C8 H16 F24 O24 U8 -","8","1","","Wang, Chih-Ming; Liao, Chia-Hsien; Chen, Pei-Lin; Lii, Kwang-Hwa","UF3(H2O)(C2O4)0.5: A Fluoroxalate of Tetravalent Uranium with a Three-Dimensional Framework Structure","Inorganic Chemistry","2006","45","4","1436","1438","10.1021/ic051960v","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4300720","15.203","0.002","10.2445","0.0013","19.094","0.002","90","","101.613","0.003","90","","2913","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Cu6 N20 O32 -","- C36 H56 Cu6 N20 O32 -","- C72 H112 Cu12 N40 O64 -","2","0.5","","González-Pérez, Josefa María; Alarcón-Payer, Carolina; Castiñeiras, Alfonso; Pivetta, Tiziana; Lezama, Luis; Choquesillo-Lazarte, Duane; Crisponi, Guido; Niclós-Gutiérrez, Juan","","Inorganic Chemistry","2006","","","","","10.1021/ic051965s","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300721","9.374","0.0007","9.4395","0.0007","10.3261","0.0008","78.723","0.001","76.769","0.001","63.508","0.001","791.47","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Cu2 N20 O9 -","- C20 H34 Cu2 N20 O9 -","- C20 H34 Cu2 N20 O9 -","1","0.5","","González-Pérez, Josefa María; Alarcón-Payer, Carolina; Castiñeiras, Alfonso; Pivetta, Tiziana; Lezama, Luis; Choquesillo-Lazarte, Duane; Crisponi, Guido; Niclós-Gutiérrez, Juan","","Inorganic Chemistry","2006","","","","","10.1021/ic051965s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300722","6.1944","0.0012","6.3315","0.0013","13.804","0.003","85.34","0.03","85.18","0.03","89.82","0.03","537.67","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba F Sb Se2 -","- Ba F Sb Se2 -","- Ba4 F4 Sb4 Se8 -","4","2","","Kabbour, Houria; Cario, Laurent","Ae2F2Sb2X4 (Ae= Sr, Ba) new members of the homologous series Ae2F2M1+xX3+x designed from rock salt and fluorite 2D building blocks.","Inorganic Chemistry","2006","","","","","10.1021/ic051969x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300723","9.7652","0.0006","19.775","0.0013","14.1924","0.0009","90","","92.316","0.002","90","","2738.4","0.3","243","2","243","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C55 H66 B Cl N8 P Rh S3 -","- C55 H66 B Cl N8 P Rh S3 -","- C110 H132 B2 Cl2 N16 P2 Rh2 S6 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051975t","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300724","14.527","0.004","17.832","0.005","24.242","0.007","89.748","0.006","78.524","0.004","85.921","0.005","6138","3","243","2","243","2","","","","","","","","9","P -1","-P 1","2","","","","- C53 H76 B Cl Ir N6 O3.5 P S3 -","- C39 H48 B Cl Ir N6 P S3 -","- C156 H192 B4 Cl4 Ir4 N24 P4 S12 -","4","2","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051975t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300725","12.2427","0.0007","14.218","0.0008","16.4254","0.001","95.879","0.001","110.785","0.001","113.132","0.001","2358.9","0.2","243","2","243","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H40 B Ir N7 O P S3 -","- C48 H40 B Ir N7 O P S3 -","- C96 H80 B2 Ir2 N14 O2 P2 S6 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051975t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300726","10.175","0.002","52.898","0.012","13.679","0.003","90","","94.099","0.009","90","","7344","3","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C83 H69 N5 O4 P4 Ru2 S2 -","- C83 H69 N5 O4 P4 Ru2 S2 -","- C332 H276 N20 O16 P16 Ru8 S8 -","4","1","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Inorganic Chemistry","2006","","","","","10.1021/ic051989z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179045","2020-10-21","18:00:00",""
"4300727","21.5112","0.0017","21.5112","0.0017","27.171","0.003","90","","90","","90","","12573","2","153","2","153","2","","","","","","","","8","P 42/n m c :2","-P 4ac 2a","137","","","","- C8 H130 K17 Li11 O235 P8 Sn4 W48 -","- C8 K17 O235 P8 Sn4 W48 -","- C16 K34 O470 P16 Sn8 W96 -","2","0.125","","Hussain, Firasat; Kortz, Ulrich; Keita, Bineta; Nadjo, Louis","Tetrakis-Dimethyltin Containing Tungstophosphate [{Sn(CH~3~)~2~}~4~(H~2~P~4~W~24~O~92~)~2~]^28-^: First Evidence for Lacunary Preyssler Ion","Inorganic Chemistry","2006","","","","","10.1021/ic051990y","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300728","14.1695","0.001","16.0351","0.0011","23.175","0.0015","78.013","0.001","76.98","0.001","81.43","0.001","4989.4","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C189 H194 B4 Cl18 F16 N8 P8 Rh4 S8 -","- C180 H176 B4 F16 N8 P8 Rh4 S8 -","- C180 H176 B4 F16 N8 P8 Rh4 S8 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052000b","","","","","","","","","","","","","","","","","","","","","has coordinates","208243","2020-10-21","18:00:00",""
"4300729","6.7609","0.0008","6.8122","0.0007","7.9355","0.001","70.739","0.004","72.669","0.004","84.555","0.005","329.36","0.07","173","2","175","5","","","","","","","","3","P -1","-P 1","2","Copper Molybdenum Selenide","","","- Cu4 Mo6 Se8 -","- Cu4 Mo6 Se8 -","- Cu4 Mo6 Se8 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052013p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300730","13.7303","0.0005","14.6919","0.0006","14.7425","0.0004","90","","90","","90","","2973.92","0.18","173","2","173","2","","","","","","","","7","P b n 21","P 2c -2ab","33","[Li(MeOH)4][PhB(mt)]3","","","- C22 H36 B Li N6 O4 S3 -","- C22 H36 B Li N6 O4 S3 -","- C88 H144 B4 Li4 N24 O16 S12 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052032z","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300731","11.952","0.0004","12.939","0.0004","13.5811","0.0005","82.507","0.002","70.21","0.002","74.053","0.002","1898.56","0.11","123","2","123","2","","","","","","","","8","P -1","-P 1","2","[Cu(PhTm)(PPh3)].CH2Cl2","","","- C37 H37 B Cl2 Cu N6 P S3 -","- C37 H37 B Cl2 Cu N6 P S3 -","- C74 H74 B2 Cl4 Cu2 N12 P2 S6 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052032z","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300732","10.18","0.005","29.852","0.005","10.498","0.005","90","","109.936","0.005","90","","2999","2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Ag(PhTm)(PEt3)","","","- C24 H35 Ag B N6 P S3 -","- C24 H20 Ag B N6 P S3 -","- C96 H80 Ag4 B4 N24 P4 S12 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052032z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300733","13.927","0.0004","14.4549","0.0004","14.5183","0.0003","90","","90","","90","","2922.72","0.13","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","[Au(PhTm)(PEt3)]","","","- C24 H35 Au B N6 P S3 -","- C24 H35 Au B N6 P S3 -","- C96 H140 Au4 B4 N24 P4 S12 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052032z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300734","10.4991","0.0003","17.4448","0.0004","16.6193","0.0005","90","","97.322","0.001","90","","3019.08","0.14","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Cu(PhBm)(PPh3)]","","","- C32 H31 B Cu N4 P S2 -","- C32 H31 B Cu N4 P S2 -","- C128 H124 B4 Cu4 N16 P4 S8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052032z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300735","10.6397","0.0003","17.6269","0.0004","16.8142","0.0004","90","","98.595","0.001","90","","3118","0.14","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ag(PhBm)(PPh3)]","","","- C32 H31 Ag B N4 P S2 -","- C32 H31 Ag B N4 P S2 -","- C128 H124 Ag4 B4 N16 P4 S8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052032z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300736","10.9667","0.0005","23.4584","0.0012","15.561","0.0007","90.04","","93.432","0.003","90.01","","3996.1","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CuCl2+LiPhTm in MeOH (slow diff)","","","- C24 H30 Cl Cu6 N12 S6 -","- C24 H30 Cl Cu6 N12 S6 -","- C96 H120 Cl4 Cu24 N48 S24 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052032z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300737","10.1299","0.0003","11.2001","0.0005","11.4848","0.0005","61.706","0.002","79.537","0.002","85.277","0.002","1128.26","0.08","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H24 B Cu N6 O S3 -","- C19 H24 B Cu N6 O S3 -","- C38 H48 B2 Cu2 N12 O2 S6 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052032z","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300738","12.7063","0.0018","13.5595","0.0018","16.805","0.002","105.689","0.004","100.502","0.004","99.263","0.004","2672.4","0.6","119","2","119","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H61 B F15 N2 O2 Ti -","- C56 H61 B F15 N2 O2 Ti -","- C112 H122 B2 F30 N4 O4 Ti2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052065e","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300739","13.1392","0.0016","18.319","0.002","21.385","0.003","90","","94.109","0.003","90","","5133.9","1.1","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H87 N2 O3 Ti -","- C55 H73 N3 O2 Ti -","- C220 H292 N12 O8 Ti4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052065e","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300740","12.0226","0.0007","13.9555","0.0008","18.3991","0.0011","89.91","0.002","83.022","0.002","66.659","0.001","2809.7","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H63 B F15 N3 Ti -","- C61 H63 B F15 N3 Ti -","- C122 H126 B2 F30 N6 Ti2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052065e","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300741","9.0008","0.0008","10.0808","0.0016","10.6719","0.0017","91.012","0.007","91.448","0.009","98.302","0.009","957.6","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Cl4 N4 O7 Re2 -","- C36 H36 Cl4 N4 O7 Re2 -","- C36 H36 Cl4 N4 O7 Re2 -","1","0.5","","Elon A. Ison, Jeanette E. Cessarich, Guodong Du,; Phillip E. Fanwick, Mahdi M. Abu-Omar","Synthesis of cationic oxorhenium salen complexes via mu-oxo abstraction and their activity in catalytic reductions.","Inorganic Chemistry","2006","","","","","10.1021/ic0520768","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277859","2022-09-15","00:05:26",""
"4300742","16.1182","0.0002","17.6845","0.0002","21.2961","0.0003","90","","92.2845","0.0013","90","","6065.46","0.13","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C120 H72 B2 Cl8 F40 N8 O13 Re4 -","- C120 H72 B2 Cl8 F40 N8 O13 Re4 -","- C240 H144 B4 Cl16 F80 N16 O26 Re8 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0520768","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300743","10.809","0.0004","14.9865","0.0006","15.0986","0.0005","69.1349","0.0014","74.3555","0.0015","77.3382","0.0015","2180.04","0.14","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C42.55 H20.1 B Cl1.1 F20 N3 O4 Re -","- C42.548 H20.096 B Cl1.096 F20 N3 O4 Re -","- C85.096 H40.192 B2 Cl2.192 F40 N6 O8 Re2 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0520768","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300744","15.0752","0.0013","16.0141","0.0014","17.8295","0.0015","80.9","0.002","72.585","0.002","66.351","0.002","3758.5","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H128 Mn10 N12 O70 Th6 -","- C112 H80 Mn10 N2 O70 Th6 -","- C112 H80 Mn10 N2 O70 Th6 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052089l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300745","6.776","0.003","9.592","0.004","9.786","0.005","98.19","0.07","91.66","0.08","108.35","0.07","595.7","0.5","133","2","133","2","","","","","","","","5","P -1","-P 1","2","4-Carboxylato-phenylboronic acid cobalt(II) hexahydrate","","","- C14 H32 B2 Co O18 -","- C14 H32 B2 Co O18 -","- C14 H32 B2 Co O18 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052100h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300746","6.862","0.002","9.705","0.003","9.806","0.003","98.33","0.05","92.21","0.05","108.22","0.05","611.3","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","4-Carboxylato-phenylboronic acid manganese(II) hexahydrate","","","- C14 H32 B2 Mn O18 -","- C14 H32 B2 Mn O18 -","- C14 H32 B2 Mn O18 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052100h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300747","6.781","0.002","9.572","0.003","9.824","0.003","97.89","0.04","92.05","0.05","108.55","0.04","596.7","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","4-Carboxylato-phenylboronic acid nickel(II) hexahydrate","","","- C14 H32 B2 Ni O18 -","- C14 H32 B2 Ni O18 -","- C14 H32 B2 Ni O18 -","1","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052100h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300748","19.478","0.005","16.672","0.004","22.781","0.006","90","","93.23","0.05","90","","7386","3","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4-Carboxylato phenylboronic acid bis-aqua-bis-(1,2-bis(4-pyridyl) ethane Co(II)","","","- C38 H33 B2 Co N4 O10 -","- C38 H33 B2 Co N4 O10 -","- C304 H264 B16 Co8 N32 O80 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052100h","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300749","9.1569","0.0011","31.76","0.004","8.2462","0.0009","90","","99.38","0.003","90","","2366.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cu2 I2 N3 -","- C24 H17 Cu2 I2 N3 -","- C96 H68 Cu8 I8 N12 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052123w","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4300750","9.8372","0.0005","11.97","0.0006","15.8616","0.0008","75.471","0.002","86.569","0.002","67.827","0.002","1673.03","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cu2 I2 N4 -","- C15 H10 Cu2 I2 N4 -","- C60 H40 Cu8 I8 N16 -","4","2","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052123w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300751","12.7321","0.0009","20.865","0.002","29.018","0.003","98.802","0.003","94.962","0.004","96.489","0.003","7527","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- H67 K14 O148.5 Si3 W30 Zr6 -","- K10 O148.5 Si3 W30 Zr6 -","- K20 O297 Si6 W60 Zr12 -","2","1","","Bassil, Bassem S.; Dickman, Michael H.; Kortz, Ulrich","Synthesis and Structure of Asymmetric Zirconium-Substituted Silicotungstates, [Zr~6~O~2~(OH)~4~(H~2~O)~3~(β-SiW~10~O~37~)~3~]^14-^ and [Zr~4~O~2~(OH)~2~(H~2~O)~4~(β-SiW~10~O~37~)~2~]^10-^","Inorganic Chemistry","2006","45","6","2394","2396","10.1021/ic052131c","","","","","","","","","","","","","","","","","","","","","has coordinates","210952","2020-10-21","18:00:00",""
"4300752","39.789","0.002","19.7049","0.0008","12.9402","0.0004","90","","90","","90","","10145.6","0.7","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- H54 K10 O104 Si2 W20 Zr4 -","- K10 O104 Si2 W20 Zr4 -","- K40 O416 Si8 W80 Zr16 -","4","1","","Bassil, Bassem S.; Dickman, Michael H.; Kortz, Ulrich","Synthesis and Structure of Asymmetric Zirconium-Substituted Silicotungstates, [Zr~6~O~2~(OH)~4~(H~2~O)~3~(β-SiW~10~O~37~)~3~]^14-^ and [Zr~4~O~2~(OH)~2~(H~2~O)~4~(β-SiW~10~O~37~)~2~]^10-^","Inorganic Chemistry","2006","45","6","2394","2396","10.1021/ic052131c","","","","","","","","","","","","","","","","","","","","","has coordinates","210952","2020-10-21","18:00:00",""
"4300753","16.23","0.005","17.229","0.005","17.339","0.005","106.76","0.005","92.809","0.005","108.004","0.005","4364","2","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H78 Cl4 Co4 N16 O36 -","- C76 H78 Cl4 Co4 N16 O36 -","- C152 H156 Cl8 Co8 N32 O72 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0521325","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300754","8.252","0.005","9.846","0.005","15.243","0.005","78.662","0.005","80.16","0.005","84.412","0.005","1193.8","1","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl Co N4 O11 -","- C20 H22 Cl Co N4 O11.014 -","- C40 H44 Cl2 Co2 N8 O22.028 -","2","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0521325","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300755","23","0.005","12.792","0.005","15.931","0.005","90","","102.896","0.005","90","","4569","2","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl Co N4 O8 -","- C21 H22 Cl Co N4 O8 -","- C168 H176 Cl8 Co8 N32 O64 -","8","2","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0521325","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179045","2020-10-21","18:00:00",""
"4300756","8.065","0.005","13.63","0.005","21.909","0.005","79.876","0.005","80.864","0.005","79.566","0.005","2311.5","1.7","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cl Co N4 O7 -","- C22 H24 Cl Co N4 O7 -","- C88 H96 Cl4 Co4 N16 O28 -","4","2","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0521325","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300757","10.7337","0.0003","12.8604","0.0003","7.8919","0.0002","90","","104.91","0.02","90","","1052.71","0.04","","","","","","","","","","","","6","P 1 2/c 1","","","","","","- C8 H28 N2 O16 P4 Zr -","- C8 N2 O16 P4 Zr -","- C16 N4 O32 P8 Zr2 -","2","0.5","","","New architectures for zirconium polyphosphonates with a tailor-made open framework structure;","Inorganic Chemistry","2006","","","","","10.1021/ic052146a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300758","18.923","0.001","16.5046","0.0007","7.8437","0.0003","90","","91.868","0.003","90","","2448.46","0.05","","","","","","","","","","","","7","C 1 2/c 1","","","","","","- C10 H32 N2 Na2 O17 P4 Zr -","- C10 N2 Na2 O17 P4 Zr -","- C40 N8 Na8 O68 P16 Zr4 -","4","0.5","","","New architectures for zirconium polyphosphonates with a tailor-made open framework structure;","Inorganic Chemistry","2006","","","","","10.1021/ic052146a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327264","7.384719","0.000021","7.384719","","7.384719","","90","","90","","90","","402.719","0.0011","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu2.5 Na O12 Ti4.5 -","- Cu2.49999 Na O12 Ti4.50001 -","- Cu4.99998 Na2 O24 Ti9.00002 -","2","0.0416667","","Maxim Avdeev; Vladimir B. Nalbandyan","New Cubic Perovskite Na(Cu2.5Ti0.5)Ti4O12 with Square Planar Coordination of Ti4+","Inorganic Chemistry","2006","45","","2217","2220","10.1021/ic051413+","powder diffraction","","","","","","","","","","","","","1.7","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327265","8.912","0.003","20.527","0.007","18.68","0.006","90","","92.498","0.006","90","","3414","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 F18 N8 O2 P3 Ru -","- C21 H31 F18 N8 O2 P3 Ru -","- C84 H124 F72 N32 O8 P12 Ru4 -","4","1","","Benjamin J. Coe; Josephine L. Harries; Madeleine Helliwell; Bruce S. Brunschwig; James A. Harris; Inge Asselberghs; Sheng-Ting Hung; Koen Clays; Peter N. Horton; Michael B. Hursthouse","Syntheses and Quadratic Optical Nonlinearities of Ruthenium(II) Complexes with Ethynyl-Connected N-Methylpyridinium Electron Acceptors","Inorganic Chemistry","2006","45","","1215","1227","10.1021/ic051816+","","","0.71073","MoKα","","0.0993","0.063","","","0.1513","0.1664","","","","","","1.049","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327266","34.075","0.007","9.3403","0.0019","32.136","0.006","90","","102.73","0.03","90","","9977","4","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 As4 Cl F6 N2 P Ru -","- C40 H44 As4 Cl F6 N2 P Ru -","- C320 H352 As32 Cl8 F48 N16 P8 Ru8 -","8","1","","Benjamin J. Coe; Josephine L. Harries; Madeleine Helliwell; Bruce S. Brunschwig; James A. Harris; Inge Asselberghs; Sheng-Ting Hung; Koen Clays; Peter N. Horton; Michael B. Hursthouse","Syntheses and Quadratic Optical Nonlinearities of Ruthenium(II) Complexes with Ethynyl-Connected N-Methylpyridinium Electron Acceptors","Inorganic Chemistry","2006","45","","1215","1227","10.1021/ic051816+","","","0.71073","MoKα","","0.2359","0.1333","","","0.3419","0.3956","","","","","","1.251","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327267","10.4282","0.0016","6.4356","0.0009","14.875","0.003","90","","105.027","0.002","90","","964.1","0.3","153.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N O6 -","- C19 H27 N O6 -","- C38 H54 N2 O12 -","2","1","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.0336","","","","0.0861","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327268","6.4406","0.0002","14.9072","0.0005","42.412","0.001","90","","90","","90","","4072","0.2","153.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H56 Cu3 N2 O14 -","- C40 H56 Cu3 N2 O14 -","- C160 H224 Cu12 N8 O56 -","4","1","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.04","","","","0.05","","","","","","0.409","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327269","8.0205","0.0004","11.3239","0.0007","13.2253","0.0002","72.587","0.011","76.155","0.012","81.713","0.014","1109.41","0.12","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C42 H60 Cu3 N2 O14 -","- C42 H60 Cu3 N2 O14 -","- C42 H60 Cu3 N2 O14 -","1","1","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.0678","","","","0.0735","","","","","","0.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327270","7.9542","0.0002","11.3439","0.0005","15.2227","0.0005","78.269","0.008","75.176","0.007","80.948","0.009","1292.04","0.1","153.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C45 H65 Cl3 Cu3 N2 O14 -","- C45 H57 Cl3 Cu3 N2 O14 -","- C45 H57 Cl3 Cu3 N2 O14 -","1","1","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.0705","","","","0.0909","","","","","","1.384","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327271","8.3126","0.0011","11.754","0.0016","13.3421","0.0019","107.902","0.004","101.114","0.005","93.751","0.004","1206.3","0.3","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C46 H68 Cu3 N2 O14 -","- C46 H68 Cu3 N2 O14 -","- C46 H68 Cu3 N2 O14 -","1","1","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.0567","","","","0.0657","","","","","","0.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327272","12.782","0.008","14.869","0.009","17.617","0.01","110.769","0.004","98.5016","0.0017","109.585","0.007","2811","3","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C54 H84 Cu3 N2 O14 -","- C54 H84 Cu3 N2 O14 -","- C108 H168 Cu6 N4 O28 -","2","2","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.0617","","","","0.0745","","","","","","1.221","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327273","8.1487","0.0001","12.2359","0.0001","16.9972","0.0003","72.113","0.008","78.973","0.009","65.529","0.006","1463.92","0.1","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C56 H88 Cu3 N2 O18 -","- C56 H86 Cu3 N2 O18 -","- C56 H86 Cu3 N2 O18 -","1","1","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.047","","","","0.056","","","","","","0.788","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327274","12.7676","0.0013","16.6577","0.0014","22.081","0.002","90","","100.419","0.0016","90","","4618.7","0.7","153.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H110 Cl6 Cu4 N6 O25 -","- C82 H99 Cl6 Cu4 N6 O25 -","- C164 H198 Cl12 Cu8 N12 O50 -","2","1","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.0604","","","","0.0734","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327275","21.081","0.003","21.081","0.003","10.4954","0.0015","90","","90","","120","","4039.4","1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H27 N3 Nd O12 P3 -","- C21 H27 N3 Nd O12 P3 -","- C126 H162 N18 Nd6 O72 P18 -","6","0.333333","","Xin-min Gan; Brian M. Rapko; Jesse Fox; Iris Binyamin; Sylvie Pailloux; Eileen N. Duesler; Robert T. Paine","A Three-Dimensional Framework Structure Constructed from 2-(2-Pyridyl-N-oxide) Ethylphosphonic Acid and Nd(III)","Inorganic Chemistry","2006","45","","3741","3745","10.1021/ic051937+","","","0.71073","MoKα","","0.0194","0.0165","","0.0417","","0.041","","","1.053","","","1.105","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327276","7.245","0.003","8.766","0.003","13.899","0.005","94.88","0.02","94.85","0.02","96.83","0.02","869.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 N O4 P -","- C7 H10 N O4 P -","- C28 H40 N4 O16 P4 -","4","2","","Xin-min Gan; Brian M. Rapko; Jesse Fox; Iris Binyamin; Sylvie Pailloux; Eileen N. Duesler; Robert T. Paine","A Three-Dimensional Framework Structure Constructed from 2-(2-Pyridyl-N-oxide) Ethylphosphonic Acid and Nd(III)","Inorganic Chemistry","2006","45","","3741","3745","10.1021/ic051937+","","","0.71073","MoKα","","0.0516","0.0412","","0.107","0.1039","","","","1.197","1.329","1.329","","","","","has coordinates","276329","2022-06-28","14:44:38",""
"4327277","17.358","0.004","17.588","0.004","23.239","0.005","75.79","0.03","78.78","0.03","88.31","0.03","6745","3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","[Cu2((BzCN)3tacn)(u-OH)](ClO4)2(H2O)2","bis(1,4,7-tris-(3-tolunitrile)-1,4,7-triazacyclononane)-bis -(u2- hydroxo)-dicopper(II)-diperchlorate monohydrate dihydrate","","- C248 H263 Cl8 Cu8 N52 O49 -","- C248 H262.72 Cl8 Cu8 N52 O49 -","- C248 H262.72 Cl8 Cu8 N52 O49 -","1","0.5","","Matthew J. Belousoff; Martin B. Duriska; Bim Graham; Stuart R. Batten; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia","Synthesis, X-ray Crystal Structures, Magnetism, and Phosphate Ester Cleavage Properties of Copper(II) Complexes of N-Substituted Derivatives of 1,4,7-Triazacyclononane","Inorganic Chemistry","2006","45","","3746","3755","10.1021/ic051983+","","","0.71073","MoKα","","0.1265","0.068","","","0.1686","0.1992","","","","","","1.018","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327278","9.975","0.002","8.0632","0.0016","13.679","0.003","90","","90","","90","","1100.2","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N,N'-bis(2-chloroacetyl)-N,N'-dimethylethylenediamine","N,N'-bis(2-chloroacetyl)-N,N'-dimethylethylenediamine","","- C4 H7 Cl N O -","- C4 H7 Cl N O -","- C32 H56 Cl8 N8 O8 -","8","1","","Matthew J. Belousoff; Martin B. Duriska; Bim Graham; Stuart R. Batten; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia","Synthesis, X-ray Crystal Structures, Magnetism, and Phosphate Ester Cleavage Properties of Copper(II) Complexes of N-Substituted Derivatives of 1,4,7-Triazacyclononane","Inorganic Chemistry","2006","45","","3746","3755","10.1021/ic051983+","","","0.71073","MoKα","","0.0843","0.0464","","","0.0797","0.0932","","","","","","1.058","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327279","8.0961","0.0016","14.084","0.003","12","0.002","90","","96.04","0.03","90","","1360.7","0.5","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu2(Me2tacn)(u-OH)2](ClO4)2","bis(1,4-dimethyl-1,4,7-triazacyclononane)-bis- (u2-hydroxo)-dicopper(II)-diperchlorate","","- C16 H40 Cl2 Cu2 N6 O10 -","- C16 H40 Cl2 Cu2 N6 O10 -","- C32 H80 Cl4 Cu4 N12 O20 -","2","0.5","","Matthew J. Belousoff; Martin B. Duriska; Bim Graham; Stuart R. Batten; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia","Synthesis, X-ray Crystal Structures, Magnetism, and Phosphate Ester Cleavage Properties of Copper(II) Complexes of N-Substituted Derivatives of 1,4,7-Triazacyclononane","Inorganic Chemistry","2006","45","","3746","3755","10.1021/ic051983+","","","0.71073","MoKα","","0.0761","0.0477","","","0.1052","0.1165","","","","","","1.028","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327280","10.748","0.002","16.733","0.003","20.725","0.004","90","","96.39","0.03","90","","3704.2","1.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cu2-(Me2Bztacn)2(ClO4)2","bis(1,4-dimethyl-1,4,7-triazacyclononane)- bis-(u2-hydroxo)-dicopper(II)-diperchlorate","","- C30 H54 Cl2 Cu2 N6 O11 -","- C30 H54 Cl2 Cu2 N6 O11 -","- C120 H216 Cl8 Cu8 N24 O44 -","4","1","","Matthew J. Belousoff; Martin B. Duriska; Bim Graham; Stuart R. Batten; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia","Synthesis, X-ray Crystal Structures, Magnetism, and Phosphate Ester Cleavage Properties of Copper(II) Complexes of N-Substituted Derivatives of 1,4,7-Triazacyclononane","Inorganic Chemistry","2006","45","","3746","3755","10.1021/ic051983+","","","0.71073","MoKα","","0.116","0.0701","","","0.0906","0.1","","","","","","1.085","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327281","14.9077","0.0008","23.3417","0.0013","24.8313","0.0015","90","","91.337","0.001","90","","8638.2","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H84 Ag11 I3 O12 P6 Se13 -","- C36 Ag11 I3 O12 P6 Se13 -","- C144 Ag44 I12 O48 P24 Se52 -","4","1","","C. W. Liu; Iu-Jie Shang; Rei-Jen Fu; Ben-Jie Liaw; Ju-Chun Wang; I-Jy Chang","Selenium-Centered, Undecanuclear Silver Cages Surrounded by Iodo and Dialkyldiselenophosphato Ligands. Syntheses, Structures, and Photophysical Properties","Inorganic Chemistry","2006","45","","2335","2340","10.1021/ic052015+","","","0.71073","MoKα","","0.0985","0.0657","","","0.1236","0.1417","","","","","","1.055","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327282","23.398","0.007","14.386","0.004","30.173","0.009","90","","99.347","0.004","90","","10021","5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H108 Ag11 I3 O12 P6 Se13 -","- C48 H108 Ag11 I3 O12 P6 Se13 -","- C192 H432 Ag44 I12 O48 P24 Se52 -","4","1","","C. W. Liu; Iu-Jie Shang; Rei-Jen Fu; Ben-Jie Liaw; Ju-Chun Wang; I-Jy Chang","Selenium-Centered, Undecanuclear Silver Cages Surrounded by Iodo and Dialkyldiselenophosphato Ligands. Syntheses, Structures, and Photophysical Properties","Inorganic Chemistry","2006","45","","2335","2340","10.1021/ic052015+","","","0.71073","MoKα","","0.2007","0.0562","","","0.1448","0.1575","","","","","","1.049","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327283","41.313","0.005","10.2832","0.0012","17.732","0.002","90","","107.267","0.002","90","","7193.6","1.5","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","holjs107","","","- C41 H47 Fe N2 -","- C37 H47 Fe N2 -","- C296 H376 Fe8 N16 -","8","1","","Ying Yu; Jeremy M. Smith; Christine J. Flaschenriem; Patrick L. Holland","Binding Affinity of Alkynes and Alkenes to Low-Coordinate Iron","Inorganic Chemistry","2006","45","","5742","5751","10.1021/ic052136+","","","0.71073","MoKα","","0.0699","0.0426","","","0.1088","0.1165","","","","","","1.04","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327284","17.12","0.002","17.11","0.002","23.544","0.003","90","","103.72","0.002","90","","6699.8","1.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","holph18","","","- C35 H51 Fe N2 -","- C35 H51 Fe N2 -","- C280 H408 Fe8 N16 -","8","2","","Ying Yu; Jeremy M. Smith; Christine J. Flaschenriem; Patrick L. Holland","Binding Affinity of Alkynes and Alkenes to Low-Coordinate Iron","Inorganic Chemistry","2006","45","","5742","5751","10.1021/ic052136+","","","0.71073","MoKα","","0.077","0.0574","","","0.1253","0.1343","","","","","","1.077","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327285","13.3997","0.0004","20.5608","0.0007","13.7746","0.0005","90","","110.356","0.001","90","","3558","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HOLYY17","","","- C37 H49 Fe N2 -","- C37 H49 Fe N2 -","- C148 H196 Fe4 N8 -","4","1","","Ying Yu; Jeremy M. Smith; Christine J. Flaschenriem; Patrick L. Holland","Binding Affinity of Alkynes and Alkenes to Low-Coordinate Iron","Inorganic Chemistry","2006","45","","5742","5751","10.1021/ic052136+","","","0.71073","MoKα","","0.0959","0.0763","","","0.2023","0.2133","","","","","","1.131","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327286","34.8961","0.001","11.0547","0.0003","20.7338","0.0006","90","","122.58","","90","","6739.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","HOLYY11","","","- C35 H53 Fe N2 -","- C35 H53 Fe N2 -","- C280 H424 Fe8 N16 -","8","1","","Ying Yu; Jeremy M. Smith; Christine J. Flaschenriem; Patrick L. Holland","Binding Affinity of Alkynes and Alkenes to Low-Coordinate Iron","Inorganic Chemistry","2006","45","","5742","5751","10.1021/ic052136+","","","0.71073","MoKα","","0.0597","0.0458","","","0.1215","0.1285","","","","","","1.044","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327287","11.305","0.002","12.171","0.002","16.957","0.003","105.996","0.003","96.263","0.003","115.318","0.003","1957","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H28 Ir2 N4 O4 -","- C48 H28 Ir2 N4 O4 -","- C96 H56 Ir4 N8 O8 -","2","1","","Motoki Toganoh; Jo Konagawa; Hiroyuki Furuta","Bis[iridium(I)] Complex of Inverted N-Confused Porphyrin","Inorganic Chemistry","2006","45","","3852","3854","10.1021/ic060203+","","","0.7107","MoKα","","0.0727","0.0485","","","0.1191","0.1291","","","","","","0.935","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327288","8.3385","0.0003","20.9434","0.0006","26.3109","0.0009","90","","90","","90","","4594.8","0.3","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Mo N3 O3 -","- C27 H23 Mo N3 O3 -","- C216 H184 Mo8 N24 O24 -","8","1","","Martin Minelli; Frances Namuswe; Daniel Jeffrey; Amy L. Morrow; Ilia A. Guzei; Dale Swenson; Eberhard Bothe; Thomas Weyhermüller","Synthesis, Structure, and Characterization of Molybdenum(VI) Imido Complexes with N-Salicylidene-2-aminophenol","Inorganic Chemistry","2006","45","","5455","5464","10.1021/ic060370+","","","0.71073","MoKα","","0.0604","0.0451","","","0.0846","0.0887","","","","","","1.257","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327289","8.545","0.0011","16.939","0.002","16.75","0.002","90","","101.838","0.002","90","","2372.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Mo N3 O3 -","- C28 H25 Mo N3 O3 -","- C112 H100 Mo4 N12 O12 -","4","1","","Martin Minelli; Frances Namuswe; Daniel Jeffrey; Amy L. Morrow; Ilia A. Guzei; Dale Swenson; Eberhard Bothe; Thomas Weyhermüller","Synthesis, Structure, and Characterization of Molybdenum(VI) Imido Complexes with N-Salicylidene-2-aminophenol","Inorganic Chemistry","2006","45","","5455","5464","10.1021/ic060370+","","","0.71073","MoKα","","0.0402","0.037","","","0.0883","0.0899","","","","","","1.132","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327290","12.631","0.0014","17.211","0.002","24.356","0.003","90","","90","","90","","5294.8","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29.5 H28 Cl Mo N3 O3 -","- C29.5 H28 Cl Mo N3 O3 -","- C236 H224 Cl8 Mo8 N24 O24 -","8","1","","Martin Minelli; Frances Namuswe; Daniel Jeffrey; Amy L. Morrow; Ilia A. Guzei; Dale Swenson; Eberhard Bothe; Thomas Weyhermüller","Synthesis, Structure, and Characterization of Molybdenum(VI) Imido Complexes with N-Salicylidene-2-aminophenol","Inorganic Chemistry","2006","45","","5455","5464","10.1021/ic060370+","","","0.71073","Mo-Kα","","0.0349","0.0299","","","0.0744","0.0774","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327291","8.2851","0.0002","17.1205","0.0005","17.5495","0.0005","90","","99.822","0.005","90","","2452.82","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Mo N3 O2 S -","- C28 H25 Mo N3 O2 S -","- C112 H100 Mo4 N12 O8 S4 -","4","1","","Martin Minelli; Frances Namuswe; Daniel Jeffrey; Amy L. Morrow; Ilia A. Guzei; Dale Swenson; Eberhard Bothe; Thomas Weyhermüller","Synthesis, Structure, and Characterization of Molybdenum(VI) Imido Complexes with N-Salicylidene-2-aminophenol","Inorganic Chemistry","2006","45","","5455","5464","10.1021/ic060370+","","","0.71073","MoKα","","0.0496","0.0383","","","0.0836","0.089","","","","","","1.057","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327292","13.9504","0.0005","9.9723","0.0003","17.1114","0.0006","90","","90.256","0.005","90","","2380.47","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Mo N2 O4 -","- C28 H24 Mo N2 O4 -","- C112 H96 Mo4 N8 O16 -","4","1","","Martin Minelli; Frances Namuswe; Daniel Jeffrey; Amy L. Morrow; Ilia A. Guzei; Dale Swenson; Eberhard Bothe; Thomas Weyhermüller","Synthesis, Structure, and Characterization of Molybdenum(VI) Imido Complexes with N-Salicylidene-2-aminophenol","Inorganic Chemistry","2006","45","","5455","5464","10.1021/ic060370+","","","0.71073","MoKα","","0.0368","0.0309","","","0.0672","0.0695","","","","","","1.12","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327293","14.21","0.0007","9.9737","0.0004","18.9907","0.0009","90","","101.339","0.005","90","","2638.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Mo N2 O4 -","- C32 H26 Mo N2 O4 -","- C128 H104 Mo4 N8 O16 -","4","1","","Martin Minelli; Frances Namuswe; Daniel Jeffrey; Amy L. Morrow; Ilia A. Guzei; Dale Swenson; Eberhard Bothe; Thomas Weyhermüller","Synthesis, Structure, and Characterization of Molybdenum(VI) Imido Complexes with N-Salicylidene-2-aminophenol","Inorganic Chemistry","2006","45","","5455","5464","10.1021/ic060370+","","","0.71073","MoKα","","0.0726","0.0434","","","0.0729","0.081","","","","","","1.057","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327294","10.2268","0.0007","10.552","0.0008","13.05","0.0011","74.123","0.004","67.455","0.004","75.855","0.005","1235.51","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Mo N2 O2 S2 -","- C28 H24 Mo N2 O2 S2 -","- C56 H48 Mo2 N4 O4 S4 -","2","1","","Martin Minelli; Frances Namuswe; Daniel Jeffrey; Amy L. Morrow; Ilia A. Guzei; Dale Swenson; Eberhard Bothe; Thomas Weyhermüller","Synthesis, Structure, and Characterization of Molybdenum(VI) Imido Complexes with N-Salicylidene-2-aminophenol","Inorganic Chemistry","2006","45","","5455","5464","10.1021/ic060370+","","","0.71073","MoKα","","0.0692","0.0417","","","0.0699","0.0781","","","","","","1.033","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327295","8.8469","0.0005","12.7485","0.0007","25.1199","0.0014","90","","99.995","0.005","90","","2790.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 Mo N4 O3 -","- C31 H32 Mo N4 O3 -","- C124 H128 Mo4 N16 O12 -","4","1","","Martin Minelli; Frances Namuswe; Daniel Jeffrey; Amy L. Morrow; Ilia A. Guzei; Dale Swenson; Eberhard Bothe; Thomas Weyhermüller","Synthesis, Structure, and Characterization of Molybdenum(VI) Imido Complexes with N-Salicylidene-2-aminophenol","Inorganic Chemistry","2006","45","","5455","5464","10.1021/ic060370+","","","0.71073","MoKα","","0.0765","0.0544","","","0.1391","0.151","","","","","","1.065","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327296","11.4839","0.0006","6.7543","0.0004","17.5715","0.0009","90","","92.878","0.005","90","","1361.23","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Mo N O5 -","- C14 H13 Mo N O5 -","- C56 H52 Mo4 N4 O20 -","4","1","","Martin Minelli; Frances Namuswe; Daniel Jeffrey; Amy L. Morrow; Ilia A. Guzei; Dale Swenson; Eberhard Bothe; Thomas Weyhermüller","Synthesis, Structure, and Characterization of Molybdenum(VI) Imido Complexes with N-Salicylidene-2-aminophenol","Inorganic Chemistry","2006","45","","5455","5464","10.1021/ic060370+","","","0.71073","MoKα","","0.0444","0.0326","","","0.0692","0.0736","","","","","","1.069","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327297","16.464","0.008","13.222","0.007","17.357","0.012","90","","114.51","0.02","90","","3438","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H104 Mo8 N12 O70 P8 -","- C6 H8 Mo8 O69 P8 -","- C12 H16 Mo16 O138 P16 -","2","0.5","","Anne Dolbecq; Laurent Lisnard; Pierre Mialane; Jérôme Marrot; Marc Bénard; Marie-Madeleine Rohmer; Francis Sécheresse","Synthesis and Characterization of Octa- and Hexanuclear Polyoxomolybdate Wheels: Role of the Inorganic Template and of the Counterion","Inorganic Chemistry","2006","45","","5898","5910","10.1021/ic060410+","","","0.71073","MoKα","","0.0906","0.0689","","","0.1739","0.1956","","","","","","1.027","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327298","14.439","0.001","16.3333","0.0009","16.6096","0.0011","82.917","0.003","88.179","0.003","79.074","0.003","3816.6","0.4","373","2","373","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H108 Mo8 N12 O72 P8 S2 -","- C4 H8 Mo8 O78.5 P8 S2 -","- C8 H16 Mo16 O157 P16 S4 -","2","1","","Anne Dolbecq; Laurent Lisnard; Pierre Mialane; Jérôme Marrot; Marc Bénard; Marie-Madeleine Rohmer; Francis Sécheresse","Synthesis and Characterization of Octa- and Hexanuclear Polyoxomolybdate Wheels: Role of the Inorganic Template and of the Counterion","Inorganic Chemistry","2006","45","","5898","5910","10.1021/ic060410+","","","0.71073","MoKα","","0.0749","0.0528","","","0.1564","0.1751","","","","","","1.131","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327299","13.4897","0.0002","13.7119","0.0002","17.9603","0.0001","73.936","0.001","77.086","0.001","64.9","0.001","2869.36","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H80 Mo6 N10 O55 P8 -","- C4 H8 Mo6 O58.5 P8 -","- C8 H16 Mo12 O117 P16 -","2","1","","Anne Dolbecq; Laurent Lisnard; Pierre Mialane; Jérôme Marrot; Marc Bénard; Marie-Madeleine Rohmer; Francis Sécheresse","Synthesis and Characterization of Octa- and Hexanuclear Polyoxomolybdate Wheels: Role of the Inorganic Template and of the Counterion","Inorganic Chemistry","2006","45","","5898","5910","10.1021/ic060410+","","","0.71073","MoKα","","0.114","0.0768","","","0.1983","0.214","","","","","","1.154","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327300","13.422","0.003","16.3292","0.0017","18.598","0.002","90","","102.214","0.011","90","","3983.9","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H84 Li12 Mo8 N2 O83 P12 -","- C6 H22 Li12 Mo8 N2 O74 P12 -","- C12 H44 Li24 Mo16 N4 O148 P24 -","2","0.5","","Anne Dolbecq; Laurent Lisnard; Pierre Mialane; Jérôme Marrot; Marc Bénard; Marie-Madeleine Rohmer; Francis Sécheresse","Synthesis and Characterization of Octa- and Hexanuclear Polyoxomolybdate Wheels: Role of the Inorganic Template and of the Counterion","Inorganic Chemistry","2006","45","","5898","5910","10.1021/ic060410+","","","0.71073","MoKα","","0.051","0.0453","","","0.1342","0.1406","","","","","","0.948","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327301","11.6173","0.0005","13.3978","0.0006","13.6621","0.0006","75.507","0.001","72.349","0.001","85.182","0.001","1961.79","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H86 Mo8 Na12 O85 P8 S2 -","- C4 H8 Mo8 Na12 O78 P8 S2 -","- C4 H8 Mo8 Na12 O78 P8 S2 -","1","0.5","","Anne Dolbecq; Laurent Lisnard; Pierre Mialane; Jérôme Marrot; Marc Bénard; Marie-Madeleine Rohmer; Francis Sécheresse","Synthesis and Characterization of Octa- and Hexanuclear Polyoxomolybdate Wheels: Role of the Inorganic Template and of the Counterion","Inorganic Chemistry","2006","45","","5898","5910","10.1021/ic060410+","","","0.71073","MoKα","","0.0634","0.0433","","","0.1039","0.115","","","","","","1.073","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327302","11.8591","0.0001","11.9812","0.0001","16.0452","0.0002","101.2","0.001","107.477","0.001","108.067","0.001","1960.79","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H82 Li14 Mo8 O86 P12 -","- C6 H12 Li12 Mo8 O82 P12 -","- C6 H12 Li12 Mo8 O82 P12 -","1","0.5","","Anne Dolbecq; Laurent Lisnard; Pierre Mialane; Jérôme Marrot; Marc Bénard; Marie-Madeleine Rohmer; Francis Sécheresse","Synthesis and Characterization of Octa- and Hexanuclear Polyoxomolybdate Wheels: Role of the Inorganic Template and of the Counterion","Inorganic Chemistry","2006","45","","5898","5910","10.1021/ic060410+","","","0.71073","MoKα","","0.0629","0.0528","","","0.1359","0.144","","","","","","1.103","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327303","9.6783","0.0002","14.2098","0.0002","14.3744","0.0002","95.289","0.001","95.533","0.001","96.213","0.001","1945.55","0.06","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C4 H104 Mo8 N10 Na2 O74 P8 S2 -","- C4 H8 Mo8 Na2 O70 P8 S2 -","- C4 H8 Mo8 Na2 O70 P8 S2 -","1","0.5","","Anne Dolbecq; Laurent Lisnard; Pierre Mialane; Jérôme Marrot; Marc Bénard; Marie-Madeleine Rohmer; Francis Sécheresse","Synthesis and Characterization of Octa- and Hexanuclear Polyoxomolybdate Wheels: Role of the Inorganic Template and of the Counterion","Inorganic Chemistry","2006","45","","5898","5910","10.1021/ic060410+","","","0.71073","MoKα","","0.1127","0.0755","","","0.1902","0.2153","","","","","","1.086","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327304","13.7096","0.0002","14.2642","0.0002","17.4993","0.0003","101.401","0.001","104.101","0.001","108.799","0.001","2996.41","0.09","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C4 H62 Cl Li9 Mo6 N2 O62 P8 -","- C4 H10 Cl Li9 Mo6 N1.5 O57.5 P8 -","- C8 H20 Cl2 Li18 Mo12 N3 O115 P16 -","2","1","","Anne Dolbecq; Laurent Lisnard; Pierre Mialane; Jérôme Marrot; Marc Bénard; Marie-Madeleine Rohmer; Francis Sécheresse","Synthesis and Characterization of Octa- and Hexanuclear Polyoxomolybdate Wheels: Role of the Inorganic Template and of the Counterion","Inorganic Chemistry","2006","45","","5898","5910","10.1021/ic060410+","","","0.71073","MoKα","","0.0944","0.0614","","","0.1543","0.1792","","","","","","1.068","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327305","8.1859","0.0009","26.853","0.003","16.8859","0.0018","90","","95.351","0.002","90","","3695.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Gd N11 Ni2 O15 -","- C30 H20 Gd N11 Ni2 O15 -","- C120 H80 Gd4 N44 Ni8 O60 -","4","1","","Fu-Chen Liu; Yong-Fei Zeng; Jiao Jiao; Jian-Rong Li; Xian-He Bu; Joan Ribas; Stuart R. Batten","Novel Heterometallic 3d-4f Metal-Azido Complex of Mixed Ligands with Unprecedented Structure Type: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2006","45","","6129","6131","10.1021/ic060773+","","","0.71073","MoKα","","0.0315","0.0283","","","0.0789","0.0807","","","","","","1.064","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327306","10.991","0.0002","9.271","0.0002","12.335","0.0002","90","","100.976","0.001","90","","1233.91","0.04","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 O10 Ti2 -","- C20 H42 O10 Ti2 -","- C40 H84 O20 Ti4 -","2","0.5","","Christopher J. Chuck; Matthew G. Davidson; Matthew D. Jones; Gabriele Kociok-Köhn; Matthew D. Lunn; Stephen Wu","Air-Stable Titanium Alkoxide Based Metal-Organic Framework as an Initiator for Ring-Opening Polymerization of Cyclic Esters","Inorganic Chemistry","2006","45","","6595","6597","10.1021/ic060969+","","","0.71073","MoKα","","0.0328","0.0286","","","0.0764","0.0787","","","","","","1.083","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327307","9.149","0.0001","16.139","0.0001","29.014","0.0003","90","","90","","90","","4284.08","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H68 O16 Ti3 -","- C32 H68 O16 Ti3 -","- C128 H272 O64 Ti12 -","4","1","","Christopher J. Chuck; Matthew G. Davidson; Matthew D. Jones; Gabriele Kociok-Köhn; Matthew D. Lunn; Stephen Wu","Air-Stable Titanium Alkoxide Based Metal-Organic Framework as an Initiator for Ring-Opening Polymerization of Cyclic Esters","Inorganic Chemistry","2006","45","","6595","6597","10.1021/ic060969+","","","0.71073","MoKα","","0.0481","0.0347","","","0.078","0.0842","","","","","","1.054","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327308","24.5701","0.0011","24.5701","0.0011","10.1453","0.0008","90","","90","","120","","5304.1","0.5","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","5","1,3,5-Tris[2'-((3,5-dimethylpyrazol-1-yl)methyl) phenyl]benzene","","- C42 H42 N6 -","- C42 H42 N6 -","- C252 H252 N36 -","6","0.333333","","Robert T. Stibrany; Chengmin Zhang; Thomas J. Emge; Harvey J. Schugar; Joseph A. Potenza; Spencer Knapp","A Tris(pyrazolyl) η6-Arene Ligand That Selects Cu(I) over Cu(II)","Inorganic Chemistry","2006","45","","9713","9720","10.1021/ic060980+","","","0.71073","MoKα","","0.0985","0.0769","","","0.127","0.1342","","","","","","1.295","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327309","12.7358","0.0004","12.7358","0.0004","44.271","0.003","90","","90","","120","","6218.7","0.5","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","[Cu^I^4(trif)]^.^C6 H14","[(1,3,5-Tris[2'-((pyrazol-1-yl)methyl) phenyl]benzene)copper(I)](trifluoromethanesulfonate) ^.^ hexane","","- C37 H30 Cu F3 N6 O3 S -","- C37 H30 Cu F3 N6 O3 S -","- C222 H180 Cu6 F18 N36 O18 S6 -","6","0.333333","","Robert T. Stibrany; Chengmin Zhang; Thomas J. Emge; Harvey J. Schugar; Joseph A. Potenza; Spencer Knapp","A Tris(pyrazolyl) η6-Arene Ligand That Selects Cu(I) over Cu(II)","Inorganic Chemistry","2006","45","","9713","9720","10.1021/ic060980+","","","0.71073","MoKα","","0.0613","0.0404","","","0.081","0.0869","","","","","","1","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327310","13.1505","0.0004","13.1505","0.0004","44.152","0.003","90","","90","","120","","6612.5","0.5","223","1","223","1","","","","","","","","7","R -3 :H","-R 3","148","[Ag^I^(trif)]^.^0.5(C3 H6 O)^.^0.5(C4 H10 O)","[(1,3,5-Tris[2'-((pyrazol-1-yl)methyl) phenyl]benzene)silver(I)](trifluoromethanesulfonate) ^.^ 0.5 acetone ^.^ 0.5 diethylether","","- C37 H30 Ag F3 N6 O3 S -","- C37 H30 Ag F3 N6 O3 S -","- C222 H180 Ag6 F18 N36 O18 S6 -","6","0.333333","","Robert T. Stibrany; Chengmin Zhang; Thomas J. Emge; Harvey J. Schugar; Joseph A. Potenza; Spencer Knapp","A Tris(pyrazolyl) η6-Arene Ligand That Selects Cu(I) over Cu(II)","Inorganic Chemistry","2006","45","","9713","9720","10.1021/ic060980+","","","0.71073","MoKα","","0.062","0.0564","","","0.157","0.1634","","","","","","1","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327311","8.6518","0.0004","14.9198","0.0007","13.5957","0.0007","90","","107.366","0.003","90","","1674.98","0.14","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cl4 Mn2 N10 O4 -","- C32 H24 Cl4 Mn2 N10 O4 -","- C64 H48 Cl8 Mn4 N20 O8 -","2","0.5","","Hyun Hee Ko; Jeong Hak Lim; Hyoung Chan Kim; Chang Seop Hong","Coexistence of Spin Canting and Metamagnetism in a One-Dimensional Mn(III) Complex Bridged by a Single End-to-End Azide","Inorganic Chemistry","2006","45","","8847","8849","10.1021/ic061415+","","","0.71073","MoKα","","0.0923","0.0498","","","0.0874","0.0983","","","","","","1.019","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327312","11.5082","0.0002","11.2664","0.0002","27.3565","0.0005","90","","90","","90","","3546.93","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Br2 Mn N5 O2 -","- C16 H12 Br2 Mn N5 O2 -","- C128 H96 Br16 Mn8 N40 O16 -","8","1","","Hyun Hee Ko; Jeong Hak Lim; Hyoung Chan Kim; Chang Seop Hong","Coexistence of Spin Canting and Metamagnetism in a One-Dimensional Mn(III) Complex Bridged by a Single End-to-End Azide","Inorganic Chemistry","2006","45","","8847","8849","10.1021/ic061415+","","","0.71073","MoKα","","0.0845","0.0387","","","0.0766","0.0937","","","","","","1","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4330534","4.977","","8.579","","7.975","","90","","90","","90","","340.514","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Strontium silver indium (1/0.8/1.2)","","- Ag0.8 In1.2 Sr -","- Ag0.8 In1.2 Sr -","- Ag3.2 In4.8 Sr4 -","4","0.25","","Dai, J.-C.; Corbett, J.D.","Substitution of Au or Hg into Ba Tl2 and Ba In2. New ternary examples of smaller Ce Cu2-type intermetallic phases","Inorganic Chemistry","2006","45","","2104","2111","10.1021/ic051891k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331415","4.966","","4.991","","5.035","","101.33","","90.691","","102.072","","119.472","","","","","","","","","","","","","3","P -1","-P 1","2","","O2 (Au F6)","","- Au F6 O2 -","- Au F6 O2 -","- Au F6 O2 -","1","0.5","","Hagenbach, A.; Drews, T.; Seppelt, K.; Supel, J.","Solid state molecular structures of transition metal hexafluorides","Inorganic Chemistry","2006","45","","3782","3788","10.1021/ic052029f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331416","5.104","","8.461","","8.58","","90","","90","","90","","370.527","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Ba Au0.36 In1.64","","- Au0.36 Ba In1.64 -","- Au0.36 Ba In1.64 -","- Au1.44 Ba4 In6.56 -","4","0.25","","Dai, J.-C.; Corbett, J.D.","Substitution of Au or Hg into Ba Tl2 and Ba In2. New ternary examples of smaller Ce Cu2-type intermetallic phases","Inorganic Chemistry","2006","45","","2104","2111","10.1021/ic051891k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331417","5.14","","8.317","","8.809","","90","","90","","90","","376.579","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Ba Au0.40 Tl1.60","","- Au0.4 Ba Tl1.6 -","- Au0.4 Ba Tl1.6 -","- Au1.6 Ba4 Tl6.4 -","4","0.25","","Corbett, J.D.; Dai, J.-C.","Substitution of Au or Hg into Ba Tl2 and Ba In2. New ternary examples of smaller Ce Cu2-type intermetallic phases","Inorganic Chemistry","2006","45","","2104","2111","10.1021/ic051891k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331515","35.268","0.009","10.22","0.001","23.539","0.006","90","","118.69","0.02","90","","7443","3","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H48 Cl2 N6 O4 Zn -","- C38 H48 Cl2 N6 O4 Zn -","- C304 H384 Cl16 N48 O32 Zn8 -","8","1","","Moore, Evan G.; Bernhardt, Paul V.; Riley, Mark J.; Smith, Trevor A.","Electronic Energy-Transfer Rate Constants for Geometrical Isomers of a Bichromophoric Macrocyclic Complex","Inorganic Chemistry","2006","45","1","51","58","10.1021/ic050396l","","x-ray","0.71073","MoKα","","0.4763","0.0762","","","0.1137","0.2146","","","","","","0.913","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331526","13.611","0.002","16.166","0.003","19.4501","0.0018","94.918","0.011","101.705","0.009","101.074","0.018","4077.9","1.1","299","2","299","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H38.5 N4.5 O2 P2 Rh S -","- C45 H38.5 N4.5 O2 P2 Rh S -","- C180 H154 N18 O8 P8 Rh4 S4 -","4","2","","Acharyya, Rama; Dutta, Swati; Basuli, Falguni; Peng, Shie-Ming; Lee, Gene-Hsiang; Falvello, Larry R.; Bhattacharya, Samaresh","Rhodium Assisted C−H Activation of Benzaldehyde Thiosemicarbazones and Their Oxidation via Activation of Molecular Oxygen","Inorganic Chemistry","2006","45","3","1252","1259","10.1021/ic050505w","","","0.71073","MoKα","","0.1058","0.0517","","","0.1124","0.1319","","","","","","1.05","","","","has coordinates","192201","2020-10-21","18:00:00",""
"4331527","40.8268","0.0009","10.2807","0.0002","23.8179","0.0005","90","","120.13","","90","","8646.3","0.3","295","2","295","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 Cl N4 O3 P2 Rh S -","- C46 H42 Cl N4 O3 P2 Rh S -","- C368 H336 Cl8 N32 O24 P16 Rh8 S8 -","8","1","","Acharyya, Rama; Dutta, Swati; Basuli, Falguni; Peng, Shie-Ming; Lee, Gene-Hsiang; Falvello, Larry R.; Bhattacharya, Samaresh","Rhodium Assisted C−H Activation of Benzaldehyde Thiosemicarbazones and Their Oxidation via Activation of Molecular Oxygen","Inorganic Chemistry","2006","45","3","1252","1259","10.1021/ic050505w","","","0.71073","MoKα","","0.0732","0.0371","","","0.086","0.0924","","","","","","1.016","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331528","23.8312","0.0013","17.1846","0.001","23.2866","0.0012","90","","120.433","0.002","90","","8222.6","0.8","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cl2 N3 P2 Rh S -","- C44 H36 Cl2 N3 P2 Rh S -","- C352 H288 Cl16 N24 P16 Rh8 S8 -","8","1","","Acharyya, Rama; Dutta, Swati; Basuli, Falguni; Peng, Shie-Ming; Lee, Gene-Hsiang; Falvello, Larry R.; Bhattacharya, Samaresh","Rhodium Assisted C−H Activation of Benzaldehyde Thiosemicarbazones and Their Oxidation via Activation of Molecular Oxygen","Inorganic Chemistry","2006","45","3","1252","1259","10.1021/ic050505w","","","0.71073","MoKα","","0.1614","0.1138","","","0.2876","0.324","","","","","","1.016","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331529","15.112","0.003","5.8204","0.0012","14.503","0.003","90","","112.439","0.003","90","","1179.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 As F11 N S3 -","- C3 As F11 N S3 -","- C12 As4 F44 N4 S12 -","4","1","","Decken, Andreas; Mattar, Saba M.; Passmore, Jack; Shuvaev, Konstantin V.; Thompson, Laurence K.","Toward a More General Synthetic Route to Paramagnetic Solids Containing RCNSSS•+Radical Cations. A Structure−Property Correlation for RCNSSS•+(R = F5C2, Cl3C)","Inorganic Chemistry","2006","45","10","3878","3886","10.1021/ic050577n","","","0.71073","MoKα","","0.064","0.0591","","","0.2205","0.2224","","","","","","1.321","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331530","8.7769","0.0009","11.8319","0.0011","22.826","0.002","90","","90","","90","","2370.4","0.4","198","2","198","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 As Cl3 F6 N S3 -","- C2 As Cl3 F6 N S3 -","- C16 As8 Cl24 F48 N8 S24 -","8","1","","Decken, Andreas; Mattar, Saba M.; Passmore, Jack; Shuvaev, Konstantin V.; Thompson, Laurence K.","Toward a More General Synthetic Route to Paramagnetic Solids Containing RCNSSS•+Radical Cations. A Structure−Property Correlation for RCNSSS•+(R = F5C2, Cl3C)","Inorganic Chemistry","2006","45","10","3878","3886","10.1021/ic050577n","","","0.71073","MoKα","","0.0369","0.0271","","","0.0661","0.0692","","","","","","1.051","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331531","6.16","0.0002","15.474","0.0004","9.722","0.0003","90","","108.18","0.0015","90","","880.44","0.05","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21 1","P 2yb","4","","","","- C15 H20 F6 N O2 P V -","- C15 H20 F6 N O2 P V -","- C30 H40 F12 N2 O4 P2 V2 -","2","1","","Vinklárek, Jaromír; Paláčková, Hana; Honzíček, Jan; Holubová, Jana; Holčapek, Michal; Císařová, Ivana","Investigation of Vanadocene(IV) α-Amino Acid Complexes: Synthesis, Structure, and Behavior in Physiological Solutions, Human Plasma, and Blood","Inorganic Chemistry","2006","45","5","2156","2162","10.1021/ic050687u","","","0.71073","MoKα","","0.0349","0.0319","","","0.0722","0.0744","","","","","","1.038","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331532","6.275","0.0001","15.88","0.0004","9.894","0.0003","90","","105.768","0.0016","90","","948.81","0.04","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21 1","P 2yb","4","","","","- C16 H22 F6 N O2 P V -","- C16 H22 F6 N O2 P V -","- C32 H44 F12 N2 O4 P2 V2 -","2","1","","Vinklárek, Jaromír; Paláčková, Hana; Honzíček, Jan; Holubová, Jana; Holčapek, Michal; Císařová, Ivana","Investigation of Vanadocene(IV) α-Amino Acid Complexes: Synthesis, Structure, and Behavior in Physiological Solutions, Human Plasma, and Blood","Inorganic Chemistry","2006","45","5","2156","2162","10.1021/ic050687u","","","0.71073","MoKα","","0.0579","0.0555","","","0.1534","0.157","","","","","","1.033","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331533","35.253","0.017","21.825","0.011","22.101","0.011","90","","120.168","0.011","90","","14701","13","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C168 H240 Mn24 N12 O97 P14 -","- C168 H240 Mn24 N12 O97 P14 -","- C336 H480 Mn48 N24 O194 P28 -","2","0.5","","Yao, Hong-Chang; Li, Yi-Zhi; Song, You; Ma, Yun-Sheng; Zheng, Li-Min; Xin, Xin-Quan","Dodecanuclear Manganese(III) Phosphonates with Cage Structures","Inorganic Chemistry","2006","45","1","59","65","10.1021/ic050775e","","","0.71073","MoKα","","0.0871","0.0657","","","0.1244","0.1294","","","","","","1.065","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331535","13.1263","0.001","12.8848","0.0007","25.803","0.0019","90","","96.072","0.009","90","","4339.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 F8 Fe N7 O -","- C51 H33 F8 Fe N7 O -","- C204 H132 F32 Fe4 N28 O4 -","4","1","","Praneeth, V. K. K.; Näther, Christian; Peters, Gerhard; Lehnert, Nicolai","Spectroscopic Properties and Electronic Structure of Five- and Six-Coordinate Iron(II) Porphyrin NO Complexes: Effect of the Axial N-Donor Ligand","Inorganic Chemistry","2006","45","7","2795","2811","10.1021/ic050865j","","","0.71073","MoKα","","0.0487","0.037","","","0.095","0.1009","","","","","","1.021","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331536","9.842","0.002","11.488","0.002","14.481","0.003","72.2","0.03","82.11","0.03","70.42","0.03","1467.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl Fe N6 O11 -","- C28 H26 Cl Fe N6 O11 -","- C56 H52 Cl2 Fe2 N12 O22 -","2","1","","Lanznaster, Mauricio; Neves, Ademir; Bortoluzzi, Adailton J.; Assumpção, Aline M. C.; Vencato, Ivo; Machado, Sergio P.; Drechsel, Sueli M.","Electronic Effects of Electron-Donating and -Withdrawing Groups in Model Complexes for Iron-Tyrosine-Containing Metalloenzymes","Inorganic Chemistry","2006","45","3","1005","1011","10.1021/ic050869o","","","0.71073","MoKα","","0.1391","0.0506","","","0.1038","0.1266","","","","","","1.009","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331537","15.437","0.003","11.198","0.002","17.003","0.003","90","","103.28","0.03","90","","2860.6","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl Fe N4 O6 -","- C30 H32 Cl Fe N4 O6 -","- C120 H128 Cl4 Fe4 N16 O24 -","4","1","","Lanznaster, Mauricio; Neves, Ademir; Bortoluzzi, Adailton J.; Assumpção, Aline M. C.; Vencato, Ivo; Machado, Sergio P.; Drechsel, Sueli M.","Electronic Effects of Electron-Donating and -Withdrawing Groups in Model Complexes for Iron-Tyrosine-Containing Metalloenzymes","Inorganic Chemistry","2006","45","3","1005","1011","10.1021/ic050869o","","","0.71073","MoKα","","0.1081","0.0813","","","0.2497","0.273","","","","","","1.169","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331545","13.733","0.012","8.659","0.008","8.808","0.008","90","","124.083","0.012","90","","867.5","1.4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cu2 N8 O9 P3 -","- C10 H22 Cu2 N2 O12 -","- C20 H44 Cu4 N4 O24 -","2","0.25","","Kong, Deyuan; Zoñ, Jerzy; McBee, Jennifer; Clearfield, Abraham","Rational Design and Synthesis of Porous Organic−Inorganic Hybrid Frameworks Constructed by 1,3,5-Benzenetriphosphonic Acid and Pyridine Synthons","Inorganic Chemistry","2006","45","3","977","986","10.1021/ic0509377","","","0.71073","MoKα","","0.0195","0.0183","","","0.0473","0.0484","","","","","","0.818","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331546","11.702","0.001","12.2803","0.0009","18.7338","0.0014","103.159","0.006","105.697","0.006","100.053","0.006","2442.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H62 Cl2 N6 O13 Ru -","- C42 H36 Cl2 N6 O13 Ru -","- C84 H72 Cl4 N12 O26 Ru2 -","2","1","","Uma Maheswari, Palanisamy; Rajendiran, Venugopal; Stoeckli-Evans, Helen; Palaniandavar, Mallayan","Interaction ofrac-[Ru(5,6-dmp)3]2+with DNA: Enantiospecific DNA Binding and Ligand-Promoted Exciton Coupling","Inorganic Chemistry","2006","45","1","37","50","10.1021/ic050940q","","","0.71073","MoKα","","0.0855","0.0703","","","0.179","0.1869","","","","","","1.16","","","","has coordinates,has disorder","287885","2023-11-30","13:18:06",""
"4331547","12.39","0.012","19.773","0.004","26.411","0.004","90","","90","","90","","6470","6","198","2","198","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H62 B2 F8 N2 P4 Pd2 -","- C60 H62 B2 F8 N2 P4 Pd2 -","- C240 H248 B8 F32 N8 P16 Pd8 -","4","1","","Bérubé, Jean-François; Gagnon, Karl; Fortin, Daniel; Decken, Andreas; Harvey, Pierre D.","Solution and Solid-State Properties of Luminescent M−M Bond-Containing Coordination/Organometallic Polymers Using the RNC-M2(dppm)2-CNR Building Blocks (M = Pd, Pt; R = Aryl, Alkyl)","Inorganic Chemistry","2006","45","7","2812","2823","10.1021/ic0509480","","","1.54056","","","0.1234","0.085","","","0.2393","0.2687","","","","","","1.086","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331548","21.9667","0.0012","16.5006","0.0009","36.265","0.002","90","","90","","90","","13144.7","1.2","198","1","198","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C70 H66 B2 F8 N2 P4 Pt2 -","- C70 H66 B2 F8 N2 P4 Pt2 -","- C560 H528 B16 F64 N16 P32 Pt16 -","8","2","","Bérubé, Jean-François; Gagnon, Karl; Fortin, Daniel; Decken, Andreas; Harvey, Pierre D.","Solution and Solid-State Properties of Luminescent M−M Bond-Containing Coordination/Organometallic Polymers Using the RNC-M2(dppm)2-CNR Building Blocks (M = Pd, Pt; R = Aryl, Alkyl)","Inorganic Chemistry","2006","45","7","2812","2823","10.1021/ic0509480","","x-ray","0.71073","MoKα","","0.0334","0.0263","","","0.065","0.0682","","","","","","1.04","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331549","12.536","0.008","19.93","0.006","26.506","0.005","90","","90","","90","","6622","5","293","","293","","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H62 B2 F8 N2 P4 Pt2 -","- C60 H62 B2 F8 N2 P4 Pt2 -","- C240 H248 B8 F32 N8 P16 Pt8 -","4","1","","Bérubé, Jean-François; Gagnon, Karl; Fortin, Daniel; Decken, Andreas; Harvey, Pierre D.","Solution and Solid-State Properties of Luminescent M−M Bond-Containing Coordination/Organometallic Polymers Using the RNC-M2(dppm)2-CNR Building Blocks (M = Pd, Pt; R = Aryl, Alkyl)","Inorganic Chemistry","2006","45","7","2812","2823","10.1021/ic0509480","","x-ray","1.54175","CuKα","","0.0799","0.0595","","","0.1635","0.1772","","","","","","1.083","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331550","22.379","0.0016","20.8008","0.0015","9.7563","0.0007","90","","92.868","0.001","90","","4535.9","0.6","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 F24 O5 Tl4 -","- C34.5 H12 F24 O5 Tl4 -","- C138 H48 F96 O20 Tl16 -","4","0.5","","Childress, Montana V.; Millar, David; Alam, Todd M.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thallophilic Interactions in Aryloxide Compounds: the {Tl2(μ2-OAr)4} Structural Motif in (TlOAr)4and Tl2Cu(OAr)4Compounds","Inorganic Chemistry","2006","45","10","3864","3877","10.1021/ic050955o","","","0.71073","MoKα","","0.0456","0.0395","","","0.115","0.1174","","","","","","1.361","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331551","14.288","0.005","19.253","0.007","7.439","0.003","90","","114.124","0.004","90","","1867.6","1.2","200","2","200","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H8 F10 O3 Tl2 -","- C16 H8 F10 O3 Tl2 -","- C64 H32 F40 O12 Tl8 -","4","0.5","","Childress, Montana V.; Millar, David; Alam, Todd M.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thallophilic Interactions in Aryloxide Compounds: the {Tl2(μ2-OAr)4} Structural Motif in (TlOAr)4and Tl2Cu(OAr)4Compounds","Inorganic Chemistry","2006","45","10","3864","3877","10.1021/ic050955o","","","0.71073","MoKα","","0.0406","0.0342","","","0.0788","0.0813","","","","","","1.082","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331552","4.1823","0.0007","9.2088","0.0015","9.7104","0.0016","107.052","0.003","101.884","0.003","90.844","0.003","348.75","0.1","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 F5 O Tl -","- C6 F5 O Tl -","- C12 F10 O2 Tl2 -","2","1","","Childress, Montana V.; Millar, David; Alam, Todd M.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thallophilic Interactions in Aryloxide Compounds: the {Tl2(μ2-OAr)4} Structural Motif in (TlOAr)4and Tl2Cu(OAr)4Compounds","Inorganic Chemistry","2006","45","10","3864","3877","10.1021/ic050955o","","","0.71073","MoKα","","0.0329","0.031","","","0.0789","0.0797","","","","","","0.995","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331553","11.0323","0.001","8.511","0.001","23.6162","0.001","90","","100.102","0.01","90","","2183.1","0.3","293","","293","","","","","","","","LHD I-131","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 F5 O7 Tl -","- C18 H24 F5 O7 Tl -","- C72 H96 F20 O28 Tl4 -","4","1","","Childress, Montana V.; Millar, David; Alam, Todd M.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thallophilic Interactions in Aryloxide Compounds: the {Tl2(μ2-OAr)4} Structural Motif in (TlOAr)4and Tl2Cu(OAr)4Compounds","Inorganic Chemistry","2006","45","10","3864","3877","10.1021/ic050955o","","","0.71073","MoKα","","0.0543","0.0325","","0.069","0.039","0.039","","","","","","0.7101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331554","14.858","0.0008","20.1452","0.0011","28.5113","0.0016","96.734","0.001","94.611","0.001","93.648","0.001","8424.6","0.8","218","2","218","2","","","","","","","","6","P -1","-P 1","2","","","","- C152 H40 Cu5 F100 O22 Tl10 -","- C152 H40 Cu5 F100 O22 Tl10 -","- C304 H80 Cu10 F200 O44 Tl20 -","2","1","","Childress, Montana V.; Millar, David; Alam, Todd M.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thallophilic Interactions in Aryloxide Compounds: the {Tl2(μ2-OAr)4} Structural Motif in (TlOAr)4and Tl2Cu(OAr)4Compounds","Inorganic Chemistry","2006","45","10","3864","3877","10.1021/ic050955o","","","0.71073","MoKα","","0.1152","0.0658","","","0.1485","0.1694","","","","","","1.036","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331555","15.3095","0.0008","30.0215","0.0017","16.7395","0.0009","90","","90","","90","","7693.7","0.7","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H14 Cu F24 O4.5 Tl2 -","- C34 H12 Cu F24 O4.5 Tl2 -","- C272 H96 Cu8 F192 O36 Tl16 -","8","1","","Childress, Montana V.; Millar, David; Alam, Todd M.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thallophilic Interactions in Aryloxide Compounds: the {Tl2(μ2-OAr)4} Structural Motif in (TlOAr)4and Tl2Cu(OAr)4Compounds","Inorganic Chemistry","2006","45","10","3864","3877","10.1021/ic050955o","","","0.71073","MoKα","","0.0743","0.0464","","","0.0967","0.1064","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331556","15.627","0.003","18.813","0.003","15.799","0.003","90","","90","","90","","4644.8","1.5","218","2","218","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H14 Cu0.5 F12 O3 Tl -","- C20 H14 Cu0.5 F12.132 O3 Tl -","- C160 H112 Cu4 F97.056 O24 Tl8 -","8","1","","Childress, Montana V.; Millar, David; Alam, Todd M.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thallophilic Interactions in Aryloxide Compounds: the {Tl2(μ2-OAr)4} Structural Motif in (TlOAr)4and Tl2Cu(OAr)4Compounds","Inorganic Chemistry","2006","45","10","3864","3877","10.1021/ic050955o","","","0.71073","MoKα","","0.0978","0.0568","","","0.1247","0.1436","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331557","8.3167","0.0013","4.8505","0.0007","15.561","0.002","90","","94.108","0.007","90","","626.12","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu N4 O4 -","- C12 H12 Cu0.836 N4 O4 -","- C24 H24 Cu1.672 N8 O8 -","2","0.5","","Margraf, Günter; Kretz, Tonia; de Biani, Fabrizia Fabrizi; Laschi, Franco; Losi, Serena; Zanello, Piero; Bats, Jan W.; Wolf, Bernd; Remović-Langer, Katarina; Lang, Michael; Prokofiev, Andrei; Assmus, Wolf; Lerner, Hans-Wolfram; Wagner, Matthias","Mono-, Di-, and Oligonuclear Complexes of CuIIIons andp-Hydroquinone Ligands: Syntheses, Electrochemical Properties, and Magnetic Behavior","Inorganic Chemistry","2006","45","3","1277","1288","10.1021/ic051016z","","","0.71073","MoKα","","0.1578","0.0622","","","0.1047","0.127","","","","","","0.922","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331558","14.3594","0.0006","20.6361","0.0007","10.6119","0.0005","102.842","0.001","109.59","0.002","90.417","0.003","2876.9","0.2","90.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C69 H82 Fe3 P -","- C69 H82 Fe3 P -","- C138 H164 Fe6 P2 -","2","1","","Sutoh, Katsuhide; Sasaki, Shigeru; Yoshifuji, Masaaki","Synthesis and Redox Properties of Crowded Triarylphosphines Possessing Ferrocenyl Groups","Inorganic Chemistry","2006","45","3","992","998","10.1021/ic051038l","","","0.7107","MoKα","","","0.0382","","","","0.0563","","","","","","1.283","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331559","10.731","0.002","11.945","0.002","8.406","0.002","110.32","0.01","103.27","0.02","78.2","0.02","974.2","0.4","296.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H22 Ag F3 N2 O6 S -","- C15 H22 Ag F3 N2 O6 S -","- C30 H44 Ag2 F6 N4 O12 S2 -","2","1","","Habata, Yoichi; Yamada, Sachiko; Osaka, Futoshi","Crown Bowl: Metallocyclophane by Self-Assembly of 4‘-Pyridylmethyl-Armed 12-Crown-4 Ethers with Ag+Ions","Inorganic Chemistry","2006","45","3","987","991","10.1021/ic051047u","","","0.7107","MoKα","","","0.0385","","","","0.1158","","","","","","1.541","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331560","12.6204","0.001","16.1678","0.0013","18.0139","0.0014","66.149","0.001","74.902","0.002","70.12","0.002","3128.9","0.4","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C92 H132 Ag6 F18 N12 O43 S6 -","- C92 H132 Ag6 F18 N12 O43 S6 -","- C92 H132 Ag6 F18 N12 O43 S6 -","1","0.5","","Habata, Yoichi; Yamada, Sachiko; Osaka, Futoshi","Crown Bowl: Metallocyclophane by Self-Assembly of 4‘-Pyridylmethyl-Armed 12-Crown-4 Ethers with Ag+Ions","Inorganic Chemistry","2006","45","3","987","991","10.1021/ic051047u","","","0.71073","MoKα","","0.0389","0.0332","","","0.0882","0.0996","","","","","","1.089","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331561","17.7148","0.0007","17.1794","0.0007","21.1886","0.0009","90","","90","","90","","6448.3","0.5","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C30 H32.5 Cl4 N3 O0.25 P2 Ru -","- C30 H32.5 Cl4.071 N3 O0.25 P2 Ru -","- C240 H260 Cl32.568 N24 O2 P16 Ru8 -","8","2","","Romerosa, Antonio; Campos-Malpartida, Tatiana; Lidrissi, Chaker; Saoud, Mustapha; Serrano-Ruiz, Manuel; Peruzzini, Maurizio; Garrido-Cárdenas, Jose Antonio; García-Maroto, Federico","Synthesis, Characterization, and DNA Binding of New Water-Soluble Cyclopentadienyl Ruthenium(II) Complexes Incorporating Phosphines","Inorganic Chemistry","2006","45","3","1289","1298","10.1021/ic051053q","","","0.71073","MoKα","","0.0666","0.063","","","0.1601","0.1659","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331562","9.891","0.0004","18.823","0.0007","14.4419","0.0006","90","","98.499","0.001","90","","2659.24","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 I N3 P2 Ru -","- C29 H32 I N3 P2 Ru -","- C116 H128 I4 N12 P8 Ru4 -","4","1","","Romerosa, Antonio; Campos-Malpartida, Tatiana; Lidrissi, Chaker; Saoud, Mustapha; Serrano-Ruiz, Manuel; Peruzzini, Maurizio; Garrido-Cárdenas, Jose Antonio; García-Maroto, Federico","Synthesis, Characterization, and DNA Binding of New Water-Soluble Cyclopentadienyl Ruthenium(II) Complexes Incorporating Phosphines","Inorganic Chemistry","2006","45","3","1289","1298","10.1021/ic051053q","","","0.71073","MoKα","","0.0394","0.0287","","","0.0502","0.0526","","","","","","0.929","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331563","20.5735","0.0007","20.7874","0.0007","9.3689","0.0003","90","","101.92","0.001","90","","3920.4","0.2","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 F3 I N3 O5 P2 Ru S -","- C31 H35 F3 I N3 O4.97 P2 Ru S -","- C124 H140 F12 I4 N12 O19.88 P8 Ru4 S4 -","4","1","","Romerosa, Antonio; Campos-Malpartida, Tatiana; Lidrissi, Chaker; Saoud, Mustapha; Serrano-Ruiz, Manuel; Peruzzini, Maurizio; Garrido-Cárdenas, Jose Antonio; García-Maroto, Federico","Synthesis, Characterization, and DNA Binding of New Water-Soluble Cyclopentadienyl Ruthenium(II) Complexes Incorporating Phosphines","Inorganic Chemistry","2006","45","3","1289","1298","10.1021/ic051053q","","","0.71073","MoKα","","0.0833","0.0613","","","0.1792","0.2034","","","","","","1.097","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331564","14.339","0.013","8.366","0.008","17.215","0.016","90","","90","","90","","2065","3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ca F22 P2 Xe5 -","- Ca F22 P2 Xe5 -","- Ca4 F88 P8 Xe20 -","4","1","","Bunič, Tina; Tavčar, Gašper; Tramšek, Melita; Žemva, Boris","Coordination of XeF2to Calcium and Cadmium Hexafluorophosphates(V)","Inorganic Chemistry","2006","45","3","1038","1042","10.1021/ic051083t","","","0.71069","MoKα","","0.0413","0.0346","","","0.0746","0.0801","","","","","","1.103","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331565","14.082","0.002","17.177","0.012","8.47","0.0015","90","","90","","90","","2048.8","1.5","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cd F22 P2 Xe5 -","- Cd F22 P2 Xe5 -","- Cd4 F88 P8 Xe20 -","4","1","","Bunič, Tina; Tavčar, Gašper; Tramšek, Melita; Žemva, Boris","Coordination of XeF2to Calcium and Cadmium Hexafluorophosphates(V)","Inorganic Chemistry","2006","45","3","1038","1042","10.1021/ic051083t","","","0.71069","MoKα","","0.0367","0.0326","","","0.0695","0.0728","","","","","","1.079","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331566","12.1572","0.0007","21.8985","0.0015","14.479","0.0009","90","","102.053","0.007","90","","3769.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H29 Cl4 Mn N4 -","- C45 H29 Cl4 Mn N4 -","- C180 H116 Cl16 Mn4 N16 -","4","1","","Paulat, Florian; Praneeth, V. K. K.; Näther, Christian; Lehnert, Nicolai","Quantum Chemistry-Based Analysis of the Vibrational Spectra of Five-Coordinate Metalloporphyrins [M(TPP)Cl]","Inorganic Chemistry","2006","45","7","2835","2856","10.1021/ic0510866","","","0.71073","MoKα","","0.0524","0.0392","","","0.0987","0.1053","","","","","","1.023","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331567","23.7023","0.0011","23.7023","0.0011","13.7979","0.0009","90","","90","","90","","7751.6","0.7","443","2","443","2","","","","","","","","8","P -4","P -4","81","","","","- C49 H104.5 B Cl12 N12.5 O0 S0 Zr6 -","- C49 H95 B Cl12 N12.5 Zr6 -","- C196 H380 B4 Cl48 N50 Zr24 -","4","1","","Beauvais, Laurance G.; Long, Jeffrey R.","Synthesis and Characterization of Prussian Blue Analogues Incorporating the Edge-Bridged Octahedral [Zr6BCl12]2+Cluster Core","Inorganic Chemistry","2006","45","1","236","243","10.1021/ic051087y","","","0.71073","MoKα","","0.1074","0.0556","","","0.1","0.1184","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331568","15.961","0.003","18.656","0.004","15.773","0.003","90","","102.14","0.03","90","","4591.7","1.7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 Br2 Cl Ga N8 O5 -","- C49 H44 Br2 Cl Ga N8 O5 -","- C196 H176 Br8 Cl4 Ga4 N32 O20 -","4","1","","Dobrov, Anatoly; Arion, Vladimir B.; Kandler, Norbert; Ginzinger, Werner; Jakupec, Michael A.; Rufińska, Anna; Graf von Keyserlingk, Nikolai; Galanski, Markus; Kowol, Christian; Keppler, Bernhard K.","The First Metal-Based Paullone Derivative with High Antiproliferative Activity in Vitro","Inorganic Chemistry","2006","45","5","1945","1950","10.1021/ic0511120","","","0.71073","MoKα","","0.0508","0.0384","","","0.0928","0.0977","","","","","","1.078","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331569","18.936","0.004","14.5","0.003","19.897","0.004","90","","118.12","0.03","90","","4818","2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 Au2 Hg2 N8 O2 -","- C46 H54 Au2 Hg2 N8 O2 -","- C184 H216 Au8 Hg8 N32 O8 -","4","1","","Mohamed, Ahmed A.; Abdou, Hanan E.; Fackler, John P.","Mercury(II) Cyanide Coordination Polymer with Dinuclear Gold(I) Amidinate. Structure of the 2-D [Au2(2,6-Me2-formamidinate)2]·2Hg(CN)2·2THF Complex","Inorganic Chemistry","2006","45","1","11","13","10.1021/ic051114k","","","0.71073","MoKα","","0.113","0.0708","","","0.0883","0.0975","","","","","","1.139","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331570","10.54","0.012","13.682","0.015","15.952","0.017","101.727","0.01","105.233","0.01","101.823","0.01","2090","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N3 O5 V -","- C21 H20 N3 O5 V -","- C84 H80 N12 O20 V4 -","4","2","","Sutradhar, Manas; Mukherjee, Gurunath; Drew, Michael G. B.; Ghosh, Saktiprosad","Synthesis, Reactivity, and X-ray Crystal Structure of Some Mixed-Ligand Oxovanadium(V) Complexes: First Report of Binuclear Oxovanadium(V) Complexes Containing 4,4‘-Bipyridine Type Bridge","Inorganic Chemistry","2006","45","13","5150","5161","10.1021/ic051120g","","","0.71073","MoKα","","0.0707","0.0541","","","0.1318","0.141","","","","","","1.04","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331571","8.622","0.009","10.431","0.012","12.233","0.014","111.985","0.01","93.816","0.01","108.996","0.01","942.1","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N4 O5 V -","- C18 H17 N4 O5 V -","- C36 H34 N8 O10 V2 -","2","1","","Sutradhar, Manas; Mukherjee, Gurunath; Drew, Michael G. B.; Ghosh, Saktiprosad","Synthesis, Reactivity, and X-ray Crystal Structure of Some Mixed-Ligand Oxovanadium(V) Complexes: First Report of Binuclear Oxovanadium(V) Complexes Containing 4,4‘-Bipyridine Type Bridge","Inorganic Chemistry","2006","45","13","5150","5161","10.1021/ic051120g","","","0.71073","MoKα","","0.2044","0.1177","","0.272","0.2245","","","","1.056","1.316","1.316","","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331572","15.151","0.017","7.078","0.01","18.68","0.02","90","","99.16","0.01","90","","1978","4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H21 N4 O7 V -","- C18 H21 N4 O7 V -","- C72 H84 N16 O28 V4 -","4","1","","Sutradhar, Manas; Mukherjee, Gurunath; Drew, Michael G. B.; Ghosh, Saktiprosad","Synthesis, Reactivity, and X-ray Crystal Structure of Some Mixed-Ligand Oxovanadium(V) Complexes: First Report of Binuclear Oxovanadium(V) Complexes Containing 4,4‘-Bipyridine Type Bridge","Inorganic Chemistry","2006","45","13","5150","5161","10.1021/ic051120g","","","0.71073","MoKα","","0.1453","0.1263","","","0.2495","0.2583","","","","","","1.215","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331573","9.662","0.012","10.443","0.012","10.64","0.012","89.4","0.01","63.54","0.01","88.4","0.01","961","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N4 O5 V -","- C19 H17 N4 O5 V -","- C38 H34 N8 O10 V2 -","2","1","","Sutradhar, Manas; Mukherjee, Gurunath; Drew, Michael G. B.; Ghosh, Saktiprosad","Synthesis, Reactivity, and X-ray Crystal Structure of Some Mixed-Ligand Oxovanadium(V) Complexes: First Report of Binuclear Oxovanadium(V) Complexes Containing 4,4‘-Bipyridine Type Bridge","Inorganic Chemistry","2006","45","13","5150","5161","10.1021/ic051120g","","","0.71073","MoKα","","0.0615","0.0476","","","0.1089","0.1152","","","","","","1.023","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331574","20.1978","0.0006","20.1978","0.0006","25.0325","0.0014","90","","90","","90","","10212","0.7","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C111 H72 Ag2 B2 F8 O S12 -","- C111 H72 Ag2 B2 F8 O S12 -","- C444 H288 Ag8 B8 F32 O4 S48 -","4","0.5","","Li, Kunhao; Xu, Zhengtao; Xu, Hanhui; Carroll, Patrick J.; Fettinger, James C.","Three-Dimensional Nets from Star-Shaped Hexakis(arylthio)triphenylene Molecules and Silver(I) Salts","Inorganic Chemistry","2006","45","3","1032","1037","10.1021/ic051135e","","","0.71073","MoKα","","0.0414","0.0396","","","0.1096","0.1124","","","","","","1.14","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331575","20.1972","0.0003","20.1972","0.0003","25.0091","0.0007","90","","90","","90","","10201.9","0.4","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C55 H36 Ag F3 O3 S7 -","- C55 H36 Ag F3 O3 S7 -","- C440 H288 Ag8 F24 O24 S56 -","8","1","","Li, Kunhao; Xu, Zhengtao; Xu, Hanhui; Carroll, Patrick J.; Fettinger, James C.","Three-Dimensional Nets from Star-Shaped Hexakis(arylthio)triphenylene Molecules and Silver(I) Salts","Inorganic Chemistry","2006","45","3","1032","1037","10.1021/ic051135e","","","0.71073","MoKα","","0.0347","0.0337","","","0.0926","0.0942","","","","","","1.081","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331576","25.2789","0.0016","30.237","0.0016","19.792","0.0012","90","","128.401","0.001","90","","11855.7","1.2","","","143","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C121.5 H99 Ag2 F12 O12.5 S12 Sb2 -","- C121.5 H95 Ag2 F12 O12.5 S12 Sb2 -","- C486 H380 Ag8 F48 O50 S48 Sb8 -","4","1","","Li, Kunhao; Xu, Zhengtao; Xu, Hanhui; Carroll, Patrick J.; Fettinger, James C.","Three-Dimensional Nets from Star-Shaped Hexakis(arylthio)triphenylene Molecules and Silver(I) Salts","Inorganic Chemistry","2006","45","3","1032","1037","10.1021/ic051135e","","","0.71069","MoKα","","0.0682","0.0605","","","0.1876","0.2252","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331585","9.935","0.001","17.133","0.002","17.882","0.002","71.471","0.008","76.752","0.009","85.14","0.01","2809","0.6","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C36 H89 Cl Co2 Fe N16 O20 -","- C36 H89 Cl Co2 Fe N16 O20 -","- C72 H178 Cl2 Co4 Fe2 N32 O40 -","2","1","","Bernhardt, Paul V.; Bozoglián, Fernando; González, Gabriel; Martínez, Manuel; Macpherson, Brendan P.; Sienra, Beatriz","Dinuclear Cyano-Bridged CoIII−FeIIComplexes as Precursors for Molecular Mixed-Valence Complexes of Higher Nuclearity","Inorganic Chemistry","2006","45","1","74","82","10.1021/ic0511423","","x-ray","0.71073","MoKα","","0.0831","0.0463","","","0.1326","0.1509","","","","","","1.041","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331586","15.273","0.002","11.297","0.001","30.747","0.006","90","","90.14","0.02","90","","5305","1.3","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H76 Cl2 Co2 Fe N16 O17 -","- C30 H58 Cl2 Co2 Fe N16 O16.99 -","- C120 H232 Cl8 Co8 Fe4 N64 O67.96 -","4","1","","Bernhardt, Paul V.; Bozoglián, Fernando; González, Gabriel; Martínez, Manuel; Macpherson, Brendan P.; Sienra, Beatriz","Dinuclear Cyano-Bridged CoIII−FeIIComplexes as Precursors for Molecular Mixed-Valence Complexes of Higher Nuclearity","Inorganic Chemistry","2006","45","1","74","82","10.1021/ic0511423","","x-ray","0.71073","MoKα","","0.2342","0.1102","","","0.3212","0.3854","","","","","","1.054","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331587","9.2247","0.0009","14.478","0.002","19.651","0.002","74.08","0.01","76.329","0.001","72.79","0.01","2376.2","0.5","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C30 H70 Cl3 Co3 N16 O6 -","- C30 H58 Cl3 Co3 N16 O6 -","- C60 H116 Cl6 Co6 N32 O12 -","2","1","","Bernhardt, Paul V.; Bozoglián, Fernando; González, Gabriel; Martínez, Manuel; Macpherson, Brendan P.; Sienra, Beatriz","Dinuclear Cyano-Bridged CoIII−FeIIComplexes as Precursors for Molecular Mixed-Valence Complexes of Higher Nuclearity","Inorganic Chemistry","2006","45","1","74","82","10.1021/ic0511423","","x-ray","0.71073","MoKα","","0.1488","0.0566","","","0.1416","0.1783","","","","","","1.013","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331589","12.242","0.002","12.291","0.003","22.056","0.004","93.12","0.03","99.78","0.03","119.84","0.03","2799.1","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","A-type trivacant alpha-Keggin ion","Lacunary Keggin Ion","","- Na15 Nb9 O62 P4 -","- Na15 Nb9 O62 P4 -","- Na30 Nb18 O124 P8 -","2","1","","Nyman, May; Celestian, Aaron J.; Parise, John B.; Holland, Gregory P.; Alam, Todd M.","Solid-State Structural Characterization of a Rigid Framework of Lacunary Heteropolyniobates","Inorganic Chemistry","2006","45","3","1043","1052","10.1021/ic051155g","","","0.922","synchrotron","","0.0474","0.0471","","","0.1327","0.1329","","","","","","1.1","","","","has coordinates","289031","2024-01-11","08:36:03",""
"4331593","17.341","0.002","23.216","0.002","30.088","0.002","68.94","0.1","86.57","0.1","77.22","0.1","11021","9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","bi-nuclear complex [Cu(calix6,Me3,Imbn3)OH]2 (ClO4)2","","","- C211 H252 Cl2 Cu2 N12 O24 -","- C209 H252 Cl2 Cu2 N12 O26 -","- C418 H504 Cl4 Cu4 N24 O52 -","2","1","","Izzet, Guillaume; Akdas, Huriye; Hucher, Nicolas; Giorgi, Michel; Prangé, Thierry; Reinaud, Olivia","Supramolecular Assemblies with Calix[6]arenes and Copper Ions: from Dinuclear to Trinuclear Linear Arrangements of Hydroxo−Cu(II) Complexes","Inorganic Chemistry","2006","45","3","1069","1077","10.1021/ic051221e","","","0.972","synchrotron","","0.0787","0.0702","","","0.2263","0.2305","","","","","","1.023","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331595","15.346","0.003","16.798","0.003","22.227","0.006","87.283","0.009","83.533","0.009","76.486","0.009","5534","2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C104.5 H129.5 Cl Cu1.5 N62 O14.5 -","- C104.5 H87.5 Cl Cu1.5 N6 O14.5 -","- C209 H175 Cl2 Cu3 N12 O29 -","2","1","","Izzet, Guillaume; Akdas, Huriye; Hucher, Nicolas; Giorgi, Michel; Prangé, Thierry; Reinaud, Olivia","Supramolecular Assemblies with Calix[6]arenes and Copper Ions: from Dinuclear to Trinuclear Linear Arrangements of Hydroxo−Cu(II) Complexes","Inorganic Chemistry","2006","45","3","1069","1077","10.1021/ic051221e","","","0.71073","MoKα","","0.1231","0.1021","","","0.2678","0.2915","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331597","17.17","0.002","18.771","0.002","21.888","0.003","106.777","0.005","92.097","0.005","108.334","0.009","6348","1.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C111 H129 Cl7 Cu2.5 N7 O13 -","- C111 H127 Cl7.1 Cu1.5 N7 O13 -","- C222 H254 Cl14.2 Cu3 N14 O26 -","2","1","","Izzet, Guillaume; Akdas, Huriye; Hucher, Nicolas; Giorgi, Michel; Prangé, Thierry; Reinaud, Olivia","Supramolecular Assemblies with Calix[6]arenes and Copper Ions: from Dinuclear to Trinuclear Linear Arrangements of Hydroxo−Cu(II) Complexes","Inorganic Chemistry","2006","45","3","1069","1077","10.1021/ic051221e","","","0.71073","MoKα","","0.1252","0.1016","","","0.2855","0.3175","","","","","","1.009","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331599","12.9634","0.0005","14.8613","0.0007","14.9188","0.0006","90","","90","","90","","2874.2","0.2","173","2","173","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Dy12 I16 O82 -","- Dy12 I16 O82 -","- Dy12 I16 O82 -","1","0.125","","Mudring, Anja-Verena; Timofte, Tudor; Babai, Arash","Cluster-Type Basic Lanthanide Iodides [M6(μ6-O)(μ3-OH)8(H2O)24]I8(H2O)8(M = Nd, Eu, Tb, Dy)","Inorganic Chemistry","2006","45","13","5162","5166","10.1021/ic051234s","","","0.71073","mokα","","0.0644","0.0389","","","0.0801","0.0866","","","","","","0.992","","","","has coordinates","210306","2020-10-21","18:00:00",""
"4331601","13.066","0.002","14.9815","0.0019","14.9941","0.0018","90","","90","","90","","2935.1","0.7","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Eu6 H72 I8 O41 -","- Eu6 I8 O41 -","- Eu12 I16 O82 -","2","0.25","","Mudring, Anja-Verena; Timofte, Tudor; Babai, Arash","Cluster-Type Basic Lanthanide Iodides [M6(μ6-O)(μ3-OH)8(H2O)24]I8(H2O)8(M = Nd, Eu, Tb, Dy)","Inorganic Chemistry","2006","45","13","5162","5166","10.1021/ic051234s","","","0.71073","MoKα","","0.106","0.054","","","0.086","0.0998","","","","","","0.91","","","","has coordinates","210306","2020-10-21","18:00:00",""
"4331603","13.104","0.003","15.021","0.003","15.149","0.003","90","","90","","90","","2981.9","1.1","173","2","173","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H72 I8 Nd6 O41 -","- I8 Nd6 O41 -","- I16 Nd12 O82 -","2","0.25","","Mudring, Anja-Verena; Timofte, Tudor; Babai, Arash","Cluster-Type Basic Lanthanide Iodides [M6(μ6-O)(μ3-OH)8(H2O)24]I8(H2O)8(M = Nd, Eu, Tb, Dy)","Inorganic Chemistry","2006","45","13","5162","5166","10.1021/ic051234s","","","0.71073","MoKα","","0.0447","0.034","","","0.0764","0.0794","","","","","","1.022","","","","has coordinates","210306","2020-10-21","18:00:00",""
"4331605","12.9634","0.0005","14.8613","0.0007","14.9188","0.0006","90","","90","","90","","2874.2","0.2","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H144 I16 O82 Tb12 -","- I16 O82 Tb12 -","- I16 O82 Tb12 -","1","0.125","","Mudring, Anja-Verena; Timofte, Tudor; Babai, Arash","Cluster-Type Basic Lanthanide Iodides [M6(μ6-O)(μ3-OH)8(H2O)24]I8(H2O)8(M = Nd, Eu, Tb, Dy)","Inorganic Chemistry","2006","45","13","5162","5166","10.1021/ic051234s","","","0.71073","mokα","","0.0571","0.0395","","","0.0924","0.0984","","","","","","1","","","","has coordinates","210306","2020-10-21","18:00:00",""
"4331607","28.744","0.0018","10.268","0.0008","14.794","0.0012","90","","113.535","0.005","90","","4003.1","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 Ag2 Cl2 N9 O8 -","- C38 H30 Ag2 Cl2 N9 O8 -","- C152 H120 Ag8 Cl8 N36 O32 -","4","0.5","","Wu, Huang-Chun; Thanasekaran, P.; Tsai, Chi-Hwe; Wu, Jing-Yun; Huang, Sheng-Ming; Wen, Yuh-Sheng; Lu, Kuang-Lieh","Self-Assembly, Reorganization, and Photophysical Properties of Silver(I)−Schiff-Base Molecular Rectangle and Polymeric Array Species","Inorganic Chemistry","2006","45","1","295","303","10.1021/ic051235k","","","0.71073","MoKα","","0.113","0.0559","","","0.1338","0.1657","","","","","","1.065","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331609","13.022","0.0008","25.3692","0.0019","15.2238","0.0009","90","","95.136","0.004","90","","5009.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54.5 H46.5 N8.5 O8 U Zn2 -","- C55 H39 N8 O8 U Zn2 -","- C220 H156 N32 O32 U4 Zn8 -","4","1","","Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Ephritikhine, Michel","Synthesis, Structure, and Magnetic Behavior of a Series of Trinuclear Schiff Base Complexes of 5f (UIV, ThIV) and 3d (CuII, ZnII) Ions","Inorganic Chemistry","2006","45","1","83","93","10.1021/ic0512375","","","0.71073","MoKα","","0.1089","0.0518","","","0.0944","0.1114","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331610","15.7345","0.0011","21.006","0.003","17.375","0.002","90","","105.069","0.006","90","","5545.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H49 N9 O8 U Zn2 -","- C65 H49 N9 O8 U Zn2 -","- C260 H196 N36 O32 U4 Zn8 -","4","1","","Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Ephritikhine, Michel","Synthesis, Structure, and Magnetic Behavior of a Series of Trinuclear Schiff Base Complexes of 5f (UIV, ThIV) and 3d (CuII, ZnII) Ions","Inorganic Chemistry","2006","45","1","83","93","10.1021/ic0512375","","","0.71073","MoKα","","0.2173","0.0828","","","0.1141","0.1545","","","","","","0.965","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331611","13.5131","0.0007","24.7965","0.0015","16.0543","0.0005","90","","109.326","0.003","90","","5076.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H47 N7 O8 U Zn2 -","- C59 H47 N7 O8 U Zn2 -","- C236 H188 N28 O32 U4 Zn8 -","4","1","","Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Ephritikhine, Michel","Synthesis, Structure, and Magnetic Behavior of a Series of Trinuclear Schiff Base Complexes of 5f (UIV, ThIV) and 3d (CuII, ZnII) Ions","Inorganic Chemistry","2006","45","1","83","93","10.1021/ic0512375","","","0.71073","MoKα","","0.0761","0.0451","","","0.0865","0.0966","","","","","","1.003","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331612","13.1908","0.0013","15.3953","0.0014","16.0568","0.0018","107.043","0.006","99.595","0.006","110.775","0.006","2778.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.5 H45.5 N7.5 O8 U Zn2 -","- C60.5 H34.5 N6.5 O8 U Zn2 -","- C121 H69 N13 O16 U2 Zn4 -","2","1","","Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Ephritikhine, Michel","Synthesis, Structure, and Magnetic Behavior of a Series of Trinuclear Schiff Base Complexes of 5f (UIV, ThIV) and 3d (CuII, ZnII) Ions","Inorganic Chemistry","2006","45","1","83","93","10.1021/ic0512375","","","0.71073","MoKα","","0.1309","0.0708","","","0.1537","0.1838","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331613","18.0082","0.0016","15.5536","0.0009","18.6973","0.0017","90","","107.037","0.003","90","","5007.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 N8 O8 U Zn2 -","- C56 H52 N8 O8 U Zn2 -","- C224 H208 N32 O32 U4 Zn8 -","4","1","","Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Ephritikhine, Michel","Synthesis, Structure, and Magnetic Behavior of a Series of Trinuclear Schiff Base Complexes of 5f (UIV, ThIV) and 3d (CuII, ZnII) Ions","Inorganic Chemistry","2006","45","1","83","93","10.1021/ic0512375","","","0.71073","MoKα","","0.133","0.0635","","","0.1009","0.1207","","","","","","0.988","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331614","19.7974","0.0011","16.0236","0.001","13.0921","0.0008","90","","91.658","0.004","90","","4151.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Cu2 N6 O8 U -","- C46 H42 Cu2 N6 O8 U -","- C184 H168 Cu8 N24 O32 U4 -","4","1","","Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Ephritikhine, Michel","Synthesis, Structure, and Magnetic Behavior of a Series of Trinuclear Schiff Base Complexes of 5f (UIV, ThIV) and 3d (CuII, ZnII) Ions","Inorganic Chemistry","2006","45","1","83","93","10.1021/ic0512375","","","0.71073","MoKα","","0.1114","0.047","","","0.0801","0.0978","","","","","","0.966","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331615","10.3309","0.0006","13.4676","0.0008","31.2129","0.0016","90","","90.019","0.003","90","","4342.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43.5 H39.5 Cu2 N5.5 O8 Th -","- C43.5 H39.5 Cu2 N5.5 O8 Th -","- C174 H158 Cu8 N22 O32 Th4 -","4","1","","Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Ephritikhine, Michel","Synthesis, Structure, and Magnetic Behavior of a Series of Trinuclear Schiff Base Complexes of 5f (UIV, ThIV) and 3d (CuII, ZnII) Ions","Inorganic Chemistry","2006","45","1","83","93","10.1021/ic0512375","","","0.71073","MoKα","","0.0962","0.0698","","","0.1765","0.1932","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331623","12.6917","0.0004","17.1502","0.0005","23.9634","0.0007","90","","90","","90","","5216","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H35 O8 Si5 Ta -","- C12 H35 O8 Si5 Ta -","- C96 H280 O64 Si40 Ta8 -","8","1","","Kapoor, Ramesh N.; Cervantes-Lee, Francisco; Campana, Charles F.; Haltiwanger, Curtis; Abney, Kent; Pannell, Keith H.","Synthesis, Structural and Spectroscopic Characterization, Catalytic Properties, and Thermal Transformations of New Cyclic Di- and Trisiloxanediolato Tantalum Complexes","Inorganic Chemistry","2006","45","5","2203","2208","10.1021/ic051274w","","","0.71073","MoKα","","0.0379","0.0282","","","0.0775","0.0845","","","","","","1.355","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331625","9.2043","0.0008","10.7671","0.001","11.8911","0.0011","103.649","0.002","111.626","0.002","105.234","0.002","981.55","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H54 O12 Si4 Ta2 -","- C20 H54 O12 Si4 Ta2 -","- C20 H54 O12 Si4 Ta2 -","1","0.5","","Kapoor, Ramesh N.; Cervantes-Lee, Francisco; Campana, Charles F.; Haltiwanger, Curtis; Abney, Kent; Pannell, Keith H.","Synthesis, Structural and Spectroscopic Characterization, Catalytic Properties, and Thermal Transformations of New Cyclic Di- and Trisiloxanediolato Tantalum Complexes","Inorganic Chemistry","2006","45","5","2203","2208","10.1021/ic051274w","","","0.71073","MoKα","","0.0451","0.0378","","","0.0933","0.0992","","","","","","1.083","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331627","10.669","0.001","10.731","0.001","23.032","0.003","88.162","0.002","77.896","0.002","88.166","0.002","2576.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(3,5-di-tert-butyl-pyrazolato)lithium, hexane hemi-solvate","","- C47 H83 Li4 N8 -","- C47 H83 Li4 N8 -","- C94 H166 Li8 N16 -","2","1","","Cortés-Llamas, Sara-Ángelica; Hernández-Lamoneda, Ramón; Velázquez-Carmona, Miguel-Ángel; Muñoz-Hernández, Miguel-Angel; Toscano, Rubén A.","3,5-Dimethyl and 3,5-Di-tert-butylpyrazolato Complexes with Alkali Metals: Monomeric, Dimeric, Cluster, and 1D Chain Structures","Inorganic Chemistry","2006","45","1","286","294","10.1021/ic051294y","","","0.71073","MoKα","","0.0727","0.0535","","","0.137","0.1493","","","","","","1.041","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331629","10.31","0.003","10.826","0.003","11.412","0.003","83.982","0.005","71.5","0.004","75.143","0.005","1167.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(3,5-di-tert-butylpyrazole)(3,5-di-tert-butylpyrazolato)lithium","","- C44 H78 Li2 N8 -","- C22 H39 Li N4 -","- C44 H78 Li2 N8 -","2","1","","Cortés-Llamas, Sara-Ángelica; Hernández-Lamoneda, Ramón; Velázquez-Carmona, Miguel-Ángel; Muñoz-Hernández, Miguel-Angel; Toscano, Rubén A.","3,5-Dimethyl and 3,5-Di-tert-butylpyrazolato Complexes with Alkali Metals: Monomeric, Dimeric, Cluster, and 1D Chain Structures","Inorganic Chemistry","2006","45","1","286","294","10.1021/ic051294y","","","0.71073","MoKα","","0.0938","0.0691","","","0.135","0.1462","","","","","","1.1","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331631","23.161","0.003","11.611","0.002","17.233","0.003","90","","116.48","0.02","90","","4148.2","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrahydrofuran-(3,5-dimethylpyrazolato)sodium","","- C36 H60 N8 Na4 O4 -","- C36 H60 N8 Na4 O4 -","- C144 H240 N32 Na16 O16 -","4","0.5","","Cortés-Llamas, Sara-Ángelica; Hernández-Lamoneda, Ramón; Velázquez-Carmona, Miguel-Ángel; Muñoz-Hernández, Miguel-Angel; Toscano, Rubén A.","3,5-Dimethyl and 3,5-Di-tert-butylpyrazolato Complexes with Alkali Metals: Monomeric, Dimeric, Cluster, and 1D Chain Structures","Inorganic Chemistry","2006","45","1","286","294","10.1021/ic051294y","","","0.71073","MoKα","","0.0594","0.0419","","","0.1057","0.1155","","","","","","1.029","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331633","28.396","0.006","20.922","0.004","34.878","0.007","90","","103.42","0.03","90","","20155","7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ7-Hydroxo-tris(μ4-3,5-Di-tert-butyl-1H-pyrazolato)- tris(μ3-3,5-Di-tert-butyl-1H-pyrazolato)-hepta-sodium, bencene solvate","","- C102 H151 N12 Na7 O -","- C102 H151 N12 Na7 O -","- C816 H1208 N96 Na56 O8 -","8","2","","Cortés-Llamas, Sara-Ángelica; Hernández-Lamoneda, Ramón; Velázquez-Carmona, Miguel-Ángel; Muñoz-Hernández, Miguel-Angel; Toscano, Rubén A.","3,5-Dimethyl and 3,5-Di-tert-butylpyrazolato Complexes with Alkali Metals: Monomeric, Dimeric, Cluster, and 1D Chain Structures","Inorganic Chemistry","2006","45","1","286","294","10.1021/ic051294y","","","0.71073","MoKα","","0.1343","0.0694","","","0.1642","0.2038","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331635","9.903","0.002","19.174","0.004","14.314","0.003","90","","108.414","0.004","90","","2578.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,5-di-tert-butylpyrazolato)(18-crown-6)sodium","","- C23 H43 N2 Na O6 -","- C23 H43 N2 Na O6 -","- C92 H172 N8 Na4 O24 -","4","1","","Cortés-Llamas, Sara-Ángelica; Hernández-Lamoneda, Ramón; Velázquez-Carmona, Miguel-Ángel; Muñoz-Hernández, Miguel-Angel; Toscano, Rubén A.","3,5-Dimethyl and 3,5-Di-tert-butylpyrazolato Complexes with Alkali Metals: Monomeric, Dimeric, Cluster, and 1D Chain Structures","Inorganic Chemistry","2006","45","1","286","294","10.1021/ic051294y","","","0.71073","MoKα","","0.0572","0.0422","","","0.0969","0.1048","","","","","","1.032","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331637","10.54","0.003","11.043","0.003","12.169","0.003","105.689","0.007","104.812","0.006","100.077","0.005","1272.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","poly-[(3,5-di-tert-butylpyrazolato)potassium]","","- C11 H19 K N2 -","- C11 H19 K N2 -","- C44 H76 K4 N8 -","4","2","","Cortés-Llamas, Sara-Ángelica; Hernández-Lamoneda, Ramón; Velázquez-Carmona, Miguel-Ángel; Muñoz-Hernández, Miguel-Angel; Toscano, Rubén A.","3,5-Dimethyl and 3,5-Di-tert-butylpyrazolato Complexes with Alkali Metals: Monomeric, Dimeric, Cluster, and 1D Chain Structures","Inorganic Chemistry","2006","45","1","286","294","10.1021/ic051294y","","","0.71073","MoKα","","0.0527","0.0441","","","0.1095","0.114","","","","","","0.979","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4331639","18.483","0.003","13.674","0.002","19.648","0.002","90","","117.65","0.01","90","","4398.7","1.1","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H74 Cl6 N8 O12 -","- C24 H51 Cl6 N8 O12 -","- C96 H204 Cl24 N32 O48 -","4","1","","Ambrosi, Gianluca; Dapporto, Paolo; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Guerri, Annalisa; Micheloni, Mauro; Paoli, Paola; Pontellini, Roberto; Rossi, Patrizia","Synthesis of a Large Amino-Phenolic Cage. Synthesis, Crystal Structures, and Acid−Base and Coordination Behavior toward Cations and Anions","Inorganic Chemistry","2006","45","1","304","314","10.1021/ic051304v","","","0.7107","MoKα","","0.2419","0.0886","","","0.1836","0.2548","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331640","15.252","0.002","15.419","0.003","14.605","0.003","90","","90","","90","","3434.7","1.1","298","","298","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H22.5 Cl1.5 N4 O6.5 Zn -","- C12 H22.5 Cl1.5 N4 O6.5 Zn -","- C96 H180 Cl12 N32 O52 Zn8 -","8","1","","Ambrosi, Gianluca; Dapporto, Paolo; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Guerri, Annalisa; Micheloni, Mauro; Paoli, Paola; Pontellini, Roberto; Rossi, Patrizia","Synthesis of a Large Amino-Phenolic Cage. Synthesis, Crystal Structures, and Acid−Base and Coordination Behavior toward Cations and Anions","Inorganic Chemistry","2006","45","1","304","314","10.1021/ic051304v","","","0.7107","MoKα","","0.2095","0.0896","","","0.1093","0.1415","","","","","","1.123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331642","22.128","0.002","12.524","0.002","26.66","0.002","90","","91.617","0.007","90","","7385.4","1.5","293","2","293","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54 Cu3 K4 N4 O59 Si W11 -","- C28 H22 Cu3 K4 N4 O59 Si W11 -","- C112 H88 Cu12 K16 N16 O236 Si4 W44 -","4","1","","Reinoso, Santiago; Vitoria, Pablo; Felices, Leire San; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Analysis of Weak Interactions in the Crystal Packing of Inorganic Metalorganic Hybrids Based on Keggin Polyoxometalates and Dinuclear Copper(II)−Acetate Complexes","Inorganic Chemistry","2006","45","1","108","118","10.1021/ic051322c","","x-ray","0.71073","MoKα","","0.1832","0.0495","","","0.091","0.1156","","","","","","0.776","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4331643","47","0.002","12.7895","0.0008","26.3943","0.0009","90","","90.27","0.003","90","","15865.6","1.3","293","2","293","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H130 Cu6 K8 N8 O129 Si2 W22 -","- C56 H44 Cu6.002 N8 O89 Si2 W21.998 -","- C224 H176 Cu24.008 N32 O356 Si8 W87.992 -","4","0.5","","Reinoso, Santiago; Vitoria, Pablo; Felices, Leire San; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Analysis of Weak Interactions in the Crystal Packing of Inorganic Metalorganic Hybrids Based on Keggin Polyoxometalates and Dinuclear Copper(II)−Acetate Complexes","Inorganic Chemistry","2006","45","1","108","118","10.1021/ic051322c","","x-ray","0.71073","MoKα","","0.07","0.0439","","","0.0968","0.1029","","","","","","0.921","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4331645","11.672","0.002","16.107","0.004","6.505","0.001","96.27","0.02","96.18","0.01","84.12","0.02","1203.5","0.4","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Co2 O2 S4 W -","- C24 Co2 O2 S4 W -","- C48 Co4 O4 S8 W2 -","2","1","","Murata, Masaki; Habe, Satoru; Araki, Shingo; Namiki, Kosuke; Yamada, Teppei; Nakagawa, Norikiyo; Nankawa, Takuya; Nihei, Masayuki; Mizutani, Jun; Kurihara, Masato; Nishihara, Hiroshi","Synthesis of Heterometal Cluster Complexes by the Reaction of Cobaltadichalcogenolato Complexes with Groups 6 and 8 Metal Carbonyls","Inorganic Chemistry","2006","45","3","1108","1116","10.1021/ic0513282","","","0.7107","MoKα","","","0.038","","","","0.044","","","","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331646","10.922","0.002","12.611","0.001","10.96","0.002","90","","90.28","0.01","90","","1509.6","0.4","296.2","","296.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H9 Co Fe O3 S2 -","- C14 Co Fe O3 S2 -","- C56 Co4 Fe4 O12 S8 -","4","1","","Murata, Masaki; Habe, Satoru; Araki, Shingo; Namiki, Kosuke; Yamada, Teppei; Nakagawa, Norikiyo; Nankawa, Takuya; Nihei, Masayuki; Mizutani, Jun; Kurihara, Masato; Nishihara, Hiroshi","Synthesis of Heterometal Cluster Complexes by the Reaction of Cobaltadichalcogenolato Complexes with Groups 6 and 8 Metal Carbonyls","Inorganic Chemistry","2006","45","3","1108","1116","10.1021/ic0513282","","","0.7107","MoKα","","","0.051","","","","0.041","","","","","","6.86","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331647","6.6624","0.0007","23.145","0.002","16.511","0.002","90","","102.433","0.006","90","","2486.3","0.5","120","5","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H18 Co2 Mo O2 Se4 -","- C24 H18 Co2 Mo O2 Se4 -","- C96 H72 Co8 Mo4 O8 Se16 -","4","2","","Murata, Masaki; Habe, Satoru; Araki, Shingo; Namiki, Kosuke; Yamada, Teppei; Nakagawa, Norikiyo; Nankawa, Takuya; Nihei, Masayuki; Mizutani, Jun; Kurihara, Masato; Nishihara, Hiroshi","Synthesis of Heterometal Cluster Complexes by the Reaction of Cobaltadichalcogenolato Complexes with Groups 6 and 8 Metal Carbonyls","Inorganic Chemistry","2006","45","3","1108","1116","10.1021/ic0513282","","","0.7107","MoKα","","","0.033","","","","0.053","","","","","","1.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331648","8.079","0.005","10.432","0.006","13.196","0.008","66.93","0.02","81.35","0.03","77.75","0.03","997.1","1.1","120","5","","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 Co O2 Se4 W -","- C19 H13 Co O2 Se4 W -","- C38 H26 Co2 O4 Se8 W2 -","2","1","","Murata, Masaki; Habe, Satoru; Araki, Shingo; Namiki, Kosuke; Yamada, Teppei; Nakagawa, Norikiyo; Nankawa, Takuya; Nihei, Masayuki; Mizutani, Jun; Kurihara, Masato; Nishihara, Hiroshi","Synthesis of Heterometal Cluster Complexes by the Reaction of Cobaltadichalcogenolato Complexes with Groups 6 and 8 Metal Carbonyls","Inorganic Chemistry","2006","45","3","1108","1116","10.1021/ic0513282","","","0.71069","MoKα","","","0.0911","","","","0.2451","","","","","","1.124","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331650","21.2171","0.0006","21.2171","0.0006","21.2171","0.0006","90","","90","","90","","9551.2","0.5","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H121 Co3 O42 P10 Ti3 -","- C68 H124 Co4 O67.6667 P13.3333 Ti4 -","- C204 H372 Co12 O203 P40 Ti12 -","3","0.25","","Yi,; Zhang, Qian-Feng; Lam, Tony C. H.; Chan, Eddie Y. Y.; Williams, Ian D.; Leung, Wa-Hung","Phosphato, Chromato, and Perrhenato Complexes of Titanium(IV) and Zirconium(IV) Containing Kläui's Tripodal Ligand","Inorganic Chemistry","2006","45","1","328","335","10.1021/ic051329u","","","0.71073","MoKα","","0.0505","0.0455","","","0.1185","0.1213","","","","","","1.092","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331652","17.615","0.004","18.853","0.004","19.594","0.004","90","","114.652","0.005","90","","5914","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H80 Co2 O31 P8 Ti2 -","- C34 H80 Co2 O31 P8 Ti2 -","- C136 H320 Co8 O124 P32 Ti8 -","4","0.5","","Yi,; Zhang, Qian-Feng; Lam, Tony C. H.; Chan, Eddie Y. Y.; Williams, Ian D.; Leung, Wa-Hung","Phosphato, Chromato, and Perrhenato Complexes of Titanium(IV) and Zirconium(IV) Containing Kläui's Tripodal Ligand","Inorganic Chemistry","2006","45","1","328","335","10.1021/ic051329u","","","0.71073","MoKα","","0.1165","0.0613","","","0.1173","0.1373","","","","","","1.003","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331654","18.4085","0.0009","18.6209","0.0009","16.9501","0.0009","90","","90","","90","","5810.2","0.5","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C34 H70 Co2 Cr3 O30 P6 Ti2 -","- C33.98 H69.98 Co2 Cr3 O30 P6 Ti2 -","- C135.92 H279.92 Co8 Cr12 O120 P24 Ti8 -","4","1","","Yi,; Zhang, Qian-Feng; Lam, Tony C. H.; Chan, Eddie Y. Y.; Williams, Ian D.; Leung, Wa-Hung","Phosphato, Chromato, and Perrhenato Complexes of Titanium(IV) and Zirconium(IV) Containing Kläui's Tripodal Ligand","Inorganic Chemistry","2006","45","1","328","335","10.1021/ic051329u","","","0.71073","MoKα","","0.0497","0.039","","","0.0843","0.0889","","","","","","1.015","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331656","18.456","0.002","26.907","0.003","15.971","0.002","90","","93.818","0.002","90","","7913.5","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H45 Co O23 P3 Re3 Zr -","- C21 H45 Co O23 P3 Re3 Zr -","- C168 H360 Co8 O184 P24 Re24 Zr8 -","8","2","","Yi,; Zhang, Qian-Feng; Lam, Tony C. H.; Chan, Eddie Y. Y.; Williams, Ian D.; Leung, Wa-Hung","Phosphato, Chromato, and Perrhenato Complexes of Titanium(IV) and Zirconium(IV) Containing Kläui's Tripodal Ligand","Inorganic Chemistry","2006","45","1","328","335","10.1021/ic051329u","","","0.71073","MoKα","","0.1028","0.0498","","","0.0881","0.0985","","","","","","1.025","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331658","11.9323","0.001","17.4621","0.0015","19.3803","0.0017","90","","95.349","0.002","90","","4020.6","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 Co F9 O18 P3 S3 Zr -","- C20 H25 Co F9 O18 P3 S3 Zr -","- C80 H100 Co4 F36 O72 P12 S12 Zr4 -","4","1","","Yi,; Zhang, Qian-Feng; Lam, Tony C. H.; Chan, Eddie Y. Y.; Williams, Ian D.; Leung, Wa-Hung","Phosphato, Chromato, and Perrhenato Complexes of Titanium(IV) and Zirconium(IV) Containing Kläui's Tripodal Ligand","Inorganic Chemistry","2006","45","1","328","335","10.1021/ic051329u","","","0.71073","MoKα","","0.089","0.0467","","","0.1061","0.1289","","","","","","1.018","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331660","16.1644","0.0012","20.9967","0.0015","30.44","0.002","90","","90","","90","","10331.3","1.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55 H114 Co3 F12 O46 P9 S4 Zr3 -","- C55 H89 Co3 F12 O46 P9 S4 Zr3 -","- C220 H356 Co12 F48 O184 P36 S16 Zr12 -","4","1","","Yi,; Zhang, Qian-Feng; Lam, Tony C. H.; Chan, Eddie Y. Y.; Williams, Ian D.; Leung, Wa-Hung","Phosphato, Chromato, and Perrhenato Complexes of Titanium(IV) and Zirconium(IV) Containing Kläui's Tripodal Ligand","Inorganic Chemistry","2006","45","1","328","335","10.1021/ic051329u","","","0.71073","MoKα","","0.0729","0.0539","","","0.1357","0.1457","","","","","","1.055","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331662","12.7936","0.0016","14.5828","0.0018","22.458","0.003","90","","98.823","0.002","90","","4140.3","0.9","250","2","250","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H84 Co2 F12 O38 P6 S4 Zr2 -","- C38 H74 Co2 F12 O38 P6 S4 Zr2 -","- C76 H148 Co4 F24 O76 P12 S8 Zr4 -","2","0.5","","Yi,; Zhang, Qian-Feng; Lam, Tony C. H.; Chan, Eddie Y. Y.; Williams, Ian D.; Leung, Wa-Hung","Phosphato, Chromato, and Perrhenato Complexes of Titanium(IV) and Zirconium(IV) Containing Kläui's Tripodal Ligand","Inorganic Chemistry","2006","45","1","328","335","10.1021/ic051329u","","","0.71073","MoKα","","0.0829","0.0479","","","0.1124","0.1227","","","","","","1.01","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331664","6.751","0.002","9.865","0.004","11.549","0.005","109.95","0.03","96.11","0.03","108.22","0.03","666.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Mo2 O10 S6 -","- C20 H26 Mo2 O10 S6 -","- C20 H26 Mo2 O10 S6 -","1","0.5","","Rys, Andrzej Z.; Lebuis, Anne-Marie; Shaver, Alan","Rearrangement of Molybdocene Tetraoxotetrasulfide Cp2MoS4O4to Give [(Cp2MoS2H)2](HSO4)2: A Novel Proton-Stabilized Molybdocene Disulfide Dimer","Inorganic Chemistry","2006","45","1","341","344","10.1021/ic051332d","","","1.54056","Cukα","","0.0504","0.0463","","","0.1121","0.1152","","","","","","1.027","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331674","8.436","0.003","13.053","0.005","20.888","0.008","90","","94.846","0.006","90","","2291.9","1.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 N2 Ni O5 S2 W -","- C19 H28 N2 Ni O5 S2 W -","- C76 H112 N8 Ni4 O20 S8 W4 -","4","1","","Phelps, Andrea L.; Rampersad, Marilyn V.; Fitch, Shawn B.; Darensbourg, Marcetta Y.; Darensbourg, Donald J.","A Kinetic Study of the Ring-Opening Process in Tungsten Carbonyl Complexes Containing Hemilabile Metallodithiolate Ligands","Inorganic Chemistry","2006","45","1","119","126","10.1021/ic051367d","","","0.71073","MoKα","","0.0462","0.0431","","","0.1082","0.1105","","","","","","1.16","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331676","8.2978","0.0013","8.9555","0.0014","14.71","0.002","85.548","0.003","78.537","0.003","67.784","0.003","991.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Co N5 O4 -","- C19 H26 Co N5 O4 -","- C38 H52 Co2 N10 O8 -","2","1","","Siega, Patrizia; Randaccio, Lucio; Marzilli, Patricia A.; Marzilli, Luigi G.","Metal Coordination by Sterically Hindered Heterocyclic Ligands, Including 2-Vinylpyridine, Assessed by Investigation of Cobaloximes","Inorganic Chemistry","2006","45","8","3359","3368","10.1021/ic051383a","","","0.71073","MoKα","","0.1483","0.071","","","0.1116","0.1291","","","","","","1.042","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331677","9.0887","0.0013","9.2319","0.0013","11.9708","0.0017","86.525","0.003","88.95","0.003","61.918","0.003","884.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 Co N5 O4 -","- C15 H24 Co N5 O4 -","- C30 H48 Co2 N10 O8 -","2","1","","Siega, Patrizia; Randaccio, Lucio; Marzilli, Patricia A.; Marzilli, Luigi G.","Metal Coordination by Sterically Hindered Heterocyclic Ligands, Including 2-Vinylpyridine, Assessed by Investigation of Cobaloximes","Inorganic Chemistry","2006","45","8","3359","3368","10.1021/ic051383a","","","0.71073","MoKα","","0.1103","0.0616","","","0.1285","0.1406","","","","","","1.122","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331678","8.879","0.003","9.144","0.003","12.123","0.004","91.552","0.006","91.931","0.007","116.729","0.005","877.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Co N5 O4 -","- C16 H24 Co N5 O4 -","- C32 H48 Co2 N10 O8 -","2","1","","Siega, Patrizia; Randaccio, Lucio; Marzilli, Patricia A.; Marzilli, Luigi G.","Metal Coordination by Sterically Hindered Heterocyclic Ligands, Including 2-Vinylpyridine, Assessed by Investigation of Cobaloximes","Inorganic Chemistry","2006","45","8","3359","3368","10.1021/ic051383a","","","0.71073","MoKα","","0.169","0.0834","","","0.193","0.2256","","","","","","1.026","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331679","9.1131","0.0012","9.3076","0.0012","11.4675","0.0015","86.492","0.003","88.428","0.003","61.207","0.003","850.83","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Co N6 O4 -","- C14 H23 Co N6 O4 -","- C28 H46 Co2 N12 O8 -","2","1","","Siega, Patrizia; Randaccio, Lucio; Marzilli, Patricia A.; Marzilli, Luigi G.","Metal Coordination by Sterically Hindered Heterocyclic Ligands, Including 2-Vinylpyridine, Assessed by Investigation of Cobaloximes","Inorganic Chemistry","2006","45","8","3359","3368","10.1021/ic051383a","","","0.71073","MoKα","","0.1146","0.0802","","","0.1454","0.1575","","","","","","1.203","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331681","12.944","0.0013","12.944","0.0013","6.1728","0.0014","90","","90","","90","","1034.2","0.3","293.1","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C6 H10 Ni S4 -","- C6 H10 Ni S4 -","- C24 H40 Ni4 S16 -","4","0.5","","Kobayashi, Atsushi; Kojima, Takahiko; Ikeda, Ryuichi; Kitagawa, Hiroshi","Synthesis of a One-Dimensional Metal-Dimer Assembled System with Interdimer Interaction, M2(dtp)4(M = Ni, Pd; dtp = Dithiopropionato)","Inorganic Chemistry","2006","45","1","322","327","10.1021/ic051387f","","","0.71069","MoKα","","","0.0342","","","","0.1334","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331682","13.0892","0.0008","13.0892","0.0008","6.1636","0.0011","90","","90","","90","","1056","0.2","293.1","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C6 H10 Pd S4 -","- C6 H10 Pd S4 -","- C24 H40 Pd4 S16 -","4","0.5","","Kobayashi, Atsushi; Kojima, Takahiko; Ikeda, Ryuichi; Kitagawa, Hiroshi","Synthesis of a One-Dimensional Metal-Dimer Assembled System with Interdimer Interaction, M2(dtp)4(M = Ni, Pd; dtp = Dithiopropionato)","Inorganic Chemistry","2006","45","1","322","327","10.1021/ic051387f","","","0.71069","MoKα","","","0.0214","","","","0.0565","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331684","6.4321","0.0002","13.3584","0.0005","30.8313","0.0011","90","","91.8682","0.0011","90","","2647.7","0.16","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N8 Pt -","- C24 H30 N8 Pt -","- C96 H120 N32 Pt4 -","4","1","","Chang, Sheng-Yuan; Kavitha, Jakka; Li, Shih-Wen; Hsu, Chan-Shou; Chi, Yun; Yeh, Yu-Shan; Chou, Pi-Tai; Lee, Gene-Hsiang; Carty, Arthur J.; Tao, Yu-Tai; Chien, Chin-Hsiung","Platinum(II) Complexes with Pyridyl Azolate-Based Chelates: Synthesis, Structural Characterization, and Tuning of Photo- and Electrophosphorescence","Inorganic Chemistry","2006","45","1","137","146","10.1021/ic051393b","","","0.71073","MoKα","","0.0835","0.0531","","","0.113","0.1313","","","","","","1.095","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331686","18.1823","0.0003","20.034","0.0004","6.8846","0.0001","90","","92.5381","0.0011","90","","2505.35","0.07","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 F14 N6 Pt -","- C22 H10 F14 N6 Pt -","- C88 H40 F56 N24 Pt4 -","4","0.5","","Chang, Sheng-Yuan; Kavitha, Jakka; Li, Shih-Wen; Hsu, Chan-Shou; Chi, Yun; Yeh, Yu-Shan; Chou, Pi-Tai; Lee, Gene-Hsiang; Carty, Arthur J.; Tao, Yu-Tai; Chien, Chin-Hsiung","Platinum(II) Complexes with Pyridyl Azolate-Based Chelates: Synthesis, Structural Characterization, and Tuning of Photo- and Electrophosphorescence","Inorganic Chemistry","2006","45","1","137","146","10.1021/ic051393b","","","0.71073","MoKα","","0.0961","0.0563","","","0.1507","0.1799","","","","","","1.124","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331688","9.961","0.002","18.067","0.003","13.206","0.003","90","","102.72","0.003","90","","2318.3","0.8","453","2","453","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H28.67 B0.67 Cu0.67 F2.67 N2 P1.33 -","- C36 H28.6667 B0.666667 Cu0.666667 F2.66667 N2 P1.33333 -","- C108 H86 B2 Cu2 F8 N6 P4 -","3","1.5","","McCormick, Theresa; Jia, Wen-Li; Wang, Suning","Phosphorescent Cu(I) Complexes of 2-(2‘-pyridylbenzimidazolyl)benzene: Impact of Phosphine Ancillary Ligands on Electronic and Photophysical Properties of the Cu(I) Complexes","Inorganic Chemistry","2006","45","1","147","155","10.1021/ic051412h","","","0.71073","MoKα","","0.1031","0.0538","","","0.0996","0.1156","","","","","","0.997","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331690","15.919","0.004","15.664","0.003","17.884","0.004","90","","109.314","0.004","90","","4208.5","1.6","571","2","571","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","TM14/0.5CH2Cl2","","","- C44.5 H38 B Cl Cu F4 N3 P2 -","- C44.5 H37 B Cl Cu F4 N3 P2 -","- C178 H148 B4 Cl4 Cu4 F16 N12 P8 -","4","1","","McCormick, Theresa; Jia, Wen-Li; Wang, Suning","Phosphorescent Cu(I) Complexes of 2-(2‘-pyridylbenzimidazolyl)benzene: Impact of Phosphine Ancillary Ligands on Electronic and Photophysical Properties of the Cu(I) Complexes","Inorganic Chemistry","2006","45","1","147","155","10.1021/ic051412h","","","0.71073","MoKα","","0.1649","0.081","","","0.1974","0.2377","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331692","9.2812","0.0016","20.546","0.003","23.425","0.004","90","","90.608","0.003","90","","4466.7","1.3","453","2","453","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C54 H41 B Cu F4 N3 O P2 -","- C54 H41 B Cu F4 N3 O P2 -","- C216 H164 B4 Cu4 F16 N12 O4 P8 -","4","1","","McCormick, Theresa; Jia, Wen-Li; Wang, Suning","Phosphorescent Cu(I) Complexes of 2-(2‘-pyridylbenzimidazolyl)benzene: Impact of Phosphine Ancillary Ligands on Electronic and Photophysical Properties of the Cu(I) Complexes","Inorganic Chemistry","2006","45","1","147","155","10.1021/ic051412h","","","0.71073","MoKα","","0.0394","0.0356","","","0.077","0.078","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331694","13.261","0.003","22.435","0.005","17.237","0.004","90","","91.299","0.004","90","","5127","2","453","2","453","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H19.27 B0.36 Cl0.73 Cu0.36 N1.09 P0.73 -","- C21.7273 H15.6364 B0.363636 Cl0.545455 Cu0.363636 N1.09091 P0.727273 -","- C239 H172 B4 Cl6 Cu4 N12 P8 -","11","2.75","","McCormick, Theresa; Jia, Wen-Li; Wang, Suning","Phosphorescent Cu(I) Complexes of 2-(2‘-pyridylbenzimidazolyl)benzene: Impact of Phosphine Ancillary Ligands on Electronic and Photophysical Properties of the Cu(I) Complexes","Inorganic Chemistry","2006","45","1","147","155","10.1021/ic051412h","","","0.71073","MoKα","","0.1089","0.0649","","","0.1652","0.1929","","","","","","1.018","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331696","10.1884","0.0014","10.1884","0.0014","17.798","0.004","90","","90","","120","","1600","0.5","293","2","293","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- In26.28 Mg3.72 Rb14 -","- In26.277 Mg3.723 Rb14 -","- In26.277 Mg3.723 Rb14 -","1","0.0833333","","Li, Bin; Corbett, John D.","Syntheses, Structure, and Bonding of Rb14(Mg1-xInx)30. A Nonstoichiometric Phase with an Unusual Substitution in the Anion Framework","Inorganic Chemistry","2006","45","1","156","161","10.1021/ic0514290","","","0.71073","MoKα","","0.0516","0.0364","","","0.0591","0.0612","","","","","","1.138","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331697","10.1593","0.0003","10.1593","0.0003","17.7828","0.0011","90","","90","","120","","1589.49","0.12","566","2","566","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- In25.55 Mg4.45 Rb14 -","- In25.545 Mg4.455 Rb14 -","- In25.545 Mg4.455 Rb14 -","1","0.0833333","","Li, Bin; Corbett, John D.","Syntheses, Structure, and Bonding of Rb14(Mg1-xInx)30. A Nonstoichiometric Phase with an Unusual Substitution in the Anion Framework","Inorganic Chemistry","2006","45","1","156","161","10.1021/ic0514290","","","0.71073","MoKα","","0.0295","0.0267","","","0.0621","0.0769","","","","","","0.927","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331698","10.0652","0.0014","10.0652","0.0014","17.947","0.004","90","","90","","120","","1574.6","0.5","293","2","293","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- In23.73 Mg6.27 Rb14 -","- In23.763 Mg6.237 Rb14 -","- In23.763 Mg6.237 Rb14 -","1","0.0833333","","Li, Bin; Corbett, John D.","Syntheses, Structure, and Bonding of Rb14(Mg1-xInx)30. A Nonstoichiometric Phase with an Unusual Substitution in the Anion Framework","Inorganic Chemistry","2006","45","1","156","161","10.1021/ic0514290","","","0.71073","MoKα","","0.0334","0.0282","","","0.0537","0.0551","","","","","","0.963","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331699","10.0098","0.0014","10.0098","0.0014","17.592","0.004","90","","90","","120","","1526.5","0.5","293","2","293","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- In23.6 K6.79 Mg6.4 Rb7.21 -","- In23.607 K6.79 Mg6.393 Rb7.21 -","- In23.607 K6.79 Mg6.393 Rb7.21 -","1","0.0833333","","Li, Bin; Corbett, John D.","Syntheses, Structure, and Bonding of Rb14(Mg1-xInx)30. A Nonstoichiometric Phase with an Unusual Substitution in the Anion Framework","Inorganic Chemistry","2006","45","1","156","161","10.1021/ic0514290","","","0.71073","MoKα","","0.021","0.0197","","","0.0407","0.0419","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331700","10.0288","0.0003","10.0288","0.0003","17.7005","0.0009","90","","90","","120","","1541.75","0.1","566","2","566","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- In23.61 K4.76 Mg6.39 Rb9.24 -","- In23.61 K4.762 Mg6.39 Rb9.238 -","- In23.61 K4.762 Mg6.39 Rb9.238 -","1","0.0833333","","Li, Bin; Corbett, John D.","Syntheses, Structure, and Bonding of Rb14(Mg1-xInx)30. A Nonstoichiometric Phase with an Unusual Substitution in the Anion Framework","Inorganic Chemistry","2006","45","1","156","161","10.1021/ic0514290","","","0.71073","MoKα","","0.0212","0.019","","","0.038","0.0395","","","","","","1.033","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331703","13.2352","0.0009","11.0135","0.0009","13.1525","0.0012","90","","90","","90","","1917.2","0.3","100","2","100","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C37 H34 Cl2 F6 N2 O P3 Rh -","- C37 H34 Cl2 F6 N2 O P3 Rh -","- C74 H68 Cl4 F12 N4 O2 P6 Rh2 -","2","0.5","","Wajda-Hermanowicz, Katarzyna; Ciunik, Zbigniew; Kochel, Andrzej","Syntheses and Molecular Structure of Some Rh and Ru Complexes with the Chelating Diphenyl (2-Pyridyl)phosphine Ligand","Inorganic Chemistry","2006","45","8","3369","3377","10.1021/ic051442k","","","0.71073","MoKα","","0.0377","0.0342","","","0.0749","0.0762","","","","","","1.082","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331705","11.0841","0.0008","14.9184","0.0012","18.5128","0.0014","90","","90","","90","","3061.2","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Cl3 N2 P2 Rh -","- C34 H28 Cl3 N2 P2 Rh -","- C136 H112 Cl12 N8 P8 Rh4 -","4","1","","Wajda-Hermanowicz, Katarzyna; Ciunik, Zbigniew; Kochel, Andrzej","Syntheses and Molecular Structure of Some Rh and Ru Complexes with the Chelating Diphenyl (2-Pyridyl)phosphine Ligand","Inorganic Chemistry","2006","45","8","3369","3377","10.1021/ic051442k","","","0.71073","MoKα","","0.0677","0.0475","","","0.0484","0.0523","","","","","","0.92","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331707","9.046","0.002","21.331","0.004","16.04","0.003","90","","90.21","0.03","90","","3095.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl3 N2 P2 Ru -","- C34 H28 Cl3 N2 P2 Ru -","- C136 H112 Cl12 N8 P8 Ru4 -","4","1","","Wajda-Hermanowicz, Katarzyna; Ciunik, Zbigniew; Kochel, Andrzej","Syntheses and Molecular Structure of Some Rh and Ru Complexes with the Chelating Diphenyl (2-Pyridyl)phosphine Ligand","Inorganic Chemistry","2006","45","8","3369","3377","10.1021/ic051442k","","","0.71073","MoKα","","0.0964","0.0762","","","0.1693","0.18","","","","","","1.201","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331709","11.781","0.002","15.449","0.003","17.961","0.004","67.72","0.03","85.64","0.03","76.35","0.03","2939.2","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H44 Cl8 N3 P3 Ru -","- C53 H44 Cl8 N3 P3 Ru -","- C106 H88 Cl16 N6 P6 Ru2 -","2","1","","Wajda-Hermanowicz, Katarzyna; Ciunik, Zbigniew; Kochel, Andrzej","Syntheses and Molecular Structure of Some Rh and Ru Complexes with the Chelating Diphenyl (2-Pyridyl)phosphine Ligand","Inorganic Chemistry","2006","45","8","3369","3377","10.1021/ic051442k","","","0.71073","MoKα","","0.1223","0.0883","","","0.181","0.1948","","","","","","1.123","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331711","6.6397","0.0002","17.0068","0.0001","11.1684","0.0003","90","","105.636","0.002","90","","1214.47","0.05","164","2","164","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- As F11 H3 N Te -","- As F11 H3 N Te -","- As6 F66 H18 N6 Te6 -","6","1.5","","Fir, Barbara; Whalen, J. Marc; Mercier, Hélène P. A.; Dixon, David A.; Schrobilgen, Gary J.","Syntheses of [F5TeNH3][AsF6], [F5TeN(H)Xe][AsF6], and F5TeNF2and Characterization by Multi-NMR and Raman Spectroscopy and by Electronic Structure Calculations: The X-ray Crystal Structures of α- and β-F5TeNH2, [F5TeNH3][AsF6], and [F5TeN(H)Xe][AsF6]","Inorganic Chemistry","2006","45","5","1978","1996","10.1021/ic051451t","","","0.71073","MoKα","","0.0335","0.0271","","","0.0735","0.0763","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331712","5.3898","0.0003","7.058","0.0003","12.5326","0.0004","86.736","0.003","84.064","0.003","85.531","0.003","472.18","0.04","164","2","164","2","","","","","","","","6","P -1","-P 1","2","","","","- As F11 H N Te Xe -","- As F11 H N Te Xe -","- As2 F22 H2 N2 Te2 Xe2 -","2","1","","Fir, Barbara; Whalen, J. Marc; Mercier, Hélène P. A.; Dixon, David A.; Schrobilgen, Gary J.","Syntheses of [F5TeNH3][AsF6], [F5TeN(H)Xe][AsF6], and F5TeNF2and Characterization by Multi-NMR and Raman Spectroscopy and by Electronic Structure Calculations: The X-ray Crystal Structures of α- and β-F5TeNH2, [F5TeNH3][AsF6], and [F5TeN(H)Xe][AsF6]","Inorganic Chemistry","2006","45","5","1978","1996","10.1021/ic051451t","","","0.71073","MoKα","","0.0441","0.0373","","0.0972","0.0946","","","","1.08","1.132","1.132","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331713","6.404","0.005","6.404","0.005","6.404","0.005","90","","90","","90","","262.6","0.4","268","2","268","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- F5 H2 N Te -","- F4.98 N1.02 Te -","- F9.96 N2.04 Te2 -","2","0.0416667","","Fir, Barbara; Whalen, J. Marc; Mercier, Hélène P. A.; Dixon, David A.; Schrobilgen, Gary J.","Syntheses of [F5TeNH3][AsF6], [F5TeN(H)Xe][AsF6], and F5TeNF2and Characterization by Multi-NMR and Raman Spectroscopy and by Electronic Structure Calculations: The X-ray Crystal Structures of α- and β-F5TeNH2, [F5TeNH3][AsF6], and [F5TeN(H)Xe][AsF6]","Inorganic Chemistry","2006","45","5","1978","1996","10.1021/ic051451t","","","0.71073","MoKα","","0.0318","0.0317","","","0.0993","0.0993","","","","","","0.905","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331714","5.163","0.002","9.083","0.004","5.262","0.002","90","","112.223","0.008","90","","228.43","0.16","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- F5 H2 N Te -","- F5 H2 N Te -","- F10 H4 N2 Te2 -","2","1","","Fir, Barbara; Whalen, J. Marc; Mercier, Hélène P. A.; Dixon, David A.; Schrobilgen, Gary J.","Syntheses of [F5TeNH3][AsF6], [F5TeN(H)Xe][AsF6], and F5TeNF2and Characterization by Multi-NMR and Raman Spectroscopy and by Electronic Structure Calculations: The X-ray Crystal Structures of α- and β-F5TeNH2, [F5TeNH3][AsF6], and [F5TeN(H)Xe][AsF6]","Inorganic Chemistry","2006","45","5","1978","1996","10.1021/ic051451t","","","0.71073","MoKα","","0.0463","0.0413","","","0.1118","0.1147","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331716","11.281","0.002","16.228","0.006","9.338","0.002","96.33","0.02","107.34","0.02","73.03","0.02","1560.2","0.8","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H32 B N6 O2 P S2 W -","- C28 H32 B N6 O2 P S2 W -","- C56 H64 B2 N12 O4 P2 S4 W2 -","2","1","","Thomas, Simon; Tiekink, Edward R. T.; Young, Charles G.","π-Acid/π-Base Carbonyloxo, Carbonylsulfido, and Mixed-Valence Complexes of Tungsten","Inorganic Chemistry","2006","45","1","352","361","10.1021/ic051456q","","","0.71069","MoKalpha","","0.072","0.035","","","0.074","0.083","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331718","32.242","0.006","41.145","0.006","10.352","0.004","90","","90","","90","","13733","6","293","","293","","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C28.5 H32.5 B Cl1.5 N6 O P S3 W -","- C28.5 H32 B Cl1.5 N6 O P S3 W -","- C456 H512 B16 Cl24 N96 O16 P16 S48 W16 -","16","1","","Thomas, Simon; Tiekink, Edward R. T.; Young, Charles G.","π-Acid/π-Base Carbonyloxo, Carbonylsulfido, and Mixed-Valence Complexes of Tungsten","Inorganic Chemistry","2006","45","1","352","361","10.1021/ic051456q","","","0.71069","MoKalpha","","0.055","0.037","","","0.086","0.092","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331720","13.348","0.001","13.962","0.002","12.275","0.002","93.97","0.01","97.55","0.01","97.3","0.01","2240.8","0.5","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C31.5 H45 B2 Cl I2 N12 O3 W2 -","- C31.5 H45 B2 Cl I2 N12 O3 W2 -","- C63 H90 B4 Cl2 I4 N24 O6 W4 -","2","1","","Thomas, Simon; Tiekink, Edward R. T.; Young, Charles G.","π-Acid/π-Base Carbonyloxo, Carbonylsulfido, and Mixed-Valence Complexes of Tungsten","Inorganic Chemistry","2006","45","1","352","361","10.1021/ic051456q","","","0.71069","MoKα","","0.12","0.053","","","0.142","0.167","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331725","11.9326","0.001","23.378","0.002","13.2564","0.0016","90","","102.829","0.009","90","","3605.7","0.6","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 I2 N6 O5 Ru -","- C36 H32 I2 N6 O5 Ru -","- C144 H128 I8 N24 O20 Ru4 -","4","1","","Marton, Andras; Clark, Christopher C.; Srinivasan, Ramya; Freundlich, Robert E.; Narducci Sarjeant, Amy A.; Meyer, Gerald J.","Static and Dynamic Quenching of Ru(II) Polypyridyl Excited States by Iodide","Inorganic Chemistry","2006","45","1","362","369","10.1021/ic051467j","","","0.71073","MoKα","","0.1097","0.0826","","","0.1533","0.1684","","","","","","1.167","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331726","12.0351","0.0011","23.6776","0.0014","13.7825","0.0014","90","","100.262","0.008","90","","3864.7","0.6","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 F12 N6 O4 P2 Ru -","- C36 H32 F12 N6 O4 P2 Ru -","- C144 H128 F48 N24 O16 P8 Ru4 -","4","1","","Marton, Andras; Clark, Christopher C.; Srinivasan, Ramya; Freundlich, Robert E.; Narducci Sarjeant, Amy A.; Meyer, Gerald J.","Static and Dynamic Quenching of Ru(II) Polypyridyl Excited States by Iodide","Inorganic Chemistry","2006","45","1","362","369","10.1021/ic051467j","","","0.71073","MoKα","","0.1374","0.0958","","","0.1208","0.1353","","","","","","1.218","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4331728","24.524","0.005","23.142","0.005","22.978","0.005","90","","90","","90","","13041","5","173","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C53 H120 Cr2 O4 Si4 -","- C53 H120 Cr2 O4 Si4 -","- C424 H960 Cr16 O32 Si32 -","8","2","","Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana; Cundari, Thomas R.","The Butterfly Dimer [(tBu3SiO)Cr]2(μ-OSitBu3)2and Its Oxidative Cleavage to (tBu3SiO)2Cr(N−NCPh2)2and (tBu3SiO)2CrN(2,6-Ph2-C6H3)","Inorganic Chemistry","2006","45","5","2008","2021","10.1021/ic051481w","","","0.71073","MoKα","","0.12","0.0652","","","0.1432","0.1755","","","","","","1.037","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331730","24.474","0.003","9.4762","0.0013","11.7561","0.0013","90","","113.785","0.013","90","","2494.9","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H37 Cr0.5 O2 Si -","- C25 H37 Cr0.5 O2 Si -","- C100 H148 Cr2 O8 Si4 -","4","1","","Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana; Cundari, Thomas R.","The Butterfly Dimer [(tBu3SiO)Cr]2(μ-OSitBu3)2and Its Oxidative Cleavage to (tBu3SiO)2Cr(N−NCPh2)2and (tBu3SiO)2CrN(2,6-Ph2-C6H3)","Inorganic Chemistry","2006","45","5","2008","2021","10.1021/ic051481w","","","0.71073","MoKα","","0.0767","0.0632","","","0.1664","0.1771","","","","","","1.244","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331732","12.705","0.0017","18.89","0.003","13.1447","0.0018","90","","116.852","0.003","90","","2814.5","0.7","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C55 H86 Cr N4 O2 Si2 -","- C55 H86 Cr N4 O2 Si2 -","- C110 H172 Cr2 N8 O4 Si4 -","2","1","","Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana; Cundari, Thomas R.","The Butterfly Dimer [(tBu3SiO)Cr]2(μ-OSitBu3)2and Its Oxidative Cleavage to (tBu3SiO)2Cr(N−NCPh2)2and (tBu3SiO)2CrN(2,6-Ph2-C6H3)","Inorganic Chemistry","2006","45","5","2008","2021","10.1021/ic051481w","","","0.71073","MoKα","","0.066","0.0449","","","0.0906","0.0989","","","","","","0.979","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331735","13.0755","0.0006","15.5264","0.0006","21.387","0.0011","90","","90","","90","","4341.9","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H67 Cr N O2 Si2 -","- C42 H67 Cr N O2 Si2 -","- C168 H268 Cr4 N4 O8 Si8 -","4","1","","Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana; Cundari, Thomas R.","The Butterfly Dimer [(tBu3SiO)Cr]2(μ-OSitBu3)2and Its Oxidative Cleavage to (tBu3SiO)2Cr(N−NCPh2)2and (tBu3SiO)2CrN(2,6-Ph2-C6H3)","Inorganic Chemistry","2006","45","5","2008","2021","10.1021/ic051481w","","","0.71073","MoKα","","0.0565","0.0413","","","0.1071","0.1153","","","","","","0.96","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4331738","8.4738","0.0001","13.6757","0.0003","19.525","0.0005","70.772","0.0011","84.544","0.0015","72.697","0.0014","2039.74","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H20 F15 Mo N4 O -","- C49 H20 F15 Mo N4 O -","- C98 H40 F30 Mo2 N8 O2 -","2","1","","Luobeznova, Inna; Raizman, Marina; Goldberg, Israel; Gross, Zeev","Synthesis and Full Characterization of Molybdenum and Antimony Corroles and Utilization of the Latter Complexes as Very Efficient Catalysts for Highly Selective Aerobic Oxygenation Reactions","Inorganic Chemistry","2006","45","1","386","394","10.1021/ic051483g","","","0.71073","MoKα","","0.0571","0.0413","","","0.0956","0.1049","","","","","","1.025","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331740","18.1025","0.00011","15.6779","0.0002","13.9353","0.0002","90","","112.172","0.0005","90","","3662.51","0.07","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H16 F17 N4 O Sb -","- C41 H16 F17 N4 O Sb -","- C164 H64 F68 N16 O4 Sb4 -","4","1","","Luobeznova, Inna; Raizman, Marina; Goldberg, Israel; Gross, Zeev","Synthesis and Full Characterization of Molybdenum and Antimony Corroles and Utilization of the Latter Complexes as Very Efficient Catalysts for Highly Selective Aerobic Oxygenation Reactions","Inorganic Chemistry","2006","45","1","386","394","10.1021/ic051483g","","","0.71073","MoKα","","0.0431","0.0353","","","0.0896","0.0952","","","","","","1.075","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331742","12.052","0.005","36.352","0.014","20.134","0.009","90","","100.545","0.018","90","","8672","6","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H46.5 Cl N0.5 O2 P2 Ru S4 -","- C45.5 H43.5 Cl N0.5 O2 P2 Ru S4 -","- C364 H348 Cl8 N4 O16 P16 Ru8 S32 -","8","2","","Noda, Kyoko; Ohuchi, Yuko; Hashimoto, Akira; Fujiki, Masayuki; Itoh, Sumitaka; Iwatsuki, Satoshi; Noda, Toshiaki; Suzuki, Takayoshi; Kashiwabara, Kazuo; Takagi, Hideo D.","Syntheses, Structural Determinations of [Ru(ROCS2)2(PPh3)2]+/0Pairs, and Kinetic Analyses of Thermal Reactions Involving Transienttrans-[Ru(iPrOCS2)2(PPh3)2] Species (ROCS2-= Ethyl- or Isopropyldithiocarbonate and PPh3= Triphenylphosphine)","Inorganic Chemistry","2006","45","3","1349","1355","10.1021/ic051487l","","","0.71075","MoKα","","0.0658","0.0438","","","0.1206","0.1251","","","","","","0.951","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331744","11.336","0.007","11.415","0.008","19.347","0.013","76.77","0.05","75.76","0.05","76.49","0.05","2320","3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 F6 O3 P3 Ru S4 -","- C44 H44 F6 O3 P3 Ru S4 -","- C88 H88 F12 O6 P6 Ru2 S8 -","2","1","","Noda, Kyoko; Ohuchi, Yuko; Hashimoto, Akira; Fujiki, Masayuki; Itoh, Sumitaka; Iwatsuki, Satoshi; Noda, Toshiaki; Suzuki, Takayoshi; Kashiwabara, Kazuo; Takagi, Hideo D.","Syntheses, Structural Determinations of [Ru(ROCS2)2(PPh3)2]+/0Pairs, and Kinetic Analyses of Thermal Reactions Involving Transienttrans-[Ru(iPrOCS2)2(PPh3)2] Species (ROCS2-= Ethyl- or Isopropyldithiocarbonate and PPh3= Triphenylphosphine)","Inorganic Chemistry","2006","45","3","1349","1355","10.1021/ic051487l","","","0.71075","MoKα","","0.1026","0.0744","","","0.2177","0.224","","","","","","1.257","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331747","11.818","0.007","11.355","0.007","14.866","0.009","90","","112.052","0.011","90","","1849","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H24 N3 O12 P3 U -","- C9 H24 N3 O12 P3 U -","- C36 H96 N12 O48 P12 U4 -","4","1","","Bao, Song-Song; Chen, Gang-Sheng; Wang, Yin; Li, Yi-Zhi; Zheng, Li-Min; Luo, Qin-Hui","Incorporation of Triazacyclononane into the Metal Phosphonate Backbones","Inorganic Chemistry","2006","45","3","1124","1129","10.1021/ic051498e","","","0.71073","MoKα","","0.0685","0.053","","","0.1171","0.1219","","","","","","1.084","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331749","9.3049","0.0014","9.3049","0.0014","47.88","0.011","90","","90","","120","","3590.1","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H33 Mn3 N3 O16.5 P3 -","- C9 H33 Mn3 N3 O16.5 P3 -","- C54 H198 Mn18 N18 O99 P18 -","6","0.333333","","Bao, Song-Song; Chen, Gang-Sheng; Wang, Yin; Li, Yi-Zhi; Zheng, Li-Min; Luo, Qin-Hui","Incorporation of Triazacyclononane into the Metal Phosphonate Backbones","Inorganic Chemistry","2006","45","3","1124","1129","10.1021/ic051498e","","","0.71073","MoKα","","0.0709","0.0516","","","0.1025","0.1058","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331752","9.33","0.0002","17.701","0.0004","9.9319","0.0002","90","","101.221","0.001","90","","1608.9","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","η^2^-[1,1,1,3,3,5,5,5-Octamethyl-2,4-bis(trimethylsilyl)pentasilane- 2,4-diolato]-η^1^-dichloro-titanium","","- C14 H42 Cl2 O2 Si7 Ti -","- C14 H42 Cl2 O2 Si7 Ti -","- C28 H84 Cl4 O4 Si14 Ti2 -","2","1","","Krempner, C.; Köckerling, M.; Reinke, H.; Weichert, K.","Trisilane-1,3-diolato Complexes of Ti and Zr: Syntheses and X-ray Crystal Structures†","Inorganic Chemistry","2006","45","8","3203","3211","10.1021/ic0514997","","","0.71073","MoKα","","0.037","0.0271","","","0.0663","0.0697","","","","","","1.037","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331753","10.4226","0.0002","22.8237","0.0004","17.9217","0.0003","90","","105.524","0.001","90","","4107.72","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","η^2^-[1,1,1,3,3,5,5,5-Octamethyl-2,4-bis(trimethylsilyl)pentasilane- 2,4-diolato]-η^1^-dichloro- η^1^-bis(tetrahydrofuranato)-zirconium","","- C22 H58 Cl2 O4 Si7 Zr -","- C22 H58 Cl2 O4 Si7 Zr -","- C88 H232 Cl8 O16 Si28 Zr4 -","4","1","","Krempner, C.; Köckerling, M.; Reinke, H.; Weichert, K.","Trisilane-1,3-diolato Complexes of Ti and Zr: Syntheses and X-ray Crystal Structures†","Inorganic Chemistry","2006","45","8","3203","3211","10.1021/ic0514997","","","0.71073","MoKα","","0.0391","0.0344","","","0.0842","0.0923","","","","","","1.07","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331754","12.3918","0.0004","16.855","0.0005","18.0253","0.0005","90","","106.144","0.001","90","","3616.37","0.19","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","η^2^-[1,1,1,3,3,5,5,5-Octamethyl-2,4-bis(trimethylsilyl)pentasilane- 2,4-diolato]-η^2^-dichloro- η^1^-tetrachloro-dititanium","","- C14 H42 Cl6 O2 Si7 Ti2 -","- C14 H42 Cl6 O2 Si7 Ti2 -","- C56 H168 Cl24 O8 Si28 Ti8 -","4","1","","Krempner, C.; Köckerling, M.; Reinke, H.; Weichert, K.","Trisilane-1,3-diolato Complexes of Ti and Zr: Syntheses and X-ray Crystal Structures†","Inorganic Chemistry","2006","45","8","3203","3211","10.1021/ic0514997","","","0.71073","MoKα","","0.0218","0.02","","","0.0519","0.0532","","","","","","1.061","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331755","10.084","0.0003","10.1608","0.0003","15.8011","0.0005","79.403","0.002","88.393","0.002","86.56","0.002","1588.29","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","η^2^-[1,1,1,3,3,5,5,5-Octamethyl-2,4-bis(trimethylsilyl)pentasilane- 2,4-diolato]-η^1^-dimethyl-titanium","","- C16 H48 O2 Si7 Ti -","- C16 H48 O2 Si7 Ti -","- C32 H96 O4 Si14 Ti2 -","2","1","","Krempner, C.; Köckerling, M.; Reinke, H.; Weichert, K.","Trisilane-1,3-diolato Complexes of Ti and Zr: Syntheses and X-ray Crystal Structures†","Inorganic Chemistry","2006","45","8","3203","3211","10.1021/ic0514997","","","0.71073","MoKα","","0.0275","0.0242","","","0.0639","0.0688","","","","","","1.086","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331756","12.7493","0.0003","12.7949","0.0003","12.9031","0.0003","84.047","0.001","76.721","0.001","62.455","0.001","1816.34","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis-{η^2^-[1,1,1,3,3,5,5,5-octamethyl-2,4-bis(trimethylsilyl)pentasilane- 2,4-diolato]}-η^1^-bis(pentafluorophenyl)-η^2^-oxo-dititanium","","- C40 H84 F10 O5 Si14 Ti2 -","- C40 H84 F10 O5 Si14 Ti2 -","- C40 H84 F10 O5 Si14 Ti2 -","1","0.5","","Krempner, C.; Köckerling, M.; Reinke, H.; Weichert, K.","Trisilane-1,3-diolato Complexes of Ti and Zr: Syntheses and X-ray Crystal Structures†","Inorganic Chemistry","2006","45","8","3203","3211","10.1021/ic0514997","","","0.71073","MoKα","","0.0414","0.0339","","","0.0878","0.0952","","","","","","1.028","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331758","9.11","0.018","9.07","0.02","12.143","0.018","70.29","0.15","68.29","0.14","77.8","0.18","873","3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H44 N9 O13 Ru3 S6 -","- C12 H36 N9 O13 Ru3 S6 -","- C12 H36 N9 O13 Ru3 S6 -","1","0.5","","Matsuura, Noriyuki; Igashira-Kamiyama, Asako; Kawamoto, Tatsuya; Konno, Takumi","Linear-Type S-Bridged Triruthenium Complexes with Aliphatic Aminothiolate Ligands: Synthesis, Characterization, and Properties","Inorganic Chemistry","2006","45","1","401","408","10.1021/ic0515002","","","0.71075","MoKα","","0.0416","0.0312","","","0.0741","0.0792","","","","","","1.001","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4331759","11.482","0.013","12.397","0.016","13.221","0.01","68.77","0.05","69.73","0.05","71.59","0.03","1606","3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H43 N9 O12.5 Ru3 S6 -","- C12 H35.5 N9 O12.5 Ru3 S6 -","- C24 H71 N18 O25 Ru6 S12 -","2","1","","Matsuura, Noriyuki; Igashira-Kamiyama, Asako; Kawamoto, Tatsuya; Konno, Takumi","Linear-Type S-Bridged Triruthenium Complexes with Aliphatic Aminothiolate Ligands: Synthesis, Characterization, and Properties","Inorganic Chemistry","2006","45","1","401","408","10.1021/ic0515002","","","0.71075","MoKα","","0.0679","0.052","","","0.1475","0.1779","","","","","","1.136","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331761","7.1328","0.0015","20.059","0.004","10.117","0.002","90","","110.642","0.003","90","","1354.6","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Cd2 N2 O14 -","- C26 H24 Cd2 N2 O14 -","- C52 H48 Cd4 N4 O28 -","2","1","","Zang, Shuangquan; Su, Yang; Li, Yizhi; Ni, Zhaoping; Meng, Qingjin","Assemblies of a New Flexible Multicarboxylate Ligand and d10Metal Centers toward the Construction of Homochiral Helical Coordination Polymers: Structures, Luminescence, and NLO-Active Properties","Inorganic Chemistry","2006","45","1","174","180","10.1021/ic051502m","","","0.71073","MoKα","","0.0571","0.0465","","","0.089","0.0908","","","","","","1.077","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331763","11.5165","0.0001","18.0618","0.0002","19.6211","0.0002","90","","90","","90","","4081.36","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","h03prr6","","","- C52 H36 Au2 O P2 -","- C52 H36 Au2 O P2 -","- C208 H144 Au8 O4 P8 -","4","1","","de la Riva, Héctor; Nieuwhuyzen, Mark; Mendicute Fierro, Claudio; Raithby, Paul R.; Male, Louise; Lagunas, M. Cristina","A New Type of Luminescent Alkynyl Au4Cu2Cluster†","Inorganic Chemistry","2006","45","4","1418","1420","10.1021/ic051503e","","","0.71073","MoKα","","0.0402","0.031","","","0.0757","0.0971","","","","","","1.133","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331767","11.007","0.0002","20.624","0.0003","16.776","0.0003","90","","101.461","0.0007","90","","3732.36","0.11","90","0.2","90","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H84 Mn3 Mo2 N28 O12 -","- C52 H84 Mn3 Mo2 N28 O12 -","- C104 H168 Mn6 Mo4 N56 O24 -","2","0.5","","Withers, Jeffrey R.; Li, Dongfeng; Triplet, Jeremy; Ruschman, Chad; Parkin, Sean; Wang, Guangbin; Yee, Gordon T.; Holmes, Stephen M.","A Two-Dimensional Octacyanomolybdate(V)-Based Ferrimagnet: {[MnII(DMF)4]3[MoV(CN)8]2}n","Inorganic Chemistry","2006","45","11","4307","4309","10.1021/ic0515251","","","0.71073","MoKα","","0.0616","0.0381","","","0.0829","0.0911","","","","","","1.49","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4331769","14.558","0.001","3.8556","0.0003","15.558","0.001","90","","96.876","0.001","90","","866.99","0.11","296","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- Fe1.48 In10.02 Pb5.5 S22 -","- Fe1.476 In10.024 Pb5.5 S22 -","- Fe1.476 In10.024 Pb5.5 S22 -","1","0.25","","Matsushita, Yoshitaka; Ueda, Yutaka","Crystal Structure and Physical Properties of Fe1.5Pb5.5In10S22","Inorganic Chemistry","2006","45","5","2022","2026","10.1021/ic0515296","","","0.71073","MoKα","","0.05806","0.03782","","","0.0663","0.06736","","","","","","1.448","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331771","25.225","0.002","10.296","0.0004","15.952","0.0019","90","","122.897","0.008","90","","3478.7","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 N4 O8 Ru2 -","- C34 H40 N4 O8 Ru2 -","- C136 H160 N16 O32 Ru8 -","4","0.5","","Maji, Somnath; Sarkar, Biprajit; Patra, Srikanta; Fiedler, Jan; Mobin, Shaikh M.; Puranik, Vedavati G.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Metal-Induced Reductive Ring Opening of 1,2,4,5-Tetrazines: Three Resulting Coordination Alternatives, Including the New Non-Innocent 1,2-Diiminohydrazido(2−) Bridging Ligand System","Inorganic Chemistry","2006","45","3","1316","1325","10.1021/ic051532p","","","0.71073","MoKα","","0.1054","0.0445","","","0.0882","0.1039","","","","","","1.03","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331773","13.4778","0.0002","7.414","0.0001","7.444","0.0001","90","","98.233","0.001","90","","736.171","0.018","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","Strontium Gallium Nitride carbodiimide","Strontium Gallium Nitride Carbodiimide","","- C Ga N5 Sr4 -","- C Ga N5 Sr4 -","- C4 Ga4 N20 Sr16 -","4","1","","Mallinson, Phillip M.; Gál, Zoltán A.; Clarke, Simon J.","Two New Structurally Related Strontium Gallium Nitrides: Sr4GaN3O and Sr4GaN3(CN2)","Inorganic Chemistry","2006","45","1","419","423","10.1021/ic051542q","","x-ray","0.71073","MoKα","","0.0392","0.0284","","","0.0675","0.0905","","","","","","1.158","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331775","7.4002","0.0001","24.3378","0.0005","7.4038","0.0001","90","","90","","90","","1333.46","0.04","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","Strontium Gallium OxyNitride","Strontium Gallium OxyNitride","","- Ga N3 O Sr4 -","- Ga N3 O Sr4 -","- Ga8 N24 O8 Sr32 -","8","1","","Mallinson, Phillip M.; Gál, Zoltán A.; Clarke, Simon J.","Two New Structurally Related Strontium Gallium Nitrides: Sr4GaN3O and Sr4GaN3(CN2)","Inorganic Chemistry","2006","45","1","419","423","10.1021/ic051542q","","x-ray","0.71073","MoKα","","0.06","0.0388","","","0.0868","0.0935","","","","","","1.094","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331779","12.447","0.0005","18.171","0.0008","24.0671","0.001","90","","98.038","0.001","90","","5389.9","0.4","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H84 B5 Li O2 P4 Ti2 -","- C40 H84 B5 Li O2 P4 Ti2 -","- C160 H336 B20 Li4 O8 P16 Ti8 -","4","1","","Goedde, Dean M.; Girolami, Gregory S.","Titanium(II) and Titanium(III) Tetrahydroborates. Crystal Structures of [Li(Et2O)2][Ti2(BH4)5(PMe2Ph)4], Ti(BH4)3(PMe2Ph)2, and Ti(BH4)3(PEt3)2","Inorganic Chemistry","2006","45","3","1380","1388","10.1021/ic051556w","","","0.71073","MoKα","","0.2839","0.0929","","","0.1416","0.1976","","","","","","0.927","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4331782","8.0034","0.0013","18.148","0.003","30.347","0.008","86.89","0.02","83.636","0.012","84.104","0.012","4353.3","1.5","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H42 B3 P2 Ti -","- C12 H41 B3 P2 Ti -","- C96 H328 B24 P16 Ti8 -","8","4","","Goedde, Dean M.; Girolami, Gregory S.","Titanium(II) and Titanium(III) Tetrahydroborates. Crystal Structures of [Li(Et2O)2][Ti2(BH4)5(PMe2Ph)4], Ti(BH4)3(PMe2Ph)2, and Ti(BH4)3(PEt3)2","Inorganic Chemistry","2006","45","3","1380","1388","10.1021/ic051556w","","","0.71073","MoKα","","0.1641","0.0714","","","0.1834","0.2113","","","","","","0.9","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4331785","14.4241","0.0016","12.714","0.002","13.38","0.002","90","","116.38","0.012","90","","2198.2","0.6","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 B3 P2 Ti -","- C16 H34 B3 P2 Ti -","- C64 H136 B12 P8 Ti4 -","4","0.5","","Goedde, Dean M.; Girolami, Gregory S.","Titanium(II) and Titanium(III) Tetrahydroborates. Crystal Structures of [Li(Et2O)2][Ti2(BH4)5(PMe2Ph)4], Ti(BH4)3(PMe2Ph)2, and Ti(BH4)3(PEt3)2","Inorganic Chemistry","2006","45","3","1380","1388","10.1021/ic051556w","","","0.71073","MoKα","","0.032","0.0272","","","0.0687","0.0694","","","","","","1.049","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331787","11.3894","0.0013","11.5985","0.0018","11.7351","0.0017","77.968","0.01","61.694","0.008","86.258","0.009","1333.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Eu N2 O8 -","- C24 H22 Eu N2 O8 -","- C48 H44 Eu2 N4 O16 -","2","1","","Yang, Jin; Yue, Qi; Li, Guo-Dong; Cao, Jun-Jun; Li, Guang-Hua; Chen, Jie-Sheng","Structures, Photoluminescence, Up-Conversion, and Magnetism of 2D and 3D Rare-Earth Coordination Polymers with Multicarboxylate Linkages","Inorganic Chemistry","2006","45","7","2857","2865","10.1021/ic051557o","","","0.71073","MoKα","","0.1176","0.0601","","","0.1117","0.1312","","","","","","0.906","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331789","11.465","0.002","11.704","0.002","23.342","0.005","79.08","0.03","87.29","0.03","62.07","0.03","2714.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 N4 Nd2 O17 -","- C48 H46 N4 Nd2 O17 -","- C96 H92 N8 Nd4 O34 -","2","1","","Yang, Jin; Yue, Qi; Li, Guo-Dong; Cao, Jun-Jun; Li, Guang-Hua; Chen, Jie-Sheng","Structures, Photoluminescence, Up-Conversion, and Magnetism of 2D and 3D Rare-Earth Coordination Polymers with Multicarboxylate Linkages","Inorganic Chemistry","2006","45","7","2857","2865","10.1021/ic051557o","","","0.71073","MoKα","","0.0724","0.0512","","","0.1536","0.1709","","","","","","1.078","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331791","11.5541","0.0009","11.7802","0.001","23.5745","0.0015","79.366","0.005","87.169","0.005","62","0.005","2781.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H47 La2 N4 O16.5 -","- C48 H46 La2 N4 O16.5 -","- C96 H92 La4 N8 O33 -","2","1","","Yang, Jin; Yue, Qi; Li, Guo-Dong; Cao, Jun-Jun; Li, Guang-Hua; Chen, Jie-Sheng","Structures, Photoluminescence, Up-Conversion, and Magnetism of 2D and 3D Rare-Earth Coordination Polymers with Multicarboxylate Linkages","Inorganic Chemistry","2006","45","7","2857","2865","10.1021/ic051557o","","","0.71073","MoKα","","0.0922","0.0518","","","0.1019","0.1161","","","","","","0.915","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331793","10.3627","0.0015","10.3627","0.0015","14.332","0.003","90","","90","","90","","1539","0.5","293","2","293","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C4.5 H2.5 Eu0.5 O3.5 -","- C4.5 H1.5 Eu0.5 O3.5 -","- C36 H12 Eu4 O28 -","8","1","","Yang, Jin; Yue, Qi; Li, Guo-Dong; Cao, Jun-Jun; Li, Guang-Hua; Chen, Jie-Sheng","Structures, Photoluminescence, Up-Conversion, and Magnetism of 2D and 3D Rare-Earth Coordination Polymers with Multicarboxylate Linkages","Inorganic Chemistry","2006","45","7","2857","2865","10.1021/ic051557o","","","0.71073","MoKα","","0.0517","0.0404","","","0.0904","0.0926","","","","","","0.953","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331795","12.845","0.002","15.074","0.003","16.198","0.003","67.03","0.03","70.3","0.03","73.19","0.03","2673.3","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H52 In2 N6 O4 P4 -","- C56 H52 In2 N6 O4 P4 -","- C112 H104 In4 N12 O8 P8 -","2","1","","Moya-Cabrera, Mónica; Jancik, Vojtech; Castro, Rafael A.; Herbst-Irmer, Regine; Roesky, Herbert W.","Unusual In2N4Cores in Complexes Containing Triazole-Based Chalcogen−Phosphoranyl Ligands","Inorganic Chemistry","2006","45","13","5167","5171","10.1021/ic051567p","","","1.54178","CuKα","","0.0826","0.0569","","","0.138","0.1546","","","","","","1.022","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331797","11.431","0.003","11.503","0.003","11.741","0.003","86.24","0.03","85.73","0.03","63.71","0.03","1379.4","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H52 In2 N6 P4 S4 -","- C56 H52 In2 N6 P4 S4 -","- C56 H52 In2 N6 P4 S4 -","1","0.5","","Moya-Cabrera, Mónica; Jancik, Vojtech; Castro, Rafael A.; Herbst-Irmer, Regine; Roesky, Herbert W.","Unusual In2N4Cores in Complexes Containing Triazole-Based Chalcogen−Phosphoranyl Ligands","Inorganic Chemistry","2006","45","13","5167","5171","10.1021/ic051567p","","","1.54178","CuKα","","0.0175","0.0171","","","0.0444","0.0459","","","","","","1.058","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331799","8.266","0.002","12.569","0.003","16.847","0.003","74.98","0.03","79.71","0.03","72.69","0.03","1604.1","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H68 In2 N6 O4 P4 Se2 -","- C64 H68 In2 N6 O4 P4 Se2 -","- C64 H68 In2 N6 O4 P4 Se2 -","1","0.5","","Moya-Cabrera, Mónica; Jancik, Vojtech; Castro, Rafael A.; Herbst-Irmer, Regine; Roesky, Herbert W.","Unusual In2N4Cores in Complexes Containing Triazole-Based Chalcogen−Phosphoranyl Ligands","Inorganic Chemistry","2006","45","13","5167","5171","10.1021/ic051567p","","","1.54178","CuKα","","0.0422","0.032","","","0.0701","0.0737","","","","","","1.046","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331801","16.39","0.005","18.811","0.005","22.252","0.006","90","","103.588","0.004","90","","6669","3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C108 H172 Cl8 Li4 N24 O20 S4 Zn4 -","- C108 H172 Cl8 Li4 N24 O20 S4 Zn4 -","- C216 H344 Cl16 Li8 N48 O40 S8 Zn8 -","2","0.5","","Papish, Elizabeth T.; Taylor, Michael T.; Jernigan, Finith E.; Rodig, Michael J.; Shawhan, Robert R.; Yap, Glenn P. A.; Jové, Fernando A.","Synthesis of Zinc, Copper, Nickel, Cobalt, and Iron Complexes Using Tris(pyrazolyl)methane Sulfonate Ligands: A Structural Model for N,N,O Binding in Metalloenzymes","Inorganic Chemistry","2006","45","5","2242","2250","10.1021/ic051579a","","","0.71073","MoKα","","0.0604","0.044","","","0.0965","0.1042","","","","","","1.029","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331804","13.92","0.005","14.223","0.005","14.96","0.005","114.18","0.004","91.834","0.004","119.222","0.004","2255.8","1.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H108 N24 Na4 O12 S4 -","- C76 H108 N24 Na4 O12 S4 -","- C76 H108 N24 Na4 O12 S4 -","1","0.5","","Papish, Elizabeth T.; Taylor, Michael T.; Jernigan, Finith E.; Rodig, Michael J.; Shawhan, Robert R.; Yap, Glenn P. A.; Jové, Fernando A.","Synthesis of Zinc, Copper, Nickel, Cobalt, and Iron Complexes Using Tris(pyrazolyl)methane Sulfonate Ligands: A Structural Model for N,N,O Binding in Metalloenzymes","Inorganic Chemistry","2006","45","5","2242","2250","10.1021/ic051579a","","","0.71073","MoKα","","0.0789","0.055","","","0.1229","0.1388","","","","","","1.01","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331807","8.805","0.004","10.497","0.004","23.205","0.01","90","","95.447","0.006","90","","2135.1","1.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 N12 O6 S2 Zn -","- C38 H54 N12 O6 S2 Zn -","- C76 H108 N24 O12 S4 Zn2 -","2","0.5","","Papish, Elizabeth T.; Taylor, Michael T.; Jernigan, Finith E.; Rodig, Michael J.; Shawhan, Robert R.; Yap, Glenn P. A.; Jové, Fernando A.","Synthesis of Zinc, Copper, Nickel, Cobalt, and Iron Complexes Using Tris(pyrazolyl)methane Sulfonate Ligands: A Structural Model for N,N,O Binding in Metalloenzymes","Inorganic Chemistry","2006","45","5","2242","2250","10.1021/ic051579a","","","0.71073","MoKα","","0.0651","0.0474","","","0.1082","0.1177","","","","","","1.027","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331810","10.407","0.003","21.698","0.007","11.368","0.004","90","","108.366","0.004","90","","2436.3","1.4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 Cl4 Co N12 O6 S2 -","- C40 H58 Cl4 Co N12 O6 S2 -","- C80 H116 Cl8 Co2 N24 O12 S4 -","2","0.5","","Papish, Elizabeth T.; Taylor, Michael T.; Jernigan, Finith E.; Rodig, Michael J.; Shawhan, Robert R.; Yap, Glenn P. A.; Jové, Fernando A.","Synthesis of Zinc, Copper, Nickel, Cobalt, and Iron Complexes Using Tris(pyrazolyl)methane Sulfonate Ligands: A Structural Model for N,N,O Binding in Metalloenzymes","Inorganic Chemistry","2006","45","5","2242","2250","10.1021/ic051579a","","","0.71073","MoKα","","0.0669","0.061","","","0.1553","0.1611","","","","","","1.014","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331813","10.388","0.002","21.628","0.005","11.372","0.002","90","","108.252","0.003","90","","2426.4","0.8","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 Cl4 N12 Ni O6 S2 -","- C40 H58 Cl4 N12 Ni O6 S2 -","- C80 H116 Cl8 N24 Ni2 O12 S4 -","2","0.5","","Papish, Elizabeth T.; Taylor, Michael T.; Jernigan, Finith E.; Rodig, Michael J.; Shawhan, Robert R.; Yap, Glenn P. A.; Jové, Fernando A.","Synthesis of Zinc, Copper, Nickel, Cobalt, and Iron Complexes Using Tris(pyrazolyl)methane Sulfonate Ligands: A Structural Model for N,N,O Binding in Metalloenzymes","Inorganic Chemistry","2006","45","5","2242","2250","10.1021/ic051579a","","","0.71073","MoKα","","0.0625","0.0425","","","0.1043","0.1135","","","","","","1.036","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331814","8.759","0.003","10.494","0.003","23.053","0.007","90","","94.147","0.004","90","","2113.4","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 Cu N12 O6 S2 -","- C38 H54 Cu N12 O6 S2 -","- C76 H108 Cu2 N24 O12 S4 -","2","0.5","","Papish, Elizabeth T.; Taylor, Michael T.; Jernigan, Finith E.; Rodig, Michael J.; Shawhan, Robert R.; Yap, Glenn P. A.; Jové, Fernando A.","Synthesis of Zinc, Copper, Nickel, Cobalt, and Iron Complexes Using Tris(pyrazolyl)methane Sulfonate Ligands: A Structural Model for N,N,O Binding in Metalloenzymes","Inorganic Chemistry","2006","45","5","2242","2250","10.1021/ic051579a","","","0.71073","MoKα","","0.0488","0.0428","","","0.1269","0.1336","","","","","","1.042","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331815","10.406","0.006","21.711","0.013","11.334","0.007","90","","108.273","0.006","90","","2432","3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 Cl4 Fe N12 O6 S2 -","- C40 H58 Cl4 Fe N12 O6 S2 -","- C80 H116 Cl8 Fe2 N24 O12 S4 -","2","0.5","","Papish, Elizabeth T.; Taylor, Michael T.; Jernigan, Finith E.; Rodig, Michael J.; Shawhan, Robert R.; Yap, Glenn P. A.; Jové, Fernando A.","Synthesis of Zinc, Copper, Nickel, Cobalt, and Iron Complexes Using Tris(pyrazolyl)methane Sulfonate Ligands: A Structural Model for N,N,O Binding in Metalloenzymes","Inorganic Chemistry","2006","45","5","2242","2250","10.1021/ic051579a","","","0.71073","MoKα","","0.1006","0.0791","","","0.1918","0.1971","","","","","","1.04","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331816","10.62","0.0005","20.27","0.001","35.53","0.002","90","","90","","90","","7648.5","0.7","193.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H35 K N2 O14 Ru2 -","- C36 H35 K N2 O14 Ru2 -","- C288 H280 K8 N16 O112 Ru16 -","8","1","","Nakai, Misaki; Funabiki, Takuzo; Ohtsuki, Chikara; Harada, Masafumi; Ichimura, Akio; Tanaka, Rika; Kinoshita, Isamu; Mikuriya, Masahiro; Benten, Hiroaki; Ohkita, Hideo; Ito, Shinzaburo; Obata, Makoto; Yano, Shigenobu","Structure and Photochemical Properties of (μ-Alkoxo)bis(μ-carboxylato)diruthenium Complexes with Naphthylacetate Ligands","Inorganic Chemistry","2006","45","7","3048","3056","10.1021/ic051582u","","","0.7107","MoKα","","","0.0519","","","","0.1218","","","","","","1.131","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331817","17.3456","0.0015","23.918","0.002","19.3417","0.0017","90","","100.419","0.002","90","","7892","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- H42 K Na3 Nd2 O82 P2 W17 -","- K Na3 Nd2 O82 P2 W17 -","- K4 Na12 Nd8 O328 P8 W68 -","4","1","","Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying","New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations","Inorganic Chemistry","2006","45","5","2055","2060","10.1021/ic0515857","","","0.71073","MoKα","","0.0916","0.0514","","","0.1466","0.1615","","","","","","1.043","","","","has coordinates,has disorder","201221","2020-10-21","18:00:00",""
"4331818","15.457","0.002","15.921","0.002","20.662","0.003","109.559","0.002","105.012","0.002","99.131","0.003","4456.4","1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H88 Cl Mn4 N O32 P6 -","- C86 H88 Cl Mn4 N O32 P6 -","- C172 H176 Cl2 Mn8 N2 O64 P12 -","2","1","","Wu, Jian-Zhong; De Angelis, Filippo; Carrell, Thomas G.; Yap, Glenn P. A.; Sheats, John; Car, Roberto; Dismukes, G. Charles","Tuning the Photoinduced O2-Evolving Reactivity of Mn4O47+, Mn4O46+, and Mn4O3(OH)6+Manganese−Oxo Cubane Complexes","Inorganic Chemistry","2006","45","1","189","195","10.1021/ic051587r","","","0.71073","MoKα","","0.0696","0.0606","","","0.1376","0.1417","","","","","","1.067","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331819","5.8598","0.0004","13.2926","0.0009","24.0817","0.0017","90","","91.763","0.001","90","","1874.9","0.2","86","2","86","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Ag2 F8 N10 O8 -","- C29 H26 Ag2 F8 N10 O8 -","- C58 H52 Ag4 F16 N20 O16 -","2","0.5","","Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.","Coordination Networks with Fluorinated Backbones","Inorganic Chemistry","2006","45","3","1150","1155","10.1021/ic051608h","","","0.71073","MoKα","","0.0505","0.0493","","","0.1125","0.1129","","","","","","1.07","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4331820","13.6994","0.001","23.8843","0.0017","15.1402","0.0011","90","","103.591","0.001","90","","4815.2","0.6","86","2","86","2","","","","","","","","7","C 1 c 1","C -2yc","9","C42 H30 Co F12 N12, 2(Cl O4)","","","- C42 H30 Cl2 Co F12 N12 O8 -","- C42 H30 Cl2 Co F12 N12 O8 -","- C168 H120 Cl8 Co4 F48 N48 O32 -","4","1","","Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.","Coordination Networks with Fluorinated Backbones","Inorganic Chemistry","2006","45","3","1150","1155","10.1021/ic051608h","","","0.71073","MoKα","","0.0622","0.0504","","","0.1065","0.1114","","","","","","1.031","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331821","10.225","0.0005","11.5836","0.0006","12.1961","0.0006","103.944","0.001","103.595","0.001","112.743","0.001","1202.9","0.11","87","2","87","2","","","","","","","","6","P -1","-P 1","2","Cd(NO3)2R2 polymer","","","- C42 H38 Cd F12 N14 O10 -","- C42 H38 Cd F12 N14 O10 -","- C42 H38 Cd F12 N14 O10 -","1","0.5","","Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.","Coordination Networks with Fluorinated Backbones","Inorganic Chemistry","2006","45","3","1150","1155","10.1021/ic051608h","","","0.71073","MoKα","","0.0351","0.0345","","","0.0988","0.0995","","","","","","1.014","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331822","17.5825","0.0008","10.6","0.0005","23.1545","0.0011","90","","105.41","0.001","90","","4160.3","0.3","87","2","87","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ag polymer","","","- C17.5 H20 Ag F4 N5 O4.5 -","- C17.5 H20 Ag F4 N5 O4.5 -","- C140 H160 Ag8 F32 N40 O36 -","8","1","","Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.","Coordination Networks with Fluorinated Backbones","Inorganic Chemistry","2006","45","3","1150","1155","10.1021/ic051608h","","","0.71073","MoKα","","0.038","0.0339","","","0.0744","0.0763","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331823","10.3467","0.0005","11.6311","0.0004","14.0747","0.0007","90","","105.931","0.002","90","","1628.74","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Fe2 Ga2 N2 -","- C38 H40 Fe2 Ga2 N2 -","- C76 H80 Fe4 Ga4 N4 -","2","0.5","","Schachner, Jörg A.; Orlowski, Grzegorz A.; Quail, J. Wilson; Kraatz, Heinz-Bernhard; Müller, Jens","Synthesis, Characterization, and Electrochemical Studies on [1.1]Ferrocenophanes Containing Aluminum, Gallium, and Indium","Inorganic Chemistry","2006","45","1","454","459","10.1021/ic051616y","","","0.7107","MoKα","","0.0818","0.0425","","","0.0732","0.0862","","","","","","1.023","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331824","10.5522","0.0007","11.8476","0.0008","13.9855","0.0009","90","","104.99","0.003","90","","1688.94","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Fe2 In2 N2 -","- C38 H40 Fe2 In2 N2 -","- C76 H80 Fe4 In4 N4 -","2","0.5","","Schachner, Jörg A.; Orlowski, Grzegorz A.; Quail, J. Wilson; Kraatz, Heinz-Bernhard; Müller, Jens","Synthesis, Characterization, and Electrochemical Studies on [1.1]Ferrocenophanes Containing Aluminum, Gallium, and Indium","Inorganic Chemistry","2006","45","1","454","459","10.1021/ic051616y","","","0.71073","MoKα","","0.056","0.0448","","","0.1019","0.1107","","","","","","1.086","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331825","9.6001","0.0009","9.3376","0.0008","19.8455","0.0017","90","","102.666","0.002","90","","1735.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2.31 H2.92 Ag0.15 N0.92 O0.46 -","- C2.30769 H2.92308 Ag0.153846 N0.923077 O0.461538 -","- C60 H76 Ag4 N24 O12 -","26","6.5","","del Carmen Fernández-Fernández, María; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Valencia, Laura","Different Nuclearity Silver(I) Complexes with Novel Tetracyano Pendant-Armed Hexaazamacrocyclic Ligands","Inorganic Chemistry","2006","45","5","2266","2275","10.1021/ic051627r","","","0.71073","MoKα","","0.1536","0.0469","","","0.0946","0.1179","","","","","","0.816","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331826","23.945","0.004","7.4886","0.0011","24.771","0.004","90","","111.612","0.003","90","","4129.5","1.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H44 Ag2 Cl2 N12 O8 -","- C34 H44 Ag2 Cl2 N12 O8 -","- C136 H176 Ag8 Cl8 N48 O32 -","4","1","","del Carmen Fernández-Fernández, María; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Valencia, Laura","Different Nuclearity Silver(I) Complexes with Novel Tetracyano Pendant-Armed Hexaazamacrocyclic Ligands","Inorganic Chemistry","2006","45","5","2266","2275","10.1021/ic051627r","","","0.71073","MoKα","","0.1422","0.0485","","","0.0796","0.098","","","","","","0.771","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331827","18.1456","0.0016","10.2963","0.0009","19.6626","0.0017","90","","111.432","0.002","90","","3419.6","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H37 Ag Cl N11 O4 -","- C30 H37 Ag Cl N11 O4 -","- C120 H148 Ag4 Cl4 N44 O16 -","4","1","","del Carmen Fernández-Fernández, María; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Valencia, Laura","Different Nuclearity Silver(I) Complexes with Novel Tetracyano Pendant-Armed Hexaazamacrocyclic Ligands","Inorganic Chemistry","2006","45","5","2266","2275","10.1021/ic051627r","","","0.71073","MoKα","","0.0519","0.0357","","","0.0638","0.0676","","","","","","0.857","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331828","12.8512","0.0015","26.383","0.003","13.1437","0.0016","90","","94.859","0.002","90","","4440.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Ag2 N14 O7 -","- C36 H48 Ag2 N14 O6.5 -","- C144 H192 Ag8 N56 O26 -","4","1","","del Carmen Fernández-Fernández, María; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Valencia, Laura","Different Nuclearity Silver(I) Complexes with Novel Tetracyano Pendant-Armed Hexaazamacrocyclic Ligands","Inorganic Chemistry","2006","45","5","2266","2275","10.1021/ic051627r","","","0.71073","MoKα","","0.1099","0.0504","","","0.1161","0.1314","","","","","","0.893","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331829","19.9674","0.0005","23.4892","0.0007","5.15189","0.00015","90","","102.757","0.0023","90","","2356.69","0.12","298","","","","","","","","","","","5","C 1 m 1","C -2y","8","rubidium triflate","rubidium trifluoromethyl sulfonate","","- C F3 O3 Rb S -","- C F3 O3 Rb S -","- C16 F48 O48 Rb16 S16 -","16","4","","Hildebrandt, Lars; Dinnebier, Robert; Jansen, Martin","Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO3CF3","Inorganic Chemistry","2006","45","8","3217","3223","10.1021/ic0516313","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331830","10.3434","0.0005","5.82833","0.00027","5.19818","0.00028","90","","104.278","0.006","90","","303.69","0.03","344","","","","","","","","","","","5","P 1 21 1","P 2yb","4","rubidium triflate","rubidium trifluoromethyl sulfonate","","- C F3 O3 Rb S -","- C F3 O3 Rb S -","- C2 F6 O6 Rb2 S2 -","2","1","","Hildebrandt, Lars; Dinnebier, Robert; Jansen, Martin","Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO3CF3","Inorganic Chemistry","2006","45","8","3217","3223","10.1021/ic0516313","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331831","5.30687","0.00023","20.2424","0.001","5.94791","0.00027","90","","90","","90","","638.95","0.05","510","","","","","","","","","","","5","C m c m","-C 2c 2","63","rubidium triflate","rubidium trifluoromethyl sulfonate","","- C F3 O3 Rb S -","- C F3 O3 Rb S -","- C4 F12 O12 Rb4 S4 -","4","0.25","","Hildebrandt, Lars; Dinnebier, Robert; Jansen, Martin","Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO3CF3","Inorganic Chemistry","2006","45","8","3217","3223","10.1021/ic0516313","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331832","6.9536","0.0002","8.1129","0.0003","9.6905","0.0003","105.394","0.002","108.615","0.002","99.232","0.001","481.17","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Compound JF268br","","","- C12 H28 Cl2 Cu N4 O10 -","- C12 H28 Cl2 Cu N4 O10 -","- C12 H28 Cl2 Cu N4 O10 -","1","0.5","","Fielden, John; Sprott, Joanna; Long, De-Liang; Kögerler, Paul; Cronin, Leroy","Controlling Aggregation of Copper(II)-Based Coordination Compounds: From Mononuclear to Dinuclear, Tetranuclear, and Polymeric Copper Complexes","Inorganic Chemistry","2006","45","7","2886","2895","10.1021/ic051647t","","","0.71073","MoKα","","0.0271","0.0245","","","0.0598","0.0611","","","","","","1.053","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331833","23.3788","0.0007","8.5014","0.0003","13.5422","0.0004","90","","105.303","0.002","90","","2596.11","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H38 Cl2 Cu2 N4 O13 -","- C15 H34 Cl2 Cu2 N4 O13 -","- C60 H136 Cl8 Cu8 N16 O52 -","4","0.5","","Fielden, John; Sprott, Joanna; Long, De-Liang; Kögerler, Paul; Cronin, Leroy","Controlling Aggregation of Copper(II)-Based Coordination Compounds: From Mononuclear to Dinuclear, Tetranuclear, and Polymeric Copper Complexes","Inorganic Chemistry","2006","45","7","2886","2895","10.1021/ic051647t","","","0.71073","MoKα","","0.0698","0.0563","","","0.1411","0.1474","","","","","","1.146","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331834","11.3227","0.0003","10.1481","0.0005","12.398","0.0006","90","","110.665","0.003","90","","1332.92","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C16 H38 Cl2 Cu2 N4 O12 -","- C16 H38 Cl2 Cu2 N4 O12 -","- C32 H76 Cl4 Cu4 N8 O24 -","2","0.5","","Fielden, John; Sprott, Joanna; Long, De-Liang; Kögerler, Paul; Cronin, Leroy","Controlling Aggregation of Copper(II)-Based Coordination Compounds: From Mononuclear to Dinuclear, Tetranuclear, and Polymeric Copper Complexes","Inorganic Chemistry","2006","45","7","2886","2895","10.1021/ic051647t","","","0.71073","MoKα","","0.055","0.0363","","","0.0728","0.0781","","","","","","1.029","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331835","10.631","0.0002","25.6433","0.0004","19.6386","0.0004","90","","102.003","0.001","90","","5236.71","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H70 Cl4 Cu4 N8 O26.5 -","- C26.5 H60 Cl4 Cu4 N8 O26.5 -","- C106 H240 Cl16 Cu16 N32 O106 -","4","1","","Fielden, John; Sprott, Joanna; Long, De-Liang; Kögerler, Paul; Cronin, Leroy","Controlling Aggregation of Copper(II)-Based Coordination Compounds: From Mononuclear to Dinuclear, Tetranuclear, and Polymeric Copper Complexes","Inorganic Chemistry","2006","45","7","2886","2895","10.1021/ic051647t","","","0.71073","MoKα","","0.1239","0.0621","","","0.1239","0.1417","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331836","24.169","0.0009","10.7545","0.0003","20.1015","0.0008","90","","111.001","0.002","90","","4877.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound JS125B","","","- C28 H70 Cl4 Cu4 N8 O25 -","- C28 H62 Cl4 Cu4 N8 O25 -","- C112 H248 Cl16 Cu16 N32 O100 -","4","0.5","","Fielden, John; Sprott, Joanna; Long, De-Liang; Kögerler, Paul; Cronin, Leroy","Controlling Aggregation of Copper(II)-Based Coordination Compounds: From Mononuclear to Dinuclear, Tetranuclear, and Polymeric Copper Complexes","Inorganic Chemistry","2006","45","7","2886","2895","10.1021/ic051647t","","","0.71073","MoKα","","0.0891","0.0833","","","0.1917","0.1942","","","","","","1.152","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331837","24.1409","0.0011","15.4935","0.0008","15.5757","0.0005","90","","105.515","0.003","90","","5613.4","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound X","","","- C36 H88 Cl4 Cu4 N8 O20 -","- C36 H76 Cl4 Cu4 N8 O20 -","- C144 H304 Cl16 Cu16 N32 O80 -","4","0.5","","Fielden, John; Sprott, Joanna; Long, De-Liang; Kögerler, Paul; Cronin, Leroy","Controlling Aggregation of Copper(II)-Based Coordination Compounds: From Mononuclear to Dinuclear, Tetranuclear, and Polymeric Copper Complexes","Inorganic Chemistry","2006","45","7","2886","2895","10.1021/ic051647t","","","0.71073","MoKα","","0.046","0.034","","","0.081","0.085","","","","","","1.052","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331838","10.104","0.0005","6.8627","0.0003","13.8514","0.0008","90","","94.673","0.002","90","","957.27","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound JF410","","","- C7 H14 Cu N2 O4 -","- C7 H14 Cu N2 O4 -","- C28 H56 Cu4 N8 O16 -","4","1","","Fielden, John; Sprott, Joanna; Long, De-Liang; Kögerler, Paul; Cronin, Leroy","Controlling Aggregation of Copper(II)-Based Coordination Compounds: From Mononuclear to Dinuclear, Tetranuclear, and Polymeric Copper Complexes","Inorganic Chemistry","2006","45","7","2886","2895","10.1021/ic051647t","","","0.71073","MoKα","","0.0431","0.0347","","","0.0913","0.0952","","","","","","1.043","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331839","11.024","0.002","18.905","0.004","12.107","0.002","90","","105.42","0.03","90","","2432.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Mn2 N4 O12 -","- C48 H58 Mn2 N4 O12 -","- C96 H116 Mn4 N8 O24 -","2","0.5","","Lü, Zhengliang; Yuan, Mei; Pan, Feng; Gao, Song; Zhang, Deqing; Zhu, Daoben","Syntheses, Crystal Structures, and Magnetic Characterization of Five New Dimeric Manganese(III) Tetradentate Schiff Base Complexes Exhibiting Single-Molecule-Magnet Behavior","Inorganic Chemistry","2006","45","9","3538","3548","10.1021/ic051648l","","","0.71073","MoKα","","0.0792","0.0604","","","0.1425","0.1537","","","","","","1.08","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331840","8.0512","0.0016","16.874","0.003","14.346","0.003","90","","103.84","0.03","90","","1892.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Mn2 N10 O4 -","- C40 H44 Mn2 N10 O4 -","- C80 H88 Mn4 N20 O8 -","2","0.5","","Lü, Zhengliang; Yuan, Mei; Pan, Feng; Gao, Song; Zhang, Deqing; Zhu, Daoben","Syntheses, Crystal Structures, and Magnetic Characterization of Five New Dimeric Manganese(III) Tetradentate Schiff Base Complexes Exhibiting Single-Molecule-Magnet Behavior","Inorganic Chemistry","2006","45","9","3538","3548","10.1021/ic051648l","","","0.71073","MoKα","","0.1923","0.0812","","","0.1488","0.1867","","","","","","0.87","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331841","13.131","0.003","14.177","0.003","16.71","0.003","90","","90","","90","","3110.7","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Mn2 N6 O6 -","- C34 H28 Mn2 N6 O6 -","- C136 H112 Mn8 N24 O24 -","4","0.5","","Lü, Zhengliang; Yuan, Mei; Pan, Feng; Gao, Song; Zhang, Deqing; Zhu, Daoben","Syntheses, Crystal Structures, and Magnetic Characterization of Five New Dimeric Manganese(III) Tetradentate Schiff Base Complexes Exhibiting Single-Molecule-Magnet Behavior","Inorganic Chemistry","2006","45","9","3538","3548","10.1021/ic051648l","","","0.71073","MoKα","","0.111","0.0346","","","0.0603","0.0696","","","","","","0.951","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331842","12.606","0.003","15.713","0.003","14.343","0.003","90","","115.67","0.03","90","","2560.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H26 Br12 Mn2 N4 O8 -","- C46 H26 Br12 Mn2 N4 O8 -","- C92 H52 Br24 Mn4 N8 O16 -","2","0.5","","Lü, Zhengliang; Yuan, Mei; Pan, Feng; Gao, Song; Zhang, Deqing; Zhu, Daoben","Syntheses, Crystal Structures, and Magnetic Characterization of Five New Dimeric Manganese(III) Tetradentate Schiff Base Complexes Exhibiting Single-Molecule-Magnet Behavior","Inorganic Chemistry","2006","45","9","3538","3548","10.1021/ic051648l","","","0.71073","MoKα","","0.1178","0.0703","","","0.2118","0.2315","","","","","","1.073","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331843","11.019","0.002","13.047","0.003","14.914","0.003","90","","102.78","0.03","90","","2091","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Br4 Cl2 Mn2 N4 O14 -","- C34 H30 Br4 Cl2 Mn2 N4 O14 -","- C68 H60 Br8 Cl4 Mn4 N8 O28 -","2","0.5","","Lü, Zhengliang; Yuan, Mei; Pan, Feng; Gao, Song; Zhang, Deqing; Zhu, Daoben","Syntheses, Crystal Structures, and Magnetic Characterization of Five New Dimeric Manganese(III) Tetradentate Schiff Base Complexes Exhibiting Single-Molecule-Magnet Behavior","Inorganic Chemistry","2006","45","9","3538","3548","10.1021/ic051648l","","","0.71073","MoKα","","0.0909","0.0495","","","0.1195","0.1333","","","","","","0.995","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331844","11.4457","0.0011","14.7935","0.0014","18.0086","0.0016","88.843","0.013","75.571","0.011","87.569","0.013","2950.3","0.5","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H106 Cl2 Fe6 N4 Na2 O36 -","- C106 H106 Cl2 Fe6 N4 Na2 O46 -","- C106 H106 Cl2 Fe6 N4 Na2 O46 -","1","0.5","","Boudalis, Athanassios K.; Sanakis, Yiannis; Dahan, Françoise; Hendrich, Michael; Tuchagues, Jean-Pierre","An Octanuclear Complex Containing the {Fe3O}7+Metal Core: Structural, Magnetic, Mössbauer, and Electron Paramagnetic Resonance Studies#","Inorganic Chemistry","2006","45","1","443","453","10.1021/ic051652x","","","0.71073","MoKα","","0.0502","0.0368","","","0.0623","0.0642","","","","","","0.918","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331845","25.541","0.003","10.3936","0.0014","10.9012","0.0012","90","","92.261","0.009","90","","2891.6","0.6","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Mo N2 O4 S2 -","- C10 H10 Mo N2 O4 S2 -","- C80 H80 Mo8 N16 O32 S16 -","8","2","","Nemykin, Victor N.; Olsen, Joseph G.; Perera, Eranda; Basu, Partha","Synthesis, Molecular and Electronic Structure, and TDDFT and TDDFT-PCM Study of the Solvatochromic Properties of (Me2Pipdt)Mo(CO)4Complex (Me2Pipdt =N,N‘-Dimethylpiperazine-2,3-dithione)","Inorganic Chemistry","2006","45","9","3557","3568","10.1021/ic051653p","","","0.71073","MoKα","","0.08","0.0332","","0.0726","0.0565","0.0565","","","","","","0.9055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331846","12.922","0.004","23.713","0.007","21.776","0.006","90","","90.705","0.005","90","","6672","3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C66 H62 Fe I N18 O7 Ru2 -","- C66 H62 Fe I N18 O7 Ru2 -","- C264 H248 Fe4 I4 N72 O28 Ru8 -","4","1","","Dong, Wen; Ou-Yang, Yan; Song, Hai-Bin; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping; Cheng, Peng","Structure of an I-·(H2O)6Anion Cluster in a 3D Anion Crystal Host [I·(H2O)6Fe(CN)6·H2O]4-","Inorganic Chemistry","2006","45","3","1168","1172","10.1021/ic051657u","","","0.71073","MoKα","","0.0686","0.0411","","","0.0686","0.0768","","","","","","1.015","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331847","20.191","0.016","9.753","0.008","26.796","0.019","90","","110.21","0.04","90","","4952","7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H80 O10 Zr2 -","- C40 H78 O10 Zr2 -","- C160 H312 O40 Zr8 -","4","1","","Spijksma, Gerald I.; Bouwmeester, Henny J. M.; Blank, Dave H. A.; Fischer, Andreas; Henry, Marc; Kessler, Vadim G.","Chemistry of 2,2,6,6,-Tetramethyl-3,5-heptanedione (Hthd) Modification of Zirconium and Hafnium Propoxide Precursors","Inorganic Chemistry","2006","45","13","4938","4950","10.1021/ic051674j","","","0.71073","MoKα","","0.1462","0.0842","","","0.2316","0.2605","","","","","","1.046","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331848","10.153","0.003","20.995","0.005","18.928","0.005","90","","99.878","0.005","90","","3974.9","1.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 O7 Zr -","- C36 H55 O7 Zr -","- C144 H220 O28 Zr4 -","4","1","","Spijksma, Gerald I.; Bouwmeester, Henny J. M.; Blank, Dave H. A.; Fischer, Andreas; Henry, Marc; Kessler, Vadim G.","Chemistry of 2,2,6,6,-Tetramethyl-3,5-heptanedione (Hthd) Modification of Zirconium and Hafnium Propoxide Precursors","Inorganic Chemistry","2006","45","13","4938","4950","10.1021/ic051674j","","","0.71073","MoKα","","0.1423","0.0844","","","0.2166","0.2466","","","","","","1.05","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331849","10.27","0.03","20.85","0.06","18.94","0.05","90","","99.19","0.09","90","","4004","2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Hf O7 -","- C36 H55 Hf O7 -","- C144 H220 Hf4 O28 -","4","1","","Spijksma, Gerald I.; Bouwmeester, Henny J. M.; Blank, Dave H. A.; Fischer, Andreas; Henry, Marc; Kessler, Vadim G.","Chemistry of 2,2,6,6,-Tetramethyl-3,5-heptanedione (Hthd) Modification of Zirconium and Hafnium Propoxide Precursors","Inorganic Chemistry","2006","45","13","4938","4950","10.1021/ic051674j","","","0.71073","MoKα","","0.1352","0.079","","","0.1928","0.213","","","","","","1.025","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331850","10.714","0.004","20.285","0.008","14.321","0.006","90","","102.553","0.009","90","","3038","2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H92 Hf2 O12 -","- C54 H14 Hf2 O12 -","- C108 H28 Hf4 O24 -","2","0.5","","Spijksma, Gerald I.; Bouwmeester, Henny J. M.; Blank, Dave H. A.; Fischer, Andreas; Henry, Marc; Kessler, Vadim G.","Chemistry of 2,2,6,6,-Tetramethyl-3,5-heptanedione (Hthd) Modification of Zirconium and Hafnium Propoxide Precursors","Inorganic Chemistry","2006","45","13","4938","4950","10.1021/ic051674j","","","0.71073","MoKα","","0.0954","0.059","","","0.13","0.1416","","","","","","1.083","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331851","22.545","0.006","11.275","0.003","19.763","0.005","90","","106.55","0.007","90","","4816","2","295","2","295","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C44 H76 O8 Zr -","- C44.5 O8 Zr -","- C178 O32 Zr4 -","4","1","","Spijksma, Gerald I.; Bouwmeester, Henny J. M.; Blank, Dave H. A.; Fischer, Andreas; Henry, Marc; Kessler, Vadim G.","Chemistry of 2,2,6,6,-Tetramethyl-3,5-heptanedione (Hthd) Modification of Zirconium and Hafnium Propoxide Precursors","Inorganic Chemistry","2006","45","13","4938","4950","10.1021/ic051674j","","","0.71073","MoKα","","0.1177","0.0826","","","0.2063","0.2261","","","","","","1.03","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331852","22.545","0.006","11.275","0.003","19.763","0.005","90","","106.55","0.007","90","","4816","2","295","2","295","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C44 H76 Hf O8 -","- C44.5 Hf O8 -","- C178 Hf4 O32 -","4","1","","Spijksma, Gerald I.; Bouwmeester, Henny J. M.; Blank, Dave H. A.; Fischer, Andreas; Henry, Marc; Kessler, Vadim G.","Chemistry of 2,2,6,6,-Tetramethyl-3,5-heptanedione (Hthd) Modification of Zirconium and Hafnium Propoxide Precursors","Inorganic Chemistry","2006","45","13","4938","4950","10.1021/ic051674j","","","0.71073","MoKα","","0.1254","0.0763","","","0.183","0.2037","","","","","","1.097","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331853","11.593","0.002","20.647","0.003","11.4166","0.0019","90","","100.012","0.003","90","","2691.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 N7 O13 Pt Tl -","- C12 H34 N7 O13 Pt Tl -","- C48 H136 N28 O52 Pt4 Tl4 -","4","1","","Chen, Wanzhi; Liu, Fenghui; Matsumoto, Kazuko; Autschbach, Jochen; Le Guennic, Boris; Ziegler, Tom; Maliarik, Mikhail; Glaser, Julius","Spectral and Structural Characterization of Amidate-Bridged Platinum−Thallium Complexes with Strong Metal−Metal Bonds","Inorganic Chemistry","2006","45","11","4526","4536","10.1021/ic051678o","","","0.71073","MoKα","","0.0657","0.0396","","","0.0788","0.0867","","","","","","1.007","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331854","15.298","0.012","12.938","0.01","23.433","0.017","90","","105.299","0.012","90","","4474","6","153","2","153","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C22 H60 F6 N10 O12 P Pt2 Tl -","- C22 H60 F6 N10 O12 P Pt2 Tl -","- C88 H240 F24 N40 O48 P4 Pt8 Tl4 -","4","0.5","","Chen, Wanzhi; Liu, Fenghui; Matsumoto, Kazuko; Autschbach, Jochen; Le Guennic, Boris; Ziegler, Tom; Maliarik, Mikhail; Glaser, Julius","Spectral and Structural Characterization of Amidate-Bridged Platinum−Thallium Complexes with Strong Metal−Metal Bonds","Inorganic Chemistry","2006","45","11","4526","4536","10.1021/ic051678o","","","0.71073","MoKα","","0.0852","0.0734","","","0.1994","0.2209","","","","","","1.057","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331855","11.546","0.004","16.706","0.006","17.045","0.006","62.989","0.006","75.275","0.006","72.367","0.006","2765.1","1.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H124 N24 O36 Pt4 Tl3 -","- C48 H124 N24 O36 Pt4 Tl3 -","- C48 H124 N24 O36 Pt4 Tl3 -","1","0.5","","Chen, Wanzhi; Liu, Fenghui; Matsumoto, Kazuko; Autschbach, Jochen; Le Guennic, Boris; Ziegler, Tom; Maliarik, Mikhail; Glaser, Julius","Spectral and Structural Characterization of Amidate-Bridged Platinum−Thallium Complexes with Strong Metal−Metal Bonds","Inorganic Chemistry","2006","45","11","4526","4536","10.1021/ic051678o","","","0.71073","MoKα","","0.1209","0.0729","","","0.1965","0.2334","","","","","","1.024","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331856","9.734","0.003","11.637","0.003","11.75","0.003","74.267","0.006","67.206","0.005","78.688","0.005","1174.8","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H68 Cl3 N8 O8 Pt2 Tl -","- C24 H68 Cl3 N8 O8 Pt2 Tl -","- C24 H68 Cl3 N8 O8 Pt2 Tl -","1","0.5","","Chen, Wanzhi; Liu, Fenghui; Matsumoto, Kazuko; Autschbach, Jochen; Le Guennic, Boris; Ziegler, Tom; Maliarik, Mikhail; Glaser, Julius","Spectral and Structural Characterization of Amidate-Bridged Platinum−Thallium Complexes with Strong Metal−Metal Bonds","Inorganic Chemistry","2006","45","11","4526","4536","10.1021/ic051678o","","","0.71073","MoKα","","0.0881","0.0704","","","0.1701","0.1821","","","","","","1.047","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331857","10.973","0.002","18.383","0.003","24.036","0.003","90","","112.151","0.003","90","","4490.6","1.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H57 F9 N8 O11.5 Pt2 Tl -","- C27 H57 F9 N8 O11.5 Pt2 Tl -","- C108 H228 F36 N32 O46 Pt8 Tl4 -","4","1","","Chen, Wanzhi; Liu, Fenghui; Matsumoto, Kazuko; Autschbach, Jochen; Le Guennic, Boris; Ziegler, Tom; Maliarik, Mikhail; Glaser, Julius","Spectral and Structural Characterization of Amidate-Bridged Platinum−Thallium Complexes with Strong Metal−Metal Bonds","Inorganic Chemistry","2006","45","11","4526","4536","10.1021/ic051678o","","","0.71073","MoKα","","0.0699","0.0648","","","0.1828","0.1873","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331858","6.845","0.003","28.021","0.012","12.533","0.005","90","","105.509","0.007","90","","2316.3","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H37 N5 O6 Pt -","- C14 H37 N5 O6 Pt -","- C56 H148 N20 O24 Pt4 -","4","1","","Chen, Wanzhi; Liu, Fenghui; Matsumoto, Kazuko; Autschbach, Jochen; Le Guennic, Boris; Ziegler, Tom; Maliarik, Mikhail; Glaser, Julius","Spectral and Structural Characterization of Amidate-Bridged Platinum−Thallium Complexes with Strong Metal−Metal Bonds","Inorganic Chemistry","2006","45","11","4526","4536","10.1021/ic051678o","","","0.71073","MoKα","","0.0533","0.0318","","","0.0608","0.0643","","","","","","1.01","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331859","17.4229","0.0005","15.591","0.0003","20.5218","0.0008","90","","93.494","0.0008","90","","5564.2","0.3","293","1","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H30 Er F18 O8 P2 -","- C51 H30 Er F18 O8 P2 -","- C204 H120 Er4 F72 O32 P8 -","4","1","","Zhong, Qi; Wang, Huaishan; Qian, Guodong; Wang, Zhiyu; Zhang, Jiahua; Qiu, Jianrong; Wang, Minquan","Novel Stoichiometrically Erbium−Ytterbium Cocrystalline Complex Exhibiting Enhanced Near-Infrared Luminescence","Inorganic Chemistry","2006","45","11","4537","4543","10.1021/ic051697y","","","0.7107","MoKα","","","0.04","","","","0.094","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331860","14.9668","0.0017","17.3572","0.0019","31.227","0.004","90","","102.65","0.002","90","","7915.3","1.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H47 Cl4 Co4 N4 O9.5 -","- C30 H38 Cl4 Co4 N4 O9.5 -","- C240 H304 Cl32 Co32 N32 O76 -","8","1","","Telfer, Shane G.; Kuroda, Reiko; Lefebvre, Julie; Leznoff, Daniel B.","Boxes, Helicates, and Coordination Polymers: A Structural and Magnetochemical Investigation of the Diverse Coordination Chemistry of Simple Pyridine-Alcohol Ligands","Inorganic Chemistry","2006","45","12","4592","4601","10.1021/ic0517218","","","0.71073","MoKα","","0.1332","0.0711","","","0.1729","0.2006","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331861","9.3991","0.0015","11.475","0.0018","11.9191","0.0019","110.938","0.002","91.528","0.003","107.942","0.003","1128.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Co2 N4 O6 -","- C21 H24 Co2 N4 O6 -","- C42 H48 Co4 N8 O12 -","2","1","","Telfer, Shane G.; Kuroda, Reiko; Lefebvre, Julie; Leznoff, Daniel B.","Boxes, Helicates, and Coordination Polymers: A Structural and Magnetochemical Investigation of the Diverse Coordination Chemistry of Simple Pyridine-Alcohol Ligands","Inorganic Chemistry","2006","45","12","4592","4601","10.1021/ic0517218","","","0.71073","MoKα","","0.0724","0.0665","","","0.2101","0.2116","","","","","","1.229","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331862","11.462","0.0011","11.7945","0.0011","11.9265","0.0012","80.805","0.002","67.301","0.002","86.474","0.002","1468.3","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H32 Cl3 Co3 N3 O5 S -","- C23 H30 Cl3 Co3 N3 O5 S -","- C46 H60 Cl6 Co6 N6 O10 S2 -","2","1","","Telfer, Shane G.; Kuroda, Reiko; Lefebvre, Julie; Leznoff, Daniel B.","Boxes, Helicates, and Coordination Polymers: A Structural and Magnetochemical Investigation of the Diverse Coordination Chemistry of Simple Pyridine-Alcohol Ligands","Inorganic Chemistry","2006","45","12","4592","4601","10.1021/ic0517218","","","0.71073","MoKα","","0.0928","0.0528","","","0.1001","0.1133","","","","","","0.958","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331863","8.4393","0.0006","8.5797","0.0006","12.0728","0.0009","81.842","0.001","84.06","0.001","64.008","0.001","776.95","0.1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Co N2 O6 S -","- C14 H18 Co N2 O6 S -","- C28 H36 Co2 N4 O12 S2 -","2","1","","Telfer, Shane G.; Kuroda, Reiko; Lefebvre, Julie; Leznoff, Daniel B.","Boxes, Helicates, and Coordination Polymers: A Structural and Magnetochemical Investigation of the Diverse Coordination Chemistry of Simple Pyridine-Alcohol Ligands","Inorganic Chemistry","2006","45","12","4592","4601","10.1021/ic0517218","","","0.71073","MoKα","","0.0312","0.0301","","","0.079","0.0797","","","","","","1.042","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331864","10.927","0.003","11.867","0.003","13.562","0.003","102.892","0.004","110.558","0.004","108.818","0.004","1442","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H26 Cl3 Co2 N3 O3 -","- C31 H26 Cl3 Co2 N3 O3 -","- C62 H52 Cl6 Co4 N6 O6 -","2","1","","Telfer, Shane G.; Kuroda, Reiko; Lefebvre, Julie; Leznoff, Daniel B.","Boxes, Helicates, and Coordination Polymers: A Structural and Magnetochemical Investigation of the Diverse Coordination Chemistry of Simple Pyridine-Alcohol Ligands","Inorganic Chemistry","2006","45","12","4592","4601","10.1021/ic0517218","","","0.71073","MoKα","","0.1595","0.0538","","","0.0795","0.0933","","","","","","0.643","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331865","26.776","0.0006","20.049","0.0005","18.19","0.0005","90","","115.932","0.0009","90","","8781.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 Cr3 K3 Mn3 O58 -","- C54 H80 Cr3 K3 Mn3 O58 -","- C216 H320 Cr12 K12 Mn12 O232 -","4","0.5","","Coronado, Eugenio; Galán-Mascarós, José Ramón; Martí-Gastaldo, Carlos","Synthesis and Characterization of a Soluble Bimetallic Oxalate-Based Bidimensional Magnet: [K(18-crown-6)]3[Mn3(H2O)4{Cr(ox)3}3]","Inorganic Chemistry","2006","45","5","1882","1884","10.1021/ic0517570","","","0.71073","MoKα","","0.1513","0.0538","","","0.1233","0.1504","","","","","","0.895","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331866","16.3495","0.0014","13.172","0.0012","13.8811","0.0012","90","","102.66","0.002","90","","2916.7","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Ag F6 O2 P S4 -","- C24 H32 Ag F6 O2 P S4 -","- C96 H128 Ag4 F24 O8 P4 S16 -","4","0.5","","Seo, Joobeom; Song, Mi Ryoung; Lee, Ji-Eun; Lee, So Young; Yoon, Il; Park, Ki-Min; Kim, Jineun; Jung, Jong Hwa; Park, Sung Bae; Lee, Shim Sung","Exo-Coordination-Based Supramolecular Silver(I) Complexes of S2O Macrocycles: Effect of Ligand Isomerism on the Structural Diversity","Inorganic Chemistry","2006","45","3","952","954","10.1021/ic051764o","","","0.71073","MoKα","","0.0514","0.04","","","0.1086","0.1178","","","","","","1.054","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331867","7.4918","0.0003","23.7428","0.0011","9.1379","0.0004","90","","98.678","0.001","90","","1606.81","0.12","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Ag F6 O P S2 -","- C12 H16 Ag F6 O P S2 -","- C48 H64 Ag4 F24 O4 P4 S8 -","4","1","","Seo, Joobeom; Song, Mi Ryoung; Lee, Ji-Eun; Lee, So Young; Yoon, Il; Park, Ki-Min; Kim, Jineun; Jung, Jong Hwa; Park, Sung Bae; Lee, Shim Sung","Exo-Coordination-Based Supramolecular Silver(I) Complexes of S2O Macrocycles: Effect of Ligand Isomerism on the Structural Diversity","Inorganic Chemistry","2006","45","3","952","954","10.1021/ic051764o","","","0.71073","MoKα","","0.0475","0.037","","","0.0743","0.0786","","","","","","1.109","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331868","36.642","0.003","8.4389","0.0007","15.0328","0.0013","90","","90","","90","","4648.4","0.7","298","2","298","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36 H48 Ag2 F12 O3 P2 S6 -","- C36 H48 Ag2 F12 O3 P2 S6 -","- C144 H192 Ag8 F48 O12 P8 S24 -","4","1","","Seo, Joobeom; Song, Mi Ryoung; Lee, Ji-Eun; Lee, So Young; Yoon, Il; Park, Ki-Min; Kim, Jineun; Jung, Jong Hwa; Park, Sung Bae; Lee, Shim Sung","Exo-Coordination-Based Supramolecular Silver(I) Complexes of S2O Macrocycles: Effect of Ligand Isomerism on the Structural Diversity","Inorganic Chemistry","2006","45","3","952","954","10.1021/ic051764o","","","0.71073","MoKα","","0.1888","0.0527","","","0.1047","0.1456","","","","","","1.002","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331869","17.2521","0.0007","16.6342","0.0007","21.0769","0.0009","90","","108.639","0.001","90","","5731.3","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 Ag2 F12 O4 P2 S8 -","- C48 H64 Ag2 F12 O4 P2 S8 -","- C192 H256 Ag8 F48 O16 P8 S32 -","4","1","","Seo, Joobeom; Song, Mi Ryoung; Lee, Ji-Eun; Lee, So Young; Yoon, Il; Park, Ki-Min; Kim, Jineun; Jung, Jong Hwa; Park, Sung Bae; Lee, Shim Sung","Exo-Coordination-Based Supramolecular Silver(I) Complexes of S2O Macrocycles: Effect of Ligand Isomerism on the Structural Diversity","Inorganic Chemistry","2006","45","3","952","954","10.1021/ic051764o","","","0.71073","MoKα","","0.0695","0.0557","","","0.1523","0.1718","","","","","","1.028","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331870","10.7753","0.0006","11.9414","0.0006","12.6635","0.0007","90","","90","","90","","1629.44","0.15","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Ag F6 O P S2 -","- C12 H16 Ag F6 O P S2 -","- C48 H64 Ag4 F24 O4 P4 S8 -","4","1","","Seo, Joobeom; Song, Mi Ryoung; Lee, Ji-Eun; Lee, So Young; Yoon, Il; Park, Ki-Min; Kim, Jineun; Jung, Jong Hwa; Park, Sung Bae; Lee, Shim Sung","Exo-Coordination-Based Supramolecular Silver(I) Complexes of S2O Macrocycles: Effect of Ligand Isomerism on the Structural Diversity","Inorganic Chemistry","2006","45","3","952","954","10.1021/ic051764o","","","0.71073","MoKα","","0.0437","0.0338","","","0.076","0.0809","","","","","","1.032","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331871","9.5056","0.0001","19.4011","0.0002","14.8581","0.0002","90","","98.262","0.006","90","","2711.68","0.07","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl2.5 N2.5 O0.5 Os0.5 P -","- C28 H26 Cl2.5 N2.5 O0.5 Os0.5 P -","- C112 H104 Cl10 N10 O2 Os2 P4 -","4","1","","Singh, Priti; Sarkar, Biprajit; Sieger, Monika; Niemeyer, Mark; Fiedler, Jan; Záliš, Stanislav; Kaim, Wolfgang","The Metal−NO Interaction in the Redox Systems [Cl5Os(NO)]n-,n= 1−3, andcis-[(bpy)2ClOs(NO)]2+/+: Calculations, Structural, Electrochemical, and Spectroscopic Results","Inorganic Chemistry","2006","45","12","4602","4609","10.1021/ic0517669","","","0.71073","MoKα","","0.0211","0.0183","","","0.0536","0.0548","","","","","","1.581","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331872","8.943","0.002","9.752","0.002","33.182","0.004","90","","92.09","0.02","90","","2891.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Ga N2 O -","- C30 H45 Ga N2 O -","- C120 H180 Ga4 N8 O4 -","4","1","","Singh, Sanjay; Jancik, Vojtech; Roesky, Herbert W.; Herbst-Irmer, Regine","Synthesis, Characterization, and X-ray Crystal Structure of a Gallium Monohydroxide and a Hetero-bimetallic Gallium Zirconium Oxide","Inorganic Chemistry","2006","45","3","949","951","10.1021/ic051769l","","","1.54178","CuKα","","0.0274","0.0268","","","0.0666","0.0671","","","","","","1.064","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331873","10.056","0.002","18.586","0.003","20.013","0.003","90","","90.2","0.02","90","","3740.4","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H57 Ga N2 O Zr -","- C41 H57 Ga N2 O Zr -","- C164 H228 Ga4 N8 O4 Zr4 -","4","1","","Singh, Sanjay; Jancik, Vojtech; Roesky, Herbert W.; Herbst-Irmer, Regine","Synthesis, Characterization, and X-ray Crystal Structure of a Gallium Monohydroxide and a Hetero-bimetallic Gallium Zirconium Oxide","Inorganic Chemistry","2006","45","3","949","951","10.1021/ic051769l","","","1.54178","CuKα","","0.0222","0.0199","","","0.0464","0.0477","","","","","","1.06","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331874","11.69","0.004","12.858","0.004","14.298","0.005","72.162","0.017","79.29","0.02","65.66","0.02","1859.6","1.1","273","2","193","2","","","","","","","","10","P -1","-P 1","2","EBDC-PEt3+","","","- C43 H80 B2 F3 Fe6 Mo2 N12 O3 P4 S9 -","- C43 H60 B2 F3 Fe6 Mo2 N12 O3 P4 S9 -","- C43 H60 B2 F3 Fe6 Mo2 N12 O3 P4 S9 -","1","0.5","","Berlinguette, Curtis P.; Miyaji, Taichi; Zhang, Yugen; Holm, R. H.","Precursors to Clusters with the Topology of the PNCluster of Nitrogenase: Edge-Bridged Double Cubane Clusters [(Tp)2Mo2Fe6S8L4]z: Synthesis, Structures, and Electron Transfer Series","Inorganic Chemistry","2006","45","5","1997","2007","10.1021/ic051770k","","","0.71073","MoKα","","0.0506","0.0423","","","0.129","0.1351","","","","","","1.06","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331875","16.081","0.013","15.937","0.013","25.45","0.02","90","","95.526","0.011","90","","6492","9","273","2","273","2","","","","","","","","9","P 1 21 1","P 2yb","4","EBDC-F4-","","","- C96 H189 B2 F4 Fe6 Mo2 N23 O2 S8 -","- C96 H182 B2 F4 Fe6 Mo2 N23 O2 S8 -","- C192 H364 B4 F8 Fe12 Mo4 N46 O4 S16 -","2","1","","Berlinguette, Curtis P.; Miyaji, Taichi; Zhang, Yugen; Holm, R. H.","Precursors to Clusters with the Topology of the PNCluster of Nitrogenase: Edge-Bridged Double Cubane Clusters [(Tp)2Mo2Fe6S8L4]z: Synthesis, Structures, and Electron Transfer Series","Inorganic Chemistry","2006","45","5","1997","2007","10.1021/ic051770k","","","0.71073","MoKα","","0.1582","0.0697","","","0.1141","0.1482","","","","","","1.008","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331876","14.678","0.009","29.261","0.019","11.092","0.007","90","","90","","90","","4764","5","173","2","173","2","","","","","","","","9","P n n m","-P 2 2n","58","EBDC-F4- TEA","","","- C64 H127 B2 F4 Fe6 Mo2 N23 O3 S8 -","- C64 H38 B2 F4 Fe6 Mo2 N23 O3 S8 -","- C128 H76 B4 F8 Fe12 Mo4 N46 O6 S16 -","2","0.25","","Berlinguette, Curtis P.; Miyaji, Taichi; Zhang, Yugen; Holm, R. H.","Precursors to Clusters with the Topology of the PNCluster of Nitrogenase: Edge-Bridged Double Cubane Clusters [(Tp)2Mo2Fe6S8L4]z: Synthesis, Structures, and Electron Transfer Series","Inorganic Chemistry","2006","45","5","1997","2007","10.1021/ic051770k","","","0.71073","MoKα","","0.1494","0.082","","","0.1729","0.2083","","","","","","1.036","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331877","17.38","0.04","19.1","0.06","33.68","0.08","90","","101.7","0.2","90","","10948","5","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","EBDC-Cl 3-","","","- C82 H148 B2 Fe6 Mo2 N28 S8 -","- C82 H150 B2 Fe6 Mo2 N28 S8 -","- C328 H600 B8 Fe24 Mo8 N112 S32 -","4","0.5","","Berlinguette, Curtis P.; Miyaji, Taichi; Zhang, Yugen; Holm, R. H.","Precursors to Clusters with the Topology of the PNCluster of Nitrogenase: Edge-Bridged Double Cubane Clusters [(Tp)2Mo2Fe6S8L4]z: Synthesis, Structures, and Electron Transfer Series","Inorganic Chemistry","2006","45","5","1997","2007","10.1021/ic051770k","","","0.71073","MoKα","","0.1336","0.0771","","","0.1678","0.1967","","","","","","1.075","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331878","13.305","0.003","13.884","0.003","15.835","0.003","65.041","0.003","67.339","0.004","81.031","0.004","2447.2","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","EBDC-F3-","","","- C70 H134 B2 F4 Fe6 Mo2 N17 S8 -","- C70 H88 B2 F4 Fe6 Mo2 N17 S8 -","- C70 H88 B2 F4 Fe6 Mo2 N17 S8 -","1","0.5","","Berlinguette, Curtis P.; Miyaji, Taichi; Zhang, Yugen; Holm, R. H.","Precursors to Clusters with the Topology of the PNCluster of Nitrogenase: Edge-Bridged Double Cubane Clusters [(Tp)2Mo2Fe6S8L4]z: Synthesis, Structures, and Electron Transfer Series","Inorganic Chemistry","2006","45","5","1997","2007","10.1021/ic051770k","","","0.71073","MoKα","","0.0586","0.0454","","","0.123","0.1381","","","","","","1.06","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331879","15.078","0.006","17.873","0.008","21.301","0.014","72.328","0.016","72.612","0.016","72.471","0.013","5078","5","193","2","193","2","","","","","","","","9","P -1","-P 1","2","EBDC-Cl3-","","","- C72 H142 B2 Cl4 Fe6 Mo2 N17 O2 S8 -","- C72 H114 B2 Cl4 Fe6 Mo2 N17 O2 S8 -","- C144 H228 B4 Cl8 Fe12 Mo4 N34 O4 S16 -","2","1","","Berlinguette, Curtis P.; Miyaji, Taichi; Zhang, Yugen; Holm, R. H.","Precursors to Clusters with the Topology of the PNCluster of Nitrogenase: Edge-Bridged Double Cubane Clusters [(Tp)2Mo2Fe6S8L4]z: Synthesis, Structures, and Electron Transfer Series","Inorganic Chemistry","2006","45","5","1997","2007","10.1021/ic051770k","","","0.71073","MoKα","","0.0468","0.0377","","","0.1066","0.1138","","","","","","0.986","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331880","13.902","0.002","17.331","0.003","16.724","0.003","90","","109.696","0.003","90","","3793.7","1.1","193","2","193","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C43 H83.5 B2 F2 Fe6 Mo2 N15.5 O9 -","- C42 H18 B2 F2 Fe6 Mo2 N15.5 O S9 -","- C84 H36 B4 F4 Fe12 Mo4 N31 O2 S18 -","2","0.5","","Berlinguette, Curtis P.; Miyaji, Taichi; Zhang, Yugen; Holm, R. H.","Precursors to Clusters with the Topology of the PNCluster of Nitrogenase: Edge-Bridged Double Cubane Clusters [(Tp)2Mo2Fe6S8L4]z: Synthesis, Structures, and Electron Transfer Series","Inorganic Chemistry","2006","45","5","1997","2007","10.1021/ic051770k","","","0.71073","MoKα","","0.0785","0.0553","","","0.1752","0.1988","","","","","","1.086","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331881","11.5203","0.0002","13.033","0.0003","16.9135","0.0004","90","","128.434","0.0013","90","","1989.22","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Cl2 N3 O Pt -","- C18 H25 Cl2 N3 O Pt -","- C72 H100 Cl8 N12 O4 Pt4 -","4","1","","Chuchuryukin, Alexey V.; Chase, Preston A.; Mills, Allison M.; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Hydroxy- and Mercaptopyridine Pincer Platinum and Palladium Complexes Generated by Silver-Free Halide Abstraction","Inorganic Chemistry","2006","45","5","2045","2054","10.1021/ic051773x","","","0.71073","MoKα","","0.0509","0.0279","","","0.0417","0.0458","","","","","","0.961","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331882","8.5072","0.0006","15.7519","0.0009","13.1651","0.0005","90","","115.722","0.006","90","","1589.37","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N3 O Pd -","- C17 H23 N3 O Pd -","- C68 H92 N12 O4 Pd4 -","4","1","","Chuchuryukin, Alexey V.; Chase, Preston A.; Mills, Allison M.; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Hydroxy- and Mercaptopyridine Pincer Platinum and Palladium Complexes Generated by Silver-Free Halide Abstraction","Inorganic Chemistry","2006","45","5","2045","2054","10.1021/ic051773x","","","0.71073","MoKα","","0.0298","0.021","","","0.0453","0.0485","","","","","","1.049","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331883","10.0702","0.0003","18.2011","0.0004","9.8155","0.0002","90","","90.7806","0.0009","90","","1798.9","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N3 O2 Pt -","- C17 H25 N3 O2 Pt -","- C68 H100 N12 O8 Pt4 -","4","1","","Chuchuryukin, Alexey V.; Chase, Preston A.; Mills, Allison M.; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Hydroxy- and Mercaptopyridine Pincer Platinum and Palladium Complexes Generated by Silver-Free Halide Abstraction","Inorganic Chemistry","2006","45","5","2045","2054","10.1021/ic051773x","","","0.71073","MoKα","","0.0604","0.0343","","","0.0633","0.0707","","","","","","1.029","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331884","8.9685","0.0004","10.3356","0.0006","20.2901","0.0011","85.786","0.005","87.66","0.004","88.475","0.004","1873.61","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H28 N3 O3.5 Pd -","- C17 H28 N3 O3.5 Pd -","- C68 H112 N12 O14 Pd4 -","4","2","","Chuchuryukin, Alexey V.; Chase, Preston A.; Mills, Allison M.; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Hydroxy- and Mercaptopyridine Pincer Platinum and Palladium Complexes Generated by Silver-Free Halide Abstraction","Inorganic Chemistry","2006","45","5","2045","2054","10.1021/ic051773x","","","0.71073","MoKα","","0.0266","0.0202","","","0.0469","0.0491","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331885","9.3387","0.0011","9.7915","0.0009","10.4295","0.0012","114.871","0.008","95.018","0.011","95.766","0.009","851.91","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 N3 Pt S -","- C17 H23 N3 Pt S -","- C34 H46 N6 Pt2 S2 -","2","1","","Chuchuryukin, Alexey V.; Chase, Preston A.; Mills, Allison M.; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Hydroxy- and Mercaptopyridine Pincer Platinum and Palladium Complexes Generated by Silver-Free Halide Abstraction","Inorganic Chemistry","2006","45","5","2045","2054","10.1021/ic051773x","","","0.71073","MoKα","","0.0348","0.0343","","","0.0971","0.0975","","","","","","1.137","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331886","9.308","0.003","9.759","0.004","10.5346","0.0015","114.5","0.03","95.17","0.02","96.53","0.019","855.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 N3 Pd S -","- C17 H23 N3 Pd S -","- C34 H46 N6 Pd2 S2 -","2","1","","Chuchuryukin, Alexey V.; Chase, Preston A.; Mills, Allison M.; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Hydroxy- and Mercaptopyridine Pincer Platinum and Palladium Complexes Generated by Silver-Free Halide Abstraction","Inorganic Chemistry","2006","45","5","2045","2054","10.1021/ic051773x","","","0.71073","MoKα","","0.0455","0.0343","","","0.0805","0.0846","","","","","","1.114","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331887","9.5326","0.0003","10.0782","0.0007","17.4735","0.001","90","","96.076","0.004","90","","1669.27","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N3 Pt S -","- C17 H23 N3 Pt S -","- C68 H92 N12 Pt4 S4 -","4","1","","Chuchuryukin, Alexey V.; Chase, Preston A.; Mills, Allison M.; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Hydroxy- and Mercaptopyridine Pincer Platinum and Palladium Complexes Generated by Silver-Free Halide Abstraction","Inorganic Chemistry","2006","45","5","2045","2054","10.1021/ic051773x","","","0.71073","MoKα","","0.0262","0.0215","","","0.0482","0.0501","","","","","","1.131","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331888","16.1224","0.0008","16.1224","0.0008","11.5088","0.0011","90","","90","","90","","2991.5","0.4","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H20 Co N6 O9 -","- C8 H18 Co N6 O8 -","- C64 H144 Co8 N48 O64 -","8","1","","Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate)","Inorganic Chemistry","2006","45","9","3549","3556","10.1021/ic051779m","","","0.71073","MoKα","","0.0672","0.0579","","","0.1425","0.1486","","","","","","1.058","","","","has coordinates","189196","2020-10-21","18:00:00",""
"4331889","16.2542","0.0008","16.2542","0.0008","11.535","0.001","90","","90","","90","","3047.5","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H20 Fe N6 O9 -","- C8 H18 Fe N6 O8 -","- C64 H144 Fe8 N48 O64 -","8","1","","Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate)","Inorganic Chemistry","2006","45","9","3549","3556","10.1021/ic051779m","","","0.71073","MoKα","","0.0991","0.0815","","","0.199","0.2098","","","","","","1.114","","","","has coordinates","189196","2020-10-21","18:00:00",""
"4331890","16.1405","0.0006","16.1405","0.0006","11.5809","0.0008","90","","90","","90","","3017","0.3","130","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H20 Mg N6 O9 -","- C8 H18 Mg N6 O8 -","- C64 H144 Mg8 N48 O64 -","8","1","","Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate)","Inorganic Chemistry","2006","45","9","3549","3556","10.1021/ic051779m","","","0.71073","MoKα","","0.1039","0.09","","","0.241","0.2526","","","","","","1.094","","","","has coordinates","189196","2020-10-21","18:00:00",""
"4331891","16.289","0.0012","16.289","0.0012","11.5022","0.0017","90","","90","","90","","3051.9","0.6","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H20 Mn N6 O9 -","- C8 H18 Mn N6 O8 -","- C64 H144 Mn8 N48 O64 -","8","1","","Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate)","Inorganic Chemistry","2006","45","9","3549","3556","10.1021/ic051779m","","","0.71073","MoKα","","0.1123","0.0862","","","0.1973","0.2135","","","","","","1.066","","","","has coordinates","189196","2020-10-21","18:00:00",""
"4331892","16.0562","0.0008","16.0562","0.0008","11.6135","0.0012","90","","90","","90","","2994","0.4","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H20 N6 Ni O9 -","- C8 H18 N6 Ni O8 -","- C64 H144 N48 Ni8 O64 -","8","1","","Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate)","Inorganic Chemistry","2006","45","9","3549","3556","10.1021/ic051779m","","","0.71073","MoKα","","0.0583","0.0487","","","0.1307","0.1372","","","","","","1.062","","","","has coordinates","189196","2020-10-21","18:00:00",""
"4331893","16.1337","0.0005","16.1337","0.0005","11.646","0.0007","90","","90","","90","","3031.4","0.2","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H20 N6 O9 Zn -","- C8 H18 N6 O8 Zn -","- C64 H144 N48 O64 Zn8 -","8","1","","Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate)","Inorganic Chemistry","2006","45","9","3549","3556","10.1021/ic051779m","","","0.71073","MoKα","","0.0506","0.0442","","","0.1262","0.1312","","","","","","1.067","","","","has coordinates","189196","2020-10-21","18:00:00",""
"4331894","11.6513","0.0005","12.5267","0.0008","14.5392","0.0008","76.714","0.002","88.574","0.002","79.061","0.003","2027.32","0.19","296.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H36 Br Cl3 P2 Pt S -","- C43 H36 Br Cl3 P2 Pt S -","- C86 H72 Br2 Cl6 P4 Pt2 S2 -","2","1","","Yamashita, Fumikazu; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki","cis-to-trans Isomerization Promoted by Pyridine as a Crucial Step for the Selective Preparation oftrans-Pt(SAr)(Cl)(PAr‘3)2","Inorganic Chemistry","2006","45","3","1399","1404","10.1021/ic051780l","","","0.7107","MoKα","","","0.0403","","","","0.1149","","","","","","1.913","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331895","16.0554","0.0019","19.335","0.002","11.6391","0.0014","90","","90","","90","","3613.1","0.7","218","2","218","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H32 Al N8 O2 -","- C46 H30 Al N8 O2 -","- C184 H120 Al4 N32 O8 -","4","0.5","","Cissell, Julie A.; Vaid, Thomas P.; Rheingold, Arnold L.","Aluminum Tetraphenylporphyrin and Aluminum Phthalocyanine Neutral Radicals","Inorganic Chemistry","2006","45","6","2367","2369","10.1021/ic051794r","","","0.71073","MoKα","","0.0615","0.0483","","","0.1271","0.1369","","","","","","1.066","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331896","10.0334","0.0019","11.262","0.002","11.698","0.002","99.211","0.003","105.117","0.003","99.864","0.003","1227.7","0.4","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 Al N4 O4 -","- C52 H44 Al N4 O2 -","- C52 H44 Al N4 O2 -","1","0.5","","Cissell, Julie A.; Vaid, Thomas P.; Rheingold, Arnold L.","Aluminum Tetraphenylporphyrin and Aluminum Phthalocyanine Neutral Radicals","Inorganic Chemistry","2006","45","6","2367","2369","10.1021/ic051794r","","","0.71073","MoKα","","0.0689","0.0574","","","0.1712","0.181","","","","","","1.031","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331897","24.212","0.003","15.116","0.001","7.6453","0.0007","90","","98.276","0.005","90","","2769","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 O P -","- C38 H31 O P -","- C152 H124 O4 P4 -","4","1","","Matkovich, Kristin M.; Thorne, Lisa M.; Wolf, Michael O.; Pace, Tamara C. S.; Bohne, Cornelia; Patrick, Brian O.","Luminescence of Ruthenium Halide Complexes Containing a Hemilabile Phosphine Pyrenyl Ether Ligand","Inorganic Chemistry","2006","45","12","4610","4618","10.1021/ic051795j","","","0.71069","MoKα","","0.1336","0.0514","","","0.1031","0.1294","","","","","","1.019","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331898","12.906","0.004","9.528","0.002","6.438","0.002","90","","90","","90","","791.7","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H11 F3 Fe N2 O3 P -","- C2 H11 F3 Fe N2 O3 P -","- C8 H44 F12 Fe4 N8 O12 P4 -","4","1","","Fernández-Armas, Sergio; Mesa, José L.; Pizarro, José L.; Clemente-Juan, Juan Modesto; Coronado, Eugenio; Arriortua, María I.; Rojo, Teófilo","Parametrization of the Magnetic Behavior of the Triangular Spin Ladder Chains Organically Templated: (C2N2H10)[M(HPO3)F3] (MIII= Fe, Cr, and V). Crystal Structure and Thermal and Spectroscopic Properties of the Iron(III) Phase","Inorganic Chemistry","2006","45","8","3240","3248","10.1021/ic051804o","","","0.71073","MoKα","","0.0686","0.0361","","","0.0624","0.0682","","","","","","0.822","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331899","13.6929","0.0019","13.6929","0.0019","50.664","0.01","90","","90","","90","","9499","3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H34 N4 O18 Zn3 -","- C30 H34 N4 O18 Zn3 -","- C240 H272 N32 O144 Zn24 -","8","1","","Fang, Qianrong; Zhu, Guangshan; Xue, Ming; Sun, Jinyu; Sun, Fuxing; Qiu, Shilun","Structure, Luminescence, and Adsorption Properties of Two Chiral Microporous Metal−Organic Frameworks","Inorganic Chemistry","2006","45","9","3582","3587","10.1021/ic051810k","","","0.71073","MoKα","","0.1081","0.0761","","","0.2","0.2191","","","","","","1.079","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331900","10.3503","0.0004","10.3503","0.0004","52.557","0.003","90","","90","","90","","5630.4","0.4","293","2","293","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C16.5 H11.5 Cd2 N O11.25 -","- C16.5 H11.5 Cd2 N O11.25 -","- C132 H92 Cd16 N8 O90 -","8","1","","Fang, Qianrong; Zhu, Guangshan; Xue, Ming; Sun, Jinyu; Sun, Fuxing; Qiu, Shilun","Structure, Luminescence, and Adsorption Properties of Two Chiral Microporous Metal−Organic Frameworks","Inorganic Chemistry","2006","45","9","3582","3587","10.1021/ic051810k","","","0.71073","MoKα","","0.046","0.0417","","","0.1234","0.1256","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331901","11.2002","0.0012","22.447","0.003","22.39","0.002","90","","107.735","0.008","90","","5361.6","1.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Ca F24 N6 O16 S8 -","- C24 H36 Ca F24 N6 O16 S8 -","- C96 H144 Ca4 F96 N24 O64 S32 -","4","1","","Babai, Arash; Mudring, Anja-Verena","Homoleptic Alkaline Earth Metal Bis(trifluoromethanesulfonyl)imide Complex Compounds Obtained from an Ionic Liquid","Inorganic Chemistry","2006","45","8","3249","3255","10.1021/ic051820l","","","0.71073","MoKα","","0.1673","0.0543","","","0.1057","0.1414","","","","","","0.818","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331902","12.3765","0.0005","25.0429","0.0012","23.0517","0.0012","90","","90","","90","","7144.7","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Ba F18 N4 O12 S6 -","- C14 H18 Ba F18 N4 O12 S6 -","- C112 H144 Ba8 F144 N32 O96 S48 -","8","1","","Babai, Arash; Mudring, Anja-Verena","Homoleptic Alkaline Earth Metal Bis(trifluoromethanesulfonyl)imide Complex Compounds Obtained from an Ionic Liquid","Inorganic Chemistry","2006","45","8","3249","3255","10.1021/ic051820l","","","0.71073","MoKα","","0.0456","0.0281","","","0.0625","0.0691","","","","","","1.001","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331903","11.4883","0.0007","22.1512","0.0013","23.5346","0.0013","90","","105.729","0.004","90","","5764.8","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 F24 N6 O16 S8 Sr -","- C24 H36 F24 N6 O16 S8 Sr -","- C96 H144 F96 N24 O64 S32 Sr4 -","4","1","","Babai, Arash; Mudring, Anja-Verena","Homoleptic Alkaline Earth Metal Bis(trifluoromethanesulfonyl)imide Complex Compounds Obtained from an Ionic Liquid","Inorganic Chemistry","2006","45","8","3249","3255","10.1021/ic051820l","","","0.71073","MoKα","","0.1522","0.0625","","","0.156","0.1986","","","","","","0.904","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331904","16.95","0.003","14.65","0.0007","19.63","0.0005","90","","102.58","0.0005","90","","4757.5","0.9","120","5","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Co2 O5 Rh S2 -","- C21 H19 Co2 O5 Rh S2 -","- C168 H152 Co16 O40 Rh8 S16 -","8","2","","Nakagawa, Norikiyo; Yamada, Teppei; Murata, Masaki; Sugimoto, Manabu; Nishihara, Hiroshi","Thermochromic Triangular [MCo2] (M = Rh, Ir, Ru) Clusters Containing a Planar Metalladithiolene Ring in η3Coordination","Inorganic Chemistry","2006","45","1","14","16","10.1021/ic051829n","","","0.71069","MoKα","","","0.0572","","","","0.109","","","","","","0.902","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331905","16.835","0.005","14.421","0.004","19.589","0.005","90","","102.641","0.004","90","","4640","2","120","5","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Co2 Ir O5 S2 -","- C21 H19 Co2 Ir O5 S2 -","- C168 H152 Co16 Ir8 O40 S16 -","8","2","","Nakagawa, Norikiyo; Yamada, Teppei; Murata, Masaki; Sugimoto, Manabu; Nishihara, Hiroshi","Thermochromic Triangular [MCo2] (M = Rh, Ir, Ru) Clusters Containing a Planar Metalladithiolene Ring in η3Coordination","Inorganic Chemistry","2006","45","1","14","16","10.1021/ic051829n","","","0.7107","MoKα","","","0.039","","","","0.0942","","","","","","1.051","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331906","10.096","0.004","16.31","0.006","15.174","0.006","90","","103.259","0.001","90","","2432","1.6","113","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Co2 O5 Ru S2 -","- C23 H22 Co2 O5 Ru S2 -","- C92 H88 Co8 O20 Ru4 S8 -","4","1","","Nakagawa, Norikiyo; Yamada, Teppei; Murata, Masaki; Sugimoto, Manabu; Nishihara, Hiroshi","Thermochromic Triangular [MCo2] (M = Rh, Ir, Ru) Clusters Containing a Planar Metalladithiolene Ring in η3Coordination","Inorganic Chemistry","2006","45","1","14","16","10.1021/ic051829n","","","0.7107","MoKα","","","0.0239","","","","0.0498","","","","","","1.1","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331907","16.1809","0.0011","14.7469","0.0009","14.6598","0.001","90","","112.298","0.002","90","","3236.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 Fe N4 -","- C35 H48 Fe N4 -","- C140 H192 Fe4 N16 -","4","1","","Bouwkamp, Marco W.; Lobkovsky, Emil; Chirik, Paul J.","Bis(imino)pyridine Ligand Deprotonation Promoted by a Transient Iron Amide","Inorganic Chemistry","2006","45","1","2","4","10.1021/ic051839o","","","0.71073","MoKα","","0.0653","0.0453","","","0.1142","0.1296","","","","","","1.032","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331908","12.017","0.0017","24.309","0.003","22.996","0.003","90","","100.635","0.006","90","","6602.2","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H94 Fe2 K2 N6 O3 -","- C70 H94 Fe2 K2 N6 O3 -","- C280 H376 Fe8 K8 N24 O12 -","4","1","","Bouwkamp, Marco W.; Lobkovsky, Emil; Chirik, Paul J.","Bis(imino)pyridine Ligand Deprotonation Promoted by a Transient Iron Amide","Inorganic Chemistry","2006","45","1","2","4","10.1021/ic051839o","","","0.71073","MoKα","","0.0739","0.0456","","","0.1279","0.1405","","","","","","1.134","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331909","13.0345","0.0009","19.0398","0.0014","17.7903","0.0014","90","","94.093","0.002","90","","4403.8","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H66 Fe K N4 O2 -","- C43 H66 Fe K N4 O2 -","- C172 H264 Fe4 K4 N16 O8 -","4","1","","Bouwkamp, Marco W.; Lobkovsky, Emil; Chirik, Paul J.","Bis(imino)pyridine Ligand Deprotonation Promoted by a Transient Iron Amide","Inorganic Chemistry","2006","45","1","2","4","10.1021/ic051839o","","","0.71073","MoKα","","0.0588","0.0379","","","0.1035","0.1139","","","","","","1.052","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331910","9.4339","0.0004","17.3904","0.0007","19.6907","0.0009","90","","97.943","0.005","90","","3199.4","0.2","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Cr N O S4 -","- C30 H48 Cr N O S4 -","- C120 H192 Cr4 N4 O4 S16 -","4","1","","Kapre, Ruta; Ray, Kallol; Sylvestre, Isabelle; Weyhermüller, Thomas; DeBeer George, Serena; Neese, Frank; Wieghardt, Karl","Molecular and Electronic Structures of Oxo-bis(benzene-1,2-dithiolato)chromate(V) Monoanions. A Combined Experimental and Density Functional Study","Inorganic Chemistry","2006","45","9","3499","3509","10.1021/ic051844s","","","0.71073","MoKα","","0.0752","0.0459","","","0.093","0.1037","","","","","","1.038","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331911","10.0423","0.0006","19.7433","0.0012","26.8","0.002","90","","96.93","0.02","90","","5274.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H66 As Cr N2 O S4 -","- C56 H66 As Cr N2 O S4 -","- C224 H264 As4 Cr4 N8 O4 S16 -","4","1","","Kapre, Ruta; Ray, Kallol; Sylvestre, Isabelle; Weyhermüller, Thomas; DeBeer George, Serena; Neese, Frank; Wieghardt, Karl","Molecular and Electronic Structures of Oxo-bis(benzene-1,2-dithiolato)chromate(V) Monoanions. A Combined Experimental and Density Functional Study","Inorganic Chemistry","2006","45","9","3499","3509","10.1021/ic051844s","","","0.71073","MoKα","","0.124","0.0982","","","0.204","0.2149","","","","","","1.202","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331912","8.5085","0.0004","12.7251","0.0006","9.8961","0.0004","90","","107.117","0.001","90","","1024.01","0.08","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C H2 Cs2 Fe O10 P2 -","- C Cs2 Fe O10 P2 -","- C4 Cs8 Fe4 O40 P8 -","4","1","","Sheu, Chyi-Yang; Lee, Shang-Fan; Lii, Kwang-Hwa","Ionic Liquid of Choline Chloride/Malonic Acid as a Solvent in the Synthesis of Open-Framework Iron Oxalatophosphates","Inorganic Chemistry","2006","45","5","1891","1893","10.1021/ic0518475","","","0.71073","MoKα","","0.0272","0.0264","","","0.0625","0.0629","","","","","","1.166","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331913","8.0038","0.0003","10.2923","0.0003","11.4755","0.0004","90","","100.507","0.001","90","","929.47","0.05","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C H3 Cs Fe O10 P2 -","- C H3 Cs Fe O10 P2 -","- C4 H12 Cs4 Fe4 O40 P8 -","4","1","","Sheu, Chyi-Yang; Lee, Shang-Fan; Lii, Kwang-Hwa","Ionic Liquid of Choline Chloride/Malonic Acid as a Solvent in the Synthesis of Open-Framework Iron Oxalatophosphates","Inorganic Chemistry","2006","45","5","1891","1893","10.1021/ic0518475","","","0.71073","MoKα","","0.0437","0.0311","","","0.0603","0.076","","","","","","1.014","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331914","13.709","0.004","9.031","0.003","19.025","0.006","90","","98.108","0.005","90","","2331.9","1.3","206","2","206","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H41 Al N6 -","- C18 H41 Al N6 -","- C72 H164 Al4 N24 -","4","1","","Brazeau, Allison L.; Wang, Zhaohui; Rowley, Chris N.; Barry, Seán T.","Synthesis and Thermolysis of Aluminum Amidinates: A Ligand-Exchange Route for New Mixed-Ligand Systems","Inorganic Chemistry","2006","45","5","2276","2281","10.1021/ic051856d","","","0.71073","MoKα","","0.1195","0.0632","","","0.1408","0.1618","","","","","","1.019","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331915","14.0805","0.0009","13.9988","0.0009","26.2151","0.0017","90","","100.277","0.001","90","","5084.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H48 N7 Nd O21 Zn2 -","- C46 H48 N7 Nd O21 Zn2 -","- C184 H192 N28 Nd4 O84 Zn8 -","4","1","","Wong, Wai-Kwok; Yang, Xiaoping; Jones, Richard A.; Rivers, Joseph H.; Lynch, Vince; Lo, Wing-Kit; Xiao, Dang; Oye, Michael M.; Holmes, Archie L.","Multinuclear Luminescent Schiff-Base Zn−Nd Sandwich Complexes","Inorganic Chemistry","2006","45","11","4340","4345","10.1021/ic051866e","","","0.71073","MoKα","","0.0557","0.0367","","","0.0954","0.1024","","","","","","0.978","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331916","13.271","0.003","13.47","0.003","31.17","0.006","90","","90","","90","","5572","2","153","1","153","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H60 Cl3 N4 Nd O18 Zn2 -","- C46 H60 Cl3 N4 Nd O18 Zn2 -","- C184 H240 Cl12 N16 Nd4 O72 Zn8 -","4","1","","Wong, Wai-Kwok; Yang, Xiaoping; Jones, Richard A.; Rivers, Joseph H.; Lynch, Vince; Lo, Wing-Kit; Xiao, Dang; Oye, Michael M.; Holmes, Archie L.","Multinuclear Luminescent Schiff-Base Zn−Nd Sandwich Complexes","Inorganic Chemistry","2006","45","11","4340","4345","10.1021/ic051866e","","","0.71073","MoKα","","0.0936","0.0729","","","0.1762","0.1874","","","","","","1.062","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331917","13.516","0.003","14.284","0.003","14.358","0.003","82.55","0.03","76.2","0.03","72.59","0.03","2563.6","1.1","153","1","153","1","","","","","","","","7","P -1","-P 1","2","","","","- C47 H48 Cl6 N4 Nd2 O11 Zn2 -","- C47 H48 Cl6 N4 Nd2 O11 Zn2 -","- C94 H96 Cl12 N8 Nd4 O22 Zn4 -","2","1","","Wong, Wai-Kwok; Yang, Xiaoping; Jones, Richard A.; Rivers, Joseph H.; Lynch, Vince; Lo, Wing-Kit; Xiao, Dang; Oye, Michael M.; Holmes, Archie L.","Multinuclear Luminescent Schiff-Base Zn−Nd Sandwich Complexes","Inorganic Chemistry","2006","45","11","4340","4345","10.1021/ic051866e","","","0.71073","MoKα","","0.1049","0.0508","","","0.1084","0.1277","","","","","","1.036","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331918","9.5124","0.0019","16.439","0.003","19.317","0.004","90","","90","","90","","3020.7","1","153","1","153","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H24 N7 Nd O13 Zn -","- C26 H24 N7 Nd O13 Zn -","- C104 H96 N28 Nd4 O52 Zn4 -","4","1","","Wong, Wai-Kwok; Yang, Xiaoping; Jones, Richard A.; Rivers, Joseph H.; Lynch, Vince; Lo, Wing-Kit; Xiao, Dang; Oye, Michael M.; Holmes, Archie L.","Multinuclear Luminescent Schiff-Base Zn−Nd Sandwich Complexes","Inorganic Chemistry","2006","45","11","4340","4345","10.1021/ic051866e","","","0.71073","MoKα","","0.0501","0.0341","","","0.076","0.0824","","","","","","1.024","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331919","23.6315","0.0014","15.8862","0.0014","13.9518","0.001","90","","90","","90","","5237.7","0.7","100","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","H3.87 Na0.67 O4 U0.40","Na5[(UO2)3(O2)4(OH)3](H2O)13","","- H3.87 Na0.67 O4 U0.4 -","- Na0.666667 O4 U0.4 -","- Na40 O240 U24 -","60","","","Kubatko, Karrie-Ann; Burns, Peter C.","Expanding the Crystal Chemistry of Actinyl Peroxides: Open Sheets of Uranyl Polyhedra in Na5[(UO2)3(O2)4(OH)3](H2O)13","Inorganic Chemistry","2006","45","16","6096","6098","10.1021/ic0518677","","","0.71073","MoKα","","0.1264","0.0547","","","0.1233","0.1515","","","","","","0.755","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331920","16.0921","0.0007","19.0138","0.0009","12.4404","0.0006","90","","94.1315","0.0019","90","","3796.5","0.3","18","2","18","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cr N6 S12 -","- C32 H22 Cr N6 S12 -","- C128 H88 Cr4 N24 S48 -","4","0.5","","Kudo, Satoshi; Miyazaki, Akira; Enoki, Toshiaki; Golhen, Stéphane; Ouahab, Lahcène; Toita, Takashi; Yamada, Jun-ichi","Pressure Effect on Bulk Weak Ferromagnets: (BDH-TTP)[M(isoq)2(NCS)4] (M = CrIII, FeIII; isoq = Isoquinoline)","Inorganic Chemistry","2006","45","9","3718","3725","10.1021/ic0518778","","","0.71073","MoKα","","0.0416","0.0367","","","0.1001","0.1049","","","","","","0.969","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331921","16.1944","0.0011","19.2325","0.0012","12.6558","0.001","90","","95.687","0.003","90","","3922.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cr N6 S12 -","- C32 H22 Cr N6 S12 -","- C128 H88 Cr4 N24 S48 -","4","0.5","","Kudo, Satoshi; Miyazaki, Akira; Enoki, Toshiaki; Golhen, Stéphane; Ouahab, Lahcène; Toita, Takashi; Yamada, Jun-ichi","Pressure Effect on Bulk Weak Ferromagnets: (BDH-TTP)[M(isoq)2(NCS)4] (M = CrIII, FeIII; isoq = Isoquinoline)","Inorganic Chemistry","2006","45","9","3718","3725","10.1021/ic0518778","","","0.71073","MoKα","","0.1077","0.0537","","","0.1343","0.1683","","","","","","1.014","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331922","16.177","0.0006","19.0467","0.0006","12.4388","0.0005","90","","93.7432","0.0014","90","","3824.4","0.2","18","2","18","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Fe N6 S12 -","- C32 H22 Fe N6 S12 -","- C128 H88 Fe4 N24 S48 -","4","0.5","","Kudo, Satoshi; Miyazaki, Akira; Enoki, Toshiaki; Golhen, Stéphane; Ouahab, Lahcène; Toita, Takashi; Yamada, Jun-ichi","Pressure Effect on Bulk Weak Ferromagnets: (BDH-TTP)[M(isoq)2(NCS)4] (M = CrIII, FeIII; isoq = Isoquinoline)","Inorganic Chemistry","2006","45","9","3718","3725","10.1021/ic0518778","","","0.71073","MoKα","","0.0494","0.0381","","","0.0883","0.0935","","","","","","1.063","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331923","16.2691","0.0009","19.2402","0.0011","12.6693","0.0008","90","","95.237","0.002","90","","3949.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Fe N6 S12 -","- C32 H22 Fe N6 S12 -","- C128 H88 Fe4 N24 S48 -","4","0.5","","Kudo, Satoshi; Miyazaki, Akira; Enoki, Toshiaki; Golhen, Stéphane; Ouahab, Lahcène; Toita, Takashi; Yamada, Jun-ichi","Pressure Effect on Bulk Weak Ferromagnets: (BDH-TTP)[M(isoq)2(NCS)4] (M = CrIII, FeIII; isoq = Isoquinoline)","Inorganic Chemistry","2006","45","9","3718","3725","10.1021/ic0518778","","","0.71073","MoKα","","0.1049","0.0512","","","0.123","0.1519","","","","","","1.006","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331924","15.033","0.003","27.353","0.006","10.26","0.002","90","","108.5","0.03","90","","4000.9","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 B N O2 -","- C27 H18 B N O2 -","- C216 H144 B8 N8 O16 -","8","2","","Zhang, Hongyu; Huo, Cheng; Ye, Kaiqi; Zhang, Peng; Tian, Wenjing; Wang, Yue","Synthesis, Structures, and Luminescent Properties of Phenol−Pyridyl Boron Complexes","Inorganic Chemistry","2006","45","7","2788","2794","10.1021/ic051881j","","","0.71073","MoKα","","0.1865","0.049","","","0.104","0.1608","","","","","","0.715","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331925","9.3095","0.0019","11.609","0.002","12","0.002","65.96","0.03","74.95","0.03","75.2","0.03","1127.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 B Cl3 N O3 -","- C25 H19 B Cl3 N O3 -","- C50 H38 B2 Cl6 N2 O6 -","2","1","","Zhang, Hongyu; Huo, Cheng; Ye, Kaiqi; Zhang, Peng; Tian, Wenjing; Wang, Yue","Synthesis, Structures, and Luminescent Properties of Phenol−Pyridyl Boron Complexes","Inorganic Chemistry","2006","45","7","2788","2794","10.1021/ic051881j","","","0.71073","MoKα","","0.095","0.0429","","","0.1219","0.1461","","","","","","0.807","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331926","7.626","0.0015","25.956","0.005","13.249","0.003","90","","104.34","0.03","90","","2540.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 B N2 O3 -","- C31 H27 B N2 O3 -","- C124 H108 B4 N8 O12 -","4","1","","Zhang, Hongyu; Huo, Cheng; Ye, Kaiqi; Zhang, Peng; Tian, Wenjing; Wang, Yue","Synthesis, Structures, and Luminescent Properties of Phenol−Pyridyl Boron Complexes","Inorganic Chemistry","2006","45","7","2788","2794","10.1021/ic051881j","","","0.71073","MoKα","","0.158","0.0436","","","0.0911","0.1418","","","","","","0.767","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331927","11.251","0.002","13.175","0.003","14.369","0.003","103.136","0.003","107.623","0.003","102.179","0.003","1884.9","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","05204","","","- C46 H30 Br Co N4 -","- C46 H29.9363 Br1.0637 Co N4 -","- C92 H59.8726 Br2.1274 Co2 N8 -","2","1","","Fritsch, Joseph M.; Retka, Noah D.; McNeill, Kristopher","Synthesis, Structure, and Unusual Reactivity of β-Halovinyl Cobalt Porphyrin Complexes","Inorganic Chemistry","2006","45","5","2288","2295","10.1021/ic0518834","","","0.71073","MoKα","","0.0532","0.0447","","","0.1191","0.1242","","","","","","1.076","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331928","12.237","0.0015","12.3804","0.0015","13.7944","0.0017","67.209","0.002","86.051","0.002","66.063","0.002","1751.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","05026","","","- C46 H29 Cl2 Co N4 -","- C46 H29 Cl2 Co N4 -","- C92 H58 Cl4 Co2 N8 -","2","1","","Fritsch, Joseph M.; Retka, Noah D.; McNeill, Kristopher","Synthesis, Structure, and Unusual Reactivity of β-Halovinyl Cobalt Porphyrin Complexes","Inorganic Chemistry","2006","45","5","2288","2295","10.1021/ic0518834","","","0.71073","MoKα","","0.0473","0.0391","","","0.1006","0.1052","","","","","","1.064","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331929","13.52","0.0009","13.52","","9.789","0.0007","90","","90","","90","","1789.34","0.17","173","2","173","2","","","","","","","","4","I 4/m","-I 4","87","05250","","","- C46 H29 Co N4 -","- C48 H30 Co N4 -","- C96 H60 Co2 N8 -","2","0.125","","Fritsch, Joseph M.; Retka, Noah D.; McNeill, Kristopher","Synthesis, Structure, and Unusual Reactivity of β-Halovinyl Cobalt Porphyrin Complexes","Inorganic Chemistry","2006","45","5","2288","2295","10.1021/ic0518834","","","0.71069","MoKα","","0.037","0.036","","","0.1126","0.1134","","","","","","1.254","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331930","11.611","0.001","8.814","0.001","15.073","0.002","90","","90","","90","","1542.6","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H22 Cl2 O6 P2 -","- C8 H22 Cl2 O6 P2 -","- C32 H88 Cl8 O24 P8 -","4","0.5","","Moiseev, Dmitry; James, Brian R.; Patrick, Brian O.; Hu, Thomas Q.","New Oligophosphines and (Hydroxymethyl)phosphonium Chlorides","Inorganic Chemistry","2006","45","7","2917","2924","10.1021/ic0518935","","","0.71069","MoKα","","0.0647","0.0384","","","0.0841","0.0925","","","","","","1.056","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331931","10.6395","0.0013","10.6395","0.0013","6.8114","0.0011","90","","90","","120","","667.74","0.16","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 Eu4 I3 In0.08 N6 -","- C3 Eu4 I3 In0.074 N6 -","- C6 Eu8 I6 In0.148 N12 -","2","0.0833333","","Liao, Wuping; Dronskowski, Richard","Crystal Structures of Extended Europium Cyanamide−Carbodiimide Compounds Derived from Different Reaction Conditions: Temperature-Controlled Syntheses of In0.08Eu4(NCN)3I3, Eu8I9(CN)(NCN)3, and In0.28Eu12(NCN)5I14.91","Inorganic Chemistry","2006","45","10","3828","3830","10.1021/ic051899u","","","0.71073","MoKα","","0.0544","0.0374","","","0.0852","0.0902","","","","","","1.173","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331932","10.6132","0.0009","10.6132","0.0009","7.7832","0.0009","90","","90","","120","","759.24","0.13","293","2","293","2","","","","","","","","4","P 3 m 1","P 3 -2""","156","","","","- C4 Eu8 I9 N7 -","- C4 Eu8 I9 N7 -","- C4 Eu8 I9 N7 -","1","0.166667","","Liao, Wuping; Dronskowski, Richard","Crystal Structures of Extended Europium Cyanamide−Carbodiimide Compounds Derived from Different Reaction Conditions: Temperature-Controlled Syntheses of In0.08Eu4(NCN)3I3, Eu8I9(CN)(NCN)3, and In0.28Eu12(NCN)5I14.91","Inorganic Chemistry","2006","45","10","3828","3830","10.1021/ic051899u","","","0.71073","MoKα","","0.0423","0.0344","","","0.0647","0.0671","","","","","","1.097","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331933","10.7335","0.0017","10.7335","0.0017","72.375","0.016","90","","90","","120","","7221","2","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C5 Eu12 I14.91 In0.28 N10 -","- C5 Eu12 I14.909 In0.2775 N10 -","- C30 Eu72 I89.454 In1.665 N60 -","6","0.166667","","Liao, Wuping; Dronskowski, Richard","Crystal Structures of Extended Europium Cyanamide−Carbodiimide Compounds Derived from Different Reaction Conditions: Temperature-Controlled Syntheses of In0.08Eu4(NCN)3I3, Eu8I9(CN)(NCN)3, and In0.28Eu12(NCN)5I14.91","Inorganic Chemistry","2006","45","10","3828","3830","10.1021/ic051899u","","","0.71073","MoKα","","0.0578","0.0439","","","0.0819","0.085","","","","","","1.12","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331934","7.6006","0.0002","15.4326","0.0006","10.153","0.0003","90","","99.141","0.002","90","","1175.79","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 Cl2 N6 O4 Pt -","- C16 H34 Cl2 N6 O4 Pt -","- C32 H68 Cl4 N12 O8 Pt2 -","2","0.5","","Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Kuznetsov, Maxim L.; Ryabov, Alexander D.; Galanski, Markus; Haukka, Matti; Tretyakov, Eugene V.; Ovcharenko, Victor I.; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.","Kinetic and Thermodynamic Aspects of the Regioselective Addition of Bifunctional Hydroxylaminooxime-type HO-Nucleophiles to Pt-Complexed Nitriles","Inorganic Chemistry","2006","45","5","2296","2306","10.1021/ic051909r","","","0.71073","MoKα","","0.0337","0.0272","","","0.0685","0.0722","","","","","","1.079","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331935","9.8206","0.0006","15.7599","0.001","10.5418","0.001","90","","97.395","0.007","90","","1618","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl4 N6 O4 Pt -","- C26 H38 Cl4 N6 O4 Pt -","- C52 H76 Cl8 N12 O8 Pt2 -","2","0.5","","Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Kuznetsov, Maxim L.; Ryabov, Alexander D.; Galanski, Markus; Haukka, Matti; Tretyakov, Eugene V.; Ovcharenko, Victor I.; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.","Kinetic and Thermodynamic Aspects of the Regioselective Addition of Bifunctional Hydroxylaminooxime-type HO-Nucleophiles to Pt-Complexed Nitriles","Inorganic Chemistry","2006","45","5","2296","2306","10.1021/ic051909r","","","0.71073","MoKα","","0.0557","0.0241","","","0.0397","0.0449","","","","","","1.023","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331936","7.2923","0.0002","9.0813","0.0004","13.2633","0.0006","77.931","0.002","85.591","0.003","73.284","0.003","822.5","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H42 Cl4 N6 O4 Pt -","- C23 H42 Cl4 N6 O4 Pt -","- C23 H42 Cl4 N6 O4 Pt -","1","0.5","","Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Kuznetsov, Maxim L.; Ryabov, Alexander D.; Galanski, Markus; Haukka, Matti; Tretyakov, Eugene V.; Ovcharenko, Victor I.; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.","Kinetic and Thermodynamic Aspects of the Regioselective Addition of Bifunctional Hydroxylaminooxime-type HO-Nucleophiles to Pt-Complexed Nitriles","Inorganic Chemistry","2006","45","5","2296","2306","10.1021/ic051909r","","","0.71073","MoKα","","0.0311","0.0305","","","0.0725","0.0728","","","","","","1.047","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331937","8.9309","0.0003","9.0528","0.0003","13.2321","0.0006","99.276","0.002","106.497","0.002","100.964","0.002","980.38","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H10 Cl2 N2 O2 Pt -","- C5 H10 Cl2 N2 O2 Pt -","- C20 H40 Cl8 N8 O8 Pt4 -","4","2","","Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Kuznetsov, Maxim L.; Ryabov, Alexander D.; Galanski, Markus; Haukka, Matti; Tretyakov, Eugene V.; Ovcharenko, Victor I.; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.","Kinetic and Thermodynamic Aspects of the Regioselective Addition of Bifunctional Hydroxylaminooxime-type HO-Nucleophiles to Pt-Complexed Nitriles","Inorganic Chemistry","2006","45","5","2296","2306","10.1021/ic051909r","","","0.71073","MoKα","","0.075","0.0481","","","0.109","0.1198","","","","","","1.091","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331938","23.9451","0.0011","7.4305","0.0006","27.368","0.002","90","","90","","90","","4869.4","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Cl N5 O6 -","- C20 H32 Cl N5 O6 -","- C160 H256 Cl8 N40 O48 -","8","1","","Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Kuznetsov, Maxim L.; Ryabov, Alexander D.; Galanski, Markus; Haukka, Matti; Tretyakov, Eugene V.; Ovcharenko, Victor I.; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.","Kinetic and Thermodynamic Aspects of the Regioselective Addition of Bifunctional Hydroxylaminooxime-type HO-Nucleophiles to Pt-Complexed Nitriles","Inorganic Chemistry","2006","45","5","2296","2306","10.1021/ic051909r","","","0.71073","MoKα","","0.097","0.0558","","","0.1164","0.1357","","","","","","1.047","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4331939","18.0551","0.0008","10.7478","0.0005","15.3504","0.0007","90","","99.242","0.001","90","","2940.1","0.2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","cesium uranyl cobalt phosphate","","","- Co2 Cs2 O32 P5 U4 -","- Co2 Cs2 O32 P5 U4 -","- Co8 Cs8 O128 P20 U16 -","4","0.5","","Shvareva, Tatiana Y.; Albrecht-Schmitt, Thomas E.","General Route to Three-Dimensional Framework Uranyl Transition Metal Phosphates with Atypical Structural Motifs: The Case Examples of Cs2{(UO2)4[Co(H2O)2]2(HPO4)(PO4)4} and Cs3+x[(UO2)3CuH4-x(PO4)5]·H2O","Inorganic Chemistry","2006","45","5","1900","1902","10.1021/ic051922b","","","0.71073","MoKα","","0.0337","0.0281","","","0.0677","0.0692","","","","","","1.047","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331940","7.5867","0.0004","19.9574","0.001","17.9726","0.0009","90","","90","","90","","2721.2","0.2","193","2","193","2","","","","","","","","5","P b c m","-P 2c 2b","57","cesium uranyl copper phosphate","","","- Cs3.14 Cu O27 P5 U3 -","- Cs6.276 Cu2 O54 P10 U6 -","- Cs12.552 Cu4 O108 P20 U12 -","2","0.25","","Shvareva, Tatiana Y.; Albrecht-Schmitt, Thomas E.","General Route to Three-Dimensional Framework Uranyl Transition Metal Phosphates with Atypical Structural Motifs: The Case Examples of Cs2{(UO2)4[Co(H2O)2]2(HPO4)(PO4)4} and Cs3+x[(UO2)3CuH4-x(PO4)5]·H2O","Inorganic Chemistry","2006","45","5","1900","1902","10.1021/ic051922b","","","0.71073","MoKα","","0.044","0.0354","","","0.0813","0.0835","","","","","","1.053","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331941","10.6234","0.0005","15.6706","0.0007","17.3629","0.0008","88.315","0.001","72.927","0.001","72.861","0.001","2635.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H50 N Ni P3 S3 Se -","- C61 H50 N Ni P3 S3 Se -","- C122 H100 N2 Ni2 P6 S6 Se2 -","2","1","","Chen, Chien-Hong; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear [NiII(L)(P-(o-C6H4S)2(o-C6H4SH))]0/1-(L = Thiolate, Selenolate, PPh3, and Cl) Complexes with Intramolecular [Ni···S···H···S]/[Ni···H···S] Interactions Modulated by the Coordinated Ligand L: Relevance to the [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","5","2307","2316","10.1021/ic051924w","","","0.71073","MoKα","","0.0397","0.0309","","","0.0729","0.0753","","","","","","1.003","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331942","21.4076","0.0004","8.9272","0.0002","20.0007","0.0004","90","","107.67","0.001","90","","3641.99","0.13","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Ni O P2 S3 -","- C40 H36 Ni O P2 S3 -","- C160 H144 Ni4 O4 P8 S12 -","4","1","","Chen, Chien-Hong; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear [NiII(L)(P-(o-C6H4S)2(o-C6H4SH))]0/1-(L = Thiolate, Selenolate, PPh3, and Cl) Complexes with Intramolecular [Ni···S···H···S]/[Ni···H···S] Interactions Modulated by the Coordinated Ligand L: Relevance to the [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","5","2307","2316","10.1021/ic051924w","","","0.71073","MoKα","","0.0931","0.0494","","","0.1356","0.1554","","","","","","1.019","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331943","9.5103","0.0002","12.4209","0.0002","14.1597","0.0002","94.751","0.0011","91.6012","0.001","109.896","0.0008","1564.58","0.05","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Ni P2 S3 -","- C36 H28 Ni P2 S3 -","- C72 H56 Ni2 P4 S6 -","2","1","","Chen, Chien-Hong; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear [NiII(L)(P-(o-C6H4S)2(o-C6H4SH))]0/1-(L = Thiolate, Selenolate, PPh3, and Cl) Complexes with Intramolecular [Ni···S···H···S]/[Ni···H···S] Interactions Modulated by the Coordinated Ligand L: Relevance to the [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","5","2307","2316","10.1021/ic051924w","","","0.71073","MoKα","","0.0523","0.0345","","","0.0826","0.0892","","","","","","1.043","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331944","22.5507","0.0003","9.6175","0.0002","30.1274","0.0004","90","","91.0193","0.0008","90","","6533.04","0.18","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36.5 H28 Cl Ni P2 S3 -","- C36.5 H28 Cl Ni P2 S3 -","- C292 H224 Cl8 Ni8 P16 S24 -","8","1","","Chen, Chien-Hong; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear [NiII(L)(P-(o-C6H4S)2(o-C6H4SH))]0/1-(L = Thiolate, Selenolate, PPh3, and Cl) Complexes with Intramolecular [Ni···S···H···S]/[Ni···H···S] Interactions Modulated by the Coordinated Ligand L: Relevance to the [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","5","2307","2316","10.1021/ic051924w","","","0.71073","MoKα","","0.0921","0.0547","","","0.1512","0.1686","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331945","11.8228","0.0004","30.7222","0.001","16.8506","0.0005","90","","96.216","0.001","90","","6084.5","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H60 N2 Ni P4 S3 -","- C74 H60 N2 Ni P4 S3 -","- C296 H240 N8 Ni4 P16 S12 -","4","1","","Chen, Chien-Hong; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear [NiII(L)(P-(o-C6H4S)2(o-C6H4SH))]0/1-(L = Thiolate, Selenolate, PPh3, and Cl) Complexes with Intramolecular [Ni···S···H···S]/[Ni···H···S] Interactions Modulated by the Coordinated Ligand L: Relevance to the [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","5","2307","2316","10.1021/ic051924w","","","0.71073","MoKα","","0.0718","0.055","","","0.1209","0.1327","","","","","","1.036","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331946","10.6682","0.0004","15.8425","0.0006","17.11","0.0006","86.0808","0.0008","73.0189","0.0008","75.8094","0.0008","2681.29","0.17","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C60 H47 Cl N Ni P3 S3 Se -","- C60 H47 Cl N Ni P3 S3 Se -","- C120 H94 Cl2 N2 Ni2 P6 S6 Se2 -","2","1","","Chen, Chien-Hong; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear [NiII(L)(P-(o-C6H4S)2(o-C6H4SH))]0/1-(L = Thiolate, Selenolate, PPh3, and Cl) Complexes with Intramolecular [Ni···S···H···S]/[Ni···H···S] Interactions Modulated by the Coordinated Ligand L: Relevance to the [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","5","2307","2316","10.1021/ic051924w","","","0.71073","MoKα","","0.0386","0.0317","","","0.0814","0.0888","","","","","","1.056","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331947","10.5815","0.0004","15.4388","0.0006","16.9473","0.0007","86.938","0.001","72.741","0.001","74.643","0.001","2548.59","0.17","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C55 H45 Cl3 N Ni P3 S3 -","- C55 H45 Cl3 N Ni P3 S3 -","- C110 H90 Cl6 N2 Ni2 P6 S6 -","2","1","","Chen, Chien-Hong; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear [NiII(L)(P-(o-C6H4S)2(o-C6H4SH))]0/1-(L = Thiolate, Selenolate, PPh3, and Cl) Complexes with Intramolecular [Ni···S···H···S]/[Ni···H···S] Interactions Modulated by the Coordinated Ligand L: Relevance to the [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","5","2307","2316","10.1021/ic051924w","","","0.71073","MoKα","","0.0601","0.0535","","","0.1273","0.132","","","","","","1.114","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331948","9.4937","0.0006","13.1437","0.0008","17.0184","0.0011","98.664","0.001","104.792","0.002","90.601","0.001","2027.1","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H46 Ni O2 P2 S3 -","- C45 H46 Ni O2 P2 S3 -","- C90 H92 Ni2 O4 P4 S6 -","2","1","","Chen, Chien-Hong; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear [NiII(L)(P-(o-C6H4S)2(o-C6H4SH))]0/1-(L = Thiolate, Selenolate, PPh3, and Cl) Complexes with Intramolecular [Ni···S···H···S]/[Ni···H···S] Interactions Modulated by the Coordinated Ligand L: Relevance to the [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","5","2307","2316","10.1021/ic051924w","","","0.71073","MoKα","","0.087","0.0651","","","0.1533","0.1671","","","","","","1.061","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331949","9.4068","0.0001","14.9187","0.0002","15.5337","0.0002","62.6687","0.0008","84.1265","0.001","81.7107","0.0009","1914.75","0.04","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C41.8 H40.2 Ni O1.5 P2 S3 -","- C41.8 H40.2 Ni O1.5 P2 S3 -","- C83.6 H80.4 Ni2 O3 P4 S6 -","2","1","","Chen, Chien-Hong; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear [NiII(L)(P-(o-C6H4S)2(o-C6H4SH))]0/1-(L = Thiolate, Selenolate, PPh3, and Cl) Complexes with Intramolecular [Ni···S···H···S]/[Ni···H···S] Interactions Modulated by the Coordinated Ligand L: Relevance to the [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","5","2307","2316","10.1021/ic051924w","","","0.71073","MoKα","","0.0772","0.0536","","","0.153","0.1721","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331950","10.5886","0.0006","15.64","0.0009","17.3377","0.0009","88.472","0.001","72.762","0.001","73.307","0.001","2621.3","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C61 H50 N Ni P3 S4 -","- C61 H50 N Ni P3 S4 -","- C122 H100 N2 Ni2 P6 S8 -","2","1","","Chen, Chien-Hong; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear [NiII(L)(P-(o-C6H4S)2(o-C6H4SH))]0/1-(L = Thiolate, Selenolate, PPh3, and Cl) Complexes with Intramolecular [Ni···S···H···S]/[Ni···H···S] Interactions Modulated by the Coordinated Ligand L: Relevance to the [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","5","2307","2316","10.1021/ic051924w","","","0.71073","MoKα","","0.0659","0.0503","","","0.1177","0.1306","","","","","","1.085","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331951","17.13","0.005","10.123","0.003","11.669","0.004","90","","101.743","0.007","90","","1981.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 N5 O5 Pt Tl -","- C10 H26 N5 O5 Pt Tl -","- C40 H104 N20 O20 Pt4 Tl4 -","4","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.0876","0.041","","","0.0698","0.0796","","","","","","0.818","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331952","10.234","0.005","11.654","0.006","34.629","0.018","90","","90","","90","","4130","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C10 H26 Cl N4 O6 Pt Tl -","- C10 H26 Cl N4 O6 Pt Tl -","- C80 H208 Cl8 N32 O48 Pt8 Tl8 -","8","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.1219","0.0915","","","0.1597","0.1886","","","","","","1.015","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331953","11.3972","0.0018","11.3972","0.0018","30.955","0.009","90","","90","","120","","3482.2","1.3","153","2","153","2","","","","","","","","8","P 31","P 31","144","","","","- C23 H60 F12 N8 O6 P2 Pt2 Tl2 -","- C23 H60 F12 N8 O6 P2 Pt2 Tl2 -","- C69 H180 F36 N24 O18 P6 Pt6 Tl6 -","3","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.0335","0.0304","","","0.0645","0.0654","","","","","","1.005","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331954","11.344","0.005","11.344","0.005","30.27","0.03","90","","90","","120","","3373","4","293","2","293","2","","","","","","","","7","P 31","P 31","144","","","","- C22 H60 Cl2 N8 O14 Pt2 Tl2 -","- C22 H57 Cl2 N8 O14 Pt2 Tl2 -","- C66 H171 Cl6 N24 O42 Pt6 Tl6 -","3","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.0695","0.0669","","","0.1748","0.1773","","","","","","1.042","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331955","11.355","0.005","18.429","0.009","23.308","0.011","90","","93.902","0.009","90","","4866","4","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H64 F12 N8 O6 P2 Pt2 Tl2 -","- C26 H64 F12 N8 O6 P2 Pt2 Tl2 -","- C104 H256 F48 N32 O24 P8 Pt8 Tl8 -","4","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.0614","0.0339","","","0.0831","0.0926","","","","","","1.027","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331956","16.269","0.008","26.346","0.012","16.353","0.008","90","","99.651","0.009","90","","6910","6","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H108 N13 O12 Pt3 Tl -","- C48 H106 N13 O12 Pt3 Tl -","- C192 H424 N52 O48 Pt12 Tl4 -","4","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.1032","0.0816","","","0.1756","0.1822","","","","","","1.293","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331957","11.34","0.004","18.197","0.007","12.859","0.005","90","","100.336","0.007","90","","2610.4","1.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H71 Cl2 N8 O12.5 Pt2 Tl2 -","- C33 H71 Cl2 N8 O12.5 Pt2 Tl2 -","- C66 H142 Cl4 N16 O25 Pt4 Tl4 -","2","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.0403","0.0371","","","0.0939","0.0952","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331958","11.291","0.002","17.955","0.004","12.984","0.003","90","","102.386","0.004","90","","2571","0.9","123","2","123","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C32 H68 F12 N8 O4 P2 Pt2 Tl2 -","- C32 H68 F12 N8 O4 P2 Pt2 Tl2 -","- C64 H136 F24 N16 O8 P4 Pt4 Tl4 -","2","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.0366","0.0318","","","0.0749","0.0767","","","","","","1.009","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331959","9.697","0.005","21.176","0.012","9.896","0.005","90","","107.115","0.009","90","","1942.1","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H46 N10 O11 Pt2 Tl2 -","- C20 H44 N10 O11 Pt2 Tl2 -","- C40 H88 N20 O22 Pt4 Tl4 -","2","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.0488","0.0432","","","0.1282","0.132","","","","","","1.055","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331960","11.83","0.007","21.66","0.012","12.683","0.007","90","","103.34","0.01","90","","3162","3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H90 Fe N8 O15 Pt2 Tl2 -","- C44 H76 Fe N8 O15 Pt2 Tl2 -","- C88 H152 Fe2 N16 O30 Pt4 Tl4 -","2","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.1234","0.069","","","0.1507","0.1727","","","","","","0.937","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331961","9.7716","0.0009","9.8378","0.0007","11.9907","0.0012","90","","90.77","0.008","90","","1152.57","0.18","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H20 Cu N4 O12 S2 -","- C20 H20 Cu N4 O12 S2 -","- C40 H40 Cu2 N8 O24 S4 -","2","0.5","","González Mantero, Déborah; Neels, Antonia; Stoeckli-Evans, Helen","Novel 3D, 2D, and 0D First-Row Coordination Compounds with 4,4‘-Bipyridine-N,N‘-dioxide Incorporating Sulfur-Containing Anions","Inorganic Chemistry","2006","45","8","3287","3294","10.1021/ic051934x","","","0.71073","MoKα","","0.0308","0.0271","","","0.0659","0.0674","","","","","","1.071","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331962","20.681","0.004","14.1352","0.0017","19.564","0.004","90","","107.482","0.015","90","","5455","1.7","253","2","253","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H66 Co N6 O19 S2 -","- C30 H24 Co N6 O12 S2 -","- C120 H96 Co4 N24 O48 S8 -","4","0.5","","González Mantero, Déborah; Neels, Antonia; Stoeckli-Evans, Helen","Novel 3D, 2D, and 0D First-Row Coordination Compounds with 4,4‘-Bipyridine-N,N‘-dioxide Incorporating Sulfur-Containing Anions","Inorganic Chemistry","2006","45","8","3287","3294","10.1021/ic051934x","","","0.71073","MoKα","","0.117","0.0561","","","0.12","0.1346","","","","","","0.77","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331963","20.828","0.005","13.499","0.004","20.02","0.005","90","","106.179","0.019","90","","5406","3","253","2","253","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H66 N6 Ni O19 S2 -","- C30 H24 N6 Ni O12 S2 -","- C120 H96 N24 Ni4 O48 S8 -","4","0.5","","González Mantero, Déborah; Neels, Antonia; Stoeckli-Evans, Helen","Novel 3D, 2D, and 0D First-Row Coordination Compounds with 4,4‘-Bipyridine-N,N‘-dioxide Incorporating Sulfur-Containing Anions","Inorganic Chemistry","2006","45","8","3287","3294","10.1021/ic051934x","","","0.71073","MoKα","","0.2985","0.1496","","","0.314","0.3693","","","","","","0.765","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331964","7.137","0.001","25.432","0.002","10.226","0.001","90","","92.59","0.01","90","","1854.2","0.3","253","2","253","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Co N2 O13 S -","- C10 H22 Co N2 O13 S -","- C40 H88 Co4 N8 O52 S4 -","4","1","","González Mantero, Déborah; Neels, Antonia; Stoeckli-Evans, Helen","Novel 3D, 2D, and 0D First-Row Coordination Compounds with 4,4‘-Bipyridine-N,N‘-dioxide Incorporating Sulfur-Containing Anions","Inorganic Chemistry","2006","45","8","3287","3294","10.1021/ic051934x","","","0.71073","MoKα","","0.0425","0.0332","","","0.0782","0.0813","","","","","","1.025","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331965","7.138","0.0008","25.244","0.003","10.2106","0.0012","90","","92.173","0.009","90","","1838.5","0.4","253","2","253","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 N2 Ni O13 S -","- C10 H22 N2 Ni O13 S -","- C40 H88 N8 Ni4 O52 S4 -","4","1","","González Mantero, Déborah; Neels, Antonia; Stoeckli-Evans, Helen","Novel 3D, 2D, and 0D First-Row Coordination Compounds with 4,4‘-Bipyridine-N,N‘-dioxide Incorporating Sulfur-Containing Anions","Inorganic Chemistry","2006","45","8","3287","3294","10.1021/ic051934x","","","0.71073","MoKα","","0.0391","0.0314","","","0.0861","0.0888","","","","","","1.042","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331966","7.1713","0.0003","14.2753","0.0005","14.0175","0.0006","90","","93.449","0.002","90","","1432.41","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 N2 S2 -","- C7 H3 N2 S2 -","- C56 H24 N16 S16 -","8","2","","Alberola, Antonio; Collis, Rebecca J.; Humphrey, Simon M.; Less, Robert J.; Rawson, Jeremy M.","Spin Transitions in a Dithiazolyl Radical: Preparation, Crystal Structures, and Magnetic Properties of 3-Cyanobenzo-1,3,2-dithiazolyl, C7H3S2N2•","Inorganic Chemistry","2006","45","5","1903","1905","10.1021/ic051935p","","","0.71073","MoKα","","0.0615","0.0426","","","0.0902","0.096","","","","","","1.082","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331967","3.6651","0.0004","14.3329","0.0013","14.0592","0.0018","90","","94.135","0.004","90","","736.63","0.14","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 N2 S2 -","- C7 H3 N2 S2 -","- C28 H12 N8 S8 -","4","1","","Alberola, Antonio; Collis, Rebecca J.; Humphrey, Simon M.; Less, Robert J.; Rawson, Jeremy M.","Spin Transitions in a Dithiazolyl Radical: Preparation, Crystal Structures, and Magnetic Properties of 3-Cyanobenzo-1,3,2-dithiazolyl, C7H3S2N2•","Inorganic Chemistry","2006","45","5","1903","1905","10.1021/ic051935p","","","0.71073","MoKα","","0.0907","0.0617","","","0.1255","0.1356","","","","","","1.144","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331968","11.0093","0.0007","21.946","0.002","15.1748","0.0018","90","","91.245","0.008","90","","3665.5","0.6","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H44 N2 O22 S3 W5 Zr -","- C14 N2 O22 S3 W5 Zr -","- C56 N8 O88 S12 W20 Zr4 -","4","1","","Carabineiro, Hugo; Villanneau, Richard; Carrier, Xavier; Herson, Patrick; Lemos, Francisco; Ramôa Ribeiro, Fernando; Proust, Anna; Che, Michel","Zirconium-Substituted Isopolytungstates: Structural Models for Zirconia-Supported Tungsten Catalysts","Inorganic Chemistry","2006","45","5","1915","1923","10.1021/ic051941l","","","0.71073","MoKα","","0.0907","0.0368","","0.0609","0.0402","0.0402","","","","","","1.0912","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331969","14.8962","0.0014","10.8357","0.0006","21.9071","0.0017","90","","101.337","0.006","90","","3467","0.5","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H42 N2 O23 S2 W5 Zr -","- C12 N2 O23 S2 W5 Zr -","- C48 N8 O92 S8 W20 Zr4 -","4","1","","Carabineiro, Hugo; Villanneau, Richard; Carrier, Xavier; Herson, Patrick; Lemos, Francisco; Ramôa Ribeiro, Fernando; Proust, Anna; Che, Michel","Zirconium-Substituted Isopolytungstates: Structural Models for Zirconia-Supported Tungsten Catalysts","Inorganic Chemistry","2006","45","5","1915","1923","10.1021/ic051941l","","","0.71073","MoKα","","0.0592","0.0274","","0.0428","0.0285","0.0285","","","","","","1.0657","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331970","13.21","0.008","13.87","0.01","17.04","0.01","105.79","0.02","96.72","0.02","116.69","0.02","2578","3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H88 Fe6 N10 O28 -","- C100 H70 Fe6 N10 O28 -","- C100 H70 Fe6 N10 O28 -","1","0.5","","Raptopoulou, Catherine P.; Boudalis, Athanassios K.; Sanakis, Yiannis; Psycharis, Vassilis; Clemente-Juan, Juan Modesto; Fardis, Michael; Diamantopoulos, George; Papavassiliou, George","Hexanuclear Iron(III) Salicylaldoximato Complexes Presenting the [Fe6(μ3-O)2(μ2-OR)2]12+Core: Syntheses, Crystal Structures, and Spectroscopic and Magnetic Characterization","Inorganic Chemistry","2006","45","5","2317","2326","10.1021/ic051945q","","","0.71073","MoKα","","0.0987","0.0718","","","0.1876","0.2161","","","","","","1.027","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331971","21.81","0.01","17.93","0.01","27.72","0.01","90","","111.7","0.02","90","","10072","8","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H76 Fe6 N4 O31 -","- C88 H60 Fe6 N4 O31 -","- C352 H240 Fe24 N16 O124 -","4","0.5","","Raptopoulou, Catherine P.; Boudalis, Athanassios K.; Sanakis, Yiannis; Psycharis, Vassilis; Clemente-Juan, Juan Modesto; Fardis, Michael; Diamantopoulos, George; Papavassiliou, George","Hexanuclear Iron(III) Salicylaldoximato Complexes Presenting the [Fe6(μ3-O)2(μ2-OR)2]12+Core: Syntheses, Crystal Structures, and Spectroscopic and Magnetic Characterization","Inorganic Chemistry","2006","45","5","2317","2326","10.1021/ic051945q","","","0.71073","MoKα","","0.1451","0.0726","","","0.1759","0.2175","","","","","","1.051","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331972","10.5184","0.0007","10.5191","0.0008","15.6108","0.0011","81.007","0.002","79.76","0.002","87.933","0.002","1678.8","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O8 Rh2 -","- C34 H28 N2 O8 Rh2 -","- C68 H56 N4 O16 Rh4 -","2","1","","Takamizawa, Satoshi; Kojima, Kenichi; Akatsuka, Takamasa","Channel-Switching Crystal with Guest Stress Drive","Inorganic Chemistry","2006","45","12","4580","4582","10.1021/ic051952e","","","0.71073","MoKα","","0.0819","0.0507","","","0.1069","0.1394","","","","","","1.093","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331973","10.2833","0.001","10.4707","0.001","15.57","0.0015","79.133","0.002","81.323","0.002","86.287","0.002","1626.4","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O8 Rh2 -","- C34 H28 N2 O8 Rh2 -","- C68 H56 N4 O16 Rh4 -","2","1","","Takamizawa, Satoshi; Kojima, Kenichi; Akatsuka, Takamasa","Channel-Switching Crystal with Guest Stress Drive","Inorganic Chemistry","2006","45","12","4580","4582","10.1021/ic051952e","","","0.71073","MoKα","","0.0742","0.051","","","0.1058","0.128","","","","","","1.067","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331974","10.5231","0.001","10.5597","0.0011","15.6019","0.0014","81.092","0.002","79.994","0.002","88.246","0.002","1686.7","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C34.08 H28 N2 O8.15 Rh2 -","- C34.075 H28 N2 O8.15 Rh2 -","- C68.15 H56 N4 O16.3 Rh4 -","2","1","","Takamizawa, Satoshi; Kojima, Kenichi; Akatsuka, Takamasa","Channel-Switching Crystal with Guest Stress Drive","Inorganic Chemistry","2006","45","12","4580","4582","10.1021/ic051952e","","","0.71073","MoKα","","0.0772","0.0457","","","0.0994","0.1172","","","","","","1.014","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331975","9.607","0.003","10.321","0.003","11.53","0.004","67.522","0.006","65.428","0.005","63.319","0.005","901.7","0.5","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 N2 O14 Rh2 -","- C37 H27 N2 O14 Rh2 -","- C37 H27 N2 O14 Rh2 -","1","0.5","","Takamizawa, Satoshi; Kojima, Kenichi; Akatsuka, Takamasa","Channel-Switching Crystal with Guest Stress Drive","Inorganic Chemistry","2006","45","12","4580","4582","10.1021/ic051952e","","","0.71073","MoKα","","0.1681","0.0885","","","0.204","0.2528","","","","","","0.984","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331976","10.6523","0.0014","10.9229","0.0014","15.285","0.002","87.514","0.002","85.987","0.002","84.216","0.002","1763.9","0.4","118","1","118","1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H35 Fe N5 O -","- C46 H35 Fe N5 O -","- C92 H70 Fe2 N10 O2 -","2","1","","Joseph, Crisjoe A.; Lee, Matthew S.; Iretskii, Alexei V.; Wu, Guang; Ford, Peter C.","Substituent Effects on Nitrosyl Iron Corrole Complexes Fe(Ar3C)(NO)","Inorganic Chemistry","2006","45","5","2075","2082","10.1021/ic051956j","","","0.71073","MoKα","","0.0612","0.0431","","","0.1105","0.119","","","","","","1.036","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331977","10.547","0.004","11.047","0.005","15.916","0.007","101.196","0.007","92.972","0.007","90.164","0.007","1816.5","1.3","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H35 Fe N5 O4 -","- C46 H35 Fe N5 O4 -","- C92 H70 Fe2 N10 O8 -","2","1","","Joseph, Crisjoe A.; Lee, Matthew S.; Iretskii, Alexei V.; Wu, Guang; Ford, Peter C.","Substituent Effects on Nitrosyl Iron Corrole Complexes Fe(Ar3C)(NO)","Inorganic Chemistry","2006","45","5","2075","2082","10.1021/ic051956j","","","0.71073","MoKα","","0.1484","0.0708","","","0.1289","0.1461","","","","","","1.11","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331978","14.637","0.0001","9.1587","0.0001","19.1888","0.0002","90","","108.017","0.0003","90","","2446.23","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Br N5 Pd -","- C27 H28 Br N5 Pd -","- C108 H112 Br4 N20 Pd4 -","4","1","","Gagliardo, Marcella; Rodríguez, Gema; Dam, Henk H.; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; Coppo, Paolo; De Cola, Luisa; Hartl, František; van Klink, Gerard P. M.; van Koten, Gerard","A Novel Heteroditopic Terpyridine-Pincer Ligand as Building Block for Mono- and Heterometallic Pd(II) and Ru(II) Complexes","Inorganic Chemistry","2006","45","5","2143","2155","10.1021/ic051967c","","","0.71073","MoKα","","0.0334","0.027","","","0.0704","0.0731","","","","","","1.059","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331979","11.1057","0.0002","14.4557","0.0002","20.2558","0.0004","88.9444","0.0006","84.747","0.0005","68.7656","0.0006","3017.99","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54.8 H57.2 Br2 F12 N10.4 P2 Ru -","- C54.8 H57.2 Br2 F12 N10.4 P2 Ru -","- C109.6 H114.4 Br4 F24 N20.8 P4 Ru2 -","2","1","","Gagliardo, Marcella; Rodríguez, Gema; Dam, Henk H.; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; Coppo, Paolo; De Cola, Luisa; Hartl, František; van Klink, Gerard P. M.; van Koten, Gerard","A Novel Heteroditopic Terpyridine-Pincer Ligand as Building Block for Mono- and Heterometallic Pd(II) and Ru(II) Complexes","Inorganic Chemistry","2006","45","5","2143","2155","10.1021/ic051967c","","","0.71073","MoKα","","0.077","0.0626","","","0.1736","0.1847","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331980","11.2473","0.0006","14.3006","0.0008","16.423","0.001","99.379","0.001","97","0.001","103.366","0.001","2500.4","0.2","243","2","243","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H55 B Ir N8 O P S3 -","- C44 H55 B Ir N8 O P S3 -","- C88 H110 B2 Ir2 N16 O2 P2 S6 -","2","1","","Landry, Victoria K.; Melnick, Jonathan G.; Buccella, Daniela; Pang, Keliang; Ulichny, Joseph C.; Parkin, Gerard","Synthesis and Structural Characterization of [κ3-B,S,S-B(mimR)3]Ir(CO)(PPh3)H (R = But, Ph) and [κ4-B(mimBut)3]M(PPh3)Cl (M = Rh, Ir): Analysis of the Bonding in Metal Borane Compounds","Inorganic Chemistry","2006","45","6","2588","2597","10.1021/ic051975t","","","0.71073","MoKα","","0.0328","0.0295","","","0.0815","0.0833","","","","","","1.078","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331981","6.879","0.002","21.636","0.007","11.043","0.003","90","","95.128","0.005","90","","1637","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H42 N4 O24 V3 -","- C18 H42 N4 O24 V3 -","- C36 H84 N8 O48 V6 -","2","0.5","","Shi, Wei; Chen, Xiao-Yan; Zhao, Bin; Yu, Ao; Song, Hai-Bin; Cheng, Peng; Wang, Hong-Gen; Liao, Dai-Zheng; Yan, Shi-Ping","Construction of 3d−4f Mixed-Metal Complexes Based on a Binuclear Oxovanadium Unit: Synthesis, Crystal Structure, EPR, and Magnetic Properties","Inorganic Chemistry","2006","45","10","3949","3957","10.1021/ic051979y","","","0.71073","MoKα","","0.0764","0.0474","","","0.0862","0.0945","","","","","","1.077","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331982","13.799","0.003","14.07","0.003","14.693","0.003","61.892","0.002","83.132","0.003","89.212","0.002","2495.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H66 Ce N6 O36 V3 -","- C27 H62 Ce N6 O36 V3 -","- C54 H124 Ce2 N12 O72 V6 -","2","1","","Shi, Wei; Chen, Xiao-Yan; Zhao, Bin; Yu, Ao; Song, Hai-Bin; Cheng, Peng; Wang, Hong-Gen; Liao, Dai-Zheng; Yan, Shi-Ping","Construction of 3d−4f Mixed-Metal Complexes Based on a Binuclear Oxovanadium Unit: Synthesis, Crystal Structure, EPR, and Magnetic Properties","Inorganic Chemistry","2006","45","10","3949","3957","10.1021/ic051979y","","","0.71073","MoKα","","0.0486","0.0365","","","0.1023","0.1076","","","","","","1.07","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331983","19.811","0.007","20.204","0.007","26.788","0.01","90","","98.402","0.005","90","","10607","7","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H70 N6 O38 Pr V3 -","- C27 H48 N6 O37.75 Pr V3 -","- C216 H384 N48 O302 Pr8 V24 -","8","1","","Shi, Wei; Chen, Xiao-Yan; Zhao, Bin; Yu, Ao; Song, Hai-Bin; Cheng, Peng; Wang, Hong-Gen; Liao, Dai-Zheng; Yan, Shi-Ping","Construction of 3d−4f Mixed-Metal Complexes Based on a Binuclear Oxovanadium Unit: Synthesis, Crystal Structure, EPR, and Magnetic Properties","Inorganic Chemistry","2006","45","10","3949","3957","10.1021/ic051979y","","","0.71073","MoKα","","0.0677","0.0447","","","0.1087","0.1173","","","","","","1.074","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331984","19.808","0.005","20.178","0.005","26.795","0.007","90","","98.562","0.004","90","","10590","5","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H70 N6 Nd O38 V3 -","- C27 H48 N6 Nd O38 V3 -","- C216 H384 N48 Nd8 O304 V24 -","8","1","","Shi, Wei; Chen, Xiao-Yan; Zhao, Bin; Yu, Ao; Song, Hai-Bin; Cheng, Peng; Wang, Hong-Gen; Liao, Dai-Zheng; Yan, Shi-Ping","Construction of 3d−4f Mixed-Metal Complexes Based on a Binuclear Oxovanadium Unit: Synthesis, Crystal Structure, EPR, and Magnetic Properties","Inorganic Chemistry","2006","45","10","3949","3957","10.1021/ic051979y","","","0.71073","MoKα","","0.0791","0.0437","","","0.1202","0.1419","","","","","","1.001","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331985","7.4914","0.0005","9.9397","0.0007","17.3805","0.0012","90","","90","","90","","1294.19","0.15","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H3 Cl0.5 Co N4.5 -","- C3 H3 Cl0.5 Co N4.5 -","- C24 H24 Cl4 Co8 N36 -","8","1","","Ouellette, Wayne; Galán-Mascarós, José R.; Dunbar, Kim R.; Zubieta, Jon","Hydrothermal Synthesis and Structure of a Three-Dimensional Cobalt(II) Triazolate Magnet","Inorganic Chemistry","2006","45","5","1909","1911","10.1021/ic051992i","","x-ray","0.71073","MoKα","","0.0334","0.0293","","","0.0681","0.0699","","","","","","1.128","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331986","9.2107","0.0002","8.1173","0.0002","18.1332","0.0004","90","","100.502","0.001","90","","1333.04","0.05","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Hg2 I2 N2 S2 -","- C4 H12 Hg2 I2 N2 S2 -","- C16 H48 Hg8 I8 N8 S8 -","4","1","","Bharara, Mohan S.; Parkin, Sean; Atwood, David A.","Solution and Solid-State Study of Heteroleptic Hg(II)-Thiolates: Crystal Structures of [Hg4I4(SCH2CH2NH2)4] and [Hg4I8(SCH2CH2NH3)2]n·nH2O","Inorganic Chemistry","2006","45","5","2112","2118","10.1021/ic051993a","","","0.71073","MoKα","","0.0366","0.0248","","","0.0427","0.0455","","","","","","1.086","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331987","29.602","0.006","7.2524","0.0015","13.346","0.003","90","","90","","90","","2865.2","1.1","90","0.2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C2 H7 Hg2 I4 N O S -","- C2 H7 Hg2 I4 N O S -","- C16 H56 Hg16 I32 N8 O8 S8 -","8","2","","Bharara, Mohan S.; Parkin, Sean; Atwood, David A.","Solution and Solid-State Study of Heteroleptic Hg(II)-Thiolates: Crystal Structures of [Hg4I4(SCH2CH2NH2)4] and [Hg4I8(SCH2CH2NH3)2]n·nH2O","Inorganic Chemistry","2006","45","5","2112","2118","10.1021/ic051993a","","","0.71073","MoKα","","0.058","0.0494","","","0.117","0.1223","","","","","","1.011","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331988","12.8145","0.0003","14.1021","0.0004","15.8709","0.0004","115.896","0.002","104.918","0.002","95.854","0.002","2416.06","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H62 Cl6 Cu6 N18 S6 -","- C92 H62 Cl6 Cu6 N18 S6 -","- C92 H62 Cl6 Cu6 N18 S6 -","1","0.5","","López-Torres, Elena; Mendiola, M. Antonia; Pastor, César J.","Crystal Structures of Triazine-3-thione Derivatives by Reaction with Copper and Cobalt Salts","Inorganic Chemistry","2006","45","7","3103","3112","10.1021/ic052009d","","","1.54178","CuKα","","0.0668","0.0464","","","0.108","0.1166","","","","","","0.935","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331989","18.4406","0.0003","20.4177","0.0003","23.5628","0.0003","90","","90","","90","","8871.7","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H30 Co N9 S6 -","- C45 H30 Co N9 S6 -","- C360 H240 Co8 N72 S48 -","8","1","","López-Torres, Elena; Mendiola, M. Antonia; Pastor, César J.","Crystal Structures of Triazine-3-thione Derivatives by Reaction with Copper and Cobalt Salts","Inorganic Chemistry","2006","45","7","3103","3112","10.1021/ic052009d","","","1.54178","CuKα","","0.0584","0.0455","","","0.1206","0.1297","","","","","","1.028","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331990","5.854","0.0001","11.5205","0.0003","19.515","0.0004","95.712","0.001","93.817","0.002","101.781","0.002","1276.88","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 N6 S2 -","- C30 H20 N6 S2 -","- C60 H40 N12 S4 -","2","1","","López-Torres, Elena; Mendiola, M. Antonia; Pastor, César J.","Crystal Structures of Triazine-3-thione Derivatives by Reaction with Copper and Cobalt Salts","Inorganic Chemistry","2006","45","7","3103","3112","10.1021/ic052009d","","","1.54178","CuKα","","0.0748","0.0626","","","0.1716","0.184","","","","","","1.042","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331991","10.2013","0.0001","15.1855","0.0002","25.951","0.0003","77.88","0.001","87.437","0.001","76.857","0.001","3827.53","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28.67 Mg N2 O16.33 S2 -","- C16 H28 Mg N2 O16.3333 S2 -","- C96 H168 Mg6 N12 O98 S12 -","6","3","","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; Whyte, Lynda","Supramolecuar Motifs in s-Block Metal-Bound Sulfonated Monoazo Dyes: The Case of Orange G","Inorganic Chemistry","2006","45","7","2965","2971","10.1021/ic0520115","","","0.71073","MoKα","","0.0773","0.0462","","","0.0987","0.1121","","","","","","1.033","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331992","8.8032","0.0002","28.2796","0.0007","10.3462","0.0002","90","","102.552","0.001","90","","2514.14","0.1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 N2 O15 S2 Sr -","- C16 H26 N2 O15 S2 Sr -","- C64 H104 N8 O60 S8 Sr4 -","4","1","","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; Whyte, Lynda","Supramolecuar Motifs in s-Block Metal-Bound Sulfonated Monoazo Dyes: The Case of Orange G","Inorganic Chemistry","2006","45","7","2965","2971","10.1021/ic0520115","","","0.71073","MoKα","","0.0569","0.0385","","","0.0875","0.0961","","","","","","1.028","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331993","8.6114","0.0007","11.0894","0.0011","14.6066","0.0015","74.033","0.005","78.275","0.005","69.825","0.006","1249.7","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H52 Ba2 N4 O30 S4 -","- C32 H52 Ba2 N4 O30 S4 -","- C32 H52 Ba2 N4 O30 S4 -","1","0.5","","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; Whyte, Lynda","Supramolecuar Motifs in s-Block Metal-Bound Sulfonated Monoazo Dyes: The Case of Orange G","Inorganic Chemistry","2006","45","7","2965","2971","10.1021/ic0520115","","","0.71073","MoKα","","0.082","0.0494","","","0.0887","0.1015","","","","","","1.025","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331994","8.9","0.0003","10.4701","0.0004","13.7349","0.0007","73.488","0.002","79.289","0.002","69.499","0.002","1144.05","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23.33 N2 Na2 O13.66 S2 -","- C16 H18 N2 Na1.99 O13.64 S2 -","- C32 H36 N4 Na3.98 O27.28 S4 -","2","1","","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; Whyte, Lynda","Supramolecuar Motifs in s-Block Metal-Bound Sulfonated Monoazo Dyes: The Case of Orange G","Inorganic Chemistry","2006","45","7","2965","2971","10.1021/ic0520115","","","0.71073","MoKα","","0.0571","0.0452","","","0.1179","0.1275","","","","","","1.089","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331995","9.5614","0.0006","11.4554","0.001","20.533","0.0018","90","","93.417","0.002","90","","2245","0.3","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H20 N2 Na2 O10 S2 -","- C18 H20 N2 Na2 O10 S2 -","- C72 H80 N8 Na8 O40 S8 -","4","1","","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; Whyte, Lynda","Supramolecuar Motifs in s-Block Metal-Bound Sulfonated Monoazo Dyes: The Case of Orange G","Inorganic Chemistry","2006","45","7","2965","2971","10.1021/ic0520115","","","0.71073","MoKα","","0.0593","0.0362","","","0.0792","0.0884","","","","","","0.981","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331996","8.9908","0.0006","10.4007","0.0008","14.9963","0.0012","83.349","0.003","85.054","0.005","70.227","0.005","1309.09","0.17","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H25.5 K1.2 N2 Na0.8 O14.75 S2 -","- C16 H14 K1.195 N2 Na0.805 O14.75 S2 -","- C32 H28 K2.39 N4 Na1.61 O29.5 S4 -","2","1","","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; Whyte, Lynda","Supramolecuar Motifs in s-Block Metal-Bound Sulfonated Monoazo Dyes: The Case of Orange G","Inorganic Chemistry","2006","45","7","2965","2971","10.1021/ic0520115","","","0.71073","MoKα","","0.1129","0.0973","","","0.2456","0.2551","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331997","9.0253","0.0003","10.6535","0.0004","15.077","0.0006","82.303","0.002","84.922","0.002","69.386","0.002","1343.29","0.09","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H27.75 N2 Na O15.88 Rb S2 -","- C16 H18 N2 Na O15.875 Rb S2 -","- C32 H36 N4 Na2 O31.75 Rb2 S4 -","2","1","","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; Whyte, Lynda","Supramolecuar Motifs in s-Block Metal-Bound Sulfonated Monoazo Dyes: The Case of Orange G","Inorganic Chemistry","2006","45","7","2965","2971","10.1021/ic0520115","","","0.71073","MoKα","","0.093","0.0617","","","0.1599","0.179","","","","","","1.036","","","","has coordinates,has disorder","179422","2020-10-21","18:00:00",""
"4331998","10.0523","0.0001","18.4467","0.0004","25.6764","0.0005","90","","92.686","0.001","90","","4755.99","0.15","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 Cs N4 Na3 O27 S4 -","- C32 H46 Cs N4 Na3 O27 S4 -","- C128 H184 Cs4 N16 Na12 O108 S16 -","4","0.5","","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; Whyte, Lynda","Supramolecuar Motifs in s-Block Metal-Bound Sulfonated Monoazo Dyes: The Case of Orange G","Inorganic Chemistry","2006","45","7","2965","2971","10.1021/ic0520115","","","0.71073","MoKα","","0.0463","0.0297","","","0.0599","0.0648","","","","","","1.049","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4331999","8.8702","0.0009","10.678","0.0008","13.2722","0.0009","106.435","0.001","102.805","0.001","108.338","0.001","1075.81","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Ag2 N2 O12 S2 -","- C16 H17 Ag2 N2 O12 S2 -","- C32 H34 Ag4 N4 O24 S4 -","2","1","","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; Whyte, Lynda","Supramolecuar Motifs in s-Block Metal-Bound Sulfonated Monoazo Dyes: The Case of Orange G","Inorganic Chemistry","2006","45","7","2965","2971","10.1021/ic0520115","","","0.8466","synchrotron","","0.0452","0.0442","","","0.1171","0.1185","","","","","","1.031","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4332000","8.0242","0.001","15.578","0.002","14.3744","0.0018","90","","90.799","0.002","90","","1796.6","0.4","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(mer-BQA)PtMe2I","(mer-BQA)PtMe2I","","- C20 H18 I N3 Pt -","- C20 H18 I N3 Pt -","- C80 H72 I4 N12 Pt4 -","4","1","","Harkins, Seth B.; Peters, Jonas C.","Unexpected Photoisomerization of a Pincer-type Amido Ligand Leads to Facial Coordination at Pt(IV)","Inorganic Chemistry","2006","45","11","4316","4318","10.1021/ic052014h","","x-ray","0.71073","MoKα","","0.0367","0.0271","","","0.0604","0.0633","","","","","","1.339","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332001","7.9108","0.0008","15.9623","0.0016","14.5739","0.0015","90","","90.771","0.002","90","","1840.1","0.3","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(fac-BQA)PtMe2I","(fac-BQA)PtMe2I","","- C20 H18 I N3 Pt -","- C20 H18 I N3 Pt -","- C80 H72 I4 N12 Pt4 -","4","1","","Harkins, Seth B.; Peters, Jonas C.","Unexpected Photoisomerization of a Pincer-type Amido Ligand Leads to Facial Coordination at Pt(IV)","Inorganic Chemistry","2006","45","11","4316","4318","10.1021/ic052014h","","x-ray","0.71073","MoKα","","0.0234","0.0202","","","0.0466","0.0474","","","","","","1.087","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332002","13.8342","0.0005","14.8844","0.0005","9.9174","0.0004","90","","90","","90","","2042.13","0.13","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[H(fac-BQA)PtMe2I][BF4]","[H(fac-BQA)PtMe2I][BF4]","","- C20 H19 B F4 I N3 Pt -","- C20 H19 B F4 I N3 Pt -","- C80 H76 B4 F16 I4 N12 Pt4 -","4","0.5","","Harkins, Seth B.; Peters, Jonas C.","Unexpected Photoisomerization of a Pincer-type Amido Ligand Leads to Facial Coordination at Pt(IV)","Inorganic Chemistry","2006","45","11","4316","4318","10.1021/ic052014h","","x-ray","0.71073","MoKα","","0.0816","0.0497","","","0.1253","0.1453","","","","","","1.032","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332003","26.3397","0.0006","26.3397","0.0006","13.2433","0.0005","90","","90","","120","","7957","0.4","173","2","173","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C9 H22 Cd5 N36 O7 -","- C9 H6 Cd5 N36 O3.625 -","- C72 H48 Cd40 N288 O29 -","8","0.333333","","He, Xiang; Lu, Can-Zhong; Yuan, Da-Qiang","Two 3D Porous Cadmium Tetrazolate Frameworks with Hexagonal Tunnels","Inorganic Chemistry","2006","45","15","5760","5766","10.1021/ic0520162","","","0.71073","MoKα","","0.0845","0.0842","","","0.2661","0.2663","","","","","","1.003","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332004","13.1198","0.0004","13.1198","0.0004","13.6007","0.0007","90","","90","","120","","2027.43","0.14","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C9 H24 Cd5 N46 O6 -","- C9 H15 Cd5 N46 O6 -","- C18 H30 Cd10 N92 O12 -","2","0.166667","","He, Xiang; Lu, Can-Zhong; Yuan, Da-Qiang","Two 3D Porous Cadmium Tetrazolate Frameworks with Hexagonal Tunnels","Inorganic Chemistry","2006","45","15","5760","5766","10.1021/ic0520162","","","0.71073","MoKα","","0.0239","0.0237","","","0.057","0.0572","","","","","","1.027","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332005","13.1421","0.0012","13.2006","0.0009","13.2886","0.0011","90.227","0.009","109.452","0.009","100.751","0.01","2130.2","0.3","200","","","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H58 F18 Lu2 N10 O20 -","- C86 H58 F18 Lu2 N10 O20 -","- C86 H58 F18 Lu2 N10 O20 -","1","0.5","","Nozary, Homayoun; Torelli, Stéphane; Guénée, Laure; Terazzi, Emmanuel; Bernardinelli, Gérald; Donnio, Bertrand; Guillon, Daniel; Piguet, Claude","Structural, Thermodynamic, and Mesomorphic Consequences of Replacing Nitrates with Trifluoroacetate Counteranions in Ternary Lanthanide Complexes with Hexacatenar Tridentate Ligands","Inorganic Chemistry","2006","45","7","2989","3003","10.1021/ic052017u","","","0.71073","MoKα","","","0.03","","","","0.029","","","","","","1.01","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332006","21.0157","0.0013","15.7864","0.0011","24.2601","0.0013","90","","114.098","0.007","90","","7347.1","0.9","200","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H154 F18 La2 N10 O32 -","- C134 H154 F18 La2 N10 O32 -","- C268 H308 F36 La4 N20 O64 -","2","0.5","","Nozary, Homayoun; Torelli, Stéphane; Guénée, Laure; Terazzi, Emmanuel; Bernardinelli, Gérald; Donnio, Bertrand; Guillon, Daniel; Piguet, Claude","Structural, Thermodynamic, and Mesomorphic Consequences of Replacing Nitrates with Trifluoroacetate Counteranions in Ternary Lanthanide Complexes with Hexacatenar Tridentate Ligands","Inorganic Chemistry","2006","45","7","2989","3003","10.1021/ic052017u","","","0.71073","MoKα","","","0.062","","","","0.063","","","","","","1.73","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332007","12.8253","0.0011","13.7314","0.001","14.5785","0.001","90.864","0.009","115.333","0.009","107.074","0.009","2188.6","0.4","200","","","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H31.6 F9 Lu N5 O11.3 -","- C43 H31 F9 Lu N5 O11.3 -","- C86 H62 F18 Lu2 N10 O22.6 -","2","1","","Nozary, Homayoun; Torelli, Stéphane; Guénée, Laure; Terazzi, Emmanuel; Bernardinelli, Gérald; Donnio, Bertrand; Guillon, Daniel; Piguet, Claude","Structural, Thermodynamic, and Mesomorphic Consequences of Replacing Nitrates with Trifluoroacetate Counteranions in Ternary Lanthanide Complexes with Hexacatenar Tridentate Ligands","Inorganic Chemistry","2006","45","7","2989","3003","10.1021/ic052017u","","","0.71073","MoKα","","","0.026","","","","0.025","","","","","","1.11","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332008","8.2295","0.0003","8.2295","0.0003","25.681","0.002","90","","90","","90","","1739.24","0.16","150","","150","","","","","","","","?","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 Cl4 Cu N2 S4 -","- C12 H8 Cl4 Cu N2 S4 -","- C48 H32 Cl16 Cu4 N8 S16 -","4","0.5","","Staniland, Sarah S.; Harrison, Andrew; Robertson, Neil; Kamenev, Konstantin V.; Parsons, Simon","Structural and Magnetic Properties of [BDTA]2[MCl4] [M = Cu (1), Co (2), and Mn (3)], Revealing anS=1/2Square-Lattice Antiferromagnet with Weak Magnetic Exchange","Inorganic Chemistry","2006","45","15","5767","5773","10.1021/ic052024i","","","0.71073","MoKα","","0.0362","0.027","","0.0734","0.0651","0.0734","","","","","","0.9225","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332009","28.0151","0.0008","8.4963","0.0002","16.3222","0.0005","90","","109.924","0.001","90","","3652.55","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cl4 Co N2 S4 -","- C12 H8 Cl4 Co N2 S4 -","- C96 H64 Cl32 Co8 N16 S32 -","8","1","","Staniland, Sarah S.; Harrison, Andrew; Robertson, Neil; Kamenev, Konstantin V.; Parsons, Simon","Structural and Magnetic Properties of [BDTA]2[MCl4] [M = Cu (1), Co (2), and Mn (3)], Revealing anS=1/2Square-Lattice Antiferromagnet with Weak Magnetic Exchange","Inorganic Chemistry","2006","45","15","5767","5773","10.1021/ic052024i","","","0.71073","MoKα","","0.0694","0.0505","","","0.0953","0.1021","","","","","","1.154","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4332010","28.1046","0.0009","8.5467","0.0002","16.4017","0.0005","90","","109.973","0.002","90","","3702.76","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cl4 Mn N2 S4 -","- C12 H8 Cl4 Mn N2 S4 -","- C96 H64 Cl32 Mn8 N16 S32 -","8","1","","Staniland, Sarah S.; Harrison, Andrew; Robertson, Neil; Kamenev, Konstantin V.; Parsons, Simon","Structural and Magnetic Properties of [BDTA]2[MCl4] [M = Cu (1), Co (2), and Mn (3)], Revealing anS=1/2Square-Lattice Antiferromagnet with Weak Magnetic Exchange","Inorganic Chemistry","2006","45","15","5767","5773","10.1021/ic052024i","","","0.71073","MoKα","","0.0519","0.0405","","","0.0839","0.0896","","","","","","1.108","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332011","10.531","0.0006","14.135","0.0008","18.2045","0.001","90","","103.629","0.001","90","","2633.5","0.3","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Ag B F4 N8 S4 -","- C18 H24 Ag B F4 N8 S4 -","- C72 H96 Ag4 B4 F16 N32 S16 -","4","1","","Silva, Rosalice M.; Smith, Mark D.; Gardinier, James R.","Anion- and Solvent-Directed Assembly in Silver Bis(thioimidazolyl)methane Chemistry and the Silver−Sulfur Interaction","Inorganic Chemistry","2006","45","5","2132","2142","10.1021/ic052025a","","","0.71073","MoKα","","0.0392","0.0321","","","0.076","0.0784","","","","","","0.983","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332012","10.3342","0.0007","14.2812","0.0009","18.9471","0.0013","90","","101.8","0.001","90","","2737.2","0.3","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Ag F6 N8 P S4 -","- C18 H24 Ag F6 N8 P S4 -","- C72 H96 Ag4 F24 N32 P4 S16 -","4","1","","Silva, Rosalice M.; Smith, Mark D.; Gardinier, James R.","Anion- and Solvent-Directed Assembly in Silver Bis(thioimidazolyl)methane Chemistry and the Silver−Sulfur Interaction","Inorganic Chemistry","2006","45","5","2132","2142","10.1021/ic052025a","","","0.71073","MoKα","","0.0351","0.0291","","","0.0649","0.0667","","","","","","0.973","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332013","12.5631","0.0006","10.9887","0.0005","21.271","0.0009","90","","90","","90","","2936.5","0.2","150","1","150","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C18 H24 Ag2 B2 F8 N8 S4 -","- C18 H24 Ag2 B2 F8 N8 S4 -","- C72 H96 Ag8 B8 F32 N32 S16 -","4","1","","Silva, Rosalice M.; Smith, Mark D.; Gardinier, James R.","Anion- and Solvent-Directed Assembly in Silver Bis(thioimidazolyl)methane Chemistry and the Silver−Sulfur Interaction","Inorganic Chemistry","2006","45","5","2132","2142","10.1021/ic052025a","","","0.71073","MoKα","","0.0325","0.031","","","0.0777","0.0788","","","","","","1.039","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332014","12.2593","0.0008","12.3743","0.0008","15.2717","0.0009","106.111","0.001","93.416","0.001","115.334","0.001","1968.8","0.2","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C24 H36 Ag2 F12 N8 O2 P2 S4 -","- C24 H36 Ag2 F12 N8 O2 P2 S4 -","- C48 H72 Ag4 F24 N16 O4 P4 S8 -","2","1","","Silva, Rosalice M.; Smith, Mark D.; Gardinier, James R.","Anion- and Solvent-Directed Assembly in Silver Bis(thioimidazolyl)methane Chemistry and the Silver−Sulfur Interaction","Inorganic Chemistry","2006","45","5","2132","2142","10.1021/ic052025a","","","0.71073","MoKα","","0.032","0.0294","","","0.0759","0.0773","","","","","","1.031","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4332015","12.8641","0.0007","22.025","0.0012","23.7696","0.0013","90","","90","","90","","6734.7","0.6","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Ag2 F6 N8 O6 S6 -","- C20 H24 Ag2 F6 N8 O6 S6 -","- C160 H192 Ag16 F48 N64 O48 S48 -","8","1","","Silva, Rosalice M.; Smith, Mark D.; Gardinier, James R.","Anion- and Solvent-Directed Assembly in Silver Bis(thioimidazolyl)methane Chemistry and the Silver−Sulfur Interaction","Inorganic Chemistry","2006","45","5","2132","2142","10.1021/ic052025a","","","0.71073","MoKα","","0.0444","0.0391","","","0.0973","0.1005","","","","","","1.052","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332016","14.3275","0.0006","24.8141","0.0011","22.6936","0.001","90","","102.811","0.001","90","","7867.3","0.6","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H63 Ag4 F24 N21 P4 S10 -","- C47 H63 Ag4 F24 N21 P4 S10 -","- C188 H252 Ag16 F96 N84 P16 S40 -","4","1","","Silva, Rosalice M.; Smith, Mark D.; Gardinier, James R.","Anion- and Solvent-Directed Assembly in Silver Bis(thioimidazolyl)methane Chemistry and the Silver−Sulfur Interaction","Inorganic Chemistry","2006","45","5","2132","2142","10.1021/ic052025a","","","0.71073","MoKα","","0.0597","0.0367","","","0.0668","0.0729","","","","","","1","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332017","8.7159","0.0018","11.833","0.002","31.627","0.007","90","","90","","90","","3261.9","1.1","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","eisaa02","","","- C28 H44 F6 Ir O2 P2 Sb -","- C28 H44 F6 Ir O2 P2 Sb -","- C112 H176 F24 Ir4 O8 P8 Sb4 -","4","1","","Janka, Mesfin; Atesin, Abdurrahman Ç.; Fox, Daniel J.; Flaschenriem, Christine; Brennessel, William W.; Eisenberg, Richard","Highly Diastereoselective Oxidative Addition of Methyl Iodide to a Chiral Square-Planar Complex","Inorganic Chemistry","2006","45","17","6559","6561","10.1021/ic052027v","","","0.71073","MoKα","","0.0361","0.0342","","","0.0805","0.0816","","","","","","1.082","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332018","10.978","0.002","14.296","0.003","18.263","0.004","90","","90","","90","","2866.2","1","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","eisdf02","","","- C27 H44 I Ir O P2 -","- C27 H44 I Ir O P2 -","- C108 H176 I4 Ir4 O4 P8 -","4","1","","Janka, Mesfin; Atesin, Abdurrahman Ç.; Fox, Daniel J.; Flaschenriem, Christine; Brennessel, William W.; Eisenberg, Richard","Highly Diastereoselective Oxidative Addition of Methyl Iodide to a Chiral Square-Planar Complex","Inorganic Chemistry","2006","45","17","6559","6561","10.1021/ic052027v","","","0.71073","MoKα","","0.0635","0.0348","","","0.0644","0.071","","","","","","1.026","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332019","10.6355","0.0004","11.1126","0.0004","26.7012","0.0009","90","","90","","90","","3155.8","0.2","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","EISMJ02","","","- C28 H47 I2 Ir O P2 -","- C27.9664 H46.8992 I2 Ir O P2 -","- C111.866 H187.597 I8 Ir4 O4 P8 -","4","1","","Janka, Mesfin; Atesin, Abdurrahman Ç.; Fox, Daniel J.; Flaschenriem, Christine; Brennessel, William W.; Eisenberg, Richard","Highly Diastereoselective Oxidative Addition of Methyl Iodide to a Chiral Square-Planar Complex","Inorganic Chemistry","2006","45","17","6559","6561","10.1021/ic052027v","","","0.71073","MoKα","","0.0146","0.0137","","","0.0308","0.031","","","","","","0.881","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332020","24.444","0.012","8.242","0.004","11.259","0.005","90","","105.045","0.008","90","","2190.6","1.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni4 O38 -","- C72 H84 N8 Ni4 O38 -","- C72 H84 N8 Ni4 O38 -","1","0.25","","Zang, Shuangquan; Su, Yang; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","One Dense and Two Open Chiral Metal−Organic Frameworks: Crystal Structures and Physical Properties","Inorganic Chemistry","2006","45","7","2972","2978","10.1021/ic0520418","","","0.71073","MoKα","","0.0768","0.0589","","","0.1248","0.1288","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332021","24.495","0.009","8.32","0.002","11.375","0.003","90","","105.222","0.013","90","","2236.9","1.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H80 Co4 N8 O36 -","- C72 H80 Co4 N8 O36 -","- C72 H80 Co4 N8 O36 -","1","0.25","","Zang, Shuangquan; Su, Yang; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","One Dense and Two Open Chiral Metal−Organic Frameworks: Crystal Structures and Physical Properties","Inorganic Chemistry","2006","45","7","2972","2978","10.1021/ic0520418","","","0.71073","MoKα","","0.0676","0.0577","","","0.171","0.1754","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332022","12.8518","0.0006","10.464","0.0005","16.5329","0.0008","90","","102.486","0.002","90","","2170.78","0.18","293","","293","","","","","","","","see paper","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Ga4 N6 S7 -","- C6 H16 Ga4 N6 S7 -","- C24 H64 Ga16 N24 S28 -","4","1","","Vaqueiro, Paz","From One-Dimensional Chains to Three-Dimensional Networks: Solvothermal Synthesis of Thiogallates in Ethylenediamine","Inorganic Chemistry","2006","45","10","4150","4156","10.1021/ic052043s","","","0.71073","MoKα","","0.0514","0.0201","","0.0332","0.0224","0.0224","","","","","","1.2507","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332023","9.5555","0.0006","15.0696","0.001","12.2893","0.0007","90","","90","","90","","1769.63","0.19","100","","100","","","","","","","","see paper","6","C m c m","-C 2c 2","63","","","","- C3 H12 Ga Mn0.5 N3 S2 -","- C3 H12 Ga Mn0.5 N3 S2 -","- C24 H96 Ga8 Mn4 N24 S16 -","8","0.5","","Vaqueiro, Paz","From One-Dimensional Chains to Three-Dimensional Networks: Solvothermal Synthesis of Thiogallates in Ethylenediamine","Inorganic Chemistry","2006","45","10","4150","4156","10.1021/ic052043s","","","0.71073","MoKα","","0.0393","0.0211","","0.0297","0.0246","0.0246","","","","","","0.8381","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332024","9.466","0.0007","15.099","0.0011","12.254","0.0008","90","","90","","90","","1751.4","0.2","100","","100","","","","","","","","see paper","6","C m c m","-C 2c 2","63","","","","- C3 H12 Co0.5 Ga N3 S2 -","- C3 H12 Co0.5 Ga N3 S2 -","- C24 H96 Co4 Ga8 N24 S16 -","8","0.5","","Vaqueiro, Paz","From One-Dimensional Chains to Three-Dimensional Networks: Solvothermal Synthesis of Thiogallates in Ethylenediamine","Inorganic Chemistry","2006","45","10","4150","4156","10.1021/ic052043s","","","0.71073","MoKα","","0.0575","0.0201","","0.0334","0.0211","0.0211","","","","","","1.1174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332025","9.451","0.001","15.1416","0.0015","12.2387","0.0011","90","","90","","90","","1751.4","0.3","100","","100","","","","","","","","see paper","6","C m c m","-C 2c 2","63","","","","- C3 H12 Ga N3 Ni0.5 S2 -","- C3 H12 Ga N3 Ni0.5 S2 -","- C24 H96 Ga8 N24 Ni4 S16 -","8","0.5","","Vaqueiro, Paz","From One-Dimensional Chains to Three-Dimensional Networks: Solvothermal Synthesis of Thiogallates in Ethylenediamine","Inorganic Chemistry","2006","45","10","4150","4156","10.1021/ic052043s","","","0.71073","MoKα","","0.0663","0.0237","","0.0586","0.0232","0.0232","","","","","","1.0726","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332026","14.3002","0.0011","7.9509","0.0005","12.1184","0.0006","90","","100.191","0.004","90","","1356.12","0.15","293","","293","","","","","","","","see paper","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 Ga2 Mn N4 S4 -","- C4 H16 Ga2 Mn N4 S4 -","- C16 H64 Ga8 Mn4 N16 S16 -","4","0.5","","Vaqueiro, Paz","From One-Dimensional Chains to Three-Dimensional Networks: Solvothermal Synthesis of Thiogallates in Ethylenediamine","Inorganic Chemistry","2006","45","10","4150","4156","10.1021/ic052043s","","","0.71073","MoKα","","0.031","0.0235","","0.0386","0.0267","0.0267","","","","","","1.0747","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332027","12.4276","0.0018","17.482","0.002","22.792","0.003","108.535","0.004","93.198","0.006","110.092","0.006","4332.8","1","90","2","90","2","","","","","","","","7","P -1","-P 1","2","(Et4N)[Cu(neo)Ni(NpPepS)].0.5Et2O.0.5H2O","","","- C48 H51.5 Cu N5 Ni O3 S2 -","- C48 H51 Cu N5 Ni O3 S2 -","- C192 H204 Cu4 N20 Ni4 O12 S8 -","4","2","","Harrop, Todd C.; Olmstead, Marilyn M.; Mascharak, Pradip K.","Synthetic Analogues of the Active Site of the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Syntheses, Structures, and Reactions with CO","Inorganic Chemistry","2006","45","8","3424","3436","10.1021/ic0520465","","","0.71073","MoKα","","0.1198","0.0564","","","0.1219","0.1682","","","","","","1.008","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332028","19.9276","0.0007","20.5446","0.0007","9.3913","0.0003","90","","90","","90","","3844.8","0.2","90","2","90","2","","","","","","","","7","P n a 21","P 2c -2n","33","(Et4N)[Cu(neo)Ni(PhPepS)].H2O","","","- C42 H46 Cu N5 Ni O3 S2 -","- C42 H46 Cu N5 Ni O3 S2 -","- C168 H184 Cu4 N20 Ni4 O12 S8 -","4","1","","Harrop, Todd C.; Olmstead, Marilyn M.; Mascharak, Pradip K.","Synthetic Analogues of the Active Site of the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Syntheses, Structures, and Reactions with CO","Inorganic Chemistry","2006","45","8","3424","3436","10.1021/ic0520465","","","0.71073","MoKα","","0.0338","0.028","","","0.0675","0.0692","","","","","","1.086","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332029","18.6353","0.0015","20.2119","0.0017","17.3241","0.0014","90","","110.887","0.003","90","","6096.4","0.9","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Et4N)2[Ni{Ni(NpPepS)}2].DMF","","","- C67 H74 N7 Ni3 O5 S4 -","- C67 H74 N7 Ni3 O5 S4 -","- C268 H296 N28 Ni12 O20 S16 -","4","1","","Harrop, Todd C.; Olmstead, Marilyn M.; Mascharak, Pradip K.","Synthetic Analogues of the Active Site of the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Syntheses, Structures, and Reactions with CO","Inorganic Chemistry","2006","45","8","3424","3436","10.1021/ic0520465","","","0.71073","MoKα","","0.1002","0.0499","","","0.1215","0.152","","","","","","1.052","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332030","17.009","0.003","13.0882","0.0016","37.076","0.004","90","","101.902","0.012","90","","8076","2","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Et4N)2[Ni(DMF)2{Ni(NpPepS)}2].3DMF","","","- C79 H103 N11 Ni3 O9 S4 -","- C79 H103 N11 Ni3 O9 S4 -","- C316 H412 N44 Ni12 O36 S16 -","4","1","","Harrop, Todd C.; Olmstead, Marilyn M.; Mascharak, Pradip K.","Synthetic Analogues of the Active Site of the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Syntheses, Structures, and Reactions with CO","Inorganic Chemistry","2006","45","8","3424","3436","10.1021/ic0520465","","","1.54178","CuKα","","0.0724","0.046","","","0.1013","0.1153","","","","","","1.004","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332031","12.2141","0.0015","15.5332","0.0017","16.2978","0.0019","90","","97.638","0.003","90","","3064.7","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Et4N)2[Ni(DMF)2{Ni(PhPepS)}2]","","","- C62 H78 N8 Ni3 O6 S4 -","- C62 H78 N8 Ni3 O6 S4 -","- C124 H156 N16 Ni6 O12 S8 -","2","0.5","","Harrop, Todd C.; Olmstead, Marilyn M.; Mascharak, Pradip K.","Synthetic Analogues of the Active Site of the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Syntheses, Structures, and Reactions with CO","Inorganic Chemistry","2006","45","8","3424","3436","10.1021/ic0520465","","","0.71073","MoKα","","0.1128","0.0644","","","0.1303","0.1582","","","","","","1.089","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332032","19.6312","0.0003","19.6312","0.0003","28.7145","0.001","90","","90","","120","","9583.5","0.4","173","2","173","2","","","","","","","","7","P 6 c c","P 6 -2c","184","","","","- C40.67 H49.33 Cl3.33 Cu N4 O8 Si4 -","- C40.6667 H48 Cl3.34 Cu N4 O8 Si4 -","- C244 H288 Cl20.04 Cu6 N24 O48 Si24 -","6","0.5","","Park, Byung Il; Chun, In Sung; Lee, Young-A; Park, Ki-Min; Jung, Ok-Sang","Supramolecular Framework with Two Different Kinds of Channels via Self-Assembly of 1D Coordination Polymers in a Prismatic Manner","Inorganic Chemistry","2006","45","11","4310","4312","10.1021/ic052053t","","","0.71073","MoKα","","0.1234","0.0704","","","0.1644","0.1862","","","","","","0.97","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332033","12.5801","0.0013","14.8211","0.0016","18.7249","0.0019","88.894","0.002","85.266","0.002","75.55","0.002","3369.3","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(1,3-bis(phenyl)triazenido-N,N')tetrakis{triethoxyphosphine}ruthenium(II) tetraphenylborate","","- C60 H90 B N3 O12 P4 Ru -","- C60 H90 B N3 O12 P4 Ru -","- C120 H180 B2 N6 O24 P8 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Bedin, Marco; Castro, Jesús; Garcia-Fontán, Soledad","Synthesis and Characterization of Triazenide and Triazene Complexes of Ruthenium and Osmium","Inorganic Chemistry","2006","45","9","3816","3825","10.1021/ic052063u","","","0.71073","MoKα","","0.1088","0.0506","","","0.0945","0.1078","","","","","","0.821","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332034","12.5264","0.0006","15.1969","0.0007","18.0865","0.0008","87.134","0.001","83.701","0.001","82.962","0.001","3394.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","hydride-phenyldiazene-tetrakis{phenylbiethoxyphosphine}osmium(II) tetraphenylborate","","- C70 H87 B N2 O8 Os P4 -","- C70 H87 B N2 O8 Os P4 -","- C140 H174 B2 N4 O16 Os2 P8 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Bedin, Marco; Castro, Jesús; Garcia-Fontán, Soledad","Synthesis and Characterization of Triazenide and Triazene Complexes of Ruthenium and Osmium","Inorganic Chemistry","2006","45","9","3816","3825","10.1021/ic052063u","","","0.71073","MoKα","","0.0481","0.0351","","","0.0567","0.0591","","","","","","0.864","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332035","20.7862","0.0015","11.4386","0.0007","30.107","0.002","90","","106.665","0.002","90","","6857.7","0.8","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C45 H101 Cl La2 N4 O2 S Si8 -","- C45 H100 Cl La2 N4 O2 S Si8 -","- C180 H400 Cl4 La8 N16 O8 S4 Si32 -","4","0.5","","Li, Hong-Xi; Cheng, Mei-Ling; Ren, Zhi-Gang; Zhang, Wen-Hua; Lang, Jian-Ping; Shen, Qi","Unique Formation of a Pentanuclear Lanthanum(III) Thiolate Oxide Cluster via Control of Hydrolysis","Inorganic Chemistry","2006","45","5","1885","1887","10.1021/ic052073v","","","0.7107","MoKα","","0.0513","0.0422","","","0.0972","0.1025","","","","","","1.12","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332036","26.247","0.004","20.784","0.002","25.361","0.003","90","","114.473","0.003","90","","12592","3","193","2","193","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C103 H142 Cl2 La5 Li N2 O7 S10 Si4 -","- C103 H142 Cl2 La5 Li N2 O7 S10 Si4 -","- C412 H568 Cl8 La20 Li4 N8 O28 S40 Si16 -","4","0.5","","Li, Hong-Xi; Cheng, Mei-Ling; Ren, Zhi-Gang; Zhang, Wen-Hua; Lang, Jian-Ping; Shen, Qi","Unique Formation of a Pentanuclear Lanthanum(III) Thiolate Oxide Cluster via Control of Hydrolysis","Inorganic Chemistry","2006","45","5","1885","1887","10.1021/ic052073v","","","0.7107","MoKα","","0.0761","0.0599","","","0.1365","0.1461","","","","","","1.114","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332037","8.718","0.003","11.384","0.004","22.573","0.008","103.077","0.011","96.329","0.012","90.864","0.007","2167","1.3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H62 La Li N2 O2 S2 Si4 -","- C32 H62 La Li N2 O2 S2 Si4 -","- C64 H124 La2 Li2 N4 O4 S4 Si8 -","2","1","","Li, Hong-Xi; Cheng, Mei-Ling; Ren, Zhi-Gang; Zhang, Wen-Hua; Lang, Jian-Ping; Shen, Qi","Unique Formation of a Pentanuclear Lanthanum(III) Thiolate Oxide Cluster via Control of Hydrolysis","Inorganic Chemistry","2006","45","5","1885","1887","10.1021/ic052073v","","","0.7107","MoKα","","0.0937","0.0695","","","0.1708","0.1912","","","","","","1.035","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332038","17.911","0.005","15.804","0.005","6.6538","0.0018","90","","90","","90","","1883.5","0.9","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H12 Mn N12 -","- C18 H12 Mn N12 -","- C72 H48 Mn4 N48 -","4","0.5","","Das, Anamika; Rosair, Georgina M.; El Fallah, M. Salah; Ribas, Joan; Mitra, Samiran","Weak Metamagnetic-like 1D Manganese(II) Complex with a Double μ1,1-Azido Bridge: A Structure and Magnetic Study","Inorganic Chemistry","2006","45","8","3301","3306","10.1021/ic052088t","","","0.71073","MoKα","","0.0848","0.0429","","","0.0943","0.1011","","","","","","0.952","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4332039","11.685","0.0002","26.184","0.0005","28.1148","0.0005","90","","90","","90","","8602","0.3","90","0.2","90","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H60 Al N2 O5 P -","- C45 H60 Al N2 O5 P -","- C360 H480 Al8 N16 O40 P8 -","8","2","","Mitra, Amitabha; Parkin, Sean; Atwood, David A.","Aluminum Phosphinate and Phosphates of Salen Ligands","Inorganic Chemistry","2006","45","10","3970","3975","10.1021/ic052090k","","","1.54178","CuKα","","0.0457","0.0408","","","0.0996","0.103","","","","","","1.05","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332040","15.0232","0.0001","18.8031","0.0002","21.9993","0.0003","89.9924","0.0004","71.8021","0.0004","82.2916","0.0004","5844.49","0.11","90","0.2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C115 H169 Al3 Br N6 O15 P2 -","- C115 H169 Al3 Br N6 O15 P2 -","- C230 H338 Al6 Br2 N12 O30 P4 -","2","1","","Mitra, Amitabha; Parkin, Sean; Atwood, David A.","Aluminum Phosphinate and Phosphates of Salen Ligands","Inorganic Chemistry","2006","45","10","3970","3975","10.1021/ic052090k","","","0.71073","MoKα","","0.1434","0.073","","","0.1833","0.2158","","","","","","1.049","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332041","10.6546","0.0002","17.6944","0.0003","24.9473","0.0005","90","","95.9921","0.0007","90","","4677.54","0.15","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H148 Al2 N4 O12 P2 -","- C96 H148 Al2 N4 O12 P2 -","- C192 H296 Al4 N8 O24 P4 -","2","0.5","","Mitra, Amitabha; Parkin, Sean; Atwood, David A.","Aluminum Phosphinate and Phosphates of Salen Ligands","Inorganic Chemistry","2006","45","10","3970","3975","10.1021/ic052090k","","","0.71073","MoKα","","0.1236","0.0566","","","0.1079","0.1307","","","","","","0.998","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332042","18.3","0.005","13.331","0.004","20.992","0.006","90","","111.917","0.004","90","","4751","2","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H60 K2 N2 Si4 -","- C46 H60 K2 N2 Si4 -","- C184 H240 K8 N8 Si16 -","4","0.5","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Lanthanum and Alkali Metal Coordination Chemistry of the Bis(dimethylphenylsilyl)amide Ligand","Inorganic Chemistry","2006","45","8","3437","3443","10.1021/ic052091c","","","0.71073","MoKα","","0.0448","0.0316","","","0.0785","0.0853","","","","","","1.035","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332043","11.334","0.005","11.469","0.005","28.841","0.012","88.759","0.007","87.665","0.007","71.764","0.006","3558","3","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 K2 N2 Si4 -","- C46 H60 K2 N2 Si4 -","- C138 H180 K6 N6 Si12 -","3","1.5","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Lanthanum and Alkali Metal Coordination Chemistry of the Bis(dimethylphenylsilyl)amide Ligand","Inorganic Chemistry","2006","45","8","3437","3443","10.1021/ic052091c","","","0.71073","MoKα","","0.1599","0.09","","","0.2044","0.2386","","","","","","1.031","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332044","11.6717","0.0014","11.7444","0.0014","13.7456","0.0017","87.787","0.002","76.661","0.002","72.868","0.002","1751.2","0.4","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.5 H50 K N O6 Si2 -","- C31.5 H46 K N O6 Si2 -","- C63 H92 K2 N2 O12 Si4 -","2","1","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Lanthanum and Alkali Metal Coordination Chemistry of the Bis(dimethylphenylsilyl)amide Ligand","Inorganic Chemistry","2006","45","8","3437","3443","10.1021/ic052091c","","","0.71073","MoKα","","0.1943","0.148","","","0.3652","0.4101","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332045","11.143","0.002","22.3","0.004","18.258","0.003","90","","103.521","0.003","90","","4411.2","1.3","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 N2 Na2 O2 Si4 -","- C40 H60 N2 Na2 O2 Si4 -","- C160 H240 N8 Na8 O8 Si16 -","4","1","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Lanthanum and Alkali Metal Coordination Chemistry of the Bis(dimethylphenylsilyl)amide Ligand","Inorganic Chemistry","2006","45","8","3437","3443","10.1021/ic052091c","","","0.71073","MoKα","","0.1337","0.0634","","","0.1558","0.1994","","","","","","1.028","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332046","10.7007","0.0011","14.9335","0.0015","21.83","0.002","90","","97.307","0.002","90","","3460.1","0.6","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 La N Si2 -","- C36 H52 La N Si2 -","- C144 H208 La4 N4 Si8 -","4","1","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Lanthanum and Alkali Metal Coordination Chemistry of the Bis(dimethylphenylsilyl)amide Ligand","Inorganic Chemistry","2006","45","8","3437","3443","10.1021/ic052091c","","","0.71073","MoKα","","0.0209","0.0183","","","0.0473","0.0494","","","","","","1.044","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332047","9.3272","0.0008","10.6844","0.0009","14.9957","0.0012","104.762","0.001","98.924","0.001","110.598","0.001","1302.3","0.19","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H42 K N O6 Si2 -","- C18 H42 K N O6 Si2 -","- C36 H84 K2 N2 O12 Si4 -","2","1","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Lanthanum and Alkali Metal Coordination Chemistry of the Bis(dimethylphenylsilyl)amide Ligand","Inorganic Chemistry","2006","45","8","3437","3443","10.1021/ic052091c","","","0.71073","MoKα","","0.0329","0.0287","","","0.0759","0.0792","","","","","","1.029","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332048","5.57","0.011","8.883","0.018","9.84","0.02","92.03","0.03","104.3","0.03","97.45","0.03","466.6","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H11 Mn N O8 P2 -","- C3 H11 Mn N O8 P2 -","- C6 H22 Mn2 N2 O16 P4 -","2","1","","Gong, Yun; Tang, Wang; Hou, Wenbin; Zha, Zhongyong; Hu, Changwen","Transformation from a Low-Dimensional Framework to a High-Dimensional Architecture Based on Different Metal Ions: Syntheses, Structures, and Photoluminescences","Inorganic Chemistry","2006","45","13","4987","4995","10.1021/ic052095h","","","0.71073","MoKα","","0.0764","0.0535","","","0.1094","0.117","","","","","","1.106","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332049","5.4483","0.0019","8.828","0.003","9.809","0.004","91.748","0.005","103.976","0.005","97.928","0.005","452.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H11 Co N O8 P2 -","- C3 H11 Co N O8 P2 -","- C6 H22 Co2 N2 O16 P4 -","2","1","","Gong, Yun; Tang, Wang; Hou, Wenbin; Zha, Zhongyong; Hu, Changwen","Transformation from a Low-Dimensional Framework to a High-Dimensional Architecture Based on Different Metal Ions: Syntheses, Structures, and Photoluminescences","Inorganic Chemistry","2006","45","13","4987","4995","10.1021/ic052095h","","","0.71073","MoKα","","0.0497","0.0417","","","0.1088","0.1164","","","","","","1.089","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332050","10.232","0.004","7.961","0.003","11.016","0.004","90","","101.448","0.005","90","","879.5","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cu3 N2 O16 P4 -","- C6 H20 Cu3 N2 O16 P4 -","- C12 H40 Cu6 N4 O32 P8 -","2","0.5","","Gong, Yun; Tang, Wang; Hou, Wenbin; Zha, Zhongyong; Hu, Changwen","Transformation from a Low-Dimensional Framework to a High-Dimensional Architecture Based on Different Metal Ions: Syntheses, Structures, and Photoluminescences","Inorganic Chemistry","2006","45","13","4987","4995","10.1021/ic052095h","","","0.71073","MoKα","","0.0303","0.0237","","","0.0603","0.0643","","","","","","1.078","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332051","12.12","0.004","12.481","0.004","12.419","0.004","90","","104.804","0.004","90","","1816.3","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H44 N4 Ni2 O32 P8 -","- C12 H44 N4 Ni2 O32 P8 -","- C24 H88 N8 Ni4 O64 P16 -","2","0.5","","Gong, Yun; Tang, Wang; Hou, Wenbin; Zha, Zhongyong; Hu, Changwen","Transformation from a Low-Dimensional Framework to a High-Dimensional Architecture Based on Different Metal Ions: Syntheses, Structures, and Photoluminescences","Inorganic Chemistry","2006","45","13","4987","4995","10.1021/ic052095h","","","0.71073","MoKα","","0.0589","0.0393","","","0.0909","0.1023","","","","","","1.058","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332052","9.2565","0.0013","10.211","0.0014","10.1356","0.0014","90","","104.53","0.002","90","","927.4","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 N O8 P2 Zn -","- C3 H9 N O8 P2 Zn -","- C12 H36 N4 O32 P8 Zn4 -","4","1","","Gong, Yun; Tang, Wang; Hou, Wenbin; Zha, Zhongyong; Hu, Changwen","Transformation from a Low-Dimensional Framework to a High-Dimensional Architecture Based on Different Metal Ions: Syntheses, Structures, and Photoluminescences","Inorganic Chemistry","2006","45","13","4987","4995","10.1021/ic052095h","","","0.71073","MoKα","","0.0326","0.0274","","","0.0706","0.0744","","","","","","1.049","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332053","17.4704","0.0005","9.5119","0.0002","16.4666","0.0005","90","","90","","90","","2736.37","0.13","173","2","173","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C27 H41 N3 S Zn -","- C27 H41 N3 S Zn -","- C108 H164 N12 S4 Zn4 -","4","1","","Barrett, Anthony G. M.; Gray, Andrew A.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.; White, Andrew J. P.","Imino Sulfinamidines: Synthesis and Coordination Chemistry of a Novel Class of Chiral Bidentate Ligands","Inorganic Chemistry","2006","45","8","3352","3358","10.1021/ic052104m","","x-ray","0.71073","MoKα","","0.0509","0.0404","","","0.1014","0.1085","","","","","","1.037","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332054","10.4125","0.0004","11.9105","0.0007","20.7215","0.0011","102.952","0.003","94.096","0.003","107.637","0.003","2359.7","0.2","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C24 H35 N3 S -","- C24 H35 N3 S -","- C96 H140 N12 S4 -","4","2","","Barrett, Anthony G. M.; Gray, Andrew A.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.; White, Andrew J. P.","Imino Sulfinamidines: Synthesis and Coordination Chemistry of a Novel Class of Chiral Bidentate Ligands","Inorganic Chemistry","2006","45","8","3352","3358","10.1021/ic052104m","","x-ray","0.71073","MoKα","","0.1051","0.0585","","","0.129","0.1502","","","","","","1.017","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332055","13.5781","0.0004","11.6793","0.0004","16.7892","0.0005","90","","93.342","0.003","90","","2657.95","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 N3 S Zn -","- C26 H39 N3 S Zn -","- C104 H156 N12 S4 Zn4 -","4","1","","Barrett, Anthony G. M.; Gray, Andrew A.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.; White, Andrew J. P.","Imino Sulfinamidines: Synthesis and Coordination Chemistry of a Novel Class of Chiral Bidentate Ligands","Inorganic Chemistry","2006","45","8","3352","3358","10.1021/ic052104m","","","0.71073","MoKα","","0.0485","0.0374","","","0.1009","0.1073","","","","","","1.101","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332056","8.4281","0.0002","15.3512","0.0004","23.3402","0.0003","90","","99.795","0.001","90","","2975.77","0.11","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H47 Al N3 S -","- C29 H47 Al N3 S -","- C116 H188 Al4 N12 S4 -","4","1","","Barrett, Anthony G. M.; Gray, Andrew A.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.; White, Andrew J. P.","Imino Sulfinamidines: Synthesis and Coordination Chemistry of a Novel Class of Chiral Bidentate Ligands","Inorganic Chemistry","2006","45","8","3352","3358","10.1021/ic052104m","","x-ray","0.71073","MoKα","","0.0544","0.0438","","","0.1097","0.1153","","","","","","1.045","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332057","21.9499","0.0007","18.8731","0.0006","23.4952","0.0007","90","","107.934","0.003","90","","9260.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H134 Mg2 N10 S3 Si2 -","- C84 H134 Mg2 N10 S3 Si2 -","- C336 H536 Mg8 N40 S12 Si8 -","4","1","","Barrett, Anthony G. M.; Gray, Andrew A.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.; White, Andrew J. P.","Imino Sulfinamidines: Synthesis and Coordination Chemistry of a Novel Class of Chiral Bidentate Ligands","Inorganic Chemistry","2006","45","8","3352","3358","10.1021/ic052104m","","","0.71073","MoKα","","0.2146","0.1027","","","0.1497","0.1891","","","","","","1.159","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332058","8.7614","0.0006","10.5627","0.0007","18.4739","0.0012","92.793","0.005","96.704","0.005","100.416","0.005","1665.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H94 I2 Li2 N6 O2 S2 -","- C63 H94 I2 Li2 N6 O2 S2 -","- C63 H94 I2 Li2 N6 O2 S2 -","1","0.5","","Barrett, Anthony G. M.; Gray, Andrew A.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.; White, Andrew J. P.","Imino Sulfinamidines: Synthesis and Coordination Chemistry of a Novel Class of Chiral Bidentate Ligands","Inorganic Chemistry","2006","45","8","3352","3358","10.1021/ic052104m","","","0.71073","MoKα","","0.0899","0.0438","","","0.0908","0.1041","","","","","","0.879","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332059","12.0952","0.0005","13.1275","0.0007","15.5653","0.001","81.669","0.005","85.297","0.004","76.706","0.004","2376.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 N6 S2 Zn -","- C48 H68 N6 S2 Zn -","- C96 H136 N12 S4 Zn2 -","2","1","","Barrett, Anthony G. M.; Gray, Andrew A.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.; White, Andrew J. P.","Imino Sulfinamidines: Synthesis and Coordination Chemistry of a Novel Class of Chiral Bidentate Ligands","Inorganic Chemistry","2006","45","8","3352","3358","10.1021/ic052104m","","","0.71073","MoKα","","0.1382","0.0534","","","0.1006","0.1201","","","","","","0.903","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332060","15.055","0.0002","5.854","0.0001","23.4593","0.0003","90","","106.884","0.0004","90","","1978.39","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H58 F O8 P -","- C39 H39 F O8 P -","- C78 H78 F2 O16 P2 -","2","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically Relevant Phosphoranes: Structural Characterization of Glucofuranose- and Xylofuranose-Based Phosphoranes1","Inorganic Chemistry","2006","45","7","3113","3123","10.1021/ic052105e","","","0.71073","MoKα","","0.0577","0.0534","","","0.1461","0.1505","","","","","","1.045","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332061","9.8938","0.0001","10.2598","0.0001","44.2594","0.0006","90","","90","","90","","4492.7","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 Cl3 F O9 P -","- C41 H50 Cl3 F O9 P -","- C164 H200 Cl12 F4 O36 P4 -","4","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically Relevant Phosphoranes: Structural Characterization of Glucofuranose- and Xylofuranose-Based Phosphoranes1","Inorganic Chemistry","2006","45","7","3113","3123","10.1021/ic052105e","","","0.71073","MoKα","","0.0615","0.0503","","","0.1251","0.1327","","","","","","1.052","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332062","9.8877","0.0001","10.1558","0.0002","37.7904","0.0008","90","","90","","90","","3794.82","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H56 F O7 P -","- C38 H45 F O7 P -","- C152 H180 F4 O28 P4 -","4","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically Relevant Phosphoranes: Structural Characterization of Glucofuranose- and Xylofuranose-Based Phosphoranes1","Inorganic Chemistry","2006","45","7","3113","3123","10.1021/ic052105e","","","0.71073","MoKα","","0.1102","0.0733","","","0.1649","0.1837","","","","","","1.033","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332063","11.0122","0.0002","11.9486","0.0002","17.6226","0.0003","90","","105.816","0.0006","90","","2231","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H65 O9 P -","- C45 H65 O9 P -","- C90 H130 O18 P2 -","2","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically Relevant Phosphoranes: Structural Characterization of Glucofuranose- and Xylofuranose-Based Phosphoranes1","Inorganic Chemistry","2006","45","7","3113","3123","10.1021/ic052105e","","","0.71073","MoKα","","0.0414","0.0346","","","0.0792","0.0829","","","","","","1.045","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332064","12.4469","0.0008","12.7781","0.0008","20.8685","0.0013","90","","97.716","0.001","90","","3289","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 Mo N2 O3 -","- C33 H48 Mo N2 O3 -","- C132 H192 Mo4 N8 O12 -","4","1","","Cross, Warren B.; Anderson, James C.; Wilson, Claire; Blake, Alexander J.","Molybdenum Oxo−Imido Aryloxide Complexes: Oxo Analogues of Olefin Metathesis Catalysts","Inorganic Chemistry","2006","45","11","4556","4561","10.1021/ic0521269","","","0.71073","MoKα","","0.0376","0.032","","","0.0783","0.0815","","","","","","1.026","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332065","13.7787","0.0008","14.7479","0.0009","15.4947","0.0009","74.81","0.001","86.015","0.001","81.253","0.001","3001.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H47 Cl Mo N2 O3 -","- C24 H47 Cl Mo N2 O3 -","- C96 H188 Cl4 Mo4 N8 O12 -","4","2","","Cross, Warren B.; Anderson, James C.; Wilson, Claire; Blake, Alexander J.","Molybdenum Oxo−Imido Aryloxide Complexes: Oxo Analogues of Olefin Metathesis Catalysts","Inorganic Chemistry","2006","45","11","4556","4561","10.1021/ic0521269","","","0.71073","MoKα","","0.0397","0.0317","","","0.0785","0.0851","","","","","","1.009","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332066","9.392","0.0012","8.3861","0.0012","15.617","0.002","90","","92.332","0.002","90","","1229","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H32 Mo N2 O3 -","- C25 H32 Mo N2 O3 -","- C50 H64 Mo2 N4 O6 -","2","1","","Cross, Warren B.; Anderson, James C.; Wilson, Claire; Blake, Alexander J.","Molybdenum Oxo−Imido Aryloxide Complexes: Oxo Analogues of Olefin Metathesis Catalysts","Inorganic Chemistry","2006","45","11","4556","4561","10.1021/ic0521269","","","0.71073","MoKα","","0.025","0.0245","","","0.0613","0.0616","","","","","","1.07","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332067","11.1246","0.0008","14.0736","0.001","46.934","0.004","90","","95.651","0.002","90","","7312.4","1","90","","90","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C61 H65 Cl8 Cu I N P5 Re3 S4 -","- C61 H65 Cl8 Cu I N P5 Re3 S4 -","- C244 H260 Cl32 Cu4 I4 N4 P20 Re12 S16 -","4","1","","Iijima, Kazuya; Sunaga, Tomoaki; Hirose, Masaya; Saito, Taro","Synthesis and Characterization of Rhenium−Copper Sulfide Cluster Complexes [(Ph3P)2N][Re3(CuX)(μ3-S)4Cl6(PMe2Ph)3] (X = Cl, Br, I)","Inorganic Chemistry","2006","45","8","3452","3455","10.1021/ic052135h","","","0.71073","MoKα","","0.1032","0.0852","","","0.1952","0.2062","","","","","","1.15","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332068","11.1389","0.0005","14.6844","0.0006","46.149","0.002","90","","96.792","0.001","90","","7495.5","0.6","173","","173","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C62 H67 Br Cl10 Cu N P5 Re3 S4 -","- C62 H67 Br Cl10 Cu N P5 Re3 S4 -","- C248 H268 Br4 Cl40 Cu4 N4 P20 Re12 S16 -","4","1","","Iijima, Kazuya; Sunaga, Tomoaki; Hirose, Masaya; Saito, Taro","Synthesis and Characterization of Rhenium−Copper Sulfide Cluster Complexes [(Ph3P)2N][Re3(CuX)(μ3-S)4Cl6(PMe2Ph)3] (X = Cl, Br, I)","Inorganic Chemistry","2006","45","8","3452","3455","10.1021/ic052135h","","","0.71073","MoKα","","0.0759","0.0553","","","0.1297","0.1427","","","","","","1.064","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332069","11.1274","0.0005","14.6445","0.0006","45.975","0.002","90","","96.865","0.001","90","","7438.2","0.6","273","2","173","","","","","","","","local laboratory","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H67 Cl11 Cu N P5 Re3 S4 -","- C62 H67 Cl11 Cu N P5 Re3 S4 -","- C248 H268 Cl44 Cu4 N4 P20 Re12 S16 -","4","1","","Iijima, Kazuya; Sunaga, Tomoaki; Hirose, Masaya; Saito, Taro","Synthesis and Characterization of Rhenium−Copper Sulfide Cluster Complexes [(Ph3P)2N][Re3(CuX)(μ3-S)4Cl6(PMe2Ph)3] (X = Cl, Br, I)","Inorganic Chemistry","2006","45","8","3452","3455","10.1021/ic052135h","","","0.71073","MoKα","","0.1048","0.0614","","","0.1257","0.144","","","","","","1.038","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332070","13.9094","0.0009","13.9094","0.0009","21.604","0.002","90","","90","","120","","3619.8","0.5","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","cerium iron sulfide chloride","cerium iron sulfide chloride","","- Ce53 Cl3 Fe12 S90 -","- Ce53.34 Cl3.06 Fe12 S90 -","- Ce53.34 Cl3.06 Fe12 S90 -","1","0.0277778","","Mills, Allison M.; Ruck, Michael","Ce53Fe12S90X3(X = Cl, Br, I): The First Rare-Earth Transition-Metal Sulfide Halides","Inorganic Chemistry","2006","45","13","5172","5178","10.1021/ic0521372","","","0.71073","MoKα","","0.0497","0.0451","","","0.1168","0.1196","","","","","","1.067","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332071","13.916","0.001","13.916","0.001","21.824","0.002","90","","90","","120","","3660.1","0.5","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","cerium iron sulfide bromide","cerium iron sulfide bromide","","- Br3 Ce53 Fe12 S90 -","- Br3.06 Ce52.9626 Fe12 S90 -","- Br3.06 Ce52.9626 Fe12 S90 -","1","0.0277778","","Mills, Allison M.; Ruck, Michael","Ce53Fe12S90X3(X = Cl, Br, I): The First Rare-Earth Transition-Metal Sulfide Halides","Inorganic Chemistry","2006","45","13","5172","5178","10.1021/ic0521372","","","0.71073","MoKα","","0.0352","0.0324","","","0.0766","0.0779","","","","","","1.247","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332072","13.863","0.003","13.863","0.003","21.944","0.006","90","","90","","120","","3652.3","1.5","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","cerium iron sulfide iodide","cerium iron sulfide iodide","","- Ce53 Fe12 I3 S90 -","- Ce52.9536 Fe12 I3 S90 -","- Ce52.9536 Fe12 I3 S90 -","1","0.0277778","","Mills, Allison M.; Ruck, Michael","Ce53Fe12S90X3(X = Cl, Br, I): The First Rare-Earth Transition-Metal Sulfide Halides","Inorganic Chemistry","2006","45","13","5172","5178","10.1021/ic0521372","","","0.71073","MoKα","","0.0333","0.0332","","","0.0776","0.0777","","","","","","1.212","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332073","9.5426","0.0003","23.3976","0.001","20.4094","0.0006","90","","95.74","0.002","90","","4534","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Al N2 S2 Sn -","- C48.57 H59 Al N2 S2 Sn -","- C194.28 H236 Al4 N8 S8 Sn4 -","4","1","","Yang, Zhi; Ma, Xiaoli; Jancik, Vojtech; Zhang, Zhensheng; Roesky, Herbert W.; Magull, Jörg; Noltemeyer, Mathias; Schmidt, Hans-Georg; Cea-Olivares, Raymundo; Toscano, Rubén A.","Synthesis and Characterization of Aluminum-Containing Tin(IV) Heterobimetallic Sulfides","Inorganic Chemistry","2006","45","8","3312","3315","10.1021/ic052139m","","","0.71073","MoKα","","0.0443","0.0312","","","0.076","0.0795","","","","","","0.988","","","","has coordinates","189833","2020-10-21","18:00:00",""
"4332074","10.502","0.002","26.736","0.004","12.615","0.003","90","","104.74","0.03","90","","3425.5","1.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 Al N2 S2 Sn -","- C31 H47 Al N2 S2 Sn -","- C124 H188 Al4 N8 S8 Sn4 -","4","1","","Yang, Zhi; Ma, Xiaoli; Jancik, Vojtech; Zhang, Zhensheng; Roesky, Herbert W.; Magull, Jörg; Noltemeyer, Mathias; Schmidt, Hans-Georg; Cea-Olivares, Raymundo; Toscano, Rubén A.","Synthesis and Characterization of Aluminum-Containing Tin(IV) Heterobimetallic Sulfides","Inorganic Chemistry","2006","45","8","3312","3315","10.1021/ic052139m","","","0.71073","MoKα","","0.0586","0.0446","","","0.1034","0.1106","","","","","","1.037","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332075","8.8077","0.0018","13.28","0.003","17.283","0.004","79.57","0.03","75.42","0.03","87.69","0.03","1924.1","0.8","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H55 Al N2 S2 Sn -","- C38 H55 Al N2 S2 Sn -","- C76 H110 Al2 N4 S4 Sn2 -","2","1","","Yang, Zhi; Ma, Xiaoli; Jancik, Vojtech; Zhang, Zhensheng; Roesky, Herbert W.; Magull, Jörg; Noltemeyer, Mathias; Schmidt, Hans-Georg; Cea-Olivares, Raymundo; Toscano, Rubén A.","Synthesis and Characterization of Aluminum-Containing Tin(IV) Heterobimetallic Sulfides","Inorganic Chemistry","2006","45","8","3312","3315","10.1021/ic052139m","","","0.71073","MoKα","","0.0352","0.0274","","","0.0677","0.07","","","","","","1.017","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4332076","12.3419","0.0003","18.6037","0.0007","30.7624","0.0009","90","","92.437","0.002","90","","7056.8","0.4","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72.5 H102 Al2 N4 O S4 Sn -","- C72.5 H102 Al2 N4 O S4 Sn -","- C290 H408 Al8 N16 O4 S16 Sn4 -","4","1","","Yang, Zhi; Ma, Xiaoli; Jancik, Vojtech; Zhang, Zhensheng; Roesky, Herbert W.; Magull, Jörg; Noltemeyer, Mathias; Schmidt, Hans-Georg; Cea-Olivares, Raymundo; Toscano, Rubén A.","Synthesis and Characterization of Aluminum-Containing Tin(IV) Heterobimetallic Sulfides","Inorganic Chemistry","2006","45","8","3312","3315","10.1021/ic052139m","","","0.71073","MoKα","","0.1115","0.078","","","0.2297","0.2509","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332077","4.0321","0.0004","5.3929","0.0005","20.556","0.002","90","","90","","90","","446.98","0.07","153","2","153","2","","","","","","","","3","I m m m","-I 2 2","71","potassium diuranium hexasulfide","","","- K0.91 S6 U1.79 -","- K0.91 S6 U1.794 -","- K1.82 S12 U3.588 -","2","0.125","","Mizoguchi, Hiroshi; Gray, Danielle; Huang, Fu Qiang; Ibers, James A.","Structures and Bonding in K0.91U1.79S6and KU2Se6","Inorganic Chemistry","2006","45","8","3307","3311","10.1021/ic052140l","","","0.71073","MoKα","","0.0255","0.0248","","","0.0577","0.0582","","","","","","1.125","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332078","4.0586","0.0006","5.5578","0.0008","21.683","0.003","90","","90","","90","","489.1","0.12","153","2","153","2","","","","","","","","3","I m m m","-I 2 2","71","","potassium diuranium hexaselenide","","- K Se6 U2 -","- K Se6 U2 -","- K2 Se12 U4 -","2","0.125","","Mizoguchi, Hiroshi; Gray, Danielle; Huang, Fu Qiang; Ibers, James A.","Structures and Bonding in K0.91U1.79S6and KU2Se6","Inorganic Chemistry","2006","45","8","3307","3311","10.1021/ic052140l","","","0.71073","MoKα","","0.0206","0.0204","","","0.0564","0.0564","","","","","","1.648","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332079","15.4018","0.0005","21.1932","0.0008","22.0487","0.0008","90","","103.459","0.001","90","","6999.3","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H55 N20 Nb5 O7.5 S16 -","- C26 N20 Nb5 O7.5 S16 -","- C104 N80 Nb20 O30 S64 -","4","1","","Ooi, Bee-Lean; Søtofte, Inger; Sokolov, Maxim N.; Kozlova, Svetlana G.; Rasmussen, Søren B.; Nielsen, Loa C.; Henriksen, Jonas","Preparation, Properties, and Reactivities of Unprecedented Oxo-Sulfido Nb(IV) Aqua Ions and Crystal Structure of (Me2NH2)6[Nb5(μ3-S)2(μ3-O)2(μ2-O)2(NCS)14]·3.5H2O","Inorganic Chemistry","2006","45","13","5008","5017","10.1021/ic052145i","","","0.71073","MoKα","","0.0992","0.0659","","","0.179","0.2033","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332080","11.995","0.002","15.612","0.003","16.549","0.003","86.96","0.03","77.81","0.03","84.53","0.03","3013.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H59 N6 O8.5 Tb -","- C71 H58 N6 O8.5 Tb -","- C142 H116 N12 O17 Tb2 -","2","1","","Shen, Li; Shi, Mei; Li, Fuyou; Zhang, Dengqing; Li, Xianghong; Shi, Enxian; Yi, Tao; Du, Yukou; Huang, Chunhui","Polyaryl Ether Dendrimer with a 4-Phenylacetyl-5-pyrazolone-based Terbium(III) Complex as Core: Synthesis and Photopysical Properties","Inorganic Chemistry","2006","45","16","6188","6197","10.1021/ic052148v","","","0.71073","MoKα","","0.1074","0.0585","","","0.1208","0.1393","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332081","13.374","0.0012","17.2653","0.0015","21.2036","0.0018","92.836","0.001","105.269","0.001","91.185","0.001","4714.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H93 N6 O15 Tb -","- C111 H87 N6 O15 Tb -","- C222 H174 N12 O30 Tb2 -","2","1","","Shen, Li; Shi, Mei; Li, Fuyou; Zhang, Dengqing; Li, Xianghong; Shi, Enxian; Yi, Tao; Du, Yukou; Huang, Chunhui","Polyaryl Ether Dendrimer with a 4-Phenylacetyl-5-pyrazolone-based Terbium(III) Complex as Core: Synthesis and Photopysical Properties","Inorganic Chemistry","2006","45","16","6188","6197","10.1021/ic052148v","","","0.71073","MoKα","","0.0681","0.0439","","","0.1076","0.1253","","","","","","1.049","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332082","12.462","0.003","20.616","0.004","23.966","0.005","113.35","0.03","94.5","0.03","92.09","0.03","5620","2","150","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C3 H58 K Na9 Ni7 O108 Si2 W19 -","- C3 K Na9 Ni7 O108 Si2 W19 -","- C6 K2 Na18 Ni14 O216 Si4 W38 -","2","1","","Zhang, Zhiming; Li, Yangguang; Wang, Enbo; Wang, Xinlong; Qin, Chao; An, Haiyan","Synthesis, Characterization, and Crystal Structures of Two Novel High-Nuclear Nickel-Substituted Dimeric Polyoxometalates","Inorganic Chemistry","2006","45","11","4313","4315","10.1021/ic052149n","","","0.71073","MoKα","","0.1221","0.0738","","","0.1829","0.2159","","","","","","1.048","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332083","19.58","0.004","22.55","0.005","22.521","0.005","90","","101.22","0.03","90","","9754","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- H53 K6 Na4 Ni6 O95.5 Si2 W18 -","- K6 Na4 Ni6 O95.5 Si2 W18 -","- K24 Na16 Ni24 O382 Si8 W72 -","4","1","","Zhang, Zhiming; Li, Yangguang; Wang, Enbo; Wang, Xinlong; Qin, Chao; An, Haiyan","Synthesis, Characterization, and Crystal Structures of Two Novel High-Nuclear Nickel-Substituted Dimeric Polyoxometalates","Inorganic Chemistry","2006","45","11","4313","4315","10.1021/ic052149n","","","0.71073","MoKα","","0.1051","0.061","","","0.1416","0.1643","","","","","","1.032","","","","has coordinates,has disorder","289031","2024-01-11","08:36:03",""
"4332084","10.1584","0.0004","13.8447","0.0005","6.4644","0.0002","90","","94.6897","0.0013","90","","906.11","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 Fe N7 O2 -","- C3 H9 Fe N7 O2 -","- C12 H36 Fe4 N28 O8 -","4","1","","Liu, Tao; Zhang, Yanjuan; Wang, Zheming; Gao, Song","Two Chain Compounds of [M(N3)2(HCOO)][(CH3)2NH2] (M = Fe and Co) with a Mixed Azido/Formato Bridge Displaying Metamagnetic Behavior","Inorganic Chemistry","2006","45","7","2782","2784","10.1021/ic0521527","","","0.71073","MoKα","","0.0854","0.0331","","","0.0651","0.0715","","","","","","0.942","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332085","10.0878","0.0005","13.8377","0.0005","6.41","0.0002","90","","94.6525","0.0014","90","","891.84","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 Co N7 O2 -","- C3 H9 Co N7 O2 -","- C12 H36 Co4 N28 O8 -","4","1","","Liu, Tao; Zhang, Yanjuan; Wang, Zheming; Gao, Song","Two Chain Compounds of [M(N3)2(HCOO)][(CH3)2NH2] (M = Fe and Co) with a Mixed Azido/Formato Bridge Displaying Metamagnetic Behavior","Inorganic Chemistry","2006","45","7","2782","2784","10.1021/ic0521527","","","0.71073","MoKα","","0.0893","0.0343","","","0.0678","0.0755","","","","","","0.943","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332086","20.7791","0.001","12.0944","0.0006","10.7761","0.0005","90","","90","","90","","2708.1","0.2","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- Co2 In2 O26 Rb6 Si9 -","- Co2 In2 O26 Rb6 Si9 -","- Co8 In8 O104 Rb24 Si36 -","4","","","Hung, Ling-I; Wang, Sue-Lein; Chen, Yen-Hung; Lii, Kwang-Hwa","Rb6(InCo)2(Si9O26): A Mixed-Metal Silicate Containing 20-Membered-Ring Silicate Single Layers with a Very Low Si:O Ratio","Inorganic Chemistry","2006","45","5","2100","2103","10.1021/ic052154r","","","0.71073","MoKα","","0.0235","0.0216","","","0.0465","0.0469","","","","","","0.961","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332087","18.688","0.002","27.301","0.003","15.2265","0.0019","90","","111.696","0.002","90","","7218.2","1.4","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C54 H107 Cl4 Fe3 Mo N8 O2 P S4 -","- C57.83 H50 Cl4 Fe3 Mo N8.24 O2 P S4 -","- C231.32 H200 Cl16 Fe12 Mo4 N32.96 O8 P4 S16 -","4","1","","Koutmos, Markos; Georgakaki, Irene P.; Coucouvanis, Dimitri","Borohydride, Azide, and Chloride Anions As Terminal Ligands on Fe/Mo/S Clusters. Synthesis, Structure and Characterization of [(Cl4-cat)(PPr3) MoFe3S4(X)2]2(Bu4N)4and [(Cl4-cat)(PPr3)MoFe3S4(PPr3)(X)]2(Bu4N)2(X = N3-, BH4-, Cl-) Double-Fused Cubanes. NMR Reactivity Studies of [(Cl4-cat)(PPr3) MoFe3S4(BH4)2]2(Bu4N)4","Inorganic Chemistry","2006","45","9","3648","3656","10.1021/ic052156b","","","0.71073","MoKα","","0.1531","0.0889","","","0.2293","0.2914","","","","","","1.093","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332088","13.9468","0.0017","17.381","0.002","25.858","0.003","90","","95.866","0.002","90","","6235.4","1.3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C47 H86 Cl4 Fe3 Mo N4 O2 P2 S4 -","- C47 H86 Cl4 Fe3 Mo N4 O2 P2 S4 -","- C188 H344 Cl16 Fe12 Mo4 N16 O8 P8 S16 -","4","1","","Koutmos, Markos; Georgakaki, Irene P.; Coucouvanis, Dimitri","Borohydride, Azide, and Chloride Anions As Terminal Ligands on Fe/Mo/S Clusters. Synthesis, Structure and Characterization of [(Cl4-cat)(PPr3) MoFe3S4(X)2]2(Bu4N)4and [(Cl4-cat)(PPr3)MoFe3S4(PPr3)(X)]2(Bu4N)2(X = N3-, BH4-, Cl-) Double-Fused Cubanes. NMR Reactivity Studies of [(Cl4-cat)(PPr3) MoFe3S4(BH4)2]2(Bu4N)4","Inorganic Chemistry","2006","45","9","3648","3656","10.1021/ic052156b","","","0.71073","MoKα","","0.0755","0.0417","","","0.0938","0.1073","","","","","","1.025","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332089","18.789","0.009","18.67","0.009","13.06","0.006","90","","91.088","0.008","90","","4580","4","158","2","158","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C31 H61 Cl6 Fe3 Mo N2 O2 P S4 -","- C31 H61 Cl6 Fe3 Mo N2 O2 P S4 -","- C124 H244 Cl24 Fe12 Mo4 N8 O8 P4 S16 -","4","1","","Koutmos, Markos; Georgakaki, Irene P.; Coucouvanis, Dimitri","Borohydride, Azide, and Chloride Anions As Terminal Ligands on Fe/Mo/S Clusters. Synthesis, Structure and Characterization of [(Cl4-cat)(PPr3) MoFe3S4(X)2]2(Bu4N)4and [(Cl4-cat)(PPr3)MoFe3S4(PPr3)(X)]2(Bu4N)2(X = N3-, BH4-, Cl-) Double-Fused Cubanes. NMR Reactivity Studies of [(Cl4-cat)(PPr3) MoFe3S4(BH4)2]2(Bu4N)4","Inorganic Chemistry","2006","45","9","3648","3656","10.1021/ic052156b","","","0.71073","MoKα","","0.0872","0.0433","","","0.0937","0.1094","","","","","","1.044","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332090","13.525","0.003","17.705","0.005","25.93","0.007","90","","96.793","0.004","90","","6166","3","150","2","150","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C46 H96 B Cl4 Fe3 Mo N O2 P2 S4 -","- C44 H73.8 B Cl4 Fe3 Mo N O2 P2 S4 -","- C176 H295.2 B4 Cl16 Fe12 Mo4 N4 O8 P8 S16 -","4","1","","Koutmos, Markos; Georgakaki, Irene P.; Coucouvanis, Dimitri","Borohydride, Azide, and Chloride Anions As Terminal Ligands on Fe/Mo/S Clusters. Synthesis, Structure and Characterization of [(Cl4-cat)(PPr3) MoFe3S4(X)2]2(Bu4N)4and [(Cl4-cat)(PPr3)MoFe3S4(PPr3)(X)]2(Bu4N)2(X = N3-, BH4-, Cl-) Double-Fused Cubanes. NMR Reactivity Studies of [(Cl4-cat)(PPr3) MoFe3S4(BH4)2]2(Bu4N)4","Inorganic Chemistry","2006","45","9","3648","3656","10.1021/ic052156b","","","0.71073","MoKα","","0.1409","0.0811","","","0.2119","0.2569","","","","","","1.072","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332091","12.276","0.002","21.942","0.004","21.119","0.004","90","","103.55","0.03","90","","5530.3","1.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H84 Bi2 N8 -","- C55 H84 Bi2 N8 -","- C220 H336 Bi8 N32 -","4","1","","Balazs, Lucia; Breunig, Hans J.; Lork, Enno; Soran, Albert; Silvestru, Cristian","Isomers of a Dibismuthane, R2Bi−BiR2[R = 2,6-(Me2NCH2)2C6H3], and Unusual Reactions with Oxygen: Formation of [R2Bi]2(O2) and R‘R‘ ‘Bi [R‘ = 2-(Me2NCH2)-6-{Me2N(O)CH2}C6H3; R‘ ‘ = 2-(Me2NCH2)-6-{O(O)C}C6H3]","Inorganic Chemistry","2006","45","5","2341","2346","10.1021/ic052160n","","","0.71073","MoKα","","0.0679","0.0384","","","0.0889","0.0969","","","","","","0.909","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332092","11.242","0.002","21.154","0.004","22.509","0.004","95.49","0.02","90.68","0.01","98.2","0.01","5272.1","1.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H81 Bi2 N8 O0.5 -","- C50 H81 Bi2 N8 O0.5 -","- C200 H324 Bi8 N32 O2 -","4","2","","Balazs, Lucia; Breunig, Hans J.; Lork, Enno; Soran, Albert; Silvestru, Cristian","Isomers of a Dibismuthane, R2Bi−BiR2[R = 2,6-(Me2NCH2)2C6H3], and Unusual Reactions with Oxygen: Formation of [R2Bi]2(O2) and R‘R‘ ‘Bi [R‘ = 2-(Me2NCH2)-6-{Me2N(O)CH2}C6H3; R‘ ‘ = 2-(Me2NCH2)-6-{O(O)C}C6H3]","Inorganic Chemistry","2006","45","5","2341","2346","10.1021/ic052160n","","","0.71073","MoKα","","0.1377","0.0647","","","0.1134","0.1382","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332093","13.8948","0.0019","23.039","0.003","7.3397","0.001","90","","90","","90","","2349.6","0.5","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al14 Co5 Si2 -","- Al14 Co5 Si2 -","- Al112 Co40 Si16 -","8","1","","Wu, Xiuni; Latturner, Susan; Kanatzidis, Mercouri G.","Structurally Complex Cobalt Intermetallics Grown from Liquid Aluminum: Co19Al45Si10-x(x= 0.13) and Co5Al14Si2","Inorganic Chemistry","2006","45","14","5358","5366","10.1021/ic052165k","","","0.71073","MoKα","","0.0316","0.0268","","","0.064","0.0686","","","","","","1.066","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332094","19.991","0.002","19.143","0.002","12.8137","0.0015","90","","123.583","0.002","90","","4085.2","0.8","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Al45 Co19 Si10 -","- Al45 Co19 Si9.868 -","- Al180 Co76 Si39.472 -","4","0.5","","Wu, Xiuni; Latturner, Susan; Kanatzidis, Mercouri G.","Structurally Complex Cobalt Intermetallics Grown from Liquid Aluminum: Co19Al45Si10-x(x= 0.13) and Co5Al14Si2","Inorganic Chemistry","2006","45","14","5358","5366","10.1021/ic052165k","","","0.71073","MoKα","","0.0446","0.0326","","","0.0705","0.0746","","","","","","1.03","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332095","12.88","0.007","13.47","0.007","13.71","0.007","109.512","0.009","99.215","0.009","90.975","0.009","2207","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H64 Cl4 Fe2 Mn2 N20 O16 -","- C84 H64 Cl4 Fe2 Mn2 N20 O16 -","- C84 H64 Cl4 Fe2 Mn2 N20 O16 -","1","0.5","","Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu; Gao, Song","Synthesis, Structures, and Magnetic Properties of a Series of Cyano-Bridged Fe−Mn Bimetallic Complexes","Inorganic Chemistry","2006","45","13","5018","5026","10.1021/ic052168x","","","0.71073","MoKα","","0.1011","0.0741","","","0.202","0.2238","","","","","","1.045","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332096","14.035","0.004","16.305","0.005","19.747","0.006","90","","102.329","0.005","90","","4415","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H86 Cl4 Fe2 Mn2 N18 O27 -","- C63 H86 Cl4 Fe2 Mn2 N18 O27 -","- C126 H172 Cl8 Fe4 Mn4 N36 O54 -","2","0.5","","Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu; Gao, Song","Synthesis, Structures, and Magnetic Properties of a Series of Cyano-Bridged Fe−Mn Bimetallic Complexes","Inorganic Chemistry","2006","45","13","5018","5026","10.1021/ic052168x","","","0.71073","MoKα","","0.1438","0.0797","","","0.1994","0.2591","","","","","","1.038","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332097","13.609","0.005","14.672","0.005","23.23","0.008","90","","106.857","0.007","90","","4439","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H84 B4 Fe4 Mn2 N40 O12 -","- C60 H84 B4 Fe4 Mn2 N40 O12 -","- C120 H168 B8 Fe8 Mn4 N80 O24 -","2","0.5","","Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu; Gao, Song","Synthesis, Structures, and Magnetic Properties of a Series of Cyano-Bridged Fe−Mn Bimetallic Complexes","Inorganic Chemistry","2006","45","13","5018","5026","10.1021/ic052168x","","","0.71073","MoKα","","0.0766","0.0506","","","0.1239","0.1408","","","","","","1.093","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332098","27.329","0.004","12.4392","0.0016","12.9051","0.0017","90","","102.399","0.002","90","","4284.8","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 B2 Fe2 Mn N20 O2 -","- C30 H34 B2 Fe2 Mn N20 O2 -","- C120 H136 B8 Fe8 Mn4 N80 O8 -","4","0.5","","Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu; Gao, Song","Synthesis, Structures, and Magnetic Properties of a Series of Cyano-Bridged Fe−Mn Bimetallic Complexes","Inorganic Chemistry","2006","45","13","5018","5026","10.1021/ic052168x","","","0.71073","MoKα","","0.0471","0.035","","","0.1006","0.1092","","","","","","1.101","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332099","5.2647","0.0007","5.2647","0.0007","5.2647","0.0007","90","","90","","90","","145.92","0.03","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C3 Fe0.5 Mn0.5 N3 Na -","- C3 Fe0.5 Mn0.5 N3 Na -","- C3 Fe0.5 Mn0.5 N3 Na -","1","0.0208333","","Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu; Gao, Song","Synthesis, Structures, and Magnetic Properties of a Series of Cyano-Bridged Fe−Mn Bimetallic Complexes","Inorganic Chemistry","2006","45","13","5018","5026","10.1021/ic052168x","","","0.71073","MoKα","","0.0115","0.0115","","","0.0281","0.0281","","","","","","1.275","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332100","10.0989","0.0012","16.4065","0.0019","18.618","0.002","65.0239","0.0017","88.119","0.0019","75.6332","0.0018","2699.7","0.5","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H59 Cl Cu Mn N11 O2 -","- C51 H59 Cl Cu Mn N11 O2 -","- C102 H118 Cl2 Cu2 Mn2 N22 O4 -","2","1","","Zhong, Chang; Zhao, Min; Goslinski, Tomasz; Stern, Charlotte; Barrett, Anthony G. M.; Hoffman, Brian M.","Porphyrazines Peripherally Functionalized with Hybrid Ligands as Molecular Scaffolds for Bimetallic Metal-Ion Coordination","Inorganic Chemistry","2006","45","10","3983","3989","10.1021/ic052169p","","","0.71073","MoKα","","0.1108","0.0595","","","0.1502","0.1679","","","","","","0.885","","","","has coordinates,has disorder","179424","2020-10-21","18:00:00",""
"4332101","10.2066","0.0008","14.4351","0.0011","19.0479","0.0014","75.901","0.001","75.288","0.001","79.028","0.001","2607.8","0.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.75 H59.75 Cl2.25 Cu N11 O3 V -","- C51 H47 Cu N11 O3 V -","- C102 H94 Cu2 N22 O6 V2 -","2","1","","Zhong, Chang; Zhao, Min; Goslinski, Tomasz; Stern, Charlotte; Barrett, Anthony G. M.; Hoffman, Brian M.","Porphyrazines Peripherally Functionalized with Hybrid Ligands as Molecular Scaffolds for Bimetallic Metal-Ion Coordination","Inorganic Chemistry","2006","45","10","3983","3989","10.1021/ic052169p","","","0.71073","MoKα","","0.07","0.0536","","","0.1535","0.1658","","","","","","1.072","","","","has coordinates,has disorder","179424","2020-10-21","18:00:00",""
"4332102","22.917","0.004","13.574","0.002","18.374","0.003","90","","98.495","0.015","90","","5653","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H71 Cl Ga N2 P2 Rh -","- C65 H71 Cl Ga N2 P2 Rh -","- C260 H284 Cl4 Ga4 N8 P8 Rh4 -","4","1","","Kempter, Andreas; Gemel, Christian; Hardman, Ned J.; Fischer, Roland A.","Insertion of the Ga(I) Bis-imidinate Ga(DDP) into the Metal Halogen Bonds of Rh(I) Complexes. How Electrophilic Are Coordinated Ga(DDP) Fragments?†","Inorganic Chemistry","2006","45","7","3133","3138","10.1021/ic0521731","","","0.71073","MoKα","","0.0766","0.0564","","","0.119","0.1288","","","","","","1.103","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332103","10.487","0.005","11.495","0.005","16.571","0.004","87.85","0.03","87.03","0.03","76.08","0.04","1935.7","1.4","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H61 Cl Ga N2 Rh -","- C43 H61 Cl Ga N2 Rh -","- C86 H122 Cl2 Ga2 N4 Rh2 -","2","1","","Kempter, Andreas; Gemel, Christian; Hardman, Ned J.; Fischer, Roland A.","Insertion of the Ga(I) Bis-imidinate Ga(DDP) into the Metal Halogen Bonds of Rh(I) Complexes. How Electrophilic Are Coordinated Ga(DDP) Fragments?†","Inorganic Chemistry","2006","45","7","3133","3138","10.1021/ic0521731","","","0.71073","MoKα","","0.0625","0.0416","","","0.0878","0.0948","","","","","","0.954","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332104","21.552","0.004","21.554","0.004","23.484","0.005","70.225","0.018","74.204","0.016","82.393","0.014","9868","4","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H110 Au B F24 Ga2 N4 O2 -","- C98 H110 Au B F24 Ga2 N4 O2 -","- C392 H440 Au4 B4 F96 Ga8 N16 O8 -","4","2","","Kempter, Andreas; Gemel, Christian; Hardman, Ned J.; Fischer, Roland A.","Insertion of the Ga(I) Bis-imidinate Ga(DDP) into the Metal Halogen Bonds of Rh(I) Complexes. How Electrophilic Are Coordinated Ga(DDP) Fragments?†","Inorganic Chemistry","2006","45","7","3133","3138","10.1021/ic0521731","","","0.71073","MoKα","","0.204","0.0583","","","0.0745","0.107","","","","","","0.567","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332105","21.64","0.02","21.64","0.02","46.42","0.06","90","","90","","120","","18826","3","153","2","153","1","","","","","","","","9","R -3 :H","-R 3","148","","","","- C33 H36 B F6 N6 O2 P S2 W -","- C33 H36 B F6.02 N6 O2 P1.00333 S2 W -","- C594 H648 B18 F108.36 N108 O36 P18.06 S36 W18 -","18","1","","Seidel, Wolfram W.; Ibarra Arias, Maria D.; Schaffrath, Markus; Jahnke, Mareike C.; Hepp, Alexander; Pape, Tania","Molybdenum and Tungsten η2-Alkyne-1-thio Complexes Acting as Sulfur Donors in Homoleptic Werner Type Complexes with Nickel(II) and Palladium(II)","Inorganic Chemistry","2006","45","12","4791","4800","10.1021/ic052178y","","","0.71073","MoKα","","0.0772","0.0546","","","0.1556","0.168","","","","","","0.997","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332106","9.946","0.001","11.832","0.0011","15.2025","0.0015","88.173","0.002","78.319","0.002","79.183","0.002","1720.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H37 B Mo N6 O2 S2 -","- C33 H37 B Mo N6 O2 S2 -","- C66 H74 B2 Mo2 N12 O4 S4 -","2","1","","Seidel, Wolfram W.; Ibarra Arias, Maria D.; Schaffrath, Markus; Jahnke, Mareike C.; Hepp, Alexander; Pape, Tania","Molybdenum and Tungsten η2-Alkyne-1-thio Complexes Acting as Sulfur Donors in Homoleptic Werner Type Complexes with Nickel(II) and Palladium(II)","Inorganic Chemistry","2006","45","12","4791","4800","10.1021/ic052178y","","","0.71073","MoKα","","0.0647","0.0485","","","0.1203","0.1312","","","","","","0.935","","","","has coordinates,has disorder","179424","2020-10-21","18:00:00",""
"4332107","11.0754","0.0005","17.8315","0.0008","11.7455","0.0006","90","","108.49","0.001","90","","2199.89","0.18","153","1","153","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H50 B N6 O2 S2 W -","- C47 H50 B N6 O2 S2 W -","- C94 H100 B2 N12 O4 S4 W2 -","2","1","","Seidel, Wolfram W.; Ibarra Arias, Maria D.; Schaffrath, Markus; Jahnke, Mareike C.; Hepp, Alexander; Pape, Tania","Molybdenum and Tungsten η2-Alkyne-1-thio Complexes Acting as Sulfur Donors in Homoleptic Werner Type Complexes with Nickel(II) and Palladium(II)","Inorganic Chemistry","2006","45","12","4791","4800","10.1021/ic052178y","","","0.71073","MoKα","","0.0283","0.0267","","","0.062","0.0625","","","","","","1.007","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332108","17.3607","0.0013","18.2711","0.0013","25.002","0.0018","93.194","0.002","109.147","0.002","115.636","0.001","6570","0.8","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C111 H133 B6 F8 Mo4 N24 O9 Pd S8 -","- C111 H133 B6 F8 Mo4 N24 O9 Pd S8 -","- C222 H266 B12 F16 Mo8 N48 O18 Pd2 S16 -","2","1","","Seidel, Wolfram W.; Ibarra Arias, Maria D.; Schaffrath, Markus; Jahnke, Mareike C.; Hepp, Alexander; Pape, Tania","Molybdenum and Tungsten η2-Alkyne-1-thio Complexes Acting as Sulfur Donors in Homoleptic Werner Type Complexes with Nickel(II) and Palladium(II)","Inorganic Chemistry","2006","45","12","4791","4800","10.1021/ic052178y","","","0.71073","MoKα","","0.1465","0.0673","","","0.1352","0.1624","","","","","","0.958","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332109","33.8223","0.0018","13.0262","0.0016","22.0721","0.001","90","","114.412","0.004","90","","8855","1.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H58 B2 Cu2 F40 N8 O2 -","- C78 H58 B2 Cu2 F40 N8 O2 -","- C312 H232 B8 Cu8 F160 N32 O8 -","4","0.5","","Hatcher, Lanying Q.; Vance, Michael A.; Narducci Sarjeant, Amy A.; Solomon, Edward I.; Karlin, Kenneth D.","Copper−Dioxygen Adducts and the Side-on Peroxo Dicopper(II)/Bis(μ-oxo) Dicopper(III) Equilibrium: Significant Ligand Electronic Effects","Inorganic Chemistry","2006","45","7","3004","3013","10.1021/ic052185m","","","0.71073","MoKα","","0.1097","0.058","","","0.1425","0.1661","","","","","","0.997","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332110","21.1337","0.0007","16.5669","0.0008","22.6324","0.0007","90","","90","","90","","7924.1","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H25 B Cl Cu F20 N4 -","- C39 H25 B Cl Cu F20 N4 -","- C312 H200 B8 Cl8 Cu8 F160 N32 -","8","1","","Hatcher, Lanying Q.; Vance, Michael A.; Narducci Sarjeant, Amy A.; Solomon, Edward I.; Karlin, Kenneth D.","Copper−Dioxygen Adducts and the Side-on Peroxo Dicopper(II)/Bis(μ-oxo) Dicopper(III) Equilibrium: Significant Ligand Electronic Effects","Inorganic Chemistry","2006","45","7","3004","3013","10.1021/ic052185m","","","0.71073","MoKα","","0.0471","0.0381","","","0.0938","0.0992","","","","","","1.131","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332111","7.415","0.0009","12.3788","0.0015","16.445","0.002","90","","102.163","0.003","90","","1475.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N4 O2 -","- C13 H21 N4 O2 -","- C52 H84 N16 O8 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.133","0.0499","","","0.0703","0.093","","","","","","0.753","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332112","6.9064","0.0007","15.3562","0.0016","11.6709","0.0012","90","","104.993","0.002","90","","1195.6","0.2","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4,5,5-Tetramethyl-2-(1-methyl-1H-imidazol-5-yl)-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C11 H17 N4 O2 -","- C11 H17 N4 O2 -","- C44 H68 N16 O8 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.0354","0.0315","","","0.0794","0.082","","","","","","1.041","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332113","7.0316","0.0007","9.4201","0.0009","19.0925","0.0018","90","","90","","90","","1264.7","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N4 O2 -","- C11 H17 N4 O2 -","- C44 H68 N16 O8 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.0518","0.0488","","","0.1348","0.1383","","","","","","0.907","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332114","14.719","0.004","16.35","0.004","19.068","0.005","95.948","0.005","95.077","0.005","102.827","0.006","4421","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C66.5 H117 N4 Ni4 O23 -","- C66.5 H117 N4 Ni4 O23 -","- C133 H234 N8 Ni8 O46 -","2","1","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.1876","0.1141","","","0.2239","0.2569","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332115","13.825","0.002","23.858","0.003","14.466","0.002","90","","90.481","0.002","90","","4771.3","1.1","240","2","240","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C60 H116 Ni6 O28 -","- C60 H114 Ni6 O28 -","- C120 H228 Ni12 O56 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.0939","0.0644","","","0.1905","0.2143","","","","","","0.8","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332116","15.7597","0.0011","16.8559","0.0011","22.3097","0.0015","85.306","0.002","89.459","0.002","80.446","0.002","5824.6","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H159 N8 Ni7 O33 -","- C84 H141 N8 Ni7 O33 -","- C168 H282 N16 Ni14 O66 -","2","1","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.1529","0.0602","","","0.1145","0.1443","","","","","","0.764","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332117","14.4923","0.001","28.646","0.002","29.7401","0.0019","90","","92.773","0.002","90","","12332","1.4","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H159 N8 Ni7 O33 -","- C84 H139 N8 Ni7 O33 -","- C336 H556 N32 Ni28 O132 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.1771","0.0606","","","0.1496","0.192","","","","","","0.707","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332118","27.594","0.008","16.176","0.005","29.832","0.009","90","","114.979","0.006","90","","12070","6","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C83 H156 N8 Ni7 O33 -","- C83 H136 N8 Ni7 O33 -","- C332 H544 N32 Ni28 O132 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.1765","0.0826","","","0.1725","0.2088","","","","","","0.907","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332119","15.2765","0.0009","28.2207","0.0018","29.1264","0.0018","90","","102.757","0.001","90","","12246.8","1.3","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C87 H164 N8 Ni7 O33 -","- C87 H153 N8 Ni7 O33 -","- C348 H612 N32 Ni28 O132 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.0878","0.0602","","","0.169","0.1821","","","","","","1.016","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332120","14.183","0.003","16.52","0.003","26.826","0.005","104.476","0.004","90.556","0.005","114.503","0.004","5491.7","1.9","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H160 N2 Ni6 O31 -","- C82 H133 N2 Ni6 O31 -","- C164 H266 N4 Ni12 O62 -","2","1","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.1233","0.0683","","","0.1372","0.155","","","","","","0.917","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332121","15.0141","0.0011","26.636","0.002","26.912","0.002","90","","90","","90","","10762.5","1.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H140 Ni7 O34.5 -","- C68 H119 Ni7 O34.5 -","- C272 H476 Ni28 O138 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.0586","0.0491","","","0.1293","0.1343","","","","","","0.919","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332122","15.1272","0.0008","26.934","0.0015","27.2743","0.0016","90","","90","","90","","11112.5","1.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H140 Ni7 O34.5 -","- C68 H119 Ni7 O34.5 -","- C272 H476 Ni28 O138 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.0691","0.0543","","","0.1417","0.1486","","","","","","0.937","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332123","21.967","0.009","21.967","0.009","15.026","0.009","90","","90","","120","","6279","5","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C60 H114 Ni8 O30 -","- C60 H108 Ni8 O30 -","- C180 H324 Ni24 O90 -","3","0.166667","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.3487","0.0892","","","0.1858","0.2598","","","","","","0.817","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332124","24.3524","0.0014","17.6776","0.001","29.7789","0.0016","90","","90","","90","","12819.6","1.2","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C85 H170 Ni9 O43 -","- C85 H157 Ni9 O43 -","- C340 H628 Ni36 O172 -","4","0.5","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.0903","0.0622","","","0.1889","0.2091","","","","","","0.972","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332125","13.3978","0.0014","13.4764","0.0014","17.5502","0.0018","70.072","0.004","68.74","0.004","66.061","0.003","2628.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H90 Cu6 I8 P6 Pb -","- C108 H90 Cu6 I8 P6 Pb -","- C108 H90 Cu6 I8 P6 Pb -","1","0.5","","Fan, Le-Qing; Wu, Li-Ming; Chen, Ling","Syntheses, Crystal Structures, and Properties of Heterometallic Iodoplumbates: Bicubane, Ribbon, and Chain Configurations","Inorganic Chemistry","2006","45","8","3149","3151","10.1021/ic052211g","","","0.71073","Molybdenum","","0.0319","0.0293","","","0.0795","0.0807","","","","","","1.046","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332126","8.9561","0.0005","24.4637","0.0018","25.428","0.002","90","","99.424","0.003","90","","5496.1","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H88 Ag4 I12 N4 O4 P4 Pb4 -","- C84 H88 Ag4 I12 N4 O4 P4 Pb4 -","- C168 H176 Ag8 I24 N8 O8 P8 Pb8 -","2","0.5","","Fan, Le-Qing; Wu, Li-Ming; Chen, Ling","Syntheses, Crystal Structures, and Properties of Heterometallic Iodoplumbates: Bicubane, Ribbon, and Chain Configurations","Inorganic Chemistry","2006","45","8","3149","3151","10.1021/ic052211g","","","0.71073","Molybdenum","","0.0494","0.0402","","","0.0885","0.0956","","","","","","1.085","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332127","9.69","0.003","16.869","0.005","17.06","0.005","90","","102.974","0.004","90","","2717.4","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cu I4 N Pb -","- C16 H36 Cu I4 N Pb -","- C64 H144 Cu4 I16 N4 Pb4 -","4","1","","Fan, Le-Qing; Wu, Li-Ming; Chen, Ling","Syntheses, Crystal Structures, and Properties of Heterometallic Iodoplumbates: Bicubane, Ribbon, and Chain Configurations","Inorganic Chemistry","2006","45","8","3149","3151","10.1021/ic052211g","","","0.71073","Molybdenum","","0.0275","0.026","","","0.0645","0.0652","","","","","","1.048","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332128","13.534","0.0011","15.2811","0.0014","13.5539","0.0011","90","","93.727","0.001","90","","2797.2","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H72 Ag2 I8 N2 Pb2 -","- C32 H72 Ag2 I8 N2 Pb2 -","- C64 H144 Ag4 I16 N4 Pb4 -","2","1","","Fan, Le-Qing; Wu, Li-Ming; Chen, Ling","Syntheses, Crystal Structures, and Properties of Heterometallic Iodoplumbates: Bicubane, Ribbon, and Chain Configurations","Inorganic Chemistry","2006","45","8","3149","3151","10.1021/ic052211g","","","0.71073","Molybdenum","","0.0415","0.0363","","","0.0828","0.085","","","","","","1.023","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332129","9.7207","0.0005","14.3978","0.0007","11.6494","0.0006","90","","95.558","0.001","90","","1622.75","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphonicdichloride","","","- C15 H23 Cl2 O P -","- C15 H23 Cl2 O P -","- C60 H92 Cl8 O4 P4 -","4","1","","Chandrasekhar, Vadapalli; Sasikumar, Palani; Boomishankar, Ramamoorthy; Anantharaman, Ganapathi","Assembly of Lipophilic Tetranuclear (Cu4and Zn4) Molecular Metallophosphonates from 2,4,6-Triisopropylphenylphosponic Acid and Pyrazole Ligands","Inorganic Chemistry","2006","45","8","3344","3351","10.1021/ic060003y","","","0.71073","MoKα","","0.0326","0.0307","","","0.0814","0.0826","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332130","16.6243","0.0014","6.0677","0.0005","16.7285","0.0015","90","","110.597","0.001","90","","1579.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","organophosphonicacid","","","- C15 H23 O3 P -","- C15 H25 O3 P -","- C60 H100 O12 P4 -","4","1","","Chandrasekhar, Vadapalli; Sasikumar, Palani; Boomishankar, Ramamoorthy; Anantharaman, Ganapathi","Assembly of Lipophilic Tetranuclear (Cu4and Zn4) Molecular Metallophosphonates from 2,4,6-Triisopropylphenylphosponic Acid and Pyrazole Ligands","Inorganic Chemistry","2006","45","8","3344","3351","10.1021/ic060003y","","","0.71073","MoKα","","0.0597","0.0508","","","0.1309","0.1369","","","","","","1.067","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332131","12.4542","0.0019","13.852","0.002","22.939","0.004","86.679","0.003","89.099","0.003","88.595","0.003","3949.1","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Metal phosphonate","","","- C59 H94 Cl2 Cu4 N8 O16 P2 -","- C58.5 H95 Cl Cu4 N8 O16 P2 -","- C117 H190 Cl2 Cu8 N16 O32 P4 -","2","1","","Chandrasekhar, Vadapalli; Sasikumar, Palani; Boomishankar, Ramamoorthy; Anantharaman, Ganapathi","Assembly of Lipophilic Tetranuclear (Cu4and Zn4) Molecular Metallophosphonates from 2,4,6-Triisopropylphenylphosponic Acid and Pyrazole Ligands","Inorganic Chemistry","2006","45","8","3344","3351","10.1021/ic060003y","","","0.71073","MoKα","","0.093","0.0699","","","0.1863","0.1975","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332132","15.898","0.005","16.563","0.005","21.746","0.005","95.366","0.005","101.054","0.005","103.679","0.005","5402","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","mtallophosphate","","","- C95 H160 N12 O17 P4 Zn4 -","- C93 H125 N12 O15 P4 Zn4 -","- C186 H250 N24 O30 P8 Zn8 -","2","1","","Chandrasekhar, Vadapalli; Sasikumar, Palani; Boomishankar, Ramamoorthy; Anantharaman, Ganapathi","Assembly of Lipophilic Tetranuclear (Cu4and Zn4) Molecular Metallophosphonates from 2,4,6-Triisopropylphenylphosponic Acid and Pyrazole Ligands","Inorganic Chemistry","2006","45","8","3344","3351","10.1021/ic060003y","","","0.71069","MoKα","","0.1206","0.0771","","","0.1648","0.1856","","","","","","1.039","","","","has coordinates,has disorder","179424","2020-10-21","18:00:00",""
"4332133","18.407","0.0014","18.407","0.0014","22.544","0.003","90","","90","","120","","6615","1.1","123","2","123","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C12 H12 Cu3 N6 O40 P W12 -","- C12 H12 Cu3 N6 O40 P W12 -","- C72 H72 Cu18 N36 O240 P6 W72 -","6","0.166667","","Ren, Yan-Ping; Kong, Xiang-Jian; Hu, Xiang-Yang; Sun, Meng; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of Steric Hindrance of Organic Ligand on the Structure of Keggin-Based Coordination Polymer","Inorganic Chemistry","2006","45","10","4016","4023","10.1021/ic060004q","","","0.71073","MoKα","","0.0593","0.0582","","","0.1291","0.1297","","","","","","1.189","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332134","16.599","0.002","20.47","0.003","14.3757","0.0018","90","","90","","90","","4884.6","1.1","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C18 H24 Cu3 N6 O40 P W12 -","- C18 H24 Cu3 N6 O40 P W12 -","- C72 H96 Cu12 N24 O160 P4 W48 -","4","0.5","","Ren, Yan-Ping; Kong, Xiang-Jian; Hu, Xiang-Yang; Sun, Meng; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of Steric Hindrance of Organic Ligand on the Structure of Keggin-Based Coordination Polymer","Inorganic Chemistry","2006","45","10","4016","4023","10.1021/ic060004q","","","0.71073","MoKα","","0.0679","0.0638","","","0.1435","0.1457","","","","","","1.284","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332135","10.667","0.002","11.147","0.002","20.207","0.004","90.983","0.004","92.15","0.004","108.128","0.003","2280.8","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H21 Cu2 N5 O40 P W12 -","- C15 H21 Cu2 N5 O40 P W12 -","- C30 H42 Cu4 N10 O80 P2 W24 -","2","1","","Ren, Yan-Ping; Kong, Xiang-Jian; Hu, Xiang-Yang; Sun, Meng; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of Steric Hindrance of Organic Ligand on the Structure of Keggin-Based Coordination Polymer","Inorganic Chemistry","2006","45","10","4016","4023","10.1021/ic060004q","","","0.71073","MoKα","","0.0788","0.067","","","0.1488","0.1561","","","","","","1.097","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332136","16.45","0.003","20.17","0.004","14.244","0.003","90","","90","","90","","4726.1","1.6","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C18 H24 Cu3 Mo12 N6 O40 P -","- C18 H24 Cu3 Mo12 N6 O40 P -","- C72 H96 Cu12 Mo48 N24 O160 P4 -","4","0.5","","Ren, Yan-Ping; Kong, Xiang-Jian; Hu, Xiang-Yang; Sun, Meng; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of Steric Hindrance of Organic Ligand on the Structure of Keggin-Based Coordination Polymer","Inorganic Chemistry","2006","45","10","4016","4023","10.1021/ic060004q","","","0.71073","MoKα","","0.0743","0.0588","","","0.1238","0.1313","","","","","","1.064","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332137","18.2047","0.0013","18.2047","0.0013","23.637","0.003","90","","90","","120","","6784.1","1.1","123","2","123","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C12 H13 Ag3 N6 O40.5 P W12 -","- C12 H12 Ag3 N6 O40.5 P W12 -","- C72 H72 Ag18 N36 O243 P6 W72 -","6","0.333333","","Ren, Yan-Ping; Kong, Xiang-Jian; Hu, Xiang-Yang; Sun, Meng; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of Steric Hindrance of Organic Ligand on the Structure of Keggin-Based Coordination Polymer","Inorganic Chemistry","2006","45","10","4016","4023","10.1021/ic060004q","","","0.71073","MoKα","","0.0456","0.0442","","","0.1082","0.1092","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332138","5.041","0.003","16.805","0.008","21.958","0.011","90","","90","","90","","1860.2","1.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O2 S3 -","- C19 H22 O2 S3 -","- C76 H88 O8 S12 -","4","1","","Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Park, Ki-Min; Kim, Jae Sang; Lah, Myoung Soo; Lee, Shim Sung","Assembly of a Heterobinuclear 2-D Network: A Rare Example of Endo- and Exocyclic Coordination of PdII/AgIin a Single Macrocycle","Inorganic Chemistry","2006","45","9","3487","3489","10.1021/ic060005i","","","0.71073","MoKα","","0.1739","0.0656","","","0.1284","0.1759","","","","","","1.024","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332139","10.6041","0.0012","10.6566","0.0012","10.9529","0.0012","83.109","0.002","69.472","0.002","67.026","0.002","1067","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cl2 O2 Pd S3 -","- C19 H22 Cl2 O2 Pd S3 -","- C38 H44 Cl4 O4 Pd2 S6 -","2","1","","Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Park, Ki-Min; Kim, Jae Sang; Lah, Myoung Soo; Lee, Shim Sung","Assembly of a Heterobinuclear 2-D Network: A Rare Example of Endo- and Exocyclic Coordination of PdII/AgIin a Single Macrocycle","Inorganic Chemistry","2006","45","9","3487","3489","10.1021/ic060005i","","","0.71073","MoKα","","0.0756","0.0421","","","0.1117","0.1393","","","","","","1.009","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332140","10.0805","0.0005","16.1725","0.0008","32.1388","0.0017","90","","90","","90","","5239.5","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl2 O11 Pd S3 -","- C20 H25 Cl2 O11 Pd S3 -","- C160 H200 Cl16 O88 Pd8 S24 -","8","1","","Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Park, Ki-Min; Kim, Jae Sang; Lah, Myoung Soo; Lee, Shim Sung","Assembly of a Heterobinuclear 2-D Network: A Rare Example of Endo- and Exocyclic Coordination of PdII/AgIin a Single Macrocycle","Inorganic Chemistry","2006","45","9","3487","3489","10.1021/ic060005i","","","0.71073","MoKα","","0.1132","0.0464","","","0.104","0.1418","","","","","","1.051","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332141","17.3504","0.0017","7.7177","0.0008","38.05","0.004","90","","93.483","0.002","90","","5085.7","0.9","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Ag N3 O11 Pd S3 -","- C19 H22 Ag N3 O11 Pd S3 -","- C152 H176 Ag8 N24 O88 Pd8 S24 -","8","1","","Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Park, Ki-Min; Kim, Jae Sang; Lah, Myoung Soo; Lee, Shim Sung","Assembly of a Heterobinuclear 2-D Network: A Rare Example of Endo- and Exocyclic Coordination of PdII/AgIin a Single Macrocycle","Inorganic Chemistry","2006","45","9","3487","3489","10.1021/ic060005i","","","0.71073","MoKα","","0.0965","0.057","","","0.1329","0.1538","","","","","","1.103","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332142","16.81","0.003","13.98","0.003","16.714","0.003","90","","90","","90","","3927.9","1.3","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C26 H18 Cl6 F6 N4 O10 Ru2 S2 -","- C26 H18 Cl6 F6 N4 O10 Ru2 S2 -","- C104 H72 Cl24 F24 N16 O40 Ru8 S8 -","4","0.5","","Patra, Sanjib K.; Sadhukhan, Nabanita; Bera, Jitendra K.","Effects of Axial Coordination on the Ru−Ru Single Bond in Diruthenium Paddlewheel Complexes","Inorganic Chemistry","2006","45","10","4007","4015","10.1021/ic0600073","","","0.71073","MoKα","","0.0647","0.0581","","","0.1318","0.1353","","","","","","1.172","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332143","12.336","0.003","18.35","0.004","13.887","0.003","90","","108.01","0.03","90","","2989.5","1.3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C28 H16 B2 F8 N4 O6 Ru2 -","- C28 H16 B2 F8 N4 O6 Ru2 -","- C112 H64 B8 F32 N16 O24 Ru8 -","4","1","","Patra, Sanjib K.; Sadhukhan, Nabanita; Bera, Jitendra K.","Effects of Axial Coordination on the Ru−Ru Single Bond in Diruthenium Paddlewheel Complexes","Inorganic Chemistry","2006","45","10","4007","4015","10.1021/ic0600073","","","0.71073","MoKα","","0.0574","0.0534","","","0.1128","0.115","","","","","","1.095","","","","has coordinates,has disorder","179424","2020-10-21","18:00:00",""
"4332144","24.253","0.005","8.804","0.005","16.993","0.005","90","0.005","124.391","0.005","90","0.005","2994","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 Cl2 N6 O12 Ru2 S2 -","- C26 H14 Cl2 N6 O12 Ru2 S2 -","- C104 H56 Cl8 N24 O48 Ru8 S8 -","4","0.5","","Patra, Sanjib K.; Sadhukhan, Nabanita; Bera, Jitendra K.","Effects of Axial Coordination on the Ru−Ru Single Bond in Diruthenium Paddlewheel Complexes","Inorganic Chemistry","2006","45","10","4007","4015","10.1021/ic0600073","","","0.71069","MoKα","","0.0348","0.0324","","","0.0751","0.0765","","","","","","1.083","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332145","13.902","0.003","25.634","0.005","14.045","0.003","90","","93.05","0.03","90","","4998","1.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Ru2(pynp)2(CO)4(OTf)2","","","- C48 H36 F6 N8 O10 Ru2 S2 -","- C48 H36 F6 N8 O10 Ru2 S2 -","- C192 H144 F24 N32 O40 Ru8 S8 -","4","1","","Patra, Sanjib K.; Sadhukhan, Nabanita; Bera, Jitendra K.","Effects of Axial Coordination on the Ru−Ru Single Bond in Diruthenium Paddlewheel Complexes","Inorganic Chemistry","2006","45","10","4007","4015","10.1021/ic0600073","","","0.71073","MoKα","","0.0899","0.0631","","","0.1564","0.1714","","","","","","1.049","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332146","11.302","0.002","16.654","0.003","17.177","0.003","85.69","0.03","85.53","0.03","86.1","0.03","3207.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 N6 O4 Ru2 -","- C37 H25 N6 O4 Ru2 -","- C148 H100 N24 O16 Ru8 -","4","2","","Patra, Sanjib K.; Sadhukhan, Nabanita; Bera, Jitendra K.","Effects of Axial Coordination on the Ru−Ru Single Bond in Diruthenium Paddlewheel Complexes","Inorganic Chemistry","2006","45","10","4007","4015","10.1021/ic0600073","","","0.71073","MoKα","","0.0666","0.0565","","","0.1418","0.1488","","","","","","1.046","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332147","24.739","0.0002","24.71841","0.00019","24.7431","0.0002","90","","90","","90","","15130.6","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Zirconium pyrophosphate","Zirconium pyrophosphate","","- O7 P2 Zr -","- O7 P2 Zr -","- O756 P216 Zr108 -","108","13.5","","Birkedal, Henrik; Krogh Andersen, Anne Marie; Arakcheeva, Alla; Chapuis, Gervais; Norby, Poul; Pattison, Philip","The Room-Temperature Superstructure of ZrP2O7Is Orthorhombic: There Are No Unusual 180° P−O−P Bond Angles","Inorganic Chemistry","2006","45","11","4346","4351","10.1021/ic0600174","","","0.71073","synchrotron","","0.0645","0.0493","","","0.1522","0.1619","","","","","","1.082","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332148","13.1549","0.0015","13.4828","0.0015","17.764","0.002","77.282","0.002","87.337","0.002","86.216","0.002","3065.1","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H89.5 Al2 N4 O4.75 -","- C61 H89.5 Al2 N4 O4.75 -","- C122 H179 Al4 N8 O9.5 -","2","1","","Li, Xiaofei; Song, Haibin; Duan, Lili; Cui, Chunming; Roesky, Herbert W.","C−H-Activated Aluminum Hydroxide via Molecular Oxygen","Inorganic Chemistry","2006","45","5","1912","1914","10.1021/ic0600230","","","0.71073","MoKα","","0.1185","0.0626","","","0.1715","0.2153","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332149","24.644","0.003","24.644","0.003","24.644","0.003","90","","90","","90","","14967","3","294","2","294","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C6 H13 Cu3 N9 O8 -","- C6 H6 Cu3 N9 O8 -","- C192 H192 Cu96 N288 O256 -","32","0.166667","","Ding, Bin; Yi, Long; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis and Characterization of a 3D Coordination Polymer Based on Trinuclear Triangular CuIIas Secondary Building Units","Inorganic Chemistry","2006","45","15","5799","5803","10.1021/ic060030o","","","0.71073","MoKα","","0.0433","0.0378","","","0.1152","0.1183","","","","","","1.218","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332150","15.261","0.008","15.416","0.008","12.883","0.008","90","","94.87","0.02","90","","3020","3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 O7 W -","- C13 H14 O7 W -","- C104 H112 O56 W8 -","8","1","","Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.","Bis(acetylacetonato)tricarbonyl Tungsten(II): A Convenient Precursor to Chiral Bis(acac) Tungsten(II) Complexes","Inorganic Chemistry","2006","45","16","6205","6213","10.1021/ic0600329","","","0.71073","MoKα","","0.0689","0.0379","","","0.0709","0.0837","","","","","","1.083","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332151","12.891","0.002","9.4512","0.0017","15.714","0.003","90","","105.093","0.003","90","","1848.5","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 O6 P W -","- C15 H23 O6 P W -","- C60 H92 O24 P4 W4 -","4","1","","Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.","Bis(acetylacetonato)tricarbonyl Tungsten(II): A Convenient Precursor to Chiral Bis(acac) Tungsten(II) Complexes","Inorganic Chemistry","2006","45","16","6205","6213","10.1021/ic0600329","","","0.71073","MoKα","","0.0436","0.0353","","","0.0607","0.0615","","","","","","2.108","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332152","8.4393","0.0004","20.2238","0.001","11.1917","0.0004","90","","106.649","0.003","90","","1830.06","0.14","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 O5 W -","- C19 H22 O5 W -","- C76 H88 O20 W4 -","4","1","","Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.","Bis(acetylacetonato)tricarbonyl Tungsten(II): A Convenient Precursor to Chiral Bis(acac) Tungsten(II) Complexes","Inorganic Chemistry","2006","45","16","6205","6213","10.1021/ic0600329","","","0.71073","MolybdenumKα","","0.044","0.032","","0.141","0.039","","","","","1.31","1.31","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332153","9.5452","0.0002","9.8972","0.0002","16.9294","0.0004","98.517","0.001","91.869","0.001","91.631","0.001","1579.96","0.06","373","2","373","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 O4 W -","- C38 H34 O4 W -","- C76 H68 O8 W2 -","2","1","","Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.","Bis(acetylacetonato)tricarbonyl Tungsten(II): A Convenient Precursor to Chiral Bis(acac) Tungsten(II) Complexes","Inorganic Chemistry","2006","45","16","6205","6213","10.1021/ic0600329","","","0.71073","MoKα","","0.0145","0.0139","","","0.0341","0.0343","","","","","","1.031","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332154","38.858","0.007","7.144","0.001","13.278","0.003","90","","90","","90","","3686","1.2","100","2","100","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C22 H12 Br4 Fe O2 S12 Se4 -","- C22 H12 Br4 Fe O2 S12 Se4 -","- C88 H48 Br16 Fe4 O8 S48 Se16 -","4","0.5","","Fujiwara, Hideki; Hayashi, Toshiki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Li, Lin; Yokogawa, Keiichi; Yasuzuka, Syuma; Murata, Keizo; Mori, Takehiko","Magnetoresistance Effects Evidencing the π−d Interaction in Metallic Organic Conductors, (EDT-DSDTFVO)2•MX4(M = Fe, Ga; X = Cl, Br)","Inorganic Chemistry","2006","45","15","5712","5714","10.1021/ic060034t","","","0.7107","MoKα","","0.0662","0.0542","","","0.1452","0.157","","","","","","0.992","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332155","22.919","0.004","5.3529","0.0009","18.991","0.003","90","","108.937","0.003","90","","2203.8","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H64 N8 O28 P8 Ru4 -","- C20 H64 N8 O28 P8 Ru4 -","- C40 H128 N16 O56 P16 Ru8 -","2","0.25","","Liu, Bin; Yin, Ping; Yi,; Gao, Song; Zheng, Li-Min","Template- and pH-Directed Assembly of Diruthenium Diphosphonates with Different Topologies and Oxidation States","Inorganic Chemistry","2006","45","10","4205","4213","10.1021/ic060041h","","","0.71073","MoKα","","0.0852","0.0612","","","0.1064","0.1137","","","","","","1.111","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332156","5.5596","0.0007","19.343","0.003","13.0498","0.0017","90","","91.347","0.003","90","","1403","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H44 N4 O18 P4 Ru2 -","- C12 H44 N4 O18 P4 Ru2 -","- C24 H88 N8 O36 P8 Ru4 -","2","0.5","","Liu, Bin; Yin, Ping; Yi,; Gao, Song; Zheng, Li-Min","Template- and pH-Directed Assembly of Diruthenium Diphosphonates with Different Topologies and Oxidation States","Inorganic Chemistry","2006","45","10","4205","4213","10.1021/ic060041h","","","0.71073","MoKα","","0.0734","0.0424","","","0.0582","0.0632","","","","","","0.748","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332157","20.378","0.004","9.7947","0.0018","10.0517","0.0019","90","","90","","90","","2006.3","0.7","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C7 H23 N2 O15 P4 Ru2 -","- C7 H23 N2 O15 P4 Ru2 -","- C28 H92 N8 O60 P16 Ru8 -","4","1","","Liu, Bin; Yin, Ping; Yi,; Gao, Song; Zheng, Li-Min","Template- and pH-Directed Assembly of Diruthenium Diphosphonates with Different Topologies and Oxidation States","Inorganic Chemistry","2006","45","10","4205","4213","10.1021/ic060041h","","","0.71073","MoKα","","0.0482","0.0421","","","0.0849","0.0866","","","","","","1.125","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332158","9.792","0.002","10.147","0.002","12.077","0.003","66.126","0.004","67.096","0.004","88.068","0.004","999.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H25 N2 O14 P4 Ru2 -","- C9 H25 N2 O14 P4 Ru2 -","- C18 H50 N4 O28 P8 Ru4 -","2","1","","Liu, Bin; Yin, Ping; Yi,; Gao, Song; Zheng, Li-Min","Template- and pH-Directed Assembly of Diruthenium Diphosphonates with Different Topologies and Oxidation States","Inorganic Chemistry","2006","45","10","4205","4213","10.1021/ic060041h","","","0.71073","MoKα","","0.0894","0.0624","","","0.1302","0.1352","","","","","","1.076","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332159","5.4585","0.0008","19.101","0.003","14.0445","0.0019","90","","91.598","0.003","90","","1463.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H46 N4 O18 P4 Ru2 -","- C14 H46 N4 O18 P4 Ru2 -","- C28 H92 N8 O36 P8 Ru4 -","2","0.5","","Liu, Bin; Yin, Ping; Yi,; Gao, Song; Zheng, Li-Min","Template- and pH-Directed Assembly of Diruthenium Diphosphonates with Different Topologies and Oxidation States","Inorganic Chemistry","2006","45","10","4205","4213","10.1021/ic060041h","","","0.71073","MoKα","","0.1114","0.0598","","","0.0783","0.0892","","","","","","0.887","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332160","8.8604","0.0002","15.4093","0.0003","12.8625","0.0002","90","","94.493","0.001","90","","1750.75","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Co N8 -","- C18 H12 Co N8 -","- C72 H48 Co4 N32 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Guerra, Francesca; Julve, Miguel; Lloret, Francesc","Ligand Effects on the Structures of Extended Networks of Dicyanamide-Containing Transition-Metal Ions","Inorganic Chemistry","2006","45","12","4626","4636","10.1021/ic060044u","","","0.71073","MoKα","","0.0468","0.0336","","","0.0975","0.1097","","","","","","1.075","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332161","8.8725","0.0004","15.3131","0.0007","12.8028","0.0006","90","","93.926","0.002","90","","1735.38","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N8 Ni -","- C18 H12 N8 Ni -","- C72 H48 N32 Ni4 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Guerra, Francesca; Julve, Miguel; Lloret, Francesc","Ligand Effects on the Structures of Extended Networks of Dicyanamide-Containing Transition-Metal Ions","Inorganic Chemistry","2006","45","12","4626","4636","10.1021/ic060044u","","","0.71073","MoKα","","0.0476","0.0334","","","0.1012","0.1117","","","","","","1.082","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332162","10.1388","0.0006","10.9373","0.0007","14.2059","0.0007","90","","101.062","0.002","90","","1546.04","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Fe N8 -","- C16 H8 Fe N8 -","- C64 H32 Fe4 N32 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Guerra, Francesca; Julve, Miguel; Lloret, Francesc","Ligand Effects on the Structures of Extended Networks of Dicyanamide-Containing Transition-Metal Ions","Inorganic Chemistry","2006","45","12","4626","4636","10.1021/ic060044u","","","0.71073","MoKα","","0.0387","0.028","","","0.0793","0.0825","","","","","","1.112","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332163","10.1071","0.0008","10.9569","0.0009","14.1281","0.0011","90","","101.257","0.003","90","","1534.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Co N8 -","- C16 H8 Co N8 -","- C64 H32 Co4 N32 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Guerra, Francesca; Julve, Miguel; Lloret, Francesc","Ligand Effects on the Structures of Extended Networks of Dicyanamide-Containing Transition-Metal Ions","Inorganic Chemistry","2006","45","12","4626","4636","10.1021/ic060044u","","","0.71073","MoKα","","0.0422","0.0293","","","0.0827","0.0869","","","","","","1.074","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332164","10.0591","0.0002","10.9889","0.0002","14.0219","0.0003","90","","101.384","0.001","90","","1519.47","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 N8 Ni -","- C16 H8 N8 Ni -","- C64 H32 N32 Ni4 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Guerra, Francesca; Julve, Miguel; Lloret, Francesc","Ligand Effects on the Structures of Extended Networks of Dicyanamide-Containing Transition-Metal Ions","Inorganic Chemistry","2006","45","12","4626","4636","10.1021/ic060044u","","","0.71073","MoKα","","0.0449","0.0314","","","0.0914","0.1","","","","","","1.103","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332165","11.0232","0.0011","11.4736","0.001","14.1127","0.0013","90","","100.633","0.003","90","","1754.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Mn N8 -","- C18 H12 Mn N8 -","- C72 H48 Mn4 N32 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Guerra, Francesca; Julve, Miguel; Lloret, Francesc","Ligand Effects on the Structures of Extended Networks of Dicyanamide-Containing Transition-Metal Ions","Inorganic Chemistry","2006","45","12","4626","4636","10.1021/ic060044u","","","0.71073","MoKα","","0.0501","0.0316","","","0.0835","0.0952","","","","","","1.028","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332166","10.981","0.0003","11.4061","0.0003","13.9694","0.0004","90","","101.421","0.001","90","","1715.03","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Fe N8 -","- C18 H12 Fe N8 -","- C72 H48 Fe4 N32 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Guerra, Francesca; Julve, Miguel; Lloret, Francesc","Ligand Effects on the Structures of Extended Networks of Dicyanamide-Containing Transition-Metal Ions","Inorganic Chemistry","2006","45","12","4626","4636","10.1021/ic060044u","","","0.71073","MoKα","","0.0545","0.0337","","","0.0915","0.1105","","","","","","1.075","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332167","10.954","0.0006","11.4147","0.0006","13.9354","0.0007","90","","101.66","0.001","90","","1706.48","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Co N8 -","- C18 H12 Co N8 -","- C72 H48 Co4 N32 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Guerra, Francesca; Julve, Miguel; Lloret, Francesc","Ligand Effects on the Structures of Extended Networks of Dicyanamide-Containing Transition-Metal Ions","Inorganic Chemistry","2006","45","12","4626","4636","10.1021/ic060044u","","","0.71073","MoKα","","0.0732","0.0397","","","0.1123","0.1272","","","","","","1.071","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332168","10.954","0.0006","11.4147","0.0006","13.9354","0.0007","90","","101.66","0.001","90","","1706.48","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N8 Ni -","- C18 H12 N8 Ni -","- C72 H48 N32 Ni4 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Guerra, Francesca; Julve, Miguel; Lloret, Francesc","Ligand Effects on the Structures of Extended Networks of Dicyanamide-Containing Transition-Metal Ions","Inorganic Chemistry","2006","45","12","4626","4636","10.1021/ic060044u","","","0.71073","MoKα","","0.0388","0.0308","","","0.0802","0.0851","","","","","","1.051","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332169","8.876","0.0018","15.64","0.003","12.98","0.003","90","","94.39","0.03","90","","1796.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Mn N8 -","- C18 H12 Mn N8 -","- C72 H48 Mn4 N32 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Guerra, Francesca; Julve, Miguel; Lloret, Francesc","Ligand Effects on the Structures of Extended Networks of Dicyanamide-Containing Transition-Metal Ions","Inorganic Chemistry","2006","45","12","4626","4636","10.1021/ic060044u","","","0.71073","MoKα","","0.1192","0.0654","","","0.1416","0.1582","","","","","","0.808","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332170","8.8877","0.0004","15.511","0.0007","12.9489","0.0006","90","","94.887","0.002","90","","1778.61","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Fe N8 -","- C18 H12 Fe N8 -","- C72 H48 Fe4 N32 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Guerra, Francesca; Julve, Miguel; Lloret, Francesc","Ligand Effects on the Structures of Extended Networks of Dicyanamide-Containing Transition-Metal Ions","Inorganic Chemistry","2006","45","12","4626","4636","10.1021/ic060044u","","","0.71073","MoKα","","0.0606","0.0408","","","0.1246","0.1377","","","","","","1.054","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332171","12.033","0.003","15.946","0.003","18.515","0.006","90","","93.773","0.006","90","","3544.9","1.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis{1,3-di(4-methyl-2-pyridylimino)isoindolinato}cadmium(II)","","- C40 H32 Cd N10 -","- C40 H32 Cd N10 -","- C160 H128 Cd4 N40 -","4","1","","Wicholas, Mark; Garrett, Andrew D.; Gleaves, Morgan; Morris, Aimee M.; Rehm, Melanie; Anderson, Oren P.; la Cour, Agnete","Size Discrimination in the Coordination Chemistry of an Isoindoline Pincer Ligand with Cd(II) and Zn(II)","Inorganic Chemistry","2006","45","15","5804","5811","10.1021/ic060051i","","","0.71073","MoKα","","0.0563","0.037","","","0.089","0.0952","","","","","","0.991","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332172","11.765","0.003","15.937","0.004","18.606","0.004","90","","93.579","0.004","90","","3481.8","1.5","155","2","155","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis{1,3-di(4-methyl-2-pyridylimino)isoindolinato}zinc(II) monohydrate","","- C40 H32 N10 O Zn -","- C40 H32 N10 O Zn -","- C160 H128 N40 O4 Zn4 -","4","1","","Wicholas, Mark; Garrett, Andrew D.; Gleaves, Morgan; Morris, Aimee M.; Rehm, Melanie; Anderson, Oren P.; la Cour, Agnete","Size Discrimination in the Coordination Chemistry of an Isoindoline Pincer Ligand with Cd(II) and Zn(II)","Inorganic Chemistry","2006","45","15","5804","5811","10.1021/ic060051i","","","0.71073","MoKα","","0.0725","0.0432","","","0.0925","0.1001","","","","","","0.974","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332173","17.625","0.003","10.768","0.002","23.098","0.004","90","","90.989","0.008","90","","4383","1.3","165","2","165","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{(1,3-bis(4-methyl-2-pyridylimino)isoindolinato)(1,3-bis(4-methyl-2- pyridylimino)isoindoline)}cadmium(II) perchlorate","","- C43 H33 Cd Cl N10 O8.75 -","- C43 H33 Cd Cl N10 O8.75 -","- C172 H132 Cd4 Cl4 N40 O35 -","4","1","","Wicholas, Mark; Garrett, Andrew D.; Gleaves, Morgan; Morris, Aimee M.; Rehm, Melanie; Anderson, Oren P.; la Cour, Agnete","Size Discrimination in the Coordination Chemistry of an Isoindoline Pincer Ligand with Cd(II) and Zn(II)","Inorganic Chemistry","2006","45","15","5804","5811","10.1021/ic060051i","","","0.71073","MoKα","","0.0934","0.062","","","0.1685","0.1827","","","","","","1.056","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332174","9.1967","0.0006","10.3605","0.0007","39.933","0.004","90","","90","","90","","3804.9","0.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl2 Mn N2 O S14 -","- C29 H26 Cl2 Mn N2 O S14 -","- C116 H104 Cl8 Mn4 N8 O4 S56 -","4","1","","Jia, Chunyang; Liu, Shi-Xia; Ambrus, Christina; Neels, Antonia; Labat, Gaël; Decurtins, Silvio","One-Dimensionalμ-Chloromanganese(II)−Tetrathiafulvalene (TTF) Coordination Compound","Inorganic Chemistry","2006","45","8","3152","3154","10.1021/ic060056f","","","0.71073","MoKα","","0.0728","0.038","","","0.0605","0.0665","","","","","","0.753","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332175","11.2835","0.0015","35.311","0.006","4.2007","0.0008","90","","90","","90","","1673.7","0.5","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H10 N S7 -","- C14 H10 N S7 -","- C56 H40 N4 S28 -","4","1","","Jia, Chunyang; Liu, Shi-Xia; Ambrus, Christina; Neels, Antonia; Labat, Gaël; Decurtins, Silvio","One-Dimensionalμ-Chloromanganese(II)−Tetrathiafulvalene (TTF) Coordination Compound","Inorganic Chemistry","2006","45","8","3152","3154","10.1021/ic060056f","","","0.71073","MoKα","","0.1307","0.0581","","","0.0959","0.1099","","","","","","0.75","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332176","7.8374","0.0016","19.451","0.004","19.6","0.004","90","","90","","90","","2987.9","1.1","163","2","163","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H28 N2 O6 P2 Pd2 S2 -","- C26 H28 N2 O6 P2 Pd2 S2 -","- C104 H112 N8 O24 P8 Pd8 S8 -","4","0.5","","Kim, Mieock; Picot, Alexandre; Gabbaï, François P.","Remarkably Efficient Hydrolysis of Methylparathion Catalyzed by [2-(2-Pyridyl)phenyl-C,N]palladium(II) Complexes","Inorganic Chemistry","2006","45","14","5600","5606","10.1021/ic0600578","","","0.71073","MoKα","","0.1139","0.0767","","","0.151","0.1658","","","","","","1.045","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332177","9.0616","0.0018","17.793","0.004","19.315","0.004","112.91","0.03","96.39","0.03","94.58","0.03","2824.8","1.3","163","2","163","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H29 N O3 P2 Pd S -","- C31 H29 N O3 P2 Pd S -","- C124 H116 N4 O12 P8 Pd4 S4 -","4","2","","Kim, Mieock; Picot, Alexandre; Gabbaï, François P.","Remarkably Efficient Hydrolysis of Methylparathion Catalyzed by [2-(2-Pyridyl)phenyl-C,N]palladium(II) Complexes","Inorganic Chemistry","2006","45","14","5600","5606","10.1021/ic0600578","","","0.71073","MoKα","","0.0911","0.0548","","","0.1028","0.1177","","","","","","1.019","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332178","9.0606","0.0006","15.7587","0.0008","32.0453","0.0016","90","","90","","90","","4575.5","0.4","273","2","273","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C8 H28 N2 O12 P4 Zn3 -","- C8 H28 N2 O12 P4 Zn3 -","- C64 H224 N16 O96 P32 Zn24 -","8","0.25","","Chen, Lan; Bu, Xianhui","(3,4)-Connected Zincophosphites as Structural Analogues of Zinc Hydrogen Phosphate","Inorganic Chemistry","2006","45","12","4654","4660","10.1021/ic060059s","","","0.71073","MoKα","","0.0458","0.0359","","","0.1052","0.1074","","","","","","1.068","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332179","16.1749","0.0016","8.3247","0.0009","17.0673","0.0017","90","","114.781","0.002","90","","2086.5","0.4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 N2 O12 P4 Zn3 -","- C6 H24 N2 O12 P4 Zn3 -","- C24 H96 N8 O48 P16 Zn12 -","4","0.5","","Chen, Lan; Bu, Xianhui","(3,4)-Connected Zincophosphites as Structural Analogues of Zinc Hydrogen Phosphate","Inorganic Chemistry","2006","45","12","4654","4660","10.1021/ic060059s","","","0.71073","MoKα","","0.0789","0.0503","","","0.1287","0.1435","","","","","","1.046","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332180","15.7891","0.0003","8.4306","0.0002","16.1358","0.0005","90","","112.357","0.001","90","","1986.41","0.09","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 N2 O12 P4 Zn3 -","- C4 H20 N2 O12 P4 Zn3 -","- C16 H80 N8 O48 P16 Zn12 -","4","0.5","","Chen, Lan; Bu, Xianhui","(3,4)-Connected Zincophosphites as Structural Analogues of Zinc Hydrogen Phosphate","Inorganic Chemistry","2006","45","12","4654","4660","10.1021/ic060059s","","","0.71073","MoKα","","0.0755","0.039","","","0.0863","0.1","","","","","","1.027","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332181","9.5823","0.0005","17.7987","0.001","18.2986","0.001","90","","96.148","0.001","90","","3102.9","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 N2 O P Ru -","- C40 H29 N2 O P Ru -","- C160 H116 N8 O4 P4 Ru4 -","4","1","","Li, Elise Y.; Cheng, Yi-Ming; Hsu, Cheng-Chih; Chou, Pi-Tai; Lee, Gene-Hsiang; Lin, I-Hui; Chi, Yun; Liu, Chao-Shiuan","Neutral RuII-Based Emitting Materials: A Prototypical Study on Factors Governing Radiationless Transition in Phosphorescent Metal Complexes†","Inorganic Chemistry","2006","45","20","8041","8051","10.1021/ic060066g","","","0.71073","MoKα","","0.0411","0.0348","","","0.084","0.0923","","","","","","1.11","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332182","7.9196","0.0016","10.795","0.002","7.7958","0.0016","90","","103.9","0.03","90","","647","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs2 Cu3 O14 P4 -","- Cs2 Cu3 O14 P4 -","- Cs4 Cu6 O28 P8 -","2","0.5","","Sanjaya Ranmohotti, K. G.; Mo, Xunhua; Smith, M. Kirklyn; Hwu, Shiou-Jyh","Synthesis, Structure, and Magnetic Properties of Cs2-xRbxCu3P4O14(0.0 ≤x≤ 0.8): A New Series of Copper(II) Phosphates Containing Periodic Arrays of Staggered Square-Planar CuO4Trimers","Inorganic Chemistry","2006","45","9","3665","3670","10.1021/ic060069t","","","0.71073","MoKα","","0.0248","0.0221","","","0.0538","0.0553","","","","","","1.019","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332183","14.795","0.0013","23.136","0.0006","10.557","0.0005","90","","103.801","0.0015","90","","3509.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Cl Ir N3 -","- C42 H30 Cl Ir N3 -","- C168 H120 Cl4 Ir4 N12 -","4","1","","Huo, Shouquan; Deaton, Joseph C.; Rajeswaran, Manju; Lenhart, William C.","Highly Efficient, Selective, and General Method for the Preparation of Meridional Homo- and Heteroleptic Tris-cyclometalated Iridium Complexes","Inorganic Chemistry","2006","45","8","3155","3157","10.1021/ic060089v","","","0.71073","MoKα","","0.0686","0.053","","","0.1324","0.1432","","","","","","1.15","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332184","7.322","0.0005","8.5055","0.0005","28.6082","0.0018","90","","97.204","0.001","90","","1767.58","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 Ni O4 S8 -","- C32 H28 N2 Ni O4 S8 -","- C64 H56 N4 Ni2 O8 S16 -","2","0.5","","Wang, Lei; Zhang, Bin; Zhang, Jingping","Preparation and Crystal Structure of Dual-Functional Precursor Complex Bis(acetylacetonato)nickel(II) with 4-Pyridyltetrathiafulvalene","Inorganic Chemistry","2006","45","17","6860","6863","10.1021/ic060095r","","","0.71073","MoKα","","0.0506","0.0429","","","0.1159","0.1212","","","","","","1.047","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332185","17.336","0.001","37.357","0.006","17.58","0.003","90","","106.221","0.006","90","","10932","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C120.52 H114.38 Cl3.65 N3 O2.17 Ru2 S8 Si4 -","- C120.516 H114.376 Cl3.656 N3 O2.172 Ru2 S8 Si4 -","- C482.064 H457.504 Cl14.624 N12 O8.688 Ru8 S32 Si16 -","4","1","","Prakash, Raju; Götz, Andreas W.; Heinemann, Frank W.; Görling, Andreas; Sellmann, Dieter","Hydrazine Nitrosation of a Metal-Bound Nitric Oxide: Structural Evidence for the Formation of an Ammine Complex","Inorganic Chemistry","2006","45","12","4661","4667","10.1021/ic060096j","","","0.71073","MoKα","","0.0809","0.0547","","","0.1159","0.1272","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4332186","11.6307","0.0001","13.262","0.0002","13.9744","0.0002","104.383","0.001","103.975","0.001","93.77","0.001","2007.93","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H36 N14 O6 Zn -","- C39 H36 N14 O6 Zn -","- C78 H72 N28 O12 Zn2 -","2","1","","Maheswari, Palanisamy Uma; Modec, Barbara; Pevec, Andrej; Kozlevčar, Bojan; Massera, Chiara; Gamez, Patrick; Reedijk, Jan","Crystallographic Evidence of Nitrate−π Interactions Involving the Electron-Deficient 1,3,5-Triazine Ring","Inorganic Chemistry","2006","45","17","6637","6645","10.1021/ic060101j","","","0.71073","MoKα","","0.0745","0.0605","","","0.1783","0.195","","","","","","1.058","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332187","13.0972","0.0002","15.1275","0.0003","16.6703","0.0003","103.565","0.0007","108.237","0.0008","98.6338","0.0009","2958.71","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H45 N21 O18 Zn3 -","- C45 H45 N21 O18 Zn3 -","- C90 H90 N42 O36 Zn6 -","2","1","","Maheswari, Palanisamy Uma; Modec, Barbara; Pevec, Andrej; Kozlevčar, Bojan; Massera, Chiara; Gamez, Patrick; Reedijk, Jan","Crystallographic Evidence of Nitrate−π Interactions Involving the Electron-Deficient 1,3,5-Triazine Ring","Inorganic Chemistry","2006","45","17","6637","6645","10.1021/ic060101j","","","0.71073","MoKα","","0.0743","0.0486","","","0.1123","0.126","","","","","","1.056","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332188","13.476","0.005","25.455","0.005","16.537","0.005","90","0.005","101.635","0.005","90","0.005","5556","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 Cu3 N18 O24 -","- C39 H36 Cu3 N18 O24 -","- C156 H144 Cu12 N72 O96 -","4","1","","Maheswari, Palanisamy Uma; Modec, Barbara; Pevec, Andrej; Kozlevčar, Bojan; Massera, Chiara; Gamez, Patrick; Reedijk, Jan","Crystallographic Evidence of Nitrate−π Interactions Involving the Electron-Deficient 1,3,5-Triazine Ring","Inorganic Chemistry","2006","45","17","6637","6645","10.1021/ic060101j","","","0.71073","MoKα","","0.0704","0.0548","","","0.131","0.1331","","","","","","1.115","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332189","9.477","0.0002","9.477","0.0002","11.4901","0.0004","90","","90","","120","","893.71","0.04","294","1","294","1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- La2.47 Na1.53 O6 Rh -","- La2.466 Na1.534 O6 Rh -","- La14.796 Na9.204 O36 Rh6 -","6","0.166667","","Macquart, René B.; Gemmill, William R.; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Single-Crystal Structure of the 2H-Related Perovskites (A3-xNax)NaBO6(A = La, Pr, Nd; B = Rh, Pt)","Inorganic Chemistry","2006","45","11","4391","4395","10.1021/ic060105o","","","0.71073","MoKα","","0.036","0.0293","","","0.0533","0.0551","","","","","","1.162","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332190","9.3534","0.0002","9.3534","0.0002","11.3386","0.0005","90","","90","","120","","859.07","0.05","150","2","150","1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Na1.55 O6 Pr2.45 Rh -","- Na1.552 O6 Pr2.448 Rh -","- Na9.312 O36 Pr14.688 Rh6 -","6","0.166667","","Macquart, René B.; Gemmill, William R.; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Single-Crystal Structure of the 2H-Related Perovskites (A3-xNax)NaBO6(A = La, Pr, Nd; B = Rh, Pt)","Inorganic Chemistry","2006","45","11","4391","4395","10.1021/ic060105o","","","0.71073","MoKα","","0.0322","0.0279","","","0.0446","0.0453","","","","","","1.263","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332191","9.3352","0.0009","9.3352","0.0009","11.304","0.002","90","","90","","120","","853.12","0.19","294","2","294","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Na1.55 Nd2.45 O6 Rh -","- Na1.546 Nd2.454 O6 Rh -","- Na9.276 Nd14.724 O36 Rh6 -","6","0.166667","","Macquart, René B.; Gemmill, William R.; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Single-Crystal Structure of the 2H-Related Perovskites (A3-xNax)NaBO6(A = La, Pr, Nd; B = Rh, Pt)","Inorganic Chemistry","2006","45","11","4391","4395","10.1021/ic060105o","","","0.71073","MoKα","","0.03","0.0257","","","0.0449","0.046","","","","","","1.057","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332192","9.3618","0.0003","9.3618","0.0003","11.2959","0.0006","90","","90","","120","","857.37","0.06","294","2","294","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Na2 Nd2 O6 Pt -","- Na1.99 Nd2.01 O6 Pt -","- Na11.94 Nd12.06 O36 Pt6 -","6","0.166667","","Macquart, René B.; Gemmill, William R.; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Single-Crystal Structure of the 2H-Related Perovskites (A3-xNax)NaBO6(A = La, Pr, Nd; B = Rh, Pt)","Inorganic Chemistry","2006","45","11","4391","4395","10.1021/ic060105o","","","0.71073","MoKα","","0.0275","0.0262","","","0.0607","0.0615","","","","","","1.142","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332193","8.0926","0.001","8.7436","0.0011","9.769","0.0012","65.289","0.002","66.001","0.002","63.483","0.002","540.9","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(N,N-diethylethylenediamine)copper(II) Perchlorate","","- C12 H32 Cl2 Cu N4 O8 -","- C12 H32 Cl2 Cu N4 O8 -","- C12 H32 Cl2 Cu N4 O8 -","1","0.5","","Naumov, Panče; Sakurai, Kenji; Asaka, Toru; Belik, Alexei A.; Adachi, Shin-ichi; Takahashi, Junichi; Koshihara, Shin-ya","Structural Basis for the Phase Switching of Bisaminecopper(II) Cations at the Thermal Limits of Lattice Stability","Inorganic Chemistry","2006","45","13","5027","5033","10.1021/ic060110s","","","0.71073","MoKα","","0.0478","0.0405","","","0.1005","0.1023","","","","","","0.95","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332194","9.9546","0.0014","8.383","0.0011","13.289","0.003","90","","97.437","0.002","90","","1099.6","0.3","319","2","319","2","","","","","","","","6","I 1 2 1","I 2y","5","","Bis(N,N-diethylethylenediamine)copper(II) Perchlorate","","- C6 H16 Cl Cu0.5 N2 O4 -","- C6 H16 Cl Cu0.5 N2 O4 -","- C24 H64 Cl4 Cu2 N8 O16 -","4","1","","Naumov, Panče; Sakurai, Kenji; Asaka, Toru; Belik, Alexei A.; Adachi, Shin-ichi; Takahashi, Junichi; Koshihara, Shin-ya","Structural Basis for the Phase Switching of Bisaminecopper(II) Cations at the Thermal Limits of Lattice Stability","Inorganic Chemistry","2006","45","13","5027","5033","10.1021/ic060110s","","","0.71073","MoKα","","0.1383","0.0821","","","0.1915","0.2176","","","","","","0.81","","","","has coordinates,has disorder","179424","2020-10-21","18:00:00",""
"4332195","26.854","0.005","14.287","0.003","14.697","0.003","90","","90","","90","","5639","2","193","2","193","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C29 H36 Br2 Cu6 Li N3 S6 W2 -","- C29 H36 Br2 Cu6 Li N3 S6 W2 -","- C116 H144 Br8 Cu24 Li4 N12 S24 W8 -","4","0.25","","Xu, Qing-Feng; Chen, Jin-Xiang; Zhang, Wen-Hua; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Construction of [(η5-C5Me5)WS3Cu3]-Based Supramolecular Compounds from Preformed Incomplete Cubane-Like Clusters [PPh4][(η5-C5Me5)WS3(CuX)3] (X = CN, Br)","Inorganic Chemistry","2006","45","10","4055","4064","10.1021/ic060115p","","","0.71073","MoKα","","0.1065","0.1027","","","0.2172","0.2193","","","","","","1.216","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332196","8.7069","0.0008","15.6615","0.0017","16.1002","0.0017","90","","90","","90","","2195.5","0.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cu3 N3 S3 W -","- C17 H20 Cu3 N3 S3 W -","- C68 H80 Cu12 N12 S12 W4 -","4","1","","Xu, Qing-Feng; Chen, Jin-Xiang; Zhang, Wen-Hua; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Construction of [(η5-C5Me5)WS3Cu3]-Based Supramolecular Compounds from Preformed Incomplete Cubane-Like Clusters [PPh4][(η5-C5Me5)WS3(CuX)3] (X = CN, Br)","Inorganic Chemistry","2006","45","10","4055","4064","10.1021/ic060115p","","","0.7107","MoKα","","0.0365","0.0356","","","0.0693","0.0696","","","","","","1.174","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332197","21.532","0.004","14.132","0.003","14.589","0.003","90","","104.3","0.03","90","","4301.7","1.6","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 Cl Cu3 N3 P S3 W -","- C41 H40 Cl Cu3 N3 P S3 W -","- C164 H160 Cl4 Cu12 N12 P4 S12 W4 -","4","1","","Xu, Qing-Feng; Chen, Jin-Xiang; Zhang, Wen-Hua; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Construction of [(η5-C5Me5)WS3Cu3]-Based Supramolecular Compounds from Preformed Incomplete Cubane-Like Clusters [PPh4][(η5-C5Me5)WS3(CuX)3] (X = CN, Br)","Inorganic Chemistry","2006","45","10","4055","4064","10.1021/ic060115p","","","0.71073","MoKα","","0.134","0.1028","","","0.2141","0.2296","","","","","","1.224","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332198","9.964","0.002","14.49","0.003","16.071","0.003","78.13","0.03","83.88","0.03","77.82","0.03","2214.7","0.8","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H70 Cu6 N8 P2 S6 W2 -","- C84 H70 Cu6 N8 P2 S6 W2 -","- C84 H70 Cu6 N8 P2 S6 W2 -","1","0.5","","Xu, Qing-Feng; Chen, Jin-Xiang; Zhang, Wen-Hua; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Construction of [(η5-C5Me5)WS3Cu3]-Based Supramolecular Compounds from Preformed Incomplete Cubane-Like Clusters [PPh4][(η5-C5Me5)WS3(CuX)3] (X = CN, Br)","Inorganic Chemistry","2006","45","10","4055","4064","10.1021/ic060115p","","","0.71073","MoKα","","0.0696","0.0633","","","0.1686","0.172","","","","","","1.138","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332199","19.529","0.004","14.994","0.003","22.238","0.004","90","","90","","90","","6512","2","193","2","193","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C24 H23 Br2 Cu3 N2 O S3 W -","- C24 H23 Br2 Cu3 N2 O S3 W -","- C192 H184 Br16 Cu24 N16 O8 S24 W8 -","8","1","","Xu, Qing-Feng; Chen, Jin-Xiang; Zhang, Wen-Hua; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Construction of [(η5-C5Me5)WS3Cu3]-Based Supramolecular Compounds from Preformed Incomplete Cubane-Like Clusters [PPh4][(η5-C5Me5)WS3(CuX)3] (X = CN, Br)","Inorganic Chemistry","2006","45","10","4055","4064","10.1021/ic060115p","","","0.71073","MoKα","","0.1418","0.1237","","","0.2353","0.2444","","","","","","1.292","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332200","10.5625","0.0008","10.6274","0.0008","19.7117","0.0014","90","","98.095","0.001","90","","2190.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H56 Cl4 Co2 Cu4 N4 O10 -","- C26 H56 Cl4 Co2 Cu4 N4 O10 -","- C52 H112 Cl8 Co4 Cu8 N8 O20 -","2","0.5","","Hamid, Mazhar; Tahir, Asif A.; Mazhar, Muhammad; Zeller, Matthias; Molloy, Kieran C.; Hunter, Allen D.","Synthesis of Isostructural Cage Complexes of Copper with Cobalt and Nickel for Deposition of Mixed Ceramic Oxide Materials","Inorganic Chemistry","2006","45","26","10457","10466","10.1021/ic060119u","","","0.71073","MoKα","","0.0281","0.0255","","","0.0678","0.0694","","","","","","1.052","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332201","10.583","0.0002","10.646","0.0002","19.612","0.0004","90","","98.063","0.001","90","","2187.77","0.07","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H56 Cl4 Cu4 N4 Ni2 O10 -","- C26 H56 Cl4 Cu4 N4 Ni2 O10 -","- C52 H112 Cl8 Cu8 N8 Ni4 O20 -","2","0.5","","Hamid, Mazhar; Tahir, Asif A.; Mazhar, Muhammad; Zeller, Matthias; Molloy, Kieran C.; Hunter, Allen D.","Synthesis of Isostructural Cage Complexes of Copper with Cobalt and Nickel for Deposition of Mixed Ceramic Oxide Materials","Inorganic Chemistry","2006","45","26","10457","10466","10.1021/ic060119u","","","0.71073","MoKα","","0.0492","0.0358","","","0.0663","0.07","","","","","","1.117","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332202","10.984","0.0012","27.25","0.003","11.1182","0.0012","90","","90","","90","","3327.8","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H48 Cl3.77 Cu4 I0.23 N4 O4 -","- C23 H48 Cl3.7691 Cu4 I0.2309 N4 O4 -","- C92 H192 Cl15.0764 Cu16 I0.9236 N16 O16 -","4","1","","Hamid, Mazhar; Tahir, Asif A.; Mazhar, Muhammad; Zeller, Matthias; Molloy, Kieran C.; Hunter, Allen D.","Synthesis of Isostructural Cage Complexes of Copper with Cobalt and Nickel for Deposition of Mixed Ceramic Oxide Materials","Inorganic Chemistry","2006","45","26","10457","10466","10.1021/ic060119u","","","0.71073","MoKα","","0.0285","0.0271","","","0.0647","0.0653","","","","","","1.03","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332203","17.0878","0.0002","19.0063","0.0002","19.9227","0.0002","90","","90","","90","","6470.41","0.12","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6.65 H14 B10 I10 O2 S1.35 -","- C6.65 H14 B10 I10 O2 S1.35 -","- C53.2 H112 B80 I80 O16 S10.8 -","8","1","","Teixidor, Francesc; Barberà, Gemma; Viñas, Clara; Sillanpää, Reijo; Kivekäs, Raikko","Synthesis of Boron-Iodinatedo-Carborane Derivatives. Water Stability of the Periodinated Monoprotic Salt","Inorganic Chemistry","2006","45","9","3496","3498","10.1021/ic060124y","","x-ray","0.71073","Mokα","","0.063","0.0318","","","0.0482","0.0535","","","","","","1.023","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332204","15.1025","0.0004","17.3051","0.0008","23.801","0.002","90","","90","","90","","6220.4","0.6","213","2","213","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Ni2(DAniF)4,1.5CH2Cl2","","","- C61.5 H63 Cl3 N8 Ni2 O8 -","- C61.5 H63 Cl3 N8 Ni2 O8 -","- C246 H252 Cl12 N32 Ni8 O32 -","4","0.5","","Berry, John F.; Bothe, Eberhard; Cotton, F. Albert; Ibragimov, Sergey A.; Murillo, Carlos A.; Villagrán, Dino; Wang, Xiaoping","Metal−Metal Bonding in Mixed Valence Ni25+Complexes and Spectroscopic Evidence for a Ni26+Species","Inorganic Chemistry","2006","45","11","4396","4406","10.1021/ic060125q","","","0.71073","MoKα","","0.0906","0.0649","","","0.1538","0.1692","","","","","","1.125","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332205","13.1601","0.0008","13.7494","0.0009","18.4507","0.0012","99.574","0.001","93.743","0.001","92.096","0.001","3281.2","0.4","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H64 B Cl4 F4 N8 Ni2 O8 -","- C62 H64 B Cl4 F4 N8 Ni2 O8 -","- C124 H128 B2 Cl8 F8 N16 Ni4 O16 -","2","1","","Berry, John F.; Bothe, Eberhard; Cotton, F. Albert; Ibragimov, Sergey A.; Murillo, Carlos A.; Villagrán, Dino; Wang, Xiaoping","Metal−Metal Bonding in Mixed Valence Ni25+Complexes and Spectroscopic Evidence for a Ni26+Species","Inorganic Chemistry","2006","45","11","4396","4406","10.1021/ic060125q","","","0.71073","MoKα","","0.0506","0.0433","","","0.1205","0.1255","","","","","","1.082","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332206","17.715","0.001","11.8183","0.0007","18.6481","0.001","90","","90.039","0.001","90","","3904.2","0.4","213","2","213","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Ni2(Triphenylguanidinate)4, 4(CDCl3)","","","- C80 H64 Cl12 D4 N12 Ni2 -","- C80 H64 Cl12 D4 N12 Ni2 -","- C160 H128 Cl24 D8 N24 Ni4 -","2","0.5","","Berry, John F.; Bothe, Eberhard; Cotton, F. Albert; Ibragimov, Sergey A.; Murillo, Carlos A.; Villagrán, Dino; Wang, Xiaoping","Metal−Metal Bonding in Mixed Valence Ni25+Complexes and Spectroscopic Evidence for a Ni26+Species","Inorganic Chemistry","2006","45","11","4396","4406","10.1021/ic060125q","","","0.71073","MoKα","","0.0477","0.039","","","0.1047","0.1133","","","","","","1.042","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332207","17.5916","0.0014","18.8152","0.0015","21.6622","0.0018","90","","90","","90","","7170","1","213","2","213","2","","","","","","","","7","A b a 2","A 2 -2ab","41","[Ni2(TPG)4]BF4, 2CH2Cl2","","","- C78 H68 B Cl4 F4 N12 Ni2 -","- C78 H68 B Cl4 F4 N12 Ni2 -","- C312 H272 B4 Cl16 F16 N48 Ni8 -","4","","","Berry, John F.; Bothe, Eberhard; Cotton, F. Albert; Ibragimov, Sergey A.; Murillo, Carlos A.; Villagrán, Dino; Wang, Xiaoping","Metal−Metal Bonding in Mixed Valence Ni25+Complexes and Spectroscopic Evidence for a Ni26+Species","Inorganic Chemistry","2006","45","11","4396","4406","10.1021/ic060125q","","","0.71073","MoKα","","0.0705","0.0539","","","0.1452","0.1589","","","","","","1.148","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332208","17.3157","0.0019","10.8344","0.0012","17.787","0.002","90","","90","","90","","3336.9","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H26 N P S -","- C17 H26 N P S -","- C136 H208 N8 P8 S8 -","8","1","","Wechsler, Dominik; Myers, Anne; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Rh(I) and Ir(I) Derivatives of a P(S),N-Substituted Indene Ligand: Synthetic, Structural, and Catalytic Alkene Hydrosilylation Studies","Inorganic Chemistry","2006","45","11","4562","4570","10.1021/ic060127a","","","0.71073","MoKα","","0.0441","0.0338","","","0.0825","0.0887","","","","","","1.064","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332209","10.5482","0.0004","11.2705","0.0005","14.399","0.0006","90","","98.752","0.001","90","","1691.87","0.12","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N P S -","- C17 H26 N P S -","- C68 H104 N4 P4 S4 -","4","1","","Wechsler, Dominik; Myers, Anne; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Rh(I) and Ir(I) Derivatives of a P(S),N-Substituted Indene Ligand: Synthetic, Structural, and Catalytic Alkene Hydrosilylation Studies","Inorganic Chemistry","2006","45","11","4562","4570","10.1021/ic060127a","","","0.71073","MoKα","","0.0369","0.035","","","0.0962","0.0978","","","","","","1.057","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332210","10.1379","0.0007","12.4282","0.0008","18.8478","0.0013","90","","93.7628","0.0011","90","","2369.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 N P Rh S -","- C25 H37 N P Rh S -","- C100 H148 N4 P4 Rh4 S4 -","4","1","","Wechsler, Dominik; Myers, Anne; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Rh(I) and Ir(I) Derivatives of a P(S),N-Substituted Indene Ligand: Synthetic, Structural, and Catalytic Alkene Hydrosilylation Studies","Inorganic Chemistry","2006","45","11","4562","4570","10.1021/ic060127a","","","0.71073","MoKα","","0.0349","0.0281","","","0.0735","0.077","","","","","","1.02","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332211","10.1288","0.0005","12.3895","0.0007","18.9271","0.001","90","","93.2465","0.0008","90","","2371.4","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 Ir N P S -","- C25 H37 Ir N P S -","- C100 H148 Ir4 N4 P4 S4 -","4","1","","Wechsler, Dominik; Myers, Anne; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Rh(I) and Ir(I) Derivatives of a P(S),N-Substituted Indene Ligand: Synthetic, Structural, and Catalytic Alkene Hydrosilylation Studies","Inorganic Chemistry","2006","45","11","4562","4570","10.1021/ic060127a","","","0.71073","MoKα","","0.031","0.0217","","","0.0506","0.0544","","","","","","1.029","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332212","18.156","0.002","18.156","0.002","54.495","0.01","90","","90","","120","","15557","4","130.15","","130.15","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C87 H90 Cl8 Cu4 O9 P4 S12 Sn3 -","- C87 H90 Cl8 Cu4 O9.01 P4 S12 Sn3 -","- C522 H540 Cl48 Cu24 O54.06 P24 S72 Sn18 -","6","0.333333","","Wang, Xin; Sheng, Tian-Lu; Fu, Rui-Biao; Hu, Sheng-Min; Xiang, Sheng-Chang; Wang, Long-Sheng; Wu, Xin-Tao","Assembly of a Heterometallic Polynuclear SnIV−CuICluster Based on Sn(edt)2(edt = Ethane-1,2-dithiolate) as a Metalloligand","Inorganic Chemistry","2006","45","14","5236","5238","10.1021/ic060131m","","","0.71073","MoKα","","0.0515","0.0496","","","0.1032","0.1042","","","","","","1.114","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332213","23.435","0.003","8.7585","0.001","13.474","0.002","90","","120.148","0.004","90","","2391.5","0.6","568","2","568","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H15 N4 O2 -","- C10.5 H15 N4 O2 -","- C84 H120 N32 O16 -","8","1","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.043","0.0394","","","0.1271","0.1347","","","","","","0.679","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332214","23.287","0.002","9.8297","0.0009","26.781","0.003","90","","108.743","0.002","90","","5805.2","1","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H39 N8 O4.5 -","- C26 H39 N8 O4.5 -","- C208 H312 N64 O36 -","8","1","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.1355","0.0596","","","0.1383","0.1785","","","","","","0.731","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332215","11.708","0.0017","10.0758","0.0014","24.904","0.004","90","","98.02","0.003","90","","2909.1","0.7","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl2 N8 O4 -","- C25 H38 Cl2 N8 O4 -","- C100 H152 Cl8 N32 O16 -","4","1","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.0852","0.0674","","","0.1719","0.1845","","","","","","1.01","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4332216","15.204","0.0008","15.204","0.0008","24.9089","0.0017","90","","90","","90","","5758","0.6","295","2","295","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H40 Cu2 F24 N8 O12 -","- C44 H40 Cu2 F24 N8 O12 -","- C176 H160 Cu8 F96 N32 O48 -","4","0.5","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.0437","0.0363","","","0.0844","0.0875","","","","","","0.893","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332217","14.9346","0.0007","14.9346","0.0007","24.8","0.002","90","","90","","90","","5531.4","0.6","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H20 Cu F12 N4 O6 -","- C22 H20 Cu F12 N4 O6 -","- C176 H160 Cu8 F96 N32 O48 -","8","1","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.028","0.0269","","","0.0719","0.0725","","","","","","0.976","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332218","15.0952","0.0012","15.0952","0.0012","24.85","0.003","90","","90","","90","","5662.4","0.9","240","2","240","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H20 Cu F12 N4 O6 -","- C22 H20 Cu F12 N4 O6 -","- C176 H160 Cu8 F96 N32 O48 -","8","1","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.0399","0.037","","","0.0945","0.0961","","","","","","1.16","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332220","11.0531","0.0006","14.9148","0.0008","27.8636","0.0015","104.549","0.001","93.67","0.001","90.008","0.001","4436.4","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H92 Cu7 F84 N16 O36 -","- C124 H86 Cu7 F84 N16 O36 -","- C124 H86 Cu7 F84 N16 O36 -","1","0.5","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.0979","0.0593","","","0.1458","0.1633","","","","","","0.883","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332221","12.458","0.002","16.387","0.003","19.262","0.004","105.29","0.003","103.114","0.003","107.368","0.003","3414.9","1.1","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- C98 H82 Cu5 F60 N16 O28 -","- C98 H82 Cu5 F60 N16 O28 -","- C98 H82 Cu5 F60 N16 O28 -","1","1","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.1607","0.0953","","","0.2497","0.3215","","","","","","1.001","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332222","11.276","0.004","11.488","0.005","13.795","0.005","92.934","0.007","114.139","0.007","103.139","0.007","1567","1.1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 Cu2 F24 N8 O13 -","- C48 H48 Cu2 F24 N8 O13 -","- C48 H48 Cu2 F24 N8 O13 -","1","0.5","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.0475","0.0382","","","0.0987","0.102","","","","","","0.809","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332223","11.281","0.003","11.598","0.004","13.742","0.004","93.574","0.006","113.391","0.006","103.059","0.005","1584.1","0.8","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 Cu2 F24 N8 O13 -","- C48 H48 Cu2 F24 N8 O13 -","- C48 H48 Cu2 F24 N8 O13 -","1","0.5","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.0593","0.0463","","","0.1208","0.125","","","","","","0.908","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332224","11.314","0.003","11.817","0.003","13.746","0.004","94.706","0.005","111.839","0.005","103.492","0.005","1629.6","0.8","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 Cu2 F24 N8 O12 -","- C48 H48 Cu2 F24 N8 O12 -","- C48 H48 Cu2 F24 N8 O12 -","1","0.5","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.0923","0.0615","","","0.1496","0.1647","","","","","","0.958","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332225","13.0933","","5.707","","15.293","","90","","98.24","","90","","1130.95","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Bi2.5 O6.25 P -","- Bi2.5 O6.25 P -","- Bi20 O50 P8 -","8","1","","Muktha, B.; Guru Row, T. N.","Synthesis and Crystal Chemistry of Two New Fluorite-Related Bismuth Phosphates, Bi4.25(PO4)2O3.375and Bi5(PO4)2O4.5, in the Series Bi4+x(PO4)2O3+3x/2(0.175 ≤x≤ 1)","Inorganic Chemistry","2006","45","12","4706","4711","10.1021/ic0601337","","","0.71073","MoKα","","0.06","0.06","","","0.1228","0.1228","","","","1.33","1.33","1.33","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332226","7.0479","0.0016","9.863","0.002","15.365","0.004","77.604","0.004","84.556","0.004","70.152","0.004","980.9","0.4","298","2","298","2","","","","","","","see text","3","P -1","-P 1","2","","","","- Bi17 O45.5 P8 -","- Bi17 O45.5 P8 -","- Bi17 O45.5 P8 -","1","0.5","","Muktha, B.; Guru Row, T. N.","Synthesis and Crystal Chemistry of Two New Fluorite-Related Bismuth Phosphates, Bi4.25(PO4)2O3.375and Bi5(PO4)2O4.5, in the Series Bi4+x(PO4)2O3+3x/2(0.175 ≤x≤ 1)","Inorganic Chemistry","2006","45","12","4706","4711","10.1021/ic0601337","","","0.71073","MoKa","","0.052","0.052","","","0.103","0.103","","","","","","1.32","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332227","11.9312","0.0001","13.6044","0.0001","14.1521","0.0001","90","","90","","90","","2297.12","0.03","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl2 Fe N3 O4 -","- C19 H27 Cl2 Fe N3 O4 -","- C76 H108 Cl8 Fe4 N12 O16 -","4","1","","Gosiewska, Silvia; Cornelissen, Jeroen J. L. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Diastereopure Fe(II) and Zn(II) Complexes Derived from a TridentateN,N‘,N-Bis(methyl-l-prolinate)-Substituted Pyridine Ligand","Inorganic Chemistry","2006","45","10","4214","4227","10.1021/ic060134z","","","0.71073","MoKα","","0.0266","0.0231","","","0.0537","0.0554","","","","","","1.025","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332228","11.805","0.005","13.723","0.003","14.181","0.007","90","","90","","90","","2297.3","1.6","210","2","210","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl2 N3 O4 Zn -","- C19 H27 Cl2 N3 O4 Zn -","- C76 H108 Cl8 N12 O16 Zn4 -","4","1","","Gosiewska, Silvia; Cornelissen, Jeroen J. L. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Diastereopure Fe(II) and Zn(II) Complexes Derived from a TridentateN,N‘,N-Bis(methyl-l-prolinate)-Substituted Pyridine Ligand","Inorganic Chemistry","2006","45","10","4214","4227","10.1021/ic060134z","","","0.71073","MoKα","","0.036","0.0286","","","0.0609","0.0646","","","","","","1.061","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332229","9.0393","0.0006","13.0683","0.0013","24.218","0.003","90","","90","","90","","2860.8","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 F6 Fe N3 O10 S2 -","- C21 H27 F6 Fe N3 O10 S2 -","- C84 H108 F24 Fe4 N12 O40 S8 -","4","1","","Gosiewska, Silvia; Cornelissen, Jeroen J. L. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Diastereopure Fe(II) and Zn(II) Complexes Derived from a TridentateN,N‘,N-Bis(methyl-l-prolinate)-Substituted Pyridine Ligand","Inorganic Chemistry","2006","45","10","4214","4227","10.1021/ic060134z","","","0.71073","MoKα","","0.0577","0.0342","","","0.0657","0.0732","","","","","","1.044","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332230","9.6431","0.0007","13.9031","0.0012","11.4677","0.0012","90","","99.851","0.009","90","","1514.8","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H31 F6 Fe N3 O12 S2 -","- C21 H31 F6 Fe N3 O12 S2 -","- C42 H62 F12 Fe2 N6 O24 S4 -","2","1","","Gosiewska, Silvia; Cornelissen, Jeroen J. L. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Diastereopure Fe(II) and Zn(II) Complexes Derived from a TridentateN,N‘,N-Bis(methyl-l-prolinate)-Substituted Pyridine Ligand","Inorganic Chemistry","2006","45","10","4214","4227","10.1021/ic060134z","","","0.71073","MoKα","","0.0313","0.026","","","0.0638","0.0655","","","","","","1.044","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332231","9.7266","0.0004","11.7644","0.0005","12.5504","0.0006","90","","92.7912","0.0017","90","","1434.41","0.11","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H27 F6 N3 O10 S2 Zn -","- C21 H27 F6 N3 O10 S2 Zn -","- C42 H54 F12 N6 O20 S4 Zn2 -","2","1","","Gosiewska, Silvia; Cornelissen, Jeroen J. L. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Diastereopure Fe(II) and Zn(II) Complexes Derived from a TridentateN,N‘,N-Bis(methyl-l-prolinate)-Substituted Pyridine Ligand","Inorganic Chemistry","2006","45","10","4214","4227","10.1021/ic060134z","","","0.71073","MoKα","","0.0598","0.0503","","","0.1153","0.1225","","","","","","1.046","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332232","18.143","0.004","18.443","0.004","18.906","0.004","90","","90","","90","","6326","2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H96 Ga2 Mg N4 O3 -","- C64 H96 Ga2 Mg N4 O3 -","- C256 H384 Ga8 Mg4 N16 O12 -","4","1","","Jones, Cameron; Mills, David P.; Platts, Jamie A.; Rose, Richard P.","Synthesis, Structural Characterization, and Theoretical Studies of Complexes of Magnesium and Calcium with Gallium Heterocycles","Inorganic Chemistry","2006","45","8","3146","3148","10.1021/ic060136j","","","0.71073","MoKα","","0.0814","0.0533","","","0.1036","0.1146","","","","","","1.019","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332233","13.191","0.003","18.529","0.004","14.323","0.003","90","","94.6","0.03","90","","3489.5","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H104 Ca Ga2 N4 O4 -","- C68 H104 Ca Ga2 N4 O4 -","- C136 H208 Ca2 Ga4 N8 O8 -","2","0.5","","Jones, Cameron; Mills, David P.; Platts, Jamie A.; Rose, Richard P.","Synthesis, Structural Characterization, and Theoretical Studies of Complexes of Magnesium and Calcium with Gallium Heterocycles","Inorganic Chemistry","2006","45","8","3146","3148","10.1021/ic060136j","","","0.71073","MoKα","","0.0795","0.0574","","","0.1429","0.1569","","","","","","1.028","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332234","15.745","0.003","23.629","0.005","24.238","0.005","110.87","0.03","96.54","0.03","96.67","0.03","8251","4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H128 Ca Ga2 N4 O4 -","- C86 H128 Ca Ga2 N4 O4 -","- C344 H512 Ca4 Ga8 N16 O16 -","4","2","","Jones, Cameron; Mills, David P.; Platts, Jamie A.; Rose, Richard P.","Synthesis, Structural Characterization, and Theoretical Studies of Complexes of Magnesium and Calcium with Gallium Heterocycles","Inorganic Chemistry","2006","45","8","3146","3148","10.1021/ic060136j","","","0.71073","MoKα","","0.1323","0.0613","","","0.1296","0.1556","","","","","","1.034","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332235","14.092","0.002","9.7574","0.0015","29.812","0.005","90","","101.907","0.004","90","","4011","1.1","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32.5 Ag F3 N1.5 O3 P2 S -","- C42 H32.5 Ag F3 N1.5 O3 P2 S -","- C168 H130 Ag4 F12 N6 O12 P8 S4 -","4","1","","Lin, Ronger; Yip, John H. K.","Self-Assembly, Structures, and Solution Dynamics of Emissive Silver Metallacycles and Helices","Inorganic Chemistry","2006","45","11","4423","4430","10.1021/ic060140v","","","0.71073","MoKα","","0.1091","0.0664","","","0.1698","0.1868","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332236","9.7009","0.0006","14.5954","0.001","24.0063","0.0016","90","","90","","90","","3399","0.4","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C80 H62 Ag2 Cl2 N2 O8 P4 -","- C80 H62 Ag2 Cl2 N2 O8 P4 -","- C160 H124 Ag4 Cl4 N4 O16 P8 -","2","0.5","","Lin, Ronger; Yip, John H. K.","Self-Assembly, Structures, and Solution Dynamics of Emissive Silver Metallacycles and Helices","Inorganic Chemistry","2006","45","11","4423","4430","10.1021/ic060140v","","","0.71073","MoKα","","0.0772","0.0708","","","0.1853","0.192","","","","","","1.054","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332237","19.4287","0.0007","36.4741","0.0012","42.9932","0.0015","90","","90","","90","","30466.9","1.8","223","2","223","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C156 H120 Ag4 Cl12 O16 P8 -","- C156 H120 Ag4 Cl12 O16 P8 -","- C1248 H960 Ag32 Cl96 O128 P64 -","8","0.25","","Lin, Ronger; Yip, John H. K.","Self-Assembly, Structures, and Solution Dynamics of Emissive Silver Metallacycles and Helices","Inorganic Chemistry","2006","45","11","4423","4430","10.1021/ic060140v","","","0.71073","MoKα","","0.11","0.0843","","","0.2108","0.2263","","","","","","1.087","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332238","9.7572","0.0005","14.8314","0.0008","24.1685","0.0014","90","","90","","90","","3497.5","0.3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H62 Ag2 F12 N2 P6 -","- C80 H62 Ag2 F12 N2 P6 -","- C160 H124 Ag4 F24 N4 P12 -","2","0.5","","Lin, Ronger; Yip, John H. K.","Self-Assembly, Structures, and Solution Dynamics of Emissive Silver Metallacycles and Helices","Inorganic Chemistry","2006","45","11","4423","4430","10.1021/ic060140v","","","0.71073","MoKα","","0.0558","0.052","","","0.1233","0.1256","","","","","","1.148","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332239","18.7319","0.0008","18.51","0.0008","25.8368","0.0011","90","","90","","90","","8958.3","0.7","293","2","293","2","","","","","","","","8","P m n 21","P 2ac -2","31","","","","- C90.45 H83.9 Ag2 Cl0.7 F12 N4 O1.5 P6 -","- C90.45 H83.9 Ag2 Cl0.7 F12 N4 O1.5 P6 -","- C361.8 H335.6 Ag8 Cl2.8 F48 N16 O6 P24 -","4","1","","Lin, Ronger; Yip, John H. K.","Self-Assembly, Structures, and Solution Dynamics of Emissive Silver Metallacycles and Helices","Inorganic Chemistry","2006","45","11","4423","4430","10.1021/ic060140v","","","0.71073","MoKα","","0.0473","0.0412","","","0.1158","0.1211","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332240","15.7878","0.0014","39.138","0.004","21.1625","0.0017","90","","111.148","0.002","90","","12195.7","1.9","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C131 H127 Ag3 B3 F12 O5 P6 -","- C131 H127 Ag3 B3 F12 O5 P6 -","- C524 H508 Ag12 B12 F48 O20 P24 -","4","1","","Lin, Ronger; Yip, John H. K.","Self-Assembly, Structures, and Solution Dynamics of Emissive Silver Metallacycles and Helices","Inorganic Chemistry","2006","45","11","4423","4430","10.1021/ic060140v","","","0.71073","MoKα","","0.1134","0.066","","","0.1513","0.1727","","","","","","0.966","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332241","10.7096","0.0011","16.0538","0.0017","17.4258","0.0019","90","","90","","90","","2996","0.5","203","2","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Cl2 F5 N3 O Ti -","- C25 H36 Cl2 F5 N3 O Ti -","- C100 H144 Cl8 F20 N12 O4 Ti4 -","4","1","","Oakes, Daniel C. H.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","Highly Active Titanium-Based Olefin Polymerization Catalysts Supported by Bidentate Phenoxyamide Ligands","Inorganic Chemistry","2006","45","9","3476","3477","10.1021/ic060146k","","","0.71073","MoKα","","0.0667","0.047","","","0.1005","0.1083","","","","","","1.021","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332242","11.788","0.0017","17.887","0.003","14.158","0.002","90","","93.988","0.002","90","","2978","0.8","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cu2 N4 O13 P2 V2 -","- C25 H20 Cu2 N4 O13 P2 V2 -","- C100 H80 Cu8 N16 O52 P8 V8 -","4","1","","Ushak, Svetlana; Spodine, Evgenia; Le Fur, Eric; Venegas-Yazigi, Diego; Pivan, Jean-Yves; Schnelle, Walter; Cardoso-Gil, Raul; Kniep, Rüdiger","Two New Hybrid Organic/Inorganic Copper(II)−Oxovanadate(V) Diphosphonates: [Cu2(phen)2(O3PCH2PO3)(V2O5)(H2O)]·H2O and [Cu2(phen)2(O3P(CH2)3PO3)(V2O5)]·C3H8. Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2006","45","14","5393","5398","10.1021/ic060152g","","","0.71073","MoKα","","0.0667","0.0473","","","0.1041","0.1125","","","","","","1.041","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332243","11.0247","0.0013","18.664","0.002","15.0544","0.0017","90","","90.063","0.002","90","","3097.7","0.6","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Cu2 N4 O11 P2 V2 -","- C30 H30 Cu2 N4 O11 P2 V2 -","- C120 H120 Cu8 N16 O44 P8 V8 -","4","0.5","","Ushak, Svetlana; Spodine, Evgenia; Le Fur, Eric; Venegas-Yazigi, Diego; Pivan, Jean-Yves; Schnelle, Walter; Cardoso-Gil, Raul; Kniep, Rüdiger","Two New Hybrid Organic/Inorganic Copper(II)−Oxovanadate(V) Diphosphonates: [Cu2(phen)2(O3PCH2PO3)(V2O5)(H2O)]·H2O and [Cu2(phen)2(O3P(CH2)3PO3)(V2O5)]·C3H8. Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2006","45","14","5393","5398","10.1021/ic060152g","","","0.71073","MoKα","","0.0541","0.0445","","","0.1297","0.135","","","","","","1.044","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332244","8.701","0.005","9.057","0.005","9.267","0.005","74.079","0.011","79.883","0.011","80.106","0.01","685.4","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H16 Ag5 N9 -","- C25 H16 Ag5 N9 -","- C25 H16 Ag5 N9 -","1","1","","Liu, Xi; Guo,; Fu, Ming-Lai; Liu, Xue-Hui; Wang, Ming-Sheng; Huang, Jin-Shun","Three Novel Silver Complexes with Ligand-Unsupported Argentophilic Interactions and Their Luminescent Properties","Inorganic Chemistry","2006","45","9","3679","3685","10.1021/ic0601539","","","0.71073","MoKα","","0.0653","0.0501","","","0.148","0.17","","","","","","1.002","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332245","4.2953","0.0004","13.2831","0.0009","14.0109","0.0008","72.69","0.011","88.891","0.013","86.327","0.014","761.62","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H16 Ag5 N9 S4 -","- C25 H16 Ag5 N9 S4 -","- C25 H16 Ag5 N9 S4 -","1","0.5","","Liu, Xi; Guo,; Fu, Ming-Lai; Liu, Xue-Hui; Wang, Ming-Sheng; Huang, Jin-Shun","Three Novel Silver Complexes with Ligand-Unsupported Argentophilic Interactions and Their Luminescent Properties","Inorganic Chemistry","2006","45","9","3679","3685","10.1021/ic0601539","","","0.71073","MoKα","","0.0658","0.0492","","","0.1258","0.1425","","","","","","1.002","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332246","11.4303","0.0015","8.8546","0.0008","15.6","0.002","90","","114.81","0.002","90","","1433.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Ag3 K0 N5 -","- C8 H12 Ag3 N5 -","- C32 H48 Ag12 N20 -","4","1","","Liu, Xi; Guo,; Fu, Ming-Lai; Liu, Xue-Hui; Wang, Ming-Sheng; Huang, Jin-Shun","Three Novel Silver Complexes with Ligand-Unsupported Argentophilic Interactions and Their Luminescent Properties","Inorganic Chemistry","2006","45","9","3679","3685","10.1021/ic0601539","","","0.71073","MoKα","","0.0622","0.057","","","0.2118","0.223","","","","","","1.001","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332247","12.1358","0.0014","14.3945","0.0017","16.6517","0.0019","86.731","0.001","89.616","0.002","70.294","0.001","2733.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H53 Ag4 Cl4 N25 O17 -","- C26 H51 Ag4 Cl4 N25 O17 -","- C52 H102 Ag8 Cl8 N50 O34 -","2","1","","Wang, Ying; Yi, Long; Yang, Xing; Ding, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, Crystal Structure, and Characterization of New Tetranuclear Ag(I) Complexes with Triazole Bridges","Inorganic Chemistry","2006","45","15","5822","5829","10.1021/ic060155t","","","0.71073","MoKα","","0.0515","0.0377","","","0.1054","0.1102","","","","","","1.08","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332248","10.916","0.005","14.096","0.007","14.855","0.007","73.113","0.006","68.652","0.006","75.128","0.006","2007.7","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H29 Ag2 As2 F12 N13 O4 -","- C29 H27 Ag2 As2 F12 N13 O4 -","- C58 H54 Ag4 As4 F24 N26 O8 -","2","1","","Wang, Ying; Yi, Long; Yang, Xing; Ding, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, Crystal Structure, and Characterization of New Tetranuclear Ag(I) Complexes with Triazole Bridges","Inorganic Chemistry","2006","45","15","5822","5829","10.1021/ic060155t","","","0.71073","MoKα","","0.0856","0.0578","","","0.1767","0.2004","","","","","","1.025","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332249","10.385","0.005","11.587","0.006","16.145","0.008","71.728","0.005","78.92","0.006","70.204","0.006","1727.7","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H22 Ag2 F6 N15 O6.5 S2 -","- C23 H22 Ag2 F6 N15 O6.5 S2 -","- C46 H44 Ag4 F12 N30 O13 S4 -","2","1","","Wang, Ying; Yi, Long; Yang, Xing; Ding, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, Crystal Structure, and Characterization of New Tetranuclear Ag(I) Complexes with Triazole Bridges","Inorganic Chemistry","2006","45","15","5822","5829","10.1021/ic060155t","","","0.71073","MoKα","","0.0594","0.0405","","","0.1121","0.1193","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332250","10.5018","0.0012","11.7713","0.0012","13.8021","0.0014","74.066","0.001","82.362","0.001","67.75","0.001","1517.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Ag2 Cl2 N15 O8 -","- C21 H20 Ag2 Cl2 N15 O8 -","- C42 H40 Ag4 Cl4 N30 O16 -","2","1","","Wang, Ying; Yi, Long; Yang, Xing; Ding, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, Crystal Structure, and Characterization of New Tetranuclear Ag(I) Complexes with Triazole Bridges","Inorganic Chemistry","2006","45","15","5822","5829","10.1021/ic060155t","","","0.71073","MoKα","","0.0511","0.0396","","","0.1093","0.1149","","","","","","1.07","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332251","19.313","0.003","12.0597","0.0019","29.931","0.005","90","","96.289","0.003","90","","6929.2","1.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H46.5 Ag4 F24 N31 O0.75 P4 -","- C44 H45 Ag4 F24 N31 O0.75 P4 -","- C176 H180 Ag16 F96 N124 O3 P16 -","4","1","","Wang, Ying; Yi, Long; Yang, Xing; Ding, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, Crystal Structure, and Characterization of New Tetranuclear Ag(I) Complexes with Triazole Bridges","Inorganic Chemistry","2006","45","15","5822","5829","10.1021/ic060155t","","","0.71073","MoKα","","0.1356","0.0563","","","0.1467","0.1721","","","","","","0.876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332252","15.412","0.005","25.957","0.005","25.514","0.003","90","","107.579","0.013","90","","9730","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Cu[1-(3-[1,10]phenanthrolin-2-yl-phenyl)- 3-(4-trifluoromethyl-phenyl)-urea]2Cl","","- C52 H34 Cl Cu F6 N8 O2 -","- C52 H34 Cl Cu F6 N8 O2 -","- C416 H272 Cl8 Cu8 F48 N64 O16 -","8","2","","Amendola, Valeria; Boiocchi, Massimo; Colasson, Benoît; Fabbrizzi, Luigi","Metal-Controlled Assembly and Selectivity of a Urea-Based Anion Receptor","Inorganic Chemistry","2006","45","16","6138","6147","10.1021/ic060160x","","","0.71069","MoKα","","0.1078","0.0928","","","0.224","0.2341","","","","","","1.161","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332253","8.2156","0.0016","8.8229","0.0018","15.84","0.003","102.88","0.03","97.93","0.03","94.94","0.03","1100.4","0.4","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C15 H15 Cu3 I N3 O Se3 W -","- C15 H15 Cu3 I N3 O Se3 W -","- C30 H30 Cu6 I2 N6 O2 Se6 W2 -","2","1","","Zhang, Qian-Feng; Yu, Zhan; Ding, Jihai; Song, Yinglin; Rothenberger, Alexander; Fenske, Dieter; Leung, Wa-Hung","Construction of New Heteroselenometallic Clusters: Formation of Crownlike [Et4N]4[(μ5-WSe4)(CuI)5(μ-I)2] and Octahedral Polymeric [(μ6-WSe4)Cu6I4(py)4]nfrom Planar [Et4N]4[(μ4-WSe4)Cu4I6] with Additional Faces","Inorganic Chemistry","2006","45","13","5187","5195","10.1021/ic060161p","","","0.71073","MoKα","","0.0626","0.0581","","","0.1178","0.1258","","","","","","1.023","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332254","14.811","0.002","14.811","0.002","15.595","0.003","90","","90","","90","","3421","0.9","120","2","120","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C20 H20 Cu6 I4 N4 Se4 W -","- C20 H20 Cu6 I4 N4 Se4 W -","- C80 H80 Cu24 I16 N16 Se16 W4 -","4","0.25","","Zhang, Qian-Feng; Yu, Zhan; Ding, Jihai; Song, Yinglin; Rothenberger, Alexander; Fenske, Dieter; Leung, Wa-Hung","Construction of New Heteroselenometallic Clusters: Formation of Crownlike [Et4N]4[(μ5-WSe4)(CuI)5(μ-I)2] and Octahedral Polymeric [(μ6-WSe4)Cu6I4(py)4]nfrom Planar [Et4N]4[(μ4-WSe4)Cu4I6] with Additional Faces","Inorganic Chemistry","2006","45","13","5187","5195","10.1021/ic060161p","","","0.71073","MoKα","","0.0467","0.0466","","","0.1175","0.1177","","","","","","1.108","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332255","12.4643","0.0003","12.4643","0.0003","18.7577","0.0005","90","","90","","90","","2914.17","0.13","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H37 N3 O17 P3 Tb -","- C18 H37 N3 O17 P3 Tb -","- C72 H148 N12 O68 P12 Tb4 -","4","1","","Yue, Qi; Yang, Jin; Li, Guang-Hua; Li, Guo-Dong; Chen, Jie-Sheng","Homochiral Porous Lanthanide Phosphonates with 1D Triple-Strand Helical Chains: Synthesis, Photoluminescence, and Adsorption Properties","Inorganic Chemistry","2006","45","11","4431","4439","10.1021/ic060162h","","","0.71073","MoKα","","0.0513","0.0394","","","0.0625","0.066","","","","","","0.953","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332256","12.4486","0.0003","12.4486","0.0003","18.7626","0.0005","90","","90","","90","","2907.6","0.13","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H37 Dy N3 O17 P3 -","- C18 H37 Dy N3 O17 P3 -","- C72 H148 Dy4 N12 O68 P12 -","4","1","","Yue, Qi; Yang, Jin; Li, Guang-Hua; Li, Guo-Dong; Chen, Jie-Sheng","Homochiral Porous Lanthanide Phosphonates with 1D Triple-Strand Helical Chains: Synthesis, Photoluminescence, and Adsorption Properties","Inorganic Chemistry","2006","45","11","4431","4439","10.1021/ic060162h","","","0.71073","MoKα","","0.0372","0.0302","","","0.0558","0.0583","","","","","","1.001","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332257","12.4799","0.0003","12.4799","0.0003","18.8239","0.0005","90","","90","","90","","2931.78","0.13","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H37 Eu N3 O17 P3 -","- C18 H37 Eu N3 O17 P3 -","- C72 H148 Eu4 N12 O68 P12 -","4","1","","Yue, Qi; Yang, Jin; Li, Guang-Hua; Li, Guo-Dong; Chen, Jie-Sheng","Homochiral Porous Lanthanide Phosphonates with 1D Triple-Strand Helical Chains: Synthesis, Photoluminescence, and Adsorption Properties","Inorganic Chemistry","2006","45","11","4431","4439","10.1021/ic060162h","","","0.71073","MoKα","","0.0294","0.0245","","","0.0526","0.055","","","","","","1.044","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332258","12.4877","0.0018","12.4877","0.0018","18.824","0.004","90","","90","","90","","2935.5","0.9","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H37 Gd N3 O17 P3 -","- C18 H37 Gd N3 O17 P3 -","- C72 H148 Gd4 N12 O68 P12 -","4","1","","Yue, Qi; Yang, Jin; Li, Guang-Hua; Li, Guo-Dong; Chen, Jie-Sheng","Homochiral Porous Lanthanide Phosphonates with 1D Triple-Strand Helical Chains: Synthesis, Photoluminescence, and Adsorption Properties","Inorganic Chemistry","2006","45","11","4431","4439","10.1021/ic060162h","","","0.71073","MoKα","","0.0396","0.0326","","","0.0587","0.0619","","","","","","1.09","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332259","12.1192","0.0007","16.2489","0.001","18.3007","0.0011","93.104","0.002","95.809","0.002","111.252","0.001","3325.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","lead oxide bromide/chloride","","","- Br1.25 Cl O2.75 Pb3.88 -","- Br1.25 Cl O2.75 Pb3.875 -","- Br20 Cl16 O44 Pb62 -","16","8","","Krivovichev, Sergey V.; Siidra, Oleg I.; Nazarchuk, Evgenii V.; Burns, Peter C.; Depmeier, Wulf","Particular Topological Complexity of Lead Oxide Blocks in Pb31O22X18(X = Br, Cl)","Inorganic Chemistry","2006","45","10","3846","3848","10.1021/ic060166m","","","0.71073","MoKα","","0.1604","0.0655","","","0.1211","0.1453","","","","","","0.798","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332260","24.7528","0.0007","14.8648","0.0004","18.6915","0.0003","90","","110.13","0.0014","90","","6457.3","0.3","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cu2 F12 O10 -","- C22 H28 Cu2 F12 O10 -","- C176 H224 Cu16 F96 O80 -","8","1","","Lopez, Nazario; Vos, Thomas E.; Arif, Atta M.; Shum, William W.; Noveron, Juan C.; Miller, Joel S.","Structure and Magnetic Properties of a Hydroxo-Bridged Copper(II) Distorted Cubane Stabilized via Supramolecular Hydrogen Bonding with an Ionic Hexafluoroacetylacetonate","Inorganic Chemistry","2006","45","11","4325","4327","10.1021/ic060167e","","","0.71073","MoKα","","0.0751","0.0517","","","0.1314","0.1458","","","","","","1.039","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332261","16.862","0.003","26.337","0.005","26.737","0.005","90","","124.136","0.003","90","","9828","3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H122 Co2 N4 O9 -","- C96 H114 Co2 N4 O8 -","- C384 H456 Co8 N16 O32 -","4","1","","Bin-Salamon, Sofi; Brewer, Scott H.; Depperman, Ezra C.; Franzen, Stefan; Kampf, Jeff W.; Kirk, Martin L.; Kumar, R. Krishna; Lappi, Simon; Peariso, Katrina; Preuss, Kathryn E.; Shultz, David A.","Testing Bridge-Mediated Differences in Dinuclear Valence Tautomeric Behavior","Inorganic Chemistry","2006","45","11","4461","4467","10.1021/ic060170y","","","0.71073","MoKα","","0.1612","0.0755","","","0.1447","0.1618","","","","","","1.007","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332262","20.633","0.004","19.207","0.003","24.055","0.004","90","","95.452","0.007","90","","9490","3","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C107 H130 Co2 N4 O8 -","- C107 H130 Co2 N4 O8 -","- C428 H520 Co8 N16 O32 -","4","1","","Bin-Salamon, Sofi; Brewer, Scott H.; Depperman, Ezra C.; Franzen, Stefan; Kampf, Jeff W.; Kirk, Martin L.; Kumar, R. Krishna; Lappi, Simon; Peariso, Katrina; Preuss, Kathryn E.; Shultz, David A.","Testing Bridge-Mediated Differences in Dinuclear Valence Tautomeric Behavior","Inorganic Chemistry","2006","45","11","4461","4467","10.1021/ic060170y","","","0.71073","MoKα","","0.1606","0.0753","","","0.1692","0.2167","","","","","","1.004","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332263","8.3458","0.0017","9.9","0.002","10.238","0.002","93.283","0.005","108.668","0.005","112.034","0.005","727.6","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H52 O2 P2 Ru Si2 -","- C22 H52 O2 P2 Ru Si2 -","- C22 H52 O2 P2 Ru Si2 -","1","0.5","","Walstrom, Amy; Pink, Maren; Caulton, Kenneth G.","Si−N Bond Hydrolysis Furnishes a Planar 4-Coordinate 14-Electron Ru(II) Complex with a Triplet Ground State","Inorganic Chemistry","2006","45","14","5617","5620","10.1021/ic0601743","","","0.71073","MoKα","","0.0227","0.0213","","","0.0545","0.0556","","","","","","1.059","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332264","8.5097","0.0003","9.3073","0.0003","10.7481","0.0004","69.903","0.001","83.881","0.001","66.512","0.001","732.75","0.05","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H52 O2 P2 Ru Si2 -","- C22 H52 O2 P2 Ru Si2 -","- C22 H52 O2 P2 Ru Si2 -","1","0.5","","Walstrom, Amy; Pink, Maren; Caulton, Kenneth G.","Si−N Bond Hydrolysis Furnishes a Planar 4-Coordinate 14-Electron Ru(II) Complex with a Triplet Ground State","Inorganic Chemistry","2006","45","14","5617","5620","10.1021/ic0601743","","","0.71073","MoKα","","0.0292","0.0262","","","0.0677","0.0703","","","","","","1.109","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332265","8.237","0.003","8.237","0.003","6.555","0.003","90","","90","","120","","385.2","0.3","295","2","295","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Ag Cl H12 N4 O4 -","- Ag Cl H10.41 N3.47 O3.96 -","- Ag2 Cl2 H20.82 N6.94 O7.92 -","2","0.166667","","Nilsson, Kersti B.; Persson, Ingmar; Kessler, Vadim G.","Coordination Chemistry of the Solvated AgIand AuIIons in Liquid and Aqueous Ammonia, Trialkyl and Triphenyl Phosphite, and Tri-n-butylphosphine Solutions","Inorganic Chemistry","2006","45","17","6912","6921","10.1021/ic060175v","","","0.71073","MoKα","","0.0504","0.0363","","","0.092","0.0964","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332266","10.217","0.0009","15.4684","0.0013","26.108","0.002","82.207","0.007","83.44","0.007","70.071","0.008","3832.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H47 N11 Se Zn -","- C39 H47 N11 Se Zn -","- C156 H188 N44 Se4 Zn4 -","4","2","","Goslinski, Tomasz; Zhong, Chang; Fuchter, Matthew J.; Stern, Charlotte L.; White, Andrew J. P.; Barrett, Anthony G. M.; Hoffman, Brian M.","Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes","Inorganic Chemistry","2006","45","9","3686","3694","10.1021/ic060176n","","","0.71073","MoKα","","0.0824","0.0756","","","0.1673","0.1724","","","","","","1.167","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332267","14.884","0.002","18.786","0.003","29.167","0.004","80.101","0.012","82.475","0.013","86.301","0.012","7957","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C83.75 H99 N10 O2.75 Se Zn -","- C83.75 H98 N10 O2.75 Se Zn -","- C335 H392 N40 O11 Se4 Zn4 -","4","2","","Goslinski, Tomasz; Zhong, Chang; Fuchter, Matthew J.; Stern, Charlotte L.; White, Andrew J. P.; Barrett, Anthony G. M.; Hoffman, Brian M.","Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes","Inorganic Chemistry","2006","45","9","3686","3694","10.1021/ic060176n","","","1.54248","CuKα","","0.3059","0.1378","","","0.3317","0.4499","","","","","","1.13","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332268","11.17","0.003","16.138","0.004","16.255","0.004","115.726","0.003","95.645","0.004","100.672","0.004","2540.6","1.1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H70 N10 O6 S Zn -","- C46 H48 N10 O6 S2 Zn -","- C92 H96 N20 O12 S4 Zn2 -","2","1","","Goslinski, Tomasz; Zhong, Chang; Fuchter, Matthew J.; Stern, Charlotte L.; White, Andrew J. P.; Barrett, Anthony G. M.; Hoffman, Brian M.","Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes","Inorganic Chemistry","2006","45","9","3686","3694","10.1021/ic060176n","","","0.71073","MoKα","","0.1145","0.0737","","","0.2107","0.2412","","","","","","1.055","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332269","12.7189","0.0006","15.0091","0.0007","16.2443","0.0006","108.615","0.004","96.78","0.004","110.697","0.004","2654.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H61 N13 O2 Zn -","- C59 H61 N13 O2 Zn -","- C118 H122 N26 O4 Zn2 -","2","1","","Goslinski, Tomasz; Zhong, Chang; Fuchter, Matthew J.; Stern, Charlotte L.; White, Andrew J. P.; Barrett, Anthony G. M.; Hoffman, Brian M.","Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes","Inorganic Chemistry","2006","45","9","3686","3694","10.1021/ic060176n","","","0.71073","MoKα","","0.0793","0.0745","","","0.1722","0.1767","","","","","","1.166","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332270","12.1703","0.0005","15.7922","0.0007","17.5468","0.0007","90.108","0.003","90.338","0.003","111.202","0.004","3144.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H71 N15 O2 Zn -","- C69 H71 N15 O2 Zn -","- C138 H142 N30 O4 Zn2 -","2","1","","Goslinski, Tomasz; Zhong, Chang; Fuchter, Matthew J.; Stern, Charlotte L.; White, Andrew J. P.; Barrett, Anthony G. M.; Hoffman, Brian M.","Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes","Inorganic Chemistry","2006","45","9","3686","3694","10.1021/ic060176n","","","0.71073","MoKα","","0.0866","0.0823","","","0.1905","0.1944","","","","","","1.157","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332271","14.4592","0.0019","18.004","0.004","19.772","0.002","97.654","0.016","100.365","0.01","112.803","0.014","4549","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C102.25 H99.5 N13.1 O2.25 Zn -","- C102.25 H99.5 N13.1 O2.25 Zn -","- C204.5 H199 N26.2 O4.5 Zn2 -","2","1","","Goslinski, Tomasz; Zhong, Chang; Fuchter, Matthew J.; Stern, Charlotte L.; White, Andrew J. P.; Barrett, Anthony G. M.; Hoffman, Brian M.","Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes","Inorganic Chemistry","2006","45","9","3686","3694","10.1021/ic060176n","","","1.54248","CuKα","","0.2366","0.1486","","","0.3432","0.4132","","","","","","1.218","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332272","17.257","0.0017","17.257","0.0017","39.409","0.004","90","","90","","90","","11736","2","173","2","173","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C120 H144 Cu2 N24 O10 Zn2 -","- C112 H118 Cu2 N24 O6 Zn2 -","- C448 H472 Cu8 N96 O24 Zn8 -","4","0.5","","Goslinski, Tomasz; Zhong, Chang; Fuchter, Matthew J.; Stern, Charlotte L.; White, Andrew J. P.; Barrett, Anthony G. M.; Hoffman, Brian M.","Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes","Inorganic Chemistry","2006","45","9","3686","3694","10.1021/ic060176n","","","1.54248","CuKα","","0.1859","0.1671","","","0.4492","0.461","","","","","","1.657","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332273","10.7996","0.0015","15.203","0.003","16.414","0.002","91.961","0.018","108.348","0.012","106.412","0.014","2431.2","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H59 Cl Cu Fe N11 O2 -","- C51 H59 Cl Cu Fe N11 O2 -","- C102 H118 Cl2 Cu2 Fe2 N22 O4 -","2","1","","Goslinski, Tomasz; Zhong, Chang; Fuchter, Matthew J.; Stern, Charlotte L.; White, Andrew J. P.; Barrett, Anthony G. M.; Hoffman, Brian M.","Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes","Inorganic Chemistry","2006","45","9","3686","3694","10.1021/ic060176n","","","1.54248","CuKα","","0.1109","0.0706","","","0.184","0.2161","","","","","","0.958","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332274","17.7284","0.0018","33.542","0.003","34.316","0.002","90","","90","","90","","20406","3","150","1","150","1","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C128 H288 N8 Nb20 O54 -","- C132 N8 Nb20 O57 -","- C528 N32 Nb80 O228 -","4","1","","Maekawa, Masaki; Ozawa, Yoshiki; Yagasaki, Atsushi","Icosaniobate: A New Member of the Isoniobate Family","Inorganic Chemistry","2006","45","24","9608","9609","10.1021/ic0601788","","","0.71073","MoKα","","0.064","0.0611","","","0.1758","0.178","","","","","","1.08","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332275","30.598","0.016","7.779","0.003","22.26","0.011","90","","133.846","0.005","90","","3821","3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phosphine","Diphenyl[2-(1-phenylhydrazo)phenyl]phosphine","","- C24 H21 N2 P -","- C24 H21 N2 P -","- C192 H168 N16 P8 -","8","1","","Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki","Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group","Inorganic Chemistry","2006","45","16","6497","6507","10.1021/ic0601790","","","0.7107","MoKα","","0.0435","0.0322","","","0.0714","0.0765","","","","","","0.974","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332276","41.913","0.017","9.86","0.003","19.628","0.008","90","","102.913","0.0018","90","","7906","5","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","phosphine oxide","Diphenyl[2-(1-phenylhydrazo)phenyl]phosphine oxide","","- C24 H21 N2 O P -","- C24 H21 N2 O P -","- C384 H336 N32 O16 P16 -","16","4","","Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki","Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group","Inorganic Chemistry","2006","45","16","6497","6507","10.1021/ic0601790","","","0.7107","MoKα","","0.0342","0.0311","","","0.0672","0.0699","","","","","","1.068","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332277","11.418","0.005","7.589","0.003","23.392","0.01","90","","90.4546","0.0016","90","","2026.9","1.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphine sulfide","Diphenyl[2-(1-phenylhydrazo)phenyl]phosphine sulfide","","- C24 H21 N2 P S -","- C24 H21 N2 P S -","- C96 H84 N8 P4 S4 -","4","1","","Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki","Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group","Inorganic Chemistry","2006","45","16","6497","6507","10.1021/ic0601790","","","0.7107","MoKα","","0.0568","0.0446","","","0.1261","0.1326","","","","","","1.056","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332278","10.57","0.003","25.13","0.007","15.553","0.004","90","","94.164","0.0014","90","","4120","2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","phosphine selenide","Diphenyl[2-(1-phenylhydrazo)phenyl]phosphine selenide","","- C24 H21 N2 P Se -","- C24 H21 N2 P Se -","- C192 H168 N16 P8 Se8 -","8","2","","Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki","Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group","Inorganic Chemistry","2006","45","16","6497","6507","10.1021/ic0601790","","","0.7107","MoKα","","0.0338","0.0297","","","0.0727","0.0754","","","","","","1.075","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332279","10.079","0.007","9.815","0.007","20.357","0.014","90","","97.234","0.003","90","","1998","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphine oxide","Diphenyl[2-(phenylazo)phenyl]phosphine oxide","","- C24 H19 N2 O P -","- C24 H19 N2 O P -","- C96 H76 N8 O4 P4 -","4","1","","Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki","Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group","Inorganic Chemistry","2006","45","16","6497","6507","10.1021/ic0601790","","","0.7107","MoKα","","0.0803","0.0621","","","0.184","0.1972","","","","","","1.102","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332280","9.171","0.003","14.59","0.005","15.752","0.005","90","","101.126","0.0016","90","","2068.1","1.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","phosphine sulfide","Diphenyl[2-(phenylazo)phenyl]phosphine sulfide","","- C24 H19 N2 P S -","- C24 H19 N2 P S -","- C96 H76 N8 P4 S4 -","4","2","","Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki","Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group","Inorganic Chemistry","2006","45","16","6497","6507","10.1021/ic0601790","","","0.7107","MoKα","","0.0222","0.0218","","","0.0557","0.0561","","","","","","1.048","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332281","8.604","0.004","23.038","0.009","20.764","0.009","90","","91.7375","0.0015","90","","4114","3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","phosphine selenide","Diphenyl[2-(phenylazo)phenyl]phosphine selenide","","- C24 H19 N2 P Se -","- C24 H19 N2 P Se -","- C192 H152 N16 P8 Se8 -","8","2","","Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki","Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group","Inorganic Chemistry","2006","45","16","6497","6507","10.1021/ic0601790","","","0.7107","MoKα","","0.0632","0.0533","","","0.1421","0.1519","","","","","","1.109","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332282","10.1017","0.0005","10.1017","0.0005","42.334","0.004","90","","90","","120","","3741.2","0.4","120","2","120","2","","","","","","","","7","P 61","P 61","169","phosphonium triflate","hydroxydiphenyl[2-(phenylazo)phenyl]phosphonium triflate","","- C25 H20 F3 N2 O4 P S -","- C25 H20 F3 N2 O4 P S -","- C150 H120 F18 N12 O24 P6 S6 -","6","1","","Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki","Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group","Inorganic Chemistry","2006","45","16","6497","6507","10.1021/ic0601790","","","0.7107","MoKα","","0.04","0.0314","","","0.0492","0.0531","","","","","","0.894","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332283","25.3","0.001","15.3074","0.0006","18.6765","0.0007","90","","99.957","0.002","90","","7124","0.5","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl14 O6 S -","- C22 Cl14 O5.995 S -","- C176 Cl112 O47.96 S8 -","8","2","","Ribas, Xavi; Maspoch, Daniel; Wurst, Klaus; Veciana, Jaume; Rovira, Concepció","Coordination Capabilities of a Novel Organic Polychlorotriphenylmethyl Monosulfonate Radical","Inorganic Chemistry","2006","45","14","5383","5392","10.1021/ic060182j","","","0.71073","MoKα","","0.1124","0.0687","","","0.167","0.1861","","","","","","1.033","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332284","8.7847","0.0003","8.8026","0.0002","24.6455","0.0008","84.876","0.002","87.119","0.002","82.879","0.002","1882.05","0.1","233","2","233","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H34 Cl28 Cu N2 O14 S2 -","- C52 H34 Cl28 Cu N2 O14 S2 -","- C52 H34 Cl28 Cu N2 O14 S2 -","1","0.5","","Ribas, Xavi; Maspoch, Daniel; Wurst, Klaus; Veciana, Jaume; Rovira, Concepció","Coordination Capabilities of a Novel Organic Polychlorotriphenylmethyl Monosulfonate Radical","Inorganic Chemistry","2006","45","14","5383","5392","10.1021/ic060182j","","","0.71073","MoKα","","0.0443","0.04","","","0.0882","0.0902","","","","","","1.079","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332285","8.76","0.003","15.449","0.006","16.617","0.005","84.77","0.02","83.07","0.02","82.44","0.01","2206.5","1.3","290","2","290","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H60 Cl28 Cu N4 O12 S2 -","- C60 H24 Cl28 Cu N4 O12 S2 -","- C60 H24 Cl28 Cu N4 O12 S2 -","1","0.5","","Ribas, Xavi; Maspoch, Daniel; Wurst, Klaus; Veciana, Jaume; Rovira, Concepció","Coordination Capabilities of a Novel Organic Polychlorotriphenylmethyl Monosulfonate Radical","Inorganic Chemistry","2006","45","14","5383","5392","10.1021/ic060182j","","","0.71073","MoKα","","0.1689","0.0932","","","0.1761","0.2013","","","","","","1.055","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332286","14.0586","0.0019","7.8792","0.0011","20.815","0.003","90","","108.028","0.002","90","","2192.5","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 B Ir N6 O3 -","- C17 H24 B Ir N6 O3 -","- C68 H96 B4 Ir4 N24 O12 -","4","1","","Elliott, Paul I. P.; Haslam, Claire E.; Spey, Sharon E.; Haynes, Anthony","Formation and Reactivity of Ir(III) Hydroxycarbonyl Complexes","Inorganic Chemistry","2006","45","16","6269","6275","10.1021/ic0601844","","","0.71073","MoKα","","0.0723","0.0491","","","0.1099","0.1281","","","","","","1.086","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332287","4.6","0.0006","4.6","0.0006","7.437","0.0011","90","","90","","90","","157.37","0.04","293","2","293","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- In5 Rh Tb -","- In5 Rh Tb -","- In5 Rh Tb -","1","0.0625","","Williams, Willa M.; Pham, Long; MaQuilon, Samuel; Moldovan, Monica; Fisk, Zachary; Young, David P.; Chan, Julia Y.","Crystal Growth, Structure, Magnetic, and Transport Properties of TbRhIn5","Inorganic Chemistry","2006","45","12","4637","4641","10.1021/ic060185w","","","0.71073","MoKα","","0.045","0.0432","","","0.0811","0.0833","","","","","","1.199","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332288","10.1179","0.0013","13.5649","0.0017","19.688","0.003","71.97","0.001","81.28","0.001","68.866","0.001","2394.2","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 I P3 -","- C26 H24 I P3 -","- C104 H96 I4 P12 -","4","2","","Ellis, Bobby D.; Macdonald, Charles L. B.","Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds","Inorganic Chemistry","2006","45","17","6864","6874","10.1021/ic060186o","","","0.71073","mokα","","0.0694","0.0596","","","0.1177","0.124","","","","","","1.299","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332289","10.9315","0.001","19.2143","0.0018","12.9085","0.0012","90","","110.931","0.002","90","","2532.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 I P3 -","- C27 H26 I P3 -","- C108 H104 I4 P12 -","4","1","","Ellis, Bobby D.; Macdonald, Charles L. B.","Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds","Inorganic Chemistry","2006","45","17","6864","6874","10.1021/ic060186o","","","0.71073","MoKα","","0.0241","0.0206","","","0.0507","0.0522","","","","","","1.033","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332290","12.0031","0.0008","17.5742","0.0012","19.6302","0.0013","90","","100.893","0.001","90","","4066.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 B P3 -","- C50 H44 B P3 -","- C200 H176 B4 P12 -","4","1","","Ellis, Bobby D.; Macdonald, Charles L. B.","Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds","Inorganic Chemistry","2006","45","17","6864","6874","10.1021/ic060186o","","","0.71073","MoKα","","0.0578","0.0435","","","0.1121","0.1238","","","","","","1.011","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332291","12.244","0.003","17.883","0.003","21.258","0.004","90","","114.957","0.01","90","","4220","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H46 B P3 -","- C51 H46 B P3 -","- C204 H184 B4 P12 -","4","1","","Ellis, Bobby D.; Macdonald, Charles L. B.","Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds","Inorganic Chemistry","2006","45","17","6864","6874","10.1021/ic060186o","","","0.71073","MoKα","","0.2144","0.0626","","","0.1008","0.146","","","","","","0.962","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332292","9.303","0.003","15.661","0.005","11.127","0.003","90","","109.605","0.003","90","","1527.2","0.8","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C29 H28 Cl2 F3 O3 P3 S -","- C29 H28 Cl2 F3 O3 P3 S -","- C58 H56 Cl4 F6 O6 P6 S2 -","2","0.5","","Ellis, Bobby D.; Macdonald, Charles L. B.","Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds","Inorganic Chemistry","2006","45","17","6864","6874","10.1021/ic060186o","","","0.71073","MoKα","","0.1901","0.1213","","","0.2778","0.3162","","","","","","1.089","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332293","12.69","0.008","15.736","0.009","17.815","0.008","90","","131.57","0.03","90","","2662","3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 F6 P4 -","- C27 H26 F6 P4 -","- C108 H104 F24 P16 -","4","1","","Ellis, Bobby D.; Macdonald, Charles L. B.","Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds","Inorganic Chemistry","2006","45","17","6864","6874","10.1021/ic060186o","","","0.71073","MoKα","","0.1231","0.0938","","","0.2195","0.2299","","","","","","1.199","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332294","9.7274","0.0016","14.815","0.003","21.255","0.003","90","","106.894","0.006","90","","2930.9","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl4 Ga P3 -","- C27 H26 Cl4 Ga P3 -","- C108 H104 Cl16 Ga4 P12 -","4","1","","Ellis, Bobby D.; Macdonald, Charles L. B.","Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds","Inorganic Chemistry","2006","45","17","6864","6874","10.1021/ic060186o","","","0.71073","MoKα","","0.0691","0.0505","","","0.101","0.1115","","","","","","1.148","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332295","15.2158","0.0008","15.2876","0.0008","12.3342","0.0006","90","","90","","90","","2869.1","0.3","173","2","173","2","","","","","","","","4","A e a 2","A 2 -2ab","41","bis(diphenylphosphino)ethane tetraiodine adduct","","","- C26 H24 I4 P2 -","- C26 H24 I4 P2 -","- C104 H96 I16 P8 -","4","0.5","","Ellis, Bobby D.; Macdonald, Charles L. B.","Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds","Inorganic Chemistry","2006","45","17","6864","6874","10.1021/ic060186o","","","0.71073","MoKα","","0.0188","0.0181","","","0.0411","0.0414","","","","","","1.04","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4332296","12.741","0.005","15.58","0.005","17.64","0.005","90","","133.479","0.017","90","","2540.9","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 B0.26 F1.03 I0.74 P3 -","- C27 H26 B0.258 F1.032 I0.742 P3 -","- C108 H104 B1.032 F4.128 I2.968 P12 -","4","1","","Ellis, Bobby D.; Macdonald, Charles L. B.","Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds","Inorganic Chemistry","2006","45","17","6864","6874","10.1021/ic060186o","","","0.71069","MoKα","","0.1317","0.1094","","","0.1893","0.1983","","","","","","1.265","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332297","27.56","0.005","27.56","0.005","10.5496","0.001","90","","90","","90","","8013","2","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C56.5 H84.75 Mn2 Mo4 N8.25 O9 S6 -","- C53 H72 Mn2 Mo4 N8 O6 S12 -","- C212 H288 Mn8 Mo16 N32 O24 S48 -","4","0.5","","Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Fletcher, Ashleigh J.; Bell, Jon; Thomas, K. Mark","Assembly of Heterometallic Clusters and Coordination Polymers by Combining Mo−S-Based Clusters with Mn2+","Inorganic Chemistry","2006","45","10","4284","4302","10.1021/ic060205u","","","0.71073","MoKα","","0.0737","0.0448","","","0.1055","0.1147","","","","","","1.064","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332298","11.9446","0.0011","12.1041","0.0009","17.342","0.0018","89.331","0.009","84.978","0.011","63.933","0.008","2242.6","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H100 Mn2 Mo4 N8 O12 S12 -","- C60 H76 Mn2 Mo4 N8 O6 S12 -","- C60 H76 Mn2 Mo4 N8 O6 S12 -","1","0.5","","Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Fletcher, Ashleigh J.; Bell, Jon; Thomas, K. Mark","Assembly of Heterometallic Clusters and Coordination Polymers by Combining Mo−S-Based Clusters with Mn2+","Inorganic Chemistry","2006","45","10","4284","4302","10.1021/ic060205u","","","0.71073","MoKα","","0.0576","0.0403","","","0.1137","0.1212","","","","","","1.078","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332299","12.1321","0.0005","19.3126","0.0007","17.2368","0.0006","90","","96.308","0.001","90","","4014.2","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Mn Mo2 N4 O5 S6 -","- C32 H44 Mn Mo2 N4 O5 S6 -","- C128 H176 Mn4 Mo8 N16 O20 S24 -","4","1","","Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Fletcher, Ashleigh J.; Bell, Jon; Thomas, K. Mark","Assembly of Heterometallic Clusters and Coordination Polymers by Combining Mo−S-Based Clusters with Mn2+","Inorganic Chemistry","2006","45","10","4284","4302","10.1021/ic060205u","","","0.71073","MoKα","","0.0541","0.0447","","","0.0938","0.0973","","","","","","1.322","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332300","15.3815","0.0008","18.2475","0.0009","23.9239","0.0012","90","","90","","90","","6714.8","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H36 Mn Mo2 N3 O6 S6 -","- C23 H36 Mn Mo2 N3 O6 S6 -","- C184 H288 Mn8 Mo16 N24 O48 S48 -","8","1","","Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Fletcher, Ashleigh J.; Bell, Jon; Thomas, K. Mark","Assembly of Heterometallic Clusters and Coordination Polymers by Combining Mo−S-Based Clusters with Mn2+","Inorganic Chemistry","2006","45","10","4284","4302","10.1021/ic060205u","","","0.71073","MoKα","","0.0789","0.0512","","","0.1172","0.1434","","","","","","1.162","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332301","16.2683","0.001","11.8808","0.0012","18.551","0.0007","90","","102.89","0.004","90","","3495.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Mn Mo2 N4 O4 S6 -","- C24 H24 Mn Mo2 N4 O2 S6 -","- C96 H96 Mn4 Mo8 N16 O8 S24 -","4","1","","Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Fletcher, Ashleigh J.; Bell, Jon; Thomas, K. Mark","Assembly of Heterometallic Clusters and Coordination Polymers by Combining Mo−S-Based Clusters with Mn2+","Inorganic Chemistry","2006","45","10","4284","4302","10.1021/ic060205u","","","0.71073","MoKα","","0.0507","0.0364","","","0.0871","0.0923","","","","","","1.047","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332302","14.3218","0.0015","26.6005","0.0015","30.184","0.003","90","","90","","90","","11499.1","1.8","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C68 H152 Mn2 Mo8 N4 O18 S24 -","- C68 H152 Mn2 Mo8 N4 O18 S24 -","- C272 H608 Mn8 Mo32 N16 O72 S96 -","4","1","","Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Fletcher, Ashleigh J.; Bell, Jon; Thomas, K. Mark","Assembly of Heterometallic Clusters and Coordination Polymers by Combining Mo−S-Based Clusters with Mn2+","Inorganic Chemistry","2006","45","10","4284","4302","10.1021/ic060205u","","","0.71073","MoKα","","0.0571","0.0364","","","0.0747","0.0836","","","","","","1.065","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332303","9.7689","0.0011","9.7689","0.0011","9.7689","0.0011","90","","90","","90","","932.26","0.18","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- In14 K3 Mg20 -","- In14 K3 Mg20 -","- In14 K3 Mg20 -","1","0.0208333","","Li, Bin; Corbett, John D.","Synthesis and Structure of K3Mg20In14, a Stuffed Variant of the BaHg11Structure Type with a Magnesium−Indium Network","Inorganic Chemistry","2006","45","10","3861","3863","10.1021/ic060215v","","","0.71073","MoKα","","0.0322","0.0267","","","0.0789","0.0809","","","","","","1.259","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332304","7.3114","0.0006","8.0108","0.0007","5.0255","0.0004","98.994","0.006","102.404","0.007","127.77","0.006","210.85","0.04","293","","298","","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-{(μ-pyrazine-2,5-dicarboxyato-N,O:N,O)-[diaquamanganese(II)]}","","- C6 H6 Mn N2 O6 -","- C6 H6 Mn N2 O6 -","- C6 H6 Mn N2 O6 -","1","0.5","","Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; García-Terán, Juan P.; Román, Pascual","Supramolecular Architectures and Magnetic Properties of Coordination Polymers Based on Pyrazinedicarboxylato Ligands Showing Embedded Water Clusters","Inorganic Chemistry","2006","45","14","5367","5382","10.1021/ic060221r","powder diffraction","","1.5418","CuKα","","","","","","","","","3.1233","2.3","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4332305","7.147","0.001","7.999","0.002","5.043","0.001","99.349","0.008","102.56","0.009","127.407","0.008","206.77","0.08","293","","298","","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-{(μ-pyrazine-2,5-dicarboxyato-N,O:N,O)-[diaquairon(II)]}","","- C6 H6 Fe N2 O6 -","- C6 H6 Fe N2 O6 -","- C6 H6 Fe N2 O6 -","1","0.5","","Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; García-Terán, Juan P.; Román, Pascual","Supramolecular Architectures and Magnetic Properties of Coordination Polymers Based on Pyrazinedicarboxylato Ligands Showing Embedded Water Clusters","Inorganic Chemistry","2006","45","14","5367","5382","10.1021/ic060221r","powder diffraction","","1.5418","CuKα","","","","","","","","","3.9714","1.52","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4332306","7.0341","0.0007","7.8999","0.0008","5.0822","0.0005","99.464","0.006","102.641","0.007","126.918","0.006","203.85","0.05","293","","298","","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-{(μ-pyrazine-2,5-dicarboxyato-N,O:N,O)-[diaquazinc(II)]}","","- C6 H6 N2 O6 Zn -","- C6 H6 N2 O6 Zn -","- C6 H6 N2 O6 Zn -","1","0.5","","Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; García-Terán, Juan P.; Román, Pascual","Supramolecular Architectures and Magnetic Properties of Coordination Polymers Based on Pyrazinedicarboxylato Ligands Showing Embedded Water Clusters","Inorganic Chemistry","2006","45","14","5367","5382","10.1021/ic060221r","powder diffraction","","1.5418","CuKα","","","","","","","","","3.046","4.88","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4332307","6.469","0.001","12.866","0.002","12.587","0.003","90","","113.96","0.02","90","","957.3","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","catena-[(mu-pyrazine-2,5-dicarboxylato-N,O:N,O)- {bis(ammin/aqua)copper(II)-water (1/1)]","","- C6 H9 Cu N3 O6 -","- C6 H9 Cu N3 O6 -","- C24 H36 Cu4 N12 O24 -","4","1","","Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; García-Terán, Juan P.; Román, Pascual","Supramolecular Architectures and Magnetic Properties of Coordination Polymers Based on Pyrazinedicarboxylato Ligands Showing Embedded Water Clusters","Inorganic Chemistry","2006","45","14","5367","5382","10.1021/ic060221r","","","0.71069","MoKα","","","0.0315","","","0.0588","0.0683","","","","","","0.744","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332308","28.411","0.0009","4.4718","0.0002","15.3333","0.0006","90","","116.852","0.002","90","","1738.02","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Co N2 O11 -","- C16 H18 Co N2 O11 -","- C64 H72 Co4 N8 O44 -","4","0.5","","Tang, En; Dai, Yu-Mei; Zhang, Jian; Li, Zhao-Ji; Yao, Yuan-Gen; Zhang, Jie; Huang, Xu-Dong","Two Cobalt(II) 5-Aminoisophthalate Complexes and Their Stable Supramolecular Microporous Frameworks","Inorganic Chemistry","2006","45","16","6276","6281","10.1021/ic0602244","","","0.71073","MoKα","","","0.0432","","","0.1202","0.1266","","","","","","1.103","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332309","8.835","0.004","12.519","0.005","7.908","0.003","90","","97.532","0.004","90","","867.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Co N O5 -","- C8 H7 Co N O5 -","- C32 H28 Co4 N4 O20 -","4","1","","Tang, En; Dai, Yu-Mei; Zhang, Jian; Li, Zhao-Ji; Yao, Yuan-Gen; Zhang, Jie; Huang, Xu-Dong","Two Cobalt(II) 5-Aminoisophthalate Complexes and Their Stable Supramolecular Microporous Frameworks","Inorganic Chemistry","2006","45","16","6276","6281","10.1021/ic0602244","","","0.71073","MoKα","","","0.0343","","","0.0844","0.0865","","","","","","1.033","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332310","10.7281","0.0014","14.0044","0.0019","13.9058","0.0018","90","","102.418","0.002","90","","2040.3","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TpOs(cod)OMe*MeOH","","","- C19 H29 B N6 O2 Os -","- C19 H29 B N6 O2 Os -","- C76 H116 B4 N24 O8 Os4 -","4","1","","Dickinson, Paul W.; Girolami, Gregory S.","Synthesis and Characterization of Osmium(II) Trispyrazolylborate Complexes","Inorganic Chemistry","2006","45","13","5215","5224","10.1021/ic0602291","","","0.71073","MoKα","","0.0359","0.0247","","","0.0513","0.0539","","","","","","0.96","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332311","9.083","0.0002","10.531","0.0005","10.504","0.0004","90","","90.458","0.003","90","","1004.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cl4 N6 Pt -","- C14 H22 Cl4 N6 Pt -","- C28 H44 Cl8 N12 Pt2 -","2","0.5","","Khripun, Anatoly V.; Kukushkin, Vadim Yu.; Selivanov, Stanislav I.; Haukka, Matti; Pombeiro, Armando J. L.","Unusual Reaction between (Nitrile)Pt Complexes and Pyrazoles: Substitution Proceeds via Metal-Mediated Nitrile−Pyrazole Coupling Followed by Elimination of the Nitrile","Inorganic Chemistry","2006","45","13","5073","5083","10.1021/ic0602300","","","0.71069","MoKα","","0.0288","0.0231","","","0.0538","0.0564","","","","","","1.099","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332312","7.3045","0.0006","10.5777","0.0011","13.5023","0.0014","90","","94.288","0.006","90","","1040.33","0.18","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Cl2 N3 O Pt -","- C6 H11 Cl2 N3 O Pt -","- C24 H44 Cl8 N12 O4 Pt4 -","4","1","","Khripun, Anatoly V.; Kukushkin, Vadim Yu.; Selivanov, Stanislav I.; Haukka, Matti; Pombeiro, Armando J. L.","Unusual Reaction between (Nitrile)Pt Complexes and Pyrazoles: Substitution Proceeds via Metal-Mediated Nitrile−Pyrazole Coupling Followed by Elimination of the Nitrile","Inorganic Chemistry","2006","45","13","5073","5083","10.1021/ic0602300","","","0.71073","MoKα","","0.0572","0.0326","","","0.0571","0.0622","","","","","","1.022","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332313","12.3022","0.0004","32.8307","0.0011","15.0957","0.0005","90","","96.771","0.001","90","","6054.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PtCl2(NHC(Et)(NNCHCHCH))2.(CHCl3)","","","- C13 H19 Cl5 N6 Pt -","- C13 H19 Cl5 N6 Pt -","- C156 H228 Cl60 N72 Pt12 -","12","3","","Khripun, Anatoly V.; Kukushkin, Vadim Yu.; Selivanov, Stanislav I.; Haukka, Matti; Pombeiro, Armando J. L.","Unusual Reaction between (Nitrile)Pt Complexes and Pyrazoles: Substitution Proceeds via Metal-Mediated Nitrile−Pyrazole Coupling Followed by Elimination of the Nitrile","Inorganic Chemistry","2006","45","13","5073","5083","10.1021/ic0602300","","","0.71073","MoKα","","0.0587","0.036","","","0.0694","0.0758","","","","","","1.037","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332314","17.2725","0.0006","11.9158","0.0004","13.2018","0.0003","90","","128.227","0.002","90","","2134.49","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H24 Cl4 N6 Pt -","- C15 H24 Cl4 N6 Pt -","- C60 H96 Cl16 N24 Pt4 -","4","0.5","","Khripun, Anatoly V.; Kukushkin, Vadim Yu.; Selivanov, Stanislav I.; Haukka, Matti; Pombeiro, Armando J. L.","Unusual Reaction between (Nitrile)Pt Complexes and Pyrazoles: Substitution Proceeds via Metal-Mediated Nitrile−Pyrazole Coupling Followed by Elimination of the Nitrile","Inorganic Chemistry","2006","45","13","5073","5083","10.1021/ic0602300","","","0.71073","MoKα","","0.0307","0.0198","","","0.0405","0.0433","","","","","","1.084","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332315","9.386","0.002","9.759","0.002","18.572","0.004","90","","93.099","0.004","90","","1698.7","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 B F5 N2 Ni S2 -","- C13 H20 B F5 N2 Ni S2 -","- C52 H80 B4 F20 N8 Ni4 S8 -","4","1","","Tamayo, Abel; Escriche, Lluis; Lodeiro, Carlos; Ribas-Ariño, Jordi; Ribas, Joan; Covelo, Berta; Casabó, Jaume","Structural and Magnetic Properties of a Complete Halide Series of NiIIComplexes with a Pyridine-Containing 14-Membered Macrocycle","Inorganic Chemistry","2006","45","19","7621","7627","10.1021/ic060231s","","","0.71073","MoKα","","0.0498","0.0323","","","0.0672","0.0745","","","","","","1.028","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332316","17.802","0.004","8.0784","0.0017","15.504","0.003","90","","108.659","0.004","90","","2112.5","0.8","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 I2 N3 Ni O S2 -","- C15 H25 I2 N3 Ni O S2 -","- C60 H100 I8 N12 Ni4 O4 S8 -","4","1","","Tamayo, Abel; Escriche, Lluis; Lodeiro, Carlos; Ribas-Ariño, Jordi; Ribas, Joan; Covelo, Berta; Casabó, Jaume","Structural and Magnetic Properties of a Complete Halide Series of NiIIComplexes with a Pyridine-Containing 14-Membered Macrocycle","Inorganic Chemistry","2006","45","19","7621","7627","10.1021/ic060231s","","","0.71073","MoKα","","0.0402","0.0348","","","0.0983","0.1014","","","","","","1.07","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332317","16.157","0.003","8.3122","0.0018","16.212","0.003","90","","117.014","0.003","90","","1939.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 I2 N2 Ni O S2 -","- C14 H24 I2 N2 Ni O S2 -","- C56 H96 I8 N8 Ni4 O4 S8 -","4","1","","Tamayo, Abel; Escriche, Lluis; Lodeiro, Carlos; Ribas-Ariño, Jordi; Ribas, Joan; Covelo, Berta; Casabó, Jaume","Structural and Magnetic Properties of a Complete Halide Series of NiIIComplexes with a Pyridine-Containing 14-Membered Macrocycle","Inorganic Chemistry","2006","45","19","7621","7627","10.1021/ic060231s","","","0.71073","MoKα","","0.0217","0.0177","","","0.0398","0.0409","","","","","","1.054","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332318","8.3948","0.0019","14.034","0.003","18.518","0.004","90","","99.223","0.005","90","","2153.4","0.8","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 B2 Cu2 F8 N10 -","- C45 H32 B2 Cu2 F8 N10 -","- C90 H64 B4 Cu4 F16 N20 -","2","0.5","","Zhao, Shu-Bin; Wang, Rui-Yao; Wang, Suning","Dinuclear Cu(I) Complexes of 1,2,4,5-Tetra(7-azaindolyl)benzene: Persistent 3-Coordinate Geometry, Luminescence, and Reactivity","Inorganic Chemistry","2006","45","15","5830","5840","10.1021/ic060237h","","","0.71073","MoKα","","0.1229","0.0621","","","0.134","0.1586","","","","","","1.019","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332319","12.323","0.004","13.386","0.004","13.496","0.004","93.117","0.006","102.741","0.005","116.504","0.005","1913.2","1","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H60 B2 Cl8 Cu2 F8 N8 P2 -","- C74 H60 B2 Cl8 Cu2 F8 N8 P2 -","- C74 H60 B2 Cl8 Cu2 F8 N8 P2 -","1","0.5","","Zhao, Shu-Bin; Wang, Rui-Yao; Wang, Suning","Dinuclear Cu(I) Complexes of 1,2,4,5-Tetra(7-azaindolyl)benzene: Persistent 3-Coordinate Geometry, Luminescence, and Reactivity","Inorganic Chemistry","2006","45","15","5830","5840","10.1021/ic060237h","","","0.71073","MoKα","","0.1129","0.0772","","","0.2064","0.2303","","","","","","1.054","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332320","8.9966","0.0015","23.441","0.004","9.4998","0.0016","90","","108.838","0.003","90","","1896.1","0.6","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Cu I3 N4 -","- C17 H11 Cu I3 N4 -","- C68 H44 Cu4 I12 N16 -","4","1","","Zhao, Shu-Bin; Wang, Rui-Yao; Wang, Suning","Dinuclear Cu(I) Complexes of 1,2,4,5-Tetra(7-azaindolyl)benzene: Persistent 3-Coordinate Geometry, Luminescence, and Reactivity","Inorganic Chemistry","2006","45","15","5830","5840","10.1021/ic060237h","","","0.71073","MoKα","","0.1585","0.061","","","0.0974","0.1135","","","","","","0.847","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332321","24.954","0.005","14.712","0.003","14.377","0.003","90","","112.475","0.003","90","","4877.2","1.7","180","2","180","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C20.8 H18.4 B0.4 Cu0.8 F1.6 I0.4 N3.2 O0.4 -","- C19 H10 B0.4 Cu0.8 F1.6 I0.4 N3.2 O0.4 -","- C190 H100 B4 Cu8 F16 I4 N32 O4 -","10","1.25","","Zhao, Shu-Bin; Wang, Rui-Yao; Wang, Suning","Dinuclear Cu(I) Complexes of 1,2,4,5-Tetra(7-azaindolyl)benzene: Persistent 3-Coordinate Geometry, Luminescence, and Reactivity","Inorganic Chemistry","2006","45","15","5830","5840","10.1021/ic060237h","","","0.71073","MoKα","","0.3546","0.1055","","","0.2516","0.3296","","","","","","0.811","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332322","24.3092","0.0008","15.1637","0.0005","18.585","0.0006","90","","109.59","0.01","90","","6454.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H95 N5 Ni -","- C70 H95 N5 Ni -","- C280 H380 N20 Ni4 -","4","1","","Chłopek, Krzysztof; Bothe, Eberhard; Neese, Frank; Weyhermüller, Thomas; Wieghardt, Karl","Molecular and Electronic Structures of Tetrahedral Complexes of Nickel and Cobalt ContainingN,N‘-Disubstituted, Bulkyo-Diiminobenzosemiquinonate(1−) π-Radical Ligands","Inorganic Chemistry","2006","45","16","6298","6307","10.1021/ic060242l","","","0.71073","MoKα","","0.0774","0.0579","","","0.1051","0.1119","","","","","","1.106","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332323","20.357","0.002","20.357","0.002","14.742","0.002","90","","90","","90","","6109.2","1.2","203","2","203","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C68 H92 Co N4 -","- C68 H92 Co N4 -","- C272 H368 Co4 N16 -","4","0.25","","Chłopek, Krzysztof; Bothe, Eberhard; Neese, Frank; Weyhermüller, Thomas; Wieghardt, Karl","Molecular and Electronic Structures of Tetrahedral Complexes of Nickel and Cobalt ContainingN,N‘-Disubstituted, Bulkyo-Diiminobenzosemiquinonate(1−) π-Radical Ligands","Inorganic Chemistry","2006","45","16","6298","6307","10.1021/ic060242l","","","1.54178","CuKα","","0.0851","0.0769","","","0.1432","0.1467","","","","","","1.243","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332324","13.073","0.005","27.978","0.012","13.464","0.006","90","","96.633","0.007","90","","4892","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98 H82 B2 Cu2 F48 N6 -","- C98 H82 B2 Cu2 F48 N6 -","- C196 H164 B4 Cu4 F96 N12 -","2","0.5","","Company, Anna; Lamata, Diana; Poater, Albert; Solà, Miquel; Rybak-Akimova, Elena V.; Que, Jr., Lawrence; Fontrodona, Xavier; Parella, Teodor; Llobet, Antoni; Costas, Miquel","O2Chemistry of Dicopper Complexes with Alkyltriamine Ligands. Comparing Synergistic Effects on O2Binding","Inorganic Chemistry","2006","45","14","5239","5241","10.1021/ic0602446","","","0.71073","MoKα","","0.0716","0.051","","","0.1057","0.1345","","","","","","1.163","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332325","16.264","0.004","15.169","0.004","17.642","0.005","90","","103.776","0.004","90","","4227.2","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H56 Cu2 F12 N6 Sb2 -","- C28 H56 Cu2 F12 N6 Sb2 -","- C112 H224 Cu8 F48 N24 Sb8 -","4","1","","Company, Anna; Lamata, Diana; Poater, Albert; Solà, Miquel; Rybak-Akimova, Elena V.; Que, Jr., Lawrence; Fontrodona, Xavier; Parella, Teodor; Llobet, Antoni; Costas, Miquel","O2Chemistry of Dicopper Complexes with Alkyltriamine Ligands. Comparing Synergistic Effects on O2Binding","Inorganic Chemistry","2006","45","14","5239","5241","10.1021/ic0602446","","","0.71073","MoKα","","0.037","0.0305","","","0.0772","0.0797","","","","","","1.076","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332326","11.132","0.002","12.4849","0.0019","16.0516","0.0019","89.967","0.011","84.388","0.012","84.775","0.014","2210.9","0.6","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 I6 N6 O4 Ru -","- C36 H32 I6 N6 O4 Ru -","- C72 H64 I12 N12 O8 Ru2 -","2","1","","Clark, Christopher C.; Marton, Andras; Srinivasan, Ramya; Narducci Sarjeant, Amy A.; Meyer, Gerald J.","Triiodide Quenching of Ruthenium MLCT Excited State in Solution and on TiO2Surfaces: An Alternate Pathway for Charge Recombination","Inorganic Chemistry","2006","45","12","4728","4734","10.1021/ic060246q","","","0.71073","MoKα","","0.1037","0.0575","","","0.144","0.1659","","","","","","0.999","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332327","11.3318","0.0002","17.9194","0.0004","16.0631","0.0004","90","","94.0485","0.0008","90","","3253.62","0.12","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Compound X","","","- C31 H27 Cl3 Cs F N2 O6 U -","- C31 H27 Cl3 Cs F N2 O6 U -","- C124 H108 Cl12 Cs4 F4 N8 O24 U4 -","4","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Rissanen, Kari; Mandolini, Luigi","Crystal Structure of a CsF−Uranyl−Salen Complex. An Unusual Cesium−Chlorine Coordination","Inorganic Chemistry","2006","45","16","6099","6101","10.1021/ic060251u","","","0.71073","MoKα","","0.0659","0.0363","","","0.0696","0.0828","","","","","","1.015","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332328","10.0159","0.0005","10.4519","0.0004","15.2798","0.0007","103.338","0.002","95.853","0.002","104.6","0.003","1484.23","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Compound X","","","- C32.5 H33 N2 O7.5 U -","- C32.5 H33 N2 O7.5 U -","- C65 H66 N4 O15 U2 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Rissanen, Kari; Mandolini, Luigi","Crystal Structure of a CsF−Uranyl−Salen Complex. An Unusual Cesium−Chlorine Coordination","Inorganic Chemistry","2006","45","16","6099","6101","10.1021/ic060251u","","","0.71073","MoKα","","0.0514","0.0451","","","0.1189","0.1225","","","","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332329","9.2846","0.0007","11.8696","0.0009","31.908","0.002","90","","93.228","0.002","90","","3510.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 Cl2 N5 O11 Pb -","- C30 H39 Cl2 N5 O11 Pb -","- C120 H156 Cl8 N20 O44 Pb4 -","4","1","","Esteban-Gómez, David; Platas-Iglesias, Carlos; Enríquez-Pérez, Teresa; Avecilla, Fernando; de Blas, Andrés; Rodríguez-Blas, Teresa","Lone-Pair Activity in Lead(II) Complexes with Unsymmetrical Lariat Ethers","Inorganic Chemistry","2006","45","14","5407","5416","10.1021/ic060252m","","","0.71073","MoKα","","0.1519","0.051","","","0.0768","0.0955","","","","","","0.893","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332330","13.705","0.0018","14.721","0.002","16.22","0.002","90","","90","","90","","3272.4","0.7","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 Cl N4 O8 Pb -","- C31 H39 Cl N4 O8 Pb -","- C124 H156 Cl4 N16 O32 Pb4 -","4","1","","Esteban-Gómez, David; Platas-Iglesias, Carlos; Enríquez-Pérez, Teresa; Avecilla, Fernando; de Blas, Andrés; Rodríguez-Blas, Teresa","Lone-Pair Activity in Lead(II) Complexes with Unsymmetrical Lariat Ethers","Inorganic Chemistry","2006","45","14","5407","5416","10.1021/ic060252m","","","0.71073","MoKα","","0.2302","0.0613","","","0.0961","0.1387","","","","","","0.934","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332331","33.217","0.004","5.6416","0.0008","13.9824","0.0018","90","","99.407","0.008","90","","2585","0.6","223","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H16 Mo5 N4 Ni2 O25 -","- C10 H16 Mo5 N4 Ni2 O25 -","- C40 H64 Mo20 N16 Ni8 O100 -","4","1","","Yan, Bangbo; Maggard, Paul A.","Polar Symmetry and Intercalation of New Multilayered Hybrid Molybdates: [M2(pzc)2(H2O)x][Mo5O16] (M = Co, Ni)","Inorganic Chemistry","2006","45","12","4721","4727","10.1021/ic060253e","","","0.71073","MoKα","","0.0399","0.0304","","","0.0652","0.0681","","","","","","0.997","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332332","11.2905","0.0002","17.7414","0.0004","10.8096","0.0002","90","","93.294","0.003","90","","2161.69","0.07","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C10.5 H23 F12 N6 O P2 Ru -","- C10.5 H20 F12 N6 O P2 Ru -","- C42 H80 F48 N24 O4 P8 Ru4 -","4","1","","Chen, Yuan-Jang; Xie, Puhui; Heeg, Mary Jane; Endicott, John F.","Influence of the “Innocent” Ligands on the MLCT Excited-State Behavior of Mono(bipyridine)ruthenium(II) Complexes: A Comparison of X-ray Structures and 77 K Luminescence Properties","Inorganic Chemistry","2006","45","16","6282","6297","10.1021/ic0602547","","","0.71073","MoKα","","0.0517","0.043","","","0.1237","0.1284","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332333","11.3329","0.0004","14.79","0.0004","14.3292","0.0004","90","","90.824","0.001","90","","2401.52","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 F12 N6 P2 Ru -","- C16 H26 F12 N6 P2 Ru -","- C64 H104 F48 N24 P8 Ru4 -","4","1","","Chen, Yuan-Jang; Xie, Puhui; Heeg, Mary Jane; Endicott, John F.","Influence of the “Innocent” Ligands on the MLCT Excited-State Behavior of Mono(bipyridine)ruthenium(II) Complexes: A Comparison of X-ray Structures and 77 K Luminescence Properties","Inorganic Chemistry","2006","45","16","6282","6297","10.1021/ic0602547","","","0.71073","MoKα","","0.0499","0.0405","","","0.0875","0.0922","","","","","","1.022","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332334","11.386","0.0003","15.3588","0.0004","14.3446","0.0004","90","","90.573","0.001","90","","2508.39","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 F12 N6 P2 Ru -","- C18 H28 F12 N6 P2 Ru -","- C72 H112 F48 N24 P8 Ru4 -","4","1","","Chen, Yuan-Jang; Xie, Puhui; Heeg, Mary Jane; Endicott, John F.","Influence of the “Innocent” Ligands on the MLCT Excited-State Behavior of Mono(bipyridine)ruthenium(II) Complexes: A Comparison of X-ray Structures and 77 K Luminescence Properties","Inorganic Chemistry","2006","45","16","6282","6297","10.1021/ic0602547","","","0.71073","MoKα","","0.0512","0.035","","","0.082","0.0887","","","","","","1.033","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332335","9.6939","0.0002","10.2598","0.0003","34.0818","0.0009","90","","90","","90","","3389.69","0.15","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 F12 N6 O P2 Ru -","- C26 H46 F12 N6 O P2 Ru -","- C104 H184 F48 N24 O4 P8 Ru4 -","4","1","","Chen, Yuan-Jang; Xie, Puhui; Heeg, Mary Jane; Endicott, John F.","Influence of the “Innocent” Ligands on the MLCT Excited-State Behavior of Mono(bipyridine)ruthenium(II) Complexes: A Comparison of X-ray Structures and 77 K Luminescence Properties","Inorganic Chemistry","2006","45","16","6282","6297","10.1021/ic0602547","","","0.71073","MoKα","","0.0427","0.0339","","","0.0641","0.0669","","","","","","1.03","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332336","6.9971","0.0001","14.3386","0.0001","18.9494","0.0002","108.363","0.008","97.397","0.007","103.89","0.007","1707.96","0.13","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","[La2(4-cba)6(phen)2(H2O)6]","[La2(4-cba)6(phen)2(H2O)6]","","- C72 H52 La2 N10 O18 -","- C72 H52 La2 N10 O18 -","- C72 H52 La2 N10 O18 -","1","0.5","","Li, Yan; Zheng, Fa-Kun; Liu, Xi; Zou, Wen-Qiang; Guo,; Lu, Can-Zhong; Huang, Jin-Shun","Crystal Structures and Magnetic and Luminescent Properties of a Series of Homodinuclear Lanthanide Complexes with 4-Cyanobenzoic Ligand","Inorganic Chemistry","2006","45","16","6308","6316","10.1021/ic0602603","","","0.71073","MoKα","","0.0285","0.0256","","","0.0617","0.0637","","","","","","1.004","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332337","8.308","0.002","12.852","0.004","16.419","0.005","97.443","0.004","101.952","0.004","99.497","0.002","1667.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Pr2(4-cba)6(phen)2(H2O)2]","[Pr2(4-cba)6(phen)2(H2O)2]","","- C72 H44 N10 O14 Pr2 -","- C72 H44 N10 O14 Pr2 -","- C72 H44 N10 O14 Pr2 -","1","0.5","","Li, Yan; Zheng, Fa-Kun; Liu, Xi; Zou, Wen-Qiang; Guo,; Lu, Can-Zhong; Huang, Jin-Shun","Crystal Structures and Magnetic and Luminescent Properties of a Series of Homodinuclear Lanthanide Complexes with 4-Cyanobenzoic Ligand","Inorganic Chemistry","2006","45","16","6308","6316","10.1021/ic0602603","","","0.71073","MoKα","","0.0298","0.0273","","","0.0676","0.0697","","","","","","1.004","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332338","8.297","0.005","12.813","0.007","16.426","0.009","97.527","0.004","102.014","0.007","99.572","0.006","1659.2","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Nd2(4-cba)6(phen)2(H2O)2]","[Nd2(4-cba)6(phen)2(H2O)2]","","- C72 H44 N10 Nd2 O14 -","- C72 H44 N10 Nd2 O14 -","- C72 H44 N10 Nd2 O14 -","1","0.5","","Li, Yan; Zheng, Fa-Kun; Liu, Xi; Zou, Wen-Qiang; Guo,; Lu, Can-Zhong; Huang, Jin-Shun","Crystal Structures and Magnetic and Luminescent Properties of a Series of Homodinuclear Lanthanide Complexes with 4-Cyanobenzoic Ligand","Inorganic Chemistry","2006","45","16","6308","6316","10.1021/ic0602603","","","0.71073","MoKα","","0.0454","0.039","","","0.0907","0.0964","","","","","","1.003","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332339","8.2827","0.0008","12.8027","0.0011","16.4241","0.0015","97.762","0.002","102.084","0.004","99.682","0.004","1652.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Sm2(4-cba)6(phen)2(H2O)2]","[Sm2(4-cba)6(phen)2(H2O)2]","","- C72 H44 N10 O14 Sm2 -","- C72 H44 N10 O14 Sm2 -","- C72 H44 N10 O14 Sm2 -","1","0.5","","Li, Yan; Zheng, Fa-Kun; Liu, Xi; Zou, Wen-Qiang; Guo,; Lu, Can-Zhong; Huang, Jin-Shun","Crystal Structures and Magnetic and Luminescent Properties of a Series of Homodinuclear Lanthanide Complexes with 4-Cyanobenzoic Ligand","Inorganic Chemistry","2006","45","16","6308","6316","10.1021/ic0602603","","","0.71073","MoKα","","0.0438","0.0371","","","0.0866","0.0919","","","","","","1.002","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332340","8.2745","0.0006","12.8076","0.0009","16.4256","0.0013","97.838","0.002","102.116","0.003","99.72","0.003","1650.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Eu2(4-cba)6(phen)2(H2O)2]","[Eu2(4-cba)6(phen)2(H2O)2]","","- C72 H44 Eu2 N10 O14 -","- C72 H44 Eu2 N10 O14 -","- C72 H44 Eu2 N10 O14 -","1","0.5","","Li, Yan; Zheng, Fa-Kun; Liu, Xi; Zou, Wen-Qiang; Guo,; Lu, Can-Zhong; Huang, Jin-Shun","Crystal Structures and Magnetic and Luminescent Properties of a Series of Homodinuclear Lanthanide Complexes with 4-Cyanobenzoic Ligand","Inorganic Chemistry","2006","45","16","6308","6316","10.1021/ic0602603","","","0.71073","MoKα","","0.0304","0.0269","","","0.0644","0.0668","","","","","","1.007","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332341","8.273","0.002","12.796","0.004","16.424","0.005","97.903","0.002","102.136","0.003","99.775","0.003","1647.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Gd2(4-cba)6(phen)2(H2O)2]","[Gd2(4-cba)6(phen)2(H2O)2]","","- C72 H44 Gd2 N10 O14 -","- C72 H44 Gd2 N10 O14 -","- C72 H44 Gd2 N10 O14 -","1","0.5","","Li, Yan; Zheng, Fa-Kun; Liu, Xi; Zou, Wen-Qiang; Guo,; Lu, Can-Zhong; Huang, Jin-Shun","Crystal Structures and Magnetic and Luminescent Properties of a Series of Homodinuclear Lanthanide Complexes with 4-Cyanobenzoic Ligand","Inorganic Chemistry","2006","45","16","6308","6316","10.1021/ic0602603","","","0.71073","MoKα","","0.0257","0.0234","","","0.0589","0.0607","","","","","","1.002","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332342","8.2525","0.0007","12.7935","0.0012","16.4146","0.0012","97.941","0.003","102.068","0.002","99.918","0.004","1641.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Dy2(4-cba)6(phen)2(H2O)2]","[Dy2(4-cba)6(phen)2(H2O)2]","","- C72 H44 Dy2 N10 O14 -","- C72 H44 Dy2 N10 O14 -","- C72 H44 Dy2 N10 O14 -","1","0.5","","Li, Yan; Zheng, Fa-Kun; Liu, Xi; Zou, Wen-Qiang; Guo,; Lu, Can-Zhong; Huang, Jin-Shun","Crystal Structures and Magnetic and Luminescent Properties of a Series of Homodinuclear Lanthanide Complexes with 4-Cyanobenzoic Ligand","Inorganic Chemistry","2006","45","16","6308","6316","10.1021/ic0602603","","","0.71073","MoKα","","0.0253","0.0232","","","0.0583","0.0602","","","","","","1.006","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332343","13.7125","0.0005","11.8863","0.0004","15.4368","0.0006","90","","102.712","0.002","90","","2454.39","0.16","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[C10N4H26][Sb4S7] compound 1","","- C10 H26 N4 S7 Sb4 -","- C10 H26 N4 S7 Sb4 -","- C40 H104 N16 S28 Sb16 -","4","0.5","","Powell, Anthony V.; Lees, Rachel J. E.; Chippindale, Ann M.","Macrocyclic Amines as Structure-Directing Agents for the Synthesis of Three-Dimensional Antimony-Sulfide Frameworks","Inorganic Chemistry","2006","45","10","4261","4267","10.1021/ic060263f","","","0.71073","MoKα","","0.0285","0.0193","","0.0251","0.0199","0.0199","","","","","","0.9564","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332344","13.7781","0.0005","11.8694","0.0005","15.3855","0.0007","90","","102.772","0.002","90","","2453.86","0.18","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Ni(C10N4H24)][Sb4S7] compound 2","","- C10 H24 N4 Ni S7 Sb4 -","- C10 H24 N4 Ni S7 Sb4 -","- C40 H96 N16 Ni4 S28 Sb16 -","4","0.5","","Powell, Anthony V.; Lees, Rachel J. E.; Chippindale, Ann M.","Macrocyclic Amines as Structure-Directing Agents for the Synthesis of Three-Dimensional Antimony-Sulfide Frameworks","Inorganic Chemistry","2006","45","10","4261","4267","10.1021/ic060263f","","","0.71073","MoKα","","0.0669","0.0289","","0.0605","0.0324","0.0324","","","","","","1.0634","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332345","13.6001","0.0007","11.9193","0.0006","15.4311","0.0008","90","","102.557","0.003","90","","2441.6","0.2","100","","100","","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","[Co(C10N4H24)]x[C10N4H26]1-x[Sb4S7] compound 3","","- C10 H25.66 Co0.34 N4 S7 Sb4 -","- C10 H25.66 Co0.339 N4 S7 Sb4 -","- C40 H102.64 Co1.356 N16 S28 Sb16 -","4","0.5","","Powell, Anthony V.; Lees, Rachel J. E.; Chippindale, Ann M.","Macrocyclic Amines as Structure-Directing Agents for the Synthesis of Three-Dimensional Antimony-Sulfide Frameworks","Inorganic Chemistry","2006","45","10","4261","4267","10.1021/ic060263f","","","0.71073","MoKα","","0.0527","0.0232","","0.0326","0.0257","0.0257","","","","","","1.0652","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332346","11.6091","0.0016","12.8553","0.0018","24.358","0.003","104.509","0.004","92.288","0.004","101.522","0.005","3432.8","0.8","193","2","193","2","","","","","","","","5","P -1","-P 1","2","(Ph(tBu)N)2Ti2(O2C(N(tBu)Ph)4","","","- C68 H93.14 N6 O9 Ti2 -","- C68 H93.14 N6 O9 Ti2 -","- C136 H186.28 N12 O18 Ti4 -","2","1","","Mendiratta, Arjun; Cummins, Christopher C.; Cotton, F. Albert; Ibragimov, Sergey A.; Murillo, Carlos A.; Villagrán, Dino","A Diamagnetic Dititanium(III) Paddlewheel Complex with No Direct Metal−Metal Bond","Inorganic Chemistry","2006","45","11","4328","4330","10.1021/ic0602650","","","0.71073","MoKα","","0.1012","0.0574","","","0.1306","0.152","","","","","","1.002","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332347","10.8481","0.0006","25.2854","0.0015","18.7165","0.0011","90","","101.805","0.001","90","","5025.3","0.5","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H56 Cl N8 O2 Ru2 -","- C52.8 H53.6 Cl N8 O1.6 Ru2 -","- C211.2 H214.4 Cl4 N32 O6.4 Ru8 -","4","1","","Kadish, Karl M.; Nguyen, Minh; Van Caemelbecke, Eric; Bear, John L.","Synthesis, Characterization, and Electrochemistry of Diruthenium(III,II) and Monoruthenium(III) Complexes Containing Pyridyl-Substituted 2-Anilinopyridinate Ligands","Inorganic Chemistry","2006","45","15","5996","6003","10.1021/ic060267k","","","0.71073","MoKα","","0.0657","0.0356","","","0.0893","0.1139","","","","","","1.169","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332348","9.7954","0.0004","12.7306","0.0005","13.0719","0.0006","81.534","0.001","75.846","0.001","79.352","0.001","1544.45","0.11","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H33 N6 Ru -","- C36 H33 N6 Ru -","- C72 H66 N12 Ru2 -","2","1","","Kadish, Karl M.; Nguyen, Minh; Van Caemelbecke, Eric; Bear, John L.","Synthesis, Characterization, and Electrochemistry of Diruthenium(III,II) and Monoruthenium(III) Complexes Containing Pyridyl-Substituted 2-Anilinopyridinate Ligands","Inorganic Chemistry","2006","45","15","5996","6003","10.1021/ic060267k","","","0.71073","MoKα","","0.0209","0.019","","","0.0491","0.0506","","","","","","1.048","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332349","12.146","0.003","17.504","0.004","23.088","0.006","102.013","0.005","96.383","0.005","106.136","0.004","4536.7","1.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C92.2 H84.4 F20 I N O1.4 P4 Pt3 -","- C92.2 H67 F20 I N O1.4 P4 Pt3 -","- C184.4 H134 F40 I2 N2 O2.8 P8 Pt6 -","2","1","","Forniés, Juan; Fortuño, Consuelo; Ibáñez, Susana; Martín, Antonio","From a Trinuclear Platinum(III) Phosphido Derivative to a Platinum(II) Cluster: Formation of a P−C Bond†","Inorganic Chemistry","2006","45","12","4850","4858","10.1021/ic0602695","","","0.71073","MoKα","","0.0694","0.0594","","","0.141","0.1459","","","","","","1.153","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332350","20.2217","0.0018","29.667","0.003","23.584","0.002","90","","103.835","0.003","90","","13738","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H42 Cl2 F20 P4 Pt3 -","- C73 H42 Cl2 F20 P4 Pt3 -","- C584 H336 Cl16 F160 P32 Pt24 -","8","2","","Forniés, Juan; Fortuño, Consuelo; Ibáñez, Susana; Martín, Antonio","From a Trinuclear Platinum(III) Phosphido Derivative to a Platinum(II) Cluster: Formation of a P−C Bond†","Inorganic Chemistry","2006","45","12","4850","4858","10.1021/ic0602695","","","0.71073","MoKα","","0.039","0.0291","","","0.0495","0.0509","","","","","","0.981","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332351","12.153","0.003","28.295","0.007","13.516","0.004","90","","115.801","0.004","90","","4184.4","1.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C88 H77 F20 N P4 Pt3 -","- C88 H76 F20 N P4 Pt3 -","- C176 H152 F40 N2 P8 Pt6 -","2","1","","Forniés, Juan; Fortuño, Consuelo; Ibáñez, Susana; Martín, Antonio","From a Trinuclear Platinum(III) Phosphido Derivative to a Platinum(II) Cluster: Formation of a P−C Bond†","Inorganic Chemistry","2006","45","12","4850","4858","10.1021/ic0602695","","","0.71073","MoKα","","0.0535","0.0455","","","0.1012","0.1045","","","","","","1.012","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332352","9.878","0.001","9.0223","0.0009","11.202","0.001","90","","102.595","0.002","90","","974.32","0.16","293.2","","293.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl2 N2 Pt -","- C6 H10 Cl2 N2 Pt -","- C24 H40 Cl8 N8 Pt4 -","4","1","","Battle, Andrew R.; Choi, Robin; Hibbs, David E.; Hambley, Trevor W.","Platinum(IV) Analogues of AMD473 (cis-[PtCl2(NH3)(2-picoline)]): Preparative, Structural, and Electrochemical Studies","Inorganic Chemistry","2006","45","16","6317","6322","10.1021/ic060273g","","","0.7107","MoKα","","0.0205","0.0168","","0.0236","","0.0222","","","0.836","","","0.857","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332353","6.87","0.002","8.009","0.002","23.731","0.006","90","","90","","90","","1305.7","0.6","273.2","","293.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Cl5 N2 Pt -","- C5.5 H14.5 Cl5.5 N4.38 Pt0.5 -","- C22 H58 Cl22 N17.52 Pt2 -","4","0.5","","Battle, Andrew R.; Choi, Robin; Hibbs, David E.; Hambley, Trevor W.","Platinum(IV) Analogues of AMD473 (cis-[PtCl2(NH3)(2-picoline)]): Preparative, Structural, and Electrochemical Studies","Inorganic Chemistry","2006","45","16","6317","6322","10.1021/ic060273g","","","0.7107","MoKα","","0.0528","0.0457","","0.0568","","0.0546","","","1.229","","","1.321","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332354","9.8056","0.0009","9.771","0.0016","12.207","0.003","90","","97","0.02","90","","1160.8","0.4","293","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cl2 N2 O3 Pt -","- C6 H12 Cl2 N2 O3 Pt -","- C24 H48 Cl8 N8 O12 Pt4 -","4","1","","Battle, Andrew R.; Choi, Robin; Hibbs, David E.; Hambley, Trevor W.","Platinum(IV) Analogues of AMD473 (cis-[PtCl2(NH3)(2-picoline)]): Preparative, Structural, and Electrochemical Studies","Inorganic Chemistry","2006","45","16","6317","6322","10.1021/ic060273g","","","0.71069","MoKα","","0.03","0.0285","","","0.0749","0.0764","","","","","","1.125","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332355","19.0972","0.0012","7.8864","0.0005","13.7586","0.0008","90","","90","","90","","2072.2","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H18 N2 O7 Zn -","- C88 H72 N8 O28 Zn4 -","4","1","","Zhang, Jian; Chen, Yu-Biao; Chen, Shu-Mei; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","A Polar Luminescent Zn Polymer Containing an Unusual Noninterpenetrated utp Net","Inorganic Chemistry","2006","45","8","3161","3163","10.1021/ic060276t","","","0.71073","MoKα","","","0.046","","","0.1228","0.1397","","","","","","1.026","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332356","15.51","0.002","15.854","0.003","22.923","0.003","97.53","0.01","102.72","0.01","96.58","0.01","5390.6","1.5","296.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C98 H94 B2 Cl10 F8 P8 Pd2 Pt S2 -","- C98 H92 B2 Cl10 F8 P8 Pd2 Pt S2 -","- C196 H184 B4 Cl20 F16 P16 Pd4 Pt2 S4 -","2","1","","Aizawa, Sen-ichi; Saito, Kenji; Kawamoto, Tatsuya; Matsumoto, Emi","Stereoselective Preparation, Structures, and Reactivities of Phosphine-Bridged Mixed-Metal Trinuclear and Pentanuclear Complexes with Tris[2-(diphenylphosphino)ethyl]phosphine","Inorganic Chemistry","2006","45","12","4859","4866","10.1021/ic060277l","","","0.7107","MoKα","","","0.05","","","","0.086","","","","","","1.806","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332357","28.276","0.004","23.61","0.004","13.933","0.003","90","","90","","90","","9302","3","296.1","","","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C85 H87 B2 Cl7 F8 O P8 Pd2 Pt -","- C85 H84 B2 Cl7 F8 O P8 Pd2 Pt -","- C340 H336 B8 Cl28 F32 O4 P32 Pd8 Pt4 -","4","0.5","","Aizawa, Sen-ichi; Saito, Kenji; Kawamoto, Tatsuya; Matsumoto, Emi","Stereoselective Preparation, Structures, and Reactivities of Phosphine-Bridged Mixed-Metal Trinuclear and Pentanuclear Complexes with Tris[2-(diphenylphosphino)ethyl]phosphine","Inorganic Chemistry","2006","45","12","4859","4866","10.1021/ic060277l","","","0.7107","MoKα","","","0.075","","","","0.117","","","","","","2.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332358","20.121","0.006","27.8","0.01","18.758","0.005","90","","114.06","0.02","90","","9581","5","296.1","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C92 H98 Cl6 N4 O P8 Pd2 Pt -","- C92 H84 Cl6 N4 O P8 Pd2 Pt -","- C368 H336 Cl24 N16 O4 P32 Pd8 Pt4 -","4","1","","Aizawa, Sen-ichi; Saito, Kenji; Kawamoto, Tatsuya; Matsumoto, Emi","Stereoselective Preparation, Structures, and Reactivities of Phosphine-Bridged Mixed-Metal Trinuclear and Pentanuclear Complexes with Tris[2-(diphenylphosphino)ethyl]phosphine","Inorganic Chemistry","2006","45","12","4859","4866","10.1021/ic060277l","","","0.7107","MoKα","","","0.052","","","","0.102","","","","","","1.726","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332359","17.972","0.0008","8.4","0.0003","28.315","0.0012","90","","113.307","0.0016","90","","3925.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H45 Cl3 Cu N8 O17 -","- C28 H41 Cl3 Cu N8 O17 -","- C112 H164 Cl12 Cu4 N32 O68 -","4","1","","Verdejo, Begoña; Aguilar, Juan; García-España, Enrique; Gaviña, Pablo; Latorre, Julio; Soriano, Conxa; Llinares, José M.; Doménech, Antonio","CO2Fixation by Cu2+and Zn2+Complexes of a Terpyridinophane Aza Receptor. Crystal Structures of Cu2+Complexes, pH-Metric, Spectroscopic, and Electrochemical Studies","Inorganic Chemistry","2006","45","9","3803","3815","10.1021/ic060278d","","","1.54184","CuKα","","0.1322","0.0782","","","0.1922","0.2171","","","","","","1.347","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332360","15.782","0.0007","13.297","0.0006","21.129","0.0012","90","","94.314","0.0016","90","","4421.4","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H49 Cl4 Cu2 N8 O23.5 -","- C28 H37 Cl4 Cu2 N8 O23.5 -","- C112 H148 Cl16 Cu8 N32 O94 -","4","2","","Verdejo, Begoña; Aguilar, Juan; García-España, Enrique; Gaviña, Pablo; Latorre, Julio; Soriano, Conxa; Llinares, José M.; Doménech, Antonio","CO2Fixation by Cu2+and Zn2+Complexes of a Terpyridinophane Aza Receptor. Crystal Structures of Cu2+Complexes, pH-Metric, Spectroscopic, and Electrochemical Studies","Inorganic Chemistry","2006","45","9","3803","3815","10.1021/ic060278d","","","0.71073","MoKα","","0.1259","0.0749","","","0.1775","0.2152","","","","","","1.191","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332361","8.094","0.002","10.801","0.003","28.324","0.007","90","","94.804","0.005","90","","2467.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cd2 N O13 -","- C21 H20 Cd2 N O13 -","- C84 H80 Cd8 N4 O52 -","4","1","","Zang, Shuangquan; Su, Yang; Li, Yizhi; Ni, Zhaoping; Zhu, Huizhen; Meng, Qingjin","Interweaving of Triple-Helical and Extended Metal−O−Metal Single-Helical Chains with the Same Helix Axis in a 3D Metal−Organic Framework","Inorganic Chemistry","2006","45","10","3855","3857","10.1021/ic060286u","","","0.71073","MoKα","","0.0713","0.043","","","0.0774","0.0816","","","","","","1.011","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332362","10.9337","0.0009","24.234","0.002","15.1864","0.0013","90","","107.687","0.002","90","","3833.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H82 Fe2 N2 O10 -","- C98 H82 Fe2 N2 O10 -","- C196 H164 Fe4 N4 O20 -","2","0.5","","Zhao, Min; Song, Datong; Lippard, Stephen J.","Water Induces a Structural Conversion and Accelerates the Oxygenation of Carboxylate-Bridged Non-Heme Diiron Enzyme Synthetic Analogues","Inorganic Chemistry","2006","45","16","6323","6330","10.1021/ic0602906","","","0.71073","MoKα","","0.0985","0.0757","","","0.1465","0.156","","","","","","1.153","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332363","16.152","0.002","16.874","0.002","17.106","0.002","109.585","0.002","90.022","0.002","93.587","0.002","4382.8","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C98.75 H83 Cl1.5 Fe2 N2 O11 -","- C98.75 H83 Cl1.5 Fe2 N2 O11 -","- C197.5 H166 Cl3 Fe4 N4 O22 -","2","1","","Zhao, Min; Song, Datong; Lippard, Stephen J.","Water Induces a Structural Conversion and Accelerates the Oxygenation of Carboxylate-Bridged Non-Heme Diiron Enzyme Synthetic Analogues","Inorganic Chemistry","2006","45","16","6323","6330","10.1021/ic0602906","","","0.71073","MoKα","","0.1718","0.103","","","0.2395","0.2778","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332364","6.1876","0.0012","7.6979","0.0015","5.4801","0.0011","102.36","0.03","93.28","0.03","87.53","0.03","254.43","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- Cu3 Ge4 Na2 O12 -","- Cu3 Ge4 Na2 O12 -","- Cu3 Ge4 Na2 O12 -","1","0.5","","Mo, Xunhua; Etheredge, Kristen M. S.; Hwu, Shiou-Jyh; Huang, Qun","New Cuprates Featuring Ladderlike Periodic Arrays of [Cu3O8]10-Trimeric Magnetic Nanostructures","Inorganic Chemistry","2006","45","9","3478","3480","10.1021/ic060292q","","","0.71073","MoKα","","0.0398","0.0379","","","0.1103","0.1118","","","","","","1.009","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332365","6.1719","0.0012","7.6784","0.0015","5.4198","0.0011","102.22","0.03","93.26","0.03","87.84","0.03","250.53","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- Cu3 Ge3.13 Na2 O12 Si0.87 -","- Cu3 Ge3.138 Na2 O12 Si0.862 -","- Cu3 Ge3.138 Na2 O12 Si0.862 -","1","0.5","","Mo, Xunhua; Etheredge, Kristen M. S.; Hwu, Shiou-Jyh; Huang, Qun","New Cuprates Featuring Ladderlike Periodic Arrays of [Cu3O8]10-Trimeric Magnetic Nanostructures","Inorganic Chemistry","2006","45","9","3478","3480","10.1021/ic060292q","","","0.71073","MoKα","","0.0266","0.0261","","","0.0812","0.0819","","","","","","1.01","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332366","6.152","0.0012","7.655","0.0015","5.365","0.0011","102.01","0.03","93.37","0.03","88.13","0.03","246.65","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- Cu3 Ge2.28 Na2 O12 Si1.72 -","- Cu3 Ge2.276 Na2 O12 Si1.724 -","- Cu3 Ge2.276 Na2 O12 Si1.724 -","1","0.5","","Mo, Xunhua; Etheredge, Kristen M. S.; Hwu, Shiou-Jyh; Huang, Qun","New Cuprates Featuring Ladderlike Periodic Arrays of [Cu3O8]10-Trimeric Magnetic Nanostructures","Inorganic Chemistry","2006","45","9","3478","3480","10.1021/ic060292q","","","0.71073","MoKα","","0.0275","0.0269","","","0.0713","0.0719","","","","","","0.893","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332367","22.508","0.003","11.0307","0.0016","6.8261","0.001","90","","103.038","0.002","90","","1651.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ge Na1.5 Se4.25 Sm -","- Ge Na1.5 Se4.25 Sm -","- Ge8 Na12 Se34 Sm8 -","8","1","","Choudhury, Amitava; Dorhout, Peter K.","Destruction of Noncentrosymmetry through Chalcogenide Salt Inclusion","Inorganic Chemistry","2006","45","14","5245","5247","10.1021/ic060294a","","","0.71073","MoKα","","0.043","0.0358","","","0.0845","0.0899","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332368","9.5276","0.001","28.682","0.005","11.657","0.003","90","","90","","90","","3185.5","1","140","2","140","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C42 H62 Br2 Ca4 N12 O34 -","- C42 H62 Br2 Ca4 N12 O34 -","- C84 H124 Br4 Ca8 N24 O68 -","2","0.25","","Fei, Zhaofu; Geldbach, Tilmann J.; Scopelliti, Rosario; Dyson, Paul J.","Metal−Organic Frameworks Derived from Imidazolium Dicarboxylates and Group I and II Salts","Inorganic Chemistry","2006","45","16","6331","6337","10.1021/ic060297n","","","0.7107","MoKα","","0.1125","0.0908","","","0.2569","0.287","","","","","","1.095","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332369","11.4977","0.0009","15.7562","0.0014","8.7724","0.0008","90","","101.991","0.007","90","","1554.5","0.2","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 Br2 N4 O19 Sr2 -","- C14 H32 Br2 N4 O19 Sr2 -","- C28 H64 Br4 N8 O38 Sr4 -","2","0.5","","Fei, Zhaofu; Geldbach, Tilmann J.; Scopelliti, Rosario; Dyson, Paul J.","Metal−Organic Frameworks Derived from Imidazolium Dicarboxylates and Group I and II Salts","Inorganic Chemistry","2006","45","16","6331","6337","10.1021/ic060297n","","","0.71073","MoKα","","0.0606","0.0513","","","0.1305","0.1358","","","","","","1.082","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332370","12.4238","0.001","5.1394","0.0004","10.2685","0.0007","90","","90","","90","","655.65","0.09","140","2","140","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C7 H15 Cs N2 O8 -","- C7 H15 Cs N2 O8 -","- C14 H30 Cs2 N4 O16 -","2","0.5","","Fei, Zhaofu; Geldbach, Tilmann J.; Scopelliti, Rosario; Dyson, Paul J.","Metal−Organic Frameworks Derived from Imidazolium Dicarboxylates and Group I and II Salts","Inorganic Chemistry","2006","45","16","6331","6337","10.1021/ic060297n","","","0.71073","MoKα","","0.0159","0.0159","","","0.0406","0.0406","","","","","","1.081","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332371","11.8185","0.0007","12.3124","0.0007","13.1178","0.0005","105.826","0.005","103.715","0.005","95.216","0.005","1759.22","0.18","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Ba5 Br5 N10 O41.11 -","- C36 H32 Ba5 Br5 N10 O41.114 -","- C36 H32 Ba5 Br5 N10 O41.114 -","1","0.5","","Fei, Zhaofu; Geldbach, Tilmann J.; Scopelliti, Rosario; Dyson, Paul J.","Metal−Organic Frameworks Derived from Imidazolium Dicarboxylates and Group I and II Salts","Inorganic Chemistry","2006","45","16","6331","6337","10.1021/ic060297n","","","0.71073","MoKα","","0.0404","0.0368","","","0.1015","0.1037","","","","","","1.04","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332372","11.5966","0.0009","9.8494","0.0006","13.8793","0.0009","90","","96.639","0.006","90","","1574.66","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H25 Cl2 N3 O Ti -","- C11 H25 Cl2 N3 O Ti -","- C44 H100 Cl8 N12 O4 Ti4 -","4","1","","Porter, Robin M.; Danopoulos, Andreas A.; Reid, Gillian","Titanium(IV) and Zirconium(IV) Amido Complexes Derived from the Azaoxa Macrocycle 3,3-Dimethyl-1,5-diaza-8-oxacyclodecane","Inorganic Chemistry","2006","45","16","6516","6522","10.1021/ic060302n","","","0.71073","MoKα","","0.0652","0.042","","","0.0856","0.0933","","","","","","1.038","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332373","11.5453","0.0015","17.8984","0.0014","24.843","0.003","90","","90","","90","","5133.6","1","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H38 Cl4 N4 O3 Ti2 -","- C18 H38 Cl4 N4 O3 Ti2 -","- C144 H304 Cl32 N32 O24 Ti16 -","8","1","","Porter, Robin M.; Danopoulos, Andreas A.; Reid, Gillian","Titanium(IV) and Zirconium(IV) Amido Complexes Derived from the Azaoxa Macrocycle 3,3-Dimethyl-1,5-diaza-8-oxacyclodecane","Inorganic Chemistry","2006","45","16","6516","6522","10.1021/ic060302n","","","0.71073","MoKα","","0.0945","0.0428","","","0.0722","0.0847","","","","","","0.94","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332374","8.598","0.005","12.572","0.004","28.968","0.019","90","","90","","90","","3131","3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H25 Cl2 N3 O Zr -","- C11 H25 Cl2 N3 O Zr -","- C88 H200 Cl16 N24 O8 Zr8 -","8","1","","Porter, Robin M.; Danopoulos, Andreas A.; Reid, Gillian","Titanium(IV) and Zirconium(IV) Amido Complexes Derived from the Azaoxa Macrocycle 3,3-Dimethyl-1,5-diaza-8-oxacyclodecane","Inorganic Chemistry","2006","45","16","6516","6522","10.1021/ic060302n","","","0.71073","MoKα","","0.1263","0.063","","","0.1088","0.1246","","","","","","1.035","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332375","10.5836","0.0007","8.6093","0.0004","23.0627","0.0016","90","","97.982","0.006","90","","2081.1","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H66 Cl4 N6 O2 Zr2 -","- C33 H66 Cl4 N6 O2 Zr2 -","- C66 H132 Cl8 N12 O4 Zr4 -","2","0.5","","Porter, Robin M.; Danopoulos, Andreas A.; Reid, Gillian","Titanium(IV) and Zirconium(IV) Amido Complexes Derived from the Azaoxa Macrocycle 3,3-Dimethyl-1,5-diaza-8-oxacyclodecane","Inorganic Chemistry","2006","45","16","6516","6522","10.1021/ic060302n","","","0.71073","MoKα","","0.0654","0.0427","","","0.0772","0.0837","","","","","","1.058","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332376","13.485","0.005","19.862","0.005","16.344","0.005","90","","90","","90","","4378","2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H39 Cl N4 O Zr -","- C17 H39 Cl N4 O Zr -","- C136 H312 Cl8 N32 O8 Zr8 -","8","1","","Porter, Robin M.; Danopoulos, Andreas A.; Reid, Gillian","Titanium(IV) and Zirconium(IV) Amido Complexes Derived from the Azaoxa Macrocycle 3,3-Dimethyl-1,5-diaza-8-oxacyclodecane","Inorganic Chemistry","2006","45","16","6516","6522","10.1021/ic060302n","","","0.71073","MoKα","","0.1215","0.066","","","0.1008","0.115","","","","","","1.043","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332377","8.383","0.005","23.561","0.016","7.947","0.0018","90","","105.88","0.03","90","","1509.7","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H29 Al N2 O -","- C12 H29 Al N2 O -","- C48 H116 Al4 N8 O4 -","4","1","","Porter, Robin M.; Danopoulos, Andreas A.; Reid, Gillian","Titanium(IV) and Zirconium(IV) Amido Complexes Derived from the Azaoxa Macrocycle 3,3-Dimethyl-1,5-diaza-8-oxacyclodecane","Inorganic Chemistry","2006","45","16","6516","6522","10.1021/ic060302n","","","0.71073","MoKα","","0.0603","0.0391","","","0.0866","0.0948","","","","","","1.031","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332378","16.6126","0.0002","18.5955","0.0003","23.9217","0.0004","76.806","0.0005","83.1942","0.0005","74.9826","0.0007","6935.23","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","(DBUH+1)[Re(CO)3(p-Methyloxacalix[3]areneH-2)]","","","- C264 H300 N8 O60 Re4 -","- C264 H300 N8 O60 Re4 -","- C264 H300 N8 O60 Re4 -","1","0.5","","Hinrichs, Matthias; Hofbauer, Florian R.; Klüfers, Peter; Suhanji, Mihael","Oxacalix[3]arene Complexes with the ReI(CO)3Fragment†","Inorganic Chemistry","2006","45","17","6688","6693","10.1021/ic0603048","","","0.71073","MoKα","","0.2424","0.0853","","","0.1945","0.2522","","","","","","0.972","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332379","14.1272","0.0002","23.5791","0.0004","24.6058","0.0005","109.952","0.0006","100.261","0.0006","96.7309","0.0006","7439.5","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","(NEt4)[Re(CO)3(p-Isopropyloxacalix[3]areneH-2)]","","","- C312 H414 N6 O60 Re4 -","- C312 H414 N6 O60 Re4 -","- C312 H414 N6 O60 Re4 -","1","0.5","","Hinrichs, Matthias; Hofbauer, Florian R.; Klüfers, Peter; Suhanji, Mihael","Oxacalix[3]arene Complexes with the ReI(CO)3Fragment†","Inorganic Chemistry","2006","45","17","6688","6693","10.1021/ic0603048","","","0.71073","MoKα","","0.2801","0.0952","","","0.1759","0.2352","","","","","","0.989","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332380","9.1852","0.0003","9.9042","0.0003","15.9634","0.0005","82.3567","0.0016","75.3812","0.0016","74.8731","0.0014","1353.01","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Komplex mit Zersetzungsprodukt des Esterzyklus","","","- C46 H54 N4 O14 Re2 -","- C46 H54 N4 O14 Re2 -","- C46 H54 N4 O14 Re2 -","1","0.5","","Hinrichs, Matthias; Hofbauer, Florian R.; Klüfers, Peter; Suhanji, Mihael","Oxacalix[3]arene Complexes with the ReI(CO)3Fragment†","Inorganic Chemistry","2006","45","17","6688","6693","10.1021/ic0603048","","","0.71069","MoKα","","0.0953","0.0617","","","0.1557","0.1717","","","","","","1.034","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332381","11.62","0.003","12.72","0.003","18.03","0.005","77.717","0.006","84.601","0.005","87.871","0.006","2592","1.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C117 H106 Cl2 D4 Fe2 N4 O8 -","- C117 Cl2.288 D108 Fe2 N4 O8 -","- C117 Cl2.288 D108 Fe2 N4 O8 -","1","0.5","","Yoon, Sungho; Lippard, Stephen J.","Mechanistic Studies of the OxidativeN-Dealkylation of a Substrate Tethered to Carboxylate-Bridged Diiron(II) Complexes, [Fe2(μ-O2CArTol)2(O2CArTol)2(N,N-Bn2en)2]","Inorganic Chemistry","2006","45","14","5438","5446","10.1021/ic060307k","","","0.71073","MoKα","","0.1661","0.0734","","","0.1613","0.2018","","","","","","1.012","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332382","11.3905","0.001","14.7167","0.0013","15.2859","0.0014","77.822","0.002","72.178","0.002","82.189","0.002","2377.5","0.4","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H104 D4 Fe2 N4 O8 -","- C116 D96 Fe2 N4 O8 -","- C116 D96 Fe2 N4 O8 -","1","0.5","","Yoon, Sungho; Lippard, Stephen J.","Mechanistic Studies of the OxidativeN-Dealkylation of a Substrate Tethered to Carboxylate-Bridged Diiron(II) Complexes, [Fe2(μ-O2CArTol)2(O2CArTol)2(N,N-Bn2en)2]","Inorganic Chemistry","2006","45","14","5438","5446","10.1021/ic060307k","","","0.71073","MoKα","","0.2036","0.0779","","","0.2018","0.3071","","","","","","0.83","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332383","13.444","0.002","14.246","0.002","16.066","0.003","68.22","0.003","66.366","0.003","77.837","0.003","2610.8","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H114 Cl2 Fe2 N4 O10 -","- C119.144 H112.432 Cl2 Fe2 N4 O10.144 -","- C119.144 H112.432 Cl2 Fe2 N4 O10.144 -","1","0.5","","Yoon, Sungho; Lippard, Stephen J.","Mechanistic Studies of the OxidativeN-Dealkylation of a Substrate Tethered to Carboxylate-Bridged Diiron(II) Complexes, [Fe2(μ-O2CArTol)2(O2CArTol)2(N,N-Bn2en)2]","Inorganic Chemistry","2006","45","14","5438","5446","10.1021/ic060307k","","","0.71073","MoKα","","0.1161","0.0677","","","0.1696","0.2003","","","","","","1.048","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332384","13.373","0.002","14.135","0.002","16.105","0.003","68.356","0.002","66.365","0.002","79.231","0.003","2589.6","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H116 Cl4 Fe2 N4 O8 -","- C120.28 H114.84 Cl4 Fe2 N4 O8 -","- C120.28 H114.84 Cl4 Fe2 N4 O8 -","1","0.5","","Yoon, Sungho; Lippard, Stephen J.","Mechanistic Studies of the OxidativeN-Dealkylation of a Substrate Tethered to Carboxylate-Bridged Diiron(II) Complexes, [Fe2(μ-O2CArTol)2(O2CArTol)2(N,N-Bn2en)2]","Inorganic Chemistry","2006","45","14","5438","5446","10.1021/ic060307k","","","0.71073","MoKα","","0.0669","0.0551","","","0.1355","0.1439","","","","","","1.042","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332385","13.2882","0.0018","14.107","0.002","16.17","0.002","102.139","0.002","114.168","0.002","100.61","0.002","2576.6","0.6","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H110 Cl4 F2 Fe2 N4 O8 -","- C118 H108 Cl4 F2 Fe2 N4 O8 -","- C118 H108 Cl4 F2 Fe2 N4 O8 -","1","0.5","","Yoon, Sungho; Lippard, Stephen J.","Mechanistic Studies of the OxidativeN-Dealkylation of a Substrate Tethered to Carboxylate-Bridged Diiron(II) Complexes, [Fe2(μ-O2CArTol)2(O2CArTol)2(N,N-Bn2en)2]","Inorganic Chemistry","2006","45","14","5438","5446","10.1021/ic060307k","","","0.71073","MoKα","","0.0565","0.0433","","","0.1163","0.1267","","","","","","1.023","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332386","13.341","0.003","14.16","0.003","16.147","0.003","68.32","0.03","66.26","0.03","79.14","0.03","2591.9","1.2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C118 H110 Cl6 Fe2 N4 O8 -","- C118 H108 Cl6 Fe2 N4 O8 -","- C118 H108 Cl6 Fe2 N4 O8 -","1","0.5","","Yoon, Sungho; Lippard, Stephen J.","Mechanistic Studies of the OxidativeN-Dealkylation of a Substrate Tethered to Carboxylate-Bridged Diiron(II) Complexes, [Fe2(μ-O2CArTol)2(O2CArTol)2(N,N-Bn2en)2]","Inorganic Chemistry","2006","45","14","5438","5446","10.1021/ic060307k","","","0.71073","MoKα","","0.112","0.0534","","","0.1132","0.1405","","","","","","0.96","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332387","9.048","0.004","9.274","0.004","13.587","0.006","100.925","0.009","92.436","0.007","96.813","0.009","1109.1","0.8","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H54 Cl4 N4 O13 Zn2 -","- C38 H54 Cl4 N4 O13 Zn2 -","- C38 H54 Cl4 N4 O13 Zn2 -","1","1","","Tang, Yun-Zhi; Huang, Xue-Feng; Song, Yu-Mei; Hong Chan, Philip Wai; Xiong, Ren-Gen","Homochiral 1D Zinc−Quitenine Coordination Polymer with a High Dielectric Constant","Inorganic Chemistry","2006","45","13","4868","4870","10.1021/ic0603095","","","0.71073","MoKα","","0.0623","0.0498","","","0.0988","0.1012","","","","","","0.989","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332388","17.607","0.007","17.944","0.007","18.792","0.007","107.12","0.012","96.344","0.013","117.087","0.015","4839","3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H124 Cl4 Fe8 O3 P8 Pd4 -","- C88 H100 Cl4 Fe8 P8 Pd4 -","- C176 H200 Cl8 Fe16 P16 Pd8 -","2","1","","Dell'Anna, Maria Michela; Englert, Ulli; Latronico, Mario; Luis, Pablo Lorenzo; Mastrorilli, Piero; Papa, Daniela Giardina; Nobile, Cosimo Francesco; Peruzzini, Maurizio","Reactivity of (Ferrocenylmethyl)phosphine toward Palladium and Platinum Chlorides. X-ray Structure of [Pd(PH2CH2Fc)Cl(μ-PHCH2Fc)]4(Fc = Ferrocenyl), a Unique Complex Containing a Pd4P4Cycle","Inorganic Chemistry","2006","45","17","6892","6900","10.1021/ic060311w","","","0.71073","MoKα","","0.1669","0.1246","","","0.2544","0.2763","","","","","","1.145","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332389","7.577","0.005","12.608","0.005","25.024","0.005","90","","90","","90","","2390.6","1.9","173","2","173","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C28 H18 Mo2 O6 -","- C28 H18 Mo2 O6 -","- C112 H72 Mo8 O24 -","4","0.5","","Croizat, Pierre; Auvray, Nicolas; Braunstein, Pierre; Welter, Richard","Comparative Bonding Behavior of Functional Cyclopentadienyl Ligands and Boron-Containing Analogues in Heterometallic Complexes and Clusters†","Inorganic Chemistry","2006","45","15","5852","5866","10.1021/ic060318d","","","0.71069","MoKα","","0.0507","0.0271","","","0.0611","0.0719","","","","","","0.872","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332390","10.9789","0.001","14.453","0.002","13.274","0.002","90","","105.73","0.05","90","","2027.4","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Mo2 O6 P2 Pd2 -","- C40 H48 Mo2 O6 P2 Pd2 -","- C80 H96 Mo4 O12 P4 Pd4 -","2","0.5","","Croizat, Pierre; Auvray, Nicolas; Braunstein, Pierre; Welter, Richard","Comparative Bonding Behavior of Functional Cyclopentadienyl Ligands and Boron-Containing Analogues in Heterometallic Complexes and Clusters†","Inorganic Chemistry","2006","45","15","5852","5866","10.1021/ic060318d","","","0.71073","MoKα","","0.1875","0.0866","","","0.086","0.1087","","","","","","1.1","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332391","8.833","0.002","10.101","0.004","12.733","0.005","75.444","0.005","89.467","0.005","67.042","0.005","1007.5","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H46 B2 Mo2 N2 O6 Pd2 -","- C38 H46 B2 Mo2 N2 O6 Pd2 -","- C38 H46 B2 Mo2 N2 O6 Pd2 -","1","0.5","","Croizat, Pierre; Auvray, Nicolas; Braunstein, Pierre; Welter, Richard","Comparative Bonding Behavior of Functional Cyclopentadienyl Ligands and Boron-Containing Analogues in Heterometallic Complexes and Clusters†","Inorganic Chemistry","2006","45","15","5852","5866","10.1021/ic060318d","","","0.71069","MoKα","","0.096","0.0516","","","0.1044","0.1207","","","","","","0.921","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332392","8.352","0.005","20.035","0.005","10.811","0.005","90","","103.05","0.05","90","","1762.3","1.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 B2 Mo2 N2 O6 Pd2 -","- C32 H46 B2 Mo2 N2 O6 Pd2 -","- C64 H92 B4 Mo4 N4 O12 Pd4 -","2","0.5","","Croizat, Pierre; Auvray, Nicolas; Braunstein, Pierre; Welter, Richard","Comparative Bonding Behavior of Functional Cyclopentadienyl Ligands and Boron-Containing Analogues in Heterometallic Complexes and Clusters†","Inorganic Chemistry","2006","45","15","5852","5866","10.1021/ic060318d","","","0.71069","MoKα","","0.0733","0.0444","","","0.1276","0.141","","","","","","1.078","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332393","9.208","0.001","9.938","0.001","11.061","0.001","106.08","0.05","99.15","0.05","102.49","0.05","923.3","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H50 Mo2 N2 O6 P2 Pd2 -","- C32 H50 Mo2 N2 O6 P2 Pd2 -","- C32 H50 Mo2 N2 O6 P2 Pd2 -","1","0.5","","Croizat, Pierre; Auvray, Nicolas; Braunstein, Pierre; Welter, Richard","Comparative Bonding Behavior of Functional Cyclopentadienyl Ligands and Boron-Containing Analogues in Heterometallic Complexes and Clusters†","Inorganic Chemistry","2006","45","15","5852","5866","10.1021/ic060318d","","","0.7107","MoKα","","0.0541","0.0355","","","0.0911","0.1016","","","","","","1.044","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332394","8.959","0.001","10.128","0.001","11.077","0.001","108.28","0.05","97.83","0.05","101.97","0.05","911.4","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H50 Mo2 N2 O6 P2 Pt2 -","- C32 H50 Mo2 N2 O6 P2 Pt2 -","- C32 H50 Mo2 N2 O6 P2 Pt2 -","1","0.5","","Croizat, Pierre; Auvray, Nicolas; Braunstein, Pierre; Welter, Richard","Comparative Bonding Behavior of Functional Cyclopentadienyl Ligands and Boron-Containing Analogues in Heterometallic Complexes and Clusters†","Inorganic Chemistry","2006","45","15","5852","5866","10.1021/ic060318d","","","0.7107","MoKα","","0.0815","0.0623","","","0.137","0.1465","","","","","","1.05","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332395","8.158","0.0002","8.625","0.0003","9.996","0.0003","78.12","0.0015","67.79","0.0012","74.37","0.002","622.8","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Mo2 N2 O8 Pt2 -","- C22 H20 Mo2 N2 O8 Pt2 -","- C22 H20 Mo2 N2 O8 Pt2 -","1","0.5","","Croizat, Pierre; Auvray, Nicolas; Braunstein, Pierre; Welter, Richard","Comparative Bonding Behavior of Functional Cyclopentadienyl Ligands and Boron-Containing Analogues in Heterometallic Complexes and Clusters†","Inorganic Chemistry","2006","45","15","5852","5866","10.1021/ic060318d","","","0.7107","MoKα","","0.0615","0.042","","","0.0887","0.0961","","","","","","0.982","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332396","10.5441","0.0015","11.3731","0.0016","25.496","0.004","82.547","0.003","85.025","0.002","75.466","0.002","2929.9","0.7","137","2","137","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H88 Fe N12 O19.5 -","- C51 H81.1 Fe N12 O19.5 -","- C102 H162.2 Fe2 N24 O39 -","2","1","","Dertz, Emily A.; Xu, Jide; Raymond, Kenneth N.","Tren-Based Analogues of Bacillibactin: Structure and Stability1","Inorganic Chemistry","2006","45","14","5465","5478","10.1021/ic060321x","","","0.71073","MoKα","","0.1351","0.0672","","","0.1451","0.176","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332397","7.3338","0.0009","6.3291","0.0008","20.95","0.003","90","","96.703","0.002","90","","965.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl2 Mn N6 O2 P2 -","- C12 H28 Cl2 Mn N6 O2 P2 -","- C24 H56 Cl4 Mn2 N12 O4 P4 -","2","0.5","","Frost, Brian J.; Bautista, Carolyn M.; Huang, Rongcai; Shearer, Jason","Manganese Complexes of 1,3,5-Triaza-7-phosphaadamantane (PTA): The First Nitrogen-Bound Transition-Metal Complex of PTA","Inorganic Chemistry","2006","45","9","3481","3483","10.1021/ic060322p","","x-ray","0.71073","MoKα","","0.045","0.035","","","0.0654","0.0675","","","","","","0.939","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332398","7.3749","0.0004","6.5706","0.0003","20.7553","0.0011","90","","96.817","0.001","90","","998.64","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Br2 Mn N6 O2 P2 -","- C12 H28 Br2 Mn N6 O2 P2 -","- C24 H56 Br4 Mn2 N12 O4 P4 -","2","0.5","","Frost, Brian J.; Bautista, Carolyn M.; Huang, Rongcai; Shearer, Jason","Manganese Complexes of 1,3,5-Triaza-7-phosphaadamantane (PTA): The First Nitrogen-Bound Transition-Metal Complex of PTA","Inorganic Chemistry","2006","45","9","3481","3483","10.1021/ic060322p","","","0.71073","MoKα","","0.0637","0.0392","","","0.0717","0.0788","","","","","","0.969","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332399","21.9004","0.0009","7.2807","0.0003","11.8634","0.0005","90","","90","","90","","1891.62","0.14","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H28 Br2 Mn N8 O2 -","- C12 H28 Br2 Mn N8 O2 -","- C48 H112 Br8 Mn4 N32 O8 -","4","1","","Frost, Brian J.; Bautista, Carolyn M.; Huang, Rongcai; Shearer, Jason","Manganese Complexes of 1,3,5-Triaza-7-phosphaadamantane (PTA): The First Nitrogen-Bound Transition-Metal Complex of PTA","Inorganic Chemistry","2006","45","9","3481","3483","10.1021/ic060322p","","","0.71073","MoKα","","0.0241","0.0219","","","0.0491","0.0497","","","","","","1.038","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332400","9.151","0.002","9.151","0.002","13.023","0.005","90","","90","","90","","1090.6","0.5","243","2","243","2","","","","","","","","6","P 41","P 4w","76","Li(C7H8N4)ClO4","Lithium(bisimidazole)perchlorate","","- C7 H8 Cl Li N4 O4 -","- C7 H8 Cl Li N4 O4 -","- C28 H32 Cl4 Li4 N16 O16 -","4","1","","Hwang, In-Chul; Chandran, R. Prakash; Singh, N. Jiten; Khandelwal, Manish; Thangadurai, T. Daniel; Lee, Jung-Woo; Chang, Jeong Ah; Kim, Kwang S.","Organic−Inorganic Hybrid Compounds of Li with Bisimidazole Derivatives: Li Ion Binding Study and Topochemical Properties","Inorganic Chemistry","2006","45","20","8062","8069","10.1021/ic060323h","","","0.71073","MoKα","","0.0727","0.0562","","","0.1454","0.1544","","","","","","0.98","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332401","12.318","0.007","22.84","0.013","14.759","0.008","90","","90","","90","","4152","4","293","2","293","2","","","","","","","","6","A b m 2","A 2 -2b","39","Li(C23H16N4)2ClO4(CH3CN)","Lithium-di(pyrenylbisimidzolylmethan)perchlorate","","- C48 H35 Cl Li N9 O4 -","- C48 H35 Cl Li N9 O4 -","- C192 H140 Cl4 Li4 N36 O16 -","4","","","Hwang, In-Chul; Chandran, R. Prakash; Singh, N. Jiten; Khandelwal, Manish; Thangadurai, T. Daniel; Lee, Jung-Woo; Chang, Jeong Ah; Kim, Kwang S.","Organic−Inorganic Hybrid Compounds of Li with Bisimidazole Derivatives: Li Ion Binding Study and Topochemical Properties","Inorganic Chemistry","2006","45","20","8062","8069","10.1021/ic060323h","","","0.71073","MoKα","","0.0996","0.06","","","0.1619","0.1765","","","","","","0.911","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332402","9.7823","0.0006","19.4732","0.0014","12.2177","0.001","90","","92.099","0.005","90","","2325.8","0.3","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Cs7 Ge H12 K O42 W10 -","- Cs6.3 Ge K0.7 O42 W10 -","- Cs12.6 Ge2 K1.4 O84 W20 -","2","1","","Nsouli, Nadeen H.; Bassil, Bassem S.; Dickman, Michael H.; Kortz, Ulrich; Keita, Bineta; Nadjo, Louis","Synthesis and Structure of Dilacunary Decatungstogermanate, [γ-GeW10O36]8-","Inorganic Chemistry","2006","45","10","3858","3860","10.1021/ic0603252","","","0.71073","MoKα","","0.0809","0.0667","","","0.1698","0.1821","","","","","","1.026","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332403","9.936","0.003","9.936","0.003","17.727","0.005","90","","90","","90","","1750.1","0.9","193","2","193","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C20 H52 Li2 N2 O2 Sn4 -","- C20 H52 Li2 N2 O2 Sn4 -","- C40 H104 Li4 N4 O4 Sn8 -","2","0.25","","Eichler, Jack F.; Just, Oliver; Rees, William S.","Synthesis and Characterization of Imidocubanes with Exocube GeIVand SnIVSubstituents: [M(μ3-NGeMe3)]4(M = Sn, Ge, Pb); [Sn(μ3-NSnMe3)]4","Inorganic Chemistry","2006","45","17","6706","6712","10.1021/ic060331y","","","0.71073","MoKα","","0.0792","0.0487","","","0.129","0.1358","","","","","","0.981","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332404","9.7798","0.0006","9.7798","0.0006","17.664","0.002","90","","90","","90","","1689.5","0.2","193","2","193","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C20 H56 Ge2 Li2 N2 O2 Sn2 -","- C20 H56 Ge2 Li2 N2 O2 Sn2 -","- C40 H112 Ge4 Li4 N4 O4 Sn4 -","2","0.25","","Eichler, Jack F.; Just, Oliver; Rees, William S.","Synthesis and Characterization of Imidocubanes with Exocube GeIVand SnIVSubstituents: [M(μ3-NGeMe3)]4(M = Sn, Ge, Pb); [Sn(μ3-NSnMe3)]4","Inorganic Chemistry","2006","45","17","6706","6712","10.1021/ic060331y","","","0.71073","MoKα","","0.0465","0.0385","","","0.0977","0.1018","","","","","","1.075","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332405","11.2872","0.001","11.2872","0.001","11.2872","0.001","90","","90","","90","","1438","0.2","193","2","193","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C12 H36 Ge8 N4 -","- C12 H36 Ge8 N4 -","- C24 H72 Ge16 N8 -","2","0.0416667","","Eichler, Jack F.; Just, Oliver; Rees, William S.","Synthesis and Characterization of Imidocubanes with Exocube GeIVand SnIVSubstituents: [M(μ3-NGeMe3)]4(M = Sn, Ge, Pb); [Sn(μ3-NSnMe3)]4","Inorganic Chemistry","2006","45","17","6706","6712","10.1021/ic060331y","","","0.71073","MoKα","","0.0411","0.0339","","","0.0757","0.078","","","","","","1.047","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332406","12.52","0.004","17.891","0.005","15.642","0.005","90","","107.536","0.005","90","","3340.9","1.8","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Ge4 N4 O2 Sn4 -","- C12 H36 Ge4 N4 O2 Sn4 -","- C48 H144 Ge16 N16 O8 Sn16 -","4","0.5","","Eichler, Jack F.; Just, Oliver; Rees, William S.","Synthesis and Characterization of Imidocubanes with Exocube GeIVand SnIVSubstituents: [M(μ3-NGeMe3)]4(M = Sn, Ge, Pb); [Sn(μ3-NSnMe3)]4","Inorganic Chemistry","2006","45","17","6706","6712","10.1021/ic060331y","","","0.71073","MoKα","","0.1583","0.0865","","","0.2208","0.2579","","","","","","0.975","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332407","18.2282","0.0014","18.2282","0.0014","18.2282","0.0014","90","","90","","90","","6056.6","0.8","193","2","193","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C24 H36 Ge8 N8 Pb8 -","- C24 H18 Ge8 N8 Pb8 -","- C96 H72 Ge32 N32 Pb32 -","4","0.166667","","Eichler, Jack F.; Just, Oliver; Rees, William S.","Synthesis and Characterization of Imidocubanes with Exocube GeIVand SnIVSubstituents: [M(μ3-NGeMe3)]4(M = Sn, Ge, Pb); [Sn(μ3-NSnMe3)]4","Inorganic Chemistry","2006","45","17","6706","6712","10.1021/ic060331y","","","0.71073","MoKα","","0.1119","0.0579","","","0.1417","0.1753","","","","","","0.974","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332408","11.6106","0.0014","11.6106","0.0014","11.6106","0.0014","90","","90","","90","","1565.2","0.3","193","2","193","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C12 H36 N4 Sn8 -","- C12 H36 N4 Sn8 -","- C24 H72 N8 Sn16 -","2","0.0416667","","Eichler, Jack F.; Just, Oliver; Rees, William S.","Synthesis and Characterization of Imidocubanes with Exocube GeIVand SnIVSubstituents: [M(μ3-NGeMe3)]4(M = Sn, Ge, Pb); [Sn(μ3-NSnMe3)]4","Inorganic Chemistry","2006","45","17","6706","6712","10.1021/ic060331y","","","0.71073","MoKα","","0.0222","0.0214","","","0.0474","0.048","","","","","","1.226","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332409","11.5948","0.0016","23.461","0.002","14.608","0.002","90","","100.695","0.01","90","","3904.7","0.8","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 Cl4 N5 Ti3 Zn -","- C31 H53 Cl4 N5 Ti3 Zn -","- C124 H212 Cl16 N20 Ti12 Zn4 -","4","1","","Martín, Avelino; Martínez-Espada, Noelia; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Cube-Type Nitrido Complexes Containing Titanium and Zinc/Copper","Inorganic Chemistry","2006","45","17","6901","6911","10.1021/ic0603407","","x-ray","0.71073","MoKα","","0.1274","0.0618","","","0.1144","0.1352","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332410","18.9029","0.0017","11.0693","0.0018","22.51","0.002","90","","101.875","0.007","90","","4609.2","1","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 N4 Si Ti3 Zn -","- C45 H68 N4 Si Ti3 Zn -","- C180 H272 N16 Si4 Ti12 Zn4 -","4","1","","Martín, Avelino; Martínez-Espada, Noelia; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Cube-Type Nitrido Complexes Containing Titanium and Zinc/Copper","Inorganic Chemistry","2006","45","17","6901","6911","10.1021/ic0603407","","x-ray","0.71073","MoKα","","0.2309","0.0869","","","0.1718","0.2311","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332411","11.645","0.003","11.906","0.003","17.621","0.004","81.76","0.02","87.73","0.02","65.84","0.02","2205.6","1","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H65 N5 Si2 Ti3 Zn -","- C36 H65 N5 Si2 Ti3 Zn -","- C72 H130 N10 Si4 Ti6 Zn2 -","2","1","","Martín, Avelino; Martínez-Espada, Noelia; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Cube-Type Nitrido Complexes Containing Titanium and Zinc/Copper","Inorganic Chemistry","2006","45","17","6901","6911","10.1021/ic0603407","","x-ray","0.71073","MoKα","","0.0669","0.0472","","","0.1269","0.1369","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332412","12.3971","0.0019","14.963","0.003","22.185","0.002","90","","123.56","0.01","90","","3429.3","1","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H100 Cu2 N8 Ti6 -","- C66 H100 Cu2 N8 Ti6 -","- C132 H200 Cu4 N16 Ti12 -","2","0.5","","Martín, Avelino; Martínez-Espada, Noelia; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Cube-Type Nitrido Complexes Containing Titanium and Zinc/Copper","Inorganic Chemistry","2006","45","17","6901","6911","10.1021/ic0603407","","x-ray","0.71073","MoKα","","0.1376","0.0957","","","0.2816","0.307","","","","","","1.087","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332413","23.0203","","5.4403","","20.4391","","90","","90","","90","","2559.74","","","","293","","","","","","","","","4","P b a m","-P 2 2ab","55","bismuth cadmium oxide phosphate","","","- Bi15.32 Cd10 O58 P10 -","- Bi15.3376 Cd10.062 O57.9982 P10 -","- Bi30.6752 Cd20.124 O115.996 P20 -","2","0.25","","Colmont, Marie; Huvé, Marielle; Mentré, Olivier","Bi3+/M2+Oxyphosphate: A Continuous Series of Polycationic Species from the 1D Single Chain to the 2D Planes. Part 2: Crystal Structure of Three Original Structural Types Showing a Combination of New Ribbonlike Polycations","Inorganic Chemistry","2006","45","17","6612","6621","10.1021/ic060343j","","","0.71073","MoKα","","0.0656","0.0502","","","0.0502","0.0514","","","","3.16","3.16","2.88","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332414","11.5915","","5.3227","","24.7403","","90","","91.02","","90","","1526.19","","","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","bismuth cupper oxide phosphate","","","- Bi5.6 Cu2.07 O18 P3 -","- Bi5.6895 Cu2.406 O18 P3 -","- Bi22.758 Cu9.624 O72 P12 -","4","1","","Colmont, Marie; Huvé, Marielle; Mentré, Olivier","Bi3+/M2+Oxyphosphate: A Continuous Series of Polycationic Species from the 1D Single Chain to the 2D Planes. Part 2: Crystal Structure of Three Original Structural Types Showing a Combination of New Ribbonlike Polycations","Inorganic Chemistry","2006","45","17","6612","6621","10.1021/ic060343j","","","0.71073","MoKα","","0.1021","0.0635","","","0.0621","0.0709","","","","1.55","1.55","1.34","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332415","17.3885","0.0003","17.3885","0.0003","19.6855","0.0003","90","","90","","90","","5952.11","0.17","","","293","","","","","","","","","7","P 4/m","-P 4","83","","","","- C36 H178 Al8 F12 N12 O71 P12 -","- C39 Al8 F12 N12 O73.844 P12 -","- C78 Al16 F24 N24 O147.688 P24 -","2","0.25","","Kratochvil, Jan; Necas, Marek; Petricek, Vaclav; Pinkas, Jiri","Cubic Octanuclear Aluminum Fluoride Phosphonate†","Inorganic Chemistry","2006","45","17","6562","6564","10.1021/ic060344b","","","0.71069","MoKα","","0.178","0.081","","","0.0871","0.0888","","","","4.34","4.34","2.7","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332416","14.4251","0.0007","14.9688","0.0008","13.4458","0.0007","90","","116.13","0.001","90","","2606.6","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cu N6 O3 P -","- C26 H26 Cu N6 O3 P -","- C104 H104 Cu4 N24 O12 P4 -","4","1","","Reger, Daniel L.; Semeniuc, Radu F.; Gardinier, James R.; O'Neal, Jennifer; Reinecke, Bryn; Smith, Mark D.","NewN,N,N-Heteroscorpionates Based on 2,2‘-Bis(pyrazolyl)ethanamine and Its Derivatives. Ligands Designed for Probing Supramolecular Interactions","Inorganic Chemistry","2006","45","11","4337","4339","10.1021/ic060347o","","","0.71073","MoKα","","0.0596","0.0435","","","0.0864","0.0917","","","","","","0.96","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332417","8.3448","0.0005","11.0671","0.0006","19.4718","0.0011","83.351","0.001","86.171","0.001","83.428","0.001","1771.83","0.17","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C34.5 H35 Cl3 Cu N6 O3 P -","- C34.5 H35 Cl3 Cu N6 O3 P -","- C69 H70 Cl6 Cu2 N12 O6 P2 -","2","1","","Reger, Daniel L.; Semeniuc, Radu F.; Gardinier, James R.; O'Neal, Jennifer; Reinecke, Bryn; Smith, Mark D.","NewN,N,N-Heteroscorpionates Based on 2,2‘-Bis(pyrazolyl)ethanamine and Its Derivatives. Ligands Designed for Probing Supramolecular Interactions","Inorganic Chemistry","2006","45","11","4337","4339","10.1021/ic060347o","","","0.71073","MoKα","","0.0397","0.0371","","","0.0987","0.1007","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332418","12.447","0.003","24.227","0.007","17.726","0.005","90","","95.62","0.004","90","","5320","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H47.5 La2 N16.5 O18.5 -","- C43 H47.5 La2 N16.5 O18.5 -","- C172 H190 La8 N66 O74 -","4","1","","del C. Fernández-Fernández, M.; Bastida, R.; Macías, A.; Pérez-Lourido, P.; Platas-Iglesias, C.; Valencia, L.","Lanthanide(III) Complexes with a Tetrapyridine Pendant-Armed Macrocyclic Ligand: 1H NMR Structural Determination in Solution, X-ray Diffraction, and Density-Functional Theory Calculations","Inorganic Chemistry","2006","45","11","4484","4496","10.1021/ic0603508","","","0.71073","MoKα","","0.1431","0.0768","","","0.1809","0.2047","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332419","12.406","0.002","24.226","0.004","17.742","0.003","90","","95.738","0.003","90","","5305.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H47.5 Ce2 N16.5 O18.5 -","- C43 H47.5 Ce2 N16.5 O18.5 -","- C172 H190 Ce8 N66 O74 -","4","1","","del C. Fernández-Fernández, M.; Bastida, R.; Macías, A.; Pérez-Lourido, P.; Platas-Iglesias, C.; Valencia, L.","Lanthanide(III) Complexes with a Tetrapyridine Pendant-Armed Macrocyclic Ligand: 1H NMR Structural Determination in Solution, X-ray Diffraction, and Density-Functional Theory Calculations","Inorganic Chemistry","2006","45","11","4484","4496","10.1021/ic0603508","","","0.71073","MoKα","","0.0444","0.0297","","","0.1001","0.1061","","","","","","1.194","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332420","25.767","0.005","10.516","0.002","21.566","0.004","90","","108.331","0.004","90","","5547.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 N18 O19.5 Pr2 -","- C46 H52 N18 O19.5 Pr2 -","- C184 H208 N72 O78 Pr8 -","4","1","","del C. Fernández-Fernández, M.; Bastida, R.; Macías, A.; Pérez-Lourido, P.; Platas-Iglesias, C.; Valencia, L.","Lanthanide(III) Complexes with a Tetrapyridine Pendant-Armed Macrocyclic Ligand: 1H NMR Structural Determination in Solution, X-ray Diffraction, and Density-Functional Theory Calculations","Inorganic Chemistry","2006","45","11","4484","4496","10.1021/ic0603508","","","0.71073","MoKα","","0.1132","0.0502","","","0.1182","0.1349","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332421","14.2551","0.0008","20.932","0.0012","17.6226","0.001","90","","92.878","0.001","90","","5251.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Gd2 N16 O22 -","- C42 H46 Gd2 N16 O22 -","- C168 H184 Gd8 N64 O88 -","4","1","","del C. Fernández-Fernández, M.; Bastida, R.; Macías, A.; Pérez-Lourido, P.; Platas-Iglesias, C.; Valencia, L.","Lanthanide(III) Complexes with a Tetrapyridine Pendant-Armed Macrocyclic Ligand: 1H NMR Structural Determination in Solution, X-ray Diffraction, and Density-Functional Theory Calculations","Inorganic Chemistry","2006","45","11","4484","4496","10.1021/ic0603508","","","0.71073","MoKα","","0.0775","0.0427","","","0.0888","0.0973","","","","","","0.911","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332422","25.76","0.005","11.354","0.002","19.085","0.004","90","","104.791","0.003","90","","5397","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 N18 O18 Tb2 -","- C46 H52 N18 O18 Tb2 -","- C184 H208 N72 O72 Tb8 -","4","1","","del C. Fernández-Fernández, M.; Bastida, R.; Macías, A.; Pérez-Lourido, P.; Platas-Iglesias, C.; Valencia, L.","Lanthanide(III) Complexes with a Tetrapyridine Pendant-Armed Macrocyclic Ligand: 1H NMR Structural Determination in Solution, X-ray Diffraction, and Density-Functional Theory Calculations","Inorganic Chemistry","2006","45","11","4484","4496","10.1021/ic0603508","","","0.71073","MoKα","","0.0496","0.028","","","0.0664","0.0741","","","","","","1.105","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332423","23.387","0.004","19.441","0.003","24.101","0.004","90","","90","","90","","10958","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H46 Er2 N16 O24 -","- C42 H46 Er2 N16 O24 -","- C336 H368 Er16 N128 O192 -","8","1","","del C. Fernández-Fernández, M.; Bastida, R.; Macías, A.; Pérez-Lourido, P.; Platas-Iglesias, C.; Valencia, L.","Lanthanide(III) Complexes with a Tetrapyridine Pendant-Armed Macrocyclic Ligand: 1H NMR Structural Determination in Solution, X-ray Diffraction, and Density-Functional Theory Calculations","Inorganic Chemistry","2006","45","11","4484","4496","10.1021/ic0603508","","","0.71073","MoKα","","0.1976","0.0461","","","0.0676","0.0914","","","","","","0.738","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332424","23.496","0.01","19.495","0.008","24.189","0.01","90","","90","","90","","11080","8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H46 N16 O24 Tm2 -","- C42 H46 N16 O24 Tm2 -","- C336 H368 N128 O192 Tm16 -","8","1","","del C. Fernández-Fernández, M.; Bastida, R.; Macías, A.; Pérez-Lourido, P.; Platas-Iglesias, C.; Valencia, L.","Lanthanide(III) Complexes with a Tetrapyridine Pendant-Armed Macrocyclic Ligand: 1H NMR Structural Determination in Solution, X-ray Diffraction, and Density-Functional Theory Calculations","Inorganic Chemistry","2006","45","11","4484","4496","10.1021/ic0603508","","","0.71073","MoKα","","0.2232","0.0991","","","0.2051","0.2571","","","","","","0.942","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332425","9.0091","0.0002","10.1626","0.0003","11.4232","0.0003","88.785","0.001","82.811","0.001","65.061","0.001","940.31","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4,5-diaza-9-(4,5-di(cyanoethylthio)-1,3-dithiol-2-ylidene)-fluorene","","- C20 H14 N4 S4 -","- C20 H14 N4 S4 -","- C40 H28 N8 S8 -","2","1","","Baudron, Stéphane A.; Hosseini, Mir Wais","Sequential Generation of One-Dimensional Networks Based on a Differentiated Bischelate-Type Ligand Bearing Both 4,5-Diazafluorene and Dithiolene Units","Inorganic Chemistry","2006","45","14","5260","5262","10.1021/ic0603510","","","0.71073","MoKα","","0.0354","0.0312","","","0.0837","0.0864","","","","","","1.032","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332426","11.9414","0.0003","16.2499","0.0005","16.2344","0.0005","90","","104.168","0.002","90","","3054.41","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H84 N6 Ni S8 -","- C60 H78 N6 Ni S8 -","- C120 H156 N12 Ni2 S16 -","2","0.5","","Baudron, Stéphane A.; Hosseini, Mir Wais","Sequential Generation of One-Dimensional Networks Based on a Differentiated Bischelate-Type Ligand Bearing Both 4,5-Diazafluorene and Dithiolene Units","Inorganic Chemistry","2006","45","14","5260","5262","10.1021/ic0603510","","","0.71073","MoKα","","0.1047","0.0749","","","0.1957","0.2141","","","","","","1.043","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332427","40.8172","0.0017","9.56","0.0005","33.7035","0.0016","90","","106.945","0.002","90","","12580.6","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H84 Hg N6 S8 -","- C60 H84 Hg N6 S8 -","- C480 H672 Hg8 N48 S64 -","8","1","","Baudron, Stéphane A.; Hosseini, Mir Wais","Sequential Generation of One-Dimensional Networks Based on a Differentiated Bischelate-Type Ligand Bearing Both 4,5-Diazafluorene and Dithiolene Units","Inorganic Chemistry","2006","45","14","5260","5262","10.1021/ic0603510","","","0.71073","MoKα","","0.1204","0.0526","","","0.1171","0.1557","","","","","","1.017","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332428","25.4856","0.0008","14.2965","0.0004","17.7647","0.001","90","","129.564","0.001","90","","4989.9","0.4","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H42 Hg N4 Na2 O5 S13 -","- C38 H30 Hg N4 Na2 O5 S13 -","- C152 H120 Hg4 N16 Na8 O20 S52 -","4","1","","Baudron, Stéphane A.; Hosseini, Mir Wais","Sequential Generation of One-Dimensional Networks Based on a Differentiated Bischelate-Type Ligand Bearing Both 4,5-Diazafluorene and Dithiolene Units","Inorganic Chemistry","2006","45","14","5260","5262","10.1021/ic0603510","","","0.71073","MoKα","","0.048","0.0321","","","0.0697","0.0987","","","","","","0.997","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332429","12.036","0.0011","26.181","0.003","26.547","0.003","118.824","0.003","93.44","0.003","90.154","0.003","7310.9","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H103 N6 O31 S6 Zn7 -","- C78 H102 N6 O31 S6 Zn7 -","- C156 H204 N12 O62 S12 Zn14 -","2","1","","Gallant, Amanda J.; Chong, Jonathan H.; MacLachlan, Mark J.","Heptametallic Bowl-Shaped Complexes Derived from Conjugated Schiff-Base Macrocycles: Synthesis, Characterization, and X-ray Crystal Structures","Inorganic Chemistry","2006","45","14","5248","5250","10.1021/ic060352s","","","0.71073","MoKα","","0.1035","0.0731","","","0.1832","0.2056","","","","","","0.962","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332430","27.342","0.005","38.204","0.005","20.526","0.005","90","","113.343","0.005","90","","19686","7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C168 H194 N12 O50 Zn14 -","- C167.918 H193.874 N12 O50 Zn14 -","- C671.672 H775.496 N48 O200 Zn56 -","4","0.5","","Gallant, Amanda J.; Chong, Jonathan H.; MacLachlan, Mark J.","Heptametallic Bowl-Shaped Complexes Derived from Conjugated Schiff-Base Macrocycles: Synthesis, Characterization, and X-ray Crystal Structures","Inorganic Chemistry","2006","45","14","5248","5250","10.1021/ic060352s","","","0.71069","MoKα","","0.1013","0.0551","","","0.1355","0.1489","","","","","","1.015","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332431","6.43","0.003","7.632","0.003","7.658","0.003","68.017","0.016","74.181","0.016","81.465","0.019","334.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Br2 Ni5 O12 Se4 -","- Br2 Ni5 O12 Se4 -","- Br2 Ni5 O12 Se4 -","1","0.5","","Jiang, Hai-Long; Mao, Jiang-Gao","New Members in the Nin+1(QO3)nX2Family: Unusual 3D Network Based on Ni4ClO3Cubane-like Clusters in Ni7(TeO3)6Cl2","Inorganic Chemistry","2006","45","19","7593","7599","10.1021/ic060356x","","","0.71073","MoKα","","0.0461","0.0393","","","0.094","0.0975","","","","","","1.034","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332432","11.151","0.004","11.151","0.004","13.45","0.006","90","","90","","120","","1448.4","1","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cl2 Ni7 O18 Te6 -","- Cl2 Ni7 O18 Te6 -","- Cl6 Ni21 O54 Te18 -","3","0.166667","","Jiang, Hai-Long; Mao, Jiang-Gao","New Members in the Nin+1(QO3)nX2Family: Unusual 3D Network Based on Ni4ClO3Cubane-like Clusters in Ni7(TeO3)6Cl2","Inorganic Chemistry","2006","45","19","7593","7599","10.1021/ic060356x","","","0.71073","MoKα","","0.0325","0.0314","","","0.0799","0.0807","","","","","","1.323","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332433","9.281","0.003","9.423","0.003","10.113","0.003","100.218","0.001","99.068","0.004","115.88","0.002","755","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cl2 Ni11 O30 Te10 -","- Cl2 Ni11 O30 Te10 -","- Cl2 Ni11 O30 Te10 -","1","0.5","","Jiang, Hai-Long; Mao, Jiang-Gao","New Members in the Nin+1(QO3)nX2Family: Unusual 3D Network Based on Ni4ClO3Cubane-like Clusters in Ni7(TeO3)6Cl2","Inorganic Chemistry","2006","45","19","7593","7599","10.1021/ic060356x","","","0.71073","MoKα","","0.0272","0.0232","","","0.0556","0.0567","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332434","10.244","0.002","10.743","0.002","29.639","0.007","90","","90","","90","","3261.8","1.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H47 N3 O6 V -","- C32 H47 N3 O6 V -","- C128 H188 N12 O24 V4 -","4","1","","Milsmann, Carsten; Levina, Aviva; Harris, Hugh H.; Foran, Garry J.; Turner, Peter; Lay, Peter A.","Charge Distribution in Chromium and Vanadium Catecholato Complexes: X-ray Absorption Spectroscopic and Computational Studies","Inorganic Chemistry","2006","45","12","4743","4754","10.1021/ic0603611","","","0.71073","MoKα","","0.0611","0.0521","","","0.1355","0.1395","","","","","","1.295","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332435","9.545","0.003","10.663","0.003","29.819","0.009","90","","90","","90","","3034.9","1.6","25","2","25","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N2 O6 V -","- C30 H44 N2 O6 V -","- C120 H176 N8 O24 V4 -","4","1","","Milsmann, Carsten; Levina, Aviva; Harris, Hugh H.; Foran, Garry J.; Turner, Peter; Lay, Peter A.","Charge Distribution in Chromium and Vanadium Catecholato Complexes: X-ray Absorption Spectroscopic and Computational Studies","Inorganic Chemistry","2006","45","12","4743","4754","10.1021/ic0603611","","","0.71073","MoKα","","0.1084","0.0577","","","0.0828","0.0904","","","","","","1.093","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332437","14.214","0.003","18.257","0.004","18.259","0.004","90","","108.32","0.03","90","","4498.1","1.9","210","2","210","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H66 Cl2 Co2 Mo N6 O4 S2 -","- C39 H66 Cl2 Co2 Mo N6 O4 S2 -","- C156 H264 Cl8 Co8 Mo4 N24 O16 S8 -","4","1","","Lozan, Vasile; Kersting, Berthold","Stabilization of a Monomethyl Orthomolybdate in the Binding Pocket of a Dinuclear Cobalt Complex","Inorganic Chemistry","2006","45","14","5630","5634","10.1021/ic0603656","","","0.71073","MoKα","","0.2053","0.0785","","","0.1852","0.2468","","","","","","0.976","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332438","14.229","0.003","14.514","0.003","16.862","0.003","65.34","0.03","70.77","0.03","75.23","0.03","2960","1.3","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H176 Co4 Mo6 N12 O30 S4 -","- C89.996 H176 Co4 Mo6 N12 O30 S4 -","- C89.996 H176 Co4 Mo6 N12 O30 S4 -","1","0.5","","Lozan, Vasile; Kersting, Berthold","Stabilization of a Monomethyl Orthomolybdate in the Binding Pocket of a Dinuclear Cobalt Complex","Inorganic Chemistry","2006","45","14","5630","5634","10.1021/ic0603656","","","0.71073","MoKα","","0.1222","0.0527","","","0.1146","0.1391","","","","","","0.942","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332439","16.2027","0.0003","16.2027","0.0003","25.0578","0.001","90","","90","","120","","5697","0.3","273","2","273","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C21.67 H47.33 In4 N3.33 S8 -","- C16.51 In4 N3.00333 S8 -","- C99.06 In24 N18.02 S48 -","6","1","","Zhang, Qichun; Bu, Xianhui; Han, Lei; Feng, Pingyun","Two-Dimensional Indium Sulfide Framework Constructed from Pentasupertetrahedral P1 and Supertetrahedral T2 Clusters","Inorganic Chemistry","2006","45","17","6684","6687","10.1021/ic060367q","","","0.71073","MoKα","","0.0765","0.0515","","","0.1275","0.1437","","","","","","1.04","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332440","10.258","0.0002","15.2386","0.0003","16.9913","0.0004","90","","96.1396","0.0007","90","","2640.8","0.1","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 B Fe N12 -","- C23 H32 B Fe N12 -","- C92 H128 B4 Fe4 N48 -","4","1","","Li, Dongfeng; Clérac, Rodolphe; Parkin, Sean; Wang, Guangbin; Yee, Gordon T.; Holmes, Stephen M.","AnS= 2 Cyanide-Bridged Trinuclear FeIII2NiIISingle-Molecule Magnet","Inorganic Chemistry","2006","45","14","5251","5253","10.1021/ic060379b","","","0.71073","MoKα","","0.0793","0.0426","","","0.0851","0.0954","","","","","","1.035","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332441","8.6821","0.0008","16.6833","0.0016","18.355","0.002","76.425","0.005","76.377","0.005","87.918","0.005","2511.2","0.4","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H48 B2 Fe2 N26 Ni O0.5 -","- C38.5 H48 B2 Fe2 N26 Ni O0.5 -","- C77 H96 B4 Fe4 N52 Ni2 O -","2","1","","Li, Dongfeng; Clérac, Rodolphe; Parkin, Sean; Wang, Guangbin; Yee, Gordon T.; Holmes, Stephen M.","AnS= 2 Cyanide-Bridged Trinuclear FeIII2NiIISingle-Molecule Magnet","Inorganic Chemistry","2006","45","14","5251","5253","10.1021/ic060379b","","","1.54178","CuKα","","0.1323","0.0905","","","0.2158","0.2453","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332442","8.7275","0.0002","22.6306","0.0006","15.3268","0.0004","90","","105.059","0.001","90","","2923.22","0.13","90","0.2","90","0.2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50 H44 B2 Fe2 N26 Ni O2 -","- C50 H44.002 B2 Fe2 N26 Ni O2.001 -","- C100 H88.004 B4 Fe4 N52 Ni2 O4.002 -","2","0.5","","Li, Dongfeng; Clérac, Rodolphe; Parkin, Sean; Wang, Guangbin; Yee, Gordon T.; Holmes, Stephen M.","AnS= 2 Cyanide-Bridged Trinuclear FeIII2NiIISingle-Molecule Magnet","Inorganic Chemistry","2006","45","14","5251","5253","10.1021/ic060379b","","","1.54178","CuKα","","0.0854","0.0691","","","0.1771","0.1904","","","","","","1.039","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332443","10.503","0.001","10.503","0.001","10.503","0.001","90","","90","","90","","1158.62","0.19","293","","293","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Ag3 Cu P10 Sn -","- Ag3 Cu P10 Sn -","- Ag12 Cu4 P40 Sn4 -","4","0.0416667","","Lange, Stefan; Sebastian, C. Peter; Zhang, Long; Eckert, Hellmut; Nilges, Tom","Ag3SnCuP10: [Ag3Sn] Tetrahedra Embedded between Adamantane-Type [P10] Cages","Inorganic Chemistry","2006","45","15","5878","5885","10.1021/ic060380a","","","0.71073","MoKα","","0.0278","0.0246","","","0.0373","0.0377","","","","1.63","1.63","1.58","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332444","10.252","0.001","10.252","0.001","10.252","0.001","90","","90","","90","","1077.52","0.18","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cu4 P10 Sn -","- Cu4 P10 Sn -","- Cu16 P40 Sn4 -","4","0.0416667","","Lange, Stefan; Sebastian, C. Peter; Zhang, Long; Eckert, Hellmut; Nilges, Tom","Ag3SnCuP10: [Ag3Sn] Tetrahedra Embedded between Adamantane-Type [P10] Cages","Inorganic Chemistry","2006","45","15","5878","5885","10.1021/ic060380a","","","0.71073","MoKα","","0.0227","0.0213","","","0.0408","0.0412","","","","1.39","1.39","1.37","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332445","7.1777","0.0001","10.3363","0.0001","22.9074","0.0003","90","","94.024","0.001","90","","1695.33","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cd2 N20 O12 S4 -","- C20 H16 Cd2 N20 O12 S4 -","- C40 H32 Cd4 N40 O24 S8 -","2","0.5","","Amo-Ochoa, Pilar; Rodríguez-Tapiador, M Isabel; Castillo, Oscar; Olea, David; Guijarro, Alejandro; Alexandre, Simone S.; Gómez-Herrero, Julio; Zamora, Félix","Assembling of Dimeric Entities of Cd(II) with 6-Mercaptopurine to Afford One-Dimensional Coordination Polymers: Synthesis and Scanning Probe Microscopy Characterization","Inorganic Chemistry","2006","45","19","7642","7650","10.1021/ic060384f","","","1.54178","CuKα","","0.0266","0.0243","","","0.0624","0.0638","","","","","","1.023","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332446","13.864","0.002","16.701","0.002","8.278","0.001","90","","104.27","0.01","90","","1857.6","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Ca Cd N8 O6 S2 -","- C10 H16 Ca Cd N8 O6 S2 -","- C40 H64 Ca4 Cd4 N32 O24 S8 -","4","0.5","","Amo-Ochoa, Pilar; Rodríguez-Tapiador, M Isabel; Castillo, Oscar; Olea, David; Guijarro, Alejandro; Alexandre, Simone S.; Gómez-Herrero, Julio; Zamora, Félix","Assembling of Dimeric Entities of Cd(II) with 6-Mercaptopurine to Afford One-Dimensional Coordination Polymers: Synthesis and Scanning Probe Microscopy Characterization","Inorganic Chemistry","2006","45","19","7642","7650","10.1021/ic060384f","","","0.71069","MoKα","","0.0605","0.0289","","","0.0544","0.0596","","","","","","0.855","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332447","7.294","0.002","10.73","0.003","12.796","0.003","110.08","0.02","95.45","0.02","96.82","0.02","924","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cd2 N20 O16 S4 -","- C20 H24 Cd2 N20 O16 S4 -","- C20 H24 Cd2 N20 O16 S4 -","1","0.5","","Amo-Ochoa, Pilar; Rodríguez-Tapiador, M Isabel; Castillo, Oscar; Olea, David; Guijarro, Alejandro; Alexandre, Simone S.; Gómez-Herrero, Julio; Zamora, Félix","Assembling of Dimeric Entities of Cd(II) with 6-Mercaptopurine to Afford One-Dimensional Coordination Polymers: Synthesis and Scanning Probe Microscopy Characterization","Inorganic Chemistry","2006","45","19","7642","7650","10.1021/ic060384f","","","0.71069","MoKα","","0.1243","0.0606","","","0.1344","0.1418","","","","","","0.819","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332448","7.0703","0.0006","9.373","0.001","14.355","0.003","94.016","0.013","102.593","0.011","90.14","0.009","926","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H27 N3 O3 -","- C17 H27 N3 O3 -","- C34 H54 N6 O6 -","2","1","","Binyamin, Iris; Pailloux, Sylvie; Duesler, Eileen N.; Rapko, Brian M.; Paine, Robert T.","Synthesis and Lanthanide Coordination Properties of New 2,6-Bis(N-tert-butylacetamide)pyridine and 2,6-Bis(N-tert-butylacetamide)pyridine-N-oxide Ligands","Inorganic Chemistry","2006","45","15","5886","5892","10.1021/ic060389c","","","0.71073","MoKα","","0.0552","0.0425","","","0.1076","0.1154","","","","","","1.036","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332449","12.206","0.0009","16.4583","0.0013","13.1838","0.0011","90","","90","","90","","2648.5","0.4","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H29 Eu N6 O13 -","- C17 H29 Eu N6 O13 -","- C68 H116 Eu4 N24 O52 -","4","0.5","","Binyamin, Iris; Pailloux, Sylvie; Duesler, Eileen N.; Rapko, Brian M.; Paine, Robert T.","Synthesis and Lanthanide Coordination Properties of New 2,6-Bis(N-tert-butylacetamide)pyridine and 2,6-Bis(N-tert-butylacetamide)pyridine-N-oxide Ligands","Inorganic Chemistry","2006","45","15","5886","5892","10.1021/ic060389c","","","0.71073","MoKα","","0.0312","0.0236","","","0.0574","0.0608","","","","","","1.046","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332450","5.8063","0.0001","10.3867","0.0003","14.8094","0.0004","90","","96.926","0.001","90","","886.61","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Fe3 Na2 O18 P2 -","- C8 H2 Fe3 Na2 O18 P2 -","- C16 H4 Fe6 Na4 O36 P4 -","2","0.5","","Tsao, Chun-Po; Sheu, Chyi-Yang; Nguyen, Ninh; Lii, Kwang-Hwa","Ionothermal Synthesis of Metal Oxalatophosphonates with a Three-Dimensional Framework Structure: Na2M3(C2O4)3(CH3PO3H)2(M = FeIIand MnII)","Inorganic Chemistry","2006","45","16","6361","6364","10.1021/ic0603959","","","0.71073","MoKα","","0.0466","0.031","","","0.08","0.0841","","","","","","0.949","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332451","5.8734","0.0009","10.5573","0.0015","14.863","0.002","90","","96.691","0.002","90","","915.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Mn3 Na2 O18 P2 -","- C8 H2 Mn3 Na2 O18 P2 -","- C16 H4 Mn6 Na4 O36 P4 -","2","0.5","","Tsao, Chun-Po; Sheu, Chyi-Yang; Nguyen, Ninh; Lii, Kwang-Hwa","Ionothermal Synthesis of Metal Oxalatophosphonates with a Three-Dimensional Framework Structure: Na2M3(C2O4)3(CH3PO3H)2(M = FeIIand MnII)","Inorganic Chemistry","2006","45","16","6361","6364","10.1021/ic0603959","","","0.71073","MoKα","","0.0415","0.0322","","","0.0827","0.0848","","","","","","0.994","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332452","11.521","0.002","17.185","0.004","18.164","0.004","114.937","0.012","94.469","0.019","105.15","0.02","3074.1","1.3","156","2","156","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H80 F12 N10 O12 S4 Zn2 -","- C100 H80 F12 N10 O12 S4 Zn2 -","- C100 H80 F12 N10 O12 S4 Zn2 -","1","0.5","","Schmittel, Michael; Kalsani, Venkateshwarlu; Mal, Prasenjit; Bats, Jan W.","The HETTAP Approach: Self-Assembly and Metal Ion Sensing of Dumbbell-Shaped Molecules and Clip Molecules","Inorganic Chemistry","2006","45","16","6370","6377","10.1021/ic060403l","","","0.71073","MoKα","","0.2382","0.1166","","","0.2564","0.293","","","","","","0.988","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332453","11.6946","0.0007","26.3105","0.0015","26.4358","0.0015","94.669","0.001","91.904","0.001","92.969","0.001","8090.4","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H88 Cl2 Li6 Mo2 O18 -","- C79.864 H73.728 Cl2 Li6 Mo2 O18 -","- C319.456 H294.912 Cl8 Li24 Mo8 O72 -","4","2","","Liu, Lihua; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Watson, William H.; Hanna, Tracy A.","Molybdocalixarene Structure Control via Rim Deprotonation. Synthesis, Characterization, and Crystal Structures of Calix[4]arene Mo(VI) Monooxo Complexes and Calix[4]arene Alkali Metal/Mo(VI) Dioxo Complexes","Inorganic Chemistry","2006","45","10","4247","4260","10.1021/ic060404d","","","0.71073","MoKα","","0.1107","0.0782","","","0.1889","0.2038","","","","","","1.055","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332454","12.5343","0.0008","20.9472","0.0014","25.084","0.0017","90","","90","","90","","6586","0.8","147","2","147","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H34 K2 Mo N2 O7 -","- C36 H34 K2 Mo N2 O7 -","- C288 H272 K16 Mo8 N16 O56 -","8","1","","Liu, Lihua; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Watson, William H.; Hanna, Tracy A.","Molybdocalixarene Structure Control via Rim Deprotonation. Synthesis, Characterization, and Crystal Structures of Calix[4]arene Mo(VI) Monooxo Complexes and Calix[4]arene Alkali Metal/Mo(VI) Dioxo Complexes","Inorganic Chemistry","2006","45","10","4247","4260","10.1021/ic060404d","","","0.71073","MoKα","","0.0733","0.052","","","0.1532","0.1658","","","","","","1.138","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332455","12.1548","0.0007","14.1043","0.0008","22.5902","0.0013","95.155","0.001","105.513","0.001","112.438","0.001","3368.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H90 K2 Mo O12 -","- C68 H85 K2 Mo O12 -","- C136 H170 K4 Mo2 O24 -","2","1","","Liu, Lihua; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Watson, William H.; Hanna, Tracy A.","Molybdocalixarene Structure Control via Rim Deprotonation. Synthesis, Characterization, and Crystal Structures of Calix[4]arene Mo(VI) Monooxo Complexes and Calix[4]arene Alkali Metal/Mo(VI) Dioxo Complexes","Inorganic Chemistry","2006","45","10","4247","4260","10.1021/ic060404d","","","0.71073","MoKα","","0.0715","0.0663","","","0.1809","0.1855","","","","","","1.096","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332456","32.783","0.003","32.918","0.003","29.183","0.002","90","","101.314","0.002","90","","30881","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C142 H131 K8 Mo4 N4 O25 -","- C142 H125 K8 Mo4 N15 O23.5 -","- C1136 H1000 K64 Mo32 N120 O188 -","8","1","","Liu, Lihua; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Watson, William H.; Hanna, Tracy A.","Molybdocalixarene Structure Control via Rim Deprotonation. Synthesis, Characterization, and Crystal Structures of Calix[4]arene Mo(VI) Monooxo Complexes and Calix[4]arene Alkali Metal/Mo(VI) Dioxo Complexes","Inorganic Chemistry","2006","45","10","4247","4260","10.1021/ic060404d","","","0.71073","MoKα","","0.1536","0.0727","","","0.1991","0.2608","","","","","","1.065","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332457","15.8192","0.0008","18.9347","0.0009","19.299","0.001","85.264","0.001","73.132","0.001","74.061","0.001","5319.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C113 H138 K3 Mo O15 -","- C113 H131 K3 Mo O15 -","- C226 H262 K6 Mo2 O30 -","2","1","","Liu, Lihua; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Watson, William H.; Hanna, Tracy A.","Molybdocalixarene Structure Control via Rim Deprotonation. Synthesis, Characterization, and Crystal Structures of Calix[4]arene Mo(VI) Monooxo Complexes and Calix[4]arene Alkali Metal/Mo(VI) Dioxo Complexes","Inorganic Chemistry","2006","45","10","4247","4260","10.1021/ic060404d","","","0.71073","MoKα","","0.0916","0.0784","","","0.2259","0.2386","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332458","9.9482","0.0007","17.0987","0.0011","15.8339","0.001","90","","97.704","0.001","90","","2669.1","0.3","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Mo O6 -","- C34 H28 Mo O6 -","- C136 H112 Mo4 O24 -","4","1","","Liu, Lihua; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Watson, William H.; Hanna, Tracy A.","Molybdocalixarene Structure Control via Rim Deprotonation. Synthesis, Characterization, and Crystal Structures of Calix[4]arene Mo(VI) Monooxo Complexes and Calix[4]arene Alkali Metal/Mo(VI) Dioxo Complexes","Inorganic Chemistry","2006","45","10","4247","4260","10.1021/ic060404d","","","0.71073","MoKα","","0.0464","0.0393","","","0.097","0.1006","","","","","","1.082","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332459","12.3203","0.0015","13.7772","0.0017","17.857","0.002","89.568","0.002","71.825","0.002","67.398","0.002","2636.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H70.5 Li2 Mo N3.5 O7 -","- C55 H69 Li2 Mo N3.5 O7 -","- C110 H138 Li4 Mo2 N7 O14 -","2","1","","Liu, Lihua; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Watson, William H.; Hanna, Tracy A.","Molybdocalixarene Structure Control via Rim Deprotonation. Synthesis, Characterization, and Crystal Structures of Calix[4]arene Mo(VI) Monooxo Complexes and Calix[4]arene Alkali Metal/Mo(VI) Dioxo Complexes","Inorganic Chemistry","2006","45","10","4247","4260","10.1021/ic060404d","","","0.71073","MoKα","","0.062","0.0508","","","0.1527","0.1668","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332460","18.0459","0.0011","15.3228","0.0009","19.24","0.0012","90","","115.58","0.001","90","","4798.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H109 Br4 Li4 Mo2 N3 O20 -","- C88 H100 Br4 Li4 Mo2 O20 -","- C176 H200 Br8 Li8 Mo4 O40 -","2","0.5","","Liu, Lihua; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Watson, William H.; Hanna, Tracy A.","Molybdocalixarene Structure Control via Rim Deprotonation. Synthesis, Characterization, and Crystal Structures of Calix[4]arene Mo(VI) Monooxo Complexes and Calix[4]arene Alkali Metal/Mo(VI) Dioxo Complexes","Inorganic Chemistry","2006","45","10","4247","4260","10.1021/ic060404d","","","0.71073","MoKα","","0.0515","0.0418","","","0.118","0.1227","","","","","","1.045","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332461","10.0905","0.0008","21.1785","0.0017","14.1137","0.0011","90","","109.035","0.001","90","","2851.2","0.4","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Mo O7 Rb2 S -","- C30 H26 Mo O7 Rb2 S -","- C120 H104 Mo4 O28 Rb8 S4 -","4","1","","Liu, Lihua; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Watson, William H.; Hanna, Tracy A.","Molybdocalixarene Structure Control via Rim Deprotonation. Synthesis, Characterization, and Crystal Structures of Calix[4]arene Mo(VI) Monooxo Complexes and Calix[4]arene Alkali Metal/Mo(VI) Dioxo Complexes","Inorganic Chemistry","2006","45","10","4247","4260","10.1021/ic060404d","","","0.71073","MoKα","","0.0443","0.0328","","","0.0822","0.0868","","","","","","1.02","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332462","24.3614","0.0006","24.3614","0.0006","19.214","0.0009","90","","90","","90","","11403.1","0.7","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C58 H80 Cs2 Mo O9.5 -","- C58 H76 Cs2 Mo O9.5 -","- C464 H608 Cs16 Mo8 O76 -","8","1","","Liu, Lihua; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Watson, William H.; Hanna, Tracy A.","Molybdocalixarene Structure Control via Rim Deprotonation. Synthesis, Characterization, and Crystal Structures of Calix[4]arene Mo(VI) Monooxo Complexes and Calix[4]arene Alkali Metal/Mo(VI) Dioxo Complexes","Inorganic Chemistry","2006","45","10","4247","4260","10.1021/ic060404d","","","0.71073","MoKα","","0.0528","0.0471","","","0.1002","0.1021","","","","","","1.172","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332463","11.2698","0.0003","11.2698","0.0003","27.7328","0.0007","90","","90","","120","","3050.4","0.14","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C37 H49 B2 Mn2 N7 O10 -","- C37 H43 B2 Mn2 N7 O10 -","- C111 H129 B6 Mn6 N21 O30 -","3","0.5","","Khanra, Sumit; Weyhermüller, Thomas; Bill, Eckhard; Chaudhuri, Phalguni","Deliberate Synthesis for Magnetostructural Study of Linear Tetranuclear Complexes BIIIMnIIMnIIBIII, MnIIIMnIIMnIIMnIII, MnIVMnIIMnIIMnIV, FeIIIMnIIMnIIFeIII, and CrIIIMnIIMnIICrIII. Influence of Terminal Ions on the Exchange Coupling","Inorganic Chemistry","2006","45","15","5911","5923","10.1021/ic060409a","","","0.71073","MoKα","","0.042","0.0379","","0.113","0.098","","","","1.107","1.116","1.116","","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332464","16.485","0.002","14.494","0.002","24.365","0.003","90","","90.26","0.02","90","","5821.6","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Cl Mn4 N13 O14 -","- C48 H63 Cl Mn4 N13 O14 -","- C192 H252 Cl4 Mn16 N52 O56 -","4","1","","Khanra, Sumit; Weyhermüller, Thomas; Bill, Eckhard; Chaudhuri, Phalguni","Deliberate Synthesis for Magnetostructural Study of Linear Tetranuclear Complexes BIIIMnIIMnIIBIII, MnIIIMnIIMnIIMnIII, MnIVMnIIMnIIMnIV, FeIIIMnIIMnIIFeIII, and CrIIIMnIIMnIICrIII. Influence of Terminal Ions on the Exchange Coupling","Inorganic Chemistry","2006","45","15","5911","5923","10.1021/ic060409a","","","0.71073","MoKα","","0.143","0.1044","","","0.1595","0.1737","","","","","","1.216","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332465","17.026","0.0004","18.2672","0.0004","23.5979","0.0006","101.44","0.01","108.57","0.01","105.65","0.01","6366.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H67.5 Cl3 Mn4 N12.5 O22.5 -","- C46 H64.5 Cl3 Mn4 N12.5 O22.5 -","- C184 H258 Cl12 Mn16 N50 O90 -","4","2","","Khanra, Sumit; Weyhermüller, Thomas; Bill, Eckhard; Chaudhuri, Phalguni","Deliberate Synthesis for Magnetostructural Study of Linear Tetranuclear Complexes BIIIMnIIMnIIBIII, MnIIIMnIIMnIIMnIII, MnIVMnIIMnIIMnIV, FeIIIMnIIMnIIFeIII, and CrIIIMnIIMnIICrIII. Influence of Terminal Ions on the Exchange Coupling","Inorganic Chemistry","2006","45","15","5911","5923","10.1021/ic060409a","","","0.71073","MoKα","","0.1075","0.0756","","","0.1929","0.2143","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332466","14.4112","0.0004","16.6991","0.0006","25.0197","0.0008","90","","104.819","0.004","90","","5820.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47.5 H67 Cl2 Fe2 Mn2 N13 O13 -","- C47.5 H64 Cl2 Fe2 Mn2 N13 O13 -","- C190 H256 Cl8 Fe8 Mn8 N52 O52 -","4","1","","Khanra, Sumit; Weyhermüller, Thomas; Bill, Eckhard; Chaudhuri, Phalguni","Deliberate Synthesis for Magnetostructural Study of Linear Tetranuclear Complexes BIIIMnIIMnIIBIII, MnIIIMnIIMnIIMnIII, MnIVMnIIMnIIMnIV, FeIIIMnIIMnIIFeIII, and CrIIIMnIIMnIICrIII. Influence of Terminal Ions on the Exchange Coupling","Inorganic Chemistry","2006","45","15","5911","5923","10.1021/ic060409a","","","0.71073","MoKα","","0.0856","0.0527","","0.1494","0.1263","","","","1.012","1.076","1.076","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332467","6.7992","0.0008","9.691","0.001","9.166","0.001","95.505","0.002","93.929","0.002","104.507","0.002","579.31","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","{2-[1.3-di-tert-butyl-4-(2-dimethylaminoethylselanyl) -2,4-dioxo-2λ^5^,4λ^5^-[1,2,3,4]diazphosphetidin-2- ylselanyl]ethyl}dimethylamine","","- C16 H38 N4 O2 P2 Se2 -","- C16 H38 N4 O2 P2 Se2 -","- C16 H38 N4 O2 P2 Se2 -","1","0.5","","Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.","Intramolecular Amine-Induced [1,3]-Sigmatropic Rearrangement in the Reactions of Aminophosphinites or Phosphites with Elemental Sulfur or Selenium","Inorganic Chemistry","2006","45","15","5893","5897","10.1021/ic060413m","","","0.71073","MoKα","","0.0268","0.0249","","","0.062","0.063","","","","","","1.081","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332468","14.9585","0.0006","14.9585","0.0006","28.5391","0.0014","90","","90","","90","","6385.8","0.5","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C48 H60 F6 I6 N4 Nd O2 S2 -","- C38 F6 I6 N5 Nd O4 S2 -","- C152 F24 I24 N20 Nd4 O16 S8 -","4","0.25","","Babai, Arash; Mudring, Anja-Verena","Crystal Engineering in Ionic Liquids. The Crystal Structures of [Mppyr]3[NdI6] and [Bmpyr]4[NdI6][Tf2N]","Inorganic Chemistry","2006","45","13","4874","4876","10.1021/ic060414e","","","0.71073","MoKα","","0.0646","0.0439","","","0.1228","0.1312","","","","","","0.953","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332469","18.881","0.0008","18.881","0.0008","21.9839","0.001","90","","90","","90","","7837.1","0.6","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H54 I6 N3 Nd -","- C24 H54 I6 N3 Nd -","- C192 H432 I48 N24 Nd8 -","8","1","","Babai, Arash; Mudring, Anja-Verena","Crystal Engineering in Ionic Liquids. The Crystal Structures of [Mppyr]3[NdI6] and [Bmpyr]4[NdI6][Tf2N]","Inorganic Chemistry","2006","45","13","4874","4876","10.1021/ic060414e","","","0.71073","MoKα","","0.0654","0.0463","","","0.1051","0.1136","","","","","","0.963","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332470","10.8007","0.0011","14.6681","0.0015","14.9851","0.0015","117.4","0.001","97.671","0.002","96.071","0.002","2050.8","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H70 Fe8 N10 O9 P4 S6 -","- C76 H70 Fe8 N10 O9 P4 S6 -","- C76 H70 Fe8 N10 O9 P4 S6 -","1","0.5","","Kalyvas, Harris; Coucouvanis, Dimitri","Synthesis and Reactivity of a New Octanuclear Iron−Sulfur Nitrosyl Cluster","Inorganic Chemistry","2006","45","21","8462","8464","10.1021/ic060417r","","","0.71073","MoKα","","0.0382","0.0314","","","0.0877","0.0922","","","","","","1.025","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332471","13.051","0.0014","13.3561","0.0014","13.3741","0.0014","118.473","0.002","91.213","0.002","95.004","0.002","2036.2","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H74 Fe6 N10 O8 P4 S6 -","- C78 H74 Fe6 N10 O8 P4 S6 -","- C78 H74 Fe6 N10 O8 P4 S6 -","1","0.5","","Kalyvas, Harris; Coucouvanis, Dimitri","Synthesis and Reactivity of a New Octanuclear Iron−Sulfur Nitrosyl Cluster","Inorganic Chemistry","2006","45","21","8462","8464","10.1021/ic060417r","","","0.71073","MoKα","","0.0384","0.0284","","","0.0716","0.0771","","","","","","1.022","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332472","12.121","","15.585","","22.218","","88.52","","85.21","","68.15","","3881.93","","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H91 Fe8 K4 N21 O21 S6 -","- C39 H91 Fe8 K4 N21 O21 S6 -","- C78 H182 Fe16 K8 N42 O42 S12 -","2","1","","Kalyvas, Harris; Coucouvanis, Dimitri","Synthesis and Reactivity of a New Octanuclear Iron−Sulfur Nitrosyl Cluster","Inorganic Chemistry","2006","45","21","8462","8464","10.1021/ic060417r","","x-ray","0.71073","MoKα","","0.0917","0.0546","","","0.1726","0.2008","","","","","","1.027","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332473","10.415","0.001","17.291","0.001","25.573","0.002","90","","100.64","0.01","90","","4526.2","0.6","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis[(1,4,7,10,13,16-Hexaoxacyclooctadecan)Rubidium] Tetradekaarsenide-Ammonia(1/6)","","- C48 H114 As14 N6 O24 Rb4 -","- C48 H114 As14 N6 O24 Rb4 -","- C96 H228 As28 N12 O48 Rb8 -","2","0.5","","Hanauer, Tobias; Aschenbrenner, Jürgen C.; Korber, Nikolaus","Dimers of Heptapnictide Anions: As144-and P144-in the Crystal Structures of [Rb(18-crown-6)]4As14·6NH3and [Li(NH3)4]4P14·NH3","Inorganic Chemistry","2006","45","17","6723","6727","10.1021/ic060418j","","","0.71073","MoKα","","0.0541","0.0284","","","0.0529","0.0564","","","","","","0.806","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332474","9.283","0.003","9.508","0.003","13.466","0.004","99.24","0.03","91.66","0.03","118.45","0.03","1023.8","0.6","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(Tetraamminelithium)Tetradekaphosphide-Ammonia(1/1)","","- H54 Li4 N18 P14 -","- H54 Li4 N18 P14 -","- H54 Li4 N18 P14 -","1","0.5","","Hanauer, Tobias; Aschenbrenner, Jürgen C.; Korber, Nikolaus","Dimers of Heptapnictide Anions: As144-and P144-in the Crystal Structures of [Rb(18-crown-6)]4As14·6NH3and [Li(NH3)4]4P14·NH3","Inorganic Chemistry","2006","45","17","6723","6727","10.1021/ic060418j","","","0.71073","MoKα","","0.0568","0.0409","","","0.1006","0.105","","","","","","0.934","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332475","11.1806","0.0006","19.2756","0.0011","18.5823","0.0012","90","","96.691","0.002","90","","3977.4","0.4","298","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 Br10 N6 Re3 S4 -","- C18 H33 Br10 N6 Re3 S4 -","- C72 H132 Br40 N24 Re12 S16 -","4","1","","Sakamoto, Hideshi; Watanabe, Yusuke; Saito, Taro","Synthesis of Im3[Re3(μ3-S)(μ-S)3Br9]Br (Im = 1-Ethyl-3-methylimidazolium) by Means of an Ionic Liquid","Inorganic Chemistry","2006","45","12","4578","4579","10.1021/ic060428k","","","0.71073","MoKα","","0.0422","0.0308","","","0.0689","0.0729","","","","","","1.007","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332476","8.853","0.001","9.056","0.001","14.884","0.002","90","","104.67","0.02","90","","1154.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Mn0.5 N7 -","- C8 H12 Mn0.5 N7 -","- C32 H48 Mn2 N28 -","4","1","","Choi, Da Hye; Yoon, Jung Hee; Lim, Jeong Hak; Kim, Hyoung Chan; Hong, Chang Seop","Methylpyrazole-Capped Two-Dimensional Supramolecular M(II) (M = Mn, Ni, Co) Assemblies Constructed by Covalent and Noncovalent Interactions: Uncommon Coordination Modes of Methylpyrazoles and Magnetic Properties","Inorganic Chemistry","2006","45","15","5947","5952","10.1021/ic060429c","","","0.71073","MoKα","","0.0551","0.0369","","","0.0922","0.1026","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332477","9.034","0.0017","9.0935","0.0007","14.314","0.003","90","","107.954","0.017","90","","1118.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N7 Ni0.5 -","- C8 H12 N7 Ni0.5 -","- C32 H48 N28 Ni2 -","4","1","","Choi, Da Hye; Yoon, Jung Hee; Lim, Jeong Hak; Kim, Hyoung Chan; Hong, Chang Seop","Methylpyrazole-Capped Two-Dimensional Supramolecular M(II) (M = Mn, Ni, Co) Assemblies Constructed by Covalent and Noncovalent Interactions: Uncommon Coordination Modes of Methylpyrazoles and Magnetic Properties","Inorganic Chemistry","2006","45","15","5947","5952","10.1021/ic060429c","","","0.71073","MoKα","","0.0568","0.0551","","","0.1595","0.1626","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332478","11.4804","0.0002","13.3369","0.0002","16.8693","0.0003","90","","94.593","0.001","90","","2574.61","0.07","130","","130","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Co0.5 N4 O2 -","- C12 H14 Co0.5 N4 O2 -","- C96 H112 Co4 N32 O16 -","8","1","","Choi, Da Hye; Yoon, Jung Hee; Lim, Jeong Hak; Kim, Hyoung Chan; Hong, Chang Seop","Methylpyrazole-Capped Two-Dimensional Supramolecular M(II) (M = Mn, Ni, Co) Assemblies Constructed by Covalent and Noncovalent Interactions: Uncommon Coordination Modes of Methylpyrazoles and Magnetic Properties","Inorganic Chemistry","2006","45","15","5947","5952","10.1021/ic060429c","","","0.71073","MoKα","","0.0575","0.0452","","","0.1153","0.1223","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332479","8.0761","0.0009","10.2724","0.0011","10.4169","0.0011","109.632","0.002","92.343","0.002","113.044","0.002","734.04","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- Cs4 F6 Li2 Mo6 O24 -","- Cs4 F6 Li2 Mo6 O24 -","- Cs4 F6 Li2 Mo6 O24 -","1","0.5","","Michailovski, Alexej; Rüegger, Heinz; Sheptyakov, Denis; Patzke, Greta R.","Synthesis and Characterization of Novel Fluorinated Poly(oxomolybdates)","Inorganic Chemistry","2006","45","14","5641","5652","10.1021/ic0604359","","","0.71073","MoKα","","0.0468","0.035","","","0.0754","0.0769","","","","","","0.82","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332480","10.3151","0.0009","9.909","0.0009","15.7018","0.0015","90","","106.587","0.003","90","","1538.1","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cs4 F6 Mo6 Na2 O24 -","- Cs4 F6 Mo6 Na2 O24 -","- Cs8 F12 Mo12 Na4 O48 -","2","0.5","","Michailovski, Alexej; Rüegger, Heinz; Sheptyakov, Denis; Patzke, Greta R.","Synthesis and Characterization of Novel Fluorinated Poly(oxomolybdates)","Inorganic Chemistry","2006","45","14","5641","5652","10.1021/ic0604359","","","0.71073","MoKα","","0.0373","0.0229","","","0.0457","0.047","","","","","","0.874","","","","has coordinates","286259","2023-09-07","06:04:45",""
"4332481","8.1659","0.0009","11.8649","0.0013","11.9329","0.0013","108.354","0.003","97.719","0.003","109.636","0.003","995.54","0.19","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H12 F3 Mo3.11 N Na1.85 O14 -","- C4 H12 F3 Mo3.1047 N Na1.8473 O14 -","- C8 H24 F6 Mo6.2094 N2 Na3.6946 O28 -","2","1","","Michailovski, Alexej; Rüegger, Heinz; Sheptyakov, Denis; Patzke, Greta R.","Synthesis and Characterization of Novel Fluorinated Poly(oxomolybdates)","Inorganic Chemistry","2006","45","14","5641","5652","10.1021/ic0604359","","","0.71073","MoKα","","0.0549","0.0349","","","0.0813","0.0875","","","","","","1.027","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332482","11.7628","0.0011","11.8564","0.0011","17.0575","0.0016","108.66","0.003","93.991","0.003","106.434","0.003","2128","0.4","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H36 F3 Mo7 N3 Na2 O28 -","- C12 H36 F3 Mo7 N3 Na2 O28 -","- C24 H72 F6 Mo14 N6 Na4 O56 -","2","1","","Michailovski, Alexej; Rüegger, Heinz; Sheptyakov, Denis; Patzke, Greta R.","Synthesis and Characterization of Novel Fluorinated Poly(oxomolybdates)","Inorganic Chemistry","2006","45","14","5641","5652","10.1021/ic0604359","","","0.71073","MoKα","","0.0856","0.0425","","","0.0808","0.0945","","","","","","0.997","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332483","19.141","0.005","13.982","0.003","32.214","0.008","90","","99.474","0.005","90","","8504","4","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H72 F6 Mo14 N6 Na4 O56 -","- C24 H72 F6 Mo14 N6 Na4 O56 -","- C96 H288 F24 Mo56 N24 Na16 O224 -","4","0.5","","Michailovski, Alexej; Rüegger, Heinz; Sheptyakov, Denis; Patzke, Greta R.","Synthesis and Characterization of Novel Fluorinated Poly(oxomolybdates)","Inorganic Chemistry","2006","45","14","5641","5652","10.1021/ic0604359","","","0.71073","MoKα","","0.0535","0.0364","","","0.0847","0.0901","","","","","","1.048","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332484","18.063","0.002","18.063","0.002","18.063","0.002","90","","90","","90","","5893.5","1.1","250","2","110","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","Compound1","","","- Co2 Cs Er13 I24 -","- Co2 Cs Er13 I24 -","- Co8 Cs4 Er52 I96 -","4","0.166667","","Sweet, Lucas E.; Hughbanks, Timothy","CsR(R6CoI12)2(R = Gd, Er) and (CeI)0.26(Ce6MnI9)2: Two New Structure Types Featuring R6Z Clusters","Inorganic Chemistry","2006","45","24","9696","9702","10.1021/ic060439d","","","0.71073","MoKα","","0.0701","0.0459","","","0.0932","0.1019","","","","","","1.116","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332485","11.6954","0.0013","11.6954","0.0013","10.8591","0.0016","90","","90","","120","","1286.3","0.3","110","2","110","2","","","","","","","","3","P -3","-P 3","147","Compound1","","","- Ce6.12 I9.12 Mn -","- Ce6.129 I9.13 Mn -","- Ce12.258 I18.26 Mn2 -","2","0.333333","","Sweet, Lucas E.; Hughbanks, Timothy","CsR(R6CoI12)2(R = Gd, Er) and (CeI)0.26(Ce6MnI9)2: Two New Structure Types Featuring R6Z Clusters","Inorganic Chemistry","2006","45","24","9696","9702","10.1021/ic060439d","","","0.71073","MoKα","","0.1239","0.0895","","","0.1868","0.2032","","","","","","1.096","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332486","10.604","0.002","24.081","0.005","11.473","0.002","90","","109.097","0.003","90","","2768.5","0.9","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Mo2 N12 O -","- C24 H40 Mo2 N12 O -","- C96 H160 Mo8 N48 O4 -","4","1","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates","Inorganic Chemistry","2006","45","14","5493","5500","10.1021/ic060449e","","","0.71073","MoKα","","0.0375","0.0271","","","0.0653","0.0715","","","","","","1.074","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332487","7.3241","0.0013","8.3338","0.0015","10.6408","0.0019","105.957","0.003","105.308","0.003","98.391","0.003","585.35","0.18","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H32 Mo2 N12 -","- C20 H32 Mo2 N12 -","- C20 H32 Mo2 N12 -","1","0.5","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates","Inorganic Chemistry","2006","45","14","5493","5500","10.1021/ic060449e","","","0.71073","MoKα","","0.0365","0.0306","","","0.0687","0.0709","","","","","","1.033","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332488","15.636","0.005","8.318","0.003","19.924","0.006","90","","102.311","0.005","90","","2531.7","1.4","213","2","213","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H32 Cl Mo2 N12 -","- C20 H32 Cl Mo2 N12 -","- C80 H128 Cl4 Mo8 N48 -","4","0.5","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates","Inorganic Chemistry","2006","45","14","5493","5500","10.1021/ic060449e","","","0.71073","MoKα","","0.0418","0.032","","","0.08","0.0862","","","","","","1.096","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332489","8.088","0.002","8.858","0.002","11.076","0.003","74.167","0.004","70.104","0.004","72.188","0.004","697.7","0.3","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 Mo2 N12 -","- C24 H40 Mo2 N12 -","- C24 H40 Mo2 N12 -","1","0.5","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates","Inorganic Chemistry","2006","45","14","5493","5500","10.1021/ic060449e","","","0.71073","MoKα","","0.0423","0.0377","","","0.0956","0.0981","","","","","","1.039","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332490","9.592","0.004","9.592","0.004","15.475","0.011","90","","90","","90","","1423.8","1.3","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","Mo2(tbn)4Cl2","","","- C24 H40 Cl2 Mo2 N12 -","- C24 H40 Cl2 Mo2 N12 -","- C48 H80 Cl4 Mo4 N24 -","2","0.125","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates","Inorganic Chemistry","2006","45","14","5493","5500","10.1021/ic060449e","","","0.71073","MoKα","","0.0844","0.0619","","","0.1502","0.1595","","","","","","1.147","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332491","8.4932","0.0019","10.113","0.002","11.014","0.003","99.517","0.004","106.371","0.004","92.737","0.004","890.7","0.4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H44 Cl6 Mo2 N12 -","- C26 H44 Cl6 Mo2 N12 -","- C26 H44 Cl6 Mo2 N12 -","1","0.5","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates","Inorganic Chemistry","2006","45","14","5493","5500","10.1021/ic060449e","","","0.71073","MoKα","","0.0537","0.0404","","","0.0929","0.1004","","","","","","1.044","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332492","9.6019","0.0017","10.0355","0.0018","13.051","0.002","102.568","0.003","97.518","0.003","116.077","0.003","1065.1","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H43 Cl11 Mo2 N12 -","- C27 H42 Cl11 Mo2 N12 -","- C27 H42 Cl11 Mo2 N12 -","1","0.5","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates","Inorganic Chemistry","2006","45","14","5493","5500","10.1021/ic060449e","","","0.71073","MoKα","","0.0789","0.0652","","","0.1821","0.1937","","","","","","1.082","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332493","6.3","0.003","9.491","0.0016","12.321","0.004","90","","94.71","0.03","90","","734.2","0.4","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 N3 S -","- C5 H11 N3 S -","- C20 H44 N12 S4 -","4","1","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates","Inorganic Chemistry","2006","45","14","5493","5500","10.1021/ic060449e","","","0.71073","MoKα","","0.0572","0.0482","","","0.1182","0.1256","","","","","","1.119","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332494","7.067","0.003","10.294","0.004","7.596","0.003","90","","101.075","0.006","90","","542.3","0.4","213","2","213","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N3 -","- C5 H9 N3 -","- C20 H36 N12 -","4","1","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates","Inorganic Chemistry","2006","45","14","5493","5500","10.1021/ic060449e","","","0.71073","MoKα","","0.0558","0.0497","","","0.1286","0.1356","","","","","","1.058","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332495","18.67","0.007","7.6","0.003","10.008","0.003","90","","103.192","0.007","90","","1382.6","0.9","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N3 -","- C6 H11 N3 -","- C48 H88 N24 -","8","1","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates","Inorganic Chemistry","2006","45","14","5493","5500","10.1021/ic060449e","","","0.71073","MoKα","","0.0874","0.0625","","","0.1623","0.1863","","","","","","1.047","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332496","7.24","0.002","8.252","0.003","8.35","0.003","110.375","0.005","106.701","0.005","96.033","0.005","436.1","0.3","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H13 N3 O3 -","- C7 H13 N3 O3 -","- C14 H26 N6 O6 -","2","1","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates","Inorganic Chemistry","2006","45","14","5493","5500","10.1021/ic060449e","","","0.71073","MoKα","","0.0492","0.0454","","","0.1242","0.1282","","","","","","1.134","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332497","14.3106","0.0015","6.9974","0.0013","11.499","0.0008","90","","90","","90","","1151.5","0.3","293","","293","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H4 Co N2 O10 V4 -","- C4 H4 Co N2 O10 V4 -","- C16 H16 Co4 N8 O40 V16 -","4","0.25","","Yan, Bangbo; Luo, Junhua; Dube, Paul; Sefat, Athena S.; Greedan, John E.; Maggard, Paul A.","Spin-Gap Formation and Thermal Structural Studies in Reduced Hybrid Layered Vanadates","Inorganic Chemistry","2006","45","13","5109","5118","10.1021/ic0604563","","","0.71073","MolybdenumKα","","0.023","0.019","","0.027","0.027","","","","","1.81","1.81","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332498","14.2372","0.0004","6.9008","0.0002","11.5102","0.0003","90","","90","","90","","1130.85","0.05","273","2","273","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H4 N2 Ni O10 V4 -","- C4 H4 N2 Ni O10 V4 -","- C16 H16 N8 Ni4 O40 V16 -","4","0.25","","Yan, Bangbo; Luo, Junhua; Dube, Paul; Sefat, Athena S.; Greedan, John E.; Maggard, Paul A.","Spin-Gap Formation and Thermal Structural Studies in Reduced Hybrid Layered Vanadates","Inorganic Chemistry","2006","45","13","5109","5118","10.1021/ic0604563","","","0.71073","MoKα","","0.0245","0.0206","","","0.0596","0.0611","","","","","","1.045","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332499","14.4248","0.0013","6.9702","0.0006","11.4792","0.001","90","","90","","90","","1154.16","0.18","223","","223","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H4 N2 O10 V4 Zn -","- C4 H4 N2 O10 V4 Zn -","- C16 H16 N8 O40 V16 Zn4 -","4","0.25","","Yan, Bangbo; Luo, Junhua; Dube, Paul; Sefat, Athena S.; Greedan, John E.; Maggard, Paul A.","Spin-Gap Formation and Thermal Structural Studies in Reduced Hybrid Layered Vanadates","Inorganic Chemistry","2006","45","13","5109","5118","10.1021/ic0604563","","","0.71073","MolybdenumKα","","0.039","0.036","","0.056","0.056","","","","","1.88","1.88","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332500","11.2991","0.0003","11.5788","0.0003","11.6144","0.0004","86.307","0.001","85.587","0.001","70.603","0.002","1427.8","0.07","150","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H44 B Li N6 O -","- C25 H44 B Li N6 O -","- C50 H88 B2 Li2 N12 O2 -","2","1","","Graziani, Olivier; Hamon, Paul; Thépot, Jean-Yves; Toupet, Loïc; Szilágyi, Petra Á.; Molnár, Gábor; Bousseksou, Azzedine; Tilset, Mats; Hamon, Jean-René","Noveltert-Butyl-tris(3-hydrocarbylpyrazol-1-yl)borate Ligands: Synthesis, Spectroscopic Studies, and Coordination Chemistry#","Inorganic Chemistry","2006","45","14","5661","5674","10.1021/ic060458n","","","0.71069","MoKα","","0.0848","0.0499","","","0.1251","0.1466","","","","","","1.005","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332501","11.6712","0.0002","21.5213","0.0003","14.5322","0.0002","90","","100.309","0.0005","90","","3591.27","0.09","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 B2 Cl2 F6 Fe N12 P -","- C27 H38 B2 Cl2 F6 Fe N12 P -","- C108 H152 B8 Cl8 F24 Fe4 N48 P4 -","4","1","","Graziani, Olivier; Hamon, Paul; Thépot, Jean-Yves; Toupet, Loïc; Szilágyi, Petra Á.; Molnár, Gábor; Bousseksou, Azzedine; Tilset, Mats; Hamon, Jean-René","Noveltert-Butyl-tris(3-hydrocarbylpyrazol-1-yl)borate Ligands: Synthesis, Spectroscopic Studies, and Coordination Chemistry#","Inorganic Chemistry","2006","45","14","5661","5674","10.1021/ic060458n","","","0.71069","MoKα","","0.0886","0.0508","","","0.1235","0.1434","","","","","","1.03","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332502","10.0554","0.0001","18.623","0.0003","20.5137","0.0003","90","","90","","90","","3841.43","0.09","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C16 H24 B F3 Fe0.5 N6 P0.5 -","- C16 H24 B F3 Fe0.5 N6 P0.5 -","- C128 H192 B8 F24 Fe4 N48 P4 -","8","1","","Graziani, Olivier; Hamon, Paul; Thépot, Jean-Yves; Toupet, Loïc; Szilágyi, Petra Á.; Molnár, Gábor; Bousseksou, Azzedine; Tilset, Mats; Hamon, Jean-René","Noveltert-Butyl-tris(3-hydrocarbylpyrazol-1-yl)borate Ligands: Synthesis, Spectroscopic Studies, and Coordination Chemistry#","Inorganic Chemistry","2006","45","14","5661","5674","10.1021/ic060458n","","","0.71069","MoKα","","0.0751","0.0549","","","0.1629","0.1828","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332503","15.279","0.004","20.027","0.005","24.285","0.006","90","","90","","90","","7431","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H68 Fe Mn3 N12 O10 -","- C66 H68 Fe Mn3 N12 O10 -","- C264 H272 Fe4 Mn12 N48 O40 -","4","1","","Wen, He-Rui; Wang, Cai-Feng; Li, Yi-Zhi; Zuo, Jing-Lin; Song, You; You, Xiao-Zeng","Chiral Molecule-Based Ferrimagnets with Helical Structures","Inorganic Chemistry","2006","45","18","7032","7034","10.1021/ic060462z","","","0.71073","MoKα","","0.0842","0.0625","","","0.1247","0.1303","","","","","","1.004","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332504","13.478","0.001","18.104","0.001","15.015","0.01","90","","108.495","0.001","90","","3475","2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","catena-[(μ-diiodo(acetonitrile)dicopper(I))(μ-1,3- di-tert-butyl-2,4-bis(2-methoxyphenoxy)-[1,3,2,4]- diazadiphosphetidine)]","","- C26 H38 Cu2 I2 N4 O4 P2 -","- C26 H38 Cu2 I2 N4 O4 P2 -","- C104 H152 Cu8 I8 N16 O16 P8 -","4","1","","Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.","Copper(I) Coordination Polymers [{Cu(μ-X)}2{RP(μ-NtBu)}2]n(R = OC6H4OMe-o; X = Cl, Br, and I) and Their Reversible Conversion into Mononuclear Complexes [CuX{(RP(μ-NtBu))2}2]: Synthesis and Structural Characterization","Inorganic Chemistry","2006","45","17","6678","6683","10.1021/ic060464j","","","0.71073","MoKα","","0.0321","0.0311","","","0.0745","0.0752","","","","","","1.037","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332505","10.3726","0.0008","12.273","0.001","15.498","0.001","68.301","0.001","85.14","0.001","77.526","0.001","1789.8","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","catena-[μ-dichloro-μ-(1,3-di-tert-butyl-2,4- bis(2-methoxyphenoxy)-[1,3,2,4]-diazadiphosphetidine) (dimethysulfoxide)dicopper(I)] dimethylsulfoxide solvate","","- C26 H44 Cl2 Cu2 N2 O6 P2 S2 -","- C26 H44 Cl2 Cu2 N2 O6 P2 S2 -","- C52 H88 Cl4 Cu4 N4 O12 P4 S4 -","2","1","","Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.","Copper(I) Coordination Polymers [{Cu(μ-X)}2{RP(μ-NtBu)}2]n(R = OC6H4OMe-o; X = Cl, Br, and I) and Their Reversible Conversion into Mononuclear Complexes [CuX{(RP(μ-NtBu))2}2]: Synthesis and Structural Characterization","Inorganic Chemistry","2006","45","17","6678","6683","10.1021/ic060464j","","","0.71073","MoKα","","0.0339","0.0307","","","0.0818","0.084","","","","","","1.051","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332506","9.5024","0.0007","18.733","0.001","14.092","0.001","90","","96.217","0.001","90","","2493.7","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Chlorobis(1,3-di-tert-butyl-2,4-bis(2-methoxyphenoxy) -[1,3,2,4]-diazadiphosphetidine)copper(I)","","- C44 H64 Cl Cu N4 O8 P4 -","- C44 H64 Cl Cu N4 O8 P4 -","- C88 H128 Cl2 Cu2 N8 O16 P8 -","2","1","","Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.","Copper(I) Coordination Polymers [{Cu(μ-X)}2{RP(μ-NtBu)}2]n(R = OC6H4OMe-o; X = Cl, Br, and I) and Their Reversible Conversion into Mononuclear Complexes [CuX{(RP(μ-NtBu))2}2]: Synthesis and Structural Characterization","Inorganic Chemistry","2006","45","17","6678","6683","10.1021/ic060464j","","","0.71073","MoKα","","0.0393","0.0351","","","0.0774","0.0793","","","","","","0.999","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332507","9.607","0.001","18.694","0.002","14.084","0.002","90","","96.547","0.002","90","","2512.9","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Bromobis(1,3-di-tert-butyl-2,4-bis(2-methoxyphenoxy) -[1,3,2,4]-diazadiphosphetidine)copper(I)","","- C44 H64 Br Cu N4 O8 P4 -","- C44 H64 Br Cu N4 O8 P4 -","- C88 H128 Br2 Cu2 N8 O16 P8 -","2","1","","Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.","Copper(I) Coordination Polymers [{Cu(μ-X)}2{RP(μ-NtBu)}2]n(R = OC6H4OMe-o; X = Cl, Br, and I) and Their Reversible Conversion into Mononuclear Complexes [CuX{(RP(μ-NtBu))2}2]: Synthesis and Structural Characterization","Inorganic Chemistry","2006","45","17","6678","6683","10.1021/ic060464j","","","0.71073","MoKα","","0.0499","0.0418","","","0.0811","0.0844","","","","","","0.979","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332508","23.563","0.005","18.323","0.004","17.636","0.004","90","","107.07","0.03","90","","7279","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 B10 N Ti -","- C19 H33 B10 N Ti -","- C228 H396 B120 N12 Ti12 -","12","3","","Wang, Hong; Wang, Yaorong; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, Reactivity, and Thermal Stability of [η5:σ-Me2C(C5H4)(C2B10H10)]Ti(R)(NMe2)","Inorganic Chemistry","2006","45","14","5675","5683","10.1021/ic0604664","","","0.71073","MoKα","","0.0944","0.0519","","","0.1375","0.1645","","","","","","1.06","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332509","20.823","0.003","11.9792","0.0016","21.382","0.003","90","","119.138","0.002","90","","4658.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H64 B20 N2 Ti2 -","- C37 H64 B20 N2 Ti2 -","- C148 H256 B80 N8 Ti8 -","4","1","","Wang, Hong; Wang, Yaorong; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, Reactivity, and Thermal Stability of [η5:σ-Me2C(C5H4)(C2B10H10)]Ti(R)(NMe2)","Inorganic Chemistry","2006","45","14","5675","5683","10.1021/ic0604664","","","0.71073","MoKα","","0.2304","0.071","","","0.1524","0.203","","","","","","0.871","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332510","16.8623","0.0011","18.2661","0.0012","15.4367","0.001","90","","98.658","0.002","90","","4700.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H67 B20 N2 O2 Ti2 -","- C32 H58 B20 N2 O2 Ti2 -","- C128 H232 B80 N8 O8 Ti8 -","4","0.5","","Wang, Hong; Wang, Yaorong; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, Reactivity, and Thermal Stability of [η5:σ-Me2C(C5H4)(C2B10H10)]Ti(R)(NMe2)","Inorganic Chemistry","2006","45","14","5675","5683","10.1021/ic0604664","","","0.71073","MoKα","","0.1132","0.0866","","","0.2489","0.2884","","","","","","1.012","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332511","14.3143","0.0008","12.6674","0.0008","14.9369","0.0009","90","","111.578","0.001","90","","2518.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 B10 Cl N2 O Ti -","- C19 H31 B10 Cl N2 O Ti -","- C76 H124 B40 Cl4 N8 O4 Ti4 -","4","1","","Wang, Hong; Wang, Yaorong; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, Reactivity, and Thermal Stability of [η5:σ-Me2C(C5H4)(C2B10H10)]Ti(R)(NMe2)","Inorganic Chemistry","2006","45","14","5675","5683","10.1021/ic0604664","","","0.71073","MoKα","","0.0814","0.0671","","","0.1583","0.1737","","","","","","1.002","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332512","14.1665","0.0009","13.8008","0.0008","13.7473","0.0009","90","","96.062","0.002","90","","2672.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H35 B10 Cl N2 Ti -","- C21 H35 B10 Cl N2 Ti -","- C84 H140 B40 Cl4 N8 Ti4 -","4","1","","Wang, Hong; Wang, Yaorong; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, Reactivity, and Thermal Stability of [η5:σ-Me2C(C5H4)(C2B10H10)]Ti(R)(NMe2)","Inorganic Chemistry","2006","45","14","5675","5683","10.1021/ic0604664","","","0.71073","MoKα","","0.203","0.0668","","","0.1419","0.1977","","","","","","0.933","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332513","15.4358","0.0011","16.3485","0.0012","21.8045","0.0016","92.254","0.002","108.672","0.002","98.419","0.002","5134.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25.66667 H51.33333 B10 N2 Si Ti -","- C25.6667 H51.3333 B10 N2 Si Ti -","- C154 H308 B60 N12 Si6 Ti6 -","6","3","","Wang, Hong; Wang, Yaorong; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, Reactivity, and Thermal Stability of [η5:σ-Me2C(C5H4)(C2B10H10)]Ti(R)(NMe2)","Inorganic Chemistry","2006","45","14","5675","5683","10.1021/ic0604664","","","0.71073","MoKα","","0.1054","0.062","","","0.1663","0.1942","","","","","","0.997","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332514","10.6141","0.001","19.8178","0.0018","16.727","0.0015","90","","106.87","0.002","90","","3367.1","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H46 B10 N2 Ti -","- C29 H46 B10 N2 Ti -","- C116 H184 B40 N8 Ti4 -","4","2","","Wang, Hong; Wang, Yaorong; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, Reactivity, and Thermal Stability of [η5:σ-Me2C(C5H4)(C2B10H10)]Ti(R)(NMe2)","Inorganic Chemistry","2006","45","14","5675","5683","10.1021/ic0604664","","","0.71073","MoKα","","0.1412","0.061","","","0.1373","0.1808","","","","","","0.963","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332515","9.9515","0.0006","12.5586","0.0008","20.7983","0.0012","90","","102.8","0.001","90","","2534.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 B10 N2 Ti -","- C18 H38 B10 N2 Ti -","- C72 H152 B40 N8 Ti4 -","4","1","","Wang, Hong; Wang, Yaorong; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, Reactivity, and Thermal Stability of [η5:σ-Me2C(C5H4)(C2B10H10)]Ti(R)(NMe2)","Inorganic Chemistry","2006","45","14","5675","5683","10.1021/ic0604664","","","0.71073","MoKα","","0.138","0.059","","","0.1434","0.1724","","","","","","0.911","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332516","11.1282","0.0013","24.288","0.003","25.495","0.003","90","","99.113","0.002","90","","6803.9","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H53 Li3 O3 -","- C34 H53 Li3 O3 -","- C272 H424 Li24 O24 -","8","1","","Huang, Bor-Hunn; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh","Synthesis, Characterization, and Structural Determination of Polynuclear Lithium Aggregates and Factors Affecting Their Aggregation","Inorganic Chemistry","2006","45","18","7348","7356","10.1021/ic060467w","","","0.71073","MoKα","","0.144","0.0865","","","0.2333","0.2605","","","","","","1.384","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332517","13.6331","0.0014","14.5892","0.0016","19.921","0.002","69.698","0.002","80.975","0.002","79.289","0.002","3632.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H113 Li5 O6 -","- C72 H113 Li5 O6 -","- C144 H226 Li10 O12 -","2","1","","Huang, Bor-Hunn; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh","Synthesis, Characterization, and Structural Determination of Polynuclear Lithium Aggregates and Factors Affecting Their Aggregation","Inorganic Chemistry","2006","45","18","7348","7356","10.1021/ic060467w","","","0.71073","MoKα","","0.1812","0.0793","","","0.202","0.2427","","","","","","1.039","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332518","13.5458","0.0007","19.4938","0.001","29.5675","0.0015","90","","91.843","0.001","90","","7803.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C79 H119 Li5 O8 -","- C79 H119 Li5 O8 -","- C316 H476 Li20 O32 -","4","1","","Huang, Bor-Hunn; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh","Synthesis, Characterization, and Structural Determination of Polynuclear Lithium Aggregates and Factors Affecting Their Aggregation","Inorganic Chemistry","2006","45","18","7348","7356","10.1021/ic060467w","","","0.71073","MoKα","","0.1543","0.0774","","","0.2095","0.2392","","","","","","1.177","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332519","13.6569","0.0009","19.451","0.0013","29.4656","0.0018","90","","90","","90","","7827.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C76 H121 Li5 O8 -","- C76 H121 Li5 O8 -","- C304 H484 Li20 O32 -","4","1","","Huang, Bor-Hunn; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh","Synthesis, Characterization, and Structural Determination of Polynuclear Lithium Aggregates and Factors Affecting Their Aggregation","Inorganic Chemistry","2006","45","18","7348","7356","10.1021/ic060467w","","","0.71073","MoKα","","0.149","0.0588","","","0.1355","0.1606","","","","","","1.245","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332520","13.4259","0.0007","19.2911","0.001","29.6849","0.0016","90","","92.503","0.001","90","","7681.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H121 Li5 O9 -","- C76 H121 Li5 O9 -","- C304 H484 Li20 O36 -","4","1","","Huang, Bor-Hunn; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh","Synthesis, Characterization, and Structural Determination of Polynuclear Lithium Aggregates and Factors Affecting Their Aggregation","Inorganic Chemistry","2006","45","18","7348","7356","10.1021/ic060467w","","","0.71073","MoKα","","0.1974","0.069","","","0.1715","0.2241","","","","","","0.909","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332521","11.3654","0.0009","13.975","0.001","22.8886","0.0018","79.727","0.002","78.357","0.002","84.433","0.002","3496.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H105 Li3 N9 O6 P3 -","- C55 H105 Li3 N9 O6 P3 -","- C110 H210 Li6 N18 O12 P6 -","2","1","","Huang, Bor-Hunn; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh","Synthesis, Characterization, and Structural Determination of Polynuclear Lithium Aggregates and Factors Affecting Their Aggregation","Inorganic Chemistry","2006","45","18","7348","7356","10.1021/ic060467w","","","0.71073","MoKα","","0.1998","0.0849","","","0.2116","0.2507","","","","","","1.079","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332522","22.535","0.002","19.1567","0.0018","18.9544","0.0018","90","","114.063","0.002","90","","7471.5","1.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C72 H114 Li6 O9 -","- C72 H114 Li6 O9 -","- C288 H456 Li24 O36 -","4","1","","Huang, Bor-Hunn; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh","Synthesis, Characterization, and Structural Determination of Polynuclear Lithium Aggregates and Factors Affecting Their Aggregation","Inorganic Chemistry","2006","45","18","7348","7356","10.1021/ic060467w","","","0.71073","MoKα","","0.2075","0.06","","","0.137","0.2011","","","","","","0.765","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332523","21.8309","0.0019","24.2606","0.0019","23.288","0.002","90","","96.353","0.002","90","","12258.3","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H187 Li5 N15 O11 P5 -","- C94 H187 Li5 N15 O11 P5 -","- C376 H748 Li20 N60 O44 P20 -","4","1","","Huang, Bor-Hunn; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh","Synthesis, Characterization, and Structural Determination of Polynuclear Lithium Aggregates and Factors Affecting Their Aggregation","Inorganic Chemistry","2006","45","18","7348","7356","10.1021/ic060467w","","","0.71073","MoKα","","0.3148","0.0742","","","0.1728","0.2612","","","","","","0.789","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332524","10.4003","0.0003","22.294","0.0006","17.3708","0.0005","90","","99.0816","0.0018","90","","3977.2","0.2","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 N4 O16 Re4 S4 -","- C76 H86 N4 O16 Re4 S4 -","- C152 H172 N8 O32 Re8 S8 -","2","0.5","","Manimaran, Bala.; Lai, Liang-Jian; Thanasekaran, P.; Wu, Jing-Yun; Liao, Rong-Tang; Tseng, Tien-Wen; Liu, Yen-Hsiang; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","CH···π Interaction for Rhenium-Based Rectangles: An Interaction That Is Rarely Designed into a Host−Guest Pair","Inorganic Chemistry","2006","45","20","8070","8077","10.1021/ic0604720","","","0.71073","MoKα","","0.0796","0.061","","","0.1434","0.1518","","","","","","1.198","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332525","11.7531","0.0001","18.0464","0.0002","18.7263","0.0002","90","","106.564","0.0005","90","","3807.04","0.07","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H76 Ag2 N6 O22 Re4 S4 -","- C60 H76 Ag2 N6 O22 Re4 S4 -","- C120 H152 Ag4 N12 O44 Re8 S8 -","2","0.5","","Manimaran, Bala.; Lai, Liang-Jian; Thanasekaran, P.; Wu, Jing-Yun; Liao, Rong-Tang; Tseng, Tien-Wen; Liu, Yen-Hsiang; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","CH···π Interaction for Rhenium-Based Rectangles: An Interaction That Is Rarely Designed into a Host−Guest Pair","Inorganic Chemistry","2006","45","20","8070","8077","10.1021/ic0604720","","","0.71073","MoKα","","0.0616","0.0396","","","0.0878","0.1176","","","","","","1.123","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332526","23.6751","0.001","7.8618","0.0007","16.9028","0.0007","90","","130.484","0.0015","90","","2392.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 Cl2 N2 S2 Zn2 -","- C4 H12 Cl2 N2 S2 Zn2 -","- C32 H96 Cl16 N16 S16 Zn16 -","8","1","","Fleischer, Holger; Hardt, Sylvia; Schollmeyer, Dieter","Structural Diversity within Analogous Compounds: Syntheses and Studies of M(SCH2CH2NH2)Cl (M = Zn, Cd, Hg)","Inorganic Chemistry","2006","45","20","8318","8325","10.1021/ic0604765","","","1.54178","CuKα","","0.0362","0.0328","","","0.0905","0.093","","","","","","1.062","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332527","7.4818","0.0014","16.949","0.003","8.959","0.002","90","","91.568","0.01","90","","1135.7","0.4","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 Cd Cl N S -","- C2 H6 Cd Cl N S -","- C16 H48 Cd8 Cl8 N8 S8 -","8","2","","Fleischer, Holger; Hardt, Sylvia; Schollmeyer, Dieter","Structural Diversity within Analogous Compounds: Syntheses and Studies of M(SCH2CH2NH2)Cl (M = Zn, Cd, Hg)","Inorganic Chemistry","2006","45","20","8318","8325","10.1021/ic0604765","","","1.54178","CuKα","","0.0916","0.0783","","","0.2215","0.2391","","","","","","1.032","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332528","15.869","0.008","7.4583","0.0012","17.177","0.007","90","","90","","90","","2033","1.4","295","2","295","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C2 H11 Cl Hg N Na O3 S -","- C2 H6 Cl Hg N Na O3 S -","- C16 H48 Cl8 Hg8 N8 Na8 O24 S8 -","8","1","","Fleischer, Holger; Hardt, Sylvia; Schollmeyer, Dieter","Structural Diversity within Analogous Compounds: Syntheses and Studies of M(SCH2CH2NH2)Cl (M = Zn, Cd, Hg)","Inorganic Chemistry","2006","45","20","8318","8325","10.1021/ic0604765","","","0.71069","MoKα","","0.1708","0.0638","","","0.1481","0.2042","","","","","","0.998","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332529","6.8445","0.0003","8.7229","0.0003","8.9438","0.0004","109.956","0.002","102.519","0.002","99.186","0.002","473.84","0.04","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C2 H9 Cl3 Hg1.5 N O S -","- C2 H9 Cl3 Hg1.5 N O S -","- C4 H18 Cl6 Hg3 N2 O2 S2 -","2","1","","Fleischer, Holger; Hardt, Sylvia; Schollmeyer, Dieter","Structural Diversity within Analogous Compounds: Syntheses and Studies of M(SCH2CH2NH2)Cl (M = Zn, Cd, Hg)","Inorganic Chemistry","2006","45","20","8318","8325","10.1021/ic0604765","","","0.71069","MoKα","","0.066","0.0465","","","0.116","0.1269","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332530","7.8721","0.0016","10.017","0.002","10.443","0.002","95.5","0.03","105.46","0.03","93.93","0.03","786.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Mn2 N12 O6 -","- C28 H26 Mn2 N12 O6 -","- C28 H26 Mn2 N12 O6 -","1","0.5","","Ge, Chun-Hua; Cui, Ai-Li; Ni, Zhong-Hai; Jiang, Yun-Bo; Zhang, Li-Fang; Ribas, Joan; Kou, Hui-Zhong","μ1,1-Azide-Bridged Ferromagnetic MnIIIDimer with Slow Relaxation of Magnetization","Inorganic Chemistry","2006","45","13","4883","4885","10.1021/ic060479h","","","0.71073","MoKα","","0.0543","0.0463","","","0.1246","0.1294","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332531","7.8365","0.0001","5.62685","0.00007","7.49381","0.0001","90","","99.0673","0.0011","90","","326.309","0.007","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ag Cu O4 P -","- Ag Cu O4 P -","- Ag4 Cu4 O16 P4 -","4","1","","Ben Yahia, Hamdi; Gaudin, Etienne; Darriet, Jacques; Dai, Dadi; Whangbo, Myung-Hwan","Comparison of the Crystal Structures and Magnetic Properties of the Low- and High-Temperature Forms of AgCuPO4: Crystal Structure Determination, Magnetic Susceptibility Measurements, and Spin Dimer Analysis","Inorganic Chemistry","2006","45","14","5501","5509","10.1021/ic060484l","powder diffraction","","1.54051","CuKα~1~","","0.0476","0.0474","","","0.0421","0.0421","","","1.58","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332532","7.3221","0.0005","9.7525","0.0007","11.8921","0.001","90","","90","","90","","849.2","0.11","123","2","123","2","","","","","","","synthesis as described","3","P 21 c a","P -2ac 2a","29","dcbpa","","","- C10 H9 N3 -","- C10 H9 N3 -","- C40 H36 N12 -","4","1","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Helices versus Zigzag Chains: One-Dimensional Coordination Polymers of AgIand Bis(4-pyridyl)amine","Inorganic Chemistry","2006","45","19","7651","7664","10.1021/ic060487y","","x-ray","0.71073","MoKα","","0.0671","0.0436","","","0.0787","0.0849","","","","","","1.115","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332533","10.398","0.0009","23.632","0.0019","6.99","0.0006","90","","107.067","0.001","90","","1642","0.2","163","2","163","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Ag F3 N4 O3 S -","- C13 H12 Ag F3 N4 O3 S -","- C52 H48 Ag4 F12 N16 O12 S4 -","4","1","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Helices versus Zigzag Chains: One-Dimensional Coordination Polymers of AgIand Bis(4-pyridyl)amine","Inorganic Chemistry","2006","45","19","7651","7664","10.1021/ic060487y","","","0.71073","MoKα","","0.0313","0.0276","","","0.0712","0.0735","","","","","","1.092","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332534","7.9029","0.0007","9.8007","0.0009","20.506","0.0019","90","","99.297","0.002","90","","1567.4","0.2","98","2","98","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H12 Ag F6 N4 P -","- C12 H12 Ag F6 N4 P -","- C48 H48 Ag4 F24 N16 P4 -","4","1","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Helices versus Zigzag Chains: One-Dimensional Coordination Polymers of AgIand Bis(4-pyridyl)amine","Inorganic Chemistry","2006","45","19","7651","7664","10.1021/ic060487y","","","0.71073","MoKα","","0.0334","0.0268","","","0.0603","0.063","","","","","","1.066","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332535","7.324","0.002","23.444","0.008","19.55","0.006","90","","91.168","0.006","90","","3356.1","1.8","111","2","111","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Ag2 Cl2 N10 O8 -","- C28 H30 Ag2 Cl2 N10 O8 -","- C112 H120 Ag8 Cl8 N40 O32 -","4","1","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Helices versus Zigzag Chains: One-Dimensional Coordination Polymers of AgIand Bis(4-pyridyl)amine","Inorganic Chemistry","2006","45","19","7651","7664","10.1021/ic060487y","","","0.71073","MoKα","","0.1686","0.106","","","0.2558","0.2883","","","","","","1.063","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332536","8.0101","0.0003","8.0101","0.0003","33.3449","0.001","90","","90","","120","","1852.83","0.11","173","2","173","2","","","","","","","synthesis as described","6","P 65 2 2","P 65 2 (0 0 1)","179","DCBACH","","","- C10 H9 Ag Cl N3 O4 -","- C10 H9 Ag Cl N3 O4 -","- C60 H54 Ag6 Cl6 N18 O24 -","6","0.5","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Helices versus Zigzag Chains: One-Dimensional Coordination Polymers of AgIand Bis(4-pyridyl)amine","Inorganic Chemistry","2006","45","19","7651","7664","10.1021/ic060487y","","x-ray","0.71073","MoKα","","0.05","0.031","","","0.0614","0.0676","","","","","","1.623","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332537","9.459","0.004","9.459","0.004","34.558","0.014","90","","90","","120","","2677.7","1.9","123","2","123","2","","","","","","","synthesis as described","5","R 3 2 :H","R 3 2""","155","DCHEX","","","- C10 H9 Ag N4 O3 -","- C10 H9 Ag N4 O3 -","- C90 H81 Ag9 N36 O27 -","9","0.5","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Helices versus Zigzag Chains: One-Dimensional Coordination Polymers of AgIand Bis(4-pyridyl)amine","Inorganic Chemistry","2006","45","19","7651","7664","10.1021/ic060487y","","x-ray","0.71069","MoKα","","0.0536","0.0492","","","0.1237","0.1291","","","","","","1.158","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332538","12.0737","0.0007","12.5843","0.0008","12.6521","0.0008","63.42","0.002","81.402","0.002","80.928","0.002","1690.87","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H46 Cl2 N4 O9 Pt -","- C27.5 H43 Cl2 N4 O9 Pt -","- C55 H86 Cl4 N8 O18 Pt2 -","2","1","","Vicente, José; Chicote, María-Teresa; Guerrero, Rita; Vicente-Hernández, Inmaculada; Jones, Peter G.; Bautista, Delia","Synthesis of Acetimino Complexes of Pt(II) and Pt(IV) and the First Heteronuclear μ-Acetimido Complexes","Inorganic Chemistry","2006","45","13","5201","5209","10.1021/ic060489i","","","0.71073","MoKα","","0.039","0.0362","","","0.0838","0.085","","","","","","1.166","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332539","8.902","0.005","10.74","0.007","14.633","0.007","79.979","0.018","78.027","0.015","83.597","0.019","1343.6","1.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","[Zn(L3)Cl2]-MeOH-H2O","","- C25 H27 Cl2 N3 O5 Zn -","- C25 H27 Cl2 N3 O5 Zn -","- C50 H54 Cl4 N6 O10 Zn2 -","2","1","","Wu, Gang; Wang, Xiao-Feng; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Structures, and Photoluminescence Properties of Metal(II) Halide Complexes with Pyridine-Containing Flexible Tripodal Ligands","Inorganic Chemistry","2006","45","21","8523","8532","10.1021/ic060493u","","","0.71075","MoKα","","0.045","0.0289","","","0.053","0.0555","","","","","","0.871","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332540","35.122","0.013","7.767","0.003","16.511","0.007","90","","98.55","0.03","90","","4454","3","200","","200","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[MnCl2(L3)2]-1/2(EtOH)-1/2(H2O)","","- C49 H46 Cl2 Mn N6 O7 -","- C49 H44.5 Cl2 Mn N6 O7 -","- C196 H178 Cl8 Mn4 N24 O28 -","4","1","","Wu, Gang; Wang, Xiao-Feng; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Structures, and Photoluminescence Properties of Metal(II) Halide Complexes with Pyridine-Containing Flexible Tripodal Ligands","Inorganic Chemistry","2006","45","21","8523","8532","10.1021/ic060493u","","","0.71075","MoKα","","0.1482","0.0431","","","0.043","0.0476","","","","","","0.719","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332541","23.799","0.012","17.669","0.012","7.973","0.004","90","","108.314","0.015","90","","3183","3","200","","200","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","[Cu3(L2)2Cl6]-2DMF","","- C54 H56 Cl6 Cu3 N8 O8 -","- C54 H56 Cl6 Cu3 N8 O8 -","- C108 H112 Cl12 Cu6 N16 O16 -","2","0.25","","Wu, Gang; Wang, Xiao-Feng; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Structures, and Photoluminescence Properties of Metal(II) Halide Complexes with Pyridine-Containing Flexible Tripodal Ligands","Inorganic Chemistry","2006","45","21","8523","8532","10.1021/ic060493u","","","0.71075","MoKα","","0.1372","0.0901","","","0.2399","0.271","","","","","","1.043","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332542","24.299","0.011","17.688","0.011","8.11","0.004","90","","106.954","0.015","90","","3334","3","200","","200","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","[Cu3(L2)2Br6]-4MeOH","","- C52 H58 Br6 Cu3 N6 O10 -","- C52 H42 Br6 Cu3 N6 O10 -","- C104 H84 Br12 Cu6 N12 O20 -","2","0.25","","Wu, Gang; Wang, Xiao-Feng; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Structures, and Photoluminescence Properties of Metal(II) Halide Complexes with Pyridine-Containing Flexible Tripodal Ligands","Inorganic Chemistry","2006","45","21","8523","8532","10.1021/ic060493u","","","0.71075","MoKα","","0.2147","0.1094","","","0.2706","0.3374","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332543","7.596","0.003","24.397","0.006","28.642","0.006","90","","90","","90","","5308","3","200","","200","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Hg2Cl4(L4)]","","- C24 H21 Cl4 Hg2 N3 O3 -","- C24 H21 Cl4 Hg2 N3 O3 -","- C192 H168 Cl32 Hg16 N24 O24 -","8","1","","Wu, Gang; Wang, Xiao-Feng; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Structures, and Photoluminescence Properties of Metal(II) Halide Complexes with Pyridine-Containing Flexible Tripodal Ligands","Inorganic Chemistry","2006","45","21","8523","8532","10.1021/ic060493u","","","0.71075","MoKα","","0.0735","0.0513","","","0.1157","0.1252","","","","","","1.05","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332544","7.7648","0.0018","25.174","0.006","28.672","0.005","90","","90","","90","","5605","2","200","","200","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Hg2Br4(L4)]","","- C24 H21 Br4 Hg2 N3 O3 -","- C24 H21 Br4 Hg2 N3 O3 -","- C192 H168 Br32 Hg16 N24 O24 -","8","1","","Wu, Gang; Wang, Xiao-Feng; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Structures, and Photoluminescence Properties of Metal(II) Halide Complexes with Pyridine-Containing Flexible Tripodal Ligands","Inorganic Chemistry","2006","45","21","8523","8532","10.1021/ic060493u","","","0.71075","MoKα","","0.0894","0.057","","","0.1247","0.1383","","","","","","1.044","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332545","15.427","0.003","16.466","0.004","24.96","0.005","78.94","0.007","80.93","0.007","76.733","0.008","6014","2","200","","200","","","","","","","","","6","P -1","-P 1","2","","[Hg3I6(L4)2]-H2O","","- C48 H44 Hg3 I6 N6 O7 -","- C48 H42 Hg3 I6 N6 O7 -","- C192 H168 Hg12 I24 N24 O28 -","4","2","","Wu, Gang; Wang, Xiao-Feng; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Structures, and Photoluminescence Properties of Metal(II) Halide Complexes with Pyridine-Containing Flexible Tripodal Ligands","Inorganic Chemistry","2006","45","21","8523","8532","10.1021/ic060493u","","","0.71075","MoKα","","0.2038","0.0948","","","0.2037","0.2464","","","","","","1.032","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332546","16.8297","0.0009","11.9719","0.0006","17.0868","0.0009","90","","109.871","0.001","90","","3237.7","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Cl N2 O4 Pb S -","- C12 H19 Cl N2 O4 Pb S -","- C96 H152 Cl8 N16 O32 Pb8 S8 -","8","2","","Andersen, Ryan J.; diTargiani, Robert C.; Hancock, Robert D.; Stern, Charlotte L.; Goldberg, David P.; Godwin, Hilary A.","Characterization of the First N2S(alkylthiolate)lead Compound: A Model for Three-Coordinate Lead in Biological Systems†","Inorganic Chemistry","2006","45","17","6574","6576","10.1021/ic060497z","","","0.71073","MoKα","","0.0375","0.0259","","","0.0629","0.0675","","","","","","1.049","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332547","15.334","0.007","4.1937","0.0019","6.975","0.003","90","","108.472","0.007","90","","425.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Er4 Ge4 In Ni2 -","- Er4 Ge4 In Ni2 -","- Er8 Ge8 In2 Ni4 -","2","0.25","","Salvador, James R.; Kanatzidis, Mercouri G.","Indium Flux Synthesis of RE4Ni2InGe4(RE = Dy, Ho, Er, and Tm): An Ordered Quaternary Variation on the Binary Phase Mg5Si6","Inorganic Chemistry","2006","45","18","7091","7099","10.1021/ic0605017","","","0.71073","MoKα","","0.0237","0.0218","","","0.0508","0.0512","","","","","","1.228","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332548","15.42","0.002","4.2224","0.0007","7.0191","0.0011","90","","108.589","0.002","90","","433.17","0.11","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Dy4 Ge4 In Ni2 -","- Dy4 Ge4 In Ni2 -","- Dy8 Ge8 In2 Ni4 -","2","0.25","","Salvador, James R.; Kanatzidis, Mercouri G.","Indium Flux Synthesis of RE4Ni2InGe4(RE = Dy, Ho, Er, and Tm): An Ordered Quaternary Variation on the Binary Phase Mg5Si6","Inorganic Chemistry","2006","45","18","7091","7099","10.1021/ic0605017","","","0.71073","MoKα","","0.0233","0.0222","","","0.0517","0.0521","","","","","","1.188","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332549","15.373","0.004","4.2101","0.0009","6.9935","0.0015","90","","108.6","0.003","90","","428.99","0.17","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ge4 Ho4 In Ni2 -","- Ge4 Ho4 In Ni2 -","- Ge8 Ho8 In2 Ni4 -","2","0.25","","Salvador, James R.; Kanatzidis, Mercouri G.","Indium Flux Synthesis of RE4Ni2InGe4(RE = Dy, Ho, Er, and Tm): An Ordered Quaternary Variation on the Binary Phase Mg5Si6","Inorganic Chemistry","2006","45","18","7091","7099","10.1021/ic0605017","","","0.71073","MoKα","","0.0302","0.0281","","","0.0671","0.0679","","","","","","1.242","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332550","15.253","0.002","4.1747","0.0006","6.946","0.0009","90","","108.535","0.002","90","","419.36","0.1","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ge4 In Ni2 Tm4 -","- Ge4 In Ni2 Tm4 -","- Ge8 In2 Ni4 Tm8 -","2","0.25","","Salvador, James R.; Kanatzidis, Mercouri G.","Indium Flux Synthesis of RE4Ni2InGe4(RE = Dy, Ho, Er, and Tm): An Ordered Quaternary Variation on the Binary Phase Mg5Si6","Inorganic Chemistry","2006","45","18","7091","7099","10.1021/ic0605017","","","0.71073","MoKα","","0.0249","0.0237","","","0.0582","0.0587","","","","","","1.214","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332551","22.8936","0.0007","16.4505","0.0005","24.9447","0.0008","90","","105.693","0.001","90","","9044.3","0.5","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H98 Cl3 Co N36 O33 -","- C52 H64 Cl3 Co N36 O33 -","- C208 H256 Cl12 Co4 N144 O132 -","4","1","","Mitkina, Tatiana V.; Sokolov, Maxim N.; Naumov, Dmitry Y.; Kuratieva, Natalia V.; Gerasko, Olga A.; Fedin, Vladimir P.","Jørgensen Complex within a Molecular Container: Selective Encapsulation oftrans-[Co(en)2Cl2]+into Cucurbit[8]uril and Influence of Inclusion on Guest's Properties","Inorganic Chemistry","2006","45","17","6950","6955","10.1021/ic060502z","","x-ray","0.71073","MoKα","","0.1277","0.0596","","","0.0814","0.0963","","","","","","1.163","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332552","28.2264","0.0006","28.2264","0.0006","21.7921","0.0008","90","","90","","90","","17362.4","0.8","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C292 H519 Cl3 Co N196 O207.5 -","- C389.44 H400.32 Cl4 Co1.32 N261.36 O276.72 -","- C389.44 H400.32 Cl4 Co1.32 N261.36 O276.72 -","1","0.0625","","Mitkina, Tatiana V.; Sokolov, Maxim N.; Naumov, Dmitry Y.; Kuratieva, Natalia V.; Gerasko, Olga A.; Fedin, Vladimir P.","Jørgensen Complex within a Molecular Container: Selective Encapsulation oftrans-[Co(en)2Cl2]+into Cucurbit[8]uril and Influence of Inclusion on Guest's Properties","Inorganic Chemistry","2006","45","17","6950","6955","10.1021/ic060502z","","x-ray","0.71073","MoKα","","0.1168","0.0546","","","0.2104","0.2901","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332553","9.9601","0.0014","13.2299","0.0019","14.539","0.002","63.458","0.002","88.157","0.003","73.629","0.003","1634.6","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H26 Cl8 Ni O2 Ru S4 -","- C20 H26 Cl8.06 Ni O2 Ru S4 -","- C40 H52 Cl16.12 Ni2 O4 Ru2 S8 -","2","1","","Oudart, Y.; Artero, V.; Pécaut, J.; Fontecave, M.","[Ni(xbsms)Ru(CO)2Cl2]: A Bioinspired Nickel−Ruthenium Functional Model of [NiFe] Hydrogenase","Inorganic Chemistry","2006","45","11","4334","4336","10.1021/ic060510f","","","0.71073","MoKα","","0.0403","0.0319","","","0.0818","0.0866","","","","","","1.054","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332554","8.0599","0.0006","13.3528","0.0009","14.5948","0.001","90","","90","","90","","1570.72","0.19","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Fe N4 O2 -","- C15 H26 Fe N4 O2 -","- C60 H104 Fe4 N16 O8 -","4","1","","Hung, Mu-Cheng; Tsai, Ming-Che; Lee, Gene-Hsiang; Liaw, Wen-Feng","Transformation and Structural Discrimination between the Neutral {Fe(NO)2}10Dinitrosyliron Complexes (DNICs) and the Anionic/Cationic {Fe(NO)2}9DNICs","Inorganic Chemistry","2006","45","15","6041","6047","10.1021/ic0605120","","","0.71073","MoKα","","0.0352","0.0332","","","0.0781","0.0792","","","","","","1.142","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332555","7.633","0.0006","13.0093","0.001","11.4865","0.0008","90","","98.786","0.002","90","","1127.23","0.15","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Fe N4 O2 -","- C6 H16 Fe N4 O2 -","- C24 H64 Fe4 N16 O8 -","4","1","","Hung, Mu-Cheng; Tsai, Ming-Che; Lee, Gene-Hsiang; Liaw, Wen-Feng","Transformation and Structural Discrimination between the Neutral {Fe(NO)2}10Dinitrosyliron Complexes (DNICs) and the Anionic/Cationic {Fe(NO)2}9DNICs","Inorganic Chemistry","2006","45","15","6041","6047","10.1021/ic0605120","","","0.71073","MoKα","","0.0836","0.0562","","","0.114","0.125","","","","","","1.082","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332556","9.0487","0.0007","11.9775","0.0009","18.307","0.0014","71.703","0.002","81.308","0.002","82.005","0.002","1853.3","0.2","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C39 H36 Fe N3 O2 P2 S2 -","- C39 H36 Fe N3 O2 P2 S2 -","- C78 H72 Fe2 N6 O4 P4 S4 -","2","1","","Hung, Mu-Cheng; Tsai, Ming-Che; Lee, Gene-Hsiang; Liaw, Wen-Feng","Transformation and Structural Discrimination between the Neutral {Fe(NO)2}10Dinitrosyliron Complexes (DNICs) and the Anionic/Cationic {Fe(NO)2}9DNICs","Inorganic Chemistry","2006","45","15","6041","6047","10.1021/ic0605120","","","0.71073","MoKα","","0.0552","0.0441","","","0.1075","0.1145","","","","","","1.022","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332557","9.98","0.003","26.47","0.008","10.918","0.003","90","","111.561","0.005","90","","2682.4","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N4 O5 Zn -","- C28 H30 N4 O5 Zn -","- C112 H120 N16 O20 Zn4 -","4","1","","Das, Sanjib; Bharadwaj, Parimal K.","Self-Assembly of a Luminescent Zinc(II) Complex: a Supramolecular Host−Guest Fluorescence Signaling System for Selective Nitrobenzene Inclusion","Inorganic Chemistry","2006","45","14","5257","5259","10.1021/ic060518p","","","0.71073","MoKα","","0.0975","0.0573","","","0.1236","0.1469","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332558","8.18","0.005","27.217","0.005","13.89","0.005","90","0.005","95.044","0.005","90","0.005","3080","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 N5 O6 Zn -","- C34 H33 N5 O6 Zn -","- C136 H132 N20 O24 Zn4 -","4","1","","Das, Sanjib; Bharadwaj, Parimal K.","Self-Assembly of a Luminescent Zinc(II) Complex: a Supramolecular Host−Guest Fluorescence Signaling System for Selective Nitrobenzene Inclusion","Inorganic Chemistry","2006","45","14","5257","5259","10.1021/ic060518p","","","0.71069","MoKα","","0.08","0.054","","","0.12","0.1308","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332559","4.9555","0.0001","5.5854","0.0002","12.7299","0.0003","90","","90","","90","","352.344","0.017","293","2","293","2","","","","","","","","2","P b n b","-P 2bc 2ab","56","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi8 O12 -","4","0.5","","Cornei, Nicoleta; Tancret, Nathalie; Abraham, Francis; Mentré, Olivier","New ε-Bi2O3Metastable Polymorph","Inorganic Chemistry","2006","45","13","4886","4888","10.1021/ic0605221","","","0.71073","MoKα","","0.0434","0.0312","","","0.0742","0.0784","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332560","13.1951","0.0011","13.9814","0.0012","21.5885","0.0018","77.871","0.001","87.181","0.002","62.977","0.001","3463.9","0.5","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","(PPh4)3[W(CN)7(O2)]4H2O","","- C79 H68 N7 O6 P3 W -","- C79 H64 N7 O6 P3 W -","- C158 H128 N14 O12 P6 W2 -","2","1","","Matoga, Dariusz; Szklarzewicz, Janusz; Mikuriya, Masahiro","[PPh4]3[W(CN)7(O2)]·4H2O as the Representative of the [M(L)7(LL)] Class for Nine-Coordinate Complexes","Inorganic Chemistry","2006","45","18","7100","7104","10.1021/ic060523t","","","0.71073","MoKα","","0.0432","0.0336","","","0.0841","0.0892","","","","","","1.03","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332561","10.1034","0.0007","25.155","0.0016","9.104","0.0006","90","","90","","90","","2313.8","0.3","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6.5 H10 N O6 P2 Zn1.5 -","- C6.5 H10 N O6 P2 Zn1.5 -","- C52 H80 N8 O48 P16 Zn12 -","8","1","","Hu, Liangming; Fan, Jian; Slebodnick, Carla; Hanson, Brian E.","Structural Diversity in 4,4‘-Trimethylenedipyridine−zinc phosphite Hybrids: Incorporation of Neutral Guest Molecules in Hybrid Materials","Inorganic Chemistry","2006","45","19","7681","7688","10.1021/ic0605266","","x-ray","0.71073","MoKα","","0.0341","0.0322","","","0.115","0.1172","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332562","23.86","0.004","5.1324","0.0007","32.021","0.005","90","","97.364","0.012","90","","3888.9","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H42 N4 O17 P4 Zn4 -","- C26 H42 N4 O17 P4 Zn4 -","- C104 H168 N16 O68 P16 Zn16 -","4","0.5","","Hu, Liangming; Fan, Jian; Slebodnick, Carla; Hanson, Brian E.","Structural Diversity in 4,4‘-Trimethylenedipyridine−zinc phosphite Hybrids: Incorporation of Neutral Guest Molecules in Hybrid Materials","Inorganic Chemistry","2006","45","19","7681","7688","10.1021/ic0605266","","x-ray","0.71073","MoKα","","0.0713","0.0513","","","0.0905","0.0954","","","","","","1.136","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332563","9.622","0.0014","24.389","0.004","8.459","0.0011","90","","90","","90","","1985.1","0.5","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C13 H22 N2 O9 P2 Zn2 -","- C13 H22 N2 O9 P2 Zn2 -","- C52 H88 N8 O36 P8 Zn8 -","4","0.5","","Hu, Liangming; Fan, Jian; Slebodnick, Carla; Hanson, Brian E.","Structural Diversity in 4,4‘-Trimethylenedipyridine−zinc phosphite Hybrids: Incorporation of Neutral Guest Molecules in Hybrid Materials","Inorganic Chemistry","2006","45","19","7681","7688","10.1021/ic0605266","","x-ray","0.71073","MoKα","","0.0448","0.031","","","0.0708","0.0729","","","","","","0.956","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332564","9.9947","0.0003","23.8866","0.0009","9.5533","0.0011","90","","90","","90","","2280.7","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H22 N2 O7 P2 Zn2 -","- C19 H22 N2 O7 P2 Zn2 -","- C76 H88 N8 O28 P8 Zn8 -","4","0.5","","Hu, Liangming; Fan, Jian; Slebodnick, Carla; Hanson, Brian E.","Structural Diversity in 4,4‘-Trimethylenedipyridine−zinc phosphite Hybrids: Incorporation of Neutral Guest Molecules in Hybrid Materials","Inorganic Chemistry","2006","45","19","7681","7688","10.1021/ic0605266","","x-ray","0.71073","MoKα","","0.042","0.0329","","","0.0667","0.0683","","","","","","1.159","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332565","18.0264","0.0005","12.4289","0.0003","17.6357","0.0005","90","","90","","90","","3951.25","0.18","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H42 N4 O10 P2 Zn2 -","- C38 H42 N4 O10 P2 Zn2 -","- C152 H168 N16 O40 P8 Zn8 -","4","1","","Hu, Liangming; Fan, Jian; Slebodnick, Carla; Hanson, Brian E.","Structural Diversity in 4,4‘-Trimethylenedipyridine−zinc phosphite Hybrids: Incorporation of Neutral Guest Molecules in Hybrid Materials","Inorganic Chemistry","2006","45","19","7681","7688","10.1021/ic0605266","","x-ray","0.71073","MoKα","","0.069","0.0345","","","0.0454","0.0493","","","","","","0.785","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332566","16.6901","0.001","14.9412","0.0009","16.0256","0.001","90","","117.73","0.006","90","","3537.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N2 O7 P2 Zn2 -","- C13 H16 N2 O7 P2 Zn2 -","- C104 H128 N16 O56 P16 Zn16 -","8","1","","Hu, Liangming; Fan, Jian; Slebodnick, Carla; Hanson, Brian E.","Structural Diversity in 4,4‘-Trimethylenedipyridine−zinc phosphite Hybrids: Incorporation of Neutral Guest Molecules in Hybrid Materials","Inorganic Chemistry","2006","45","19","7681","7688","10.1021/ic0605266","","x-ray","0.71073","MoKα","","0.0264","0.0225","","","0.0584","0.0595","","","","","","1.07","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332567","23.917","0.003","23.917","0.003","23.917","0.003","90","","90","","90","","13681","3","130.15","","130.15","","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C54 H66.5 Cl2.5 Co4 N9 Na O30 -","- C54 H57 Cl2.5 Co4 N9 Na O30.01 -","- C432 H456 Cl20 Co32 N72 Na8 O240.08 -","8","0.666667","","Li, Yamin; Xiang, Shengchang; Sheng, Tianlu; Zhang, Jianjun; Hu, Shengmin; Fu, Ruibiao; Huang, Xihe; Wu, Xintao","Two Chiral Metal Clusters Derived from Nucleophilic Addition ofl-proline to Di-2-pyridyl Ketone","Inorganic Chemistry","2006","45","17","6577","6579","10.1021/ic060530h","","","0.71073","MoKα","","0.0696","0.0671","","","0.1841","0.1883","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332568","23.8703","0.0008","23.8703","0.0008","23.8703","0.0008","90","","90","","90","","13601.1","0.8","130.15","","130.15","","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C54 H66.5 Cl2.5 N9 Na Ni4 O30 -","- C54 H57 Cl2.5 N9 Na Ni4 O30.01 -","- C432 H456 Cl20 N72 Na8 Ni32 O240.08 -","8","0.666667","","Li, Yamin; Xiang, Shengchang; Sheng, Tianlu; Zhang, Jianjun; Hu, Shengmin; Fu, Ruibiao; Huang, Xihe; Wu, Xintao","Two Chiral Metal Clusters Derived from Nucleophilic Addition ofl-proline to Di-2-pyridyl Ketone","Inorganic Chemistry","2006","45","17","6577","6579","10.1021/ic060530h","","","0.71073","MoKα","","0.0762","0.0729","","","0.2012","0.2038","","","","","","1.165","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332569","10.3718","0.0002","11.8762","0.0003","13.4373","0.0003","78.6455","0.0008","79.7779","0.0008","79.5352","0.0009","1578.46","0.06","150","","150","","","","","","","","see text","5","P -1","-P 1","2","","","","- C42 H50 Mn6 N4 O22 -","- C42 H50 Mn6 N4 O22 -","- C42 H50 Mn6 N4 O22 -","1","0.5","","Godbole, Meenal D.; Roubeau, Olivier; Mills, Allison M.; Kooijman, Huub; Spek, Anthony L.; Bouwman, Elisabeth","High-Nuclearity Manganese and Iron Complexes with the Anionic Ligand Methyl Salicylimidate","Inorganic Chemistry","2006","45","17","6713","6722","10.1021/ic0605322","","x-ray","0.71073","MoKα","","0.0607","0.0395","","","0.0912","0.0971","","","","","","1.046","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332570","9.753","0.003","27.559","0.006","25.86","0.008","90","","115.621","0.013","90","","6267","3","150","","150","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H76 Mn8 N4 O28 -","- C48 H76 Mn8 N4 O28 -","- C192 H304 Mn32 N16 O112 -","4","1","","Godbole, Meenal D.; Roubeau, Olivier; Mills, Allison M.; Kooijman, Huub; Spek, Anthony L.; Bouwman, Elisabeth","High-Nuclearity Manganese and Iron Complexes with the Anionic Ligand Methyl Salicylimidate","Inorganic Chemistry","2006","45","17","6713","6722","10.1021/ic0605322","","x-ray","0.71073","MoKα","","0.1918","0.0816","","","0.1227","0.1582","","","","","","1.055","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332571","10.7152","0.0003","12.7086","0.0003","16.3521","0.0006","110.146","0.0011","101.814","0.0011","92.868","0.002","2028.54","0.11","150","","150","","","","","","","","see text","6","P -1","-P 1","2","","","","- C62 H90 Cl2 Fe10 N6 O30 -","- C62 H90 Cl2 Fe10 N6 O30 -","- C62 H90 Cl2 Fe10 N6 O30 -","1","0.5","","Godbole, Meenal D.; Roubeau, Olivier; Mills, Allison M.; Kooijman, Huub; Spek, Anthony L.; Bouwman, Elisabeth","High-Nuclearity Manganese and Iron Complexes with the Anionic Ligand Methyl Salicylimidate","Inorganic Chemistry","2006","45","17","6713","6722","10.1021/ic0605322","","x-ray","0.71073","MoKα","","0.0797","0.0471","","","0.1056","0.1155","","","","","","1.054","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332572","21.896","","17.306","","17.538","","90","","123.16","","90","","5563.43","","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H34 Co2 Fe2 N6 Na2 O26 -","- C52 H34 Co2 Fe2 N6 Na2 O26 -","- C208 H136 Co8 Fe8 N24 Na8 O104 -","4","0.5","","Cucos, Paula; Pascu, Mirela; Sessoli, Roberta; Avarvari, Narcis; Pointillart, Fabrice; Andruh, Marius","Heterotopic Helicand for Designing Heterometallic Helicates","Inorganic Chemistry","2006","45","18","7035","7037","10.1021/ic060533u","","","0.71073","MoKα","","0.1659","0.0743","","","0.1143","0.1396","","","","","","1.104","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4332573","10.0252","0.0018","11.0678","0.0009","17.9626","0.0018","114.955","0.007","50.81","0.015","131.827","0.013","1151.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(μ-thiocyanato-N,N',S,S'). 1/2(benz[a]anthracene)","","- C23 H16 N4 Ni O4 S2 -","- C23 H16 N4 Ni O4 S2 -","- C46 H32 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi; Ogura, Katsuyuki","Coordination Framework Hosts Consisting of 4-Pyridyl-Substituted Carboxylic Acid (PCA) Dimers and 1D Chains of Ni2+and SCN-: A Rational Structural Extension toward Coordination Framework Hosts with Large Rectangular Cavities","Inorganic Chemistry","2006","45","23","9233","9244","10.1021/ic0605367","","x-ray","0.71069","MoKα","","0.1099","0.067","","0.1772","0.1553","0.1745","","","","1.096","1.096","1.103","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332574","9.7107","0.0008","10.9816","0.001","20.6459","0.0015","95.132","0.003","35.56","0.004","90.949","0.003","1269.2","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-3-(4-pyridyl)propenoic acid)nickel(II) -bis(μ-thiocyanato-N,N',S,S').1/2(benz[a]anthracene)","","- C27 H20 N4 Ni O4 S2 -","- C27 H20 N4 Ni O4 S2 -","- C54 H40 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi; Ogura, Katsuyuki","Coordination Framework Hosts Consisting of 4-Pyridyl-Substituted Carboxylic Acid (PCA) Dimers and 1D Chains of Ni2+and SCN-: A Rational Structural Extension toward Coordination Framework Hosts with Large Rectangular Cavities","Inorganic Chemistry","2006","45","23","9233","9244","10.1021/ic0605367","","x-ray","0.71069","MoKα","","0.1057","0.0608","","","0.1477","0.1712","","","","","","1","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332575","10.697","0.014","10.926","0.007","26.82","0.02","115.63","0.07","45.83","0.13","128.98","0.07","1748","5","182","2","182","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-4-(4-pyridyl)benzoic acid)nickel(II) -bis(μ-thiocyanato-N,N',S,S').(pyrene)","","- C42 H28 N4 Ni O4 S2 -","- C42 H28 N4 Ni O4 S2 -","- C84 H56 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi; Ogura, Katsuyuki","Coordination Framework Hosts Consisting of 4-Pyridyl-Substituted Carboxylic Acid (PCA) Dimers and 1D Chains of Ni2+and SCN-: A Rational Structural Extension toward Coordination Framework Hosts with Large Rectangular Cavities","Inorganic Chemistry","2006","45","23","9233","9244","10.1021/ic0605367","","x-ray","0.71069","MoKα","","0.278","0.0695","","","0.1528","0.2081","","","","","","0.783","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332576","10.9741","0.0004","16.7648","0.0004","33.6402","0.0009","120.456","0.003","37.446","0.001","134.53","0.005","2664.8","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-trans-4-(2-(4-pyridyl)ethenyl)benzoic acid)nickel(II) -bis(`m-thiocyanato-N,N',S,S')3/2.(benz[a]anthracene)","","- C63 H45 N6 Ni1.5 O6 S3 -","- C63 H45 N6 Ni1.5 O6 S3 -","- C126 H90 N12 Ni3 O12 S6 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi; Ogura, Katsuyuki","Coordination Framework Hosts Consisting of 4-Pyridyl-Substituted Carboxylic Acid (PCA) Dimers and 1D Chains of Ni2+and SCN-: A Rational Structural Extension toward Coordination Framework Hosts with Large Rectangular Cavities","Inorganic Chemistry","2006","45","23","9233","9244","10.1021/ic0605367","","x-ray","0.71069","MoKα","","0.0959","0.0484","","","0.1055","0.131","","","","","","0.957","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332577","6.8359","0.0012","7.2076","0.0012","8.7367","0.0014","90","","90","","90","","430.46","0.12","100","2","100","2","","","","","","","Synthesized","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 H2 O4 Sr -","- C2 H2 O4 Sr -","- C8 H8 O16 Sr4 -","4","1","","Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]","Inorganic Chemistry","2006","45","14","5521","5528","10.1021/ic060543v","","x-ray","0.71073","MoKα","","0.0185","0.0166","","","0.0379","0.0386","","","","","","0.893","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332578","7.0497","0.0012","12.706","0.002","15.481","0.002","90","","90","","90","","1386.7","0.4","100","2","100","2","","","","","","","Synthesized","5","P n m a","-P 2ac 2n","62","","","","- C5.67 H5.67 Ba3 N0.33 O12.32 -","- C5.687 H5.687 Ba3 N0.313 O12.313 -","- C22.748 H22.748 Ba12 N1.252 O49.252 -","4","0.5","","Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]","Inorganic Chemistry","2006","45","14","5521","5528","10.1021/ic060543v","","x-ray","0.71073","MoKα","","0.0184","0.0176","","","0.0423","0.0427","","","","","","1.188","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332579","11.4007","0.0006","9.9047","0.0004","14.5357","0.0006","90","","91.317","0.002","90","","1640.95","0.13","100","2","100","2","","","","","","","Synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Mg3 N O13 -","- C9 H13 Mg3 N O13 -","- C36 H52 Mg12 N4 O52 -","4","1","","Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]","Inorganic Chemistry","2006","45","14","5521","5528","10.1021/ic060543v","","x-ray","0.71073","MoKα","","0.04","0.0302","","","0.0754","0.0791","","","","","","1.047","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332580","11.324","0.002","9.847","0.002","14.623","0.003","90","","91.15","0.03","90","","1630.2","0.6","100","2","100","2","","","","","","","Synthesized","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Mg3 O12 -","- C6 H6 Mg3 O12 -","- C24 H24 Mg12 O48 -","4","1","","Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]","Inorganic Chemistry","2006","45","14","5521","5528","10.1021/ic060543v","","x-ray","0.71073","MoKα","","0.0341","0.026","","","0.0642","0.0679","","","","","","1.058","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332581","11.307","0.0018","9.8568","0.0015","14.729","0.003","90","","91.371","0.003","90","","1641.1","0.5","100","2","100","2","","","","","","","Synthesized","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Mg3 O13 -","- C10 H14 Mg3 O13 -","- C40 H56 Mg12 O52 -","4","1","","Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]","Inorganic Chemistry","2006","45","14","5521","5528","10.1021/ic060543v","","x-ray","0.71073","MoKα","","0.0359","0.032","","","0.097","0.102","","","","","","1.179","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332582","11.3805","0.0004","9.8406","0.0003","14.5057","0.0005","90","","91.429","0.002","90","","1624","0.09","293","2","100","2","","","","","","","Synthesized","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 Mg3 O12.5 -","- C8 H11 Mg3 O12.5 -","- C32 H44 Mg12 O50 -","4","1","","Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]","Inorganic Chemistry","2006","45","14","5521","5528","10.1021/ic060543v","","x-ray","0.71073","MoKα","","0.0628","0.0468","","","0.1294","0.1363","","","","","","1.433","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332583","11.279","0.0008","9.8339","0.0007","14.766","0.0011","90","","91.565","0.004","90","","1637.2","0.2","100","2","100","2","","","","","","","Synthesized","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Mg3 O13 -","- C9 H12 Mg3 O13 -","- C36 H48 Mg12 O52 -","4","1","","Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]","Inorganic Chemistry","2006","45","14","5521","5528","10.1021/ic060543v","","x-ray","0.71073","MoKα","","0.051","0.0433","","","0.1173","0.1213","","","","","","1.154","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332584","11.3762","0.001","9.9831","0.0009","15.0358","0.0013","90","","91.203","0.005","90","","1707.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Mg3 O12 -","- C12 H12 Mg3 O12 -","- C48 H48 Mg12 O48 -","4","1","","Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]","Inorganic Chemistry","2006","45","14","5521","5528","10.1021/ic060543v","","x-ray","0.71073","MoKα","","0.0477","0.0348","","","0.0825","0.0919","","","","","","1.043","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332585","11.2962","0.0003","9.8184","0.0003","14.5847","0.0004","90","","91.662","0.001","90","","1616.92","0.08","100","2","100","2","","","","","","","Synthesized","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Mg3 O13 -","- C8 H12 Mg3 O13 -","- C32 H48 Mg12 O52 -","4","1","","Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]","Inorganic Chemistry","2006","45","14","5521","5528","10.1021/ic060543v","","x-ray","0.71073","MoKα","","0.0444","0.0411","","","0.1033","0.1044","","","","","","1.295","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332586","11.2888","0.0007","9.8179","0.0006","14.5465","0.0007","90","","91.622","0.003","90","","1611.58","0.16","100","2","100","2","","","","","","","Synthesized","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Mg3 O13 -","- C7.036 H6 Mg3 O13.036 -","- C28.144 H24 Mg12 O52.144 -","4","1","","Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]","Inorganic Chemistry","2006","45","14","5521","5528","10.1021/ic060543v","","x-ray","0.71073","MoKα","","0.0469","0.0407","","","0.123","0.127","","","","","","1.129","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332587","6.8015","0.0002","6.8015","0.0002","9.2196","0.0006","90","","90","","90","","426.5","0.03","100","2","100","2","","","","","","","synthesized","4","P 43 21 2","P 4nw 2abw","96","","","","- C2 H2 Ca O4 -","- C2 H2 Ca O4 -","- C8 H8 Ca4 O16 -","4","0.5","","Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]","Inorganic Chemistry","2006","45","14","5521","5528","10.1021/ic060543v","","x-ray","0.71073","MoKα","","0.0135","0.0133","","","0.035","0.035","","","","","","1.18","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332588","40.032","0.01","40.032","0.01","9.257","0.006","90","","90","","90","","14835","11","295","","295","","","","","","","","?","7","I 41/a :2","-I 4ad","88","","","","- C36 H33 B F4 O3 P2 W2 -","- C36 H30 B F4 O3 P2 W2 -","- C576 H480 B16 F64 O48 P32 W32 -","16","1","","Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Ramos, Alberto; Ruiz, Miguel A.; Sáez, David; Vaissermann, Jacqueline","M−P versus MM Bonds as Protonation Sites in the Organophosphide-Bridged Complexes [M2Cp2(μ-PR2)(μ-PR‘2)(CO)2], (M = Mo, W; R, R‘ = Ph, Et, Cy)†","Inorganic Chemistry","2006","45","17","6965","6978","10.1021/ic060544n","","","0.71069","MoKα","","","0.0485","","","0.0556","","","","","1.0343","1.0343","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4332589","17.046","0.009","20.151","0.01","25.172","0.012","90","","90","","90","","8646","7","120","0.1","120","2","","","","","","","synthesis as described","5","I b a m","-I 2 2c","72","","","","- C36 H55 Mo2 O2 P2 -","- C36 H55 Mo2 O2 P2 -","- C288 H440 Mo16 O16 P16 -","8","0.5","","Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Ramos, Alberto; Ruiz, Miguel A.; Sáez, David; Vaissermann, Jacqueline","M−P versus MM Bonds as Protonation Sites in the Organophosphide-Bridged Complexes [M2Cp2(μ-PR2)(μ-PR‘2)(CO)2], (M = Mo, W; R, R‘ = Ph, Et, Cy)†","Inorganic Chemistry","2006","45","17","6965","6978","10.1021/ic060544n","","x-ray","0.71073","MoKα","","0.1195","0.1048","","","0.2908","0.309","","","","","","1.329","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332590","16.199","0.002","17.829","0.003","16.731","0.002","90","","112.445","0.002","90","","4466.1","1.1","120","1","293","2","","","","","","","synthesis as described","9","P 1 21/n 1","-P 2yn","14","","","","- C41 H66 B Cl2 F4 Mo2 N O P2 -","- C41 H66 B Cl2 F4 Mo2 N O P2 -","- C164 H264 B4 Cl8 F16 Mo8 N4 O4 P8 -","4","1","","Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Ramos, Alberto; Ruiz, Miguel A.; Sáez, David; Vaissermann, Jacqueline","M−P versus MM Bonds as Protonation Sites in the Organophosphide-Bridged Complexes [M2Cp2(μ-PR2)(μ-PR‘2)(CO)2], (M = Mo, W; R, R‘ = Ph, Et, Cy)†","Inorganic Chemistry","2006","45","17","6965","6978","10.1021/ic060544n","","x-ray","0.71073","MoKα","","0.1108","0.0505","","","0.1047","0.1354","","","","","","1.086","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332591","11.539","0.007","17.452","0.01","19.755","0.012","90","","92.866","0.011","90","","3973","4","120","0.1","120","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H57 B Cl2 F4 Mo2 O P2 -","- C36 H57 B Cl2 F4 Mo2 O P2 -","- C144 H228 B4 Cl8 F16 Mo8 O4 P8 -","4","1","","Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Ramos, Alberto; Ruiz, Miguel A.; Sáez, David; Vaissermann, Jacqueline","M−P versus MM Bonds as Protonation Sites in the Organophosphide-Bridged Complexes [M2Cp2(μ-PR2)(μ-PR‘2)(CO)2], (M = Mo, W; R, R‘ = Ph, Et, Cy)†","Inorganic Chemistry","2006","45","17","6965","6978","10.1021/ic060544n","","x-ray","0.71073","MoKα","","0.1477","0.0856","","","0.1932","0.2181","","","","","","0.97","","","","has coordinates,has disorder","179428","2020-10-21","18:00:00",""
"4332592","11.6017","0.0009","17.9435","0.0013","12.0775","0.0009","90","","102.743","0.001","90","","2452.3","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N10 O4 V -","- C22 H18 N10 O4 V -","- C88 H72 N40 O16 V4 -","4","1","","Less, Gregory B.; Ockwig, Nathan W.; Rasmussen, Paul G.; Smith, Gary D.; Keller, Laura M.; Drach, John C.","Vanadium Complex of 2-(2‘-Pyridyl)-4,5-dicyanoimidazole Showing Spermicidal and Cytotoxic Properties","Inorganic Chemistry","2006","45","18","7105","7110","10.1021/ic060545f","","","0.71073","MoKα","","0.0673","0.0545","","","0.1133","0.1191","","","","","","1.134","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332593","10.0228","0.0019","10.0228","0.0019","16.583","0.006","90","","90","","90","","1665.9","0.8","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C7 H4 N O6 Zn -","- C7 H4 N O6 Zn -","- C56 H32 N8 O48 Zn8 -","8","1","","Gao, Hong-Ling; Yi, Long; Zhao, Bin; Zhao, Xiao-Qing; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis and Characterization of Metal−Organic Frameworks Based on 4-Hydroxypyridine-2,6-dicarboxylic Acid and Pyridine-2,6-dicarboxylic Acid Ligands","Inorganic Chemistry","2006","45","15","5980","5988","10.1021/ic060550j","","","0.71073","MoKα","","0.0455","0.0399","","","0.0939","0.0963","","","","","","1.108","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332594","13.252","0.004","9.769","0.003","13.174","0.004","90","","96.259","0.006","90","","1695.3","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H6 N O5.5 Zn -","- C7 H6 N O5.5 Zn -","- C56 H48 N8 O44 Zn8 -","8","1","","Gao, Hong-Ling; Yi, Long; Zhao, Bin; Zhao, Xiao-Qing; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis and Characterization of Metal−Organic Frameworks Based on 4-Hydroxypyridine-2,6-dicarboxylic Acid and Pyridine-2,6-dicarboxylic Acid Ligands","Inorganic Chemistry","2006","45","15","5980","5988","10.1021/ic060550j","","","0.71073","MoKα","","0.0709","0.0588","","","0.1725","0.1831","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332595","9.673","0.003","13.622","0.004","22.292","0.006","90","","93.103","0.004","90","","2933","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N3 Nd2 O21 -","- C21 H21 N3 Nd2 O21 -","- C84 H84 N12 Nd8 O84 -","4","1","","Gao, Hong-Ling; Yi, Long; Zhao, Bin; Zhao, Xiao-Qing; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis and Characterization of Metal−Organic Frameworks Based on 4-Hydroxypyridine-2,6-dicarboxylic Acid and Pyridine-2,6-dicarboxylic Acid Ligands","Inorganic Chemistry","2006","45","15","5980","5988","10.1021/ic060550j","","","0.71073","MoKα","","0.0329","0.023","","","0.0641","0.0753","","","","","","1.157","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332596","11.026","0.014","17.54","0.02","13.472","0.018","90","","100.93","0.02","90","","2558","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N3 Nd2 O15.5 -","- C21 H9 N3 Nd2 O15.5 -","- C84 H36 N12 Nd8 O62 -","4","1","","Gao, Hong-Ling; Yi, Long; Zhao, Bin; Zhao, Xiao-Qing; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis and Characterization of Metal−Organic Frameworks Based on 4-Hydroxypyridine-2,6-dicarboxylic Acid and Pyridine-2,6-dicarboxylic Acid Ligands","Inorganic Chemistry","2006","45","15","5980","5988","10.1021/ic060550j","","","0.71073","MoKα","","0.0484","0.0371","","","0.0937","0.1033","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332597","9.98","0.003","7.562","0.002","15.522","0.004","90","","104.967","0.005","90","","1131.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Gd N O9 -","- C7 H10 Gd N O9 -","- C28 H40 Gd4 N4 O36 -","4","1","","Gao, Hong-Ling; Yi, Long; Zhao, Bin; Zhao, Xiao-Qing; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis and Characterization of Metal−Organic Frameworks Based on 4-Hydroxypyridine-2,6-dicarboxylic Acid and Pyridine-2,6-dicarboxylic Acid Ligands","Inorganic Chemistry","2006","45","15","5980","5988","10.1021/ic060550j","","","0.71073","MoKα","","0.0235","0.0205","","","0.0507","0.0527","","","","","","1.078","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332598","10.906","0.003","17.443","0.005","13.201","0.004","90","","101.627","0.004","90","","2459.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl0 Gd2 N3 O16 -","- C21 H15 Gd2 N3 O16 -","- C84 H60 Gd8 N12 O64 -","4","1","","Gao, Hong-Ling; Yi, Long; Zhao, Bin; Zhao, Xiao-Qing; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis and Characterization of Metal−Organic Frameworks Based on 4-Hydroxypyridine-2,6-dicarboxylic Acid and Pyridine-2,6-dicarboxylic Acid Ligands","Inorganic Chemistry","2006","45","15","5980","5988","10.1021/ic060550j","","","0.71073","MoKα","","0.0216","0.0177","","","0.0396","0.0407","","","","","","1.095","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332599","9.907","0.003","7.542","0.002","15.429","0.004","90","","105.236","0.004","90","","1112.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Dy N O9 -","- C7 H10 Dy N O9 -","- C28 H40 Dy4 N4 O36 -","4","1","","Gao, Hong-Ling; Yi, Long; Zhao, Bin; Zhao, Xiao-Qing; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis and Characterization of Metal−Organic Frameworks Based on 4-Hydroxypyridine-2,6-dicarboxylic Acid and Pyridine-2,6-dicarboxylic Acid Ligands","Inorganic Chemistry","2006","45","15","5980","5988","10.1021/ic060550j","","","0.71073","MoKα","","0.0234","0.019","","","0.0464","0.0485","","","","","","1.165","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332600","8.9725","0.0015","14.537","0.002","21.71","0.004","90","","90.903","0.003","90","","2831.4","0.8","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Er2 N3 O21 -","- C21 H21 Er2 N3 O21 -","- C84 H84 Er8 N12 O84 -","4","1","","Gao, Hong-Ling; Yi, Long; Zhao, Bin; Zhao, Xiao-Qing; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis and Characterization of Metal−Organic Frameworks Based on 4-Hydroxypyridine-2,6-dicarboxylic Acid and Pyridine-2,6-dicarboxylic Acid Ligands","Inorganic Chemistry","2006","45","15","5980","5988","10.1021/ic060550j","","","0.71073","MoKα","","0.0404","0.0291","","","0.0622","0.0664","","","","","","1.004","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332601","9.874","0.009","7.559","0.007","15.387","0.014","90","","105.509","0.011","90","","1106.6","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Er N O9 -","- C7 H10 Er N O9 -","- C28 H40 Er4 N4 O36 -","4","1","","Gao, Hong-Ling; Yi, Long; Zhao, Bin; Zhao, Xiao-Qing; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis and Characterization of Metal−Organic Frameworks Based on 4-Hydroxypyridine-2,6-dicarboxylic Acid and Pyridine-2,6-dicarboxylic Acid Ligands","Inorganic Chemistry","2006","45","15","5980","5988","10.1021/ic060550j","","","0.71073","MoKα","","0.0527","0.0466","","","0.156","0.1627","","","","","","1.042","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332602","13.749","0.002","13.749","0.002","16.889","0.003","90","","90","","120","","2764.9","0.8","200","","200","","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","[Cd3(L)3(CO3)](ClO4)4-2(CH3CN)","","- C32 H63 Cd3 Cl4 N17 O19 -","- C32 H62.94 Cd3 Cl4 N17 O19 -","- C64 H125.88 Cd6 Cl8 N34 O38 -","2","0.333333","","Kong, Ling-Yan; Zhu, Hui-Fang; Huang, Yong-Qing; Okamura, Taka-aki; Lu, Xi-Hong; Song, You; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(II) and Copper(II) Complexes with Imidazole-Containing Tripodal Polyamine Ligands: pH and Anion Effects on Carbon Dioxide Fixation and Assembling","Inorganic Chemistry","2006","45","20","8098","8107","10.1021/ic0605524","","","0.71075","MoKα","","0.0495","0.043","","","0.1006","0.1044","","","","","","1.063","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332603","9.2743","0.0014","7.6104","0.0011","11.8112","0.0018","90","","104.755","0.003","90","","806.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H21 Cd Cl2 N5 O5 -","- C9 H19 Cd Cl2 N5 O5 -","- C18 H38 Cd2 Cl4 N10 O10 -","2","1","","Kong, Ling-Yan; Zhu, Hui-Fang; Huang, Yong-Qing; Okamura, Taka-aki; Lu, Xi-Hong; Song, You; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(II) and Copper(II) Complexes with Imidazole-Containing Tripodal Polyamine Ligands: pH and Anion Effects on Carbon Dioxide Fixation and Assembling","Inorganic Chemistry","2006","45","20","8098","8107","10.1021/ic0605524","","","0.71073","MoKα","","0.0801","0.0682","","","0.1646","0.1752","","","","","","1.1","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332604","10.607","0.006","9.852","0.006","16.643","0.01","90","","90.37","0.05","90","","1739.2","1.8","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Cu(L)(H2O)](ClO4)2","","- C9 H21 Cl2 Cu N5 O9 -","- C9 H21 Cl2 Cu N5 O9 -","- C36 H84 Cl8 Cu4 N20 O36 -","4","1","","Kong, Ling-Yan; Zhu, Hui-Fang; Huang, Yong-Qing; Okamura, Taka-aki; Lu, Xi-Hong; Song, You; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(II) and Copper(II) Complexes with Imidazole-Containing Tripodal Polyamine Ligands: pH and Anion Effects on Carbon Dioxide Fixation and Assembling","Inorganic Chemistry","2006","45","20","8098","8107","10.1021/ic0605524","","","0.71075","MoKα","","0.0407","0.0295","","","0.0667","0.0691","","","","","","0.936","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332605","22.477","0.003","22.477","0.003","6.4602","0.0011","90","","90","","90","","3263.8","0.8","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C9 H21.5 Cl Cu N6 O4.25 -","- C36 H76 Cl4 Cu4 N24 O17 -","- C72 H152 Cl8 Cu8 N48 O34 -","2","0.25","","Kong, Ling-Yan; Zhu, Hui-Fang; Huang, Yong-Qing; Okamura, Taka-aki; Lu, Xi-Hong; Song, You; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(II) and Copper(II) Complexes with Imidazole-Containing Tripodal Polyamine Ligands: pH and Anion Effects on Carbon Dioxide Fixation and Assembling","Inorganic Chemistry","2006","45","20","8098","8107","10.1021/ic0605524","","","0.71073","MoKα","","0.1026","0.0603","","","0.137","0.1549","","","","","","1.032","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332606","11.103","0.002","11.57","0.002","21.84","0.004","90","","92.99","0.03","90","","2801.8","0.9","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H34 F20 N4 P2 Ru -","- C62 H34 F20 N4 P2 Ru -","- C124 H68 F40 N8 P4 Ru2 -","2","0.5","","Huang, Jie-Sheng; Yu, Guang-Ao; Xie, Jin; Zhu, Nianyong; Che, Chi-Ming","One-Pot Synthesis of Metal Primary Phosphine Complexes from OPCl2R or PCl2R. Isolation and Characterization of Primary Alkylphosphine Complexes of a Metalloporphyrin","Inorganic Chemistry","2006","45","15","5724","5726","10.1021/ic060553w","","","0.71073","MoKα","","0.059","0.0364","","","0.096","0.1026","","","","","","1.084","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332607","11.194","0.002","11.597","0.002","14.722","0.003","78.01","0.03","78.97","0.03","72.7","0.03","1767.6","0.7","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H94 N4 P2 Ru -","- C78 H94 N4 P2 Ru -","- C78 H94 N4 P2 Ru -","1","0.5","","Huang, Jie-Sheng; Yu, Guang-Ao; Xie, Jin; Zhu, Nianyong; Che, Chi-Ming","One-Pot Synthesis of Metal Primary Phosphine Complexes from OPCl2R or PCl2R. Isolation and Characterization of Primary Alkylphosphine Complexes of a Metalloporphyrin","Inorganic Chemistry","2006","45","15","5724","5726","10.1021/ic060553w","","","0.71073","MoKα","","0.0465","0.0403","","","0.117","0.12","","","","","","1.045","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332608","10.283","0.006","12.198","0.003","12.236","0.004","83.05","0.03","78.77","0.03","69.06","0.04","1403.8","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cr4 N2 O22 Pb2 -","- C46 H46 Cr4 N2 O22 Pb2 -","- C46 H46 Cr4 N2 O22 Pb2 -","1","0.5","","Hsu, Miao-Hsing; Chen, Rung-Tsang; Sheu, Wen-Shyan; Shieh, Minghuey","Carbon Dioxide Fixation by an Unprecedented Hydroxo Lead−Chromium Carbonyl Complex: Synthesis, Reactivity, and Theoretical Calculations","Inorganic Chemistry","2006","45","17","6740","6747","10.1021/ic060554o","","","0.71073","Mokα","","0.0409","0.0333","","","0.0875","0.0907","","","","","","1.112","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332609","12.088","0.008","23.971","0.0011","12.832","0.005","90","","90.49","0.04","90","","3718","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 Cr2 N2 O13 Pb -","- C31 H32 Cr2 N2 O13 Pb -","- C124 H128 Cr8 N8 O52 Pb4 -","4","1","","Hsu, Miao-Hsing; Chen, Rung-Tsang; Sheu, Wen-Shyan; Shieh, Minghuey","Carbon Dioxide Fixation by an Unprecedented Hydroxo Lead−Chromium Carbonyl Complex: Synthesis, Reactivity, and Theoretical Calculations","Inorganic Chemistry","2006","45","17","6740","6747","10.1021/ic060554o","","","0.71073","Mokα","","0.1615","0.0471","","","0.1077","0.1424","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332610","22.5661","0.0005","10.465","0.0002","22.5559","0.0006","90","","90.3523","0.0009","90","","5326.6","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H40 Cr4 N2 O23 Pb2 -","- C37 H20 Cr4 N2 O23 Pb2 -","- C148 H80 Cr16 N8 O92 Pb8 -","4","0.5","","Hsu, Miao-Hsing; Chen, Rung-Tsang; Sheu, Wen-Shyan; Shieh, Minghuey","Carbon Dioxide Fixation by an Unprecedented Hydroxo Lead−Chromium Carbonyl Complex: Synthesis, Reactivity, and Theoretical Calculations","Inorganic Chemistry","2006","45","17","6740","6747","10.1021/ic060554o","","","0.71073","MoKα","","0.0708","0.0399","","","0.0974","0.1316","","","","","","1.069","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332611","8.89","0.002","7.6605","0.0008","10.6695","0.0013","90","","103.541","0.015","90","","706.4","0.2","110","","110","","","","","","","","?","4","P 1 21/m 1","-P 2yb","11","","","","- C7 Mo3 N2 O11 -","- C7 Mo3 N2 O11 -","- C14 Mo6 N4 O22 -","2","0.5","","Veltman, Thomas R.; Stover, Adam K.; Narducci Sarjeant, Amy; Ok, Kang Min; Halasyamani, P. Shiv; Norquist, Alexander J.","Directed Synthesis of Noncentrosymmetric Molybdates Using Composition Space Analysis","Inorganic Chemistry","2006","45","14","5529","5537","10.1021/ic060558t","","","0.71073","MoKα","","0.056","0.0326","","0.0925","0.0743","0.0743","","","","","","0.9099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332612","12.7611","0.0008","16.2554","0.0012","15.6322","0.0011","90","","90","","90","","3242.7","0.4","110","","110","2","","","","","","","?","5","P b c n","-P 2n 2ab","60","","","","- C14 H34 Mo8 N4 O27 -","- C14 H34 Mo8 N4 O27 -","- C56 H136 Mo32 N16 O108 -","4","0.5","","Veltman, Thomas R.; Stover, Adam K.; Narducci Sarjeant, Amy; Ok, Kang Min; Halasyamani, P. Shiv; Norquist, Alexander J.","Directed Synthesis of Noncentrosymmetric Molybdates Using Composition Space Analysis","Inorganic Chemistry","2006","45","14","5529","5537","10.1021/ic060558t","","","0.71073","MoKα","","0.0348","0.021","","0.044","0.0426","0.0426","","","","","","0.8332","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332613","7.9547","0.0003","11.0404","0.0005","20.6373","0.0007","90","","94.684","0.003","90","","1806.38","0.12","110","","110","","","","","","","","?","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H40 Mo8 N4 O30 -","- C14 H40 Mo8 N4 O30 -","- C28 H80 Mo16 N8 O60 -","2","0.5","","Veltman, Thomas R.; Stover, Adam K.; Narducci Sarjeant, Amy; Ok, Kang Min; Halasyamani, P. Shiv; Norquist, Alexander J.","Directed Synthesis of Noncentrosymmetric Molybdates Using Composition Space Analysis","Inorganic Chemistry","2006","45","14","5529","5537","10.1021/ic060558t","","","0.71073","MoKα","","0.033","0.0208","","0.0483","0.044","0.044","","","","","","0.9495","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332614","7.2672","0.0003","11.636","0.0005","19.6965","0.0008","90","","99.852","0.004","90","","1641","0.12","110","","110","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C14 H32 Mo8 N4 O26 -","- C14 H32 Mo8 N4 O26 -","- C28 H64 Mo16 N8 O52 -","2","1","","Veltman, Thomas R.; Stover, Adam K.; Narducci Sarjeant, Amy; Ok, Kang Min; Halasyamani, P. Shiv; Norquist, Alexander J.","Directed Synthesis of Noncentrosymmetric Molybdates Using Composition Space Analysis","Inorganic Chemistry","2006","45","14","5529","5537","10.1021/ic060558t","","","0.71073","MoKα","","0.0318","0.0211","","0.0412","0.0382","0.0382","","","","","","0.8085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332615","7.2685","0.0003","11.6423","0.0005","19.6887","0.0009","90","","99.948","0.004","90","","1641.05","0.12","110","","110","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C14 H32 Mo8 N4 O26 -","- C14 H32 Mo8 N4 O26 -","- C28 H64 Mo16 N8 O52 -","2","1","","Veltman, Thomas R.; Stover, Adam K.; Narducci Sarjeant, Amy; Ok, Kang Min; Halasyamani, P. Shiv; Norquist, Alexander J.","Directed Synthesis of Noncentrosymmetric Molybdates Using Composition Space Analysis","Inorganic Chemistry","2006","45","14","5529","5537","10.1021/ic060558t","","","0.71073","MoKα","","0.0333","0.0225","","0.0477","0.0438","0.0438","","","","","","0.8776","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332616","43.6681","0.0013","43.6681","0.0013","28.6224","0.0007","90","","90","","120","","47268","2","173.1","","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C360 H642 Cl18 La18 N72 O177 -","- C360 H432 Cl16 La18 N72 O165 -","- C1080 H1296 Cl48 La54 N216 O495 -","3","0.333333","","Omata, Kenji; Hoshi, Nagayasu; Kabuto, Kuninobu; Kabuto, Chizuko; Sasaki, Yoichi","Largest Discrete Supramolecular Architecture Based on a Lanthanide Ion: [Lanthanum(III)18{N,N‘-bis(2-pyridylmethyl)-N,N‘-1,2-ethanediylbis(d-alaninate)}18(H2O)36]18+","Inorganic Chemistry","2006","45","14","5263","5265","10.1021/ic0605625","","","0.7107","MoKα","","0.0557","0.0541","","","0.1488","0.1501","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332617","11.523","0.0015","14.7026","0.0018","12.0369","0.0015","90","","93.025","0.002","90","","2036.4","0.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cu2 I2 N6 -","- C18 H12 Cu2 I2 N6 -","- C72 H48 Cu8 I8 N24 -","4","0.5","","Zhou, Xiao-Ping; Li, Dan; Zheng, Shao-Liang; Zhang, Xuanjun; Wu, Tao","Cu(I) or Cu(I)−Cu(II) Mixed-Valence Complexes of 2,4,6-Tri(2-pyridyl)-1,3,5-triazine: Syntheses, Structures, and Theoretical Study of the Hydrolytic Reaction Mechanism","Inorganic Chemistry","2006","45","18","7119","7125","10.1021/ic060564p","","","0.71073","MoKα","","0.0414","0.034","","","0.0774","0.0814","","","","","","1.03","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332618","7.062","0.0007","12.5728","0.0012","13.6359","0.0013","68.499","0.001","80.147","0.002","82.043","0.002","1106.06","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cu3 I3 N6 -","- C18 H12 Cu3 I3 N6 -","- C36 H24 Cu6 I6 N12 -","2","1","","Zhou, Xiao-Ping; Li, Dan; Zheng, Shao-Liang; Zhang, Xuanjun; Wu, Tao","Cu(I) or Cu(I)−Cu(II) Mixed-Valence Complexes of 2,4,6-Tri(2-pyridyl)-1,3,5-triazine: Syntheses, Structures, and Theoretical Study of the Hydrolytic Reaction Mechanism","Inorganic Chemistry","2006","45","18","7119","7125","10.1021/ic060564p","","","0.71073","MoKα","","0.0868","0.0654","","","0.1598","0.173","","","","","","1.014","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332619","8.8716","0.0006","10.2789","0.0007","12.7502","0.0009","68.627","0.001","77.357","0.001","80.004","0.001","1050.83","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Cl2 Cu4 I4 N12 -","- C36 H24 Cl2 Cu4 I4 N12 -","- C36 H24 Cl2 Cu4 I4 N12 -","1","0.5","","Zhou, Xiao-Ping; Li, Dan; Zheng, Shao-Liang; Zhang, Xuanjun; Wu, Tao","Cu(I) or Cu(I)−Cu(II) Mixed-Valence Complexes of 2,4,6-Tri(2-pyridyl)-1,3,5-triazine: Syntheses, Structures, and Theoretical Study of the Hydrolytic Reaction Mechanism","Inorganic Chemistry","2006","45","18","7119","7125","10.1021/ic060564p","","","0.71073","MoKα","","0.0335","0.0289","","","0.0749","0.0846","","","","","","1.076","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332620","12.3074","0.0015","14.3586","0.0017","6.8007","0.0009","90","","90","","90","","1201.8","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Br Cu N3 O2 -","- C12 H8 Br Cu N3 O2 -","- C48 H32 Br4 Cu4 N12 O8 -","4","0.5","","Zhou, Xiao-Ping; Li, Dan; Zheng, Shao-Liang; Zhang, Xuanjun; Wu, Tao","Cu(I) or Cu(I)−Cu(II) Mixed-Valence Complexes of 2,4,6-Tri(2-pyridyl)-1,3,5-triazine: Syntheses, Structures, and Theoretical Study of the Hydrolytic Reaction Mechanism","Inorganic Chemistry","2006","45","18","7119","7125","10.1021/ic060564p","","","0.71073","MoKα","","0.073","0.0428","","","0.1113","0.1302","","","","","","1.067","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332621","12.473","0.0011","14.4913","0.0013","6.9476","0.0006","90","","90","","90","","1255.78","0.19","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cu I N3 O2 -","- C12 H8 Cu I N3 O2 -","- C48 H32 Cu4 I4 N12 O8 -","4","0.5","","Zhou, Xiao-Ping; Li, Dan; Zheng, Shao-Liang; Zhang, Xuanjun; Wu, Tao","Cu(I) or Cu(I)−Cu(II) Mixed-Valence Complexes of 2,4,6-Tri(2-pyridyl)-1,3,5-triazine: Syntheses, Structures, and Theoretical Study of the Hydrolytic Reaction Mechanism","Inorganic Chemistry","2006","45","18","7119","7125","10.1021/ic060564p","","","0.71073","MoKα","","0.0432","0.0358","","","0.0773","0.0811","","","","","","1.194","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332622","7.1098","0.0012","8.9256","0.0016","13.823","0.002","90","","93.57","0.009","90","","875.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N O9 Re -","- C15 H15.917 N O9 Re -","- C30 H31.834 N2 O18 Re2 -","2","1","","Ferreira, Cara L.; Ewart, Charles B.; Bayly, Simon R.; Patrick, Brian O.; Steele, Jennifer; Adam, Michael J.; Orvig, Chris","Glucosamine Conjugates of Tricarbonylcyclopentadienyl Rhenium(I) and Technetium(I) Cores","Inorganic Chemistry","2006","45","17","6979","6987","10.1021/ic0605672","","","0.71069","MoKα","","0.0312","0.023","","","0.0373","0.0385","","","","","","0.765","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332623","8.5247","0.0003","10.2004","0.0003","10.8898","0.0004","63.722","0.002","71.281","0.002","81.148","0.002","804.08","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Er N O8 -","- C15 H15 Er N O8 -","- C30 H30 Er2 N2 O16 -","2","1","","Chen, Banglin; Yang, Yu; Zapata, Fatima; Qian, Guodong; Luo, Yongshi; Zhang, Jiahua; Lobkovsky, Emil B.","Enhanced Near-Infrared−Luminescence in an Erbium Tetrafluoroterephthalate Framework","Inorganic Chemistry","2006","45","22","8882","8886","10.1021/ic060568u","","","0.71073","MoKα","","0.0257","0.0198","","","0.0431","0.044","","","","","","1.079","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332624","11.671","0.0018","11.8916","0.0019","14.305","0.002","110.633","0.007","99.92","0.006","101.351","0.006","1757.4","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 Er2 F12 N2 O15 -","- C30 H16 Er2 F12 N2 O15 -","- C60 H32 Er4 F24 N4 O30 -","2","1","","Chen, Banglin; Yang, Yu; Zapata, Fatima; Qian, Guodong; Luo, Yongshi; Zhang, Jiahua; Lobkovsky, Emil B.","Enhanced Near-Infrared−Luminescence in an Erbium Tetrafluoroterephthalate Framework","Inorganic Chemistry","2006","45","22","8882","8886","10.1021/ic060568u","","","0.71073","MoKα","","0.0309","0.0266","","","0.0753","0.0768","","","","","","1.129","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332625","16.645","0.003","17.692","0.004","25.828","0.005","90","","98.79","0.03","90","","7517","3","143","","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H59 Cl2 Cr Mn N15 O -","- C96 H59 Cl2 Cr Mn N15 O -","- C384 H236 Cl8 Cr4 Mn4 N60 O4 -","4","1","","Donzello, Maria Pia; Bartolino, Laura; Ercolani, Claudio; Rizzoli, Corrado","A Rare μ-Hydroxo-Bridged Species. Synthesis, Structure, and Properties of μ-Hydroxo(tetraphenylporphyrinatomanganese(III))(phthalocyaninato(azido)chromium(III)), [(TPP)Mn−O(H)−CrPc(N3)]","Inorganic Chemistry","2006","45","17","6988","6995","10.1021/ic060574q","","","0.71073","MoKα","","0.1333","0.086","","","0.2433","0.2671","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332626","14.357","0.002","6.2457","0.0009","19.192","0.003","90","","101.598","0.003","90","","1685.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N3 P2 -","- C18 H21 N3 P2 -","- C72 H84 N12 P8 -","4","1","","Wong, Gene W.; Harkreader, Jennifer L.; Mebi, Charles A.; Frost, Brian J.","Synthesis and Coordination Chemistry of a Novel Bidentate Phosphine: 6-(Diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane (PTA-PPh2)","Inorganic Chemistry","2006","45","17","6748","6755","10.1021/ic060576a","","","0.71073","MoKα","","0.097","0.0659","","","0.1791","0.1949","","","","","","1.072","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332627","13.9889","0.0005","11.6569","0.0004","14.086","0.0005","90","","100.685","0.001","90","","2257.14","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N3 O4 P2 W -","- C22 H21 N3 O4 P2 W -","- C88 H84 N12 O16 P8 W4 -","4","1","","Wong, Gene W.; Harkreader, Jennifer L.; Mebi, Charles A.; Frost, Brian J.","Synthesis and Coordination Chemistry of a Novel Bidentate Phosphine: 6-(Diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane (PTA-PPh2)","Inorganic Chemistry","2006","45","17","6748","6755","10.1021/ic060576a","","","0.71073","MoKα","","0.0565","0.0376","","","0.0755","0.0794","","","","","","1.022","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332628","14.0052","0.0007","11.7148","0.0006","14.0604","0.0007","90","","101.2","0.001","90","","2262.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 Mo N3 O4 P2 -","- C22 H21 Mo N3 O4 P2 -","- C88 H84 Mo4 N12 O16 P8 -","4","1","","Wong, Gene W.; Harkreader, Jennifer L.; Mebi, Charles A.; Frost, Brian J.","Synthesis and Coordination Chemistry of a Novel Bidentate Phosphine: 6-(Diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane (PTA-PPh2)","Inorganic Chemistry","2006","45","17","6748","6755","10.1021/ic060576a","","","0.71073","MoKα","","0.0278","0.0253","","","0.0723","0.0738","","","","","","1.082","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332629","10.015","0.002","12.534","0.003","11.605","0.002","90","","110.847","0.003","90","","1361.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H27 N3 O4 P2 W -","- C28 H27 N3 O4 P2 W -","- C56 H54 N6 O8 P4 W2 -","2","0.5","","Wong, Gene W.; Harkreader, Jennifer L.; Mebi, Charles A.; Frost, Brian J.","Synthesis and Coordination Chemistry of a Novel Bidentate Phosphine: 6-(Diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane (PTA-PPh2)","Inorganic Chemistry","2006","45","17","6748","6755","10.1021/ic060576a","","","0.71073","MoKα","","0.054","0.0387","","","0.0721","0.0766","","","","","","0.983","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332630","21.2016","0.0014","7.05","0.0005","6.7642","0.0004","90","","90","","90","","1011.05","0.11","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C16 H24 N6 O4 P2 W -","- C16 H24 N6 O4 P2 W -","- C32 H48 N12 O8 P4 W2 -","2","0.5","","Wong, Gene W.; Harkreader, Jennifer L.; Mebi, Charles A.; Frost, Brian J.","Synthesis and Coordination Chemistry of a Novel Bidentate Phosphine: 6-(Diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane (PTA-PPh2)","Inorganic Chemistry","2006","45","17","6748","6755","10.1021/ic060576a","","","0.71073","MoKα","","0.0272","0.027","","","0.0688","0.0689","","","","","","1.184","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332631","11.789","0.0005","24.5236","0.0009","7.1903","0.0003","90","","94.935","0.002","90","","2071.07","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 B9 Na O8 Re -","- C12 H17 B9 Na O8 Re -","- C48 H68 B36 Na4 O32 Re4 -","4","1","","Green, Andrew E. C.; Causey, Patrick W.; Louie, Anika S.; Armstrong, Andrea F.; Harrington, Laura E.; Valliant, John F.","Microwave-Assisted Synthesis of 3,1,2- and 2,1,8-Re(I) and99mTc(I)−Metallocarborane Complexes","Inorganic Chemistry","2006","45","15","5727","5729","10.1021/ic0605928","","","0.71073","MoKα","","0.0814","0.0539","","","0.0984","0.1024","","","","","","1.551","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332632","14.652","0.007","16.056","0.008","23.351","0.007","90","","106.01","0.02","90","","5280","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H52 Cl3 Cu2 N11 O19 -","- C40 H39 Cu2 N11 O2 -","- C160 H156 Cu8 N44 O8 -","4","1","","Li, Lei; Murthy, Narasimha N.; Telser, Joshua; Zakharov, Lev. N.; Yap, Glenn P. A.; Rheingold, Arnold L.; Karlin, Kenneth D.; Rokita, Steven E.","Targeted Guanine Oxidation by a Dinuclear Copper(II) Complex at Single Stranded/Double Stranded DNA Junctions","Inorganic Chemistry","2006","45","18","7144","7159","10.1021/ic0605930","","","0.71073","MoKα","","0.1003","0.076","","","0.2013","0.2098","","","","","","1.032","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332633","16.66","0.008","9.866","0.005","16.495","0.008","90","","94.245","0.007","90","","2704","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Cl2 Cu N3 O11 -","- C22 H25 Cl2 Cu N3 O11 -","- C88 H100 Cl8 Cu4 N12 O44 -","4","1","","Li, Lei; Murthy, Narasimha N.; Telser, Joshua; Zakharov, Lev. N.; Yap, Glenn P. A.; Rheingold, Arnold L.; Karlin, Kenneth D.; Rokita, Steven E.","Targeted Guanine Oxidation by a Dinuclear Copper(II) Complex at Single Stranded/Double Stranded DNA Junctions","Inorganic Chemistry","2006","45","18","7144","7159","10.1021/ic0605930","","","0.71073","MoKα","","0.0503","0.0422","","","0.1058","0.1111","","","","","","1.052","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332634","18.1565","0.0008","14.347","0.0006","28.0808","0.0012","90","","105.608","0.004","90","","7045.1","0.5","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H74 Cl2 Cu2 N6 O10 P2 -","- C74 H74 Cl2 Cu2 N6 O10 P2 -","- C296 H296 Cl8 Cu8 N24 O40 P8 -","4","1","","Li, Lei; Sarjeant, Amy A. Narducci; Karlin, Kenneth D.","Reactivity Study of a Hydroperoxodicopper(II) Complex: Hydroxylation, Dehydrogenation, and Ligand Cross-Link Reactions","Inorganic Chemistry","2006","45","18","7160","7172","10.1021/ic060598x","","","0.71073","MoKα","","0.0756","0.0505","","","0.1283","0.143","","","","","","1.085","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332635","25.968","0.003","23.836","0.003","17.8162","0.0017","90","","131.138","0.013","90","","8305","2","110","","110","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cl2 Cu3 F12 N10 O2 P2 -","- C56 H56 Cl2 Cu3 F12 N10 O2 P2 -","- C224 H224 Cl8 Cu12 F48 N40 O8 P8 -","4","0.5","","Li, Lei; Sarjeant, Amy A. Narducci; Karlin, Kenneth D.","Reactivity Study of a Hydroperoxodicopper(II) Complex: Hydroxylation, Dehydrogenation, and Ligand Cross-Link Reactions","Inorganic Chemistry","2006","45","18","7160","7172","10.1021/ic060598x","","","0.71073","MoKα","","0.1236","0.0587","","","0.1719","0.1866","","","","","","0.943","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332636","11.9993","0.001","13.408","0.0011","16.1375","0.0017","106.197","0.008","109.379","0.009","100.108","0.007","2246.7","0.4","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H90 Cl4 Cu4 N18 O20 -","- C80 H90 Cl4 Cu4 N18 O20 -","- C80 H90 Cl4 Cu4 N18 O20 -","1","0.5","","Li, Lei; Sarjeant, Amy A. Narducci; Karlin, Kenneth D.","Reactivity Study of a Hydroperoxodicopper(II) Complex: Hydroxylation, Dehydrogenation, and Ligand Cross-Link Reactions","Inorganic Chemistry","2006","45","18","7160","7172","10.1021/ic060598x","","","0.71073","MoKα","","0.1068","0.0523","","","0.1248","0.1401","","","","","","0.91","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332637","10.202","0.004","12.018","0.004","17.226","0.006","71.618","0.005","77.715","0.005","71.934","0.005","1889.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H49 N3 Si4 Yb -","- C33 H49 N3 Si4 Yb -","- C66 H98 N6 Si8 Yb2 -","2","1","","White, Rosemary E.; Carlson, Christin N.; Veauthier, Jacqueline M.; Simpson, Cheslan K.; Thompson, J. D.; Scott, Brian L.; Hanusa, Timothy P.; John, Kevin D.","Observation of Internal Electron Transfer in Bulky Allyl Ytterbium Complexes with Substituted Terpyridine Ligands","Inorganic Chemistry","2006","45","17","7004","7009","10.1021/ic060603x","","","0.71073","MoKα","","0.1278","0.1065","","","0.2859","0.2957","","","","","","1.069","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332638","15.952","0.004","17.643","0.004","20.902","0.005","90","","109.61","0.004","90","","5541","2","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H58 O Si4 Yb -","- C52 O Si4 Yb -","- C208 O4 Si16 Yb4 -","4","0.5","","White, Rosemary E.; Carlson, Christin N.; Veauthier, Jacqueline M.; Simpson, Cheslan K.; Thompson, J. D.; Scott, Brian L.; Hanusa, Timothy P.; John, Kevin D.","Observation of Internal Electron Transfer in Bulky Allyl Ytterbium Complexes with Substituted Terpyridine Ligands","Inorganic Chemistry","2006","45","17","7004","7009","10.1021/ic060603x","","","0.71073","MoKα","","0.1088","0.1019","","","0.3097","0.3117","","","","","","2.453","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332639","7.3055","0.001","17.923","0.004","17.977","0.004","90","","90","","90","","2353.8","0.8","102","","102","","","","","","","","local laboratory","5","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Cl2 N4 Pt -","- C10 H10 Cl2 N4 Pt -","- C80 H80 Cl16 N32 Pt8 -","8","1","","Maheshwari, Vidhi; Bhattacharyya, Debadeep; Fronczek, Frank R.; Marzilli, Patricia A.; Marzilli, Luigi G.","Chemistry of HIV-1 Virucidal Pt Complexes Having Neglected Bidentate sp2N-Donor Carrier Ligands with Linked Triazine and Pyridine Rings. Synthesis, NMR Spectral Features, Structure, and Reaction with Guanosine","Inorganic Chemistry","2006","45","18","7182","7190","10.1021/ic060605h","","","0.71073","MoKα","","0.05","0.029","","","0.055","0.06","","","","","","1.022","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332640","9.236","0.005","7.496","0.004","19.789","0.013","90","","94.312","0.018","90","","1366.2","1.4","100","","100","","","","","","","","local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N4 Pt -","- C14 H10 Cl2 N4 Pt -","- C56 H40 Cl8 N16 Pt4 -","4","1","","Maheshwari, Vidhi; Bhattacharyya, Debadeep; Fronczek, Frank R.; Marzilli, Patricia A.; Marzilli, Luigi G.","Chemistry of HIV-1 Virucidal Pt Complexes Having Neglected Bidentate sp2N-Donor Carrier Ligands with Linked Triazine and Pyridine Rings. Synthesis, NMR Spectral Features, Structure, and Reaction with Guanosine","Inorganic Chemistry","2006","45","18","7182","7190","10.1021/ic060605h","","","0.71073","MoKα","","0.111","0.062","","","0.134","0.155","","","","","","1.034","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332641","10.202","0.002","7.482","0.001","27.278","0.007","90","","93.513","0.007","90","","2078.3","0.7","100","","100","","","","","","","","local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl2 N5 Pt -","- C22 H17 Cl2 N5 Pt -","- C88 H68 Cl8 N20 Pt4 -","4","1","","Maheshwari, Vidhi; Bhattacharyya, Debadeep; Fronczek, Frank R.; Marzilli, Patricia A.; Marzilli, Luigi G.","Chemistry of HIV-1 Virucidal Pt Complexes Having Neglected Bidentate sp2N-Donor Carrier Ligands with Linked Triazine and Pyridine Rings. Synthesis, NMR Spectral Features, Structure, and Reaction with Guanosine","Inorganic Chemistry","2006","45","18","7182","7190","10.1021/ic060605h","","","0.71073","MoKα","","0.053","0.034","","","0.055","0.059","","","","","","1.05","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332642","35.253","0.005","7.8417","0.0015","13.811","0.003","90","","99.27","0.007","90","","3768.1","1.2","110","","110","","","","","","","","local laboratory","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H29.17 B2 F8 N8 O0.59 Pt -","- C40 H28 B2 F8 N8 O0.588 Pt -","- C160 H112 B8 F32 N32 O2.352 Pt4 -","4","0.5","","Maheshwari, Vidhi; Bhattacharyya, Debadeep; Fronczek, Frank R.; Marzilli, Patricia A.; Marzilli, Luigi G.","Chemistry of HIV-1 Virucidal Pt Complexes Having Neglected Bidentate sp2N-Donor Carrier Ligands with Linked Triazine and Pyridine Rings. Synthesis, NMR Spectral Features, Structure, and Reaction with Guanosine","Inorganic Chemistry","2006","45","18","7182","7190","10.1021/ic060605h","","","0.71073","MoKα","","0.068","0.033","","","0.058","0.065","","","","","","1.048","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332643","18.685","0.002","19.564","0.002","21.658","0.003","63.808","0.007","70.018","0.008","68.717","0.008","6461.8","1.4","293","2","130.15","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H244 Cl18 Cu24 Gd6 N16 O178 -","- C64 H120 Cl18 Cu24 Gd6 N16 O178 -","- C64 H120 Cl18 Cu24 Gd6 N16 O178 -","1","0.5","","Zhang, Jian-Jun; Hu, Sheng-Min; Xiang, Sheng-Chang; Sheng, Tianlu; Wu, Xin-Tao; Li, Ya-Min","Syntheses, Structures, and Properties of High-Nuclear 3d−4f Clusters with Amino Acid as Ligand: {Gd6Cu24}, {Tb6Cu26}, and {(Ln6Cu24)2Cu} (Ln= Sm, Gd)","Inorganic Chemistry","2006","45","18","7173","7181","10.1021/ic060610l","","","0.71073","MoKα","","0.0676","0.0617","","","0.1847","0.1917","","","","","","1.033","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332644","18.4045","0.0002","18.9184","0.0003","19.8178","0.0002","75.6","","88.52","","80.29","","6586.77","0.14","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H230 Cl26 Cu26 N18 Na4 O234 Tb6 -","- C36 H102.04 Cl26 Cu26 N18 Na4 O234 Tb6 -","- C36 H102.04 Cl26 Cu26 N18 Na4 O234 Tb6 -","1","0.5","","Zhang, Jian-Jun; Hu, Sheng-Min; Xiang, Sheng-Chang; Sheng, Tianlu; Wu, Xin-Tao; Li, Ya-Min","Syntheses, Structures, and Properties of High-Nuclear 3d−4f Clusters with Amino Acid as Ligand: {Gd6Cu24}, {Tb6Cu26}, and {(Ln6Cu24)2Cu} (Ln= Sm, Gd)","Inorganic Chemistry","2006","45","18","7173","7181","10.1021/ic060610l","","","0.71073","MoKα","","","0.0816","","","0.2097","0.2487","","","","","","1.133","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332645","30.1194","0.001","27.7611","0.001","29.2933","0.001","90","","93.434","0.001","90","","24449.5","1.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C154 H482 Cl20 Cu49 N26 O313 Sm12 -","- C154 H300 Cl20 Cu49 N26 O313 Sm12 -","- C308 H600 Cl40 Cu98 N52 O626 Sm24 -","2","0.5","","Zhang, Jian-Jun; Hu, Sheng-Min; Xiang, Sheng-Chang; Sheng, Tianlu; Wu, Xin-Tao; Li, Ya-Min","Syntheses, Structures, and Properties of High-Nuclear 3d−4f Clusters with Amino Acid as Ligand: {Gd6Cu24}, {Tb6Cu26}, and {(Ln6Cu24)2Cu} (Ln= Sm, Gd)","Inorganic Chemistry","2006","45","18","7173","7181","10.1021/ic060610l","","","0.71073","MoKα","","","0.0869","","","0.2169","0.3228","","","","1.141","1.141","1.163","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332646","21.0646","0.0003","12.6317","0.0002","24.6998","0.0005","90","","94.8104","0.0006","90","","6549.02","0.19","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H82 Cl2 O4 P2 Pt -","- C72 H82 Cl2 O4 P2 Pt -","- C288 H328 Cl8 O16 P8 Pt4 -","4","1","","Kotzen, Natalie; Goldberg, Israel; Lipstman, Sofia; Vigalok, Arkadi","Unexpected PtIIMigration between the Calixarene Oxygen Atoms","Inorganic Chemistry","2006","45","14","5266","5268","10.1021/ic0606126","","","0.71073","MoKα","","0.0753","0.0475","","","0.1106","0.1249","","","","","","1.015","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332647","14.143","0.001","14.226","0.002","17.8","0.002","90","","112.52","0.01","90","","3308.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 B Mn N5 O2 -","- C36 H42 B Mn N5 O2 -","- C144 H168 B4 Mn4 N20 O8 -","4","1","","Szigyártó, Imola Cs.; Simándi, László I.; Párkányi, László; Korecz, László; Schlosser, Gitta","Biomimetic Oxidation of 3,5-Di-tert-butylcatechol by Dioxygen via Mn-Enhanced Base Catalysis","Inorganic Chemistry","2006","45","18","7480","7487","10.1021/ic060618v","","","1.54184","CUkα","","0.1756","0.0569","","","0.1122","0.1363","","","","","","0.786","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332648","13.269","0.003","15.855","0.003","29.942","0.006","85.65","0.03","78.29","0.03","89.66","0.03","6150","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H113 La6 Mn2 O132 V25 -","- La6 Mn2 O101 V25 -","- La12 Mn4 O202 V50 -","2","1","","Liu, Shuxia; Li, Dehui; Xie, Linhua; Cheng, Haiyan; Zhao, Xinyu; Su, Zhongmin","Two-Dimensional Lanthanide Heteropolyvanadates of Manganese(IV) and Nickel(IV) Containing Two Types of Heteropoly Anions with 1:13 and 1:12 Stoichiometry","Inorganic Chemistry","2006","45","20","8036","8040","10.1021/ic060623z","","","0.71073","MoKα","","0.1124","0.0641","","","0.1166","0.1288","","","","","","0.947","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332649","13.228","0.003","15.811","0.003","29.844","0.006","85.49","0.03","78.37","0.03","89.55","0.03","6095","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Ce6 H109 Mn2 O130 V25 -","- Ce6 Mn2 O101 V25 -","- Ce12 Mn4 O202 V50 -","2","1","","Liu, Shuxia; Li, Dehui; Xie, Linhua; Cheng, Haiyan; Zhao, Xinyu; Su, Zhongmin","Two-Dimensional Lanthanide Heteropolyvanadates of Manganese(IV) and Nickel(IV) Containing Two Types of Heteropoly Anions with 1:13 and 1:12 Stoichiometry","Inorganic Chemistry","2006","45","20","8036","8040","10.1021/ic060623z","","","0.71073","MoKα","","0.0633","0.0454","","","0.0966","0.1016","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332650","13.286","0.003","15.775","0.003","29.883","0.006","85.04","0.03","77.99","0.03","89.41","0.03","6103","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H113 Mn2 O132 Pr6 V25 -","- Mn2 O101 Pr6 V25 -","- Mn4 O202 Pr12 V50 -","2","1","","Liu, Shuxia; Li, Dehui; Xie, Linhua; Cheng, Haiyan; Zhao, Xinyu; Su, Zhongmin","Two-Dimensional Lanthanide Heteropolyvanadates of Manganese(IV) and Nickel(IV) Containing Two Types of Heteropoly Anions with 1:13 and 1:12 Stoichiometry","Inorganic Chemistry","2006","45","20","8036","8040","10.1021/ic060623z","","","0.71073","MoKα","","0.1174","0.0872","","","0.2373","0.2708","","","","","","1.147","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332651","13.264","0.003","15.846","0.003","29.85","0.006","85.64","0.03","78.45","0.03","89.59","0.03","6129","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H107 La6 Ni2 O129 V25 -","- La6 Ni2 O101 V25 -","- La12 Ni4 O202 V50 -","2","1","","Liu, Shuxia; Li, Dehui; Xie, Linhua; Cheng, Haiyan; Zhao, Xinyu; Su, Zhongmin","Two-Dimensional Lanthanide Heteropolyvanadates of Manganese(IV) and Nickel(IV) Containing Two Types of Heteropoly Anions with 1:13 and 1:12 Stoichiometry","Inorganic Chemistry","2006","45","20","8036","8040","10.1021/ic060623z","","","0.71073","MoKα","","0.0835","0.0531","","","0.102","0.1097","","","","","","0.974","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332652","13.2461","0.0005","16.0084","0.0006","27.8371","0.0011","88.639","0.001","80.342","0.001","89.706","0.001","5817.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H117 Ni2 O134 Pr6 V25 -","- Ni2 O101 Pr6 V25 -","- Ni4 O202 Pr12 V50 -","2","1","","Liu, Shuxia; Li, Dehui; Xie, Linhua; Cheng, Haiyan; Zhao, Xinyu; Su, Zhongmin","Two-Dimensional Lanthanide Heteropolyvanadates of Manganese(IV) and Nickel(IV) Containing Two Types of Heteropoly Anions with 1:13 and 1:12 Stoichiometry","Inorganic Chemistry","2006","45","20","8036","8040","10.1021/ic060623z","","","0.71073","MoKα","","0.0421","0.0303","","","0.0742","0.0761","","","","","","1.024","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332653","10.2346","0.0005","11.5379","0.0006","13.3608","0.0007","108.617","0.002","102.451","0.002","94.244","0.002","1442.5","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H31 N O3 P2 -","- C34 H31 N O3 P2 -","- C68 H62 N2 O6 P4 -","2","1","","Elsegood, Mark R. J.; Smith, Martin B.; Staniland, Paul M.","Neutral Molecular Pd6Hexagons Using κ3-P2O-Terdentate Ligands","Inorganic Chemistry","2006","45","17","6761","6770","10.1021/ic060629o","","","0.71073","MoKα","","0.037","0.0321","","","0.0859","0.0899","","","","","","1.027","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332654","12.0845","0.0006","16.9539","0.0009","16.1707","0.0008","90","","97.919","0.002","90","","3281.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 Br N O3 P2 Pd -","- C35 H34 Br N O3 P2 Pd -","- C140 H136 Br4 N4 O12 P8 Pd4 -","4","1","","Elsegood, Mark R. J.; Smith, Martin B.; Staniland, Paul M.","Neutral Molecular Pd6Hexagons Using κ3-P2O-Terdentate Ligands","Inorganic Chemistry","2006","45","17","6761","6770","10.1021/ic060629o","","","0.71073","MoKα","","0.0582","0.048","","","0.1022","0.1053","","","","","","1.299","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332655","50.9328","0.0008","50.9328","0.0008","27.6308","0.0007","90","","90","","120","","62075","2","150","2","150","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C223 H188 Cl57 D17 N6 O20 P12 Pd6 -","- C210 H192 Cl18 N6 O20 P12 Pd6 -","- C1890 H1728 Cl162 N54 O180 P108 Pd54 -","9","0.5","","Elsegood, Mark R. J.; Smith, Martin B.; Staniland, Paul M.","Neutral Molecular Pd6Hexagons Using κ3-P2O-Terdentate Ligands","Inorganic Chemistry","2006","45","17","6761","6770","10.1021/ic060629o","","","0.71073","MoKα","","0.0695","0.0511","","","0.1486","0.1604","","","","","","1.098","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332656","34.865","0.009","34.865","0.009","16.076","0.006","90","","90","","120","","16923","9","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C212 H206 Cl24 N6 O26 P12 Pd6 -","- C211.98 H192 Cl24 N6 O25.98 P12 Pd6 -","- C635.94 H576 Cl72 N18 O77.94 P36 Pd18 -","3","0.166667","","Elsegood, Mark R. J.; Smith, Martin B.; Staniland, Paul M.","Neutral Molecular Pd6Hexagons Using κ3-P2O-Terdentate Ligands","Inorganic Chemistry","2006","45","17","6761","6770","10.1021/ic060629o","","","0.71073","MoKα","","0.1046","0.047","","","0.1167","0.1477","","","","","","1.005","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332657","50.7094","0.0013","50.7094","0.0013","27.6292","0.001","90","","90","","120","","61528","3","150","2","150","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C221 H180 Cl51 D17 I6 N6 O18 P12 Pd6 -","- C215 H191 Cl33 I6 N6 O18 P12 Pd6 -","- C1935 H1719 Cl297 I54 N54 O162 P108 Pd54 -","9","0.5","","Elsegood, Mark R. J.; Smith, Martin B.; Staniland, Paul M.","Neutral Molecular Pd6Hexagons Using κ3-P2O-Terdentate Ligands","Inorganic Chemistry","2006","45","17","6761","6770","10.1021/ic060629o","","","0.71073","MoKα","","0.0931","0.0547","","","0.1557","0.1722","","","","","","1.087","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332658","9.8577","0.0015","12.607","0.0019","13.008","0.002","101.433","0.003","111.687","0.003","108.967","0.003","1324.1","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H22 Cl4 Cu N2 O5 V -","- C27 H22 Cl4 Cu N2 O5 V -","- C54 H44 Cl8 Cu2 N4 O10 V2 -","2","1","","Glaser, Thorsten; Theil, Hubert; Liratzis, Ioannis; Weyhermüller, Thomas; Bill, Eckhard","Ferromagnetic Coupling by Orthogonal Magnetic Orbitals in a Heterodinuclear CuIIVIVO Complex and in a Homodinuclear CuIICuIIComplex","Inorganic Chemistry","2006","45","13","4889","4891","10.1021/ic0606328","","","0.71073","MoKα","","0.0631","0.0434","","","0.1037","0.1124","","","","","","1.023","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332659","6.9771","0.0004","21.6972","0.0014","20.374","0.0012","90","","96.124","0.006","90","","3066.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl6 Cu4 N14 O -","- C21 H20 Cl6 Cu4 N14 O -","- C84 H80 Cl24 Cu16 N56 O4 -","4","1","","Glaser, Thorsten; Theil, Hubert; Liratzis, Ioannis; Weyhermüller, Thomas; Bill, Eckhard","Ferromagnetic Coupling by Orthogonal Magnetic Orbitals in a Heterodinuclear CuIIVIVO Complex and in a Homodinuclear CuIICuIIComplex","Inorganic Chemistry","2006","45","13","4889","4891","10.1021/ic0606328","","","0.71073","MoKα","","0.0805","0.0703","","","0.1513","0.1553","","","","","","1.232","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332660","10.9638","0.0015","19.811","0.003","7.2993","0.001","90","","103.571","0.003","90","","1541.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cu2 N18 O2 -","- C24 H32 Cu2 N18 O2 -","- C48 H64 Cu4 N36 O4 -","2","0.5","","Li, Licun; Liao, Daizheng; Jiang, Zonghui; Mouesca, Jean-Marie; Rey, Paul","An Unprecedented Asymmetric End-On Azido-Bridged Copper(II) Imino Nitroxide Complex: Structure, Magnetic Properties, and Density Functional Theory Analysis","Inorganic Chemistry","2006","45","19","7665","7670","10.1021/ic0606429","","","0.71073","MoKα","","0.0849","0.0421","","","0.0965","0.1141","","","","","","0.952","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332661","39.305","0.006","39.305","0.006","17.81","0.004","90","","90","","90","","27514","9","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C356 H328 Mn20 N40 O80 S18 -","- C356 H328 Mn20 N40 O80 S18 -","- C712 H656 Mn40 N80 O160 S36 -","2","0.25","","Moon, Dohyun; Lee, Kyungjae; John, Rohith P.; Kim, Ghyung Hwa; Suh, Byoung Jin; Lah, Myoung Soo","Steric Control of a Bridging Ligand for High-Nuclearity Metallamacrocycle Formation: A Highly Puckered 60-Membered Icosanuclear Metalladiazamacrocycle","Inorganic Chemistry","2006","45","20","7991","7993","10.1021/ic060646d","","","0.74999","synchrotron","","0.0757","0.0686","","","0.218","0.2239","","","","","","1.067","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332662","16.827","0.006","24.686","0.009","16.909","0.006","90","","95.238","0.008","90","","6995","4","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76.8 H91 Fe N2 O5.4 -","- C76.8 H91 Fe N2 O5.4 -","- C307.2 H364 Fe4 N8 O21.6 -","4","1","","Kurahashi, Takuya; Oda, Kenji; Sugimoto, Manabu; Ogura, Takashi; Fujii, Hiroshi","Trigonal-Bipyramidal Geometry Induced by an External Water Ligand in a Sterically Hindered Iron Salen Complex, Related to the Active Site of Protocatechuate 3,4-Dioxygenase","Inorganic Chemistry","2006","45","19","7709","7721","10.1021/ic060650p","","","0.7107","MoKα","","","0.113","","","","0.2598","","","","","","1.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332663","11.6196","0.0005","12.7901","0.0005","28.174","0.001","90","","93.438","0.003","90","","4179.6","0.3","173.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 Cl Fe N2 O2 -","- C50 H50 Cl Fe N2 O2 -","- C200 H200 Cl4 Fe4 N8 O8 -","4","1","","Kurahashi, Takuya; Oda, Kenji; Sugimoto, Manabu; Ogura, Takashi; Fujii, Hiroshi","Trigonal-Bipyramidal Geometry Induced by an External Water Ligand in a Sterically Hindered Iron Salen Complex, Related to the Active Site of Protocatechuate 3,4-Dioxygenase","Inorganic Chemistry","2006","45","19","7709","7721","10.1021/ic060650p","","","0.7107","MoKα","","","0.0603","","","","0.1556","","","","","","1.862","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332664","15.643","0.004","11.169","0.003","25.931","0.007","90","","92.542","0.003","90","","4526","2","173.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 Fe N2 O4 -","- C52 H56 Fe N2 O4 -","- C208 H224 Fe4 N8 O16 -","4","1","","Kurahashi, Takuya; Oda, Kenji; Sugimoto, Manabu; Ogura, Takashi; Fujii, Hiroshi","Trigonal-Bipyramidal Geometry Induced by an External Water Ligand in a Sterically Hindered Iron Salen Complex, Related to the Active Site of Protocatechuate 3,4-Dioxygenase","Inorganic Chemistry","2006","45","19","7709","7721","10.1021/ic060650p","","","0.7107","MoKα","","","0.0778","","","","0.1782","","","","","","1.82","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332665","17.7864","0.0009","12.973","0.0005","20.655","0.001","90","","103.958","0.002","90","","4625.3","0.4","173.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H59 Fe N2 O5 -","- C53 H59 Fe N2 O5 -","- C212 H236 Fe4 N8 O20 -","4","1","","Kurahashi, Takuya; Oda, Kenji; Sugimoto, Manabu; Ogura, Takashi; Fujii, Hiroshi","Trigonal-Bipyramidal Geometry Induced by an External Water Ligand in a Sterically Hindered Iron Salen Complex, Related to the Active Site of Protocatechuate 3,4-Dioxygenase","Inorganic Chemistry","2006","45","19","7709","7721","10.1021/ic060650p","","","0.7107","MoKα","","","0.0663","","","","0.1753","","","","","","2.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332666","29.053","0.003","8.4182","0.0007","22.86","0.003","90","","126.62","0.003","90","","4487.4","0.9","173.2","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C50 H50 B F4 Mn N2 O3 -","- C50 H50 B F4 Mn N2 O3 -","- C200 H200 B4 F16 Mn4 N8 O12 -","4","1","","Kurahashi, Takuya; Oda, Kenji; Sugimoto, Manabu; Ogura, Takashi; Fujii, Hiroshi","Trigonal-Bipyramidal Geometry Induced by an External Water Ligand in a Sterically Hindered Iron Salen Complex, Related to the Active Site of Protocatechuate 3,4-Dioxygenase","Inorganic Chemistry","2006","45","19","7709","7721","10.1021/ic060650p","","","0.7107","MoKα","","","0.0606","","","","0.1598","","","","","","2.008","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332667","27.775","0.002","9.3233","0.0007","18.8006","0.0016","90","","111.644","0.002","90","","4525.2","0.6","","","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Au2 I2 N4 O2 S4 -","- C36 H56 Au2 I2 N4 O2 S4 -","- C144 H224 Au8 I8 N16 O8 S16 -","4","0.5","","Chen, Jin-Xiang; Zhang, Wen-Hua; Tang, Xiao-Yan; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Toward Rational Construction of Gold, Gold−Silver, and Gold−Mercury String Complexes: Syntheses, Structures, and Properties of [Au(Tab)2]2L2(L = I and PF6), {[(Tab)2M][Au(CN)2]}2(M = Au and Ag), and {[Hg(Tab)2][Au(CN)2]2} [Tab = 4-(Trimethylammonio)benzenethiolate]","Inorganic Chemistry","2006","45","19","7671","7680","10.1021/ic060655m","","","0.7107","MoKα","","0.0422","0.0374","","","0.0805","0.0829","","","","","","1.008","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332668","30.225","0.003","8.5291","0.0007","20.0928","0.0019","90","","121.713","0.002","90","","4406.4","0.7","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 Au2 F12 N4 P2 S4 -","- C36 H52 Au2 F12 N4 P2 S4 -","- C144 H208 Au8 F48 N16 P8 S16 -","4","0.5","","Chen, Jin-Xiang; Zhang, Wen-Hua; Tang, Xiao-Yan; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Toward Rational Construction of Gold, Gold−Silver, and Gold−Mercury String Complexes: Syntheses, Structures, and Properties of [Au(Tab)2]2L2(L = I and PF6), {[(Tab)2M][Au(CN)2]}2(M = Au and Ag), and {[Hg(Tab)2][Au(CN)2]2} [Tab = 4-(Trimethylammonio)benzenethiolate]","Inorganic Chemistry","2006","45","19","7671","7680","10.1021/ic060655m","","","0.7107","MoKα","","0.0302","0.0277","","","0.0658","0.0671","","","","","","1.133","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332669","18.1364","0.0015","32.23","0.003","15.6796","0.0014","90","","90","","90","","9165.3","1.4","193","2","193","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H52 Au4 N8 S4 -","- C40 H52 Au4 N8 S4 -","- C320 H416 Au32 N64 S32 -","8","0.5","","Chen, Jin-Xiang; Zhang, Wen-Hua; Tang, Xiao-Yan; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Toward Rational Construction of Gold, Gold−Silver, and Gold−Mercury String Complexes: Syntheses, Structures, and Properties of [Au(Tab)2]2L2(L = I and PF6), {[(Tab)2M][Au(CN)2]}2(M = Au and Ag), and {[Hg(Tab)2][Au(CN)2]2} [Tab = 4-(Trimethylammonio)benzenethiolate]","Inorganic Chemistry","2006","45","19","7671","7680","10.1021/ic060655m","","","0.7107","MoKα","","0.0534","0.038","","","0.0776","0.0833","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332670","18.073","0.002","32.221","0.004","15.6343","0.0017","90","","90","","90","","9104.3","1.8","193","2","193","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C40 H52 Ag2 Au2 N8 S4 -","- C40 H52 Ag2 Au2 N8 S4 -","- C320 H416 Ag16 Au16 N64 S32 -","8","0.5","","Chen, Jin-Xiang; Zhang, Wen-Hua; Tang, Xiao-Yan; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Toward Rational Construction of Gold, Gold−Silver, and Gold−Mercury String Complexes: Syntheses, Structures, and Properties of [Au(Tab)2]2L2(L = I and PF6), {[(Tab)2M][Au(CN)2]}2(M = Au and Ag), and {[Hg(Tab)2][Au(CN)2]2} [Tab = 4-(Trimethylammonio)benzenethiolate]","Inorganic Chemistry","2006","45","19","7671","7680","10.1021/ic060655m","","","0.7107","MoKα","","0.0296","0.0248","","","0.0569","0.0587","","","","","","1.08","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332671","17.113","0.002","9.919","0.0012","15.473","0.002","90","","92.422","0.003","90","","2624.1","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Au2 Hg N6 S2 -","- C22 H26 Au2 Hg N6 S2 -","- C88 H104 Au8 Hg4 N24 S8 -","4","0.5","","Chen, Jin-Xiang; Zhang, Wen-Hua; Tang, Xiao-Yan; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Toward Rational Construction of Gold, Gold−Silver, and Gold−Mercury String Complexes: Syntheses, Structures, and Properties of [Au(Tab)2]2L2(L = I and PF6), {[(Tab)2M][Au(CN)2]}2(M = Au and Ag), and {[Hg(Tab)2][Au(CN)2]2} [Tab = 4-(Trimethylammonio)benzenethiolate]","Inorganic Chemistry","2006","45","19","7671","7680","10.1021/ic060655m","","","0.7107","MoKα","","0.0338","0.0295","","","0.0708","0.0738","","","","","","0.953","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332672","13.9916","0.0004","14.0668","0.0004","17.5288","0.0005","97.816","0.001","98.731","0.001","114.932","0.001","3014.26","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H102 N16 O35 P4 S4 Zn6 -","- C120 H80 N16 O35 P4 S4 Zn6 -","- C120 H80 N16 O35 P4 S4 Zn6 -","1","0.5","","Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao","Three Novel Zinc(II) Sulfonate−Phosphonates with Tetranuclear or Hexanuclear Cluster Units","Inorganic Chemistry","2006","45","16","6424","6430","10.1021/ic0606577","","","0.71073","MoKα","","0.106","0.0797","","","0.1409","0.1555","","","","","","1.285","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332673","13.5396","0.0001","30.438","0.0005","15.7217","0.0003","90","","110.535","0.001","90","","6067.5","0.16","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 N6 O23 P2 S2 Zn53 -","- C42 H32 N6 O23 P2 S2 Zn3 -","- C168 H128 N24 O92 P8 S8 Zn12 -","4","1","","Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao","Three Novel Zinc(II) Sulfonate−Phosphonates with Tetranuclear or Hexanuclear Cluster Units","Inorganic Chemistry","2006","45","16","6424","6430","10.1021/ic0606577","","","0.71073","MoKα","","0.0636","0.0576","","","0.1638","0.1689","","","","","","1.056","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332674","9.164","0.006","11.82","0.005","15.623","0.012","97.05","0.04","102.86","0.05","107.81","0.03","1537.2","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H60 Cl4 Fe2 S8 -","- C66 H60 Cl4 Fe2 S8 -","- C66 H60 Cl4 Fe2 S8 -","1","0.5","","Patra, Apurba K.; Bill, Eckhard; Weyhermüller, Thomas; Stobie, Keira; Bell, Zoe; Ward, Michael D.; McCleverty, Jon A.; Wieghardt, Karl","Dinuclear Bis(1,2-diaryl-1,2-ethylenedithiolato)iron Complexes: [FeIII2(L)4]n(n= 2−, 1−, 0, 1+)","Inorganic Chemistry","2006","45","16","6541","6548","10.1021/ic060665n","","","0.71073","MoKα","","0.0964","0.0594","","","0.1264","0.1415","","","","","","1.036","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332675","12.5268","0.0008","13.5759","0.0008","38.237","0.003","85.52","0.01","88.85","0.01","65.67","0.01","5906.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H151 Co Fe2 O0.5 S8 -","- C128 H151 Co Fe2 O0.5 S8 -","- C256 H302 Co2 Fe4 O S16 -","2","1","","Patra, Apurba K.; Bill, Eckhard; Weyhermüller, Thomas; Stobie, Keira; Bell, Zoe; Ward, Michael D.; McCleverty, Jon A.; Wieghardt, Karl","Dinuclear Bis(1,2-diaryl-1,2-ethylenedithiolato)iron Complexes: [FeIII2(L)4]n(n= 2−, 1−, 0, 1+)","Inorganic Chemistry","2006","45","16","6541","6548","10.1021/ic060665n","","","0.71073","MoKα","","0.1415","0.0945","","","0.2","0.2289","","","","","","1.089","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332676","11.2939","0.0005","18.4709","0.0008","23.6972","0.0011","90","","99.968","0.001","90","","4868.8","0.4","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H59 B Co N P3 -","- C58 H59 B Co N P3 -","- C232 H236 B4 Co4 N4 P12 -","4","1","","Mehn, Mark P.; Brown, Steven D.; Jenkins, David M.; Peters, Jonas C.; Que, Lawrence","Vibrational Spectroscopy and Analysis of Pseudo-tetrahedral Complexes with Metal Imido Bonds","Inorganic Chemistry","2006","45","18","7417","7427","10.1021/ic060670r","","","0.71073","MoKα","","0.0626","0.0401","","","0.0669","0.069","","","","","","1.794","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4332677","14.7124","0.0013","19.0114","0.0017","15.0887","0.0013","90","","96.9378","0.0017","90","","4189.5","0.6","98","","98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H50 B Fe N P3 -","- C49 H50 B Fe N P3 -","- C196 H200 B4 Fe4 N4 P12 -","4","1","","Mehn, Mark P.; Brown, Steven D.; Jenkins, David M.; Peters, Jonas C.; Que, Lawrence","Vibrational Spectroscopy and Analysis of Pseudo-tetrahedral Complexes with Metal Imido Bonds","Inorganic Chemistry","2006","45","18","7417","7427","10.1021/ic060670r","","","0.71073","MoKα","","0.0651","0.0429","","","0.0848","0.0886","","","","","","1.614","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332678","13.4241","0.0005","8.6624","0.0003","14.7412","0.0006","90","","110.113","0.001","90","","1609.64","0.11","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N4 O2.5 S8 Zn2 -","- C20 H40 N4 O2.5 S8 Zn2 -","- C40 H80 N8 O5 S16 Zn4 -","2","0.5","","Brayton, Daniel F.; Tanabe, Kristine; Khiterer, Mariya; Kolahi, Kian; Ziller, Joseph; Greaves, John; Farmer, Patrick J.","Oxygenation of Zinc Dialkyldithiocarbamate Complexes: Isolation, Characterization, and Reactivity of the Stoichiometric Oxygenates","Inorganic Chemistry","2006","45","15","6064","6072","10.1021/ic060671j","","","0.71073","MoKα","","0.0463","0.0279","","","0.0535","0.0582","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332679","17.6637","0.0007","5.9091","0.0002","17.9763","0.0007","90","","97.988","0.001","90","","1858.1","0.12","163","2","163","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C10 H22 N2 O5 S4 Zn -","- C10 H22 N2 O5 S4 Zn -","- C40 H88 N8 O20 S16 Zn4 -","4","1","","Brayton, Daniel F.; Tanabe, Kristine; Khiterer, Mariya; Kolahi, Kian; Ziller, Joseph; Greaves, John; Farmer, Patrick J.","Oxygenation of Zinc Dialkyldithiocarbamate Complexes: Isolation, Characterization, and Reactivity of the Stoichiometric Oxygenates","Inorganic Chemistry","2006","45","15","6064","6072","10.1021/ic060671j","","","0.71073","MoKα","","0.0222","0.0193","","","0.0479","0.0495","","","","","","1.031","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332680","18.4","0.0004","19.9266","0.0005","15.8408","0.0003","90","","109.846","0.001","90","","5463.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H70 Mn6 N4 O24 -","- C40 H70 Mn6 N4 O24 -","- C160 H280 Mn24 N16 O96 -","4","0.5","","Milios, Constantinos J.; Manoli, Maria; Rajaraman, Gopalan; Mishra, Abhudaya; Budd, Laura E.; White, Fraser; Parsons, Simon; Wernsdorfer, Wolfgang; Christou, George; Brechin, Euan K.","A Family of [Mn6] Complexes Featuring Tripodal Ligands","Inorganic Chemistry","2006","45","17","6782","6793","10.1021/ic060676g","","","0.71073","MoKα","","0.0575","0.0488","","","0.1096","0.1133","","","","","","1.177","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332681","11.8646","0.0004","16.8058","0.0006","14.7813","0.0006","90","","102.957","0.003","90","","2872.26","0.19","150","2","150","2","","","","","","","Maria Manoli","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H80 Mn6 N2 O22 -","- C46 H80 Mn6 N2 O22 -","- C92 H160 Mn12 N4 O44 -","2","0.5","","Milios, Constantinos J.; Manoli, Maria; Rajaraman, Gopalan; Mishra, Abhudaya; Budd, Laura E.; White, Fraser; Parsons, Simon; Wernsdorfer, Wolfgang; Christou, George; Brechin, Euan K.","A Family of [Mn6] Complexes Featuring Tripodal Ligands","Inorganic Chemistry","2006","45","17","6782","6793","10.1021/ic060676g","","","0.71073","MoKα","","0.0914","0.0483","","","0.1097","0.1233","","","","","","1.009","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332682","11.341","0.0002","11.877","0.0002","13.742","0.0002","79.732","0.001","66.161","0.001","74.427","0.001","1625.82","0.05","150","","150","","","","","","","","C.Milios","5","P -1","-P 1","2","","","","- C56 H72 Mn6 N6 O22 -","- C56 H72 Mn6 N6 O22 -","- C56 H72 Mn6 N6 O22 -","1","0.5","","Milios, Constantinos J.; Manoli, Maria; Rajaraman, Gopalan; Mishra, Abhudaya; Budd, Laura E.; White, Fraser; Parsons, Simon; Wernsdorfer, Wolfgang; Christou, George; Brechin, Euan K.","A Family of [Mn6] Complexes Featuring Tripodal Ligands","Inorganic Chemistry","2006","45","17","6782","6793","10.1021/ic060676g","","","0.71073","MoKα","","0.0437","0.0311","","0.0726","0.0705","0.0726","","","","","","0.8517","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332683","13.6702","0.0003","16.2419","0.0004","12.1397","0.0002","90","","90","","90","","2695.38","0.1","173","2","173","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C12 H32 K4 O46 Ru2 Si W10 -","- C12 K4 O45.7 Ru2 Si W10 -","- C24 K8 O91.4 Ru4 Si2 W20 -","2","0.5","","Bi, Li-Hua; Chubarova, Elena V.; Nsouli, Nadeen H.; Dickman, Michael H.; Kortz, Ulrich; Keita, Bineta; Nadjo, Louis","Dilacunary Decatungstates Functionalized by Organometallic Ruthenium(II), [{Ru(C6H6)(H2O)}{Ru(C6H6)}(γ-XW10O36)]4-(X = Si, Ge)","Inorganic Chemistry","2006","45","21","8575","8583","10.1021/ic0606835","","","0.71073","MoKα","","0.0788","0.0571","","","0.1399","0.1564","","","","","","1.02","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332684","13.6684","0.0012","16.297","0.002","12.1607","0.0013","90","","90","","90","","2708.8","0.5","173","2","173","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C12 H28 Ge K4 O44 Ru2 W10 -","- C12 H12 Ge K3.5 O44 Ru2 W10 -","- C24 H24 Ge2 K7 O88 Ru4 W20 -","2","0.5","","Bi, Li-Hua; Chubarova, Elena V.; Nsouli, Nadeen H.; Dickman, Michael H.; Kortz, Ulrich; Keita, Bineta; Nadjo, Louis","Dilacunary Decatungstates Functionalized by Organometallic Ruthenium(II), [{Ru(C6H6)(H2O)}{Ru(C6H6)}(γ-XW10O36)]4-(X = Si, Ge)","Inorganic Chemistry","2006","45","21","8575","8583","10.1021/ic0606835","","","0.71073","MoKα","","0.098","0.0729","","","0.1752","0.196","","","","","","1.001","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332685","15.324","0.003","16.398","0.003","16.788","0.003","60.391","0.012","70.93","0.01","72.71","0.02","3418.7","1.2","213.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C6 Cr3 Na2 O70.5 P W12 -","- C6 Cr3 Na2 O70.5 P W12 -","- C12 Cr6 Na4 O141 P2 W24 -","2","1","","Uchida, Sayaka; Kawamoto, Ryosuke; Mizuno, Noritaka","Recognition of Small Polar Molecules with an Ionic Crystal of α-Keggin-Type Polyoxometalate with a Macrocation","Inorganic Chemistry","2006","45","13","5136","5144","10.1021/ic060684x","","","0.7107","MoKα","","","0.051","","","","0.063","","","","","","1.922","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332686","27.258","0.004","15.764","0.006","17.285","0.004","90","","102.73","0.02","90","","7245","3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Tripotassium triaquahexaformatooxotrichromium alpha-dodecatungstosilicate dodecahydrate","","","- C6 H36 Cr3 K3 O68 Si W12 -","- C6 Cr3 K3 O68 Si W12 -","- C24 Cr12 K12 O272 Si4 W48 -","4","0.5","","Uchida, Sayaka; Kawamoto, Ryosuke; Mizuno, Noritaka","Recognition of Small Polar Molecules with an Ionic Crystal of α-Keggin-Type Polyoxometalate with a Macrocation","Inorganic Chemistry","2006","45","13","5136","5144","10.1021/ic060684x","","","0.71069","MoKα","","0.1451","0.059","","","0.1446","0.1733","","","","","","1.029","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332687","24.68","0.01","16.137","0.005","17.281","0.009","90","","90","","90","","6882","5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H44 B Cr3 O72 Rb4 W12 -","- C6 B Cr3 O72 Rb4 W12 -","- C24 B4 Cr12 O288 Rb16 W48 -","4","0.5","","Uchida, Sayaka; Kawamoto, Ryosuke; Mizuno, Noritaka","Recognition of Small Polar Molecules with an Ionic Crystal of α-Keggin-Type Polyoxometalate with a Macrocation","Inorganic Chemistry","2006","45","13","5136","5144","10.1021/ic060684x","","","0.71069","MoKα","","0.2496","0.0649","","","0.1239","0.171","","","","","","0.938","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332688","15.0049","0.0005","10.0179","0.0003","24.9361","0.0008","90","","94.563","0.0008","90","","3736.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 N9 O9 Ru -","- C39 H28 N9 O9 Ru -","- C156 H112 N36 O36 Ru4 -","4","1","","Halder, Sarmistha; Acharyya, Rama; Peng, Shie-Ming; Lee, Gene-Hsiang; Drew, Michael G. B.; Bhattacharya, Samaresh","Synthesis, Structure, and Electrochemical Properties of a Family of 2-(Arylazo)phenolate Complexes of Ruthenium with Unusual C−C Coupling and NN Cleavage","Inorganic Chemistry","2006","45","24","9654","9663","10.1021/ic060689u","","","0.71073","MoKα","","0.0968","0.0401","","","0.0492","0.0568","","","","","","1","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332689","9.4178","0.0011","11.2201","0.0013","34.892","0.004","90","","94.074","0.002","90","","3677.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H37 N6 O3 Ru -","- C42 H37 N6 O3 Ru -","- C168 H148 N24 O12 Ru4 -","4","1","","Halder, Sarmistha; Acharyya, Rama; Peng, Shie-Ming; Lee, Gene-Hsiang; Drew, Michael G. B.; Bhattacharya, Samaresh","Synthesis, Structure, and Electrochemical Properties of a Family of 2-(Arylazo)phenolate Complexes of Ruthenium with Unusual C−C Coupling and NN Cleavage","Inorganic Chemistry","2006","45","24","9654","9663","10.1021/ic060689u","","","0.71073","MoKα","","0.0815","0.0607","","","0.1516","0.1646","","","","","","1.004","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332690","10.6497","0.0002","19.4497","0.0005","16.6027","0.0005","90","","106.357","0.001","90","","3299.78","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 N5 O3 Ru -","- C37 H37 N5 O3 Ru -","- C148 H148 N20 O12 Ru4 -","4","1","","Halder, Sarmistha; Acharyya, Rama; Peng, Shie-Ming; Lee, Gene-Hsiang; Drew, Michael G. B.; Bhattacharya, Samaresh","Synthesis, Structure, and Electrochemical Properties of a Family of 2-(Arylazo)phenolate Complexes of Ruthenium with Unusual C−C Coupling and NN Cleavage","Inorganic Chemistry","2006","45","24","9654","9663","10.1021/ic060689u","","","0.71073","MoKα","","0.1128","0.0898","","","0.2108","0.2318","","","","","","1.117","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332691","15.62","0.002","16.41","0.002","22.386","0.003","90","","90","","90","","5738.1","1.3","143","2","143","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H18 F18 N3 P -","- C27 H15 F18 N3 P -","- C216 H120 F144 N24 P8 -","8","1","","Han, Hua; Elsmaili, Mona; Johnson, Samuel A.","Diligating Tripodal Amido-Phosphine Ligands: the Effect of a Proximal Antipodal Early Transition Metal on Phosphine Donor Ability in a Building Block for Heterometallic Complexes","Inorganic Chemistry","2006","45","18","7435","7445","10.1021/ic060692d","","","0.71073","MoKα","","0.0767","0.0654","","","0.1741","0.1871","","","","","","1.052","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332692","11.96","0.0008","14.4825","0.0009","12.8136","0.0008","90","","90.081","0.001","90","","2219.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N4 P Ti -","- C23 H27 N4 P Ti -","- C92 H108 N16 P4 Ti4 -","4","1","","Han, Hua; Elsmaili, Mona; Johnson, Samuel A.","Diligating Tripodal Amido-Phosphine Ligands: the Effect of a Proximal Antipodal Early Transition Metal on Phosphine Donor Ability in a Building Block for Heterometallic Complexes","Inorganic Chemistry","2006","45","18","7435","7445","10.1021/ic060692d","","","0.71073","MoKα","","0.0376","0.0336","","","0.0956","0.0992","","","","","","1.05","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332693","27.98","0.003","11.7166","0.0012","19.371","0.002","90","","131.341","0.001","90","","4767.8","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H30 N4 P Ta -","- C25 H30 N4 P Ta -","- C200 H240 N32 P8 Ta8 -","8","1","","Han, Hua; Elsmaili, Mona; Johnson, Samuel A.","Diligating Tripodal Amido-Phosphine Ligands: the Effect of a Proximal Antipodal Early Transition Metal on Phosphine Donor Ability in a Building Block for Heterometallic Complexes","Inorganic Chemistry","2006","45","18","7435","7445","10.1021/ic060692d","","","0.71073","MoKα","","0.0216","0.0181","","","0.0442","0.0457","","","","","","1.04","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332694","15.417","0.003","15.812","0.003","16.336","0.003","111.303","0.002","109.839","0.002","95.691","0.002","3375.7","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H90 N8 Ni O2 P2 Ti2 -","- C65 H78 N8 Ni O2 P2 Ti2 -","- C130 H156 N16 Ni2 O4 P4 Ti4 -","2","1","","Han, Hua; Elsmaili, Mona; Johnson, Samuel A.","Diligating Tripodal Amido-Phosphine Ligands: the Effect of a Proximal Antipodal Early Transition Metal on Phosphine Donor Ability in a Building Block for Heterometallic Complexes","Inorganic Chemistry","2006","45","18","7435","7445","10.1021/ic060692d","","","0.71073","MoKα","","0.1094","0.0668","","","0.1506","0.1714","","","","","","1.023","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332695","14.2228","0.0008","14.2228","0.0008","25.594","0.003","90","","90","","120","","4483.7","0.6","173","2","173","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C63 H84 Cl N8 O P2 Rh Ta2 -","- C62.99 H84 Cl0.99 N8 O0.99 P2 Rh Ta2 -","- C125.98 H168 Cl1.98 N16 O1.98 P4 Rh2 Ta4 -","2","0.166667","","Han, Hua; Elsmaili, Mona; Johnson, Samuel A.","Diligating Tripodal Amido-Phosphine Ligands: the Effect of a Proximal Antipodal Early Transition Metal on Phosphine Donor Ability in a Building Block for Heterometallic Complexes","Inorganic Chemistry","2006","45","18","7435","7445","10.1021/ic060692d","","","0.71073","MoKα","","0.0561","0.0479","","","0.1181","0.1254","","","","","","1.17","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332696","33.918","0.007","24.258","0.005","28.472","0.006","90","","104.28","0.03","90","","22702","9","90","0.2","90","0.2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C160 H208 B4 F12 Fe4 N76 Ni4 O28 S8 -","- C160 H200 B4 F12 Fe4 N76 Ni4 O28 S8 -","- C640 H800 B16 F48 Fe16 N304 Ni16 O112 S32 -","4","1","","Li, Dongfeng; Parkin, Sean; Clérac, Rodolphe; Holmes, Stephen M.","Ancillary Ligand Functionalization of Cyanide-BridgedS= 6 FeIII4NiII4Complexes for Molecule-Based Electronics","Inorganic Chemistry","2006","45","19","7569","7571","10.1021/ic060695q","","","1.54178","CuKα","","0.1367","0.1004","","","0.2993","0.3345","","","","","","1.046","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332697","11.3101","0.0008","15.7573","0.0012","24.744","0.0018","90","","90","","90","","4409.8","0.6","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl10 P2 Pd2 -","- C40 H38 Cl10 P2 Pd2 -","- C160 H152 Cl40 P8 Pd8 -","4","1","","Azerraf, Clarite; Cohen, Shmuel; Gelman, Dmitri","Roof-Shaped Halide-Bridged Bimetallic Complexes via Ring Expansion Reaction","Inorganic Chemistry","2006","45","17","7010","7017","10.1021/ic060700q","","","0.71073","MoKα","","0.0307","0.0281","","","0.0519","0.0526","","","","","","0.977","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332698","11.3039","0.0014","15.7518","0.0019","24.733","0.003","90","","90","","90","","4403.9","0.9","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl10 P2 Pd2 -","- C40 H38 Cl10 P2 Pd2 -","- C160 H152 Cl40 P8 Pd8 -","4","1","","Azerraf, Clarite; Cohen, Shmuel; Gelman, Dmitri","Roof-Shaped Halide-Bridged Bimetallic Complexes via Ring Expansion Reaction","Inorganic Chemistry","2006","45","17","7010","7017","10.1021/ic060700q","","","0.71073","MoKα","","0.0239","0.0221","","","0.0475","0.0479","","","","","","0.977","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332699","12.9612","0.0008","13.7251","0.0008","15.1256","0.0009","83.692","0.001","66.619","0.001","62.343","0.001","2178.4","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cl2 O3.5 P2 Rh2 -","- C40 H52 Cl2 O3.5 P2 Rh2 -","- C80 H104 Cl4 O7 P4 Rh4 -","2","1","","Azerraf, Clarite; Cohen, Shmuel; Gelman, Dmitri","Roof-Shaped Halide-Bridged Bimetallic Complexes via Ring Expansion Reaction","Inorganic Chemistry","2006","45","17","7010","7017","10.1021/ic060700q","","","0.71073","MoKα","","0.0548","0.0375","","","0.0939","0.0975","","","","","","0.933","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332700","8.351","0.0002","26.9203","0.0007","14.5747","0.0004","90","","93.8497","0.0013","90","","3269.17","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 F6 Ti2 -","- C20 H30 F6 Ti2 -","- C120 H180 F36 Ti12 -","6","1.5","","Perdih, Franc; Pevec, Andrej; Petriček, Saša; Petrič, Andrej; Lah, Nina; Kogej, Ksenija; Demšar, Alojz","The Solution Structures and Dynamics and the Solid-State Structures of Substituted Cyclopentadienyltitanium(IV) Trifluorides","Inorganic Chemistry","2006","45","19","7915","7921","10.1021/ic060714w","","","0.71073","MoKα","","0.1073","0.0696","","","0.1296","0.1433","","","","","","1.187","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332701","16.3757","0.0003","17.1681","0.0003","16.6481","0.0004","90","","90.264","0.001","90","","4680.39","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 F6 Ti2 -","- C22 H34 F6 Ti2 -","- C176 H272 F48 Ti16 -","8","2","","Perdih, Franc; Pevec, Andrej; Petriček, Saša; Petrič, Andrej; Lah, Nina; Kogej, Ksenija; Demšar, Alojz","The Solution Structures and Dynamics and the Solid-State Structures of Substituted Cyclopentadienyltitanium(IV) Trifluorides","Inorganic Chemistry","2006","45","19","7915","7921","10.1021/ic060714w","","","0.71073","MoKα","","0.123","0.064","","","0.1165","0.1404","","","","","","1.096","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332702","23.1225","0.0004","9.9536","0.0002","18.6135","0.0003","90","","94.912","0.001","90","","4268.2","0.13","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H60 F12 Ti4 -","- C40 H60 F12 Ti4 -","- C160 H240 F48 Ti16 -","4","0.5","","Perdih, Franc; Pevec, Andrej; Petriček, Saša; Petrič, Andrej; Lah, Nina; Kogej, Ksenija; Demšar, Alojz","The Solution Structures and Dynamics and the Solid-State Structures of Substituted Cyclopentadienyltitanium(IV) Trifluorides","Inorganic Chemistry","2006","45","19","7915","7921","10.1021/ic060714w","","","0.71073","MoKα","","0.0638","0.0512","","","0.1298","0.1374","","","","","","1.098","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332703","14.0788","0.0001","32.4703","0.0003","14.6253","0.0001","90","","117.455","0.0004","90","","5932.85","0.08","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C42 H70 Cl2 F12 Sn2 Ti4 -","- C42 H70 Cl2 F12 Sn2 Ti4 -","- C168 H280 Cl8 F48 Sn8 Ti16 -","4","1","","Perdih, Franc; Pevec, Andrej; Petriček, Saša; Petrič, Andrej; Lah, Nina; Kogej, Ksenija; Demšar, Alojz","The Solution Structures and Dynamics and the Solid-State Structures of Substituted Cyclopentadienyltitanium(IV) Trifluorides","Inorganic Chemistry","2006","45","19","7915","7921","10.1021/ic060714w","","","0.71073","MoKα","","0.085","0.052","","","0.1324","0.1492","","","","","","1.078","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332704","14.004","0.001","17.321","0.002","17.171","0.002","90","","113.948","0.008","90","","3806.5","0.7","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C11 H25 Cl3 Co N3 O4 S2 -","- C11 H25 Cl3 Co N3 O4 S2 -","- C88 H200 Cl24 Co8 N24 O32 S16 -","8","2","","Aullón, Gabriel; Bernhardt, Paul V.; Bozoglián, Fernando; Font-Bardía, Mercè; Macpherson, Brendan P.; Martínez, Manuel; Rodríguez, Carlos; Solans, Xavier","Isomeric Distribution and Catalyzed Isomerization of Cobalt(III) Complexes with Pentadentate Macrocyclic Ligands. Importance of Hydrogen Bonding","Inorganic Chemistry","2006","45","21","8551","8562","10.1021/ic060720s","","x-ray","0.71073","MoKα","","0.0932","0.0363","","","0.0777","0.0934","","","","","","1.012","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332705","8.79","0.004","15.412","0.006","14.423","0.005","90","","104.57","0.02","90","","1891.1","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H25 Cl3 Co N3 O4 S2 -","- C11 H25 Cl3 Co N3 O4 S2 -","- C44 H100 Cl12 Co4 N12 O16 S8 -","4","1","","Aullón, Gabriel; Bernhardt, Paul V.; Bozoglián, Fernando; Font-Bardía, Mercè; Macpherson, Brendan P.; Martínez, Manuel; Rodríguez, Carlos; Solans, Xavier","Isomeric Distribution and Catalyzed Isomerization of Cobalt(III) Complexes with Pentadentate Macrocyclic Ligands. Importance of Hydrogen Bonding","Inorganic Chemistry","2006","45","21","8551","8562","10.1021/ic060720s","","","0.71073","MoKα","","0.034","0.0313","","","0.0799","0.0821","","","","","","1.261","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332706","12.908","0.003","12.997","0.003","22.956","0.016","90","","90","","90","","3851","3","293","2","293","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C11 H25 Cl3 Co N3 O4 S2 -","- C11 H25 Cl3 Co N3 O4 S2 -","- C88 H200 Cl24 Co8 N24 O32 S16 -","8","1","","Aullón, Gabriel; Bernhardt, Paul V.; Bozoglián, Fernando; Font-Bardía, Mercè; Macpherson, Brendan P.; Martínez, Manuel; Rodríguez, Carlos; Solans, Xavier","Isomeric Distribution and Catalyzed Isomerization of Cobalt(III) Complexes with Pentadentate Macrocyclic Ligands. Importance of Hydrogen Bonding","Inorganic Chemistry","2006","45","21","8551","8562","10.1021/ic060720s","","","0.71073","MoKα","","0.1867","0.0313","","","0.0469","0.0692","","","","","","0.76","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332707","8.9359","0.0002","8.9359","0.0002","8.9359","0.0002","90","","90","","90","","713.53","0.03","295","2","295.15","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Cerium Phosphide Silicide","","- Ce4 P1.77 Si1.23 -","- Ce4 P1.77 Si1.23 -","- Ce16 P7.08 Si4.92 -","4","0.0833333","","Chizhov, Pavel S.; Khasanova, Nellie R.; Baitinger, Michael; Schnelle, Walter; Prots, Yuri; Burkhardt, Ulrich; Antipov, Evgeny V.; Grin, Yuri","Ce4(P1-xSix)3-z: A First Example for the Stabilization of the Anti-Th3P4Type Structure by Substitution in the Non-Metal Substructure","Inorganic Chemistry","2006","45","18","7210","7216","10.1021/ic060726h","","","0.71073","MoKα","","0.0186","0.0169","","","0.0156","0.016","","","","2.63","2.63","2.67","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332708","10.462","0.002","11.6381","0.0008","12.9137","0.0006","100.789","0.005","110.865","0.012","111.829","0.012","1267.9","0.4","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Cl2 Cu N2 O10 S -","- C20 H30 Cl2 Cu N2 O10 S -","- C40 H60 Cl4 Cu2 N4 O20 S2 -","2","1","","Lee, Yunho; Lee, Dong-Heon; Narducci Sarjeant, Amy A.; Zakharov, Lev N.; Rheingold, Arnold L.; Karlin, Kenneth D.","Thioether Sulfur Oxygenation from O2or H2O2Reactivity of Copper Complexes with Tridentate N2SthioetherLigands","Inorganic Chemistry","2006","45","25","10098","10107","10.1021/ic060730t","","","0.71073","MoKα","","0.0421","0.0295","","","0.075","0.077","","","","","","1.068","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332709","23.364","0.002","11.4361","0.0011","24.33","0.002","90","","116.18","0.002","90","","5833.9","0.9","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H56 Cl I2 N8 O7 Ru2 -","- C58 H53 Cl I2 N8 O6 Ru2 -","- C232 H212 Cl4 I8 N32 O24 Ru8 -","4","1","","Xu, Guo-Lin; Ren, Tong","Suzuki Coupling at the Periphery of Diruthenium Coordination and Organometallic Compounds","Inorganic Chemistry","2006","45","26","10449","10456","10.1021/ic060734y","","","0.71073","MoKα","","0.0964","0.0542","","","0.1136","0.1246","","","","","","1.001","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332710","11.2942","0.0013","24.715","0.003","21.414","0.002","90","","91.823","0.002","90","","5974.4","1.1","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H30 Cl13 I2 N8 Ru2 -","- C52 H30 Cl13 I2 N8 Ru2 -","- C208 H120 Cl52 I8 N32 Ru8 -","4","1","","Xu, Guo-Lin; Ren, Tong","Suzuki Coupling at the Periphery of Diruthenium Coordination and Organometallic Compounds","Inorganic Chemistry","2006","45","26","10449","10456","10.1021/ic060734y","","","0.71073","MoKα","","0.0723","0.0463","","","0.1057","0.1137","","","","","","1.009","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332711","16.137","0.0014","28.44","0.003","18.3273","0.0017","90","","99.27","0.002","90","","8301.2","1.4","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H56 Cl13 N8 O Ru2 -","- C78 H56 Cl13 N8 O Ru2 -","- C312 H224 Cl52 N32 O4 Ru8 -","4","1","","Xu, Guo-Lin; Ren, Tong","Suzuki Coupling at the Periphery of Diruthenium Coordination and Organometallic Compounds","Inorganic Chemistry","2006","45","26","10449","10456","10.1021/ic060734y","","","0.71073","MoKα","","0.1895","0.0687","","","0.1364","0.183","","","","","","1.001","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332712","12.177","0.004","13.46","0.005","17.924","0.006","82.545","0.006","74.449","0.006","65.58","0.006","2576.4","1.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","02190","","","- C41 H43 F9 Fe2 N8 O14 S3 -","- C41 H43 F9 Fe2 N8 O14 S3 -","- C82 H86 F18 Fe4 N16 O28 S6 -","2","1","","Rohde, Jan-Uwe; Stubna, Audria; Bominaar, Emile L.; Münck, Eckard; Nam, Wonwoo; Que, Lawrence","Nonheme Oxoiron(IV) Complexes of Tris(2-pyridylmethyl)amine withcis-Monoanionic Ligands","Inorganic Chemistry","2006","45","16","6435","6445","10.1021/ic060740u","","","0.71073","MoKα","","0.0921","0.0564","","","0.1408","0.1562","","","","","","1.009","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332713","8.3774","0.0011","8.3774","0.0011","13.631","0.004","90","","90","","120","","828.5","0.3","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","04140","","","- C8 H20 Br4 Fe N -","- C8.16 H20.4 Br4 Fe N -","- C16.32 H40.8 Br8 Fe2 N2 -","2","0.166667","","Rohde, Jan-Uwe; Stubna, Audria; Bominaar, Emile L.; Münck, Eckard; Nam, Wonwoo; Que, Lawrence","Nonheme Oxoiron(IV) Complexes of Tris(2-pyridylmethyl)amine withcis-Monoanionic Ligands","Inorganic Chemistry","2006","45","16","6435","6445","10.1021/ic060740u","","","0.71073","MoKα","","0.0448","0.0291","","","0.0655","0.0718","","","","","","1.036","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332714","12.0653","0.0017","15.218","0.002","15.969","0.003","90","","90","","90","","2932.1","0.8","296","2","296","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C32 H41 Fe2 N2 -","- C32 H41 Fe2 N2 -","- C128 H164 Fe8 N8 -","4","1","","Takemoto, Shin; Ogura, Shin-ichiro; Yo, Ho; Hosokoshi, Yuko; Kamikawa, Ken; Matsuzaka, Hiroyuki","Diiron Amido−Imido Complex [(Cp*Fe)2(μ2-NHPh)(μ2-NPh)]: Synthesis and a Net Hydrogen Atom Abstraction Reaction To Form a Bis(imido) Complex","Inorganic Chemistry","2006","45","13","4871","4873","10.1021/ic060744z","","","0.71075","MoKα","","0.086","0.0485","","","0.1162","0.1309","","","","","","1.008","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332715","17.918","0.006","11.82","0.003","13.751","0.003","90","","93.07","0.02","90","","2908.2","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Fe2 N2 -","- C32 H40 Fe2 N2 -","- C128 H160 Fe8 N8 -","4","0.5","","Takemoto, Shin; Ogura, Shin-ichiro; Yo, Ho; Hosokoshi, Yuko; Kamikawa, Ken; Matsuzaka, Hiroyuki","Diiron Amido−Imido Complex [(Cp*Fe)2(μ2-NHPh)(μ2-NPh)]: Synthesis and a Net Hydrogen Atom Abstraction Reaction To Form a Bis(imido) Complex","Inorganic Chemistry","2006","45","13","4871","4873","10.1021/ic060744z","","","0.71075","MoKα","","0.0593","0.0373","","","0.0873","0.0943","","","","","","0.993","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332716","7.955","0.008","11.4","0.01","3.872","0.003","98.27","0.09","91.54","0.09","98.28","0.09","343.5","0.5","298.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H4 Cl2 Cu N4 S4 -","- C10 H4 Cl2 Cu N4 S4 -","- C10 H4 Cl2 Cu N4 S4 -","1","0.5","","Ichikawa, Shun; Kimura, Shinya; Mori, Hatsumi; Yoshida, Gosuke; Tajima, Hiroyuki","Antiferromagnetic Interaction Achieved by a 3-D Supramolecular CuIIComplex with Pyrazino-Fused TTF as the Ligand, [CuCl2(BP-TTF)]","Inorganic Chemistry","2006","45","19","7575","7577","10.1021/ic060746j","","","0.7107","MoKα","","","0.068","","","","0.09","","","","","","2.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332717","11.3141","0.0008","11.6882","0.0009","13.9765","0.001","71.865","0.009","75.406","0.009","63.465","0.008","1557.5","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H64 Cl4 Cu4 N18 -","- C54 H64 Cl4 Cu4 N18 -","- C54 H64 Cl4 Cu4 N18 -","1","0.5","","Jess, Inke; Näther, Christian","Investigations on the Synthesis, Structures, and Properties of New Copper(I) 2,3-Dimethylpyrazine Coordination Compounds","Inorganic Chemistry","2006","45","18","7446","7454","10.1021/ic060747b","","","0.71073","MoKα","","0.0581","0.0378","","","0.0937","0.1014","","","","","","1.005","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332718","11.5876","0.0006","9.4479","0.0005","13.1804","0.001","90","","90","","90","","1442.97","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cl Cu N2 -","- C6 H8 Cl Cu N2 -","- C48 H64 Cl8 Cu8 N16 -","8","1","","Jess, Inke; Näther, Christian","Investigations on the Synthesis, Structures, and Properties of New Copper(I) 2,3-Dimethylpyrazine Coordination Compounds","Inorganic Chemistry","2006","45","18","7446","7454","10.1021/ic060747b","","","0.71073","MoKα","","0.0402","0.029","","","0.0735","0.0779","","","","","","1.014","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332719","19.1059","0.0015","7.1485","0.0003","12.5575","0.001","90","","118.471","0.008","90","","1507.7","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Cl Cu N2 -","- C6 H8 Cl Cu N2 -","- C48 H64 Cl8 Cu8 N16 -","8","1","","Jess, Inke; Näther, Christian","Investigations on the Synthesis, Structures, and Properties of New Copper(I) 2,3-Dimethylpyrazine Coordination Compounds","Inorganic Chemistry","2006","45","18","7446","7454","10.1021/ic060747b","","","0.71073","MoKα","","0.0295","0.0257","","","0.0675","0.0693","","","","","","1.088","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332720","30.303","0.002","3.9135","0.0002","15.194","0.0012","90","","100.388","0.009","90","","1772.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Cl2 Cu2 N2 -","- C6 H8 Cl2 Cu2 N2 -","- C48 H64 Cl16 Cu16 N16 -","8","1","","Jess, Inke; Näther, Christian","Investigations on the Synthesis, Structures, and Properties of New Copper(I) 2,3-Dimethylpyrazine Coordination Compounds","Inorganic Chemistry","2006","45","18","7446","7454","10.1021/ic060747b","","","0.71073","MoKα","","0.0462","0.0363","","","0.0874","0.0921","","","","","","1.023","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332721","7.219","0.0008","9.4162","0.001","13.0193","0.0014","82.887","0.012","85.622","0.013","81.965","0.013","867.99","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cl3 Cu3 N4 -","- C12 H16 Cl3 Cu3 N4 -","- C24 H32 Cl6 Cu6 N8 -","2","1","","Jess, Inke; Näther, Christian","Investigations on the Synthesis, Structures, and Properties of New Copper(I) 2,3-Dimethylpyrazine Coordination Compounds","Inorganic Chemistry","2006","45","18","7446","7454","10.1021/ic060747b","","","0.71073","MoKα","","0.07","0.046","","","0.1092","0.1203","","","","","","1.03","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332722","22.1187","0.0005","15.0113","0.0004","12.0885","0.0004","90","","90","","90","","4013.75","0.19","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C40 H64 Cr N6 -","- C40 H64 Cr N6 -","- C160 H256 Cr4 N24 -","4","1","","El-Kadri, Oussama M.; Heeg, Mary Jane; Winter, Charles H.","Synthesis, Structure, and Properties of a Dimeric Chromium(II) Pyrazolato Complex with a Long Chromium−Chromium Distance. Maintenance of a Dimeric Structure in Solution and Interconversion between Dimeric and Monomeric Structures","Inorganic Chemistry","2006","45","14","5278","5280","10.1021/ic060749w","","","0.71073","MoKα","","0.0922","0.0527","","","0.097","0.1121","","","","","","0.975","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332723","22.0245","0.0005","11.5535","0.0002","20.0968","0.0004","90","","107.483","0.001","90","","4877.61","0.17","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C44 H76 Cr2 N8 -","- C44 H76 Cr2 N8 -","- C176 H304 Cr8 N32 -","4","1","","El-Kadri, Oussama M.; Heeg, Mary Jane; Winter, Charles H.","Synthesis, Structure, and Properties of a Dimeric Chromium(II) Pyrazolato Complex with a Long Chromium−Chromium Distance. Maintenance of a Dimeric Structure in Solution and Interconversion between Dimeric and Monomeric Structures","Inorganic Chemistry","2006","45","14","5278","5280","10.1021/ic060749w","","","0.71073","MoKα","","0.083","0.0492","","","0.1216","0.1334","","","","","","1.087","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332724","10.8799","0.001","11.1321","0.001","19.5728","0.001","78.261","0.01","89.715","0.01","68.699","0.01","2156.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 Mn2 O16 Yb -","- C34 H48 Mn2 O16 Yb -","- C68 H96 Mn4 O32 Yb2 -","2","1","","Poplaukhin, Pavel V.; Chen, Xuenian; Meyers, Edward A.; Shore, Sheldon G.","Lanthanide−Transition Metal Carbonyl Complexes: Condensation of Solvent-Separated Ion-Pair Compounds into Extended Structures","Inorganic Chemistry","2006","45","25","10115","10125","10.1021/ic060756k","","","0.71073","MoKα","","0.0605","0.0375","","","0.0946","0.1053","","","","","","1.029","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332725","10.0421","0.001","10.7667","0.001","19.7414","0.001","94.585","0.01","92.613","0.01","92.898","0.01","2122.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 O16 Re2 Yb -","- C34 H48 O16 Re2 Yb -","- C68 H96 O32 Re4 Yb2 -","2","1","","Poplaukhin, Pavel V.; Chen, Xuenian; Meyers, Edward A.; Shore, Sheldon G.","Lanthanide−Transition Metal Carbonyl Complexes: Condensation of Solvent-Separated Ion-Pair Compounds into Extended Structures","Inorganic Chemistry","2006","45","25","10115","10125","10.1021/ic060756k","","","0.71073","MoKα","","0.0704","0.0517","","","0.1314","0.14","","","","","","1.076","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332726","16.7912","0.001","10.3793","0.001","19.6009","0.001","90","","93.357","0.01","90","","3410.2","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Mn2 O14 Yb -","- C26 H36 Mn2 O14 Yb -","- C104 H144 Mn8 O56 Yb4 -","4","0.5","","Poplaukhin, Pavel V.; Chen, Xuenian; Meyers, Edward A.; Shore, Sheldon G.","Lanthanide−Transition Metal Carbonyl Complexes: Condensation of Solvent-Separated Ion-Pair Compounds into Extended Structures","Inorganic Chemistry","2006","45","25","10115","10125","10.1021/ic060756k","","","0.71073","MoKα","","0.0734","0.0443","","","0.0952","0.1055","","","","","","1.017","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332727","11.3065","0.001","18.9475","0.001","15.6224","0.001","90","","95.881","0.01","90","","3329.2","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Mn2 O14 Yb -","- C26 H32 Mn2 O14 Yb -","- C104 H128 Mn8 O56 Yb4 -","4","0.5","","Poplaukhin, Pavel V.; Chen, Xuenian; Meyers, Edward A.; Shore, Sheldon G.","Lanthanide−Transition Metal Carbonyl Complexes: Condensation of Solvent-Separated Ion-Pair Compounds into Extended Structures","Inorganic Chemistry","2006","45","25","10115","10125","10.1021/ic060756k","","","0.71073","MoKα","","0.0463","0.0362","","","0.0829","0.087","","","","","","1.058","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332728","8.8567","0.001","16.6528","0.001","15.9064","0.001","90","","94.95","0.01","90","","2337.3","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Mn3 O12 -","- C18 H16 Mn3 O12 -","- C72 H64 Mn12 O48 -","4","1","","Poplaukhin, Pavel V.; Chen, Xuenian; Meyers, Edward A.; Shore, Sheldon G.","Lanthanide−Transition Metal Carbonyl Complexes: Condensation of Solvent-Separated Ion-Pair Compounds into Extended Structures","Inorganic Chemistry","2006","45","25","10115","10125","10.1021/ic060756k","","","0.71073","MoKα","","0.0504","0.0331","","","0.0801","0.0883","","","","","","1.026","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332729","11.6814","0.001","22.7064","0.001","12.782","0.001","90","","114.186","0.01","90","","3092.7","0.5","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C48 H40 Mn6 O33 Yb -","- C48 H40 Mn6 O33 Yb -","- C96 H80 Mn12 O66 Yb2 -","2","0.5","","Poplaukhin, Pavel V.; Chen, Xuenian; Meyers, Edward A.; Shore, Sheldon G.","Lanthanide−Transition Metal Carbonyl Complexes: Condensation of Solvent-Separated Ion-Pair Compounds into Extended Structures","Inorganic Chemistry","2006","45","25","10115","10125","10.1021/ic060756k","","","0.71073","MoKα","","0.0466","0.0327","","","0.0762","0.0814","","","","","","1.04","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332730","10.0812","0.0002","10.0812","0.0002","6.199","0.0002","90","","90","","90","","630.01","0.03","293","2","293","2","","","","","","","","6","P 4/n b m :2","-P 4a 2b","125","","","","- C8 H8 Cl Co N5 O6 -","- C8 H8 Cl Co N5 O6 -","- C16 H16 Cl2 Co2 N10 O12 -","2","0.125","","Liu, Tao; Chen, Yi-Hong; Zhang, Yan-Juan; Wang, Zhe-Ming; Gao, Song","NaCl-Type Frameworks of [M(pyrazine)2NO2]ClO4(M = Co, Cu), the First Examples Containing μ1,3-Nitrito Bridges Showing Antiferromagnetism","Inorganic Chemistry","2006","45","23","9148","9150","10.1021/ic060759x","","","0.71073","MoKα","","0.0417","0.0359","","","0.0993","0.1032","","","","","","1.121","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332731","9.7253","0.0002","9.7253","0.0002","6.6458","0.0003","90","","90","","90","","628.57","0.03","293","2","293","2","","","","","","","","6","P 4/n b m :2","-P 4a 2b","125","","","","- C8 H8 Cl Cu N5 O6 -","- C8 H8 Cl Cu N5 O6 -","- C16 H16 Cl2 Cu2 N10 O12 -","2","0.125","","Liu, Tao; Chen, Yi-Hong; Zhang, Yan-Juan; Wang, Zhe-Ming; Gao, Song","NaCl-Type Frameworks of [M(pyrazine)2NO2]ClO4(M = Co, Cu), the First Examples Containing μ1,3-Nitrito Bridges Showing Antiferromagnetism","Inorganic Chemistry","2006","45","23","9148","9150","10.1021/ic060759x","","","0.71073","MoKα","","0.0396","0.0339","","","0.0929","0.096","","","","","","1.119","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332732","10.9722","0.0004","21.5961","0.0007","28.0216","0.0008","90","","90","","90","","6639.9","0.4","295","2","295","2","","","","","","","synthesis as described","8","P b c b","-P 2bc 2b","54","","","","- C30 H48 Cu4 K3 N6 O50 Si W11 -","- C30 H24 Cu4 K3 N6 O50 Si W11 -","- C120 H96 Cu16 K12 N24 O200 Si4 W44 -","4","0.5","","San Felices, Leire; Vitoria, Pablo; Gutiérrez-Zorrilla, Juan M.; Lezama, Luis; Reinoso, Santiago","Hybrid Inorganic−Metalorganic Compounds Containing Copper(II)-Monosubstituted Keggin Polyanions and Polymeric Copper(I) Complexes.","Inorganic Chemistry","2006","45","19","7748","7757","10.1021/ic060762g","","x-ray","0.71073","MoKα","","0.098","0.0778","","","0.1477","0.1523","","","","","","1.31","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332733","10.8974","0.0007","13.1029","0.001","21.4442","0.0013","87.227","0.006","85.004","0.005","84.328","0.006","3033","0.4","293","2","293","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C30 H47 Cu K N5 O45 Si W11 -","- C30 H35 Cu K N5 O45 Si W11 -","- C60 H70 Cu2 K2 N10 O90 Si2 W22 -","2","1","","San Felices, Leire; Vitoria, Pablo; Gutiérrez-Zorrilla, Juan M.; Lezama, Luis; Reinoso, Santiago","Hybrid Inorganic−Metalorganic Compounds Containing Copper(II)-Monosubstituted Keggin Polyanions and Polymeric Copper(I) Complexes.","Inorganic Chemistry","2006","45","19","7748","7757","10.1021/ic060762g","","x-ray","0.71073","MoKα","","0.0984","0.0448","","","0.0748","0.0822","","","","","","0.813","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332734","21.253","0.002","21.792","0.001","27.105","0.001","90","","101.79","0.006","90","","12288.7","1.4","293","2","293","2","","","","","","","synthesis as described","8","P 1 21/a 1","-P 2yab","14","","","","- C60 H56 Cu8 N12 Na4 O88 P2 W22 -","- C60 H48 Cu7.998 N12 Na4 O88 P2 W22.002 -","- C240 H192 Cu31.992 N48 Na16 O352 P8 W88.008 -","4","1","","San Felices, Leire; Vitoria, Pablo; Gutiérrez-Zorrilla, Juan M.; Lezama, Luis; Reinoso, Santiago","Hybrid Inorganic−Metalorganic Compounds Containing Copper(II)-Monosubstituted Keggin Polyanions and Polymeric Copper(I) Complexes.","Inorganic Chemistry","2006","45","19","7748","7757","10.1021/ic060762g","","x-ray","0.71069","MoKα","","0.2097","0.0695","","","0.111","0.1393","","","","","","0.807","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332735","8.6926","0.0003","8.6926","0.0003","40.452","0.002","90","","90","","120","","2647.1","0.18","150","1","150","1","","","","","","","","7","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C12 H12 Br N4 O3 Re S2 -","- C12 H12 Br N4 O3 Re S2 -","- C72 H72 Br6 N24 O18 Re6 S12 -","6","0.5","","Silva, Rosalice M.; Liddle, Brendan J.; Lindeman, Sergey J.; Smith, Mark D.; Gardinier, James R.","Ligand-Promoted Solvent-Dependent Ionization and Conformational Equilibria of Re(CO)3Br[CH2(S-tim)2] (tim = 1-methylthioimidazolyl). Crystal Structures of Re(CO)3Br[CH2(S-tim)2] and {Re(CO)3(CH3CN)[CH2(S-tim)2]}(PF6)","Inorganic Chemistry","2006","45","17","6794","6802","10.1021/ic060765t","","","0.71073","MoKα","","0.0328","0.0327","","","0.0777","0.0777","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4332736","13.635","0.002","13.746","0.002","23.788","0.004","90","","90","","90","","4458.5","1.2","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C14 H15 F6 N5 O3 P Re S2 -","- C14 H15 F6 N5 O3 P Re S2 -","- C112 H120 F48 N40 O24 P8 Re8 S16 -","8","1","","Silva, Rosalice M.; Liddle, Brendan J.; Lindeman, Sergey J.; Smith, Mark D.; Gardinier, James R.","Ligand-Promoted Solvent-Dependent Ionization and Conformational Equilibria of Re(CO)3Br[CH2(S-tim)2] (tim = 1-methylthioimidazolyl). Crystal Structures of Re(CO)3Br[CH2(S-tim)2] and {Re(CO)3(CH3CN)[CH2(S-tim)2]}(PF6)","Inorganic Chemistry","2006","45","17","6794","6802","10.1021/ic060765t","","","0.71073","MoKα","","0.0225","0.0184","","","0.044","0.0453","","","","","","1.033","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332737","17.8627","0.001","17.8627","0.001","45.776","0.005","90","","90","","120","","12649.2","1.7","173","2","173","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C68 H104 B3 Cl Fe3 N39 Ni2 O19 -","- C68 H103.94 B3 Cl Fe3 N39 Ni2 O19 -","- C272 H415.76 B12 Cl4 Fe12 N156 Ni8 O76 -","4","0.333333","","Gu, Zhi-Guo; Yang, Qiao-Fang; Liu, Wei; Song, You; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Cyano-Bridged Pentanuclear FeIII3MII2(M = Ni, Co, Fe) Clusters: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2006","45","22","8895","8901","10.1021/ic060772h","","","0.71073","MoKα","","0.0798","0.0509","","","0.1258","0.1308","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332738","18.0622","0.0019","18.0622","0.0019","45.948","0.01","90","","90","","120","","12982","3","293","2","173","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C68 H104 B4 F4 Fe5 N39 O15 -","- C68 H104 B4 F4 Fe5 N39 O15 -","- C272 H416 B16 F16 Fe20 N156 O60 -","4","0.333333","","Gu, Zhi-Guo; Yang, Qiao-Fang; Liu, Wei; Song, You; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Cyano-Bridged Pentanuclear FeIII3MII2(M = Ni, Co, Fe) Clusters: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2006","45","22","8895","8901","10.1021/ic060772h","","","0.71073","MoKα","","0.097","0.0586","","","0.1106","0.1174","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332739","28.9096","0.0003","28.9096","0.0003","11.1722","0.0003","90","","90","","90","","9337.3","0.3","150","","150","","","","","","","","I. Gass/E. Brechin","5","I 41/a :2","-I 4ad","88","","","","- C96 H80 Fe8 N16 O20 -","- C96 H80 Fe8 N16 O20 -","- C384 H320 Fe32 N64 O80 -","4","0.25","","Gass, Ian A.; Milios, Constantinos J.; Whittaker, A. Gavin; Fabiani, Francesca P. A.; Parsons, Simon; Murrie, Mark; Perlepes, Spyros P.; Brechin, Euan K.","A Cube in a Tetrahedron: Microwave-Assisted Synthesis of an Octametallic FeIIICluster","Inorganic Chemistry","2006","45","14","5281","5283","10.1021/ic0607843","","","0.71073","MoKα","","0.0775","0.0384","","0.0867","0.0734","0.0867","","","","","","0.6355","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332740","10.799","0.0009","10.799","0.0009","12.511","0.002","90","","90","","90","","1459","0.3","294","2","294","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C10 H10 Cr Eu N2 O12 -","- C10 H10 Cr Eu N2 O12 -","- C40 H40 Cr4 Eu4 N8 O48 -","4","0.25","","Zhai, Bin; Yi, Long; Wang, Hong-Shen; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","First 3D 3d−4f Interpenetrating Structure: Synthesis, Reaction, and Characterization of {[LnCr(IDA)2(C2O4)]}n","Inorganic Chemistry","2006","45","21","8471","8473","10.1021/ic060787f","","","0.71073","MoKα","","0.0291","0.0211","","","0.0598","0.069","","","","","","1.048","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332741","10.8168","0.0007","10.8168","0.0007","12.5692","0.0017","90","","90","","90","","1470.6","0.2","294","2","294","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C10 H10 Cr N2 O12 Sm -","- C10 H10 Cr N2 O12 Sm -","- C40 H40 Cr4 N8 O48 Sm4 -","4","0.25","","Zhai, Bin; Yi, Long; Wang, Hong-Shen; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","First 3D 3d−4f Interpenetrating Structure: Synthesis, Reaction, and Characterization of {[LnCr(IDA)2(C2O4)]}n","Inorganic Chemistry","2006","45","21","8471","8473","10.1021/ic060787f","","","0.71073","MoKα","","0.0286","0.0213","","","0.0544","0.0609","","","","","","1.072","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332742","11.573","0.0004","26.037","0.0011","8.511","0.0003","90","","120.907","0.0019","90","","2200.42","0.15","90","0.2","90","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H32 B N O3 -","- C23 H32 B N O3 -","- C92 H128 B4 N4 O12 -","4","1","","Mitra, Amitabha; DePue, Lauren J.; Struss, Jeffrey E.; Patel, Bijal P.; Parkin, Sean; Atwood, David A.","Mononuclear Schiff Base Boron Halides: Synthesis, Characterization, and Dealkylation of Trimethyl Phosphate","Inorganic Chemistry","2006","45","23","9213","9224","10.1021/ic0607890","","","0.71073","MoKα","","0.098","0.0512","","","0.095","0.1108","","","","","","1.034","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332743","16.2045","0.0003","11.2564","0.0003","10.4662","0.0005","90","","94.729","0.0011","90","","1902.58","0.11","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 B N O3 -","- C19 H30 B N O3 -","- C76 H120 B4 N4 O12 -","4","1","","Mitra, Amitabha; DePue, Lauren J.; Struss, Jeffrey E.; Patel, Bijal P.; Parkin, Sean; Atwood, David A.","Mononuclear Schiff Base Boron Halides: Synthesis, Characterization, and Dealkylation of Trimethyl Phosphate","Inorganic Chemistry","2006","45","23","9213","9224","10.1021/ic0607890","","","0.71073","MoKα","","0.1418","0.0556","","","0.1277","0.1583","","","","","","0.924","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332744","11.6315","0.0001","11.825","0.0001","16.5808","0.0002","100.113","0.0004","102.162","0.0005","115.911","0.0005","1910.1","0.04","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C18.15 H27.46 B Cl0.85 N O2.15 -","- C18.155 H27.465 B Cl0.845 N O2.155 -","- C72.62 H109.86 B4 Cl3.38 N4 O8.62 -","4","2","","Mitra, Amitabha; DePue, Lauren J.; Struss, Jeffrey E.; Patel, Bijal P.; Parkin, Sean; Atwood, David A.","Mononuclear Schiff Base Boron Halides: Synthesis, Characterization, and Dealkylation of Trimethyl Phosphate","Inorganic Chemistry","2006","45","23","9213","9224","10.1021/ic0607890","","","0.71073","MoKα","","0.0834","0.0523","","","0.1419","0.1599","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332745","11.5811","0.0001","11.9058","0.0001","16.5674","0.0001","101.173","0.0003","101.36","0.0004","115.803","0.0003","1912.52","0.03","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H27 B Br N O2 -","- C18 H27 B Br N O2 -","- C72 H108 B4 Br4 N4 O8 -","4","2","","Mitra, Amitabha; DePue, Lauren J.; Struss, Jeffrey E.; Patel, Bijal P.; Parkin, Sean; Atwood, David A.","Mononuclear Schiff Base Boron Halides: Synthesis, Characterization, and Dealkylation of Trimethyl Phosphate","Inorganic Chemistry","2006","45","23","9213","9224","10.1021/ic0607890","","","0.71073","MoKα","","0.0388","0.0267","","","0.0598","0.0641","","","","","","1.017","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332746","12.9606","0.0002","19.6141","0.0003","51.9064","0.0007","90","","90","","90","","13195.2","0.3","90","0.2","90","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H54 B2 Cl4 N2 O5 -","- C44 H54 B2 Cl4 N2 O5 -","- C528 H648 B24 Cl48 N24 O60 -","12","3","","Mitra, Amitabha; DePue, Lauren J.; Struss, Jeffrey E.; Patel, Bijal P.; Parkin, Sean; Atwood, David A.","Mononuclear Schiff Base Boron Halides: Synthesis, Characterization, and Dealkylation of Trimethyl Phosphate","Inorganic Chemistry","2006","45","23","9213","9224","10.1021/ic0607890","","","1.54178","CuKα","","0.1066","0.0718","","","0.173","0.1947","","","","","","1.072","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332747","12.1241","0.0002","12.374","0.0002","12.447","0.0002","73.7525","0.0006","89.0625","0.0007","62.5102","0.0006","1576.34","0.05","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H39 B N O4 P -","- C36.5 H39 B N O4 P -","- C73 H78 B2 N2 O8 P2 -","2","1","","Mitra, Amitabha; DePue, Lauren J.; Struss, Jeffrey E.; Patel, Bijal P.; Parkin, Sean; Atwood, David A.","Mononuclear Schiff Base Boron Halides: Synthesis, Characterization, and Dealkylation of Trimethyl Phosphate","Inorganic Chemistry","2006","45","23","9213","9224","10.1021/ic0607890","","","0.71073","MoKα","","0.1036","0.0501","","","0.1109","0.1318","","","","","","1.005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332748","26.368","0.005","15.672","0.003","17.01","0.003","90","","102.206","0.003","90","","6870","2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H62 Ag4 Au2 N12 -","- C80 H62 Ag4 Au2 N12 -","- C320 H248 Ag16 Au8 N48 -","4","0.5","","Mohamed, Ahmed A.; Galassi, Rossana; Papa, Fabrizio; Burini, Alfredo; Fackler, John P.","Gold(I) and Silver(I) Mixed-Metal Trinuclear Complexes: Dimeric Products from the Reaction of Gold(I) Carbeniates or Benzylimidazolates with Silver(I) 3,5-Diphenylpyrazolate†","Inorganic Chemistry","2006","45","19","7770","7776","10.1021/ic060792j","","","0.71073","MoKα","","0.073","0.0433","","","0.073","0.0781","","","","","","1.082","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332749","9.688","0.003","15.542","0.004","23.689","0.006","82.56","0.005","87.887","0.006","78.06","0.005","3460.1","1.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Ag2 Au N5 O -","- C40 H34 Ag2 Au N5 O -","- C160 H136 Ag8 Au4 N20 O4 -","4","2","","Mohamed, Ahmed A.; Galassi, Rossana; Papa, Fabrizio; Burini, Alfredo; Fackler, John P.","Gold(I) and Silver(I) Mixed-Metal Trinuclear Complexes: Dimeric Products from the Reaction of Gold(I) Carbeniates or Benzylimidazolates with Silver(I) 3,5-Diphenylpyrazolate†","Inorganic Chemistry","2006","45","19","7770","7776","10.1021/ic060792j","","","0.71073","MoKα","","0.2057","0.0721","","","0.1249","0.164","","","","","","0.764","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332750","7.575","0.0004","7.575","0.0004","12.9268","0.0011","90","","90","","120","","642.37","0.07","295","2","295","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- B H2 Mn O6 P -","- B H2 Mn O6 P -","- B6 H12 Mn6 O36 P6 -","6","1","","Huang, Ya-Xi; Ewald, Bastian; Schnelle, Walter; Prots, Yurii; Kniep, Rüdiger","Chirality and Magnetism in a Novel Series of Isotypic Borophosphates: MII[BPO4(OH)2] (MII= Mn, Fe, Co)","Inorganic Chemistry","2006","45","19","7578","7580","10.1021/ic0607991","","","0.71073","MoKα","","0.03","0.026","","","0.054","0.056","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332751","7.4844","0.0004","7.4844","0.0004","12.8436","0.0011","90","","90","","120","","623.06","0.07","293","2","295","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- B Fe H2 O6 P -","- B Fe H2 O6 P -","- B6 Fe6 H12 O36 P6 -","6","1","","Huang, Ya-Xi; Ewald, Bastian; Schnelle, Walter; Prots, Yurii; Kniep, Rüdiger","Chirality and Magnetism in a Novel Series of Isotypic Borophosphates: MII[BPO4(OH)2] (MII= Mn, Fe, Co)","Inorganic Chemistry","2006","45","19","7578","7580","10.1021/ic0607991","","","0.71073","MoKα","","0.032","0.028","","","0.059","0.064","","","","","","1.198","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332752","7.4554","0.0002","7.4554","0.0002","12.7397","0.001","90","","90","","120","","613.24","0.05","295","2","295","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Co[BPO4(OH)2]","","","- B Co H2 O6 P -","- B Co H2 O6 P -","- B6 Co6 H12 O36 P6 -","6","1","","Huang, Ya-Xi; Ewald, Bastian; Schnelle, Walter; Prots, Yurii; Kniep, Rüdiger","Chirality and Magnetism in a Novel Series of Isotypic Borophosphates: MII[BPO4(OH)2] (MII= Mn, Fe, Co)","Inorganic Chemistry","2006","45","19","7578","7580","10.1021/ic0607991","","","0.71073","MoKα","","0.033","0.028","","","0.054","0.057","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332753","11.8098","0.0006","11.8098","0.0006","27.279","0.003","90","","90","","120","","3294.9","0.4","273","2","273","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H15 Ag Eu N3 O8 -","- C20 H15 Ag Eu N3 O8 -","- C120 H90 Ag6 Eu6 N18 O48 -","6","0.5","","Gu, Xiaojun; Xue, Dongfeng","Spontaneously Resolved Homochiral 3D Lanthanide−Silver Heterometallic Coordination Framework with Extended Helical Ln−O−Ag Subunits","Inorganic Chemistry","2006","45","23","9257","9261","10.1021/ic060806l","","","0.71073","MoKα","","0.045","0.0308","","","0.0515","0.0556","","","","","","1.026","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332754","11.8241","0.0008","11.8241","0.0008","27.418","0.003","90","","90","","120","","3319.7","0.5","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H15 Ag N3 Nd O8 -","- C20 H15 Ag N3 Nd O8 -","- C120 H90 Ag6 N18 Nd6 O48 -","6","0.5","","Gu, Xiaojun; Xue, Dongfeng","Spontaneously Resolved Homochiral 3D Lanthanide−Silver Heterometallic Coordination Framework with Extended Helical Ln−O−Ag Subunits","Inorganic Chemistry","2006","45","23","9257","9261","10.1021/ic060806l","","","0.71073","MoKα","","0.05","0.0323","","","0.0568","0.0618","","","","","","1.024","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332755","9.502","0.005","16.326","0.005","10.807","0.005","90","","94","0.05","90","","1672.4","1.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H50 N6 O2 Ti -","- C32 H50 N6 O2 Ti -","- C64 H100 N12 O4 Ti2 -","2","1","","Ward, Benjamin D.; Risler, Hélène; Weitershaus, Katharina; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","2-Aminopyrrolines: New Chiral Amidinate Ligands with a Rigid Well-Defined Molecular Structure and Their Coordination to TiIV","Inorganic Chemistry","2006","45","19","7777","7787","10.1021/ic060809y","","","0.71069","MoKα","","0.102","0.0662","","","0.1299","0.1634","","","","","","1.009","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332756","11.8179","0.0008","12.6276","0.0009","12.8169","0.0009","90","","98.651","0.002","90","","1890.9","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C38 H56 N6 O2 Ti -","- C38 H56 N6 O2 Ti -","- C76 H112 N12 O4 Ti2 -","2","1","","Ward, Benjamin D.; Risler, Hélène; Weitershaus, Katharina; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","2-Aminopyrrolines: New Chiral Amidinate Ligands with a Rigid Well-Defined Molecular Structure and Their Coordination to TiIV","Inorganic Chemistry","2006","45","19","7777","7787","10.1021/ic060809y","","","0.71073","MoKα","","0.064","0.0471","","0.1129","0.1012","0.1129","","","","","","0.9849","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332757","8.605","0.005","16.71","0.005","16.677","0.005","90","","93.63","0.05","90","","2393.2","1.7","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H34 N6 Ti -","- C24 H34 N6 Ti -","- C96 H136 N24 Ti4 -","4","1","","Ward, Benjamin D.; Risler, Hélène; Weitershaus, Katharina; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","2-Aminopyrrolines: New Chiral Amidinate Ligands with a Rigid Well-Defined Molecular Structure and Their Coordination to TiIV","Inorganic Chemistry","2006","45","19","7777","7787","10.1021/ic060809y","","","0.71069","MoKα","","0.1726","0.1008","","","0.1524","0.1724","","","","","","1.18","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332758","15.973","0.0005","8.249","0.0003","22.588","0.001","90","","110.315","0.0017","90","","2791.1","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 N6 Ti -","- C28 H42 N6 Ti -","- C112 H168 N24 Ti4 -","4","1","","Ward, Benjamin D.; Risler, Hélène; Weitershaus, Katharina; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","2-Aminopyrrolines: New Chiral Amidinate Ligands with a Rigid Well-Defined Molecular Structure and Their Coordination to TiIV","Inorganic Chemistry","2006","45","19","7777","7787","10.1021/ic060809y","","","0.71073","MoKα","","0.1823","0.0645","","","0.144","0.1871","","","","","","0.921","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332759","21.222","0.003","12.1398","0.0015","15.759","0.002","90","","117.311","0.002","90","","3607.4","0.8","100","2","100","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C40 H50 N6 Ti -","- C40 H50 N6 Ti -","- C160 H200 N24 Ti4 -","4","1","","Ward, Benjamin D.; Risler, Hélène; Weitershaus, Katharina; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","2-Aminopyrrolines: New Chiral Amidinate Ligands with a Rigid Well-Defined Molecular Structure and Their Coordination to TiIV","Inorganic Chemistry","2006","45","19","7777","7787","10.1021/ic060809y","","","0.71073","MoKα","","0.06","0.0402","","0.1186","0.0938","0.1186","","","","","","0.9033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332760","15.104","0.002","47.406","0.007","15.344","0.002","90","","109.13","0.002","90","","10380","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C128 H290 N8 O80 P2 W22 Zr2 -","- C128 H290 N8 O80 P2 W22 Zr2 -","- C256 H580 N16 O160 P4 W44 Zr4 -","2","0.5","","Kholdeeva, Oxana A.; Maksimov, Gennadii M.; Maksimovskaya, Raisa I.; Vanina, Marina P.; Trubitsina, Tatiana A.; Naumov, Dmitry Yu.; Kolesov, Boris A.; Antonova, Nadya S.; Carbó, Jorge J.; Poblet, Josep M.","ZrIV-Monosubstituted Keggin-Type Dimeric Polyoxometalates: Synthesis, Characterization, Catalysis of H2O2-Based Oxidations, and Theoretical Study","Inorganic Chemistry","2006","45","18","7224","7234","10.1021/ic0608142","","x-ray","0.71073","MoKα","","0.0944","0.069","","","0.1238","0.1309","","","","","","1.081","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332761","7.8006","0.0005","15.262","0.0009","15.8084","0.001","90","","94.813","0.001","90","","1875.4","0.2","87","2","87","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 I4 N10 Pd2 -","- C28 H46 I4 N10 Pd2 -","- C56 H92 I8 N20 Pd4 -","2","0.5","","Wang, Ruihu; Jin, Chuan-Ming; Twamley, Brendan; Shreeve, Jean'ne M.","Syntheses and Characterization of Unsymmetric Dicationic Salts Incorporating Imidazolium and Triazolium Functionalities","Inorganic Chemistry","2006","45","16","6396","6403","10.1021/ic060822i","","","0.71073","MoKα","","0.0502","0.0444","","","0.095","0.0976","","","","","","1.103","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4332762","11.3183","0.0007","13.7355","0.0008","14.4994","0.0009","98.896","0.001","109.317","0.001","114.323","0.001","1824.13","0.19","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H22 Au N2 O3 P S -","- C14 H22 Au N2 O3 P S -","- C56 H88 Au4 N8 O12 P4 S4 -","4","2","","Ho, Soo Yei; Cheng, Eddie Chung-Chin; Tiekink, Edward R. T.; Yam, Vivian Wing-Wah","Luminescent Phosphine Gold(I) Thiolates: Correlation between Crystal Structure and Photoluminescent Properties in [R3PAu{SC(OMe)NC6H4NO2-4}] (R = Et, Cy, Ph) and [(Ph2P-R-PPh2){AuSC(OMe)NC6H4NO2-4}2] (R = CH2, (CH2)2, (CH2)3, (CH2)4, Fc)","Inorganic Chemistry","2006","45","20","8165","8174","10.1021/ic0608243","","","0.71069","MoKα","","0.06","0.037","","","0.072","0.079","","","","","","0.99","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332763","9.1839","0.0003","16.0097","0.0006","17.053","0.0006","90","","100.948","0.001","90","","2461.69","0.15","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Au N2 O3 P S -","- C26 H22 Au N2 O3 P S -","- C104 H88 Au4 N8 O12 P4 S4 -","4","1","","Ho, Soo Yei; Cheng, Eddie Chung-Chin; Tiekink, Edward R. T.; Yam, Vivian Wing-Wah","Luminescent Phosphine Gold(I) Thiolates: Correlation between Crystal Structure and Photoluminescent Properties in [R3PAu{SC(OMe)NC6H4NO2-4}] (R = Et, Cy, Ph) and [(Ph2P-R-PPh2){AuSC(OMe)NC6H4NO2-4}2] (R = CH2, (CH2)2, (CH2)3, (CH2)4, Fc)","Inorganic Chemistry","2006","45","20","8165","8174","10.1021/ic0608243","","","0.71069","MoKα","","0.04","0.028","","","0.057","0.061","","","","","","1","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332764","27.944","0.0014","10.8454","0.0006","30.0702","0.0015","90","","115.497","0.001","90","","8225.6","0.7","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 Au2 N4 O6 P2 S2 -","- C41 H36 Au2 N4 O6 P2 S2 -","- C328 H288 Au16 N32 O48 P16 S16 -","8","1","","Ho, Soo Yei; Cheng, Eddie Chung-Chin; Tiekink, Edward R. T.; Yam, Vivian Wing-Wah","Luminescent Phosphine Gold(I) Thiolates: Correlation between Crystal Structure and Photoluminescent Properties in [R3PAu{SC(OMe)NC6H4NO2-4}] (R = Et, Cy, Ph) and [(Ph2P-R-PPh2){AuSC(OMe)NC6H4NO2-4}2] (R = CH2, (CH2)2, (CH2)3, (CH2)4, Fc)","Inorganic Chemistry","2006","45","20","8165","8174","10.1021/ic0608243","","","0.71069","MoKα","","0.073","0.036","","","0.079","0.112","","","","","","1.01","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332765","23.1341","0.0011","12.1157","0.0006","21.9265","0.001","90","","109.478","0.001","90","","5794","0.5","223","2","223","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 Au2 Cl6 Fe N4 O6 P2 S2 -","- C52 H44 Au2 Cl6 Fe N4 O6 P2 S2 -","- C208 H176 Au8 Cl24 Fe4 N16 O24 P8 S8 -","4","0.5","","Ho, Soo Yei; Cheng, Eddie Chung-Chin; Tiekink, Edward R. T.; Yam, Vivian Wing-Wah","Luminescent Phosphine Gold(I) Thiolates: Correlation between Crystal Structure and Photoluminescent Properties in [R3PAu{SC(OMe)NC6H4NO2-4}] (R = Et, Cy, Ph) and [(Ph2P-R-PPh2){AuSC(OMe)NC6H4NO2-4}2] (R = CH2, (CH2)2, (CH2)3, (CH2)4, Fc)","Inorganic Chemistry","2006","45","20","8165","8174","10.1021/ic0608243","","","0.71069","MoKα","","0.048","0.031","","","0.07","0.087","","","","","","1.05","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332766","5.423","0.002","9.96","0.003","12.203","0.004","90","","99.21","0.05","90","","650.6","0.4","133","2","20","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diosmiumtrioxid-heptafluorid","","- F7 O3 Os2 -","- F7 O3 Os2 -","- F28 O12 Os8 -","4","1","","Shorafa, Hashem; Seppelt, Konrad","Osmium(VII) Fluorine Compounds","Inorganic Chemistry","2006","45","19","7929","7934","10.1021/ic0608290","","","0.71073","MoKα","","0.0375","0.0311","","","0.0773","0.0799","","","","","","1.079","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332767","5.4057","0.0005","5.0131","0.0005","12.1373","0.0012","90","","99.896","0.003","90","","324.02","0.05","133","2","20","","","","","","","","","3","P 1 c 1","P -2yc","7","","Osmiumdioxidtrifluorid","","- F6 O4 Os2 -","- F6 O4 Os2 -","- F12 O8 Os4 -","2","1","","Shorafa, Hashem; Seppelt, Konrad","Osmium(VII) Fluorine Compounds","Inorganic Chemistry","2006","45","19","7929","7934","10.1021/ic0608290","","","0.71073","MoKα","","0.044","0.0368","","","0.0832","0.0868","","","","","","1.072","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332768","5.4181","0.001","9.9332","0.0018","12.296","0.002","90","","99.776","0.004","90","","652.1","0.2","133","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Osmiumdioxidtrifluorid Tetramer","","- F6 O4 Os2 -","- F6 O4 Os2 -","- F24 O16 Os8 -","4","1","","Shorafa, Hashem; Seppelt, Konrad","Osmium(VII) Fluorine Compounds","Inorganic Chemistry","2006","45","19","7929","7934","10.1021/ic0608290","","","0.71073","MoKα","","0.04","0.0289","","","0.0601","0.0631","","","","","","1.071","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332769","9.2344","0.0016","4.929","0.0008","8.4825","0.0014","90","","90","","90","","386.09","0.11","133","2","20","","","","","","","","","3","P n a 21","P 2c -2n","33","","Osmiumoxidpentafluorid","","- F5 O Os -","- F5 O Os -","- F20 O4 Os4 -","4","1","","Shorafa, Hashem; Seppelt, Konrad","Osmium(VII) Fluorine Compounds","Inorganic Chemistry","2006","45","19","7929","7934","10.1021/ic0608290","","","0.71073","MoKα","","0.0458","0.0288","","","0.064","0.0695","","","","","","1.044","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332770","7.742","0.003","9.984","0.004","15.442","0.007","90.298","0.007","103.079","0.007","106.901","0.006","1109.2","0.8","218","2","218","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 Au Cl4 N4 O Pt -","- C18 H18 Au Cl4 N4 O Pt -","- C36 H36 Au2 Cl8 N8 O2 Pt2 -","2","1","","Hayoun, Rebecca; Zhong, Diane K.; Rheingold, Arnold L.; Doerrer, Linda H.","Gold(III) and Platinum(II) Polypyridyl Double Salts and a General Metathesis Route to Metallophilic Interactions","Inorganic Chemistry","2006","45","16","6120","6122","10.1021/ic060830z","","","0.71073","MoKα","","0.0419","0.0364","","","0.095","0.0997","","","","","","1.035","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332771","7.996","0.004","10.059","0.005","15.765","0.008","89.093","0.009","76.112","0.009","71.306","0.009","1163.4","1","208","2","208","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H36 Au2 Br6 Cl2 N8 O2 Pt2 -","- C36 H36 Au2 Br6 Cl2 N8 O2 Pt2 -","- C36 H36 Au2 Br6 Cl2 N8 O2 Pt2 -","1","0.5","","Hayoun, Rebecca; Zhong, Diane K.; Rheingold, Arnold L.; Doerrer, Linda H.","Gold(III) and Platinum(II) Polypyridyl Double Salts and a General Metathesis Route to Metallophilic Interactions","Inorganic Chemistry","2006","45","16","6120","6122","10.1021/ic060830z","","","0.71073","MoKα","","0.0604","0.0527","","","0.1389","0.1445","","","","","","1.024","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332772","7.7027","0.0007","9.9139","0.001","13.4536","0.0013","85.66","0.001","77.831","0.001","73.405","0.001","962.32","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H11 Au Cl3 N4 Pt -","- C17 H11 Au Cl3 N4 Pt -","- C34 H22 Au2 Cl6 N8 Pt2 -","2","1","","Hayoun, Rebecca; Zhong, Diane K.; Rheingold, Arnold L.; Doerrer, Linda H.","Gold(III) and Platinum(II) Polypyridyl Double Salts and a General Metathesis Route to Metallophilic Interactions","Inorganic Chemistry","2006","45","16","6120","6122","10.1021/ic060830z","","","0.71073","MoKα","","0.074","0.0726","","","0.2059","0.208","","","","","","1.115","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332773","6.4361","0.0011","13.337","0.002","19.6","0.003","90","","90","","90","","1682.4","0.5","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C17 H11 Au Cl N5 Pt -","- C17 H11 Au Cl N5 Pt -","- C68 H44 Au4 Cl4 N20 Pt4 -","4","0.5","","Hayoun, Rebecca; Zhong, Diane K.; Rheingold, Arnold L.; Doerrer, Linda H.","Gold(III) and Platinum(II) Polypyridyl Double Salts and a General Metathesis Route to Metallophilic Interactions","Inorganic Chemistry","2006","45","16","6120","6122","10.1021/ic060830z","","","0.71073","MoKα","","0.0278","0.0272","","","0.0622","0.0625","","","","","","1.105","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332774","15.707","0.011","14.474","0.01","7.528","0.005","90","","90","","90","","1711","2","208","2","208","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H8 Au2 Br5.24 Cl0.76 N2 -","- C10 H8 Au2 Br5.32 N2 -","- C40 H32 Au8 Br21.28 N8 -","4","0.5","","Hayoun, Rebecca; Zhong, Diane K.; Rheingold, Arnold L.; Doerrer, Linda H.","Gold(III) and Platinum(II) Polypyridyl Double Salts and a General Metathesis Route to Metallophilic Interactions","Inorganic Chemistry","2006","45","16","6120","6122","10.1021/ic060830z","","","0.71073","MoKα","","0.0411","0.0368","","","0.0958","0.0978","","","","","","1.132","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332775","8.3598","0.0011","13.8601","0.0018","15.791","0.002","90","","103.684","0.002","90","","1777.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Au2 Br6 N2 -","- C10 H8 Au2 Br6 N2 -","- C40 H32 Au8 Br24 N8 -","4","0.5","","Hayoun, Rebecca; Zhong, Diane K.; Rheingold, Arnold L.; Doerrer, Linda H.","Gold(III) and Platinum(II) Polypyridyl Double Salts and a General Metathesis Route to Metallophilic Interactions","Inorganic Chemistry","2006","45","16","6120","6122","10.1021/ic060830z","","","0.71073","MoKα","","0.0279","0.0262","","","0.0679","0.0685","","","","","","1.175","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332776","14.969","0.004","15.766","0.004","21.517","0.005","74.31","0.03","74.71","0.02","62.19","0.02","4267","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","exa(dimethylphenylphosphine)-tris(cytosinato,N3,N4)-triplatinum(II) trinitrate water acetonitrile solvated","","- C65 H89 N13 O13 P6 Pt3 -","- C65 H84 N13 O13 P6 Pt3 -","- C130 H168 N26 O26 P12 Pt6 -","2","1","","Longato, Bruno; Montagner, Diego; Zangrando, Ennio","Mono- and Polynuclear Complexes of the Model Nucleobase 1-Methylcytosine. Synthesis and Characterization ofcis-[(PMe2Ph)2Pt{(1-MeCy(−H)}]3(NO3)3andcis-[(PPh3)2Pt{1-MeCy(−H)}(1-MeCy)]NO3","Inorganic Chemistry","2006","45","20","8179","8187","10.1021/ic060831r","","","0.71073","Mokα","","0.1048","0.0566","","","0.1256","0.1392","","","","","","0.87","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332777","13.19","0.003","38.648","0.005","9.754","0.003","90","","110.3","0.02","90","","4663","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-bis(triphenylphosphine)-(cytosine,N3)-(cytosinato,N4) -platinum(II) nitrate water dimethylformamide solvated","","- C49 H52 N8 O7 P2 Pt -","- C49 H52 N8 O7 P2 Pt -","- C196 H208 N32 O28 P8 Pt4 -","4","1","","Longato, Bruno; Montagner, Diego; Zangrando, Ennio","Mono- and Polynuclear Complexes of the Model Nucleobase 1-Methylcytosine. Synthesis and Characterization ofcis-[(PMe2Ph)2Pt{(1-MeCy(−H)}]3(NO3)3andcis-[(PPh3)2Pt{1-MeCy(−H)}(1-MeCy)]NO3","Inorganic Chemistry","2006","45","20","8179","8187","10.1021/ic060831r","","","1","synchrotron","","0.031","0.0288","","","0.0773","0.0791","","","","","","1.07","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332778","10.762","0.0002","14.6654","0.0003","23.8645","0.0006","73.733","0.001","77.584","0.001","78.999","0.001","3496.73","0.13","173","1","173","1","","","","","","","","5","P -1","-P 1","2","1.2THF","","","- C80 H72 Ag4 O10 Pt2 -","- C80 H72 Ag4 O10 Pt2 -","- C160 H144 Ag8 O20 Pt4 -","2","1","","Gil, Belén; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa","Influence of Solvent and Weak C−H···O Contacts in the Self-Assembled [Pt2M4{C⋮C(3-OMe)C6H4}8] (M = Cu, Ag) Clusters and Their Role in the Luminescence Behavior","Inorganic Chemistry","2006","45","19","7788","7798","10.1021/ic0608344","","","0.71073","MoKα","","0.091","0.0511","","","0.0938","0.1084","","","","","","1.034","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332779","14.873","0.0001","16.728","0.0002","24.561","0.0003","90","","90","","90","","6110.67","0.11","173","1","173","1","","","","","","","","5","P n a a","-P 2ac 2bc","56","Complex 1n","","","- C144 H112 Ag8 O16 Pt4 -","- C144 H112 Ag8 O16 Pt4 -","- C288 H224 Ag16 O32 Pt8 -","2","0.25","","Gil, Belén; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa","Influence of Solvent and Weak C−H···O Contacts in the Self-Assembled [Pt2M4{C⋮C(3-OMe)C6H4}8] (M = Cu, Ag) Clusters and Their Role in the Luminescence Behavior","Inorganic Chemistry","2006","45","19","7788","7798","10.1021/ic0608344","","","0.71073","MoKα","","0.0947","0.071","","","0.1544","0.1638","","","","","","1.097","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332780","11.6956","0.0013","15.1811","0.0008","16.858","0.002","91.544","0.014","108.992","0.014","91.305","0.011","2827.6","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H41 Ag4 Cl3 Pt2 -","- C65 H41 Ag4 Cl3 Pt2 -","- C130 H82 Ag8 Cl6 Pt4 -","2","1","","Gil, Belén; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa","Influence of Solvent and Weak C−H···O Contacts in the Self-Assembled [Pt2M4{C⋮C(3-OMe)C6H4}8] (M = Cu, Ag) Clusters and Their Role in the Luminescence Behavior","Inorganic Chemistry","2006","45","19","7788","7798","10.1021/ic0608344","","","0.71073","MoKα","","0.0565","0.0406","","0.097","0.0871","","","","1.174","1.197","1.197","","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332781","12.118","0.0009","12.6539","0.0009","24.0347","0.0018","90","","93.823","0.002","90","","3677.3","0.5","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Rh trimer, R=CH2CH2Cl","","","- C18 H31 Cl7 O20.5 Rh3 -","- C18 H30 Cl7 O20.5 Rh3 -","- C72 H120 Cl28 O82 Rh12 -","4","1","","Houston, Jacqueline R.; Olmstead, Marilyn M.; Casey, William H.","Substituent Effects in Five Oxo-Centered Trinuclear Rhodium(III) Clusters","Inorganic Chemistry","2006","45","19","7799","7805","10.1021/ic060837g","","","0.71073","MoKα","","0.0711","0.0452","","","0.1106","0.1272","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332782","13.3174","0.0017","29.568","0.004","21.286","0.003","90","","90.295","0.006","90","","8382","2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Rh~2~(O~2~CR)~4~(H~2~O)~2~, R=CH~2~CH~2~Cl","","","- C12 H18 Cl4 O10 Rh2 -","- C12 H18 Cl4 O10 Rh2 -","- C192 H288 Cl64 O160 Rh32 -","16","4","","Houston, Jacqueline R.; Olmstead, Marilyn M.; Casey, William H.","Substituent Effects in Five Oxo-Centered Trinuclear Rhodium(III) Clusters","Inorganic Chemistry","2006","45","19","7799","7805","10.1021/ic060837g","","","0.71073","MoKα","","0.0709","0.0587","","","0.1535","0.1653","","","","","","1.047","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332783","29.0204","0.0015","14.8456","0.0008","13.4913","0.0007","90","","100.314","0.001","90","","5718.5","0.5","300","2","300","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C48 H24 Cl13 N6 O4 Ru2 -","- C48 H24 Cl13 N6 O4 Ru2 -","- C192 H96 Cl52 N24 O16 Ru8 -","4","1","","Chen, Wei-Zhong; Ren, Tong","Preparation and Characterization of a Family of Ru2Compounds Bearing Iodo/Ethynyl Substituents on the Periphery","Inorganic Chemistry","2006","45","20","8156","8164","10.1021/ic0608389","","","0.71073","MoKα","","0.0604","0.0427","","","0.096","0.1022","","","","","","1.029","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332784","11.247","0.003","12.382","0.002","18.534","0.005","77.32","0.02","73.25","0.02","72.07","0.013","2327.2","1","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H21 Cl9 N4 O7 Ru2 -","- C38 H20 Cl9 N4 O7 Ru2 -","- C76 H40 Cl18 N8 O14 Ru4 -","2","1","","Chen, Wei-Zhong; Ren, Tong","Preparation and Characterization of a Family of Ru2Compounds Bearing Iodo/Ethynyl Substituents on the Periphery","Inorganic Chemistry","2006","45","20","8156","8164","10.1021/ic0608389","","","0.71073","MoKα","","0.063","0.0407","","","0.0987","0.1057","","","","","","1.005","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332785","12.8766","0.0009","13.0643","0.0009","21.5652","0.0014","107.493","0.001","91.923","0.001","104.573","0.001","3325.2","0.4","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H31 Cl13 I N8 O2 Ru2 -","- C56 H31 Cl13 I N8 O2 Ru2 -","- C112 H62 Cl26 I2 N16 O4 Ru4 -","2","1","","Chen, Wei-Zhong; Ren, Tong","Preparation and Characterization of a Family of Ru2Compounds Bearing Iodo/Ethynyl Substituents on the Periphery","Inorganic Chemistry","2006","45","20","8156","8164","10.1021/ic0608389","","","0.71073","MoKα","","0.114","0.0626","","","0.1698","0.1943","","","","","","1.011","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332786","15.416","0.002","22.943","0.004","17.11","0.004","90","","113.033","0.014","90","","5569.2","1.9","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H27 Cl9 I N6 O5 Ru2 -","- C45 H27 Cl9 I N6 O5 Ru2 -","- C180 H108 Cl36 I4 N24 O20 Ru8 -","4","1","","Chen, Wei-Zhong; Ren, Tong","Preparation and Characterization of a Family of Ru2Compounds Bearing Iodo/Ethynyl Substituents on the Periphery","Inorganic Chemistry","2006","45","20","8156","8164","10.1021/ic0608389","","","0.71073","MoKα","","0.0971","0.0548","","","0.1338","0.1511","","","","","","1.008","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332787","13.2166","0.0012","14.0803","0.0014","18.807","0.003","89.144","0.007","87.64","0.014","80.432","0.01","3448.1","0.7","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H40 Cl13 N8 O Ru2 Si -","- C60 H40 Cl13 N8 O Ru2 Si -","- C120 H80 Cl26 N16 O2 Ru4 Si2 -","2","1","","Chen, Wei-Zhong; Ren, Tong","Preparation and Characterization of a Family of Ru2Compounds Bearing Iodo/Ethynyl Substituents on the Periphery","Inorganic Chemistry","2006","45","20","8156","8164","10.1021/ic0608389","","","0.71073","MoKα","","0.0847","0.0534","","","0.1436","0.1559","","","","","","1.013","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332788","11.6248","0.001","15.1656","0.0013","32.409","0.003","90","","100.034","0.001","90","","5626.2","0.9","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 Cl13 N8 Ru2 -","- C50 H31 Cl13 N8 Ru2 -","- C200 H124 Cl52 N32 Ru8 -","4","1","","Chen, Wei-Zhong; Ren, Tong","Preparation and Characterization of a Family of Ru2Compounds Bearing Iodo/Ethynyl Substituents on the Periphery","Inorganic Chemistry","2006","45","20","8156","8164","10.1021/ic0608389","","","0.71073","MoKα","","0.0822","0.0481","","","0.1103","0.1205","","","","","","1.003","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332789","14.4436","0.0019","14.451","0.002","18.962","0.003","93.125","0.011","99.824","0.011","106.141","0.009","3724.3","1","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H51 Cl12 N8 O2 Ru2 -","- C70 H49 Cl12 N8 O2 Ru2 -","- C140 H98 Cl24 N16 O4 Ru4 -","2","1","","Chen, Wei-Zhong; Ren, Tong","Preparation and Characterization of a Family of Ru2Compounds Bearing Iodo/Ethynyl Substituents on the Periphery","Inorganic Chemistry","2006","45","20","8156","8164","10.1021/ic0608389","","","0.71073","MoKα","","0.0842","0.0513","","","0.1409","0.1547","","","","","","1.007","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332790","13.209","0.002","8.0823","0.0016","17.639","0.004","90","","90","","90","","1883.1","0.6","298","2","298","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C15 H20 B Br N6 Ni -","- C15 H20 B Br N6 Ni -","- C60 H80 B4 Br4 N24 Ni4 -","4","1","","Desrochers, Patrick J.; Telser, Joshua; Zvyagin, S. A.; Ozarowski, Andrew; Krzystek, J.; Vicic, David A.","Electronic Structure of Four-CoordinateC3vNickel(II) Scorpionate Complexes: Investigation by High-Frequency and -Field Electron Paramagnetic Resonance and Electronic Absorption Spectroscopies","Inorganic Chemistry","2006","45","22","8930","8941","10.1021/ic060843c","","","0.7107","MoKα","","0.0683","0.0532","","","0.1268","0.137","","","","","","1.062","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332791","21.37","0.004","14.035","0.003","38.065","0.008","90","","90","","90","","11417","4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C46 H90 Ga Ge K N4 Si4 -","- C46 H90 Ga Ge K N4 Si4 -","- C368 H720 Ga8 Ge8 K8 N32 Si32 -","8","2","","Green, Shaun P.; Jones, Cameron; Lippert, Kai-Alexander; Mills, David P.; Stasch, Andreas","Complexes of an Anionic Gallium(I)N-Heterocyclic Carbene Analogue with Group 14 Element(II) Fragments: Synthetic, Structural and Theoretical Studies","Inorganic Chemistry","2006","45","18","7242","7251","10.1021/ic060851t","","","0.71073","MoKα","","0.0702","0.0474","","","0.0928","0.1038","","","","","","1.026","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332792","20.846","0.004","19.909","0.004","28.145","0.006","90","","90","","90","","11681","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H90 Ga K N4 Si4 Sn -","- C46 H90 Ga K N4 Si4 Sn -","- C368 H720 Ga8 K8 N32 Si32 Sn8 -","8","1","","Green, Shaun P.; Jones, Cameron; Lippert, Kai-Alexander; Mills, David P.; Stasch, Andreas","Complexes of an Anionic Gallium(I)N-Heterocyclic Carbene Analogue with Group 14 Element(II) Fragments: Synthetic, Structural and Theoretical Studies","Inorganic Chemistry","2006","45","18","7242","7251","10.1021/ic060851t","","","0.71073","MoKα","","0.0569","0.0368","","","0.0745","0.0814","","","","","","1.021","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332793","14.497","0.0019","16.782","0.002","17.605","0.003","77.94","0.01","76.27","0.01","71.46","0.01","3903.1","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H121 Ga2 K N6 Si2 Sn -","- C71 H121 Ga2 K N6 Si2 Sn -","- C142 H242 Ga4 K2 N12 Si4 Sn2 -","2","1","","Green, Shaun P.; Jones, Cameron; Lippert, Kai-Alexander; Mills, David P.; Stasch, Andreas","Complexes of an Anionic Gallium(I)N-Heterocyclic Carbene Analogue with Group 14 Element(II) Fragments: Synthetic, Structural and Theoretical Studies","Inorganic Chemistry","2006","45","18","7242","7251","10.1021/ic060851t","","","0.71073","MoKα","","0.0653","0.0462","","","0.1053","0.1142","","","","","","1.041","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332794","12.574","0.003","20.341","0.004","25.091","0.005","93","0.03","91.05","0.03","99.22","0.03","6324","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H98 Ga K N4 Sn -","- C62 H98 Ga K N4 Sn -","- C248 H392 Ga4 K4 N16 Sn4 -","4","2","","Green, Shaun P.; Jones, Cameron; Lippert, Kai-Alexander; Mills, David P.; Stasch, Andreas","Complexes of an Anionic Gallium(I)N-Heterocyclic Carbene Analogue with Group 14 Element(II) Fragments: Synthetic, Structural and Theoretical Studies","Inorganic Chemistry","2006","45","18","7242","7251","10.1021/ic060851t","","","0.71073","MoKα","","0.1483","0.1366","","","0.3281","0.3337","","","","","","1.165","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332795","13.088","0.003","16.091","0.003","20.166","0.004","109.23","0.03","105.13","0.03","91.58","0.03","3840.8","1.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H59 Ga N2 -","- C41 H59 Ga N2 -","- C164 H236 Ga4 N8 -","4","2","","Green, Shaun P.; Jones, Cameron; Lippert, Kai-Alexander; Mills, David P.; Stasch, Andreas","Complexes of an Anionic Gallium(I)N-Heterocyclic Carbene Analogue with Group 14 Element(II) Fragments: Synthetic, Structural and Theoretical Studies","Inorganic Chemistry","2006","45","18","7242","7251","10.1021/ic060851t","","","0.71073","MoKα","","0.0733","0.0474","","","0.1015","0.1127","","","","","","1.032","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332796","17.899","0.004","18.398","0.004","17.119","0.003","90","","90.16","0.03","90","","5637","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H84 Ga Ge N5 -","- C57 H84 Ga Ge N5 -","- C228 H336 Ga4 Ge4 N20 -","4","1","","Green, Shaun P.; Jones, Cameron; Lippert, Kai-Alexander; Mills, David P.; Stasch, Andreas","Complexes of an Anionic Gallium(I)N-Heterocyclic Carbene Analogue with Group 14 Element(II) Fragments: Synthetic, Structural and Theoretical Studies","Inorganic Chemistry","2006","45","18","7242","7251","10.1021/ic060851t","","","0.71073","MoKα","","0.0533","0.0356","","","0.0742","0.0804","","","","","","1.023","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332797","10.068","0.002","20.314","0.004","26.952","0.005","90","","91.27","0.03","90","","5510.9","1.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H84 Ga N5 Sn -","- C57 H84 Ga N5 Sn -","- C228 H336 Ga4 N20 Sn4 -","4","1","","Green, Shaun P.; Jones, Cameron; Lippert, Kai-Alexander; Mills, David P.; Stasch, Andreas","Complexes of an Anionic Gallium(I)N-Heterocyclic Carbene Analogue with Group 14 Element(II) Fragments: Synthetic, Structural and Theoretical Studies","Inorganic Chemistry","2006","45","18","7242","7251","10.1021/ic060851t","","","0.71073","MoKα","","0.0677","0.0444","","","0.0873","0.0958","","","","","","1.017","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332798","12.5203","0.0005","22.9404","0.0001","26.8278","0.0005","68.242","0.007","84.9","0.008","76.956","0.008","6971.8","0.5","293.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H27 Fe N5 Ni3 O3 S30 -","- C51.75 H25 Fe N5 Ni3 O2.75 S30 -","- C207 H100 Fe4 N20 Ni12 O11 S120 -","4","2","","Takahashi, Kazuyuki; Cui, Heng-Bo; Okano, Yoshinori; Kobayashi, Hayao; Einaga, Yasuaki; Sato, Osamu","Electrical Conductivity Modulation Coupled to a High-Spin−Low-Spin Conversion in the Molecular System [FeIII(qsal)2][Ni(dmit)2]3·CH3CN·H2O","Inorganic Chemistry","2006","45","15","5739","5741","10.1021/ic060852l","","","0.7107","MoKα","","","0.0618","","","","0.0913","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332799","9.1842","0.0001","19.8044","0.0003","14.2977","0.0002","90","","101.851","0.001","90","","2545.14","0.06","200","","200","","","","","","","","?","6","P 1 21 1","P 2yb","4","","","","- C45 H54 Fe N8 O17 S2 -","- C45 H54 Fe N8 O17 S2 -","- C90 H108 Fe2 N16 O34 S4 -","2","1","","Warr, Rebecca J.; Willis, Anthony C.; Wild, S. Bruce","Inorganic Asymmetric Synthesis: Asymmetric Synthesis of a Two-Bladed Propeller, Octahedral Metal Complex","Inorganic Chemistry","2006","45","21","8618","8627","10.1021/ic060856q","","","0.71073","MoKα","","0.0461","0.0341","","0.0458","0.0401","0.0401","","","","","","1.1059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332800","12.07","0.04","13.15","0.03","14.45","0.04","82.65","0.08","68.75","0.09","65.81","0.09","1949","10","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H42 Mo6 N2 O28 P0.5 -","- C22 H42 Mo6 N2 O28 P0.5 -","- C44 H84 Mo12 N4 O56 P -","2","1","","Akutagawa, Tomoyuki; Endo, Daigoro; Imai, Hiroyuki; Noro, Shin-ichiro; Cronin, Leroy; Nakamura, Takayoshi","Formation ofp-Phenylenediamine−Crown Ether−[PMo12O40]4-Salts","Inorganic Chemistry","2006","45","21","8628","8637","10.1021/ic060857i","","","0.71075","MoKα","","","0.06","","","","0.1436","","","","","","1.293","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332801","13.59","0.03","14.57","0.03","16.16","0.03","64.74","0.06","65.32","0.06","67.15","0.07","2542","9","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H58 Mo6 N4 O30 P0.5 -","- C32 H58 Mo6 N4 O30 P0.5 -","- C64 H116 Mo12 N8 O60 P -","2","1","","Akutagawa, Tomoyuki; Endo, Daigoro; Imai, Hiroyuki; Noro, Shin-ichiro; Cronin, Leroy; Nakamura, Takayoshi","Formation ofp-Phenylenediamine−Crown Ether−[PMo12O40]4-Salts","Inorganic Chemistry","2006","45","21","8628","8637","10.1021/ic060857i","","","0.71075","MoKα","","","0.045","","","","0.0531","","","","","","1.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332802","13.74","0.03","14.52","0.02","16.26","0.03","65.13","0.06","64.74","0.06","67.12","0.06","2574","8","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H116 Mo12 N8 O60 P -","- C64 H108 Mo12 N8 O60 P -","- C64 H108 Mo12 N8 O60 P -","1","0.5","","Akutagawa, Tomoyuki; Endo, Daigoro; Imai, Hiroyuki; Noro, Shin-ichiro; Cronin, Leroy; Nakamura, Takayoshi","Formation ofp-Phenylenediamine−Crown Ether−[PMo12O40]4-Salts","Inorganic Chemistry","2006","45","21","8628","8637","10.1021/ic060857i","","","0.71075","MoKα","","","0.0434","","","","0.0646","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332803","14.241","0.006","14.617","0.005","14.878","0.006","102.682","0.013","91.732","0.017","105.289","0.016","2902","2","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H69 Mo6 N5 O32 P0.5 -","- C37 H69 Mo6 N5 O32 P0.5 -","- C74 H138 Mo12 N10 O64 P -","2","1","","Akutagawa, Tomoyuki; Endo, Daigoro; Imai, Hiroyuki; Noro, Shin-ichiro; Cronin, Leroy; Nakamura, Takayoshi","Formation ofp-Phenylenediamine−Crown Ether−[PMo12O40]4-Salts","Inorganic Chemistry","2006","45","21","8628","8637","10.1021/ic060857i","","","0.71075","MoKα","","","0.0377","","","","0.0618","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332804","13.85","0.02","9.06","0.01","12.32","0.02","90","","116.3","0.05","90","","1386","3","93.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H38 N4 O20 Ta2 -","- C12 H38 N4 O20 Ta2 -","- C24 H76 N8 O40 Ta4 -","2","0.5","","Petrykin, Valery; Kakihana, Masato; Yoshioka, Kohtaro; Sasaki, Satoshi; Ueda, Yoshihiro; Tomita, Koji; Nakamura, Yoshiyuki; Shiro, Motoo; Kudo, Akihiko","Synthesis and Structure of New Water-Soluble and Stable Tantalum Compound: Ammonium Tetralactatodiperoxo-μ-oxo-ditantalate(V)","Inorganic Chemistry","2006","45","23","9251","9256","10.1021/ic060861u","","","0.7107","MoKα","","","0.054","","","","0.12","","","","","","0.91","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4332805","9.4586","0.0014","9.4586","0.0014","12.4692","0.0019","90","","90","","120","","966.1","0.3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Co1.25 O3.67 Sr1.5 -","- Co1.25 O3.645 Sr1.5 -","- Co15 O43.74 Sr18 -","12","0.666667","","Sun, Junliang; Li, Guobao; Li, Zhaofei; You, Liping; Lin, Jianhua","Crystal Growth and Structure Determination of Oxygen-Deficient Sr6Co5O15","Inorganic Chemistry","2006","45","20","8394","8402","10.1021/ic060862m","","","0.71073","MoKα","","0.0405","0.0388","","","0.0798","0.0805","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332806","9.4401","0.0011","9.4401","0.0011","12.476","0.003","90","","90","","120","","962.9","0.3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Co1.25 O3.59 Sr1.5 -","- Co1.25 O3.543 Sr1.5 -","- Co15 O42.516 Sr18 -","12","0.666667","","Sun, Junliang; Li, Guobao; Li, Zhaofei; You, Liping; Lin, Jianhua","Crystal Growth and Structure Determination of Oxygen-Deficient Sr6Co5O15","Inorganic Chemistry","2006","45","20","8394","8402","10.1021/ic060862m","","","0.71073","MoKα","","0.0414","0.0391","","","0.085","0.0861","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332807","9.4401","0.0011","9.4401","0.0011","12.476","0.003","90","","90","","120","","962.9","0.3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Co1.25 O3.56 Sr1.5 -","- Co1.25 O3.552 Sr1.5 -","- Co15 O42.624 Sr18 -","12","0.666667","","Sun, Junliang; Li, Guobao; Li, Zhaofei; You, Liping; Lin, Jianhua","Crystal Growth and Structure Determination of Oxygen-Deficient Sr6Co5O15","Inorganic Chemistry","2006","45","20","8394","8402","10.1021/ic060862m","","","0.71073","MoKα","","0.0413","0.039","","","0.0851","0.0863","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332808","33.46","0.007","17.535","0.004","24.043","0.005","90","","90","","90","","14107","5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C145 H126 Cl10 O17 P4 S4 -","- C145 H126 Cl10 O17 P4 S4 -","- C580 H504 Cl40 O68 P16 S16 -","4","0.5","","Eisler, Dana J.; Puddephatt, Richard J.","Structure and Dynamics of Tetrakis(thiophosphinato)resorcinarene Complexes of Silver(I), Gold(I), and Palladium(II)","Inorganic Chemistry","2006","45","18","7295","7305","10.1021/ic060865z","","","0.71073","MoKα","","0.1306","0.0722","","","0.2116","0.2447","","","","","","1.07","","","","has coordinates,has disorder","179431","2020-10-21","18:00:00",""
"4332809","15.524","0.003","16.021","0.003","27.11","0.005","103.4","0.03","98.2","0.03","101.04","0.03","6313","3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C129.7 H107.4 Ag2 Cl3.7 F6 O22.35 P4 S6 -","- C129.7 H107.4 Ag2 Cl3.7 F6 O22.35 P4 S6 -","- C259.4 H214.8 Ag4 Cl7.4 F12 O44.7 P8 S12 -","2","1","","Eisler, Dana J.; Puddephatt, Richard J.","Structure and Dynamics of Tetrakis(thiophosphinato)resorcinarene Complexes of Silver(I), Gold(I), and Palladium(II)","Inorganic Chemistry","2006","45","18","7295","7305","10.1021/ic060865z","","","0.71073","MoKα","","0.0959","0.0648","","","0.1742","0.1932","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332810","27.102","0.005","28.513","0.006","37.424","0.008","90","","95.08","0.03","90","","28806","10","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C289.5 H251 Au6 Cl15.5 O25 P8 S8 -","- C289.5 H251 Au6 Cl15.5 O25 P8 S8 -","- C1158 H1004 Au24 Cl62 O100 P32 S32 -","4","1","","Eisler, Dana J.; Puddephatt, Richard J.","Structure and Dynamics of Tetrakis(thiophosphinato)resorcinarene Complexes of Silver(I), Gold(I), and Palladium(II)","Inorganic Chemistry","2006","45","18","7295","7305","10.1021/ic060865z","","","0.71073","MoKα","","0.1618","0.0954","","","0.2658","0.3163","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332811","17.021","0.003","18.537","0.004","24.719","0.005","95.69","0.03","93.33","0.03","99.61","0.03","7630","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C144.5 H120.5 Cl17.5 O16.5 P4 Pd2 S4 -","- C144.5 H120.5 Cl17.5 O16.5 P4 Pd2 S4 -","- C289 H241 Cl35 O33 P8 Pd4 S8 -","2","1","","Eisler, Dana J.; Puddephatt, Richard J.","Structure and Dynamics of Tetrakis(thiophosphinato)resorcinarene Complexes of Silver(I), Gold(I), and Palladium(II)","Inorganic Chemistry","2006","45","18","7295","7305","10.1021/ic060865z","","","0.71073","MoKα","","0.1166","0.0848","","","0.2389","0.2692","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332812","9.2736","0.0002","11.6867","0.0002","13.0068","0.0002","90","","96.403","0.001","90","","1400.85","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H22 Cl Cu0.5 N2 O4 -","- C11 H22 Cl Cu0.5 N2 O4 -","- C44 H88 Cl4 Cu2 N8 O16 -","4","1","","Lim, Jeong Hak; Kang, Jun Sung; Kim, Hyoung Chan; Koh, Eui Kwan; Hong, Chang Seop","Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged Honeycomblike Layers MV−CuII(M = Mo, W) Chelated by a Macrocyclic Ligand","Inorganic Chemistry","2006","45","19","7821","7827","10.1021/ic060868b","","","0.71073","MoKα","","0.0527","0.0404","","","0.1132","0.1209","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332813","10.3001","0.0002","16.3346","0.0004","16.4319","0.0004","74.329","0.001","86.389","0.001","78.1","0.001","2604.59","0.1","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H76 Cu1.5 Mo N14 O4 -","- C42 H66 Cu1.5 Mo N14 O4 -","- C84 H132 Cu3 Mo2 N28 O8 -","2","1","","Lim, Jeong Hak; Kang, Jun Sung; Kim, Hyoung Chan; Koh, Eui Kwan; Hong, Chang Seop","Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged Honeycomblike Layers MV−CuII(M = Mo, W) Chelated by a Macrocyclic Ligand","Inorganic Chemistry","2006","45","19","7821","7827","10.1021/ic060868b","","","0.71073","MoKα","","0.061","0.0493","","","0.1378","0.1462","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332814","10.3034","0.0002","16.2949","0.0003","16.4554","0.0003","74.449","0.001","86.021","0.001","78.316","0.001","2606.12","0.09","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H76 Cu1.5 N14 O4 W -","- C42 H66 Cu1.5 N14 O4 W -","- C84 H132 Cu3 N28 O8 W2 -","2","1","","Lim, Jeong Hak; Kang, Jun Sung; Kim, Hyoung Chan; Koh, Eui Kwan; Hong, Chang Seop","Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged Honeycomblike Layers MV−CuII(M = Mo, W) Chelated by a Macrocyclic Ligand","Inorganic Chemistry","2006","45","19","7821","7827","10.1021/ic060868b","","","0.71073","MoKα","","0.0498","0.0396","","","0.1056","0.1099","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332815","11.4282","0.0007","16.1696","0.0009","11.5471","0.0007","90","","91.53","0.001","90","","2133","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N3 O7 Pb S -","- C20 H19 N3 O7 Pb S -","- C80 H76 N12 O28 Pb4 S4 -","4","1","","Fan, Sai-Rong; Zhu, Long-Guan","Influence of the Reaction Conditions on the Self-assembly of Lead(II) 5-Sulfosalicylate Coordination Polymers with Chelating Amine Ligands","Inorganic Chemistry","2006","45","19","7935","7942","10.1021/ic060871v","","","0.71073","MoKα","","0.0288","0.0238","","","0.0558","0.058","","","","","","1.037","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332816","12.487","0.001","7.7435","0.0006","18.6162","0.0015","90","","99.537","0.001","90","","1775.2","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O7 Pb S -","- C17 H14 N2 O7 Pb S -","- C68 H56 N8 O28 Pb4 S4 -","4","1","","Fan, Sai-Rong; Zhu, Long-Guan","Influence of the Reaction Conditions on the Self-assembly of Lead(II) 5-Sulfosalicylate Coordination Polymers with Chelating Amine Ligands","Inorganic Chemistry","2006","45","19","7935","7942","10.1021/ic060871v","","","0.71073","MoKα","","0.0261","0.0224","","","0.0526","0.0541","","","","","","1.057","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332817","11.4005","0.0005","15.201","0.0007","12.6626","0.0006","90","","94.627","0.001","90","","2187.26","0.17","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O7 Pb S -","- C22 H19 N3 O7 Pb S -","- C88 H76 N12 O28 Pb4 S4 -","4","1","","Fan, Sai-Rong; Zhu, Long-Guan","Influence of the Reaction Conditions on the Self-assembly of Lead(II) 5-Sulfosalicylate Coordination Polymers with Chelating Amine Ligands","Inorganic Chemistry","2006","45","19","7935","7942","10.1021/ic060871v","","","0.71073","MoKα","","0.0262","0.0222","","","0.0549","0.0562","","","","","","1.08","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332818","11.7889","0.0007","21.5596","0.0012","18.6853","0.001","90","","106.247","0.001","90","","4559.5","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H30 N6 O12 Pb3 S2 -","- C50 H30 N6 O12 Pb3 S2 -","- C200 H120 N24 O48 Pb12 S8 -","4","1","","Fan, Sai-Rong; Zhu, Long-Guan","Influence of the Reaction Conditions on the Self-assembly of Lead(II) 5-Sulfosalicylate Coordination Polymers with Chelating Amine Ligands","Inorganic Chemistry","2006","45","19","7935","7942","10.1021/ic060871v","","","0.71073","MoKα","","0.0398","0.0307","","","0.0732","0.0767","","","","","","1.063","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332819","8.4094","0.0006","10.3829","0.0007","11.2069","0.0007","68.402","0.001","82.454","0.002","89.616","0.002","901.02","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Fe N5 O3 S -","- C16 H14 Fe N5 O3 S -","- C32 H28 Fe2 N10 O6 S2 -","2","1","","Tsai, Ming-Li; Liaw, Wen-Feng","Neutral {Fe(NO)2}9Dinitrosyliron Complex (DNIC) [(SC6H4-o-NHCOPh)(Im)Fe(NO)2] (Im = Imidazole): Interconversion among the Anionic/Neutral {Fe(NO)2}9DNICs and Roussin's Red Ester","Inorganic Chemistry","2006","45","17","6583","6585","10.1021/ic0608849","","","0.71073","MoKα","","0.0919","0.0739","","","0.1655","0.1746","","","","","","1.206","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332820","7.711","0.005","8.913","0.005","12.485","0.005","99.21","0.005","93.48","0.005","93.98","0.005","842.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N3 Ni0.5 O4 -","- C19 H18 N3 Ni0.5 O4 -","- C38 H36 N6 Ni O8 -","2","1","","Dobrzyńska, Danuta; Jerzykiewicz, Lucjan B.; Duczmal, Marek; Wojciechowska, Agnieszka; Jabłońska, Katarzyna; Palus, Jerzy; Ożarowski, Andrzej","Structural, Spectroscopic, and Magnetic Study of Bis(9,10-dihydro-9-oxo-10-acridineacetate)bis(imidazole)bis(methanol) Nickel(II)","Inorganic Chemistry","2006","45","26","10479","10486","10.1021/ic060886t","","","0.71073","MoKα","","0.0345","0.0306","","","0.1138","0.1169","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332821","6.2732","0.0008","6.2732","0.0008","14.681","0.002","90","","90","","120","","500.34","0.11","293","2","293","2","","","","","","","","3","R 3 2 :H","R 3 2""","155","Luthetiumcarbodiimide","","","- C3 Lu2 N6 -","- C3 Lu2 N6 -","- C9 Lu6 N18 -","3","0.166667","","Neukirch, Michael; Tragl, Sonja; Meyer, H.-Jürgen","Syntheses and Structural Properties of Rare Earth Carbodiimides","Inorganic Chemistry","2006","45","20","8188","8193","10.1021/ic0608952","","","0.71073","MoKα","","0.0208","0.0199","","","0.0524","0.0526","","","","","","1.2","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332822","41.041","0.002","10.1287","0.0005","40.3822","0.0018","90","","90","","90","","16786.6","1.4","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","none","","","- C100 H70 N2 O16 Zn4 -","- C100 H64 N2 O16 Zn4 -","- C400 H256 N8 O64 Zn16 -","4","1","","Sun, Daofeng; Ke, Yanxiong; Mattox, Tracy M.; Parkin, Sean; Zhou, Hong-Cai","Stability and Porosity Enhancement through Concurrent Ligand Extension and Secondary Building Unit Stabilization","Inorganic Chemistry","2006","45","19","7566","7568","10.1021/ic0609002","","","0.71073","MoKα","","0.12","0.0711","","","0.146","0.1611","","","","","","0.905","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332823","34.6215","0.0009","15.0763","0.0003","42.9953","0.0009","90","","108.373","0.002","90","","21298","0.9","90","2","90","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","none","","","- C180 H112 N0 O28 Zn8 -","- C180 H108 O28 Zn8 -","- C720 H432 O112 Zn32 -","4","0.5","","Sun, Daofeng; Ke, Yanxiong; Mattox, Tracy M.; Parkin, Sean; Zhou, Hong-Cai","Stability and Porosity Enhancement through Concurrent Ligand Extension and Secondary Building Unit Stabilization","Inorganic Chemistry","2006","45","19","7566","7568","10.1021/ic0609002","","","1.54178","CuKα","","0.0755","0.0534","","","0.1366","0.1465","","","","","","1.049","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332824","27.745","0.002","16.1583","0.0012","22.8192","0.0018","90","","90","","90","","10230.1","1.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20 H33 Mo6 N4 Ni1.5 O35 P4 -","- C20 H16 Mo6 N4 Ni1.5 O34 P4 -","- C160 H128 Mo48 N32 Ni12 O272 P32 -","8","1","","Chang, Wen-Jung; Jiang, Yau-Chen; Wang, Sue-Lein; Lii, Kwang-Hwa","Hydrothermal Synthesis of a Three-Dimensional Organic−Inorganic Hybrid Network Formed by Poly(oxomolybdophosphate) Anions and Nickel Coordination Cations","Inorganic Chemistry","2006","45","17","6586","6588","10.1021/ic060911v","","","0.71073","MoKα","","0.0525","0.0414","","","0.1498","0.1568","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332825","6.9238","0.0011","6.9238","0.0011","8.491","0.003","90","","90","","120","","352.52","0.15","120","2","120","2","","","","","","","","2","P -6 2 c","P -6c -2c","190","","","","- Ge5 Sm3 -","- Ge5 Sm3 -","- Ge10 Sm6 -","2","0.166667","","Tobash, Paul H.; Lins, Daniel; Bobev, Svilen; Hur, Namjung; Thompson, Joe D.; Sarrao, John L.","Vacancy Ordering in SmGe2-xand GdGe2-x(x= 0.33): Structure and Properties of Two Sm3Ge5Polymorphs and of Gd3Ge5","Inorganic Chemistry","2006","45","18","7286","7294","10.1021/ic060913f","","","0.71073","MoKα","","0.0215","0.0162","","","0.0366","0.0382","","","","","","1.125","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332826","5.8281","0.0006","17.476","0.0019","13.8749","0.0015","90","","90","","90","","1413.2","0.3","120","2","120","2","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- Ge5 Sm3 -","- Ge5 Sm3 -","- Ge40 Sm24 -","8","0.5","","Tobash, Paul H.; Lins, Daniel; Bobev, Svilen; Hur, Namjung; Thompson, Joe D.; Sarrao, John L.","Vacancy Ordering in SmGe2-xand GdGe2-x(x= 0.33): Structure and Properties of Two Sm3Ge5Polymorphs and of Gd3Ge5","Inorganic Chemistry","2006","45","18","7286","7294","10.1021/ic060913f","","","0.71073","MoKα","","0.0201","0.0198","","","0.0479","0.048","","","","","","1.165","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332827","5.7844","0.0019","17.355","0.006","13.785","0.005","90","","90","","90","","1383.9","0.8","120","2","120","2","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- Gd3 Ge5 -","- Gd3 Ge5 -","- Gd24 Ge40 -","8","0.5","","Tobash, Paul H.; Lins, Daniel; Bobev, Svilen; Hur, Namjung; Thompson, Joe D.; Sarrao, John L.","Vacancy Ordering in SmGe2-xand GdGe2-x(x= 0.33): Structure and Properties of Two Sm3Ge5Polymorphs and of Gd3Ge5","Inorganic Chemistry","2006","45","18","7286","7294","10.1021/ic060913f","","","0.71073","MoKα","","0.02","0.0193","","","0.0465","0.047","","","","","","1.157","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332828","10.563","0.003","11.418","0.003","20.883","0.005","82.733","0.005","76.226","0.004","72.19","0.005","2325.1","1.1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H32 Co F10 N6 O2 P7 -","- C41 H32 Co F10 N6 O2 P7 -","- C82 H64 Co2 F20 N12 O4 P14 -","2","1","","Kumar, Muthiah Senthil; Upreti, Shailesh; Elias, Anil J.","Synthesis and Characterization of Novel Fluorophosphazene-Derived Cobaltacyclopentadienyl Metallacycles: Reagents for Assembly of Aryl-Bridged Fluorophosphazenes","Inorganic Chemistry","2006","45","19","7835","7842","10.1021/ic0609204","","","0.71073","MoKα","","0.1098","0.0848","","","0.1925","0.2177","","","","","","1.182","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332829","11.7729","0.0008","12.2864","0.0009","16.5497","0.0012","84.595","0.001","85.996","0.001","70.965","0.001","2251","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H32 Co F10 N6 O2 P7 -","- C41 H32 Co F10 N6 O2 P7 -","- C82 H64 Co2 F20 N12 O4 P14 -","2","1","","Kumar, Muthiah Senthil; Upreti, Shailesh; Elias, Anil J.","Synthesis and Characterization of Novel Fluorophosphazene-Derived Cobaltacyclopentadienyl Metallacycles: Reagents for Assembly of Aryl-Bridged Fluorophosphazenes","Inorganic Chemistry","2006","45","19","7835","7842","10.1021/ic0609204","","","0.71073","MoKα","","0.0407","0.0352","","","0.0949","0.1052","","","","","","1.103","","","","has coordinates,has disorder","179431","2020-10-21","18:00:00",""
"4332830","7.3106","0.0011","22.024","0.003","19.681","0.003","90","","94.876","0.003","90","","3157.3","0.8","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Co F10 N6 O2 P6 -","- C23 H17 Co F10 N6 O2 P6 -","- C92 H68 Co4 F40 N24 O8 P24 -","4","1","","Kumar, Muthiah Senthil; Upreti, Shailesh; Elias, Anil J.","Synthesis and Characterization of Novel Fluorophosphazene-Derived Cobaltacyclopentadienyl Metallacycles: Reagents for Assembly of Aryl-Bridged Fluorophosphazenes","Inorganic Chemistry","2006","45","19","7835","7842","10.1021/ic0609204","","","0.71073","MoKα","","0.0737","0.048","","","0.0985","0.1325","","","","","","0.948","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332831","13.3524","0.0011","13.7083","0.0011","18.6955","0.0016","90","","90","","90","","3422","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H20 F10 N6 P6 -","- C30 H20 F10 N6 P6 -","- C120 H80 F40 N24 P24 -","4","0.5","","Kumar, Muthiah Senthil; Upreti, Shailesh; Elias, Anil J.","Synthesis and Characterization of Novel Fluorophosphazene-Derived Cobaltacyclopentadienyl Metallacycles: Reagents for Assembly of Aryl-Bridged Fluorophosphazenes","Inorganic Chemistry","2006","45","19","7835","7842","10.1021/ic0609204","","","0.71073","MoKα","","0.0435","0.0395","","","0.1121","0.1157","","","","","","1.006","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332832","24.091","0.001","34.462","0.002","9.065","0.0005","90","","90","","90","","7526","0.7","233.2","","","","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C30 H36 Cu F12 N4 O2 P2 -","- C30 H36 Cu F12 N4 O2 P2 -","- C240 H288 Cu8 F96 N32 O16 P16 -","8","0.25","","Noro, Shin-ichiro; Horike, Satoshi; Tanaka, Daisuke; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Flexible and Shape-Selective Guest Binding at CuIIAxial Sites in 1-Dimensional CuII−1,2-Bis(4-pyridyl)ethane Coordination Polymers","Inorganic Chemistry","2006","45","23","9290","9300","10.1021/ic0609249","","","0.7107","MoKα","","","0.0646","","","","0.0927","","","","","","1.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332833","26.852","0.002","9.4757","0.0005","20.534","0.002","90","","133.273","0.002","90","","3804.1","0.5","298.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 Cu F12 N6 O2 P2 -","- C30 H38 Cu F12 N6 O2 P2 -","- C120 H152 Cu4 F48 N24 O8 P8 -","4","0.5","","Noro, Shin-ichiro; Horike, Satoshi; Tanaka, Daisuke; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Flexible and Shape-Selective Guest Binding at CuIIAxial Sites in 1-Dimensional CuII−1,2-Bis(4-pyridyl)ethane Coordination Polymers","Inorganic Chemistry","2006","45","23","9290","9300","10.1021/ic0609249","","","0.7107","MoKα","","","0.0871","","","","0.1783","","","","","","1.271","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332834","20.089","0.007","41.009","0.012","9.399","0.003","90","","90","","90","","7743","4","103.1","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H36 Cu F12 N8 P2 -","- C32 H36 Cu F12 N8 P2 -","- C256 H288 Cu8 F96 N64 P16 -","8","0.5","","Noro, Shin-ichiro; Horike, Satoshi; Tanaka, Daisuke; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Flexible and Shape-Selective Guest Binding at CuIIAxial Sites in 1-Dimensional CuII−1,2-Bis(4-pyridyl)ethane Coordination Polymers","Inorganic Chemistry","2006","45","23","9290","9300","10.1021/ic0609249","","","0.71075","MoKα","","","0.029","","","","0.0546","","","","","","0.861","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332835","28.5558","0.0015","9.5987","0.0007","16.906","0.0009","90","","107.974","0.003","90","","4407.8","0.5","103.1","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H56 Cu F12 N4 O7 P2 -","- C36 H48 Cu F12 N4 O7 P2 -","- C144 H192 Cu4 F48 N16 O28 P8 -","4","1","","Noro, Shin-ichiro; Horike, Satoshi; Tanaka, Daisuke; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Flexible and Shape-Selective Guest Binding at CuIIAxial Sites in 1-Dimensional CuII−1,2-Bis(4-pyridyl)ethane Coordination Polymers","Inorganic Chemistry","2006","45","23","9290","9300","10.1021/ic0609249","","","0.71069","MoKα","","","0.1137","","","","0.2281","","","","","","0.932","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332836","11.2924","0.0005","9.1456","0.0002","22.5267","0.0008","90","","103.691","0.0008","90","","2260.36","0.14","103","","","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C36 H52 Cu F12 N4 O8 P2 -","- C36 H48 Cu F12 N4 O8 P2 -","- C72 H96 Cu2 F24 N8 O16 P4 -","2","0.5","","Noro, Shin-ichiro; Horike, Satoshi; Tanaka, Daisuke; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Flexible and Shape-Selective Guest Binding at CuIIAxial Sites in 1-Dimensional CuII−1,2-Bis(4-pyridyl)ethane Coordination Polymers","Inorganic Chemistry","2006","45","23","9290","9300","10.1021/ic0609249","","","0.7107","MoKα","","","0.0583","","","","0.1828","","","","","","2.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332837","9.3168","0.0016","23.612","0.005","16.71","0.005","90","","90","","90","","3676","1.5","103.1","","","","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C27 H39 Cu F12 N4 O5 P2 -","- C27 H31 Cu F12 N4 O5 P2 -","- C108 H124 Cu4 F48 N16 O20 P8 -","4","0.5","","Noro, Shin-ichiro; Horike, Satoshi; Tanaka, Daisuke; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Flexible and Shape-Selective Guest Binding at CuIIAxial Sites in 1-Dimensional CuII−1,2-Bis(4-pyridyl)ethane Coordination Polymers","Inorganic Chemistry","2006","45","23","9290","9300","10.1021/ic0609249","","","0.71075","MoKα","","","0.0628","","","","0.1335","","","","","","0.751","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332838","16.7311","0.0007","22.2577","0.0013","29.757","0.002","74.753","0.006","81.211","0.004","77.509","0.004","10384","1.1","","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C214 H238 Cl8 Mn2 N16 -","- C214 H238 Cl8 Mn2 N16 -","- C428 H476 Cl16 Mn4 N32 -","2","1","","Lansky, David E.; Kosack, Joseph R.; Narducci Sarjeant, Amy A.; Goldberg, David P.","An Isolable, Nonreducible High-Valent Manganese(V) Imido Corrolazine Complex","Inorganic Chemistry","2006","45","21","8477","8479","10.1021/ic0609251","","","0.71073","MoKα","","0.1381","0.0767","","","0.2017","0.2245","","","","","","1.011","","","","has coordinates,has disorder","179431","2020-10-21","18:00:00",""
"4332839","15.249","0.003","20.201","0.004","13.488","0.002","90","","99.509","0.003","90","","4097.8","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 B2 Cu Fe2 N20 O2 -","- C30 H34 B2 Cu Fe2 N20 O2 -","- C120 H136 B8 Cu4 Fe8 N80 O8 -","4","1","","Wen, He-Rui; Wang, Cai-Feng; Song, You; Gao, Song; Zuo, Jing-Lin; You, Xiao-Zeng","Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged Heterobimetallic Chains Based on [(Tp)Fe(CN)3]-","Inorganic Chemistry","2006","45","22","8942","8949","10.1021/ic060928d","","","0.71073","MoKα","","0.0824","0.0546","","","0.1113","0.1169","","","","","","1.036","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332840","27.6489","0.0009","11.5053","0.0004","13.1287","0.0005","90","","102.525","0.002","90","","4077","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 B2 Co Fe2 N18 O4 -","- C28 H36 B2 Co Fe2 N18 O4 -","- C112 H144 B8 Co4 Fe8 N72 O16 -","4","0.5","","Wen, He-Rui; Wang, Cai-Feng; Song, You; Gao, Song; Zuo, Jing-Lin; You, Xiao-Zeng","Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged Heterobimetallic Chains Based on [(Tp)Fe(CN)3]-","Inorganic Chemistry","2006","45","22","8942","8949","10.1021/ic060928d","","","0.71073","MoKα","","0.0485","0.031","","","0.0844","0.089","","","","","","1.083","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332841","27.427","0.003","11.3692","0.0011","13.0941","0.0014","90","","102.767","0.004","90","","3982.1","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 B2 Fe2 N18 Ni O4 -","- C28 H36 B2 Fe2 N18 Ni O4 -","- C112 H144 B8 Fe8 N72 Ni4 O16 -","4","0.5","","Wen, He-Rui; Wang, Cai-Feng; Song, You; Gao, Song; Zuo, Jing-Lin; You, Xiao-Zeng","Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged Heterobimetallic Chains Based on [(Tp)Fe(CN)3]-","Inorganic Chemistry","2006","45","22","8942","8949","10.1021/ic060928d","","","0.71073","MoKα","","0.0591","0.0452","","","0.1122","0.116","","","","","","1.003","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332842","10.3484","0.0007","18.8039","0.0014","8.8238","0.0006","90","","117.063","0.007","90","","1529","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As2 Gd K3 S8 -","- As2 Gd K3 S8 -","- As8 Gd4 K12 S32 -","4","0.5","","Wu, Yuandong; Näther, Christian; Bensch, Wolfgang","K3Ln(AsS4)2(Ln = Nd, Sm, Gd): the First Rare Earth Thioarsenate Compounds with Infinite Straight Chains","Inorganic Chemistry","2006","45","22","8835","8837","10.1021/ic060933h","","","0.71073","MoKα","","0.045","0.0351","","","0.079","0.0823","","","","","","0.974","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332843","10.3736","0.0008","18.8768","0.0013","8.8393","0.0007","90","","116.878","0.008","90","","1543.9","0.2","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As2 K3 Nd S8 -","- As2 K3 Nd S8 -","- As8 K12 Nd4 S32 -","4","0.5","","Wu, Yuandong; Näther, Christian; Bensch, Wolfgang","K3Ln(AsS4)2(Ln = Nd, Sm, Gd): the First Rare Earth Thioarsenate Compounds with Infinite Straight Chains","Inorganic Chemistry","2006","45","22","8835","8837","10.1021/ic060933h","","","0.71073","MoKα","","0.0374","0.0281","","","0.0655","0.0682","","","","","","1","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332844","10.3741","0.0009","18.8228","0.0014","8.8484","0.0007","90","","117.013","0.009","90","","1539.3","0.2","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As2 K3 S8 Sm -","- As2 K3 S8 Sm -","- As8 K12 S32 Sm4 -","4","0.5","","Wu, Yuandong; Näther, Christian; Bensch, Wolfgang","K3Ln(AsS4)2(Ln = Nd, Sm, Gd): the First Rare Earth Thioarsenate Compounds with Infinite Straight Chains","Inorganic Chemistry","2006","45","22","8835","8837","10.1021/ic060933h","","","0.71073","MoKα","","0.0313","0.0266","","","0.0643","0.0657","","","","","","0.99","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332845","10.0929","0.0011","19.017","0.002","22.489","0.002","90","","90","","90","","4316.5","0.8","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H46 Cl3 N O5 P2 Pd -","- C43 H46 Cl3 N O5 P2 Pd -","- C172 H184 Cl12 N4 O20 P8 Pd4 -","4","1","","Pullarkat, Sumod A.; Yi, Ding; Li, Yongxin; Tan, Geok-Kheng; Leung, Pak-Hing","A Novel Approach toward Asymmetric Synthesis of Alcohol Functionalized C-Chiral Diphosphines via Two-Stage Hydrophosphination of Terminal Alkynols","Inorganic Chemistry","2006","45","18","7455","7463","10.1021/ic060937m","","","0.71073","MoKα","","0.0537","0.0487","","","0.1235","0.1269","","","","","","1.077","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332846","9.7268","0.0004","10.9351","0.0005","19.9748","0.0009","105.555","0.001","92.795","0.001","98.128","0.001","2017.83","0.15","295","2","295","2","","","","","","","","7","P 1","P 1","1","","","","- C41.5 H43 Cl2 N O5 P2 Pd -","- C41.5 H43 Cl2 N O5 P2 Pd -","- C83 H86 Cl4 N2 O10 P4 Pd2 -","2","2","","Pullarkat, Sumod A.; Yi, Ding; Li, Yongxin; Tan, Geok-Kheng; Leung, Pak-Hing","A Novel Approach toward Asymmetric Synthesis of Alcohol Functionalized C-Chiral Diphosphines via Two-Stage Hydrophosphination of Terminal Alkynols","Inorganic Chemistry","2006","45","18","7455","7463","10.1021/ic060937m","","","0.71073","MoKα","","0.0764","0.0569","","","0.1238","0.134","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332847","19.514","0.005","8.547","0.002","17.987","0.004","90","","107.224","0.005","90","","2865.4","1.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl4 O P2 Pd -","- C28 H28 Cl4 O P2 Pd -","- C112 H112 Cl16 O4 P8 Pd4 -","4","1","","Pullarkat, Sumod A.; Yi, Ding; Li, Yongxin; Tan, Geok-Kheng; Leung, Pak-Hing","A Novel Approach toward Asymmetric Synthesis of Alcohol Functionalized C-Chiral Diphosphines via Two-Stage Hydrophosphination of Terminal Alkynols","Inorganic Chemistry","2006","45","18","7455","7463","10.1021/ic060937m","","","0.71073","MoKα","","0.0968","0.0698","","","0.1387","0.1492","","","","","","1.111","","","","has coordinates,has disorder","179431","2020-10-21","18:00:00",""
"4332848","21.414","0.003","21.414","0.003","30.512","0.007","90","","90","","120","","12117","4","130","2","130","2","","","","","","","","5","P 31","P 31","144","","","","- C94 H217 Co18 N12 O77.5 -","- C94 H171 Co18 N12 O77.5 -","- C282 H513 Co54 N36 O232.5 -","3","1","","Alley, Kerwyn G.; Bircher, Roland; Waldmann, Oliver; Ochsenbein, Stefan T.; Güdel, Hans U.; Moubaraki, Boujemaa; Murray, Keith S.; Fernandez-Alonso, Felix; Abrahams, Brendan F.; Boskovic, Colette","Mixed-Valent Cobalt Spin Clusters: a Hexanuclear Complex and a One-Dimensional Coordination Polymer Comprised of Alternating Hepta- and Mononuclear Fragments","Inorganic Chemistry","2006","45","22","8950","8957","10.1021/ic060938e","","","0.71073","MoKα","","0.1473","0.0846","","","0.2004","0.2337","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332849","11.5243","0.0014","37.727","0.005","15.682","0.002","90","","105.489","0.003","90","","6570.6","1.5","150","1","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H89.5 Co8 N8 O30.25 -","- C42 H89.12 Co8 N8 O30.25 -","- C168 H356.48 Co32 N32 O121 -","4","0.5","","Alley, Kerwyn G.; Bircher, Roland; Waldmann, Oliver; Ochsenbein, Stefan T.; Güdel, Hans U.; Moubaraki, Boujemaa; Murray, Keith S.; Fernandez-Alonso, Felix; Abrahams, Brendan F.; Boskovic, Colette","Mixed-Valent Cobalt Spin Clusters: a Hexanuclear Complex and a One-Dimensional Coordination Polymer Comprised of Alternating Hepta- and Mononuclear Fragments","Inorganic Chemistry","2006","45","22","8950","8957","10.1021/ic060938e","","","0.71073","MoKα","","0.0821","0.0552","","","0.1321","0.149","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332850","25.285","0.002","13.8608","0.0013","17.14","0.0016","90","","98.361","0.002","90","","5943.2","0.9","95","2","95","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diisopropyltriazole-gold-trimer","","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Yang, Chi; Messerschmidt, Marc; Coppens, Philip; Omary, Mohammad A.","Trinuclear Gold(I) Triazolates: A New Class of Wide-Band Phosphors and Sensors","Inorganic Chemistry","2006","45","17","6592","6594","10.1021/ic060943i","","x-ray","0.71073","MoKα","","0.0342","0.0253","","","0.083","0.0944","","","","","","0.759","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332851","25.037","0.008","14.046","0.005","18.057","0.006","90","","97.191","0.014","90","","6300","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diisopropyltriazole-gold-trimer","","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Yang, Chi; Messerschmidt, Marc; Coppens, Philip; Omary, Mohammad A.","Trinuclear Gold(I) Triazolates: A New Class of Wide-Band Phosphors and Sensors","Inorganic Chemistry","2006","45","17","6592","6594","10.1021/ic060943i","","x-ray","0.71073","MoKα","","0.1144","0.0738","","","0.1937","0.2163","","","","","","1.044","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332852","11.3952","0.0019","11.3952","0.0019","43.722","0.007","90","","90","","120","","4916.7","1.4","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","CsFm","","- Cs H5 O39 U12 -","- Cs O39 U12 -","- Cs6 O234 U72 -","6","0.166667","","Kubatko, Karrie-Ann; Burns, Peter C.","Cation−Cation Interactions in Sr5(UO2)20(UO6)2O16(OH)6(H2O)6and Cs(UO2)9U3O16(OH)5","Inorganic Chemistry","2006","45","25","10277","10281","10.1021/ic0609453","","","0.71073","MoKα","","0.0476","0.0308","","","0.0433","0.0457","","","","","","0.871","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332853","11.6677","0.0014","21.065","0.003","14.3725","0.0017","90","","90","","90","","3532.5","0.8","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","SrFm","","- H18 O80 Sr5 U22 -","- O80 Sr4.88 U22 -","- O160 Sr9.76 U44 -","2","0.25","","Kubatko, Karrie-Ann; Burns, Peter C.","Cation−Cation Interactions in Sr5(UO2)20(UO6)2O16(OH)6(H2O)6and Cs(UO2)9U3O16(OH)5","Inorganic Chemistry","2006","45","25","10277","10281","10.1021/ic0609453","","","0.71073","MoKα","","0.0503","0.043","","","0.1024","0.112","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332854","7.043","0.004","7.379","0.004","7.59","0.005","101.979","0.008","103.659","0.008","105.132","0.007","354.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- B Ge3 H4 N O8 -","- B Ge3 H4 N O8 -","- B2 Ge6 H8 N2 O16 -","2","1","","Xiong, Ding-Bang; Chen, Hao-Hong; Li, Man-Rong; Yang, Xin-Xin; Zhao, Jing-Tai","NH4[BGe3O8]: A New Borogermanate Framework Made of Infinite-Chain Building Blocks","Inorganic Chemistry","2006","45","23","9301","9305","10.1021/ic060967p","","","0.71073","MoKα","","0.0383","0.0329","","","0.0793","0.081","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332855","8.5857","0.0005","14.4378","0.001","17.188","0.0011","91.504","0.004","101.982","0.004","91.014","0.004","2082.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 Cu2 N11 O12 -","- C40 H29 Cu2 N11 O12 -","- C80 H58 Cu4 N22 O24 -","2","1","","Padhi, Sumanta Kumar; Manivannan, Vadivelu","Cu(NO3)2·3H2O-Mediated Synthesis of 4‘-(2-Pyridyl)-2,2‘:6‘,2‘ ‘-terpyridine (L2) fromN-(2-Pyridylmethyl)pyridine-2-methylketimine (L1). A C−C Bond-Forming Reaction and the Structure of {[Cu(L2)(OH)(NO3)][Cu(L2)(NO3)2]}·2H2O†","Inorganic Chemistry","2006","45","20","7994","7996","10.1021/ic060968h","","","0.71073","MoKα","","0.0904","0.061","","","0.194","0.2119","","","","","","1.105","","","","has coordinates,has disorder","179431","2020-10-21","18:00:00",""
"4332856","7.3994","0.0002","8.6119","0.0003","13.0072","0.0004","74.598","0.002","84.827","0.002","80.993","0.002","788.21","0.04","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H15 Cu N3 O6 -","- C14 H15 Cu N3 O6 -","- C28 H30 Cu2 N6 O12 -","2","2","","Padhi, Sumanta Kumar; Manivannan, Vadivelu","Cu(NO3)2·3H2O-Mediated Synthesis of 4‘-(2-Pyridyl)-2,2‘:6‘,2‘ ‘-terpyridine (L2) fromN-(2-Pyridylmethyl)pyridine-2-methylketimine (L1). A C−C Bond-Forming Reaction and the Structure of {[Cu(L2)(OH)(NO3)][Cu(L2)(NO3)2]}·2H2O†","Inorganic Chemistry","2006","45","20","7994","7996","10.1021/ic060968h","","","0.71073","MoKα","","0.0298","0.0274","","","0.0746","0.0768","","","","","","1.035","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332857","13.0488","0.0006","21.5696","0.001","22.1531","0.0009","90","","108.581","0.003","90","","5910.1","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cu(dmp)2-CECR-2H2O-Benzene","","","- C67 H70 Cu N4 O10 -","- C67 H70 Cu N4 O10 -","- C268 H280 Cu4 N16 O40 -","4","1","","Zheng, Shao-Liang; Gembicky, Milan; Messerschmidt, Marc; Dominiak, Paulina M.; Coppens, Philip","Effect of the Environment on Molecular Properties: Synthesis, Structure, and Photoluminescence of Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Nanoclusters in Eight Different Supramolecular Frameworks","Inorganic Chemistry","2006","45","23","9281","9289","10.1021/ic0609709","","","0.71073","MoKα","","0.0772","0.0579","","","0.1615","0.1764","","","","","","1.033","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332858","12.8656","0.0007","14.4896","0.0008","15.224","0.0008","89.0384","0.0019","83.6729","0.0018","85.5864","0.0018","2812.3","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Cu(dmp)2-CMCR-2H2O-Benzene","","","- C66 H65 Cu N4 O10 -","- C66 H65 Cu N4 O10 -","- C132 H130 Cu2 N8 O20 -","2","1","","Zheng, Shao-Liang; Gembicky, Milan; Messerschmidt, Marc; Dominiak, Paulina M.; Coppens, Philip","Effect of the Environment on Molecular Properties: Synthesis, Structure, and Photoluminescence of Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Nanoclusters in Eight Different Supramolecular Frameworks","Inorganic Chemistry","2006","45","23","9281","9289","10.1021/ic0609709","","","0.71073","MoKα","","0.0687","0.0624","","","0.1607","0.1636","","","","","","1.125","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332859","37.34","0.0011","10.6211","0.0003","25.5526","0.0008","90","","129.339","0.0006","90","","7837.7","0.4","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cu(dmp)2-THPM","","","- C47 H39 Cu N4 O3 -","- C47 H39 Cu N4 O3 -","- C376 H312 Cu8 N32 O24 -","8","1","","Zheng, Shao-Liang; Gembicky, Milan; Messerschmidt, Marc; Dominiak, Paulina M.; Coppens, Philip","Effect of the Environment on Molecular Properties: Synthesis, Structure, and Photoluminescence of Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Nanoclusters in Eight Different Supramolecular Frameworks","Inorganic Chemistry","2006","45","23","9281","9289","10.1021/ic0609709","","","0.71073","MoKα","","0.0465","0.0368","","","0.1006","0.1066","","","","","","1.031","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332860","14.89","0.002","17.595","0.002","20.016","0.002","90","","131.779","0.006","90","","3910.5","0.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cu(dmp)2-THPE","","","- C48 H41 Cu N4 O3 -","- C48 H41 Cu N4 O3 -","- C192 H164 Cu4 N16 O12 -","4","1","","Zheng, Shao-Liang; Gembicky, Milan; Messerschmidt, Marc; Dominiak, Paulina M.; Coppens, Philip","Effect of the Environment on Molecular Properties: Synthesis, Structure, and Photoluminescence of Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Nanoclusters in Eight Different Supramolecular Frameworks","Inorganic Chemistry","2006","45","23","9281","9289","10.1021/ic0609709","","","0.71073","MoKα","","0.0407","0.0363","","","0.1048","0.1091","","","","","","1.028","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332861","9.8265","0.0004","33.1326","0.0014","14.1804","0.0006","90","","103.592","0.0012","90","","4487.5","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cu(dmp)2-THIB","","","- C57 H51 Cu N4 O3 -","- C57 H51 Cu N4 O3 -","- C228 H204 Cu4 N16 O12 -","4","1","","Zheng, Shao-Liang; Gembicky, Milan; Messerschmidt, Marc; Dominiak, Paulina M.; Coppens, Philip","Effect of the Environment on Molecular Properties: Synthesis, Structure, and Photoluminescence of Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Nanoclusters in Eight Different Supramolecular Frameworks","Inorganic Chemistry","2006","45","23","9281","9289","10.1021/ic0609709","","","0.71073","MoKα","","0.0704","0.0538","","","0.1306","0.1389","","","","","","1.089","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332862","11.9183","0.0003","20.7788","0.0006","23.9213","0.0006","90","","111.663","0.001","90","","5505.7","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cu(dmp)2-2THPE-H2O","","","- C68 H61 Cu N4 O7 -","- C68 H61 Cu N4 O7 -","- C272 H244 Cu4 N16 O28 -","4","1","","Zheng, Shao-Liang; Gembicky, Milan; Messerschmidt, Marc; Dominiak, Paulina M.; Coppens, Philip","Effect of the Environment on Molecular Properties: Synthesis, Structure, and Photoluminescence of Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Nanoclusters in Eight Different Supramolecular Frameworks","Inorganic Chemistry","2006","45","23","9281","9289","10.1021/ic0609709","","","0.71073","MoKα","","0.0488","0.044","","","0.1225","0.1265","","","","","","1.037","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332863","11.0591","0.0003","18.8423","0.0004","23.5244","0.0005","90","","113.631","0.001","90","","4490.94","0.18","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cu(dmp)2-THBE","","","- C56 H45 Cu N4 O4 -","- C56 H45 Cu N4 O4 -","- C224 H180 Cu4 N16 O16 -","4","1","","Zheng, Shao-Liang; Gembicky, Milan; Messerschmidt, Marc; Dominiak, Paulina M.; Coppens, Philip","Effect of the Environment on Molecular Properties: Synthesis, Structure, and Photoluminescence of Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Nanoclusters in Eight Different Supramolecular Frameworks","Inorganic Chemistry","2006","45","23","9281","9289","10.1021/ic0609709","","","0.71073","MoKα","","0.0768","0.0487","","","0.1234","0.1404","","","","","","1.024","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332864","17.8934","0.0008","18.5392","0.0008","12.4552","0.0006","90","","120.122","0.001","90","","3573.8","0.3","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","Cu(dmp)2-CTHA-EtOH","","","- C39 H41 Cu N4 O7 -","- C39 H41 Cu N4 O7 -","- C156 H164 Cu4 N16 O28 -","4","1","","Zheng, Shao-Liang; Gembicky, Milan; Messerschmidt, Marc; Dominiak, Paulina M.; Coppens, Philip","Effect of the Environment on Molecular Properties: Synthesis, Structure, and Photoluminescence of Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Nanoclusters in Eight Different Supramolecular Frameworks","Inorganic Chemistry","2006","45","23","9281","9289","10.1021/ic0609709","","","0.71073","MoKα","","0.0654","0.0635","","","0.1604","0.1623","","","","","","1.042","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332865","12.8907","0.0015","29.65","0.004","10.7008","0.0013","90","","90","","90","","4089.9","0.9","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C6 H18 Cu4 I4 S3 -","- C6 H18 Cu4 I4 S3 -","- C48 H144 Cu32 I32 S24 -","8","","","Zhou, Jian; Bian, Guo-Qing; Dai, Jie; Zhang, Yong; Zhu, Qin-Yu; Lu, Wen","Luminescent 2-D Double-layered Polymer, [(CuI)4(CH3SCH3)3]∞, Containing Helical Chains Constructed by Flower-Basket-Shaped Cu4I4Clusters","Inorganic Chemistry","2006","45","21","8486","8488","10.1021/ic060972t","","","0.7107","MoKα","","0.0242","0.024","","","0.0622","0.0623","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332866","14.4181","0.0013","26.731","0.003","12.6362","0.0012","90","","90","","90","","4870.1","0.8","193","2","193","2","","","","","","","","7","C c c 2","C 2 -2c","37","","","","- C34 H30 Cu4 I2 N8 S7 W -","- C34 H30 Cu4 I2 N8 S7 W -","- C136 H120 Cu16 I8 N32 S28 W4 -","4","0.5","","Lang, Jian-Ping; Xu, Qing-Feng; Zhang, Wen-Hua; Li, Hong-Xi; Ren, Zhi-Gang; Chen, Jin-Xiang; Zhang, Yong","Mo(W)/Cu/S Cluster-Based Supramolecular Arrays Assembled from Preformed Clusters [Et4N]4[WS4Cu4I6] and [(n-Bu)4N]2[MoOS3Cu3X3] (X = I, SCN) with Flexible Ditopic Ligands","Inorganic Chemistry","2006","45","26","10487","10496","10.1021/ic060974d","","","0.7107","MoKα","","0.0633","0.0529","","","0.1311","0.1382","","","","","","1.117","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332867","16.396","0.002","17.135","0.002","18.341","0.003","90","","90","","90","","5152.8","1.2","193","2","193","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C32 H30 Cu4 N12 O S8 W -","- C32 H30 Cu4 N12 O S8 W -","- C128 H120 Cu16 N48 O4 S32 W4 -","4","0.5","","Lang, Jian-Ping; Xu, Qing-Feng; Zhang, Wen-Hua; Li, Hong-Xi; Ren, Zhi-Gang; Chen, Jin-Xiang; Zhang, Yong","Mo(W)/Cu/S Cluster-Based Supramolecular Arrays Assembled from Preformed Clusters [Et4N]4[WS4Cu4I6] and [(n-Bu)4N]2[MoOS3Cu3X3] (X = I, SCN) with Flexible Ditopic Ligands","Inorganic Chemistry","2006","45","26","10487","10496","10.1021/ic060974d","","","0.7107","MoKα","","0.0852","0.0811","","","0.1911","0.1935","","","","","","1.192","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332868","10.492","0.002","20.017","0.004","19.537","0.004","90","","90.97","0.03","90","","4102.5","1.4","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H22.5 Cu3 I Mo N5.5 O1.5 S7 -","- C23.5 H22.5 Cu3 I Mo N5.5 O1.5 S7 -","- C94 H90 Cu12 I4 Mo4 N22 O6 S28 -","4","1","","Lang, Jian-Ping; Xu, Qing-Feng; Zhang, Wen-Hua; Li, Hong-Xi; Ren, Zhi-Gang; Chen, Jin-Xiang; Zhang, Yong","Mo(W)/Cu/S Cluster-Based Supramolecular Arrays Assembled from Preformed Clusters [Et4N]4[WS4Cu4I6] and [(n-Bu)4N]2[MoOS3Cu3X3] (X = I, SCN) with Flexible Ditopic Ligands","Inorganic Chemistry","2006","45","26","10487","10496","10.1021/ic060974d","","","0.71073","MoKα","","0.093","0.0887","","","0.198","0.2003","","","","","","1.305","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332869","9.2794","0.0019","11.063","0.002","15.852","0.003","95.68","0.03","94.28","0.03","114.64","0.03","1459.8","0.6","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Cu3 Mo N8 O2 S3 -","- C22 H22 Cu3 Mo N8 O2 S3 -","- C44 H44 Cu6 Mo2 N16 O4 S6 -","2","1","","Lang, Jian-Ping; Xu, Qing-Feng; Zhang, Wen-Hua; Li, Hong-Xi; Ren, Zhi-Gang; Chen, Jin-Xiang; Zhang, Yong","Mo(W)/Cu/S Cluster-Based Supramolecular Arrays Assembled from Preformed Clusters [Et4N]4[WS4Cu4I6] and [(n-Bu)4N]2[MoOS3Cu3X3] (X = I, SCN) with Flexible Ditopic Ligands","Inorganic Chemistry","2006","45","26","10487","10496","10.1021/ic060974d","","","0.71073","MoKα","","0.0961","0.0718","","","0.1315","0.1404","","","","","","1.159","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332870","8.631","0.0004","11.0609","0.0006","12.1112","0.0006","88.31","0.001","89.685","0.001","74.604","0.001","1114.24","0.1","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C8 H19.5 Cl4 N O8 Pu -","- C8 H19.5 Cl4 N O8 Pu -","- C16 H39 Cl8 N2 O16 Pu2 -","2","2","","Wilson, Richard E.; Almond, Philip M.; Burns, Peter C.; Soderholm, L.","The Structure and Synthesis of Plutonium(III) Chlorides from Aqueous Solution","Inorganic Chemistry","2006","45","21","8483","8485","10.1021/ic060979a","","","0.71073","MoKα","","0.0619","0.0407","","","0.071","0.0763","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332871","9.1584","0.0007","9.8828","0.0008","14.2428","0.0012","90","","104.519","0.001","90","","1247.96","0.17","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cl8 Cs5 O6 Pu -","- Cl8 Cs5 O6 Pu -","- Cl16 Cs10 O12 Pu2 -","2","1","","Wilson, Richard E.; Almond, Philip M.; Burns, Peter C.; Soderholm, L.","The Structure and Synthesis of Plutonium(III) Chlorides from Aqueous Solution","Inorganic Chemistry","2006","45","21","8483","8485","10.1021/ic060979a","","","0.71073","MoKα","","0.0217","0.0211","","","0.0542","0.0543","","","","","","1.046","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332872","7.0909","0.0005","11.2334","0.0008","6.7846","0.0005","90","","90","","90","","540.43","0.07","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Cl4 Cs O4 Pu -","- Cl4 Cs O4 Pu -","- Cl8 Cs2 O8 Pu2 -","2","0.5","","Wilson, Richard E.; Almond, Philip M.; Burns, Peter C.; Soderholm, L.","The Structure and Synthesis of Plutonium(III) Chlorides from Aqueous Solution","Inorganic Chemistry","2006","45","21","8483","8485","10.1021/ic060979a","","","0.71073","MoKα","","0.025","0.0208","","","0.043","0.0444","","","","","","1.062","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332873","6.353","0.002","13.136","0.005","21.035","0.008","92.067","0.004","95.692","0.006","101.207","0.007","1710.7","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Copperpivalate","","","- C25 H45 Cu5 O10 -","- C25 H45 Cu5 O10 -","- C50 H90 Cu10 O20 -","2","1","","Sugiura, Tetsuya; Yoshikawa, Hirofumi; Awaga, Kunio","1D Helical Polymeric Chain with a Pseudo-53Screw Axis Formed by Cuprophilicity. Synthesis and Crystal Structure of Copper(I) Pivalate","Inorganic Chemistry","2006","45","19","7584","7586","10.1021/ic060989b","","","0.7107","MoKα","","0.1133","0.0885","","","0.2188","0.2323","","","","","","1.13","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332874","14.726","0.007","18.861","0.009","27.498","0.012","104.262","0.004","95.862","0.004","110.846","0.007","6764","5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C93.3 H192.3 Cu16 O43.15 -","- C93.3 H192.3 Cu16 O43.15 -","- C186.6 H384.6 Cu32 O86.3 -","2","1","","Sugiura, Tetsuya; Yoshikawa, Hirofumi; Awaga, Kunio","1D Helical Polymeric Chain with a Pseudo-53Screw Axis Formed by Cuprophilicity. Synthesis and Crystal Structure of Copper(I) Pivalate","Inorganic Chemistry","2006","45","19","7584","7586","10.1021/ic060989b","","","0.7107","MoKα","","0.1016","0.0723","","","0.1759","0.1971","","","","","","1.052","","","","has coordinates,has disorder","179431","2020-10-21","18:00:00",""
"4332875","5.6958","0.0004","5.6958","0.0004","28.909","0.004","90","","90","","120","","812.22","0.14","296","2","296","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ba2 Co9 O14 -","- Ba2 Co9 O14 -","- Ba6 Co27 O42 -","3","0.0833333","","Sun, Junliang; Yang, Min; Li, Guobao; Yang, Tao; Liao, Fuhui; Wang, Yingxia; Xiong, Ming; Lin, Jianhua","New Barium Cobaltite Series Ban+1ConO3n+3(Co8O8): Intergrowth Structure Containing Perovskite and CdI2-Type Layers","Inorganic Chemistry","2006","45","23","9151","9153","10.1021/ic060992v","","","0.71073","MoKα","","0.0266","0.0258","","","0.0565","0.0568","","","","","","1.005","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332876","5.6901","0.0004","5.6901","0.0004","35.937","0.005","90","","90","","120","","1007.66","0.17","296","2","296","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ba3 Co10 O17 -","- Ba3 Co10 O17 -","- Ba9 Co30 O51 -","3","0.0833333","","Sun, Junliang; Yang, Min; Li, Guobao; Yang, Tao; Liao, Fuhui; Wang, Yingxia; Xiong, Ming; Lin, Jianhua","New Barium Cobaltite Series Ban+1ConO3n+3(Co8O8): Intergrowth Structure Containing Perovskite and CdI2-Type Layers","Inorganic Chemistry","2006","45","23","9151","9153","10.1021/ic060992v","","","0.71073","MoKα","","0.0449","0.0421","","","0.1103","0.1127","","","","","","1.006","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332877","11.2523","0.0005","11.2529","0.0005","15.8614","0.0008","90","","90","","90","","2008.39","0.16","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N3 O4 P Ru -","- C18 H26 N3 O4 P Ru -","- C72 H104 N12 O16 P4 Ru4 -","4","1","","Ang, Wee Han; Daldini, Elisa; Scolaro, Claudine; Scopelliti, Rosario; Juillerat-Jeannerat, Lucienne; Dyson, Paul J.","Development of Organometallic Ruthenium−Arene Anticancer Drugs That Resist Hydrolysis","Inorganic Chemistry","2006","45","22","9006","9013","10.1021/ic061008y","","","0.71073","MoKα","","0.0217","0.0195","","","0.0422","0.0427","","","","","","0.997","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332878","44.007","0.009","18.945","0.004","7.2446","0.0014","90","","90","","90","","6040","2","183","2","183","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H6 Ca N2 O8 -","- C14 H6 Ca N2 O7.5 -","- C224 H96 Ca16 N32 O120 -","16","1","","Melton, Darren L.; VanDerveer, Donald G.; Hancock, Robert D.","Complexes of Greatly Enhanced Thermodynamic Stability and Metal Ion Size-Based Selectivity, Formed by the Highly Preorganized Non-Macrocyclic Ligand 1,10-Phenanthroline-2,9-dicarboxylic Acid. A Thermodynamic and Crystallographic Study","Inorganic Chemistry","2006","45","23","9306","9314","10.1021/ic061010p","","","0.71073","MoKα","","0.1367","0.0882","","","0.1937","0.2193","","","","","","0.999","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332879","14.066","0.003","20.883","0.004","19.245","0.004","90","","109.67","0.03","90","","5323","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe(OEP)(2-MeHIm)2","","","- C47 H59 Cl10 Fe N8 -","- C47 H59 Cl10 Fe N8 -","- C188 H236 Cl40 Fe4 N32 -","4","1","","Hu, Chuanjiang; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert","Low-Spin Bis(2-methylimidazole)(octaethylporphyrinato)iron(III) Chloride (perp-[Fe(OEP)(2-MeHIm)2]Cl): A Consequence of Hydrogen Bonding?","Inorganic Chemistry","2006","45","24","9721","9728","10.1021/ic061014u","","","0.71073","MoKα","","0.0461","0.0341","","","0.0916","0.0962","","","","","","1.023","","","","has coordinates,has disorder","179431","2020-10-21","18:00:00",""
"4332880","22.053","0.005","5.8438","0.0013","11.765","0.003","90","","101.724","0.004","90","","1484.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 Cu N2 Si -","- C12 H23 Cu N2 Si -","- C48 H92 Cu4 N8 Si4 -","4","1","","Park, Kyung-Ho; Bradley, Alexander Z.; Thompson, Jeffery S.; Marshall, Will J.","Nonfluorinated Volatile Copper(I) 1,3-Diketiminates as Precursors for Cu Metal Deposition via Atomic Layer Deposition","Inorganic Chemistry","2006","45","21","8480","8482","10.1021/ic061016e","","","0.71073","MoKα","","0.0491","0.0336","","","0.082","0.0905","","","","","","1.029","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332881","5.6113","0.0005","12.6077","0.0012","19.3108","0.0017","90","","90","","90","","1366.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 Cu N2 -","- C13 H23 Cu N2 -","- C52 H92 Cu4 N8 -","4","1","","Park, Kyung-Ho; Bradley, Alexander Z.; Thompson, Jeffery S.; Marshall, Will J.","Nonfluorinated Volatile Copper(I) 1,3-Diketiminates as Precursors for Cu Metal Deposition via Atomic Layer Deposition","Inorganic Chemistry","2006","45","21","8480","8482","10.1021/ic061016e","","","0.71073","MoKα","","0.0686","0.0389","","","0.0687","0.0739","","","","","","0.85","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332882","13.7989","0.0009","14.1239","0.0009","14.3394","0.0009","90","","90","","90","","2794.7","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 La N5 O15 Zn -","- C22 H18 La N5 O15 Zn -","- C88 H72 La4 N20 O60 Zn4 -","4","1","","Lo, Wing-Kit; Wong, Wai-Kwok; Wong, Wai-Yeung; Guo, Jianping; Yeung, Kai-Tai; Cheng, Yuen-Kit; Yang, Xiaoping; Jones, Richard A.","Heterobimetallic Zn(II)−Ln(III) Phenylene-Bridged Schiff Base Complexes, Computational Studies, and Evidence for Singlet Energy Transfer as the Main Pathway in the Sensitization of Near-Infrared Nd3+Luminescence","Inorganic Chemistry","2006","45","23","9315","9325","10.1021/ic0610177","","","0.71073","MoKα","","0.0225","0.0201","","","0.0524","0.0535","","","","","","1.051","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332883","9.5729","0.0011","12.5568","0.0015","13.7143","0.0016","86.346","0.002","73.593","0.002","67.874","0.002","1463.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 N5 Nd O14 Zn -","- C24 H24 N5 Nd O14 Zn -","- C48 H48 N10 Nd2 O28 Zn2 -","2","1","","Lo, Wing-Kit; Wong, Wai-Kwok; Wong, Wai-Yeung; Guo, Jianping; Yeung, Kai-Tai; Cheng, Yuen-Kit; Yang, Xiaoping; Jones, Richard A.","Heterobimetallic Zn(II)−Ln(III) Phenylene-Bridged Schiff Base Complexes, Computational Studies, and Evidence for Singlet Energy Transfer as the Main Pathway in the Sensitization of Near-Infrared Nd3+Luminescence","Inorganic Chemistry","2006","45","23","9315","9325","10.1021/ic0610177","","","0.71073","MoKα","","0.1145","0.0557","","","0.1248","0.1545","","","","","","0.914","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332884","15.9057","0.0013","9.1628","0.0008","20.5282","0.0017","90","","106.688","0.002","90","","2865.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Er N5 O14 Zn -","- C24 H24 Er N5 O14 Zn -","- C96 H96 Er4 N20 O56 Zn4 -","4","1","","Lo, Wing-Kit; Wong, Wai-Kwok; Wong, Wai-Yeung; Guo, Jianping; Yeung, Kai-Tai; Cheng, Yuen-Kit; Yang, Xiaoping; Jones, Richard A.","Heterobimetallic Zn(II)−Ln(III) Phenylene-Bridged Schiff Base Complexes, Computational Studies, and Evidence for Singlet Energy Transfer as the Main Pathway in the Sensitization of Near-Infrared Nd3+Luminescence","Inorganic Chemistry","2006","45","23","9315","9325","10.1021/ic0610177","","","0.71073","MoKα","","0.1214","0.0446","","","0.0911","0.1165","","","","","","1.002","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332885","50.377","0.003","16.4194","0.0009","19.3599","0.001","90","","90","","90","","16013.7","1.5","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38 H35 N6 Nd O14 Zn -","- C38 H30 N6 Nd O14 Zn -","- C608 H480 N96 Nd16 O224 Zn16 -","16","1","","Lo, Wing-Kit; Wong, Wai-Kwok; Wong, Wai-Yeung; Guo, Jianping; Yeung, Kai-Tai; Cheng, Yuen-Kit; Yang, Xiaoping; Jones, Richard A.","Heterobimetallic Zn(II)−Ln(III) Phenylene-Bridged Schiff Base Complexes, Computational Studies, and Evidence for Singlet Energy Transfer as the Main Pathway in the Sensitization of Near-Infrared Nd3+Luminescence","Inorganic Chemistry","2006","45","23","9315","9325","10.1021/ic0610177","","","0.71073","MoKα","","0.0897","0.0383","","","0.0717","0.0835","","","","","","0.866","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332886","6.6523","0.0008","16.879","0.002","17.184","0.002","90","","97.91","0.002","90","","1911.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","1","","Lo, Wing-Kit; Wong, Wai-Kwok; Wong, Wai-Yeung; Guo, Jianping; Yeung, Kai-Tai; Cheng, Yuen-Kit; Yang, Xiaoping; Jones, Richard A.","Heterobimetallic Zn(II)−Ln(III) Phenylene-Bridged Schiff Base Complexes, Computational Studies, and Evidence for Singlet Energy Transfer as the Main Pathway in the Sensitization of Near-Infrared Nd3+Luminescence","Inorganic Chemistry","2006","45","23","9315","9325","10.1021/ic0610177","","","0.71073","MoKα","","0.0882","0.0393","","","0.0983","0.1165","","","","","","0.926","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332887","16.761","0.0018","7.4221","0.0008","23.799","0.003","90","","105.982","0.002","90","","2846.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 N2 O4 -","- C36 H32 N2 O4 -","- C144 H128 N8 O16 -","4","1","","Lo, Wing-Kit; Wong, Wai-Kwok; Wong, Wai-Yeung; Guo, Jianping; Yeung, Kai-Tai; Cheng, Yuen-Kit; Yang, Xiaoping; Jones, Richard A.","Heterobimetallic Zn(II)−Ln(III) Phenylene-Bridged Schiff Base Complexes, Computational Studies, and Evidence for Singlet Energy Transfer as the Main Pathway in the Sensitization of Near-Infrared Nd3+Luminescence","Inorganic Chemistry","2006","45","23","9315","9325","10.1021/ic0610177","","","0.71073","MoKα","","0.1234","0.0517","","","0.1237","0.1515","","","","","","0.885","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332888","9.9648","0.0008","10.0443","0.0009","12.032","0.0011","67.53","0.007","89.104","0.007","65.392","0.006","996.91","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H40 Cl14 Nb6 O10 -","- C10 H40 Cl14 Nb6 O10 -","- C10 H40 Cl14 Nb6 O10 -","1","0.5","","Piedra-Garza, Luis Fernando; Köckerling, Martin","Straightforward Synthesis and Structure of a New Starting Material for Niobium Cluster Phases: [Nb6Cli12(CH3OH)a4Cla2]·6CH3OH","Inorganic Chemistry","2006","45","22","8829","8831","10.1021/ic061020q","","","0.71073","MoKα","","0.0654","0.0484","","","0.1065","0.1103","","","","","","1.161","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332889","9.2741","0.0013","9.2741","0.0013","7.2184","0.0014","90","","90","","120","","537.67","0.15","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- Al3 B4 O12 Tm -","- Al3 B4 O12 Tm -","- Al9 B12 O36 Tm3 -","3","0.166667","","Jia, Guohua; Tu, Chaoyang; Li, Jianfu; You, Zhenyu; Zhu, Zhaojie; Wu, Baichang","Crystal Structure, Judd−Ofelt Analysis, and Spectroscopic Assessment of a TmAl3(BO3)4Crystal as a New Potential Diode-Pumped Laser near 1.9 μm","Inorganic Chemistry","2006","45","23","9326","9331","10.1021/ic061025n","","","0.71073","MoKα","","0.0153","0.0153","","","0.0404","0.0404","","","","","","1.084","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332890","10.5737","0.0003","13.7069","0.0004","25.3967","0.0007","90","","100.352","0.002","90","","3620.9","0.18","150","","150","","","","","","","","C. Milios","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 N14 Ni3 O6 -","- C31 H34 N14 Ni3 O6 -","- C124 H136 N56 Ni12 O24 -","4","1","","Milios, Constantinos J.; Prescimone, Alessandro; Sanchez-Benitez, J.; Parsons, Simon; Murrie, Mark; Brechin, Euan K.","High-Spin M2+Carboxylate Triangles from the Microwave","Inorganic Chemistry","2006","45","18","7053","7055","10.1021/ic061035o","","","0.71073","MoKα","","0.1247","0.0618","","0.1797","0.1417","0.1797","","","","","","0.7201","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332891","10.645","0.0002","13.715","0.0003","25.4911","0.0005","90","","100.113","0.001","90","","3663.78","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 Co3 N14 O6 -","- C31 H34 Co3 N14 O6 -","- C124 H136 Co12 N56 O24 -","4","1","","Milios, Constantinos J.; Prescimone, Alessandro; Sanchez-Benitez, J.; Parsons, Simon; Murrie, Mark; Brechin, Euan K.","High-Spin M2+Carboxylate Triangles from the Microwave","Inorganic Chemistry","2006","45","18","7053","7055","10.1021/ic061035o","","","0.71073","MoKα","","0.0667","0.0343","","0.0741","0.0689","0.0741","","","","","","0.7464","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332892","9.163","0.006","19.047","0.013","20.123","0.014","116.615","0.009","97.989","0.011","95.037","0.01","3064","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","hein01","hein01","","- C58 H72 Co2 Fe4 O12 S4 -","- C58 H72 Co2 Fe4 O12 S4 -","- C116 H144 Co4 Fe8 O24 S8 -","2","1","","Aguirre de Carcer, Inigo; DiPasquale, Antonio; Rheingold, Arnold L.; Heinekey, D. Michael","Active-Site Models for Iron Hydrogenases: Reduction Chemistry of Dinuclear Iron Complexes","Inorganic Chemistry","2006","45","20","8000","8002","10.1021/ic0610381","","","0.71069","MoKα","","0.0729","0.0467","","","0.089","0.096","","","","","","0.924","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332893","12.8","0.002","19.804","0.004","7.66","0.003","90","","90","","90","","1941.7","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H24 Cu N2 O5 -","- C20 H24 Cu N2 O5 -","- C80 H96 Cu4 N8 O20 -","4","0.5","","Nayak, Malabika; Koner, Rajesh; Lin, Hsin-Huang; Flörke, Ulrich; Wei, Ho-Hsiang; Mohanta, Sasankasekhar","Syntheses, Structures, and Magnetic Properties of Mononuclear CuIIand Tetranuclear CuII3MII(M = Cu, Co, or Mn) Compounds Derived fromN,N‘-Ethylenebis(3-ethoxysalicylaldimine): Cocrystallization Due to Potential Encapsulation of Water","Inorganic Chemistry","2006","45","26","10764","10773","10.1021/ic061049u","","","0.71073","MoKα","","0.0639","0.0424","","","0.106","0.118","","","","","","1.052","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332894","22.1371","0.0007","26.0705","0.0008","23.65","0.0007","90","","107.142","0.0008","90","","13042.7","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Cl2 Cu4 N6 O23 -","- C60 H72 Cl2 Cu4 N6 O23 -","- C480 H576 Cl16 Cu32 N48 O184 -","8","2","","Nayak, Malabika; Koner, Rajesh; Lin, Hsin-Huang; Flörke, Ulrich; Wei, Ho-Hsiang; Mohanta, Sasankasekhar","Syntheses, Structures, and Magnetic Properties of Mononuclear CuIIand Tetranuclear CuII3MII(M = Cu, Co, or Mn) Compounds Derived fromN,N‘-Ethylenebis(3-ethoxysalicylaldimine): Cocrystallization Due to Potential Encapsulation of Water","Inorganic Chemistry","2006","45","26","10764","10773","10.1021/ic061049u","","","0.71073","MoKα","","0.1334","0.0538","","","0.1355","0.1696","","","","","","1.034","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332895","15.4775","0.0014","22.468","0.005","18.776","0.002","90","","95.68","0.01","90","","6497.3","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H72 Cl2 Co Cu3 N6 O23 -","- C60 H66 Cl2 Co Cu3 N6 O23 -","- C240 H264 Cl8 Co4 Cu12 N24 O92 -","4","0.5","","Nayak, Malabika; Koner, Rajesh; Lin, Hsin-Huang; Flörke, Ulrich; Wei, Ho-Hsiang; Mohanta, Sasankasekhar","Syntheses, Structures, and Magnetic Properties of Mononuclear CuIIand Tetranuclear CuII3MII(M = Cu, Co, or Mn) Compounds Derived fromN,N‘-Ethylenebis(3-ethoxysalicylaldimine): Cocrystallization Due to Potential Encapsulation of Water","Inorganic Chemistry","2006","45","26","10764","10773","10.1021/ic061049u","","","0.71073","MoKα","","0.1959","0.0854","","","0.1545","0.2106","","","","","","1.077","","","","has coordinates,has disorder","176665","2020-10-21","18:00:00",""
"4332896","15.551","0.01","22.63","0.009","18.964","0.004","90","","95.55","0.05","90","","6643","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H72 Cl2 Cu3 Mn N6 O23 -","- C60 H70 Cl2 Cu3 Mn N6 O23 -","- C240 H280 Cl8 Cu12 Mn4 N24 O92 -","4","0.5","","Nayak, Malabika; Koner, Rajesh; Lin, Hsin-Huang; Flörke, Ulrich; Wei, Ho-Hsiang; Mohanta, Sasankasekhar","Syntheses, Structures, and Magnetic Properties of Mononuclear CuIIand Tetranuclear CuII3MII(M = Cu, Co, or Mn) Compounds Derived fromN,N‘-Ethylenebis(3-ethoxysalicylaldimine): Cocrystallization Due to Potential Encapsulation of Water","Inorganic Chemistry","2006","45","26","10764","10773","10.1021/ic061049u","","","0.71073","MoKα","","0.1034","0.057","","","0.135","0.1577","","","","","","1.048","","","","has coordinates","176665","2020-10-21","18:00:00",""
"4332897","18.003","0.002","30.929","0.004","19.443","0.003","90","","90","","90","","10826","2","223.1","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C45 H36 N20 Ni2 O S4 -","- C45 H35 N20 Ni2 O S4 -","- C360 H280 N160 Ni16 O8 S32 -","8","0.5","","Noro, Shin-ichiro; Kitaura, Ryo; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Functionalities of One-Dimensional Dynamic Ultramicropores in Nickel(II) Coordination Polymers","Inorganic Chemistry","2006","45","22","8990","8997","10.1021/ic061052d","","","0.71075","MoKα","","","0.0379","","","","0.0734","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332898","17.952","0.002","30.817","0.004","19.435","0.004","90","","90","","90","","10752","3","173.1","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C46 H38 N20 Ni2 O S4 -","- C46 H32 N20 Ni2 O S4 -","- C368 H256 N160 Ni16 O8 S32 -","8","0.5","","Noro, Shin-ichiro; Kitaura, Ryo; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Functionalities of One-Dimensional Dynamic Ultramicropores in Nickel(II) Coordination Polymers","Inorganic Chemistry","2006","45","22","8990","8997","10.1021/ic061052d","","","0.71075","MoKα","","","0.0447","","","","0.0682","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332899","17.9172","0.0017","31.246","0.003","19.332","0.002","90","","90","","90","","10822.8","1.8","273.1","","","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C44 H32 N20 Ni2 S4 -","- C44 H32 N20 Ni2 S4 -","- C352 H256 N160 Ni16 S32 -","8","0.5","","Noro, Shin-ichiro; Kitaura, Ryo; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Functionalities of One-Dimensional Dynamic Ultramicropores in Nickel(II) Coordination Polymers","Inorganic Chemistry","2006","45","22","8990","8997","10.1021/ic061052d","","","0.71075","MoKα","","","0.0409","","","","0.0569","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332900","18.092","0.003","31.514","0.005","19.15","0.002","90","","90","","90","","10918","3","93.1","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C45 H36 N20 Ni2 O Se4 -","- C45 H35 N20 Ni2 O Se4 -","- C360 H280 N160 Ni16 O8 Se32 -","8","0.5","","Noro, Shin-ichiro; Kitaura, Ryo; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Functionalities of One-Dimensional Dynamic Ultramicropores in Nickel(II) Coordination Polymers","Inorganic Chemistry","2006","45","22","8990","8997","10.1021/ic061052d","","","0.71075","MoKα","","","0.0557","","","","0.0645","","","","","","1.245","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332901","18.154","0.002","31.786","0.003","19.053","0.002","90","","90","","90","","10994","2","273.1","","","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C44 H32 N20 Ni2 Se4 -","- C44 H32 N20 Ni2 Se4 -","- C352 H256 N160 Ni16 Se32 -","8","0.5","","Noro, Shin-ichiro; Kitaura, Ryo; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Functionalities of One-Dimensional Dynamic Ultramicropores in Nickel(II) Coordination Polymers","Inorganic Chemistry","2006","45","22","8990","8997","10.1021/ic061052d","","","0.71075","MoKα","","","0.0379","","","","0.0514","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332902","9.079","0.0009","20.3666","0.0019","8.8084","0.0008","90","","104.667","0.002","90","","1575.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H19 Fe N3 O14 S3 -","- C3 H19 Fe N3 O14 S3 -","- C12 H76 Fe4 N12 O56 S12 -","4","1","","Fu, Yunlong; Xu, Zhiwei; Ren, Jialin; Wu, Haishun; Yuan, Rong","Organically Directed Iron Sulfate Chains: Structural Diversity Based on Hydrogen Bonding Interactions","Inorganic Chemistry","2006","45","20","8452","8458","10.1021/ic061059v","","","0.71073","MoKα","","0.0737","0.0573","","","0.1056","0.1118","","","","","","1.188","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332903","6.9445","0.0008","10.2823","0.0011","15.1234","0.0016","90","","90.932","0.002","90","","1079.8","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H13 Fe N2 O10 S2 -","- C2 H13 Fe N2 O10 S2 -","- C8 H52 Fe4 N8 O40 S8 -","4","1","","Fu, Yunlong; Xu, Zhiwei; Ren, Jialin; Wu, Haishun; Yuan, Rong","Organically Directed Iron Sulfate Chains: Structural Diversity Based on Hydrogen Bonding Interactions","Inorganic Chemistry","2006","45","20","8452","8458","10.1021/ic061059v","","","0.71073","MoKα","","0.042","0.0336","","","0.0865","0.091","","","","","","1.071","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332904","5.6835","0.0008","9.1834","0.0013","10.3786","0.0015","86.839","0.003","82.395","0.002","87.214","0.003","535.65","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H11 Fe N O10 S2 -","- C3 H11 Fe N O10 S2 -","- C6 H22 Fe2 N2 O20 S4 -","2","1","","Fu, Yunlong; Xu, Zhiwei; Ren, Jialin; Wu, Haishun; Yuan, Rong","Organically Directed Iron Sulfate Chains: Structural Diversity Based on Hydrogen Bonding Interactions","Inorganic Chemistry","2006","45","20","8452","8458","10.1021/ic061059v","","","0.71073","MoKα","","0.0536","0.046","","","0.1247","0.1388","","","","","","1.153","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332905","20.0048","0.0013","7.2039","0.0005","12.2673","0.0008","90","","90","","90","","1767.9","0.2","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C4 H18 Fe2 N2 O17 S3 -","- C4 H18 Fe2 N2 O17 S3 -","- C16 H72 Fe8 N8 O68 S12 -","4","1","","Fu, Yunlong; Xu, Zhiwei; Ren, Jialin; Wu, Haishun; Yuan, Rong","Organically Directed Iron Sulfate Chains: Structural Diversity Based on Hydrogen Bonding Interactions","Inorganic Chemistry","2006","45","20","8452","8458","10.1021/ic061059v","","","0.71073","MoKα","","0.0345","0.0302","","","0.0612","0.0631","","","","","","1.045","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332906","7.3719","0.0005","7.4456","0.0006","16.5448","0.0012","87.659","0.001","87.044","0.001","77.222","0.001","884.04","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H20 Fe2 N O18 S3 -","- C3 H20 Fe2 N O18 S3 -","- C6 H40 Fe4 N2 O36 S6 -","2","1","","Fu, Yunlong; Xu, Zhiwei; Ren, Jialin; Wu, Haishun; Yuan, Rong","Organically Directed Iron Sulfate Chains: Structural Diversity Based on Hydrogen Bonding Interactions","Inorganic Chemistry","2006","45","20","8452","8458","10.1021/ic061059v","","","0.71073","MoKα","","0.0338","0.0301","","","0.08","0.0822","","","","","","1.061","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332907","19.5273","0.0014","19.5273","0.0014","12.1908","0.0012","90","","90","","90","","4648.5","0.7","273","2","273","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C3 H10 Fe N2 O10 S2 -","- C3 H10 Fe N2 O10 S2 -","- C48 H160 Fe16 N32 O160 S32 -","16","1","","Fu, Yunlong; Xu, Zhiwei; Ren, Jialin; Wu, Haishun; Yuan, Rong","Organically Directed Iron Sulfate Chains: Structural Diversity Based on Hydrogen Bonding Interactions","Inorganic Chemistry","2006","45","20","8452","8458","10.1021/ic061059v","","","0.71073","MoKα","","0.0768","0.0644","","","0.1532","0.1603","","","","","","1.074","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332908","7.676","0.005","16.301","0.01","22.599","0.014","90","","91.422","0.011","90","","2827","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Hg2 N18 O12 S2 -","- C48 H32 Hg2 N18 O12 S2 -","- C96 H64 Hg4 N36 O24 S4 -","2","0.5","","Zhao, Yonggang; Lin, Zhihua; He, Cheng; Wu, Hongmei; Duan, Chunying","A “Turn-On” Fluorescent Sensor for Selective Hg(II) Detection in Aqueous Media Based on Metal-Induced Dye Formation","Inorganic Chemistry","2006","45","25","10013","10015","10.1021/ic061067b","","","0.71073","MoKα","","0.0815","0.0579","","","0.1574","0.1644","","","","","","1.054","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4332909","10.558","0.001","14.587","0.001","15.36","0.001","90","","107.09","0.01","90","","2261.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Cl2 Hg N8 -","- C23 H16 Cl2 Hg N8 -","- C92 H64 Cl8 Hg4 N32 -","4","1","","Zhao, Yonggang; Lin, Zhihua; He, Cheng; Wu, Hongmei; Duan, Chunying","A “Turn-On” Fluorescent Sensor for Selective Hg(II) Detection in Aqueous Media Based on Metal-Induced Dye Formation","Inorganic Chemistry","2006","45","25","10013","10015","10.1021/ic061067b","","","0.71073","MoKα","","0.0707","0.0462","","","0.0858","0.0899","","","","","","1.01","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332910","13.915","0.002","21.967","0.004","23.476","0.004","90","","98.499","0.003","90","","7097","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","06026a","","","- C81 H87 Fe N O7 Tl -","- C81 H87 Fe N O7 Tl -","- C324 H348 Fe4 N4 O28 Tl4 -","4","1","","Klein, David P.; Young, Victor G.; Tolman, William B.; Que, Lawrence","Mononitrosyl Iron Complexes Supported by Sterically Hindered Carboxylate Ligands","Inorganic Chemistry","2006","45","20","8006","8008","10.1021/ic0610740","","","0.71073","MoKα","","0.0621","0.0296","","","0.0611","0.0742","","","","","","1.08","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332911","28.627","0.006","13.815","0.003","28.691","0.006","90","","113.068","0.003","90","","10439","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","05279yyy","","","- C104 H112 Cl8 Fe4 N4 O16 -","- C104 H112 Cl8 Fe4 N4 O16 -","- C416 H448 Cl32 Fe16 N16 O64 -","4","0.5","","Klein, David P.; Young, Victor G.; Tolman, William B.; Que, Lawrence","Mononitrosyl Iron Complexes Supported by Sterically Hindered Carboxylate Ligands","Inorganic Chemistry","2006","45","20","8006","8008","10.1021/ic0610740","","","0.71073","MoKα","","0.1509","0.071","","","0.144","0.164","","","","","","0.981","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332912","13.846","0.007","11.493","0.006","15.958","0.008","90","","90.687","0.009","90","","2539","2","208","2","208","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C50 H56 B Cl2 Co2 F4 N8 O6 -","- C42 H36 B Cl2 Co2 F4 N8 O4 -","- C84 H72 B2 Cl4 Co4 F8 N16 O8 -","2","0.5","","Min, Kil Sik; Rheingold, Arnold L.; DiPasquale, Antonio; Miller, Joel S.","Characterization of the Chloranilate(•3−)πRadical as a Strong Spin-Coupling Bridging Ligand","Inorganic Chemistry","2006","45","16","6135","6137","10.1021/ic061076k","","","0.71073","MoKα","","0.0591","0.0469","","","0.13","0.1359","","","","","","0.994","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332913","21.725","0.002","17.5813","0.0019","13.8866","0.0014","90","","98.358","0.002","90","","5247.7","0.9","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H24 N9 O12 Re3 S3 -","- C27 H24 N9 O12 Re3 S3 -","- C108 H96 N36 O48 Re12 S12 -","4","1","","Barbazán, Paula; Carballo, Rosa; Casas, José S.; García-Martínez, Emilia; Pereiras-Gabián, Gumersindo; Sánchez, Agustín; Vázquez-López, Ezequiel M.","Synthesis and Characterization of New Trimeric Rhenium(I) Complexes. The Influence of Steric Factors on the Size of Pyrazolonaterhenium(I) Metallomacrocycles","Inorganic Chemistry","2006","45","18","7323","7330","10.1021/ic061080w","","","0.71073","MoKα","","0.1252","0.07","","","0.1525","0.1742","","","","","","0.791","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332914","17.2386","0.0011","13.0484","0.0008","27.6698","0.0017","90","","104.497","0.002","90","","6025.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 N9 O12 Re3 S3 -","- C56 H46 N9 O12 Re3 S3 -","- C224 H184 N36 O48 Re12 S12 -","4","1","","Barbazán, Paula; Carballo, Rosa; Casas, José S.; García-Martínez, Emilia; Pereiras-Gabián, Gumersindo; Sánchez, Agustín; Vázquez-López, Ezequiel M.","Synthesis and Characterization of New Trimeric Rhenium(I) Complexes. The Influence of Steric Factors on the Size of Pyrazolonaterhenium(I) Metallomacrocycles","Inorganic Chemistry","2006","45","18","7323","7330","10.1021/ic061080w","","","0.71073","MoKα","","0.2007","0.0446","","","0.0596","0.0801","","","","","","0.691","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332915","19.0752","0.0015","16.8519","0.0013","19.367","0.0015","90","","112.146","0.002","90","","5766.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 N9 O12 Re3 S3 -","- C42 H30 N9 O12 Re3 S3 -","- C168 H120 N36 O48 Re12 S12 -","4","1","","Barbazán, Paula; Carballo, Rosa; Casas, José S.; García-Martínez, Emilia; Pereiras-Gabián, Gumersindo; Sánchez, Agustín; Vázquez-López, Ezequiel M.","Synthesis and Characterization of New Trimeric Rhenium(I) Complexes. The Influence of Steric Factors on the Size of Pyrazolonaterhenium(I) Metallomacrocycles","Inorganic Chemistry","2006","45","18","7323","7330","10.1021/ic061080w","","","0.71073","MoKα","","0.1714","0.061","","","0.1364","0.1591","","","","","","0.852","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332916","37.2352","0.0005","11.7024","0.0001","14.9951","0.0002","90","","90","","90","","6533.98","0.14","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C54 H99 Ag3 I P3 Se4 W -","- C54 H99 Ag3 I P3 Se4 W -","- C216 H396 Ag12 I4 P12 Se16 W4 -","4","1","","Zhang, Qian-Feng; Ding, Jihai; Yu, Zhan; Song, Yinglin; Rothenberger, Alexander; Fenske, Dieter; Leung, Wa-Hung","Syntheses, Structures, and Nonlinear Optical Properties of Heteroselenometallic W−Se−Ag Cluster Compounds Containing Phosphine Ligands","Inorganic Chemistry","2006","45","21","8638","8647","10.1021/ic0610839","","","0.71073","MoKα","","0.0543","0.031","","","0.0513","0.0569","","","","","","1.006","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332917","11.3322","0.0012","17.113","0.0018","23.541","0.003","86.761","0.005","77.665","0.006","82.548","0.006","4420.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H66 Ag2 P2 Se4 W -","- C36 H66 Ag2 P2 Se4 W -","- C144 H264 Ag8 P8 Se16 W4 -","4","2","","Zhang, Qian-Feng; Ding, Jihai; Yu, Zhan; Song, Yinglin; Rothenberger, Alexander; Fenske, Dieter; Leung, Wa-Hung","Syntheses, Structures, and Nonlinear Optical Properties of Heteroselenometallic W−Se−Ag Cluster Compounds Containing Phosphine Ligands","Inorganic Chemistry","2006","45","21","8638","8647","10.1021/ic0610839","","","0.71073","MoKα","","0.1007","0.0654","","","0.1422","0.2012","","","","","","1.091","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332918","18.553","0.004","14.078","0.003","21.755","0.004","90","","98.84","0.03","90","","5615","2","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 Ag3 I N3 O P4 Se4 W -","- C51 H49 Ag3 I N3 O P4 Se4 W -","- C204 H196 Ag12 I4 N12 O4 P16 Se16 W4 -","4","1","","Zhang, Qian-Feng; Ding, Jihai; Yu, Zhan; Song, Yinglin; Rothenberger, Alexander; Fenske, Dieter; Leung, Wa-Hung","Syntheses, Structures, and Nonlinear Optical Properties of Heteroselenometallic W−Se−Ag Cluster Compounds Containing Phosphine Ligands","Inorganic Chemistry","2006","45","21","8638","8647","10.1021/ic0610839","","","0.71073","MoKα","","0.0552","0.0435","","","0.1116","0.1162","","","","","","1.019","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332919","22.732","0.005","14.137","0.003","28.173","0.006","90","","107.01","0.03","90","","8658","4","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C79 H75 Ag4 Cl2 N O P6 Se8 W2 -","- C79 H75 Ag4 Cl2 N O P6 Se8 W2 -","- C316 H300 Ag16 Cl8 N4 O4 P24 Se32 W8 -","4","1","","Zhang, Qian-Feng; Ding, Jihai; Yu, Zhan; Song, Yinglin; Rothenberger, Alexander; Fenske, Dieter; Leung, Wa-Hung","Syntheses, Structures, and Nonlinear Optical Properties of Heteroselenometallic W−Se−Ag Cluster Compounds Containing Phosphine Ligands","Inorganic Chemistry","2006","45","21","8638","8647","10.1021/ic0610839","","","0.71073","MoKα","","0.0592","0.043","","","0.0664","0.0699","","","","","","0.987","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332920","27.246","0.002","30.008","0.002","20.15","0.002","90","","107.96","0.009","90","","15672","2","298","","","","","","","","","","Local laboratory","7","C 1 2/c 1","-C 2yc","15","[Ru(tpy)(tmhd)-(dcb)-Ru(tpy)(tmhd)](PF6)2","","","- C60 H64 F12 N10 O4 P2 Ru2 -","- C60 H64 F12 N10 O4 P2 Ru2 -","- C480 H512 F96 N80 O32 P16 Ru16 -","8","1","","Fabre, Muriel; Jaud, Joël; Hliwa, Mohamed; Launay, Jean-Pierre; Bonvoisin, Jacques","On the Role of the Bridging Dicyanamidobenzene Ligand in a New Binuclear Ruthenium Complex: [{Ru(tpy)(thd)}2(μ-dicyd)][PF6] with tpy = 2,2‘:6‘,2‘ ‘-Terpyridine and thd = 2,2,6,6-Tetramethyl-3,5-heptanedione","Inorganic Chemistry","2006","45","23","9332","9345","10.1021/ic061085t","","","0.71073","MoKα","","0.2567","0.0665","","","0.174","0.2399","","","","","","0.902","","","","has coordinates","201216","2020-10-21","18:00:00",""
"4332921","18.75","0.003","18.75","0.003","40.547","0.008","90","","90","","120","","12345","4","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- In91.05 K34 Mg13.95 -","- In91.05 K34 Mg13.95 -","- In273.15 K102 Mg41.85 -","3","0.0833333","","Li, Bin; Corbett, John D.","Electronic Stabilization Effects: Three New K−In−T (T = Mg, Au, Zn) Network Compounds","Inorganic Chemistry","2006","45","22","8958","8964","10.1021/ic061089y","","","0.71073","MoKα","","0.074","0.0355","","","0.0603","0.0635","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332922","18.4741","0.0004","18.4741","0.0004","39.9599","0.0019","90","","90","","120","","11810.9","0.7","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Au8.81 In96.19 K34 -","- Au8.812 In96.188 K34 -","- Au26.436 In288.564 K102 -","3","0.0833333","","Li, Bin; Corbett, John D.","Electronic Stabilization Effects: Three New K−In−T (T = Mg, Au, Zn) Network Compounds","Inorganic Chemistry","2006","45","22","8958","8964","10.1021/ic061089y","","","0.71073","MoKα","","0.0428","0.0294","","","0.0735","0.0993","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332923","18.4391","0.0008","18.4391","0.0008","40.086","0.003","90","","90","","120","","11803.3","1.1","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- In89.95 K34 Zn13.05 -","- In89.948 K34 Zn13.056 -","- In269.844 K102 Zn39.168 -","3","0.0833333","","Li, Bin; Corbett, John D.","Electronic Stabilization Effects: Three New K−In−T (T = Mg, Au, Zn) Network Compounds","Inorganic Chemistry","2006","45","22","8958","8964","10.1021/ic061089y","","","0.71073","MoKα","","0.0545","0.0327","","","0.0574","0.0646","","","","","","1.079","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332924","11.7517","0.0019","29.076","0.004","12.5466","0.0017","90","","104.937","0.017","90","","4142.2","1.1","180","2","180","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Oxo[O-acetyl-p-tert-butyl-calix[4]aren-trihydroxylato]vanadium(V)","","- C46 H55 O6 V -","- C46 H55 O6 V -","- C184 H220 O24 V4 -","4","1","","Hoppe, Elke; Limberg, Christian; Ziemer, Burkhard","Mono- and Dinuclear Oxovanadium(V)calixarene Complexes and Their Activity as Oxidation Catalysts","Inorganic Chemistry","2006","45","20","8308","8317","10.1021/ic061106j","","","0.71073","MoKα","","0.0863","0.0454","","","0.0925","0.1033","","","","","","0.879","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332925","17.0125","0.0003","28.8155","0.0007","23.6724","0.0004","90","","99.119","0.001","90","","11458.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ph~4~P[p-tert-butyl-calix[8]arene heptahydroxylato dioxodivanadate(V)]","","- C126 H146 N7 O10 P V2 -","- C126 H146 N7 O10 P V2 -","- C504 H584 N28 O40 P4 V8 -","4","1","","Hoppe, Elke; Limberg, Christian; Ziemer, Burkhard","Mono- and Dinuclear Oxovanadium(V)calixarene Complexes and Their Activity as Oxidation Catalysts","Inorganic Chemistry","2006","45","20","8308","8317","10.1021/ic061106j","","","0.71073","MoKα","","0.0862","0.0689","","","0.1594","0.1677","","","","","","1.123","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4332926","20.4465","0.0015","11.381","0.0016","20.2634","0.0015","90","","90","","90","","4715.3","0.8","180","2","180","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Dimethoxo-dioxo-m-oxo[1,3-dimethyl-p-tert-butyl-calix[4] aren-dihydroxylato]divanadium(V)","","- C48 H64 O9 V2 -","- C48 H64 O9 V2 -","- C192 H256 O36 V8 -","4","0.5","","Hoppe, Elke; Limberg, Christian; Ziemer, Burkhard","Mono- and Dinuclear Oxovanadium(V)calixarene Complexes and Their Activity as Oxidation Catalysts","Inorganic Chemistry","2006","45","20","8308","8317","10.1021/ic061106j","","","0.71073","MoKα","","0.0938","0.0438","","","0.0933","0.1058","","","","","","0.831","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4332927","19.398","0.003","13.05","0.002","23.944","0.004","90","","100.25","0.02","90","","5964.5","1.7","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","nBu~4~N[p-tert-butyl-calix[4]arene tetrahydroxylato oxovanadate(V)]","","- C61 H90 Cl2 N O5 V -","- C61 H90 Cl2 N O5 V -","- C244 H360 Cl8 N4 O20 V4 -","4","1","","Hoppe, Elke; Limberg, Christian; Ziemer, Burkhard","Mono- and Dinuclear Oxovanadium(V)calixarene Complexes and Their Activity as Oxidation Catalysts","Inorganic Chemistry","2006","45","20","8308","8317","10.1021/ic061106j","","","0.71073","MoKα","","0.1891","0.0655","","","0.1269","0.1682","","","","","","0.772","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332928","12.763","0.003","12.763","0.003","18.722","0.009","90","","90","","90","","3049.7","1.8","150","2","150","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Ph~4~P[p-tert-butyl-calix[4]arene tetrahydroxylato oxovanadate(V)]","","- C69 H74 Cl2 O5 P V -","- C69 H74 Cl2 O5 P V -","- C138 H148 Cl4 O10 P2 V2 -","2","0.25","","Hoppe, Elke; Limberg, Christian; Ziemer, Burkhard","Mono- and Dinuclear Oxovanadium(V)calixarene Complexes and Their Activity as Oxidation Catalysts","Inorganic Chemistry","2006","45","20","8308","8317","10.1021/ic061106j","","","0.71073","MoKα","","0.055","0.0402","","","0.102","0.1135","","","","","","1.047","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4332929","10.5499","0.0007","12.4427","0.001","25.042","0.002","90","","99.12","0.02","90","","3245.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 Cu2 Fe P2 Se2 -","- C28 H50 Cu2 Fe P2 Se2 -","- C112 H200 Cu8 Fe4 P8 Se8 -","4","1","","Nitschke, Christian; Fenske, Dieter; Corrigan, John F.","Ferrocenyldiselenolate-Stabilized Copper−Selenium Clusters","Inorganic Chemistry","2006","45","23","9394","9401","10.1021/ic061111n","","","0.71073","MoKα","","0.0701","0.0555","","","0.1461","0.1792","","","","","","1.103","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332930","13.211","0.003","15.683","0.003","17.868","0.004","79.98","0.03","79.34","0.03","67.29","0.03","3334.5","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H100 Cu4 Fe2 P4 Se4 -","- C55.5 H99 Cu4 Fe2 P4 Se4 -","- C111 H198 Cu8 Fe4 P8 Se8 -","2","1","","Nitschke, Christian; Fenske, Dieter; Corrigan, John F.","Ferrocenyldiselenolate-Stabilized Copper−Selenium Clusters","Inorganic Chemistry","2006","45","23","9394","9401","10.1021/ic061111n","","","0.71073","MoKα","","0.0724","0.0466","","","0.1271","0.1754","","","","","","1.071","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4332931","16.325","0.001","18.02","0.001","18.004","0.001","79.962","0.005","78.051","0.005","68.331","0.005","4787.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C137 H258 Cu20 Fe4 P10 Se14 -","- C137 H242 Cu20 Fe4 P10 Se14 -","- C137 H242 Cu20 Fe4 P10 Se14 -","1","0.5","","Nitschke, Christian; Fenske, Dieter; Corrigan, John F.","Ferrocenyldiselenolate-Stabilized Copper−Selenium Clusters","Inorganic Chemistry","2006","45","23","9394","9401","10.1021/ic061111n","","","0.71073","MoKα","","0.0844","0.0691","","","0.1879","0.1989","","","","","","1.096","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4332932","12.953","0.0007","22.3199","0.0015","10.4615","0.0005","90","","112.431","0.004","90","","2795.7","0.3","100","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 Cu2 P4 S4 -","- C60 H66 Cu2 P4 S4 -","- C120 H132 Cu4 P8 S8 -","2","0.5","","Nitschke, Christian; Fenske, Dieter; Corrigan, John F.","Ferrocenyldiselenolate-Stabilized Copper−Selenium Clusters","Inorganic Chemistry","2006","45","23","9394","9401","10.1021/ic061111n","","","0.71073","MoKα","","0.0682","0.0442","","","0.1089","0.1166","","","","","","0.941","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332933","19.763","0.004","21.774","0.004","61.137","0.012","90","","91.62","0.03","90","","26298","9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C178.2 H293.2 Cu36 Fe6 P12 S1.7 Se24 -","- C178.2 Cu36 Fe6 P12 S1.7 Se24 -","- C712.8 Cu144 Fe24 P48 S6.8 Se96 -","4","1","","Nitschke, Christian; Fenske, Dieter; Corrigan, John F.","Ferrocenyldiselenolate-Stabilized Copper−Selenium Clusters","Inorganic Chemistry","2006","45","23","9394","9401","10.1021/ic061111n","","","0.71073","MoKα","","0.1337","0.0907","","","0.2538","0.2864","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332934","19.878","0.003","21.494","0.002","61.897","0.01","90","","92.28","0.01","90","","26425","6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C204 H276 Cu36 Fe6 P12 Se24 -","- C204 Cu36 Fe6 P12 Se24 -","- C816 Cu144 Fe24 P48 Se96 -","4","1","","Nitschke, Christian; Fenske, Dieter; Corrigan, John F.","Ferrocenyldiselenolate-Stabilized Copper−Selenium Clusters","Inorganic Chemistry","2006","45","23","9394","9401","10.1021/ic061111n","","","0.71073","MoKα","","0.1259","0.0911","","","0.2472","0.2782","","","","","","1.024","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4332935","16.313","0.0015","9.8226","0.0009","9.3062","0.0009","90","","97.01","0.002","90","","1480","0.2","300","2","300","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C16 H36 Cu2 F12 N6 O4 P2 -","- C16 H36 Cu2 F12 N6 O4 P2 -","- C32 H72 Cu4 F24 N12 O8 P4 -","2","0.5","","Barker, Julia E.; Liu, Yu; Yee, Gordon T.; Chen, Wei-Zhong; Wang, Guangbin; Rivera, Vilma M.; Ren, Tong","Cu2{[18]ane-N6} Complexes: Structures, Magnetism, and Phosphate Monoester Binding","Inorganic Chemistry","2006","45","19","7973","7980","10.1021/ic0611140","","","0.71073","MoKα","","0.0523","0.0479","","","0.1368","0.1433","","","","","","1.037","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332936","10.247","0.001","7.3761","0.0007","19.0313","0.0019","90","","96.425","0.002","90","","1429.4","0.2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H50 Cu2 N6 O16 -","- C14 H30 Cu2 N6 O16 -","- C28 H60 Cu4 N12 O32 -","2","0.5","","Barker, Julia E.; Liu, Yu; Yee, Gordon T.; Chen, Wei-Zhong; Wang, Guangbin; Rivera, Vilma M.; Ren, Tong","Cu2{[18]ane-N6} Complexes: Structures, Magnetism, and Phosphate Monoester Binding","Inorganic Chemistry","2006","45","19","7973","7980","10.1021/ic0611140","","","0.71073","MoKα","","0.0651","0.0453","","","0.1211","0.1362","","","","","","1.03","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332937","7.3995","0.0007","10.71","0.001","17.683","0.0017","90","","99.086","0.002","90","","1383.8","0.2","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H48 Cu2 N6 O16 P2 -","- C12 H32 Cu2 N6 O16 P2 -","- C24 H64 Cu4 N12 O32 P4 -","2","0.5","","Barker, Julia E.; Liu, Yu; Yee, Gordon T.; Chen, Wei-Zhong; Wang, Guangbin; Rivera, Vilma M.; Ren, Tong","Cu2{[18]ane-N6} Complexes: Structures, Magnetism, and Phosphate Monoester Binding","Inorganic Chemistry","2006","45","19","7973","7980","10.1021/ic0611140","","","0.71073","MoKα","","0.0633","0.0462","","","0.1173","0.1228","","","","","","1.016","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332938","11.4848","0.0007","16.6537","0.0009","18.2556","0.0011","90","","90","","90","","3491.6","0.4","300","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H52 Cu2 N6 O14 P2 -","- C24 H40 Cu2 N6 O14 P2 -","- C96 H160 Cu8 N24 O56 P8 -","4","0.5","","Barker, Julia E.; Liu, Yu; Yee, Gordon T.; Chen, Wei-Zhong; Wang, Guangbin; Rivera, Vilma M.; Ren, Tong","Cu2{[18]ane-N6} Complexes: Structures, Magnetism, and Phosphate Monoester Binding","Inorganic Chemistry","2006","45","19","7973","7980","10.1021/ic0611140","","","0.71073","MoKα","","0.0929","0.05","","","0.1228","0.1344","","","","","","1.03","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332939","23.187","0.008","8.135","0.002","18.158","0.007","90","","106.72","0.02","90","","3280.3","1.9","300","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H54 Cu2 N6 O17 P2 -","- C18 H44 Cu2 N6 O17 P2 -","- C72 H176 Cu8 N24 O68 P8 -","4","1","","Barker, Julia E.; Liu, Yu; Yee, Gordon T.; Chen, Wei-Zhong; Wang, Guangbin; Rivera, Vilma M.; Ren, Tong","Cu2{[18]ane-N6} Complexes: Structures, Magnetism, and Phosphate Monoester Binding","Inorganic Chemistry","2006","45","19","7973","7980","10.1021/ic0611140","","","0.71073","MoKα","","0.0687","0.0627","","","0.1591","0.1654","","","","","","1.009","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332940","14.451","0.0009","14.451","0.0009","20.6514","0.0018","90","","90","","120","","3734.9","0.5","300","2","300","2","","","","","","","","6","P 31","P 31","144","","","","- C24 H76 Cu2 N6 O30 P2 -","- C24 H52 Cu2 N6 O26.962 P2 -","- C72 H156 Cu6 N18 O80.886 P6 -","3","1","","Barker, Julia E.; Liu, Yu; Yee, Gordon T.; Chen, Wei-Zhong; Wang, Guangbin; Rivera, Vilma M.; Ren, Tong","Cu2{[18]ane-N6} Complexes: Structures, Magnetism, and Phosphate Monoester Binding","Inorganic Chemistry","2006","45","19","7973","7980","10.1021/ic0611140","","","0.71073","MoKα","","0.0976","0.0725","","","0.1802","0.1957","","","","","","1.031","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332941","3.9348","0.0006","3.9348","0.0006","15.268","0.003","90","","90","","120","","204.72","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Dy1.2 Fe4 Si9.9 -","- Dy1.166 Fe4 Si9.938 -","- Dy1.166 Fe4 Si9.938 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0165","0.0156","","","0.0317","0.0322","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332942","3.939","0.0006","3.939","0.0006","15.276","0.003","90","","90","","120","","205.26","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Er1.2 Fe4 Si9.9 -","- Er1.054 Fe4 Si9.896 -","- Er1.054 Fe4 Si9.896 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0148","0.0147","","","0.0313","0.0313","","","","","","1.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332943","3.9516","0.0006","3.9516","0.0006","15.342","0.003","90","","90","","120","","207.47","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe4 Gd1.2 Si9.9 -","- Fe4 Gd1.196 Si9.884 -","- Fe4 Gd1.196 Si9.884 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0187","0.0185","","","0.0415","0.0416","","","","","","1.215","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332944","3.9371","0.0006","3.9371","0.0006","15.292","0.003","90","","90","","120","","205.28","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe4 Ho1.2 Si9.9 -","- Fe4 Ho1.164 Si9.86 -","- Fe4 Ho1.164 Si9.86 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0181","0.0176","","","0.0348","0.0349","","","","","","1.351","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332945","3.9225","0.0006","3.9225","0.0006","15.249","0.003","90","","90","","120","","203.19","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe4 Lu1.2 Si9.9 -","- Fe4 Lu1.21 Si9.776 -","- Fe4 Lu1.21 Si9.776 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0167","0.0167","","","0.0382","0.0382","","","","","","1.193","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332946","3.9352","0.0006","3.9352","0.0006","15.299","0.003","90","","90","","120","","205.18","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe4 Si9.9 Tb1.2 -","- Fe4 Si9.848 Tb1.248 -","- Fe4 Si9.848 Tb1.248 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0185","0.0185","","","0.048","0.048","","","","","","1.297","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332947","3.9256","0.0006","3.9256","0.0006","15.263","0.003","90","","90","","120","","203.7","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe4 Si9.9 Tm1.2 -","- Fe4 Si9.896 Tm1.206 -","- Fe4 Si9.896 Tm1.206 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0169","0.0169","","","0.0394","0.0394","","","","","","1.197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332948","3.9493","0.0006","3.9493","0.0006","15.327","0.003","90","","90","","120","","207.03","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe4 Si9.9 Yb1.2 -","- Fe4 Si9.914 Yb1.07 -","- Fe4 Si9.914 Yb1.07 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd–Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0189","0.0188","","","0.0487","0.0487","","","","","","1.154","","","","has coordinates","288069","2023-12-06","11:45:40",""
"4332949","3.9408","0.0006","3.9408","0.0006","15.302","0.003","90","","90","","120","","205.8","0.06","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe4 Si9.9 Y1.2 -","- Fe4 Si9.884 Y1.214 -","- Fe4 Si9.884 Y1.214 -","1","0.0416667","","Han, Mi-Kyung; Wu, Ya-Qiao; Kramer, Matthew; Vatovez, Benjamin; Grandjean, Fernande; Long, Gary J.; Miller, Gordon J.","Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by Diffraction, Electron Microscopy, and Mössbauer Spectroscopy","Inorganic Chemistry","2006","45","26","10503","10519","10.1021/ic061117c","","","0.71073","MoKα","","0.0208","0.0208","","","0.0502","0.0502","","","","","","1.199","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332950","9.1355","0.0006","11.7412","0.0008","20.6366","0.0014","79.24","0.002","77.369","0.002","69.907","0.002","2013.4","0.2","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H43 B Cl3 F4 N3 P2 Ru -","- C40.99 H42.98 B Cl3 F4 N3 P2 Ru -","- C81.98 H85.96 B2 Cl6 F8 N6 P4 Ru2 -","2","1","","Mola, Joaquim; Rodríguez, Montserrat; Romero, Isabel; Llobet, Antoni; Parella, Teodor; Poater, Albert; Duran, Miquel; Solà, Miquel; Benet-Buchholz, Jordi","New Ru Complexes Containing the N-Tridentate bpea and Phosphine Ligands: Consequences of Meridional vs Facial Geometry","Inorganic Chemistry","2006","45","26","10520","10529","10.1021/ic061126l","","","0.71073","MoKα","","0.0548","0.0445","","","0.1109","0.118","","","","","","0.992","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332951","13.5744","0.0002","17.3626","0.0003","17.5228","0.0003","90","","94.112","0.001","90","","4119.26","0.12","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H43 B Cl3 F4 N3 P2 Ru -","- C41 H43 B Cl3 F4 N3 P2 Ru -","- C164 H172 B4 Cl12 F16 N12 P8 Ru4 -","4","1","","Mola, Joaquim; Rodríguez, Montserrat; Romero, Isabel; Llobet, Antoni; Parella, Teodor; Poater, Albert; Duran, Miquel; Solà, Miquel; Benet-Buchholz, Jordi","New Ru Complexes Containing the N-Tridentate bpea and Phosphine Ligands: Consequences of Meridional vs Facial Geometry","Inorganic Chemistry","2006","45","26","10520","10529","10.1021/ic061126l","","","0.71073","MoKα","","0.0612","0.0428","","","0.1092","0.1189","","","","","","1.023","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332952","9.8333","0.0004","17.9544","0.0007","33.2513","0.0014","90","","91.633","0.002","90","","5868.2","0.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl2 N3 P Ru -","- C32 H32 Cl2 N3 P Ru -","- C256 H256 Cl16 N24 P8 Ru8 -","8","2","","Mola, Joaquim; Rodríguez, Montserrat; Romero, Isabel; Llobet, Antoni; Parella, Teodor; Poater, Albert; Duran, Miquel; Solà, Miquel; Benet-Buchholz, Jordi","New Ru Complexes Containing the N-Tridentate bpea and Phosphine Ligands: Consequences of Meridional vs Facial Geometry","Inorganic Chemistry","2006","45","26","10520","10529","10.1021/ic061126l","","","0.71073","MoKα","","0.0616","0.043","","","0.0916","0.0994","","","","","","1.065","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332953","10.515","0.0002","9.619","0.0002","13.677","0.0003","90","","94.116","0.0008","90","","1379.78","0.05","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Cl In N2 S2 -","- C8 H20 Cl In N2 S2 -","- C32 H80 Cl4 In4 N8 S8 -","4","1","","Briand, Glen G.; Cooper, Benjamin F. T.; MacDonald, David B. S.; Martin, Caleb D.; Schatte, Gabriele","Preferred Bonding Motif for Indium Aminoethanethiolate Complexes: Structural Characterization of (Me2NCH2CH2S)2InX/SR (X = Cl, I; R = 4-MeC6H4, 4-MeOC6H4)","Inorganic Chemistry","2006","45","20","8423","8429","10.1021/ic061132h","","","0.71073","MoKα","","0.0411","0.039","","","0.0954","0.0966","","","","","","1.183","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332954","10.864","0.0003","9.686","0.0003","17.247","0.0003","90","","126.348","0.0014","90","","1461.76","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 I In N2 S2 -","- C8 H20 I In N2 S2 -","- C32 H80 I4 In4 N8 S8 -","4","1","","Briand, Glen G.; Cooper, Benjamin F. T.; MacDonald, David B. S.; Martin, Caleb D.; Schatte, Gabriele","Preferred Bonding Motif for Indium Aminoethanethiolate Complexes: Structural Characterization of (Me2NCH2CH2S)2InX/SR (X = Cl, I; R = 4-MeC6H4, 4-MeOC6H4)","Inorganic Chemistry","2006","45","20","8423","8429","10.1021/ic061132h","","","0.71073","MoKα","","0.0468","0.0304","","","0.0627","0.0703","","","","","","1.065","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332955","7.4499","0.0003","10.2419","0.0005","13.1509","0.0006","92.147","0.003","104.192","0.003","95.171","0.003","967","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H27 In N2 S3 -","- C15 H27 In N2 S3 -","- C30 H54 In2 N4 S6 -","2","1","","Briand, Glen G.; Cooper, Benjamin F. T.; MacDonald, David B. S.; Martin, Caleb D.; Schatte, Gabriele","Preferred Bonding Motif for Indium Aminoethanethiolate Complexes: Structural Characterization of (Me2NCH2CH2S)2InX/SR (X = Cl, I; R = 4-MeC6H4, 4-MeOC6H4)","Inorganic Chemistry","2006","45","20","8423","8429","10.1021/ic061132h","","","0.71073","MoKα","","0.0604","0.0517","","","0.1173","0.123","","","","","","1.099","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332956","7.1598","0.0001","8.784","0.0001","31.3428","0.0003","90","","90","","90","","1971.2","0.04","173","2","173","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C15 H27 In N2 O S3 -","- C15 H27 In N2 O S3 -","- C60 H108 In4 N8 O4 S12 -","4","1","","Briand, Glen G.; Cooper, Benjamin F. T.; MacDonald, David B. S.; Martin, Caleb D.; Schatte, Gabriele","Preferred Bonding Motif for Indium Aminoethanethiolate Complexes: Structural Characterization of (Me2NCH2CH2S)2InX/SR (X = Cl, I; R = 4-MeC6H4, 4-MeOC6H4)","Inorganic Chemistry","2006","45","20","8423","8429","10.1021/ic061132h","","","0.71073","MoKα","","0.0428","0.0359","","","0.0854","0.0885","","","","","","1.07","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332957","13.7016","0.0005","16.5293","0.0005","24.8523","0.001","89.805","0.002","86.047","0.002","84.39","0.002","5588.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H192 Cu4 N4 O12 -","- C104 H186 Cu4 N4 O11 -","- C208 H372 Cu8 N8 O22 -","2","1","","Shakya, Rajendra; Keyes, Paul H.; Heeg, Mary Jane; Moussawel, Azzam; Heiney, Paul A.; Verani, Claudio N.","Thermotropic Mesomorphism of Soft Materials Bearing Carboxylate-Supported μ4-Oxo Tetracupric Clusters","Inorganic Chemistry","2006","45","19","7587","7589","10.1021/ic061136m","","","0.71073","MoKα","","0.1017","0.0531","","","0.1319","0.1465","","","","","","0.986","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332958","8.4113","0.0009","15.8194","0.0017","14.5418","0.0014","90","","96.051","0.004","90","","1924.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cu4 N8 S8 W2 -","- C28 H28 Cu4 N8 S8 W2 -","- C56 H56 Cu8 N16 S16 W4 -","2","0.5","","Song, Li; Li, Jianrong; Lin, Ping; Li, Zhihua; Li, Tao; Du, Shaowu; Wu, Xintao","Synthesis and Crystal Structures of Multidimensional Coordination Polymers Based on W/Cu/S Clusters with Flexible Imidazole Ligands","Inorganic Chemistry","2006","45","25","10155","10161","10.1021/ic061142i","","","0.71073","MoKα","","","0.0445","","","0.0892","0.0945","","","","","","1.142","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332959","12.2328","0.0005","25.3056","0.0011","17.4975","0.0008","90","","92.616","0.002","90","","5410.9","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H45 Cu4 N15 O0 S6 W -","- C46 H45 Cu4 N15 S6 W -","- C184 H180 Cu16 N60 S24 W4 -","4","1","","Song, Li; Li, Jianrong; Lin, Ping; Li, Zhihua; Li, Tao; Du, Shaowu; Wu, Xintao","Synthesis and Crystal Structures of Multidimensional Coordination Polymers Based on W/Cu/S Clusters with Flexible Imidazole Ligands","Inorganic Chemistry","2006","45","25","10155","10161","10.1021/ic061142i","","","0.71073","MoKα","","","0.0326","","","0.0628","0.0644","","","","","","1.156","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4332960","25.503","0.002","11.0317","0.0006","19.611","0.0016","90","","119.076","0.002","90","","4822.1","0.6","293.15","","293.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 Cu2 N5 O S4 W -","- C17 H17 Cu2 N5 O S4 W -","- C136 H136 Cu16 N40 O8 S32 W8 -","8","1","","Song, Li; Li, Jianrong; Lin, Ping; Li, Zhihua; Li, Tao; Du, Shaowu; Wu, Xintao","Synthesis and Crystal Structures of Multidimensional Coordination Polymers Based on W/Cu/S Clusters with Flexible Imidazole Ligands","Inorganic Chemistry","2006","45","25","10155","10161","10.1021/ic061142i","","","0.71073","MoKα","","0.0364","0.0305","","","0.0721","0.0753","","","","","","1.043","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332961","5.5001","0.0005","22.689","0.002","17.252","0.0015","90","","93.429","0.005","90","","2149.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cu3 N5 S4 W -","- C15 H14 Cu3 N5 S4 W -","- C60 H56 Cu12 N20 S16 W4 -","4","1","","Song, Li; Li, Jianrong; Lin, Ping; Li, Zhihua; Li, Tao; Du, Shaowu; Wu, Xintao","Synthesis and Crystal Structures of Multidimensional Coordination Polymers Based on W/Cu/S Clusters with Flexible Imidazole Ligands","Inorganic Chemistry","2006","45","25","10155","10161","10.1021/ic061142i","","","0.71073","MoKα","","","0.0556","","","0.096","0.1053","","","","","","1.127","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332962","10.566","0.003","12.616","0.004","17.495","0.006","71.369","0.006","87.414","0.01","77.259","0.009","2154.7","1.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H35 Cu3 I N9 O4 S3 W -","- C31 H35 Cu3 I N9 O4 S3 W -","- C62 H70 Cu6 I2 N18 O8 S6 W2 -","2","1","","Song, Li; Li, Jianrong; Lin, Ping; Li, Zhihua; Li, Tao; Du, Shaowu; Wu, Xintao","Synthesis and Crystal Structures of Multidimensional Coordination Polymers Based on W/Cu/S Clusters with Flexible Imidazole Ligands","Inorganic Chemistry","2006","45","25","10155","10161","10.1021/ic061142i","","","0.71073","MoKα","","","0.0543","","","0.1069","0.1176","","","","","","1.092","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332963","11.3657","0.0008","7.7206","0.0006","24.7787","0.0018","90","","90","","90","","2174.3","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-picolyl)-4-nitroaniline","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C96 H88 N24 O16 -","8","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","SHG Active Crystals of a Remote Functionalized Achiral NLO-phore Assembled through Zinc(II) Complexation","Inorganic Chemistry","2006","45","24","9758","9764","10.1021/ic061145v","","","0.71073","MoKα","","0.0696","0.0586","","","0.1394","0.147","","","","","","1.082","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332964","4.5747","0.0018","10.194","0.004","12.037","0.005","90","","99.73","0.006","90","","553.3","0.4","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","N-(4-picolyl)-4-nitroaniline","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C24 H22 N6 O4 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","SHG Active Crystals of a Remote Functionalized Achiral NLO-phore Assembled through Zinc(II) Complexation","Inorganic Chemistry","2006","45","24","9758","9764","10.1021/ic061145v","","","0.71073","MoKα","","0.0831","0.0692","","","0.1598","0.1676","","","","","","1.172","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332965","10.406","0.004","10.387","0.004","14.203","0.006","90","","108.928","0.006","90","","1452.2","1","298","2","298","2","","","","","","","","5","P 1 n 1","P -2yac","7","","N-(4-picolyl)-4-nitroaniline - Zinc(II) acetate","","- C28 H28 N6 O8 Zn -","- C28 H28 N6 O8 Zn -","- C56 H56 N12 O16 Zn2 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","SHG Active Crystals of a Remote Functionalized Achiral NLO-phore Assembled through Zinc(II) Complexation","Inorganic Chemistry","2006","45","24","9758","9764","10.1021/ic061145v","","","0.71073","MoKα","","0.0848","0.0486","","","0.0649","0.0701","","","","","","0.933","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332966","13.6852","0.0009","16.1279","0.0011","13.7491","0.0009","90","","90","","90","","3034.6","0.3","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","N-(4-picolyl)-4-nitroaniline - Zinc(II) propionate","","- C30 H32 N6 O8 Zn -","- C30 H32 N6 O8 Zn -","- C120 H128 N24 O32 Zn4 -","4","0.5","","Prakash, M. Jaya; Radhakrishnan, T. P.","SHG Active Crystals of a Remote Functionalized Achiral NLO-phore Assembled through Zinc(II) Complexation","Inorganic Chemistry","2006","45","24","9758","9764","10.1021/ic061145v","","","0.71073","MoKα","","0.0492","0.0407","","","0.0915","0.0951","","","","","","1.085","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332967","11.6936","0.0006","14.7813","0.0007","16.4159","0.0008","77.827","0.002","84.375","0.002","82.585","0.002","2743.1","0.2","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H128 Ni2 O60 S8 Se8 W6 -","- C56 Ni2 O60 S8 Se8 W6 -","- C56 Ni2 O60 S8 Se8 W6 -","1","0.5","","Hernández-Molina, Rita; Sokolov, Maxim N.; Clausen, Maria; Clegg, William","Synthesis and Structure of Nickel-Containing Cuboidal Clusters Derived from [W3Se4(H2O)9]4+. Site-Differentiated Substitution at the Nickel Site in the Series [W3NiQ4(H2O)10]4+(Q = S, Se)","Inorganic Chemistry","2006","45","26","10567","10575","10.1021/ic061146n","","","0.71073","MoKα","","0.0373","0.0332","","","0.0805","0.0819","","","","","","1.077","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332968","12.3438","0.0006","12.5011","0.0006","24.4502","0.0011","100.095","0.002","90.307","0.002","95.425","0.002","3697","0.3","160","2","160","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H81 As Cl4 N24 Ni O24 S4 W3 -","- C36 As Cl4 N24 Ni O36 S4 W3 -","- C72 As2 Cl8 N48 Ni2 O72 S8 W6 -","2","1","","Hernández-Molina, Rita; Sokolov, Maxim N.; Clausen, Maria; Clegg, William","Synthesis and Structure of Nickel-Containing Cuboidal Clusters Derived from [W3Se4(H2O)9]4+. Site-Differentiated Substitution at the Nickel Site in the Series [W3NiQ4(H2O)10]4+(Q = S, Se)","Inorganic Chemistry","2006","45","26","10567","10575","10.1021/ic061146n","","","0.71073","MoKα","","0.0798","0.0674","","","0.1497","0.1542","","","","","","1.258","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332969","8.4197","0.001","17.955","0.002","9.4017","0.0011","90","","98.648","0.002","90","","1405.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,5-bis(4-pyridyl)-1-H-pyrazole","","","- C13 H16 N4 O3 -","- C13 H16 N4 O3 -","- C52 H64 N16 O12 -","4","1","","Zhan, Shun-Ze; Li, Dan; Zhou, Xiao-Ping; Zhou, Xin-Hui","Two Polyknotted Topological Isomers of Copper(I) 3,5-Bis(4-pyridyl)pyrazolates","Inorganic Chemistry","2006","45","23","9163","9165","10.1021/ic061152j","","","0.71073","MoKα","","0.0565","0.0477","","","0.1169","0.1227","","","","","","1.048","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332970","12.1693","0.0011","17.5849","0.0013","21.0965","0.0017","69.87","0.004","78.14","0.004","82.865","0.005","4141.3","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C93 H110 N4 O5 -","- C93 H110 N4 O5 -","- C186 H220 N8 O10 -","2","1","","Hill, Jonathan P.; Schumacher, Amy Lea; D'Souza, Francis; Labuta, Jan; Redshaw, Carl; Elsegood, Mark R. J.; Aoyagi, Masaru; Nakanishi, Takashi; Ariga, Katsuhiko","Chromogenic Indicator for Anion Reporting Based on an N-Substituted Oxoporphyrinogen","Inorganic Chemistry","2006","45","20","8288","8296","10.1021/ic0611591","","","0.71073","MoKα","","0.1985","0.1173","","","0.1555","0.1795","","","","","","1.118","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332971","13.2098","0.0002","4.06725","0.00004","28.3909","0.0003","90","","94.6427","0.0003","90","","1520.37","0.03","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Fe0.47 In17.37 Pb8.04 Se34 -","- Fe0.464 In17.366 Pb8.04 Se34 -","- Fe0.464 In17.366 Pb8.04 Se34 -","1","0.25","","Matsushita, Yoshitaka; Sugiyama, Kazumasa; Ueda, Yutaka","Stabilization by a Divalent Transition Metal in Lead Indium Quaternary Selenide, Fe0.47Pb8.04In17.37Se34, and Specific Indium Coordination","Inorganic Chemistry","2006","45","17","6598","6600","10.1021/ic0611600","","","0.71069","MoKα","","0.0651","0.0299","","","0.058","0.0717","","","","","","0.821","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332972","13.831","0.0002","13.831","0.0002","9.848","0.0002","90","","90","","90","","1883.89","0.05","295","2","295","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C32 H16 B F24 Na O2 -","- C32 H12 B F24 Na O2 -","- C64 H24 B2 F48 Na2 O4 -","2","0.25","","Chang, Chi-Tsing; Chen, Chuan-Lin; Liu, Yi-Hong; Peng, Shie-Ming; Chou, Pi-Tai; Liu, Shiuh-Tzung","Coordination of Fluoro Ligands toward Sodium Ions Makes the Difference: Aqua Sodium Ions Act as Brønsted Acids in Polymerization of Vinyl Ethers and Styrenes","Inorganic Chemistry","2006","45","19","7590","7592","10.1021/ic061162k","","","0.71073","MoKα","","0.0834","0.0677","","0.2479","0.2162","","","","1.05","1.085","1.085","","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4332973","20.634","0.002","15.9296","0.0012","36.048","0.003","90","","90.508","0.005","90","","11848.2","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63.5 H84 Fe N2 S4 -","- C63.5 H83.5455 Fe N2 S4 -","- C508 H668.364 Fe8 N16 S32 -","8","2","","Patra, Apurba K.; Bill, Eckhard; Bothe, Eberhard; Chlopek, Krzysztof; Neese, Frank; Weyhermüller, Thomas; Stobie, Keira; Ward, Michael D.; McCleverty, Jon A.; Wieghardt, Karl","Electronic Structure of Mononuclear Bis(1,2-diaryl-1,2-ethylenedithiolato)iron Complexes Containing a Fifth Cyanide or Phosphite Ligand: A Combined Experimental and Computational Study","Inorganic Chemistry","2006","45","19","7877","7890","10.1021/ic061171t","","","0.71073","MoKα","","0.115","0.0865","","","0.1479","0.1598","","","","","","1.173","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332974","11.0782","0.0019","13.382","0.004","14.845","0.004","105.02","0.03","91.495","0.018","107.803","0.019","2010.5","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H35 Fe O3 P S4 -","- C46 H35 Fe O3 P S4 -","- C92 H70 Fe2 O6 P2 S8 -","2","1","","Patra, Apurba K.; Bill, Eckhard; Bothe, Eberhard; Chlopek, Krzysztof; Neese, Frank; Weyhermüller, Thomas; Stobie, Keira; Ward, Michael D.; McCleverty, Jon A.; Wieghardt, Karl","Electronic Structure of Mononuclear Bis(1,2-diaryl-1,2-ethylenedithiolato)iron Complexes Containing a Fifth Cyanide or Phosphite Ligand: A Combined Experimental and Computational Study","Inorganic Chemistry","2006","45","19","7877","7890","10.1021/ic061171t","","","0.71073","MoKα","","0.1165","0.0459","","","0.0866","0.1078","","","","","","0.988","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332975","14.379","0.011","8.779","0.007","15.889","0.012","90","","97.811","0.007","90","","1987","3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Cl2 Ir N2 O S -","- C20 H21 Cl2 Ir N2 O S -","- C80 H84 Cl8 Ir4 N8 O4 S4 -","4","1","","Wilkinson, Andrew J.; Puschmann, Horst; Howard, Judith A. K.; Foster, Clive E.; Williams, J. A. Gareth","Luminescent Complexes of Iridium(III) Containing N∧C∧N-Coordinating Terdentate Ligands","Inorganic Chemistry","2006","45","21","8685","8699","10.1021/ic061172l","","","0.71073","MoKα","","0.0309","0.0237","","","0.048","0.0496","","","","","","1.085","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332976","8.0896","0.0017","12.179","0.002","20.433","0.003","90","","90","","90","","2013.1","0.6","293","2","293","2","","","","","","","","4","P m n b","-P 2bc 2a","62","","","","- C9 H20 Gd2 O19 -","- C9 H6 Gd2 O19 -","- C36 H24 Gd8 O76 -","4","0.5","","Cañadillas-Delgado, Laura; Pasán, Jorge; Fabelo, Oscar; Hernández-Molina, María; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Two- and Three-Dimensional Networks of Gadolinium(III) with Dicarboxylate Ligands: Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2006","45","26","10585","10594","10.1021/ic061173d","","x-ray","0.71073","MoKα","","0.0893","0.0562","","","0.1306","0.1431","","","","","","1.021","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332977","11.0319","0.0018","12.254","0.002","13.453","0.002","90","","91.85","0.003","90","","1817.7","0.5","173","2","293","2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C9 H18 Gd2 O18 -","- C9 H18 Gd2 O18 -","- C36 H72 Gd8 O72 -","4","1","","Cañadillas-Delgado, Laura; Pasán, Jorge; Fabelo, Oscar; Hernández-Molina, María; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Two- and Three-Dimensional Networks of Gadolinium(III) with Dicarboxylate Ligands: Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2006","45","26","10585","10594","10.1021/ic061173d","","x-ray","0.71069","MoKα","","0.0291","0.0271","","","0.0619","0.0623","","","","","","0.916","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4332978","12.1012","0.0007","12.2827","0.001","12.6578","0.0005","90","","90","","90","","1881.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Gd Na O10 -","- C5 H6 Gd Na O10 -","- C40 H48 Gd8 Na8 O80 -","8","1","","Cañadillas-Delgado, Laura; Pasán, Jorge; Fabelo, Oscar; Hernández-Molina, María; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Two- and Three-Dimensional Networks of Gadolinium(III) with Dicarboxylate Ligands: Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2006","45","26","10585","10594","10.1021/ic061173d","","x-ray","0.71073","MoKα","","0.0725","0.0328","","","0.0442","0.0494","","","","","","1.031","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332979","10.0549","0.0004","9.6066","0.0003","11.0306","0.0006","90","","114.097","0.004","90","","972.63","0.08","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H20 Gd2 O21 -","- C6 Gd2 O20.5 -","- C12 Gd4 O41 -","2","0.5","","Cañadillas-Delgado, Laura; Pasán, Jorge; Fabelo, Oscar; Hernández-Molina, María; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Two- and Three-Dimensional Networks of Gadolinium(III) with Dicarboxylate Ligands: Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2006","45","26","10585","10594","10.1021/ic061173d","","x-ray","0.71073","MoKα","","0.0621","0.0348","","","0.0803","0.0932","","","","","","0.795","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332980","15.568","0.0009","16.6502","0.0012","16.9719","0.0009","90","","115.53","0.003","90","","3969.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H120 Fe2 N24 Ni2 O5 -","- C60 H110 Fe2 N24 Ni2 O5 -","- C120 H220 Fe4 N48 Ni4 O10 -","2","0.5","","Rodríguez-Diéguez, Antonio; Kivekäs, Raikko; Sillanpää, Reijo; Cano, Joan; Lloret, Francesc; McKee, Vickie; Stoeckli-Evans, Helen; Colacio, Enrique","Structural and Magnetic Diversity in Cyano-Bridged Bi- and Trimetallic Complexes Assembled from Cyanometalates and [M(rac-CTH)]n+Building Blocks (CTH =d,l-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)","Inorganic Chemistry","2006","45","26","10537","10551","10.1021/ic061187j","","x-ray","0.71073","Mokα","","0.1777","0.0858","","","0.209","0.2423","","","","","","1.067","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4332981","14.348","0.0008","15.0301","0.0008","21.5086","0.0011","77.5615","0.0011","83.7558","0.0012","64.1686","0.001","4076.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H116 Cr2 N24 Ni3 O4 -","- C60 H108 Cr2 N24 Ni3 O4 -","- C120 H216 Cr4 N48 Ni6 O8 -","2","1","","Rodríguez-Diéguez, Antonio; Kivekäs, Raikko; Sillanpää, Reijo; Cano, Joan; Lloret, Francesc; McKee, Vickie; Stoeckli-Evans, Helen; Colacio, Enrique","Structural and Magnetic Diversity in Cyano-Bridged Bi- and Trimetallic Complexes Assembled from Cyanometalates and [M(rac-CTH)]n+Building Blocks (CTH =d,l-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)","Inorganic Chemistry","2006","45","26","10537","10551","10.1021/ic061187j","","","0.71073","MoKα","","0.2536","0.1122","","","0.2634","0.3203","","","","","","0.963","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332982","25.461","0.005","14.16","0.003","22.41","0.005","90","","110.385","0.003","90","","7573","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H108 Cu Fe2 N24 Ni2 O6 -","- C54 H96 Cu Fe2 N24 Ni2 O6 -","- C216 H384 Cu4 Fe8 N96 Ni8 O24 -","4","0.5","","Rodríguez-Diéguez, Antonio; Kivekäs, Raikko; Sillanpää, Reijo; Cano, Joan; Lloret, Francesc; McKee, Vickie; Stoeckli-Evans, Helen; Colacio, Enrique","Structural and Magnetic Diversity in Cyano-Bridged Bi- and Trimetallic Complexes Assembled from Cyanometalates and [M(rac-CTH)]n+Building Blocks (CTH =d,l-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)","Inorganic Chemistry","2006","45","26","10537","10551","10.1021/ic061187j","","","0.71073","MoKα","","0.0904","0.0526","","","0.1406","0.1555","","","","","","1.004","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332983","17.2075","0.0003","12.4775","0.0002","21.4744","0.0004","90","","96.9634","0.0007","90","","4576.69","0.14","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H106 Cl4 Fe2 N20 Ni2 O17 -","- C76 H104 Cl4 Fe2 N20 Ni2 O17 -","- C152 H208 Cl8 Fe4 N40 Ni4 O34 -","2","0.5","","Rodríguez-Diéguez, Antonio; Kivekäs, Raikko; Sillanpää, Reijo; Cano, Joan; Lloret, Francesc; McKee, Vickie; Stoeckli-Evans, Helen; Colacio, Enrique","Structural and Magnetic Diversity in Cyano-Bridged Bi- and Trimetallic Complexes Assembled from Cyanometalates and [M(rac-CTH)]n+Building Blocks (CTH =d,l-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)","Inorganic Chemistry","2006","45","26","10537","10551","10.1021/ic061187j","","x-ray","0.71073","Mokα","","0.085","0.0542","","","0.1241","0.1395","","","","","","1.012","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4332984","32.841","0.004","16.888","0.002","15.647","0.002","90","","98.237","0.002","90","","8588.6","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H112 Cu3 Fe2 N24 O2 -","- C60 H98 Cu3 Fe2 N24 O2 -","- C240 H392 Cu12 Fe8 N96 O8 -","4","0.5","","Rodríguez-Diéguez, Antonio; Kivekäs, Raikko; Sillanpää, Reijo; Cano, Joan; Lloret, Francesc; McKee, Vickie; Stoeckli-Evans, Helen; Colacio, Enrique","Structural and Magnetic Diversity in Cyano-Bridged Bi- and Trimetallic Complexes Assembled from Cyanometalates and [M(rac-CTH)]n+Building Blocks (CTH =d,l-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)","Inorganic Chemistry","2006","45","26","10537","10551","10.1021/ic061187j","","","0.71073","MoKα","","0.1075","0.0736","","","0.1943","0.2146","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332985","8.8834","0.001","19.1585","0.0013","17.3895","0.0019","90","","101.047","0.004","90","","2904.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 Cr Fe N10 O3 -","- C22 H40 Cr Fe N10 O3 -","- C88 H160 Cr4 Fe4 N40 O12 -","4","1","","Rodríguez-Diéguez, Antonio; Kivekäs, Raikko; Sillanpää, Reijo; Cano, Joan; Lloret, Francesc; McKee, Vickie; Stoeckli-Evans, Helen; Colacio, Enrique","Structural and Magnetic Diversity in Cyano-Bridged Bi- and Trimetallic Complexes Assembled from Cyanometalates and [M(rac-CTH)]n+Building Blocks (CTH =d,l-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)","Inorganic Chemistry","2006","45","26","10537","10551","10.1021/ic061187j","","x-ray","0.71073","Mokα","","0.2393","0.0793","","","0.1305","0.1728","","","","","","0.944","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332986","8.7784","0.0008","33.112","0.003","9.7326","0.0009","90","","96.357","0.002","90","","2811.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H82 Cu3 Fe2 N24 O5 -","- C42 H60 Cu3 Fe2 N24 O5 -","- C84 H120 Cu6 Fe4 N48 O10 -","2","0.5","","Rodríguez-Diéguez, Antonio; Kivekäs, Raikko; Sillanpää, Reijo; Cano, Joan; Lloret, Francesc; McKee, Vickie; Stoeckli-Evans, Helen; Colacio, Enrique","Structural and Magnetic Diversity in Cyano-Bridged Bi- and Trimetallic Complexes Assembled from Cyanometalates and [M(rac-CTH)]n+Building Blocks (CTH =d,l-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)","Inorganic Chemistry","2006","45","26","10537","10551","10.1021/ic061187j","","","0.71073","MoKα","","0.0552","0.0461","","","0.1136","0.1187","","","","","","1.036","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332987","13.2035","0.0004","7.2634","0.0002","7.1458","0.0002","90","","90","","90","","685.3","0.03","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Mo2 O8 Sn2 -","- C4 H12 Mo2 O8 Sn2 -","- C8 H24 Mo4 O16 Sn4 -","2","0.25","","Reinoso, Santiago; Dickman, Michael H.; Reicke, Markus; Kortz, Ulrich","Hybrid Organic−Inorganic Assemblies Based on Molybdates and Dimethyltin Linkers","Inorganic Chemistry","2006","45","22","9014","9019","10.1021/ic061191v","","","0.71073","MoKα","","0.0677","0.0412","","","0.0907","0.1037","","","","","","1.002","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332988","8.233","0.0001","11.4033","0.0002","12.1529","0.0002","90","","91.566","0.001","90","","1140.53","0.03","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 Mo3 O20 Sn -","- C8 H24 Mo2 O10 Sn4 -","- C16 H48 Mo4 O20 Sn8 -","2","0.5","","Reinoso, Santiago; Dickman, Michael H.; Reicke, Markus; Kortz, Ulrich","Hybrid Organic−Inorganic Assemblies Based on Molybdates and Dimethyltin Linkers","Inorganic Chemistry","2006","45","22","9014","9019","10.1021/ic061191v","","","0.71073","MoKα","","0.0425","0.0269","","","0.0671","0.0788","","","","","","1.139","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332989","6.5594","0.0004","14.2465","0.0011","11.3892","0.0008","90","","90","","90","","1064.3","0.13","173","2","173","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C2 H12 Mo2 O10 Sn -","- C2 H6 Mo2 O10 Sn -","- C8 H24 Mo8 O40 Sn4 -","4","0.5","","Reinoso, Santiago; Dickman, Michael H.; Reicke, Markus; Kortz, Ulrich","Hybrid Organic−Inorganic Assemblies Based on Molybdates and Dimethyltin Linkers","Inorganic Chemistry","2006","45","22","9014","9019","10.1021/ic061191v","","","0.71073","MoKα","","0.0377","0.03","","","0.0773","0.0824","","","","","","1.116","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332990","7.9109","0.0005","9.1244","0.0007","15.7401","0.0009","79.837","0.005","84.125","0.005","81.073","0.005","1101.49","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 Bi Mo -","- C26 H29 Bi Mo -","- C52 H58 Bi2 Mo2 -","2","1","","Roggan, Stefan; Limberg, Christian; Ziemer, Burkhard; Siemons, Maike; Simon, Ulrich","Reactivity and Properties of [−O−BiIII...OMo−]nChains","Inorganic Chemistry","2006","45","22","9020","9031","10.1021/ic061198c","","","0.71073","MoKα","","0.0309","0.0274","","","0.0451","0.0458","","","","","","1.194","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332991","21.013","0.004","16.391","0.003","4.14","0.0005","90","","90","","90","","1425.9","0.4","180","2","180","2","","","","","","","","4","C m 2 a","C -2a -2a","39","","","","- C15 H17 Bi O -","- C15 H17 Bi O -","- C60 H68 Bi4 O4 -","4","","","Roggan, Stefan; Limberg, Christian; Ziemer, Burkhard; Siemons, Maike; Simon, Ulrich","Reactivity and Properties of [−O−BiIII...OMo−]nChains","Inorganic Chemistry","2006","45","22","9020","9031","10.1021/ic061198c","","","0.71073","MoKα","","0.0222","0.0215","","","0.0528","0.0532","","","","","","1.08","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4332992","13.8069","0.0007","8.4987","0.0006","21.1668","0.001","90","","90","","90","","2483.7","0.2","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 Bi O -","- C14 H15 Bi O -","- C112 H120 Bi8 O8 -","8","1","","Roggan, Stefan; Limberg, Christian; Ziemer, Burkhard; Siemons, Maike; Simon, Ulrich","Reactivity and Properties of [−O−BiIII...OMo−]nChains","Inorganic Chemistry","2006","45","22","9020","9031","10.1021/ic061198c","","","0.71073","MoKα","","0.048","0.0278","","","0.0456","0.0494","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332993","21.305","0.002","11.459","0.0011","32.481","0.003","90","","115.455","0.006","90","","7159.9","1.2","150","","150","","","","","","","","L.Matteau LM137B","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 N6.88 O2.25 Zn -","- C36 H45 N6.875 O2.25 Zn -","- C288 H360 N55 O18 Zn8 -","8","2","","Metteau, Laurent; Parsons, Simon; Mareque-Rivas, Juan C.","Hydrogen Bonding Cavities Regulating Redox Behavior and Binding of Metal-Bound Ligands","Inorganic Chemistry","2006","45","17","6601","6603","10.1021/ic0612193","","","0.71073","MoKα","","0.1355","0.1","","0.0856","0.0782","0.0782","","","","","","1.0869","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332994","13.6309","0.0011","11.5596","0.0007","16.6061","0.0012","90","","96.355","0.006","90","","2600.5","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H71 Mo2 N2 Ni O21.5 -","- C40 H60 Mo2 N2 Ni O21.25 -","- C80 H120 Mo4 N4 Ni2 O42.5 -","2","1","","Khatua, Snehadrinarayan; Stoeckli-Evans, Helen; Harada, Takunori; Kuroda, Reiko; Bhattacharjee, Manish","Helicity Induction through Hydrogen Bonding and Spontaneous Resolution of a Bimetallic Nickel Complex Coordinated to an Octahedral Metalloligand","Inorganic Chemistry","2006","45","24","9619","9621","10.1021/ic061226r","","","0.71073","MoKα","","0.0639","0.0519","","","0.1239","0.1323","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332995","13.699","0.002","11.691","0.002","16.783","0.003","90","","96.635","0.012","90","","2669.9","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H71 Mo2 N2 Ni O21.5 -","- C40 H60 Mo2 N2 Ni O21.5 -","- C80 H120 Mo4 N4 Ni2 O43 -","2","1","","Khatua, Snehadrinarayan; Stoeckli-Evans, Helen; Harada, Takunori; Kuroda, Reiko; Bhattacharjee, Manish","Helicity Induction through Hydrogen Bonding and Spontaneous Resolution of a Bimetallic Nickel Complex Coordinated to an Octahedral Metalloligand","Inorganic Chemistry","2006","45","24","9619","9621","10.1021/ic061226r","","","0.71073","MoKα","","0.069","0.0502","","","0.1319","0.147","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332996","13.045","0.005","9.655","0.003","18.462","0.006","90","","106.892","0.004","90","","2225","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O9 Zn1.5 -","- C18 H22 N2 O9 Zn1.5 -","- C72 H88 N8 O36 Zn6 -","4","1","","Sun, Jinyu; Zhou, Yaming; Fang, Qianrong; Chen, Zhenxia; Weng, Linhong; Zhu, Guangshan; Qiu, Shilun; Zhao, Dongyuan","Construction of 3D Layer-Pillared Homoligand Coordination Polymers from a 2D Layered Precursor","Inorganic Chemistry","2006","45","21","8677","8684","10.1021/ic0612303","","","0.71073","MoKα","","0.0456","0.0344","","","0.0853","0.0915","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332997","26.299","0.007","9.998","0.003","18.376","0.005","90","","123.555","0.003","90","","4027","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 N4 O16 Zn3 -","- C40 H36 N4 O16 Zn3 -","- C160 H144 N16 O64 Zn12 -","4","0.5","","Sun, Jinyu; Zhou, Yaming; Fang, Qianrong; Chen, Zhenxia; Weng, Linhong; Zhu, Guangshan; Qiu, Shilun; Zhao, Dongyuan","Construction of 3D Layer-Pillared Homoligand Coordination Polymers from a 2D Layered Precursor","Inorganic Chemistry","2006","45","21","8677","8684","10.1021/ic0612303","","","0.71073","MoKα","","0.0767","0.0661","","","0.1867","0.196","","","","","","1.071","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332998","33.237","0.012","9.719","0.004","18.423","0.007","90","","90.538","0.005","90","","5951","4","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 O16 Zn3 -","- C32 H16 O16 Zn3 -","- C128 H64 O64 Zn12 -","4","0.5","","Sun, Jinyu; Zhou, Yaming; Fang, Qianrong; Chen, Zhenxia; Weng, Linhong; Zhu, Guangshan; Qiu, Shilun; Zhao, Dongyuan","Construction of 3D Layer-Pillared Homoligand Coordination Polymers from a 2D Layered Precursor","Inorganic Chemistry","2006","45","21","8677","8684","10.1021/ic0612303","","","0.71073","MoKα","","0.0917","0.0668","","","0.1787","0.1882","","","","","","1.026","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332999","8.091","0.009","8.98","0.01","10.786","0.012","96.802","0.014","90.398","0.017","109.199","0.014","734","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Ag2 N12 O6 -","- C28 H22 Ag2 N12 O6 -","- C28 H22 Ag2 N12 O6 -","1","0.5","","Chi, Ying-Nan; Huang, Kun-Lin; Cui, Feng-Yun; Xu, Yan-Qing; Hu, Chang-Wen","Structural Diversity of Silver(I) 4,6-Dipyridyl-2-Aminopyrimidine Complexes: Effect of Counteranions and Ligand Isomerism","Inorganic Chemistry","2006","45","26","10605","10612","10.1021/ic061231v","","","0.71073","MoKα","","0.0865","0.0633","","","0.1893","0.2343","","","","","","1.016","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4333000","15.531","0.002","13.37","0.002","17.639","0.003","90","","90","","90","","3662.7","1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 F6 N10 O6 S2 -","- C30 H22 Ag2 F6 N10 O6 S2 -","- C120 H88 Ag8 F24 N40 O24 S8 -","4","0.5","","Chi, Ying-Nan; Huang, Kun-Lin; Cui, Feng-Yun; Xu, Yan-Qing; Hu, Chang-Wen","Structural Diversity of Silver(I) 4,6-Dipyridyl-2-Aminopyrimidine Complexes: Effect of Counteranions and Ligand Isomerism","Inorganic Chemistry","2006","45","26","10605","10612","10.1021/ic061231v","","","0.71073","MoKα","","0.0639","0.0429","","","0.1063","0.1251","","","","","","1.084","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333001","11.2715","0.0019","19.707","0.003","14.105","0.002","90","","109.619","0.002","90","","2951.2","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Ag2 N12 O7 -","- C28 H24 Ag2 N12 O7 -","- C112 H96 Ag8 N48 O28 -","4","0.5","","Chi, Ying-Nan; Huang, Kun-Lin; Cui, Feng-Yun; Xu, Yan-Qing; Hu, Chang-Wen","Structural Diversity of Silver(I) 4,6-Dipyridyl-2-Aminopyrimidine Complexes: Effect of Counteranions and Ligand Isomerism","Inorganic Chemistry","2006","45","26","10605","10612","10.1021/ic061231v","","","0.71073","MoKα","","0.0467","0.0324","","","0.0697","0.0762","","","","","","1.078","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333002","4.006","0.005","11.815","0.015","21.03","0.03","90","","93.53","0.02","90","","993","2","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H13 Ag2 N7 O S2 -","- C16 H13 Ag2 N7 O S2 -","- C32 H26 Ag4 N14 O2 S4 -","2","0.5","","Chi, Ying-Nan; Huang, Kun-Lin; Cui, Feng-Yun; Xu, Yan-Qing; Hu, Chang-Wen","Structural Diversity of Silver(I) 4,6-Dipyridyl-2-Aminopyrimidine Complexes: Effect of Counteranions and Ligand Isomerism","Inorganic Chemistry","2006","45","26","10605","10612","10.1021/ic061231v","","","0.71073","MoKα","","0.1472","0.0743","","","0.1685","0.2044","","","","","","0.974","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333003","6.2497","0.0013","9.7754","0.0019","8.3621","0.0014","90","","108.911","0.009","90","","483.29","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H11 I N2 -","- C7 H11 I N2 -","- C14 H22 I2 N4 -","2","1","","Fei, Zhaofu; Kuang, Daibin; Zhao, Dongbin; Klein, Cedric; Ang, Wee Han; Zakeeruddin, Shaik M.; Grätzel, Michael; Dyson, Paul J.","A Supercooled Imidazolium Iodide Ionic Liquid as a Low-Viscosity Electrolyte for Dye-Sensitized Solar Cells","Inorganic Chemistry","2006","45","26","10407","10409","10.1021/ic061232n","","","0.71073","MoKα","","0.0207","0.0183","","","0.0385","0.0396","","","","","","1.067","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333004","8.5957","0.0014","9.8637","0.0015","12.232","0.002","90","","90","","90","","1037.1","0.3","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 I N2 -","- C8 H13 I N2 -","- C32 H52 I4 N8 -","4","1","","Fei, Zhaofu; Kuang, Daibin; Zhao, Dongbin; Klein, Cedric; Ang, Wee Han; Zakeeruddin, Shaik M.; Grätzel, Michael; Dyson, Paul J.","A Supercooled Imidazolium Iodide Ionic Liquid as a Low-Viscosity Electrolyte for Dye-Sensitized Solar Cells","Inorganic Chemistry","2006","45","26","10407","10409","10.1021/ic061232n","","","0.71073","MoKα","","0.0589","0.0517","","","0.1121","0.1151","","","","","","1.031","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333005","9.3702","0.0008","11.1295","0.001","12.3296","0.0013","72.026","0.009","73.529","0.008","82.548","0.007","1171.6","0.2","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H15 I N2 -","- C9 H15 I N2 -","- C36 H60 I4 N8 -","4","2","","Fei, Zhaofu; Kuang, Daibin; Zhao, Dongbin; Klein, Cedric; Ang, Wee Han; Zakeeruddin, Shaik M.; Grätzel, Michael; Dyson, Paul J.","A Supercooled Imidazolium Iodide Ionic Liquid as a Low-Viscosity Electrolyte for Dye-Sensitized Solar Cells","Inorganic Chemistry","2006","45","26","10407","10409","10.1021/ic061232n","","","0.71073","MoKα","","0.0361","0.0316","","","0.0866","0.0897","","","","","","1.013","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333006","12.5757","0.0004","10.2031","0.0002","15.6864","0.0004","90","","113.661","0.001","90","","1843.54","0.08","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H25 Cl N2 Ni O2 -","- C17.5 H25 Cl N2 Ni O2 -","- C70 H100 Cl4 N8 Ni4 O8 -","4","1","","Dible, Benjamin R.; Sigman, Matthew S.","Steric Effects in the Aerobic Oxidation of π-Allylnickel(II) Complexes withN-Heterocyclic Carbenes","Inorganic Chemistry","2006","45","20","8430","8441","10.1021/ic0612451","","","0.71073","MoKα","","0.0543","0.0398","","","0.0971","0.1057","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333007","10.9968","0.0003","9.6424","0.0003","14.3616","0.0002","90","","90","","90","","1522.84","0.07","150","1","150","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl N2 Ni -","- C14 H25 Cl N2 Ni -","- C56 H100 Cl4 N8 Ni4 -","4","1","","Dible, Benjamin R.; Sigman, Matthew S.","Steric Effects in the Aerobic Oxidation of π-Allylnickel(II) Complexes withN-Heterocyclic Carbenes","Inorganic Chemistry","2006","45","20","8430","8441","10.1021/ic0612451","","","0.71073","MoKα","","0.0279","0.024","","","0.0521","0.0539","","","","","","1.054","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333008","10.0381","0.0002","12.4276","0.0003","13.204","0.0005","91.5563","0.0012","111.478","0.0016","102.877","0.0016","1483.49","0.08","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Cl2 N4 Ni -","- C34 H32 Cl2 N4 Ni -","- C68 H64 Cl4 N8 Ni2 -","2","1","","Dible, Benjamin R.; Sigman, Matthew S.","Steric Effects in the Aerobic Oxidation of π-Allylnickel(II) Complexes withN-Heterocyclic Carbenes","Inorganic Chemistry","2006","45","20","8430","8441","10.1021/ic0612451","","","0.71073","MoKα","","0.0685","0.0449","","","0.1028","0.1201","","","","","","1.027","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333009","8.9469","0.0003","11.6836","0.0003","13.5112","0.0004","90","","107.259","0.0013","90","","1348.76","0.07","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 I N2 Ni -","- C11 H19 I N2 Ni -","- C44 H76 I4 N8 Ni4 -","4","1","","Dible, Benjamin R.; Sigman, Matthew S.","Steric Effects in the Aerobic Oxidation of π-Allylnickel(II) Complexes withN-Heterocyclic Carbenes","Inorganic Chemistry","2006","45","20","8430","8441","10.1021/ic0612451","","","0.71073","MoKα","","0.0467","0.0375","","","0.0957","0.1017","","","","","","1.058","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333010","11.9827","0.001","15.1199","0.0013","16.5604","0.0014","107.981","0.001","99.352","0.001","112.471","0.001","2499.3","0.4","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Fe4 N2 O10 P2 S4 -","- C48 Fe4 N2 O10 P2 S4 -","- C96 Fe8 N4 O20 P4 S8 -","2","1","","Gao, Weiming; Liu, Jianhui; Åkermark, Björn; Sun, Licheng","Bidentate Phosphine Ligand Based Fe2S2-Containing Macromolecules: Synthesis, Characterization, and Catalytic Electrochemical Hydrogen Production","Inorganic Chemistry","2006","45","23","9169","9171","10.1021/ic061258e","","","0.71073","MoKα","","0.0684","0.0536","","","0.1653","0.1772","","","","","","1.047","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333011","10.462","0.006","10.834","0.006","19.288","0.01","102.468","0.007","94.613","0.007","108.869","0.007","1993","1.9","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H52 Fe8 N4 O24 P2 S8 -","- C60 Fe8 N4 O24 P2 S8 -","- C60 Fe8 N4 O24 P2 S8 -","1","0.5","","Gao, Weiming; Liu, Jianhui; Åkermark, Björn; Sun, Licheng","Bidentate Phosphine Ligand Based Fe2S2-Containing Macromolecules: Synthesis, Characterization, and Catalytic Electrochemical Hydrogen Production","Inorganic Chemistry","2006","45","23","9169","9171","10.1021/ic061258e","","","0.71073","MoKα","","0.0934","0.0614","","","0.1909","0.215","","","","","","1.054","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333012","8.4927","0.0001","17.2736","0.0002","13.006","0.0001","90","","103.685","0.0006","90","","1853.81","0.03","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Sp)-2-(diphenylphosphino)ferrocenecarboxaldehyde","","- C23 H19 Fe O P -","- C23 H19 Fe O P -","- C92 H76 Fe4 O4 P4 -","4","2","","Štěpnička, Petr; Císařová, Ivana","Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines","Inorganic Chemistry","2006","45","21","8785","8798","10.1021/ic061278g","","","0.71073","MoKα","","0.0256","0.0243","","","0.0584","0.0594","","","","","","1.042","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333013","10.5452","0.0002","12.9788","0.0002","13.8939","0.0002","90","","90","","90","","1901.58","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Sp)-2-(diphenylphosphino)-1-vinylferrocene","","- C24 H21 Fe P -","- C24 H21 Fe P -","- C96 H84 Fe4 P4 -","4","1","","Štěpnička, Petr; Císařová, Ivana","Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines","Inorganic Chemistry","2006","45","21","8785","8798","10.1021/ic061278g","","","0.71073","MoKα","","0.0238","0.0222","","","0.0532","0.0541","","","","","","1.06","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333014","9.0782","0.0002","14.3355","0.0002","12.4391","0.0002","90","","105.508","0.001","90","","1559.89","0.05","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33 H33 Cl Fe N O4 P Pd -","- C33 H33 Cl Fe N O4 P Pd -","- C66 H66 Cl2 Fe2 N2 O8 P2 Pd2 -","2","1","","Štěpnička, Petr; Císařová, Ivana","Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines","Inorganic Chemistry","2006","45","21","8785","8798","10.1021/ic061278g","","","0.71073","MoKα","","0.0305","0.0265","","","0.0558","0.0576","","","","","","1.048","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333015","10.017","0.0001","11.4879","0.0002","21.2688","0.0004","90","","90","","90","","2447.49","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Fe O4 P W -","- C28 H21 Fe O4 P W -","- C112 H84 Fe4 O16 P4 W4 -","4","1","","Štěpnička, Petr; Císařová, Ivana","Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines","Inorganic Chemistry","2006","45","21","8785","8798","10.1021/ic061278g","","","0.71073","MoKα","","0.0258","0.0227","","","0.0481","0.0495","","","","","","1.085","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333016","12.915","0.001","13.742","0.002","34.841","0.001","90","","90","","90","","6183.5","1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H25 Fe O5 P W -","- C35 H25 Fe O5 P W -","- C280 H200 Fe8 O40 P8 W8 -","8","2","","Štěpnička, Petr; Císařová, Ivana","Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines","Inorganic Chemistry","2006","45","21","8785","8798","10.1021/ic061278g","","","0.71073","MoKα","","0.0399","0.0265","","","0.0462","0.0476","","","","","","0.988","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333017","10.7034","0.0004","10.7034","0.0004","46.411","0.002","90","","90","","90","","5317","0.4","150","2","150","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C29 H23 Fe O4 P W -","- C29 H23 Fe O4 P W -","- C232 H184 Fe8 O32 P8 W8 -","8","1","","Štěpnička, Petr; Císařová, Ivana","Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines","Inorganic Chemistry","2006","45","21","8785","8798","10.1021/ic061278g","","","0.71073","MoKα","","0.0444","0.0267","","","0.048","0.0492","","","","","","0.907","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333018","9.0837","0.0014","8.6975","0.0013","15.876","0.002","90","","97.064","0.003","90","","1244.8","0.3","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H38 Cl4 O2 Os2 -","- C20 H38 Cl4 O2 Os2 -","- C40 H76 Cl8 O4 Os4 -","2","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique","Preparation and Characterization of Novel Os−Diolefin Dimers: New Entry to Os−Cyclooctadiene Complexes","Inorganic Chemistry","2006","45","25","10162","10171","10.1021/ic0612799","","","0.71073","MoKα","","0.0449","0.0394","","","0.0831","0.0848","","","","","","0.961","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333019","10.868","0.0015","15.263","0.002","16.438","0.002","90","","90.322","0.002","90","","2726.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 Cl4 Os2 -","- C28 H37 Cl4 Os2 -","- C112 H148 Cl16 Os8 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique","Preparation and Characterization of Novel Os−Diolefin Dimers: New Entry to Os−Cyclooctadiene Complexes","Inorganic Chemistry","2006","45","25","10162","10171","10.1021/ic0612799","","","0.71073","MoKα","","0.0478","0.034","","","0.0599","0.0631","","","","","","0.958","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333020","17.941","0.003","12.671","0.002","16.64","0.003","90","","90","","90","","3782.8","1.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H66 Cl3 N Os2 -","- C37 H66 Cl3 N Os2 -","- C148 H264 Cl12 N4 Os8 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique","Preparation and Characterization of Novel Os−Diolefin Dimers: New Entry to Os−Cyclooctadiene Complexes","Inorganic Chemistry","2006","45","25","10162","10171","10.1021/ic0612799","","","0.71073","MoKα","","0.0471","0.0327","","","0.0434","0.0457","","","","","","0.816","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333021","39.752","0.004","11.0636","0.0012","19.758","0.002","90","","90","","90","","8689.6","1.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H77 Cl3 Ir N Os2 -","- C45 H41 Cl3 Ir N Os2 -","- C360 H328 Cl24 Ir8 N8 Os16 -","8","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique","Preparation and Characterization of Novel Os−Diolefin Dimers: New Entry to Os−Cyclooctadiene Complexes","Inorganic Chemistry","2006","45","25","10162","10171","10.1021/ic0612799","","","0.71073","MoKα","","0.0871","0.0542","","","0.1155","0.1245","","","","","","1.028","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333022","4.8153","0.0004","13.7892","0.0011","14.0641","0.0011","90","","90","","90","","933.84","0.13","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 Cl Cu N2 O -","- C8 H10 Cl Cu N2 O -","- C32 H40 Cl4 Cu4 N8 O4 -","4","1","","Yang, Lei; Houser, Robert P.","Copper(I) Coordination Chemistry of (Pyridylmethyl)amide Ligands","Inorganic Chemistry","2006","45","23","9416","9422","10.1021/ic0612810","","","0.71073","MoKα","","0.018","0.0179","","","0.0474","0.0475","","","","","","0.972","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333023","13.738","0.006","9.126","0.004","15.083","0.006","90","","113.643","0.007","90","","1732.3","1.3","87","2","87","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 Cu2 N8 O4 -","- C32 H40 Cl2 Cu2 N8 O4 -","- C64 H80 Cl4 Cu4 N16 O8 -","2","0.5","","Yang, Lei; Houser, Robert P.","Copper(I) Coordination Chemistry of (Pyridylmethyl)amide Ligands","Inorganic Chemistry","2006","45","23","9416","9422","10.1021/ic0612810","","","0.71073","MoKα","","0.0223","0.0221","","","0.0615","0.0617","","","","","","1.023","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333024","8.9143","0.0016","9.5821","0.0016","13.346","0.002","83.872","0.005","80.222","0.005","72.218","0.005","1067.9","0.3","87","2","87","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H44 Cl2 Cu2 N4 O2 -","- C52 H44 Cl2 Cu2 N4 O2 -","- C52 H44 Cl2 Cu2 N4 O2 -","1","0.5","","Yang, Lei; Houser, Robert P.","Copper(I) Coordination Chemistry of (Pyridylmethyl)amide Ligands","Inorganic Chemistry","2006","45","23","9416","9422","10.1021/ic0612810","","","0.71073","MoKα","","0.0303","0.0295","","","0.0849","0.0855","","","","","","1.003","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333025","11.162","0.003","7.3381","0.0016","15.441","0.003","90","","107.754","0.005","90","","1204.5","0.5","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C22 H32 Cl Cu N4 O2 -","- C22 H32 Cl Cu N4 O2 -","- C44 H64 Cl2 Cu2 N8 O4 -","2","0.5","","Yang, Lei; Houser, Robert P.","Copper(I) Coordination Chemistry of (Pyridylmethyl)amide Ligands","Inorganic Chemistry","2006","45","23","9416","9422","10.1021/ic0612810","","","0.71073","MoKα","","0.031","0.03","","","0.0791","0.0799","","","","","","1.001","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333026","7.866","0.006","9.909","0.007","11.743","0.008","65.319","0.01","89.036","0.011","81.856","0.011","822.4","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 N2 O Pt S -","- C20 H16 N2 O Pt S -","- C40 H32 N4 O2 Pt2 S2 -","2","1","","Shavaleev, Nail M.; Adams, Harry; Best, Jonathan; Edge, Ruth; Navaratnam, Suppiah; Weinstein, Julia A.","Deep-Red Luminescence and Efficient Singlet Oxygen Generation by Cyclometalated Platinum(II) Complexes with 8-Hydroxyquinolines and Quinoline-8-thiol","Inorganic Chemistry","2006","45","23","9410","9415","10.1021/ic061283k","","","0.71073","MoKα","","0.0621","0.0462","","","0.0981","0.1026","","","","","","0.968","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333027","9.3802","0.0014","7.6678","0.0012","20.661","0.003","90","","90.746","0.002","90","","1485.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O Pt -","- C20 H14 N2 O Pt -","- C80 H56 N8 O4 Pt4 -","4","1","","Shavaleev, Nail M.; Adams, Harry; Best, Jonathan; Edge, Ruth; Navaratnam, Suppiah; Weinstein, Julia A.","Deep-Red Luminescence and Efficient Singlet Oxygen Generation by Cyclometalated Platinum(II) Complexes with 8-Hydroxyquinolines and Quinoline-8-thiol","Inorganic Chemistry","2006","45","23","9410","9415","10.1021/ic061283k","","","0.71073","MoKα","","0.0349","0.0255","","","0.0611","0.0651","","","","","","1.056","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333028","9.0504","0.0009","9.3633","0.0009","11.0494","0.0011","99.431","0.002","96.608","0.002","109.814","0.002","854.19","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O Pt -","- C20 H22 N2 O Pt -","- C40 H44 N4 O2 Pt2 -","2","1","","Shavaleev, Nail M.; Adams, Harry; Best, Jonathan; Edge, Ruth; Navaratnam, Suppiah; Weinstein, Julia A.","Deep-Red Luminescence and Efficient Singlet Oxygen Generation by Cyclometalated Platinum(II) Complexes with 8-Hydroxyquinolines and Quinoline-8-thiol","Inorganic Chemistry","2006","45","23","9410","9415","10.1021/ic061283k","","","0.71073","MoKα","","0.0385","0.0355","","","0.0883","0.09","","","","","","1.026","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333029","9.2269","0.0015","12.51","0.002","16.952","0.003","83.535","0.003","82.322","0.004","70.485","0.003","1823","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H50 N4 O -","- C44 H50 N4 O -","- C88 H100 N8 O2 -","2","1","","Champouret, Yohan D. M.; Fawcett, John; Nodes, William J.; Singh, Kuldip; Solan, Gregory A.","Spacially Confined M2Centers (M = Fe, Co, Ni, Zn) on a Sterically Bulky Binucleating Support: Synthesis, Structures and Ethylene Oligomerization Studies","Inorganic Chemistry","2006","45","24","9890","9900","10.1021/ic061286x","","","0.71073","MoKα","","0.1516","0.0724","","","0.1277","0.1531","","","","","","0.936","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4333030","43.915","0.007","8.3993","0.0014","26.11","0.004","90","","90.7","0.003","90","","9630","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H54.5 Br4 N5.5 Ni2 -","- C47 H54.5 Br4 N5.5 Ni2 -","- C376 H436 Br32 N44 Ni16 -","8","1","","Champouret, Yohan D. M.; Fawcett, John; Nodes, William J.; Singh, Kuldip; Solan, Gregory A.","Spacially Confined M2Centers (M = Fe, Co, Ni, Zn) on a Sterically Bulky Binucleating Support: Synthesis, Structures and Ethylene Oligomerization Studies","Inorganic Chemistry","2006","45","24","9890","9900","10.1021/ic061286x","","","0.71073","MoKα","","0.0965","0.0508","","","0.0854","0.0957","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333031","13.6891","0.0019","34.633","0.005","10.2467","0.0014","90","","107.021","0.003","90","","4645.1","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 Br3 Cl3 N4 Ni2 O -","- C45 H50 Br3 Cl3 N4 Ni2 O -","- C180 H200 Br12 Cl12 N16 Ni8 O4 -","4","1","","Champouret, Yohan D. M.; Fawcett, John; Nodes, William J.; Singh, Kuldip; Solan, Gregory A.","Spacially Confined M2Centers (M = Fe, Co, Ni, Zn) on a Sterically Bulky Binucleating Support: Synthesis, Structures and Ethylene Oligomerization Studies","Inorganic Chemistry","2006","45","24","9890","9900","10.1021/ic061286x","","","0.71073","MoKα","","0.0913","0.0525","","","0.0901","0.0997","","","","","","0.943","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4333032","13.267","0.003","14.1","0.003","16.802","0.004","65.587","0.004","78.435","0.004","66.968","0.004","2631.1","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62 Br3 N8 Ni2 O1.5 -","- C52 H61 Br3 N8 Ni2 O1.5 -","- C104 H122 Br6 N16 Ni4 O3 -","2","1","","Champouret, Yohan D. M.; Fawcett, John; Nodes, William J.; Singh, Kuldip; Solan, Gregory A.","Spacially Confined M2Centers (M = Fe, Co, Ni, Zn) on a Sterically Bulky Binucleating Support: Synthesis, Structures and Ethylene Oligomerization Studies","Inorganic Chemistry","2006","45","24","9890","9900","10.1021/ic061286x","","","0.71073","MoKα","","0.0847","0.0465","","","0.0916","0.0992","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333033","12.1071","0.0019","13.864","0.002","14.704","0.002","80.68","0.003","76.3","0.003","75.191","0.002","2304.7","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H52 Cl3 N5 O Zn2 -","- C46 H52 Cl3 N5 O Zn2 -","- C92 H104 Cl6 N10 O2 Zn4 -","2","1","","Champouret, Yohan D. M.; Fawcett, John; Nodes, William J.; Singh, Kuldip; Solan, Gregory A.","Spacially Confined M2Centers (M = Fe, Co, Ni, Zn) on a Sterically Bulky Binucleating Support: Synthesis, Structures and Ethylene Oligomerization Studies","Inorganic Chemistry","2006","45","24","9890","9900","10.1021/ic061286x","","","0.71073","MoKα","","0.0824","0.0586","","","0.1512","0.1636","","","","","","1.048","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333034","7.9905","0.0012","8.6809","0.0013","8.7788","0.0013","115.54","0.002","101.868","0.002","96.133","0.002","524.35","0.14","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 N4 O16 Pr2 -","- C14 H14 N4 O16 Pr2 -","- C14 H14 N4 O16 Pr2 -","1","0.5","","Li, Bing; Gu, Wen; Zhang, Li-Zhi; Qu, Jie; Ma, Zhen-Ping; Liu, Xin; Liao, Dai-Zheng","[Ln2(C2O4)2(pyzc)2(H2O)2]n[Ln = Pr (1), Er (2)]: Novel Two-Dimensional Lanthanide Coordination Polymers with 2-Pyrazinecarboxylate and Oxalate","Inorganic Chemistry","2006","45","26","10425","10427","10.1021/ic061287p","","","0.71073","MoKα","","0.0268","0.0259","","","0.0653","0.066","","","","","","1.073","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333035","7.967","0.002","8.67","0.002","8.763","0.002","115.521","0.004","101.985","0.003","96.267","0.003","520.6","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Er2 N4 O16 -","- C14 H14 Er2 N4 O16 -","- C14 H14 Er2 N4 O16 -","1","0.5","","Li, Bing; Gu, Wen; Zhang, Li-Zhi; Qu, Jie; Ma, Zhen-Ping; Liu, Xin; Liao, Dai-Zheng","[Ln2(C2O4)2(pyzc)2(H2O)2]n[Ln = Pr (1), Er (2)]: Novel Two-Dimensional Lanthanide Coordination Polymers with 2-Pyrazinecarboxylate and Oxalate","Inorganic Chemistry","2006","45","26","10425","10427","10.1021/ic061287p","","","0.71073","MoKα","","0.0281","0.0268","","","0.0755","0.0762","","","","","","1.129","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333036","9.2962","0.0017","8.9052","0.0017","21.031","0.003","90","","92.144","0.013","90","","1739.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cu N2 O8 P2 -","- C14 H14 Cu N2 O8 P2 -","- C56 H56 Cu4 N8 O32 P8 -","4","1","","Murugavel, Ramaswamy; Singh, Mayank Pratap","Novel Layered Copper Phosphoramidate, Which Contains Six-Membered Rings Made of Five Different Elements","Inorganic Chemistry","2006","45","23","9154","9156","10.1021/ic061298i","","","0.71073","MoKα","","0.0545","0.0324","","","0.0787","0.0821","","","","","","0.966","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333037","16.9045","0.0008","13.6895","0.0007","12.7028","0.0006","90","","93.774","0.001","90","","2933.2","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H8 F6 N8 O8 Os3 -","- C24 H8 F5.97 N8 O8 Os3 -","- C96 H32 F23.88 N32 O32 Os12 -","4","1","","Hsu, Fang-Chi; Tung, Yung-Liang; Chi, Yun; Hsu, Cheng-Chih; Cheng, Yi-Ming; Ho, Mei-Lin; Chou, Pi-Tai; Peng, Shie-Ming; Carty, Arthur J.","En Route to the Formation of High-Efficiency, Osmium(II)-Based Phosphorescent Materials","Inorganic Chemistry","2006","45","25","10188","10196","10.1021/ic061301y","","","0.71073","MoKα","","0.0425","0.0329","","","0.0679","0.0716","","","","","","1.027","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333038","11.145","0.0005","32.2482","0.0014","9.5374","0.0004","90","","90.061","0.001","90","","3427.8","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 F3 N4 O Os P2 -","- C35 H31 F3 N4 O Os P2 -","- C140 H124 F12 N16 O4 Os4 P8 -","4","1","","Hsu, Fang-Chi; Tung, Yung-Liang; Chi, Yun; Hsu, Cheng-Chih; Cheng, Yi-Ming; Ho, Mei-Lin; Chou, Pi-Tai; Peng, Shie-Ming; Carty, Arthur J.","En Route to the Formation of High-Efficiency, Osmium(II)-Based Phosphorescent Materials","Inorganic Chemistry","2006","45","25","10188","10196","10.1021/ic061301y","","","0.71073","MoKα","","0.0703","0.0562","","","0.1035","0.1083","","","","","","1.189","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333039","10.253","0.0004","15.8852","0.0006","20.9409","0.0008","90","","90.366","0.001","90","","3410.6","0.2","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H32 Cl F3 N4 O Os P2 -","- C35.5 H32 Cl F3 N4 O Os P2 -","- C142 H128 Cl4 F12 N16 O4 Os4 P8 -","4","1","","Hsu, Fang-Chi; Tung, Yung-Liang; Chi, Yun; Hsu, Cheng-Chih; Cheng, Yi-Ming; Ho, Mei-Lin; Chou, Pi-Tai; Peng, Shie-Ming; Carty, Arthur J.","En Route to the Formation of High-Efficiency, Osmium(II)-Based Phosphorescent Materials","Inorganic Chemistry","2006","45","25","10188","10196","10.1021/ic061301y","","","0.71073","MoKα","","0.0491","0.0364","","","0.0773","0.0823","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333041","27.6803","0.0003","16.4134","0.0003","21.0446","0.0004","90","","122.801","0.002","90","","8036.7","0.3","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H75 Cl0.6 Fe9 N3.4 O19.6 -","- C75 H75 Cl0.6 Fe9 N3.4 O19.6 -","- C300 H300 Cl2.4 Fe36 N13.6 O78.4 -","4","0.5","","Mereacre, Valeriu; Nakano, Motohiro; Gómez-Segura, Jordi; Imaz, Inhar; Sporer, Christian; Wurst, Klaus; Veciana, Jaume; Turta, Constantin; Ruiz-Molina, Daniel; Jaitner, Peter","A New Hexaferrocene Complex with a [M3(μ3-O)]7+Core","Inorganic Chemistry","2006","45","26","10443","10445","10.1021/ic061322s","","","0.71073","MoKα","","0.0675","0.0471","","","0.1274","0.1374","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4333042","14.5784","0.0016","14.8856","0.0013","16.3402","0.0017","93.572","0.002","111.018","0.003","103.289","0.004","3180.3","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H51 La2 N8 O17.5 P2 S2 -","- C60 H40 La2 N8 O17.5 P2 S2 -","- C120 H80 La4 N16 O35 P4 S4 -","2","1","","Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao","Rational Design of 0D, 1D, and 3D Open Frameworks Based on Tetranuclear Lanthanide(III) Sulfonate−Phosphonate Clusters","Inorganic Chemistry","2006","45","24","9780","9788","10.1021/ic0613255","","","0.71073","MoKα","","0.083","0.0642","","","0.1584","0.1721","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333043","12.2591","0.0001","14.4243","0.0002","15.5038","0.0001","112.633","0.001","107.991","0.001","98.39","0.001","2294.59","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 N4 Nd2 O20 P2 S2 -","- C36 H24 N4 Nd2 O20.5 P2 S2 -","- C72 H48 N8 Nd4 O41 P4 S4 -","2","1","","Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao","Rational Design of 0D, 1D, and 3D Open Frameworks Based on Tetranuclear Lanthanide(III) Sulfonate−Phosphonate Clusters","Inorganic Chemistry","2006","45","24","9780","9788","10.1021/ic0613255","","","0.71073","MoKα","","0.0693","0.0573","","","0.1169","0.1253","","","","","","1.102","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333044","12.2312","0.0002","14.38","0.0003","15.476","0.0002","112.52","0.01","108.277","0.001","98.294","0.001","2276.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 Eu2 N4 O20 P2 S2 -","- C36 H24 Eu2 N4 O20 P2 S2 -","- C72 H48 Eu4 N8 O40 P4 S4 -","2","1","","Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao","Rational Design of 0D, 1D, and 3D Open Frameworks Based on Tetranuclear Lanthanide(III) Sulfonate−Phosphonate Clusters","Inorganic Chemistry","2006","45","24","9780","9788","10.1021/ic0613255","","","0.71073","MoKα","","0.0605","0.049","","","0.1017","0.1089","","","","","","1.087","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333045","12.174","0.003","14.274","0.004","15.326","0.004","112.356","0.001","108.382","0.002","98.416","0.002","2227.2","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 Er2 N4 O20 P2 S2 -","- C36 H24 Er2 N4 O20 P2 S2 -","- C72 H48 Er4 N8 O40 P4 S4 -","2","1","","Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao","Rational Design of 0D, 1D, and 3D Open Frameworks Based on Tetranuclear Lanthanide(III) Sulfonate−Phosphonate Clusters","Inorganic Chemistry","2006","45","24","9780","9788","10.1021/ic0613255","","","0.71073","MoKα","","0.0504","0.0409","","","0.0985","0.1077","","","","","","1.074","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333046","14.4085","0.0001","18.9382","0.0003","17.0522","0.0001","90","","101.696","0.001","90","","4556.44","0.08","293","2","293","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C18 H57 La2 N4 O30 P5 S -","- C18 H32 La2 N4 O30 P5 S -","- C72 H128 La8 N16 O120 P20 S4 -","4","0.5","","Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao","Rational Design of 0D, 1D, and 3D Open Frameworks Based on Tetranuclear Lanthanide(III) Sulfonate−Phosphonate Clusters","Inorganic Chemistry","2006","45","24","9780","9788","10.1021/ic0613255","","","0.71073","MoKα","","0.0967","0.0672","","","0.1244","0.1365","","","","","","1.193","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333047","14.303","0.002","18.7159","0.0011","17.0511","0.0011","90","","102.118","0.002","90","","4462.8","0.7","293","2","293","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C18 H57 N4 Nd2 O30 P5 S -","- C18 H32 N4 Nd2 O30 P5 S -","- C72 H128 N16 Nd8 O120 P20 S4 -","4","0.5","","Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao","Rational Design of 0D, 1D, and 3D Open Frameworks Based on Tetranuclear Lanthanide(III) Sulfonate−Phosphonate Clusters","Inorganic Chemistry","2006","45","24","9780","9788","10.1021/ic0613255","","","0.71073","MoKα","","0.063","0.0554","","","0.1291","0.1352","","","","","","1.117","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333048","13.2614","0.0012","15.2201","0.0011","18.8693","0.0017","81.046","0.01","77.249","0.011","69.81","0.009","3473.2","0.6","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H143 K8 N11 O8 S8 -","- C133.94 H142.82 K8 N11 O8 S8 -","- C133.94 H142.82 K8 N11 O8 S8 -","1","0.5","","Zeller, Jürgen; Radius, Udo","Alkali-Metalated Forms of Thiacalix[4]arenes","Inorganic Chemistry","2006","45","23","9487","9492","10.1021/ic0613311","","","0.56085","AgKα","","0.0981","0.0552","","","0.1262","0.1447","","","","","","1.01","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333049","13.4487","0.0019","13.4487","0.0019","18.57","0.004","90","","90","","90","","3358.7","1","203","2","203","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C64 H77 Li5 O11 S4 -","- C64 H77 Li5 O11 S4 -","- C128 H154 Li10 O22 S8 -","2","0.25","","Zeller, Jürgen; Radius, Udo","Alkali-Metalated Forms of Thiacalix[4]arenes","Inorganic Chemistry","2006","45","23","9487","9492","10.1021/ic0613311","","","0.56085","AgKα","","0.094","0.0595","","","0.148","0.1688","","","","","","1.069","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333050","14.513","0.003","15.335","0.003","17.759","0.004","104.62","0.03","101.38","0.03","110.04","0.03","3413.3","1.8","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H72 N6 Na4 O4 S4 -","- C70 H72 N6 Na4 O4 S4 -","- C140 H144 N12 Na8 O8 S8 -","2","1","","Zeller, Jürgen; Radius, Udo","Alkali-Metalated Forms of Thiacalix[4]arenes","Inorganic Chemistry","2006","45","23","9487","9492","10.1021/ic0613311","","","0.71073","MoKα","","0.0966","0.0772","","","0.1855","0.2011","","","","","","0.998","","","","has coordinates,has disorder","286259","2023-09-07","06:04:45",""
"4333051","15.9564","0.0013","16.5066","0.0014","20.5637","0.0017","110.824","0.002","110.666","0.002","95.156","0.002","4590.8","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H77 Mn7 N8 O25 -","- C90 H77 Mn7 N8 O25 -","- C180 H154 Mn14 N16 O50 -","2","1","","Mishra, Abhudaya; Wernsdorfer, Wolfgang; Abboud, Khalil A.; Christou, George","[Mn7O5(OR)2(O2CPh)9(terpy)] (R = Me, CH2Ph) Complexes with a Fused Cubane/Butterfly Core and anS= 6 Ground-State Spin","Inorganic Chemistry","2006","45","25","10197","10206","10.1021/ic061334d","","","0.71073","MoKα","","0.0915","0.0423","","","0.0871","0.098","","","","","","0.864","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333052","27.695","0.002","22.43","0.002","30.293","0.003","90","","90","","90","","18818","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C102 H85 Mn7 N8 O25 -","- C92 H70 Mn7 N3 O25 -","- C736 H560 Mn56 N24 O200 -","8","1","","Mishra, Abhudaya; Wernsdorfer, Wolfgang; Abboud, Khalil A.; Christou, George","[Mn7O5(OR)2(O2CPh)9(terpy)] (R = Me, CH2Ph) Complexes with a Fused Cubane/Butterfly Core and anS= 6 Ground-State Spin","Inorganic Chemistry","2006","45","25","10197","10206","10.1021/ic061334d","","","0.71073","MoKα","","0.1211","0.0574","","","0.1221","0.1402","","","","","","0.876","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333053","10.44","0.002","10.54","0.002","15.47","0.003","109.85","0.03","100.43","0.03","98.65","0.03","1532.8","0.7","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","[Fe(OEP)(CO)]","","","- C37 H44 Fe N4 O -","- C37 H44 Fe N4 O -","- C74 H88 Fe2 N8 O2 -","2","1","","Silvernail, Nathan J.; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert","Coordination of Diatomic Ligands to Heme: Simply CO","Inorganic Chemistry","2006","45","18","7050","7052","10.1021/ic0613356","","","0.71073","MoKα","","0.0308","0.0285","","","0.0795","0.0815","","","","","","1.038","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333054","10.6217","0.0003","11.9368","0.0003","14.8297","0.0004","77.077","0.001","86.616","0.002","80.194","0.002","1805.42","0.08","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","[Fe(OEP)(CO)]","","","- C43 H50 Fe N4 O -","- C43 H50 Fe N4 O -","- C86 H100 Fe2 N8 O2 -","2","1","","Silvernail, Nathan J.; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert","Coordination of Diatomic Ligands to Heme: Simply CO","Inorganic Chemistry","2006","45","18","7050","7052","10.1021/ic0613356","","","0.71073","MoKα","","0.0486","0.0348","","","0.0843","0.0919","","","","","","1.045","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333055","30.009","","8.68","","19.796","","90","","99.65","","90","","5083.46","","293","","293","","","","","","","","?","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Mo2 O6 P -","- C26 H20 Mo2 O6 P -","- C208 H160 Mo16 O48 P8 -","8","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; Alonso, María; García, M. Esther; Rueda, M. Teresa; Ruiz, Miguel A.; Herson, Patrick","Trapping of Hemiquinone Radicals at Mo and P Sites by Phosphide-Bridged Dimolybdenum Species: Chemistry of Complexes [Mo2(η5-C5H5)2(OC6H4OH)(μ-PR2)(CO)4] and [Mo2(η5-C5H5)2{μ-PR(OC6H4OH)}(CO)4]-(R = Cy, Ph)","Inorganic Chemistry","2006","45","23","9593","9606","10.1021/ic061344e","","","0.71069","MoKα","","0.0825","0.0369","","0.0976","0.0444","0.0444","","","","","","1.0918","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333056","15.252","0.003","8.8714","0.0015","18.616","0.003","90","","90.517","0.003","90","","2518.8","0.8","200","","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 Mo2 O6 P -","- C24 H31 Mo2 O6 P -","- C96 H124 Mo8 O24 P4 -","4","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; Alonso, María; García, M. Esther; Rueda, M. Teresa; Ruiz, Miguel A.; Herson, Patrick","Trapping of Hemiquinone Radicals at Mo and P Sites by Phosphide-Bridged Dimolybdenum Species: Chemistry of Complexes [Mo2(η5-C5H5)2(OC6H4OH)(μ-PR2)(CO)4] and [Mo2(η5-C5H5)2{μ-PR(OC6H4OH)}(CO)4]-(R = Cy, Ph)","Inorganic Chemistry","2006","45","23","9593","9606","10.1021/ic061344e","","x-ray","0.71073","MoKα","","0.0549","0.035","","","0.0757","0.0814","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333057","8.1443","0.0012","9.2872","0.0014","15.368","0.002","85.33","0.002","76.4","0.002","82.699","0.002","1119","0.3","292","2","292","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C21 H25 Mo2 O5 P -","- C21 H25 Mo2 O5 P -","- C42 H50 Mo4 O10 P2 -","2","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; Alonso, María; García, M. Esther; Rueda, M. Teresa; Ruiz, Miguel A.; Herson, Patrick","Trapping of Hemiquinone Radicals at Mo and P Sites by Phosphide-Bridged Dimolybdenum Species: Chemistry of Complexes [Mo2(η5-C5H5)2(OC6H4OH)(μ-PR2)(CO)4] and [Mo2(η5-C5H5)2{μ-PR(OC6H4OH)}(CO)4]-(R = Cy, Ph)","Inorganic Chemistry","2006","45","23","9593","9606","10.1021/ic061344e","","x-ray","0.71073","MoKα","","0.0503","0.0295","","","0.063","0.072","","","","","","1.06","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333058","9.0903","0.0013","9.9522","0.0015","15.312","0.002","77.434","0.002","74.559","0.002","80.305","0.002","1294.3","0.3","292","2","292","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C26 H27 Mo2 O5 P -","- C26 H27 Mo2 O5 P -","- C52 H54 Mo4 O10 P2 -","2","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; Alonso, María; García, M. Esther; Rueda, M. Teresa; Ruiz, Miguel A.; Herson, Patrick","Trapping of Hemiquinone Radicals at Mo and P Sites by Phosphide-Bridged Dimolybdenum Species: Chemistry of Complexes [Mo2(η5-C5H5)2(OC6H4OH)(μ-PR2)(CO)4] and [Mo2(η5-C5H5)2{μ-PR(OC6H4OH)}(CO)4]-(R = Cy, Ph)","Inorganic Chemistry","2006","45","23","9593","9606","10.1021/ic061344e","","x-ray","0.71073","MoKα","","0.0237","0.0191","","","0.0511","0.0538","","","","","","1.112","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333059","13.0187","0.0009","13.6915","0.0009","16.7856","0.0011","90","","108.022","0.001","90","","2845.2","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 B4 Cu2 Fe2 N30 O2 -","- C42 H44 B4 Cu2 Fe2 N30 O2 -","- C84 H88 B8 Cu4 Fe4 N60 O4 -","2","0.5","","Liu, Wei; Wang, Cai-Feng; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Structural and Magnetic Studies on Cyano-Bridged Rectangular Fe2M2(M = Cu, Ni) Clusters","Inorganic Chemistry","2006","45","25","10058","10065","10.1021/ic061347r","","","0.71073","MoKα","","0.057","0.0439","","","0.0994","0.1034","","","","","","1.073","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333060","14.449","0.003","20.996","0.005","21.485","0.005","90","","100.115","0.004","90","","6417","3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 B2 Cu2 Fe2 N24 O8 -","- C48 H44 B2 Cu2 Fe2 N24 O8 -","- C192 H176 B8 Cu8 Fe8 N96 O32 -","4","0.5","","Liu, Wei; Wang, Cai-Feng; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Structural and Magnetic Studies on Cyano-Bridged Rectangular Fe2M2(M = Cu, Ni) Clusters","Inorganic Chemistry","2006","45","25","10058","10065","10.1021/ic061347r","","","0.71073","MoKα","","0.0794","0.0611","","","0.1398","0.1445","","","","","","1.312","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333061","9.784","0.003","10.908","0.004","15.208","0.005","109.989","0.008","90.076","0.009","93.338","0.007","1522.3","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H60 B2 Cl2 Fe2 N26 Ni2 O10 -","- C36 H60 B2 Cl2 Fe2 N26 Ni2 O10 -","- C36 H60 B2 Cl2 Fe2 N26 Ni2 O10 -","1","0.5","","Liu, Wei; Wang, Cai-Feng; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Structural and Magnetic Studies on Cyano-Bridged Rectangular Fe2M2(M = Cu, Ni) Clusters","Inorganic Chemistry","2006","45","25","10058","10065","10.1021/ic061347r","","","0.71073","MoKα","","0.0764","0.0566","","","0.1156","0.1217","","","","","","1.016","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333062","13.394","0.004","13.944","0.004","29.662","0.008","90","","97.863","0.005","90","","5488","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H84 B4 Fe4 N44 Ni2 O6 -","- C88 H84 B4 Fe4 N44 Ni2 O6 -","- C176 H168 B8 Fe8 N88 Ni4 O12 -","2","0.5","","Liu, Wei; Wang, Cai-Feng; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Structural and Magnetic Studies on Cyano-Bridged Rectangular Fe2M2(M = Cu, Ni) Clusters","Inorganic Chemistry","2006","45","25","10058","10065","10.1021/ic061347r","","","0.71073","MoKα","","0.0736","0.0422","","","0.0727","0.0773","","","","","","0.997","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333063","5.025","0.003","7.867","0.005","8.898","0.008","103.38","0.06","89.94","0.06","103.22","0.05","332.6","0.4","293","2","298","2","","","","","","","","5","P -1","-P 1","2","[Cd(Ac)(Hpz)2]n Polymorph alpha","catena bis-mu-acetate,bispyrazole cadmium(ii) triclinic polymorph","","- C10 H14 Cd N4 O4 -","- C5 H7 Cd0.5 N2 O2 -","- C10 H14 Cd N4 O4 -","2","1","","Masciocchi, Norberto; Galli, Simona; Alberti, Enrica; Sironi, Angelo; Di Nicola, Corrado; Pettinari, Claudio; Pandolfo, Luciano","Synthesis, Solid-State NMR, and X-ray Powder Diffraction Characterization of Group 12 Coordination Polymers, Including the First Example of a C-Mercuriated Pyrazole","Inorganic Chemistry","2006","45","22","9064","9074","10.1021/ic061349b","","","0.71073","MoKα","","0.0665","0.0611","","","0.1525","0.1565","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333064","10.089","0.001","11.347","0.001","11.533","0.001","111.56","0.01","105.25","0.01","103.71","0.01","1099.7","0.2","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cl3 Cu N3 O5 -","- C19 H18 Cl3 Cu N3 O5 -","- C38 H36 Cl6 Cu2 N6 O10 -","2","1","","Rigamonti, Luca; Demartin, Francesco; Forni, Alessandra; Righetto, Stefania; Pasini, Alessandro","Copper(II) Complexes of salen Analogues with Two Differently Substituted (Push−Pull) Salicylaldehyde Moieties. A Study on the Modulation of Electronic Asymmetry and Nonlinear Optical Properties","Inorganic Chemistry","2006","45","26","10976","10989","10.1021/ic0613513","","","0.71073","MoKα","","0.1439","0.0754","","","0.2156","0.2629","","","","","","1.018","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333065","17.093","0.003","7.873","0.0016","17.254","0.004","90","","100.16","0.03","90","","2285.5","0.8","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Cl3 Cu N4 O4 -","- C20 H21 Cl3 Cu N4 O4 -","- C80 H84 Cl12 Cu4 N16 O16 -","4","1","","Rigamonti, Luca; Demartin, Francesco; Forni, Alessandra; Righetto, Stefania; Pasini, Alessandro","Copper(II) Complexes of salen Analogues with Two Differently Substituted (Push−Pull) Salicylaldehyde Moieties. A Study on the Modulation of Electronic Asymmetry and Nonlinear Optical Properties","Inorganic Chemistry","2006","45","26","10976","10989","10.1021/ic0613513","","","0.71073","MoKα","","0.1385","0.0601","","","0.1209","0.1652","","","","","","1.026","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333066","10.4644","0.0005","13.7992","0.0007","13.9798","0.0007","113.91","0.01","103","0.01","96.081","0.01","1753.6","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cu N3 O4.5 -","- C18 H18 Cu N3 O4.5 -","- C72 H72 Cu4 N12 O18 -","4","2","","Rigamonti, Luca; Demartin, Francesco; Forni, Alessandra; Righetto, Stefania; Pasini, Alessandro","Copper(II) Complexes of salen Analogues with Two Differently Substituted (Push−Pull) Salicylaldehyde Moieties. A Study on the Modulation of Electronic Asymmetry and Nonlinear Optical Properties","Inorganic Chemistry","2006","45","26","10976","10989","10.1021/ic0613513","","","0.71073","MoKα","","0.0538","0.0358","","","0.0874","0.0954","","","","","","1.03","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333067","8.6993","0.0017","9.0644","0.0018","11.094","0.002","66.41","0.03","80.23","0.03","80.17","0.03","784.9","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Cu N3 O5 -","- C17 H15 Cu N3 O5 -","- C34 H30 Cu2 N6 O10 -","2","1","","Rigamonti, Luca; Demartin, Francesco; Forni, Alessandra; Righetto, Stefania; Pasini, Alessandro","Copper(II) Complexes of salen Analogues with Two Differently Substituted (Push−Pull) Salicylaldehyde Moieties. A Study on the Modulation of Electronic Asymmetry and Nonlinear Optical Properties","Inorganic Chemistry","2006","45","26","10976","10989","10.1021/ic0613513","","","0.71073","MoKα","","0.0645","0.0461","","","0.1079","0.1156","","","","","","1.061","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333068","13.902","0.003","14.435","0.003","14.909","0.003","64.168","0.003","79.495","0.003","62.515","0.003","2388.3","0.9","213","2","213","2","","","","","","","","7","P -1","-P 1","2","[Mo2(DmCF3F)3]2(OH)2,CH2Cl2","","","- C91 H56 Cl2 F36 Mo4 N12 O2 -","- C91 H56 Cl2 F36 Mo4 N12 O2 -","- C91 H56 Cl2 F36 Mo4 N12 O2 -","1","0.5","","Cotton, F. Albert; Murillo, Carlos A.; Yu, Rongmin; Zhao, Qinliang","A Rare and Highly Oxidized Mo25.5+Unit Stabilized by Oxo Anions and Supported by Formamidinate Bridges","Inorganic Chemistry","2006","45","22","9046","9052","10.1021/ic061352v","","","0.71073","MoKα","","0.0663","0.0501","","","0.1301","0.1431","","","","","","1.043","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333069","25.102","0.006","13.713","0.003","28.118","0.007","90","","104.807","0.004","90","","9357","4","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Mo2(DmCF3F)3]2O2, H2O","","","- C90 H54 F35.99 Mo4 N12 O3 -","- C90 H54 F35.985 Mo4 N12 O3.001 -","- C360 H216 F143.94 Mo16 N48 O12.004 -","4","1","","Cotton, F. Albert; Murillo, Carlos A.; Yu, Rongmin; Zhao, Qinliang","A Rare and Highly Oxidized Mo25.5+Unit Stabilized by Oxo Anions and Supported by Formamidinate Bridges","Inorganic Chemistry","2006","45","22","9046","9052","10.1021/ic061352v","","","0.71073","MoKα","","0.0614","0.0397","","","0.1013","0.1148","","","","","","1.035","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333070","14.296","0.005","15.033","0.005","24.294","0.008","72.523","0.007","86.086","0.007","81.596","0.006","4925","3","213","2","213","2","","","","","","","","8","P -1","-P 1","2","[Mo2(DmCF3F)3]2O2SbF6, H2O, CH2Cl2","","","- C91 H56 Cl2 F42 Mo4 N12 O3 Sb -","- C91 H56 Cl2 F42.009 Mo4 N12 O3 Sb -","- C182 H112 Cl4 F84.018 Mo8 N24 O6 Sb2 -","2","1","","Cotton, F. Albert; Murillo, Carlos A.; Yu, Rongmin; Zhao, Qinliang","A Rare and Highly Oxidized Mo25.5+Unit Stabilized by Oxo Anions and Supported by Formamidinate Bridges","Inorganic Chemistry","2006","45","22","9046","9052","10.1021/ic061352v","","","0.71073","MoKα","","0.0933","0.0599","","","0.1423","0.1632","","","","","","1.048","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333071","14.099","0.007","16.316","0.008","15.324","0.007","90","","91.212","0.008","90","","3524","3","238","2","238","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","B(mim(t-Bu))3Fe(CO)2","","","- C32 H42 B Fe N6 O2 S3 -","- C32 H42 B Fe N6 O2 S3 -","- C128 H168 B4 Fe4 N24 O8 S12 -","4","1","","Figueroa, Joshua S.; Melnick, Jonathan G.; Parkin, Gerard","Reactivity of the Metal→BX3Dative σ-Bond: 1,2-Addition Reactions of the Fe→BX3Moiety of the Ferraboratrane Complex [κ4-B(mimBut)3]Fe(CO)2","Inorganic Chemistry","2006","45","18","7056","7058","10.1021/ic061353n","","","0.71073","MoKα","","0.1819","0.0566","","","0.0873","0.1063","","","","","","1.01","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333072","40.858","0.002","10.283","0.0006","28.2342","0.0017","90","","132.408","0.003","90","","8758.7","0.9","153","2","153","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H60 Cl2 I18 N4 Ni2 O5 S16 -","- C40 H32 Cl2 I18.2 N4 Ni2 O2 S16 -","- C160 H128 Cl8 I72.8 N16 Ni8 O8 S64 -","4","0.5","","Liu, Shi-Xia; Ambrus, Christina; Dolder, Stefan; Neels, Antonia; Decurtins, Silvio","A Dinuclear Ni(II) Complex with Two Types of Intramolecular Magnetic Couplings: Ni(II)−Ni(II) and Ni(II)−TTF•+","Inorganic Chemistry","2006","45","24","9622","9624","10.1021/ic0613614","","","0.71073","MoKα","","0.1238","0.0873","","","0.2516","0.2672","","","","","","1.035","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333073","10.325","0.0004","22.8023","0.0014","23.9332","0.0014","95.174","0.003","91.414","0.003","98.993","0.004","5538.4","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H70 B2 Ce O3.5 P3 S2 -","- C56 H70 B2 Ce O3.5 P3 S2 -","- C224 H280 B8 Ce4 O14 P12 S8 -","4","2","","Arliguie, Thérèse; Doux, Marjolaine; Mézailles, Nicolas; Thuéry, Pierre; Le Floch, Pascal; Ephritikhine, Michel","Lanthanide and Uranium Complexes with an SPS-Based Pincer Ligand","Inorganic Chemistry","2006","45","24","9907","9913","10.1021/ic061364g","","","0.71073","MoKα","","0.1271","0.0723","","","0.1492","0.1743","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333074","10.3078","0.0006","22.7922","0.0017","23.8918","0.0015","95.051","0.004","91.311","0.004","99.068","0.004","5517.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H70 B2 Nd O3.5 P3 S2 -","- C56 H70 B2 Nd O3.5 P3 S2 -","- C224 H280 B8 Nd4 O14 P12 S8 -","4","2","","Arliguie, Thérèse; Doux, Marjolaine; Mézailles, Nicolas; Thuéry, Pierre; Le Floch, Pascal; Ephritikhine, Michel","Lanthanide and Uranium Complexes with an SPS-Based Pincer Ligand","Inorganic Chemistry","2006","45","24","9907","9913","10.1021/ic061364g","","","0.71073","MoKα","","0.084","0.0554","","","0.1288","0.1432","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333075","16.311","0.003","16.7552","0.0018","24.037","0.004","95.421","0.009","100.691","0.006","103.437","0.008","6213","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C142 H138 Ce O4 P9 S6 -","- C142 H138 Ce O4 P9 S6 -","- C284 H276 Ce2 O8 P18 S12 -","2","1","","Arliguie, Thérèse; Doux, Marjolaine; Mézailles, Nicolas; Thuéry, Pierre; Le Floch, Pascal; Ephritikhine, Michel","Lanthanide and Uranium Complexes with an SPS-Based Pincer Ligand","Inorganic Chemistry","2006","45","24","9907","9913","10.1021/ic061364g","","","0.71073","MoKα","","0.2368","0.0906","","","0.1465","0.2034","","","","","","0.94","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333076","12.23","0.0004","16.1054","0.0007","23.8636","0.0007","104.816","0.003","95.565","0.003","91.068","0.002","4518.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H88 Cl2 N4 P6 S4 U -","- C104 H88 Cl2 N4 P6 S4 U -","- C208 H176 Cl4 N8 P12 S8 U2 -","2","1","","Arliguie, Thérèse; Doux, Marjolaine; Mézailles, Nicolas; Thuéry, Pierre; Le Floch, Pascal; Ephritikhine, Michel","Lanthanide and Uranium Complexes with an SPS-Based Pincer Ligand","Inorganic Chemistry","2006","45","24","9907","9913","10.1021/ic061364g","","","0.71073","MoKα","","0.0761","0.044","","","0.0599","0.0657","","","","","","0.955","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333077","21.048","0.005","12.557","0.002","17.44","0.004","90","","115.26","0.012","90","","4168.6","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","potassium-tris{bis(trimethylsilylamido)}ytterbate(II)","","- C21 H63 K N2 Si8 Yb -","- C21 H63 K N2 Si8 Yb -","- C84 H252 K4 N8 Si32 Yb4 -","4","1","","Niemeyer, Mark","Reactions of Hypersilyl Potassium with Rare-Earth Metal Bis(Trimethylsilylamides): Addition versus Peripheral Deprotonation","Inorganic Chemistry","2006","45","22","9085","9095","10.1021/ic0613659","","","0.71073","MoKα","","0.0478","0.0302","","","0.0677","0.0707","","","","","","0.881","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333078","9.95","0.004","11.856","0.005","19.285","0.006","82.05","0.03","84.44","0.03","82.38","0.03","2226.1","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","1-Trimethylsilyl-4-bis(bis(trimethylsilyl)amido-N)-2,2-dimethyl-3- (bis(η^6^benzene)-potassium)-1-aza-2-sila-4-yttra-cyclobutane","","- C30 H65 K N3 Si6 Y -","- C30 H65 K N3 Si6 Y -","- C60 H130 K2 N6 Si12 Y2 -","2","1","","Niemeyer, Mark","Reactions of Hypersilyl Potassium with Rare-Earth Metal Bis(Trimethylsilylamides): Addition versus Peripheral Deprotonation","Inorganic Chemistry","2006","45","22","9085","9095","10.1021/ic0613659","","","0.71073","MoKα","","0.0847","0.0507","","","0.1047","0.1188","","","","","","1.175","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333079","11.715","0.002","16.888","0.003","19.192","0.003","67.365","0.013","80.343","0.014","77.379","0.014","3405.1","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","1-Trimethylsilyl-4-bis(bis(trimethylsilyl)amido-N)-2,2-dimethyl-3- potassium-1-aza-2-sila-4-ytterba-cyclobutane","","- C36 H106 K2 N6 Si12 Yb2 -","- C36 H106 K2 N6 Si12 Yb2 -","- C72 H212 K4 N12 Si24 Yb4 -","2","1","","Niemeyer, Mark","Reactions of Hypersilyl Potassium with Rare-Earth Metal Bis(Trimethylsilylamides): Addition versus Peripheral Deprotonation","Inorganic Chemistry","2006","45","22","9085","9095","10.1021/ic0613659","","","0.71073","MoKα","","0.0582","0.0399","","","0.0882","0.0957","","","","","","1.166","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333080","12.265","0.004","13.418","0.005","13.45","0.005","93.53","0.02","99.65","0.02","100.15","0.02","2138.5","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","1-Trimethylsilyl-4-bis(bis(trimethylsilyl)amido-N)-2,2-dimethyl-3- (bis(tetramethylethylenediamine-N,N'-lithium)-1-aza-2-sila-4- yttra-cyclobutane","","- C24 H69 Li N5 Si6 Y -","- C24 H69 Li N5 Si6 Y -","- C48 H138 Li2 N10 Si12 Y2 -","2","1","","Niemeyer, Mark","Reactions of Hypersilyl Potassium with Rare-Earth Metal Bis(Trimethylsilylamides): Addition versus Peripheral Deprotonation","Inorganic Chemistry","2006","45","22","9085","9095","10.1021/ic0613659","","","0.71073","MoKα","","0.085","0.0532","","","0.1121","0.1257","","","","","","1.198","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333081","8.85","0.002","11.72","0.003","16.363","0.004","96.46","0.02","95.8","0.02","102.32","0.02","1633.9","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","lithium-tris{bis(trimethylsilylamido)}ytterbate(II)","","- C18 H54 Li N3 Si6 Yb -","- C18 H54 Li N3 Si6 Yb -","- C36 H108 Li2 N6 Si12 Yb2 -","2","1","","Niemeyer, Mark","Reactions of Hypersilyl Potassium with Rare-Earth Metal Bis(Trimethylsilylamides): Addition versus Peripheral Deprotonation","Inorganic Chemistry","2006","45","22","9085","9095","10.1021/ic0613659","","","0.71073","MoKα","","0.0426","0.0331","","","0.0798","0.0818","","","","","","0.963","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333082","11.232","0.004","20.641","0.006","11.872","0.003","90","","99.03","0.02","90","","2718.3","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,5-bis(bis(trimethylsilyl)amido)-1,5-bis(tetrahydrofuran)-3,3,7,7- tetramethyl-4,8-bis(trimethylsilyl)-4,8-diaza-3,7-disila-1,5- diyttratricyclo(4.2.0.0^2,5^)octane","","- C16 H43 N2 O Si4 Y -","- C16 H43 N2 O Si4 Y -","- C64 H172 N8 O4 Si16 Y4 -","4","1","","Niemeyer, Mark","Reactions of Hypersilyl Potassium with Rare-Earth Metal Bis(Trimethylsilylamides): Addition versus Peripheral Deprotonation","Inorganic Chemistry","2006","45","22","9085","9095","10.1021/ic0613659","","","0.71073","MoKα","","0.1258","0.0456","","","0.0866","0.1004","","","","","","0.736","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333083","9.792","0.004","9.865","0.004","10.232","0.005","72.694","0.007","84.509","0.007","75.381","0.007","912.9","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","tetra-n-butylbis(ethanesulfonato)bis(hydrogenmethylphosphonato)ditin","","","- C22 H54 O12 P2 S2 Sn2 -","- C22 H54 O12 P2 S2 Sn2 -","- C22 H54 O12 P2 S2 Sn2 -","1","0.5","","Shankar, Ravi; Singh, Atul Pratap; Upreti, Shailesh","Expanding the Scope of Sulfur-Centered Arbuzov Rearrangement in Diethyl/Di-n-propyl Sulfite for the Synthesis of Mixed-Ligand Di-n-butyltin Alkanesulfonates†","Inorganic Chemistry","2006","45","23","9166","9168","10.1021/ic061377u","","","0.71073","MoKα","","0.0543","0.0371","","","0.0869","0.1013","","","","","","1.001","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333084","10.74","0.0019","9.9175","0.0017","16.864","0.003","90","","92.678","0.003","90","","1794.3","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tetra-n-butylbis(methanesulfonato)bis(hydrogenmethylphosphonato)ditin","","","- C20 H50 O12 P2 S2 Sn2 -","- C20 H50 O12 P2 S2 Sn2 -","- C40 H100 O24 P4 S4 Sn4 -","2","0.5","","Shankar, Ravi; Singh, Atul Pratap; Upreti, Shailesh","Expanding the Scope of Sulfur-Centered Arbuzov Rearrangement in Diethyl/Di-n-propyl Sulfite for the Synthesis of Mixed-Ligand Di-n-butyltin Alkanesulfonates†","Inorganic Chemistry","2006","45","23","9166","9168","10.1021/ic061377u","","","0.71073","MoKα","","0.0288","0.0262","","","0.0715","0.073","","","","","","1.099","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333085","16.0673","0.0008","16.0673","0.0008","32.267","0.002","90","","90","","90","","8330","0.8","293","2","293","2","","","","","","","","3","I -4 2 m","I -4 2","121","","","","- Ba39 Li80 N9 -","- Ba39 Li80 N9 -","- Ba78 Li160 N18 -","2","0.125","","Smetana, Volodymyr; Babizhetskyy, Volodymyr; Vajenine, Grigori V.; Simon, Arndt","Li80Ba39N9: The First Li/Ba Subnitride","Inorganic Chemistry","2006","45","26","10786","10789","10.1021/ic0613816","","","0.56086","AgKα","","0.0625","0.0395","","","0.0854","0.0934","","","","","","1.004","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333086","15.0188","0.0003","15.6962","0.0003","26.9793","0.0006","90","","106.358","0.001","90","","6102.6","0.2","93","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 N8 O40 Pd2 Si W12 -","- C24.192 N8 O40 Pd2 Si W12 -","- C48.384 N16 O80 Pd4 Si2 W24 -","2","0.5","","Uehara, Kazuhiro; Nakao, Hideaki; Kawamoto, Ryosuke; Hikichi, Shiro; Mizuno, Noritaka","2D-Grid Layered Pd-Based Cationic Infinite Coordination Polymer/Polyoxometalate Crystal with Hydrophilic Sorption","Inorganic Chemistry","2006","45","23","9448","9453","10.1021/ic061393r","","","0.71073","MoKα","","","0.0625","","","","0.1991","","","","","","0.852","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333087","14.2009","0.0004","22.8865","0.0008","14.8558","0.0005","90","","114.799","0.001","90","","4383","0.2","153","2","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 N8 O40 Pd2 Si W12 -","- C24 N8 O40 Pd2 Si W12 -","- C48 N16 O80 Pd4 Si2 W24 -","2","0.5","","Uehara, Kazuhiro; Nakao, Hideaki; Kawamoto, Ryosuke; Hikichi, Shiro; Mizuno, Noritaka","2D-Grid Layered Pd-Based Cationic Infinite Coordination Polymer/Polyoxometalate Crystal with Hydrophilic Sorption","Inorganic Chemistry","2006","45","23","9448","9453","10.1021/ic061393r","","","0.71069","MoKα","","","0.0725","","","","0.2223","","","","","","0.866","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333088","16.3674","0.0002","23.736","0.0003","25.0897","0.0003","90","","90","","90","","9747.3","0.2","93","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 N4 O44 Pd2 Si W12 -","- C4 N4 O44 Pd2 Si W12 -","- C32 N32 O352 Pd16 Si8 W96 -","8","1","","Uehara, Kazuhiro; Nakao, Hideaki; Kawamoto, Ryosuke; Hikichi, Shiro; Mizuno, Noritaka","2D-Grid Layered Pd-Based Cationic Infinite Coordination Polymer/Polyoxometalate Crystal with Hydrophilic Sorption","Inorganic Chemistry","2006","45","23","9448","9453","10.1021/ic061393r","","","0.71069","MoKα","","","0.063","","","","0.1955","","","","","","1.097","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333089","14.0367","0.001","27.3713","0.0019","17.2488","0.0012","90","","100.049","0.002","90","","6525.4","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H71 N Ni P3 S3 Se Si3 -","- C69 H71 N Ni P3 S3 Se Si3 -","- C276 H284 N4 Ni4 P12 S12 Se4 Si12 -","4","1","","Lee, Chien-Ming; Chuang, Ya-Lan; Chiang, Chao-Yi; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear Ni(III) Complexes [NiIII(L)(P(C6H3-3-SiMe3-2-S)3)]0/1-(L = Thiolate, Selenolate, CH2CN, Cl, PPh3): Relevance to the Nickel Site of [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","26","10895","10904","10.1021/ic061399g","","","0.71073","MoKα","","0.0905","0.0647","","","0.1771","0.1872","","","","","","1.039","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333090","14.1257","0.0007","27.4393","0.0013","17.0504","0.0008","90","","100.733","0.001","90","","6493.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl3 N Ni P3 S3 Si3 -","- C64 H68 Cl3 N Ni P3 S3 Si3 -","- C256 H272 Cl12 N4 Ni4 P12 S12 Si12 -","4","1","","Lee, Chien-Ming; Chuang, Ya-Lan; Chiang, Chao-Yi; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear Ni(III) Complexes [NiIII(L)(P(C6H3-3-SiMe3-2-S)3)]0/1-(L = Thiolate, Selenolate, CH2CN, Cl, PPh3): Relevance to the Nickel Site of [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","26","10895","10904","10.1021/ic061399g","","","0.71073","MoKα","","0.0539","0.0376","","","0.0748","0.0781","","","","","","1.046","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333091","27.3739","0.0008","17.4606","0.0005","28.0152","0.0008","90","","90","","90","","13390.3","0.7","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H69 N2 Ni P3 S4 Si3 -","- C67 H69 N2 Ni P3 S4 Si3 -","- C536 H552 N16 Ni8 P24 S32 Si24 -","8","1","","Lee, Chien-Ming; Chuang, Ya-Lan; Chiang, Chao-Yi; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear Ni(III) Complexes [NiIII(L)(P(C6H3-3-SiMe3-2-S)3)]0/1-(L = Thiolate, Selenolate, CH2CN, Cl, PPh3): Relevance to the Nickel Site of [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","26","10895","10904","10.1021/ic061399g","","","0.71073","MoKα","","0.1163","0.0896","","","0.1983","0.2166","","","","","","1.183","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333092","13.9933","0.0009","27.3245","0.0016","17.2121","0.001","90","","99.83","0.002","90","","6484.6","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H69 N Ni P3 S5 Si3 -","- C67 H66 N Ni P3 S5 Si3 -","- C268 H264 N4 Ni4 P12 S20 Si12 -","4","1","","Lee, Chien-Ming; Chuang, Ya-Lan; Chiang, Chao-Yi; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear Ni(III) Complexes [NiIII(L)(P(C6H3-3-SiMe3-2-S)3)]0/1-(L = Thiolate, Selenolate, CH2CN, Cl, PPh3): Relevance to the Nickel Site of [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","26","10895","10904","10.1021/ic061399g","","","0.71073","MoKα","","0.105","0.0491","","","0.0751","0.0851","","","","","","0.773","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333093","15.0029","0.0002","15.3075","0.0002","15.3873","0.0002","84.2364","0.0008","65.8794","0.0007","82.5269","0.0008","3193.49","0.07","150","1","150","1","","","","","","","","9","P -1","-P 1","2","","","","- C66.3 H69.2 N1.9 Ni O0.9 P3 S3 Se0.1 Si3 -","- C66.3 H69.2 N1.9 Ni O0.9 P3 S3 Se0.1 Si3 -","- C132.6 H138.4 N3.8 Ni2 O1.8 P6 S6 Se0.2 Si6 -","2","1","","Lee, Chien-Ming; Chuang, Ya-Lan; Chiang, Chao-Yi; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear Ni(III) Complexes [NiIII(L)(P(C6H3-3-SiMe3-2-S)3)]0/1-(L = Thiolate, Selenolate, CH2CN, Cl, PPh3): Relevance to the Nickel Site of [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","26","10895","10904","10.1021/ic061399g","","","0.71073","MoKα","","0.1065","0.0481","","","0.0966","0.1193","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333094","27.6146","0.0004","17.357","0.0002","27.9427","0.0004","90","","90","","90","","13393.1","0.3","150","1","150","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C69 H76 N2 Ni O P3 S3 Si3 -","- C69 H76 N2 Ni O P3 S3 Si3 -","- C552 H608 N16 Ni8 O8 P24 S24 Si24 -","8","1","","Lee, Chien-Ming; Chuang, Ya-Lan; Chiang, Chao-Yi; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear Ni(III) Complexes [NiIII(L)(P(C6H3-3-SiMe3-2-S)3)]0/1-(L = Thiolate, Selenolate, CH2CN, Cl, PPh3): Relevance to the Nickel Site of [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","26","10895","10904","10.1021/ic061399g","","","0.71073","MoKα","","0.109","0.0528","","","0.1242","0.1468","","","","","","1.007","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333095","15.8022","0.0009","11.1301","0.0006","26.2295","0.0015","90","","90.284","0.002","90","","4613.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 Ni P2 S3 Si3 -","- C45 H52 Ni P2 S3 Si3 -","- C180 H208 Ni4 P8 S12 Si12 -","4","1","","Lee, Chien-Ming; Chuang, Ya-Lan; Chiang, Chao-Yi; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear Ni(III) Complexes [NiIII(L)(P(C6H3-3-SiMe3-2-S)3)]0/1-(L = Thiolate, Selenolate, CH2CN, Cl, PPh3): Relevance to the Nickel Site of [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","26","10895","10904","10.1021/ic061399g","","","0.71073","MoKα","","0.1155","0.0829","","","0.2029","0.219","","","","","","1.047","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333096","22.6313","0.001","13.7104","0.0013","23.899","0.002","90","","115.01","0.004","90","","6720.2","0.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49.75 H62 Fe2 N26 Ni2 O29.25 -","- C49.75 H54 Fe2 N26 Ni2 O29.25 -","- C199 H216 Fe8 N104 Ni8 O117 -","4","1","","Parsons, Stewart R.; Thompson, Laurence K.; Dey, Subrata K.; Wilson, Claire; Howard, Judith A. K.","High-Spin [2 ×2] [FeIII2NiII2] Heterometallic Square Grid with anS= 3 Ground State","Inorganic Chemistry","2006","45","22","8832","8834","10.1021/ic061402w","","","0.71073","MoKα","","0.0767","0.0546","","","0.142","0.1693","","","","","","1.142","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333097","7.7937","0.0004","18.9861","0.001","31.4245","0.0017","90","","90","","90","","4649.9","0.4","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 B N6 O3 Re -","- C12 H16 B N6 O3 Re -","- C144 H192 B12 N72 O36 Re12 -","12","3","","Lassen, Peter R.; Guy, Laure; Karame, Iyad; Roisnel, Thierry; Vanthuyne, Nicolas; Roussel, Christian; Cao, Xiaolin; Lombardi, Rosina; Crassous, Jeanne; Freedman, Teresa B.; Nafie, Laurence A.","Synthesis and Vibrational Circular Dichroism of Enantiopure Chiral Oxorhenium(V) Complexes Containing the Hydrotris(1-pyrazolyl)borate Ligand","Inorganic Chemistry","2006","45","25","10230","10239","10.1021/ic061418m","","x-ray","0.71073","MoKα","","0.0261","0.0207","","","0.034","0.0349","","","","","","0.995","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333098","8.3663","0.0005","8.3379","0.0005","11.3364","0.0008","90","","101.869","0.003","90","","773.89","0.09","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C12 H16 B N6 O3 Re -","- C12 H16 B N6 O3 Re -","- C24 H32 B2 N12 O6 Re2 -","2","1","","Lassen, Peter R.; Guy, Laure; Karame, Iyad; Roisnel, Thierry; Vanthuyne, Nicolas; Roussel, Christian; Cao, Xiaolin; Lombardi, Rosina; Crassous, Jeanne; Freedman, Teresa B.; Nafie, Laurence A.","Synthesis and Vibrational Circular Dichroism of Enantiopure Chiral Oxorhenium(V) Complexes Containing the Hydrotris(1-pyrazolyl)borate Ligand","Inorganic Chemistry","2006","45","25","10230","10239","10.1021/ic061418m","","x-ray","0.71073","MoKα","","0.0392","0.0352","","","0.0891","0.0905","","","","","","1.105","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333099","10.458","0.0002","10.6516","0.0003","14.5438","0.0004","90","","96.703","0.001","90","","1609.02","0.07","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 B N7 O2 Re -","- C12 H17 B N7 O2 Re -","- C48 H68 B4 N28 O8 Re4 -","4","1","","Lassen, Peter R.; Guy, Laure; Karame, Iyad; Roisnel, Thierry; Vanthuyne, Nicolas; Roussel, Christian; Cao, Xiaolin; Lombardi, Rosina; Crassous, Jeanne; Freedman, Teresa B.; Nafie, Laurence A.","Synthesis and Vibrational Circular Dichroism of Enantiopure Chiral Oxorhenium(V) Complexes Containing the Hydrotris(1-pyrazolyl)borate Ligand","Inorganic Chemistry","2006","45","25","10230","10239","10.1021/ic061418m","","x-ray","0.71073","MoKα","","0.0335","0.0276","","","0.0685","0.073","","","","","","1.058","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333100","8.7869","0.0008","8.8777","0.0008","11.361","0.001","74.211","0.001","88.421","0.001","75.96","0.001","826.63","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Cl O2 P S -","- C20 H12 Cl O2 P S -","- C40 H24 Cl2 O4 P2 S2 -","2","1","","Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis of Neutral (PdII, PtII), Cationic (PdII), and Water-Induced Anionic (PdII) Complexes Containing New Mesocyclic§Thioether−Aminophosphonite Ligands and Their Application in the Suzuki Cross-Coupling Reaction","Inorganic Chemistry","2006","45","23","9454","9464","10.1021/ic061419e","","","0.71073","MoKα","","0.0327","0.0305","","","0.0821","0.0842","","","","","","1.034","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333101","6.9284","0.0007","9.2195","0.0009","17.083","0.002","82.065","0.001","85.694","0.001","70.673","0.001","1019.34","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 N O3 P S -","- C24 H20 N O3 P S -","- C48 H40 N2 O6 P2 S2 -","2","1","","Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis of Neutral (PdII, PtII), Cationic (PdII), and Water-Induced Anionic (PdII) Complexes Containing New Mesocyclic§Thioether−Aminophosphonite Ligands and Their Application in the Suzuki Cross-Coupling Reaction","Inorganic Chemistry","2006","45","23","9454","9464","10.1021/ic061419e","","","0.71073","MoKα","","0.038","0.035","","","0.0925","0.095","","","","","","1.053","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333102","9.947","0.002","11.663","0.003","11.86","0.003","60.967","0.003","86.534","0.003","66.273","0.003","1085.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 N2 O2 P S -","- C25 H23 N2 O2 P S -","- C50 H46 N4 O4 P2 S2 -","2","1","","Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis of Neutral (PdII, PtII), Cationic (PdII), and Water-Induced Anionic (PdII) Complexes Containing New Mesocyclic§Thioether−Aminophosphonite Ligands and Their Application in the Suzuki Cross-Coupling Reaction","Inorganic Chemistry","2006","45","23","9454","9464","10.1021/ic061419e","","","0.71073","MoKα","","0.0864","0.0587","","","0.133","0.1454","","","","","","1.037","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333103","12.735","0.003","9.856","0.002","35.707","0.008","90","","94.646","0.003","90","","4467.1","1.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Cl2 N2 O6 P2 Pt S2 -","- C48 H40 Cl2 N2 O6 P2 Pt S2 -","- C192 H160 Cl8 N8 O24 P8 Pt4 S8 -","4","1","","Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis of Neutral (PdII, PtII), Cationic (PdII), and Water-Induced Anionic (PdII) Complexes Containing New Mesocyclic§Thioether−Aminophosphonite Ligands and Their Application in the Suzuki Cross-Coupling Reaction","Inorganic Chemistry","2006","45","23","9454","9464","10.1021/ic061419e","","","0.71073","MoKα","","0.1612","0.1064","","","0.2233","0.2419","","","","","","1.144","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333104","8.873","0.0005","12.4521","0.0007","12.8007","0.0007","106.318","0.001","95.263","0.001","93.85","0.001","1345.22","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H24 Cl4 N O4 P Pd S -","- C25 H24 Cl4 N O4 P Pd S -","- C50 H48 Cl8 N2 O8 P2 Pd2 S2 -","2","1","","Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis of Neutral (PdII, PtII), Cationic (PdII), and Water-Induced Anionic (PdII) Complexes Containing New Mesocyclic§Thioether−Aminophosphonite Ligands and Their Application in the Suzuki Cross-Coupling Reaction","Inorganic Chemistry","2006","45","23","9454","9464","10.1021/ic061419e","","","0.71073","MoKα","","0.0235","0.0223","","","0.0562","0.0569","","","","","","1.048","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333105","21.2193","0.0016","21.2193","0.0016","18.4841","0.0014","90","","90","","90","","8322.6","1.1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","3,5-bis(3,4,5-trimethoxyphenyl)pyrazole","","- C21 H24 N2 O6 -","- C21 H24 N2 O6 -","- C336 H384 N32 O96 -","16","1","","Giménez, Raquel; Elduque, Anabel; López, José Antonio; Barberá, Joaquín; Cavero, Emma; Lantero, Ignacio; Oro, Luis A.; Serrano, José Luis","Supramolecular Structures and Columnar Mesophase Induction in Nondiscoid Pyrazoles by Complexation to Rhodium(I)","Inorganic Chemistry","2006","45","25","10363","10370","10.1021/ic0614216","","x-ray","0.71073","MoKα","","0.0585","0.0396","","","0.0874","0.0954","","","","","","1.019","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333106","14.6971","0.0014","14.2494","0.0014","27.234","0.002","90","","94.254","0.003","90","","5687.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-dicarbonylchloro[3,5-bis(3,4,5-trimethoxyphenyl)pyrazole]rhodium(I)","","- C24 H26 Cl3 N2 O8 Rh -","- C24 H26 Cl3 N2 O8 Rh -","- C192 H208 Cl24 N16 O64 Rh8 -","8","2","","Giménez, Raquel; Elduque, Anabel; López, José Antonio; Barberá, Joaquín; Cavero, Emma; Lantero, Ignacio; Oro, Luis A.; Serrano, José Luis","Supramolecular Structures and Columnar Mesophase Induction in Nondiscoid Pyrazoles by Complexation to Rhodium(I)","Inorganic Chemistry","2006","45","25","10363","10370","10.1021/ic0614216","","","0.71073","MoKα","","0.0675","0.041","","","0.0751","0.0824","","","","","","0.957","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333107","15.6795","0.0004","21.3364","0.0007","16.1558","0.0006","90","","118.076","0.002","90","","4768.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C51 H41 Eu N3 O11.5 -","- C51 H39 Eu N3 O11.5 -","- C204 H156 Eu4 N12 O46 -","4","1","","Biju, S.; Raj, D. B. Ambili; Reddy, M. L. P.; Kariuki, B. M.","Synthesis, Crystal Structure, and Luminescent Properties of Novel Eu3+Heterocyclic β-Diketonate Complexes with Bidentate Nitrogen Donors","Inorganic Chemistry","2006","45","26","10651","10660","10.1021/ic061425a","","","1.54178","CuKα","","0.0473","0.0348","","","0.0895","0.0965","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333108","10.5185","0.0004","16.7762","0.0008","16.8211","0.0007","80.343","0.003","75.786","0.002","72.842","0.003","2734.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60.7 H39.4 Cl1.4 Eu N5 O9 -","- C60.7 H39.4 Cl1.4 Eu N5 O9 -","- C121.4 H78.8 Cl2.8 Eu2 N10 O18 -","2","1","","Biju, S.; Raj, D. B. Ambili; Reddy, M. L. P.; Kariuki, B. M.","Synthesis, Crystal Structure, and Luminescent Properties of Novel Eu3+Heterocyclic β-Diketonate Complexes with Bidentate Nitrogen Donors","Inorganic Chemistry","2006","45","26","10651","10660","10.1021/ic061425a","","","1.54178","CuKα","","0.0734","0.0473","","","0.1049","0.1165","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333109","11.6965","0.0005","15.2089","0.0006","22.1252","0.0009","90","","101.424","0.001","90","","3857.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","K2(NH4)2[(MoO2)2O3(C7H7O7)2].6H2O","","","- C14 H34 K2 Mo4 N2 O31 -","- C14 H29 K2 Mo4 N2 O31 -","- C56 H116 K8 Mo16 N8 O124 -","4","1","","Zhou, Zhao-Hui; Hou, Shu-Ya; Cao, Ze-Xing; Tsai, Khi-Rui; Chow, Yuan L.","Syntheses, Spectroscopies and Structures of Molybdenum(VI) Complexes with Homocitrate","Inorganic Chemistry","2006","45","20","8447","8451","10.1021/ic061429f","","","0.71073","MoKα","","0.0481","0.0436","","","0.1398","0.1434","","","","","","0.959","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333110","11.1613","0.0005","12.188","0.0006","15.2829","0.0007","86.64","0.001","72.296","0.001","67.387","0.001","1824.25","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","K5[(MoO2)2O3(C7H7O7)2]Cl.5H2O","","","- C14 H24 Cl K5 Mo4 O30 -","- C14 H22 Cl K5 Mo4 O30 -","- C28 H44 Cl2 K10 Mo8 O60 -","2","1","","Zhou, Zhao-Hui; Hou, Shu-Ya; Cao, Ze-Xing; Tsai, Khi-Rui; Chow, Yuan L.","Syntheses, Spectroscopies and Structures of Molybdenum(VI) Complexes with Homocitrate","Inorganic Chemistry","2006","45","20","8447","8451","10.1021/ic061429f","","","0.71073","MoKα","","0.0609","0.0572","","","0.1277","0.1299","","","","","","1.231","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333111","10.1411","0.0006","24.0087","0.0013","11.1545","0.0006","90","","102.462","0.001","90","","2651.9","0.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H45 Fe N2 O P2 S3 -","- C54 H45 Fe N2 O P2 S3 -","- C108 H90 Fe2 N4 O2 P4 S6 -","2","1","","Lu, Tsai-Te; Chiou, Show-Jen; Chen, Chun-Yu; Liaw, Wen-Feng","Mononitrosyl Tris(Thiolate) Iron Complex [Fe(NO)(SPh)3]-and Dinitrosyl Iron Complex [(EtS)2Fe(NO)2]-: Formation Pathway of Dinitrosyl Iron Complexes (DNICs) from Nitrosylation of Biomimetic Rubredoxin [Fe(SR)4]2-/1-(R = Ph, Et)","Inorganic Chemistry","2006","45","21","8799","8806","10.1021/ic061439g","","","0.71073","MoKα","","0.0815","0.0592","","","0.1535","0.1607","","","","","","0.969","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333112","26.3429","0.0009","9.8941","0.0003","29.148","0.001","90","","90","","90","","7597.1","0.4","273","2","273","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C80 H80 Fe2 N6 O4 P4 S4 -","- C40 H40 Fe N3 O2 P2 S2 -","- C320 H320 Fe8 N24 O16 P16 S16 -","8","2","","Lu, Tsai-Te; Chiou, Show-Jen; Chen, Chun-Yu; Liaw, Wen-Feng","Mononitrosyl Tris(Thiolate) Iron Complex [Fe(NO)(SPh)3]-and Dinitrosyl Iron Complex [(EtS)2Fe(NO)2]-: Formation Pathway of Dinitrosyl Iron Complexes (DNICs) from Nitrosylation of Biomimetic Rubredoxin [Fe(SR)4]2-/1-(R = Ph, Et)","Inorganic Chemistry","2006","45","21","8799","8806","10.1021/ic061439g","","","0.71073","MoKα","","0.1251","0.07","","","0.1168","0.1412","","","","","","0.892","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333113","14.735","0.0005","14.8471","0.0005","21.8612","0.0008","90","","96.124","0.001","90","","4755.3","0.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H100 Cl24 I2 N14 Na2 O8 -","- C56 H96 Cl24 I2 N14 Na2 O8 -","- C112 H192 Cl48 I4 N28 Na4 O16 -","2","0.5","","Harte, Andrew J.; Jensen, Paul; Plush, Sally E.; Kruger, Paul E.; Gunnlaugsson, Thorfinnur","A Dinuclear Lanthanide Complex for the Recognition of Bis(carboxylates): Formation of Terbium(III) Luminescent Self-Assembly Ternary Complexes in Aqueous Solution","Inorganic Chemistry","2006","45","23","9465","9474","10.1021/ic0614418","","","0.71073","MoKα","","0.0502","0.0428","","","0.0935","0.097","","","","","","1.103","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333114","17.319","","15.226","","21.529","0.0012","90","","90","","90","","5677.2","0.3","130.15","","130.15","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C23.5 H25 Cl2 N2 O3 Re Si2 -","- C23.5 H25 Cl2 N2 O3 Re Si2 -","- C188 H200 Cl16 N16 O24 Re8 Si16 -","8","2","","Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent Hepta- and Tetradecanuclear Complexes of 5,5‘-Diethynyl-2,2‘-bipyridine Capped with Triangular Trinuclear Cu3/Ag3Cluster Units","Inorganic Chemistry","2006","45","25","10371","10377","10.1021/ic061448p","","","0.71073","MoKα","","0.0304","0.0299","","","0.0761","0.0764","","","","","","1.048","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4333115","14.74","0.02","16.47","0.03","19.92","0.04","86.46","0.11","83.96","0.1","82.76","0.07","4765","14","130.15","","130.15","","","","","","","","","10","P -1","-P 1","2","","","","- C172 H152 Ag6 Cl3 F24 N4 O6 P12 Re Sb4 -","- C171.998 H140 Ag6 Cl2.998 F24 N4 O5.998 P12 Re Sb4 -","- C171.998 H140 Ag6 Cl2.998 F24 N4 O5.998 P12 Re Sb4 -","1","0.5","","Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent Hepta- and Tetradecanuclear Complexes of 5,5‘-Diethynyl-2,2‘-bipyridine Capped with Triangular Trinuclear Cu3/Ag3Cluster Units","Inorganic Chemistry","2006","45","25","10371","10377","10.1021/ic061448p","","","0.71073","MoKα","","0.0689","0.0603","","","0.1651","0.1732","","","","","","1.042","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333116","12.907","0.003","17.048","0.004","22.999","0.006","69.329","0.007","82.117","0.009","78.799","0.009","4632","2","130.15","","130.15","","","","","","","","","8","P -1","-P 1","2","","","","- C90 H92 Cl2 Cu2 N4 O8 P4 Si4 -","- C90 H92 Cl2 Cu2 N4 O8 P4 Si4 -","- C180 H184 Cl4 Cu4 N8 O16 P8 Si8 -","2","1","","Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent Hepta- and Tetradecanuclear Complexes of 5,5‘-Diethynyl-2,2‘-bipyridine Capped with Triangular Trinuclear Cu3/Ag3Cluster Units","Inorganic Chemistry","2006","45","25","10371","10377","10.1021/ic061448p","","","0.71073","MoKα","","0.0596","0.0496","","","0.121","0.1291","","","","","","1.064","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4333117","9.7853","0.0002","29.5192","0.0006","34.7622","0.0007","90","","90","","90","","10041.2","0.4","100","2","100","2","","","","","","","synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H53 Cu4 I4 N6 O4 -","- C37 H53 Cu4 I4 N6 O4 -","- C296 H424 Cu32 I32 N48 O32 -","8","2","","Díez, Josefina; Gamasa, M. Pilar; Panera, María","Tetra-, Di-, and Mononuclear Copper(I) Complexes Containing (S,S)-iPr-pybox and (R,R)-Ph-pybox Ligands","Inorganic Chemistry","2006","45","25","10043","10045","10.1021/ic061453t","","","1.5418","CuKα","","0.0527","0.0424","","","0.1021","0.1078","","","","","","1.016","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333118","11.744","0.0001","11.744","0.0001","23.9252","0.0002","90","","90","","120","","2857.71","0.04","100","2","100","2","","","","","","","synthesis","6","P 32","P 32","145","","","","- C34 H46 Cl3 Cu3 N6 O4 -","- C34 H46 Cl3 Cu3 N6 O4 -","- C102 H138 Cl9 Cu9 N18 O12 -","3","1","","Díez, Josefina; Gamasa, M. Pilar; Panera, María","Tetra-, Di-, and Mononuclear Copper(I) Complexes Containing (S,S)-iPr-pybox and (R,R)-Ph-pybox Ligands","Inorganic Chemistry","2006","45","25","10043","10045","10.1021/ic061453t","","","1.54178","CuKα","","0.0534","0.0511","","","0.133","0.1355","","","","","","1.048","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333119","12.0991","0.0004","16.7041","0.0006","13.6704","0.0004","90","","113.575","0.002","90","","2532.26","0.15","150","2","150","2","","","","","","","synthesis","7","P 1 21 1","P 2yb","4","","","","- C49 H44 Cu2 F12 N6 O5 P2 -","- C49 H44 Cu2 F12 N6 O5 P2 -","- C98 H88 Cu4 F24 N12 O10 P4 -","2","1","","Díez, Josefina; Gamasa, M. Pilar; Panera, María","Tetra-, Di-, and Mononuclear Copper(I) Complexes Containing (S,S)-iPr-pybox and (R,R)-Ph-pybox Ligands","Inorganic Chemistry","2006","45","25","10043","10045","10.1021/ic061453t","","","1.5418","CuKα","","0.0876","0.069","","","0.1833","0.2118","","","","","","1.102","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333120","9.225","0.002","17.629","0.005","17.867","0.003","90","","104.52","0.02","90","","2812.9","1.1","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl2 O4 P2 W -","- C26 H26 Cl2 O4 P2 W -","- C104 H104 Cl8 O16 P8 W4 -","4","1","","Jimtaisong, Ampa; Luck, Rudy L.","Synthesis and Catalytic Epoxidation Activity with TBHP and H2O2of Dioxo-, Oxoperoxo-, and Oxodiperoxo Molybdenum(VI) and Tungsten(VI) Compounds Containing Monodentate or Bidentate Phosphine Oxide Ligands: Crystal Structures of WCl2(O)2(OPMePh2)2, WCl2(O)(O2)(OPMePh2)2, MoCl2(O)2dppmO2·C4H10O, WCl2(O)2dppmO2, Mo(O)(O2)2dppmO2, and W(O)(O2)2dppmO2","Inorganic Chemistry","2006","45","25","10391","10402","10.1021/ic061455d","","x-ray","0.71073","MoKα","","0.0693","0.0326","","","0.0685","0.0798","","","","","","1.032","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333121","9.322","0.003","17.429","0.004","17.879","0.005","90","","105.17","0.03","90","","2803.6","1.4","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 O5 P2 W -","- C26 H26 Cl2 O5 P2 W -","- C104 H104 Cl8 O20 P8 W4 -","4","1","","Jimtaisong, Ampa; Luck, Rudy L.","Synthesis and Catalytic Epoxidation Activity with TBHP and H2O2of Dioxo-, Oxoperoxo-, and Oxodiperoxo Molybdenum(VI) and Tungsten(VI) Compounds Containing Monodentate or Bidentate Phosphine Oxide Ligands: Crystal Structures of WCl2(O)2(OPMePh2)2, WCl2(O)(O2)(OPMePh2)2, MoCl2(O)2dppmO2·C4H10O, WCl2(O)2dppmO2, Mo(O)(O2)2dppmO2, and W(O)(O2)2dppmO2","Inorganic Chemistry","2006","45","25","10391","10402","10.1021/ic061455d","","x-ray","0.71073","MoKα","","0.1002","0.0572","","","0.1306","0.1534","","","","","","1.099","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333122","11.141","0.002","14.41","0.003","18.474","0.004","90","","92.76","0.02","90","","2962.4","1","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 Cl2 Mo O5 P2 -","- C26.75 H22 Cl2 Mo O4.5 P2 -","- C107 H88 Cl8 Mo4 O18 P8 -","4","1","","Jimtaisong, Ampa; Luck, Rudy L.","Synthesis and Catalytic Epoxidation Activity with TBHP and H2O2of Dioxo-, Oxoperoxo-, and Oxodiperoxo Molybdenum(VI) and Tungsten(VI) Compounds Containing Monodentate or Bidentate Phosphine Oxide Ligands: Crystal Structures of WCl2(O)2(OPMePh2)2, WCl2(O)(O2)(OPMePh2)2, MoCl2(O)2dppmO2·C4H10O, WCl2(O)2dppmO2, Mo(O)(O2)2dppmO2, and W(O)(O2)2dppmO2","Inorganic Chemistry","2006","45","25","10391","10402","10.1021/ic061455d","","x-ray","0.71069","MoKα","","0.1022","0.0869","","","0.2327","0.2481","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333123","19.268","0.002","19.268","0.004","28.587","0.004","90","","90","","90","","10613","3","293","2","293","2","","","","","","","synthesis as described","6","I 41","I 4bw","80","","","","- C100 H88 Cl8 O16 P8 W4 -","- C100 H88 Cl8 O16 P8 W4 -","- C400 H352 Cl32 O64 P32 W16 -","4","0.5","","Jimtaisong, Ampa; Luck, Rudy L.","Synthesis and Catalytic Epoxidation Activity with TBHP and H2O2of Dioxo-, Oxoperoxo-, and Oxodiperoxo Molybdenum(VI) and Tungsten(VI) Compounds Containing Monodentate or Bidentate Phosphine Oxide Ligands: Crystal Structures of WCl2(O)2(OPMePh2)2, WCl2(O)(O2)(OPMePh2)2, MoCl2(O)2dppmO2·C4H10O, WCl2(O)2dppmO2, Mo(O)(O2)2dppmO2, and W(O)(O2)2dppmO2","Inorganic Chemistry","2006","45","25","10391","10402","10.1021/ic061455d","","x-ray","0.71069","MoKα","","0.0564","0.0379","","","0.0916","0.099","","","","","","1.028","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333124","13.519","0.002","10.978","0.003","17.159","0.003","90","","96.3","0.01","90","","2531.2","0.9","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Mo O7 P2 -","- C25 H22 Mo O7 P2 -","- C100 H88 Mo4 O28 P8 -","4","1","","Jimtaisong, Ampa; Luck, Rudy L.","Synthesis and Catalytic Epoxidation Activity with TBHP and H2O2of Dioxo-, Oxoperoxo-, and Oxodiperoxo Molybdenum(VI) and Tungsten(VI) Compounds Containing Monodentate or Bidentate Phosphine Oxide Ligands: Crystal Structures of WCl2(O)2(OPMePh2)2, WCl2(O)(O2)(OPMePh2)2, MoCl2(O)2dppmO2·C4H10O, WCl2(O)2dppmO2, Mo(O)(O2)2dppmO2, and W(O)(O2)2dppmO2","Inorganic Chemistry","2006","45","25","10391","10402","10.1021/ic061455d","","x-ray","0.71073","MoKα","","0.1276","0.0669","","","0.1312","0.1509","","","","","","1.116","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333125","13.479","0.003","10.99","0.002","17.278","0.005","90","","96.44","0.02","90","","2543.3","1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O7 P2 W -","- C25 H22 O7 P2 W -","- C100 H88 O28 P8 W4 -","4","1","","Jimtaisong, Ampa; Luck, Rudy L.","Synthesis and Catalytic Epoxidation Activity with TBHP and H2O2of Dioxo-, Oxoperoxo-, and Oxodiperoxo Molybdenum(VI) and Tungsten(VI) Compounds Containing Monodentate or Bidentate Phosphine Oxide Ligands: Crystal Structures of WCl2(O)2(OPMePh2)2, WCl2(O)(O2)(OPMePh2)2, MoCl2(O)2dppmO2·C4H10O, WCl2(O)2dppmO2, Mo(O)(O2)2dppmO2, and W(O)(O2)2dppmO2","Inorganic Chemistry","2006","45","25","10391","10402","10.1021/ic061455d","","x-ray","0.71073","MoKα","","0.1524","0.0595","","","0.0939","0.1125","","","","","","1.12","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333126","11.0438","0.0002","15.8352","0.0002","19.5662","0.0004","77.481","0.001","74.231","0.001","71.171","0.001","3085.31","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H82 F18 Fe9 N12 O33 S6 -","- C16 H82 F18 Fe9 N12 O33 S6 -","- C32 H164 F36 Fe18 N24 O66 S12 -","2","1","","Behera, J. N.; Rao, C. N. R.","Synthesis and Magnetic Properties of an Amine-Templated Fe2+(S= 2) Sulfate with a Distorted Kagome Structure","Inorganic Chemistry","2006","45","23","9475","9479","10.1021/ic061457y","","","0.71073","MoKα","","0.1112","0.0642","","","0.1766","0.2129","","","","","","0.906","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333127","9.1789","0.001","9.7628","0.0011","13.0987","0.0014","84.688","0.001","72.951","0.002","89.795","0.001","1117.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H23 Cl F6 N3 P Ru -","- C21 H23 Cl F6 N3 P Ru -","- C42 H46 Cl2 F12 N6 P2 Ru2 -","2","1","","Dougan, Sarah J.; Melchart, Michael; Habtemariam, Abraha; Parsons, Simon; Sadler, Peter J.","Phenylazo-pyridine and Phenylazo-pyrazole Chlorido Ruthenium(II) Arene Complexes: Arene Loss, Aquation, and Cancer Cell Cytotoxicity","Inorganic Chemistry","2006","45","26","10882","10894","10.1021/ic061460h","","","0.71073","MoKα","","0.0369","0.035","","","0.0859","0.0872","","","","","","1.143","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333128","10.244","0.003","35.857","0.009","10.438","0.003","90","","110.29","0.02","90","","3596.2","1.8","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","dodecacarbonyltetra-μ-hydro(μ-pyridazine-κN1:κN2)bis(pyridazine- κN1)tetrarhenium","","- C25 H18 Cl2 N6 O12 Re4 -","- C25 H18 Cl2 N6 O12 Re4 -","- C100 H72 Cl8 N24 O48 Re16 -","4","1","","Panigati, Monica; Donghi, Daniela; D'Alfonso, Giuseppe; Mercandelli, Pierluigi; Sironi, Angelo; D'Alfonso, Laura","Luminescent Hydrido-Carbonyl Clusters of Rhenium Containing Bridging 1,2-Diazine Ligands","Inorganic Chemistry","2006","45","26","10909","10921","10.1021/ic061467z","","","0.71073","MoKα","","0.0327","0.0296","","","0.0784","0.0802","","","","","","1.01","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333129","38.445","0.005","13.365","0.002","24.569","0.003","90","","128.62","0.02","90","","9863","4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dodecacarbonyltetra-μ-hydrido(μ-phthalazine-κN2:κN3)bis(phthalazine- κN2)tetrarhenium dichloromethane solvate","","- C39 H28 Cl6 N6 O12 Re4 -","- C36 H22 N6 O12 Re4 -","- C288 H176 N48 O96 Re32 -","8","1","","Panigati, Monica; Donghi, Daniela; D'Alfonso, Giuseppe; Mercandelli, Pierluigi; Sironi, Angelo; D'Alfonso, Laura","Luminescent Hydrido-Carbonyl Clusters of Rhenium Containing Bridging 1,2-Diazine Ligands","Inorganic Chemistry","2006","45","26","10909","10921","10.1021/ic061467z","","","0.71073","MoKα","","0.0445","0.0256","","","0.0564","0.0609","","","","","","1.034","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333130","5.675","0.002","15.81","0.006","7.963","0.003","90","","98.94","0.02","90","","705.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexacarbonyldi-μ-hydro(μ-pyridazine-κN1:κN2)dirhenium","","- C10 H6 N2 O6 Re2 -","- C10 H6 N2 O6 Re2 -","- C20 H12 N4 O12 Re4 -","2","0.5","","Panigati, Monica; Donghi, Daniela; D'Alfonso, Giuseppe; Mercandelli, Pierluigi; Sironi, Angelo; D'Alfonso, Laura","Luminescent Hydrido-Carbonyl Clusters of Rhenium Containing Bridging 1,2-Diazine Ligands","Inorganic Chemistry","2006","45","26","10909","10921","10.1021/ic061467z","","","0.71073","MoKα","","0.0274","0.0244","","","0.0578","0.0609","","","","","","1.243","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333131","15.577","0.003","16.197","0.003","12.805","0.003","90","","90","","90","","3230.7","1.1","295","2","295","2","","","","","","","","5","C m c e","-C 2ac 2","64","","hexacarbonyldi-μ-hydro(μ-phthalazine-κN2:κN3)dirhenium","","- C14 H8 N2 O6 Re2 -","- C14 H8 N2 O6 Re2 -","- C112 H64 N16 O48 Re16 -","8","0.5","","Panigati, Monica; Donghi, Daniela; D'Alfonso, Giuseppe; Mercandelli, Pierluigi; Sironi, Angelo; D'Alfonso, Laura","Luminescent Hydrido-Carbonyl Clusters of Rhenium Containing Bridging 1,2-Diazine Ligands","Inorganic Chemistry","2006","45","26","10909","10921","10.1021/ic061467z","","","0.71073","MoKα","","0.0458","0.0236","","","0.0457","0.0497","","","","","","0.958","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4333132","8.354","0.004","16.312","0.008","10.512","0.005","90","","109.04","0.02","90","","1354.1","1.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dodecacarbonyltetra-μ-hydrobis(μ-pyridazine-κN1:κN2)tetrarhenium","","- C20 H12 N4 O12 Re4 -","- C20 H12 N4 O12 Re4 -","- C40 H24 N8 O24 Re8 -","2","0.5","","Panigati, Monica; Donghi, Daniela; D'Alfonso, Giuseppe; Mercandelli, Pierluigi; Sironi, Angelo; D'Alfonso, Laura","Luminescent Hydrido-Carbonyl Clusters of Rhenium Containing Bridging 1,2-Diazine Ligands","Inorganic Chemistry","2006","45","26","10909","10921","10.1021/ic061467z","","","0.71073","MoKα","","0.017","0.0169","","","0.0424","0.0425","","","","","","1.34","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333133","10.858","0.003","9.76","0.003","17.527","0.005","90","","98.84","0.02","90","","1835.3","0.9","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","dodecacarbonyltetra-μ-hydrobis(μ-phthalazine-κN2:κN3)tetrarhenium dichloromethane solvate","","- C29 H18 Cl2 N4 O12 Re4 -","- C28 H16 N4 O12 Re4 -","- C56 H32 N8 O24 Re8 -","2","0.5","","Panigati, Monica; Donghi, Daniela; D'Alfonso, Giuseppe; Mercandelli, Pierluigi; Sironi, Angelo; D'Alfonso, Laura","Luminescent Hydrido-Carbonyl Clusters of Rhenium Containing Bridging 1,2-Diazine Ligands","Inorganic Chemistry","2006","45","26","10909","10921","10.1021/ic061467z","","","0.71073","MoKα","","0.0563","0.0335","","","0.0709","0.075","","","","","","0.889","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333134","18.161","0.005","20.026","0.006","15.861","0.005","90","","96.661","0.005","90","","5730","3","158","2","158","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H92 Ce2 N2 O2 -","- C61.96 H76 Ce2 N2 O2 -","- C247.84 H304 Ce8 N8 O8 -","4","0.5","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Synthesis, Structure, and15N NMR Studies of Paramagnetic Lanthanide Complexes Obtained by Reduction of Dinitrogen","Inorganic Chemistry","2006","45","26","10790","10798","10.1021/ic061485g","","","0.71073","MoKα","","0.0666","0.0456","","","0.1162","0.1318","","","","","","1.041","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333135","18.1582","0.0019","19.943","0.002","15.8519","0.0016","90","","97.072","0.002","90","","5696.8","1","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H92 N2 O2 Pr2 -","- C62 H76 N2 O2 Pr2 -","- C248 H304 N8 O8 Pr8 -","4","0.5","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Synthesis, Structure, and15N NMR Studies of Paramagnetic Lanthanide Complexes Obtained by Reduction of Dinitrogen","Inorganic Chemistry","2006","45","26","10790","10798","10.1021/ic061485g","","","0.71073","MoKα","","0.0631","0.0451","","","0.1098","0.1229","","","","","","1.068","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333136","15.7088","0.0006","15.7088","0.0006","16.4763","0.0012","90","","90","","120","","3521.1","0.3","163","2","163","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H39 Ce -","- C27 H39 Ce -","- C162 H234 Ce6 -","6","0.333333","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Synthesis, Structure, and15N NMR Studies of Paramagnetic Lanthanide Complexes Obtained by Reduction of Dinitrogen","Inorganic Chemistry","2006","45","26","10790","10798","10.1021/ic061485g","","","0.71073","MoKα","","0.0193","0.0161","","","0.0379","0.0395","","","","","","1.121","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333137","15.6697","0.0006","15.6697","0.0006","16.4894","0.0011","90","","90","","120","","3506.4","0.3","163","2","163","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H39 Pr -","- C27 H39 Pr -","- C162 H234 Pr6 -","6","0.333333","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Synthesis, Structure, and15N NMR Studies of Paramagnetic Lanthanide Complexes Obtained by Reduction of Dinitrogen","Inorganic Chemistry","2006","45","26","10790","10798","10.1021/ic061485g","","","0.71073","MoKα","","0.0145","0.0128","","","0.0304","0.0315","","","","","","1.211","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333138","15.3013","0.0013","14.1562","0.0012","25.765","0.002","90","","104.115","0.001","90","","5412.4","0.8","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H84 Ce2 N2 O2 -","- C58 H84 Ce2 N2 O2 -","- C232 H336 Ce8 N8 O8 -","4","0.5","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Synthesis, Structure, and15N NMR Studies of Paramagnetic Lanthanide Complexes Obtained by Reduction of Dinitrogen","Inorganic Chemistry","2006","45","26","10790","10798","10.1021/ic061485g","","","0.71073","MoKα","","0.0563","0.037","","","0.0878","0.1001","","","","","","1.077","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333139","15.3137","0.0018","14.1046","0.0017","12.8773","0.0015","90","","104.177","0.002","90","","2696.7","0.6","163","2","163","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C58 H84 N2 O2 Pr2 -","- C58 H82 N2 O2 Pr2 -","- C116 H164 N4 O4 Pr4 -","2","0.5","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Synthesis, Structure, and15N NMR Studies of Paramagnetic Lanthanide Complexes Obtained by Reduction of Dinitrogen","Inorganic Chemistry","2006","45","26","10790","10798","10.1021/ic061485g","","","0.71073","MoKα","","0.0415","0.0366","","","0.0899","0.0964","","","","","","1.136","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333140","11.4716","0.0006","11.4716","0.0006","14.2381","0.0015","90","","90","","90","","1873.7","0.2","163","2","163","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- C40 H60 Ce2 O -","- C40 H60 Ce2 O -","- C80 H120 Ce4 O2 -","2","0.125","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Synthesis, Structure, and15N NMR Studies of Paramagnetic Lanthanide Complexes Obtained by Reduction of Dinitrogen","Inorganic Chemistry","2006","45","26","10790","10798","10.1021/ic061485g","","","0.71073","MoKα","","0.0198","0.017","","","0.0402","0.0417","","","","","","1.112","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333141","14.0999","0.0004","15.3464","0.0004","19.5","0.0004","76.711","0.005","71.688","0.005","88.545","0.005","3893.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 Cr O15 S16 Se16 -","- C53 H37 Cr O15 S16 Se16 -","- C106 H74 Cr2 O30 S32 Se32 -","2","1","","Coronado, Eugenio; Curreli, Simona; Giménez-Saiz, Carlos; Gómez-García, Carlos J.; Alberola, Antonio","Radical Salts of Bis(ethylenediseleno)tetrathiafulvalene with Paramagnetic Tris(oxalato)metalate Anions","Inorganic Chemistry","2006","45","26","10815","10824","10.1021/ic061494p","","","0.71073","MoKα","","0.1195","0.0598","","","0.1368","0.1601","","","","","","0.927","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333142","14.0326","0.0003","15.1981","0.0004","19.4106","0.0004","76.739","0.005","71.938","0.005","88.845","0.005","3824.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 Fe O15 S16 Se16 -","- C53 H37 Fe O15 S16 Se16 -","- C106 H74 Fe2 O30 S32 Se32 -","2","1","","Coronado, Eugenio; Curreli, Simona; Giménez-Saiz, Carlos; Gómez-García, Carlos J.; Alberola, Antonio","Radical Salts of Bis(ethylenediseleno)tetrathiafulvalene with Paramagnetic Tris(oxalato)metalate Anions","Inorganic Chemistry","2006","45","26","10815","10824","10.1021/ic061494p","","","0.71073","MoKα","","0.1428","0.0688","","","0.1656","0.1929","","","","","","0.93","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333143","33.748","0.001","12.3151","0.0007","8.8218","0.0005","90","","99.674","0.005","90","","3614.3","0.3","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H35 Cr O13.5 S16 Se16 -","- C46 H32 Cr O13.5 S16 Se16 -","- C92 H64 Cr2 O27 S32 Se32 -","2","0.25","","Coronado, Eugenio; Curreli, Simona; Giménez-Saiz, Carlos; Gómez-García, Carlos J.; Alberola, Antonio","Radical Salts of Bis(ethylenediseleno)tetrathiafulvalene with Paramagnetic Tris(oxalato)metalate Anions","Inorganic Chemistry","2006","45","26","10815","10824","10.1021/ic061494p","","","0.71069","MoKα","","0.1199","0.0817","","","0.2429","0.2744","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333144","12.6993","0.0003","18.7564","0.0004","18.7675","0.0004","75.649","0.005","107.178","0.005","79.527","0.005","3977.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H86 Fe2 O31 S36 Se36 -","- C102 H72 Fe2 O31 S36 Se36 -","- C102 H72 Fe2 O31 S36 Se36 -","1","0.5","","Coronado, Eugenio; Curreli, Simona; Giménez-Saiz, Carlos; Gómez-García, Carlos J.; Alberola, Antonio","Radical Salts of Bis(ethylenediseleno)tetrathiafulvalene with Paramagnetic Tris(oxalato)metalate Anions","Inorganic Chemistry","2006","45","26","10815","10824","10.1021/ic061494p","","","0.71073","MoKα","","0.1425","0.0684","","","0.1769","0.213","","","","","","1.017","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333145","4.8285","0.0002","15.2998","0.0008","10.2753","0.0006","90","","102.077","0.003","90","","742.29","0.07","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 F12 Pt S4 -","- C8 F12 Pt S4 -","- C16 F24 Pt2 S8 -","2","0.5","","Kogut, Elzbieta; Tang, Joel A.; Lough, Alan J.; Widdifield, Cory M.; Schurko, Robert W.; Fekl, Ulrich","Neutral High-Potential Nickel Triad Bisdithiolenes: Structure and Solid-State NMR Properties of Pt[S2C2(CF3)2]2","Inorganic Chemistry","2006","45","22","8850","8852","10.1021/ic0614972","","","0.71073","MoKα","","0.0448","0.0317","","","0.0783","0.0872","","","","","","1.027","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333146","56.51","0.009","13.0727","0.0018","23.723","0.004","90","","104.314","0.019","90","","16981","5","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C146 H82 Cl24 N16 O5 Ru4 -","- C154.536 H82 Cl24 N16 O7.11 Ru4 -","- C618.144 H328 Cl96 N64 O28.44 Ru16 -","4","0.5","","Chen, Wei-Zhong; Ren, Tong","Symmetric and Unsymmetric “Dumbbells” of Ru2−Alkynyl Units via C−C Bond Formation Reactions","Inorganic Chemistry","2006","45","23","9175","9177","10.1021/ic061511a","","","0.71073","MoKα","","0.1362","0.0716","","","0.1868","0.2178","","","","","","1.037","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333147","11.8398","0.001","11.8284","0.0007","31.099","0.003","90","","90","","90","","4355.3","0.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H52 Mn2 N12 Sb4 Se9 -","- C16 H52 Mn2 N12 Sb4 Se9 -","- C64 H208 Mn8 N48 Sb16 Se36 -","4","1","","Jia, Dingxian; Zhang, Yong; Zhao, Qianxin; Deng, Jie","Mixed-Valent Selenidoantimonates(III,V) with Transition-Metal Complexes as Counterions: Solvothermal Syntheses and Characterization of [M(dien)2]2Sb4Se9(M = Mn, Fe), [Co(dien)2]2Sb2Se6, and [Ni(dien)2]2Sb2Se5","Inorganic Chemistry","2006","45","24","9812","9817","10.1021/ic061520j","","","0.71073","MoKα","","0.0442","0.0406","","","0.0896","0.0915","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333148","9.8063","0.0012","14.4563","0.0018","12.8319","0.0012","90","","90.585","0.004","90","","1819","0.4","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H52 Co2 N12 Sb2 Se6 -","- C16 H52 Co2 N12 Sb2 Se6 -","- C32 H104 Co4 N24 Sb4 Se12 -","2","1","","Jia, Dingxian; Zhang, Yong; Zhao, Qianxin; Deng, Jie","Mixed-Valent Selenidoantimonates(III,V) with Transition-Metal Complexes as Counterions: Solvothermal Syntheses and Characterization of [M(dien)2]2Sb4Se9(M = Mn, Fe), [Co(dien)2]2Sb2Se6, and [Ni(dien)2]2Sb2Se5","Inorganic Chemistry","2006","45","24","9812","9817","10.1021/ic061520j","","","0.71073","MoKα","","0.0351","0.0317","","","0.0655","0.0675","","","","","","1.072","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333149","9.2322","0.0016","14.604","0.002","12.989","0.002","90","","90.558","0.005","90","","1751.2","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H52 N12 Ni2 Sb2 Se5 -","- C16 H52 N12 Ni2 Sb2 Se5 -","- C32 H104 N24 Ni4 Sb4 Se10 -","2","0.5","","Jia, Dingxian; Zhang, Yong; Zhao, Qianxin; Deng, Jie","Mixed-Valent Selenidoantimonates(III,V) with Transition-Metal Complexes as Counterions: Solvothermal Syntheses and Characterization of [M(dien)2]2Sb4Se9(M = Mn, Fe), [Co(dien)2]2Sb2Se6, and [Ni(dien)2]2Sb2Se5","Inorganic Chemistry","2006","45","24","9812","9817","10.1021/ic061520j","","","0.71073","MoKα","","0.0493","0.0403","","","0.0794","0.0834","","","","","","1.121","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333150","11.8107","0.0008","11.6077","0.0008","31.955","0.002","90","","95.42","0.002","90","","4361.3","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H52 Fe2 N12 Sb4 Se9 -","- C16 H45 Fe2 N12 Sb4 Se9 -","- C64 H180 Fe8 N48 Sb16 Se36 -","4","1","","Jia, Dingxian; Zhang, Yong; Zhao, Qianxin; Deng, Jie","Mixed-Valent Selenidoantimonates(III,V) with Transition-Metal Complexes as Counterions: Solvothermal Syntheses and Characterization of [M(dien)2]2Sb4Se9(M = Mn, Fe), [Co(dien)2]2Sb2Se6, and [Ni(dien)2]2Sb2Se5","Inorganic Chemistry","2006","45","24","9812","9817","10.1021/ic061520j","","","0.71073","MoKα","","0.0622","0.0497","","","0.0978","0.1032","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333151","8.6127","0.0003","27.0926","0.001","29.4857","0.0011","90","","90","","90","","6880.2","0.4","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H19 Fe O4 P Se -","- C13 H19 Fe O4 P Se -","- C208 H304 Fe16 O64 P16 Se16 -","16","2","","Liu, C. W.; Chen, Jem-Min; Santra, Bidyut Kumar; Wen, Sung-Yin; Liaw, Ben-Jie; Wang, Ju-Chun","Novel Metalloreagent Cp(CO)2FeP(Se)(OR)2Produced from P−Se Bond Cleavage in the Thermal Reaction of [CpFe(CO)2]2with Phosphor-1,1-diselenolates","Inorganic Chemistry","2006","45","22","8820","8822","10.1021/ic061538u","","","0.71073","MoKα","","0.1227","0.0425","","","0.0865","0.1109","","","","","","0.971","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333152","16.192","0.004","14.729","0.003","25.366","0.006","90","","95.591","0.005","90","","6021","2","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H59 Cd Cl2 Fe3 O21 P3 Se3 -","- C39 H57 Cd Cl2 Fe3 O21 P3 Se3 -","- C156 H228 Cd4 Cl8 Fe12 O84 P12 Se12 -","4","1","","Liu, C. W.; Chen, Jem-Min; Santra, Bidyut Kumar; Wen, Sung-Yin; Liaw, Ben-Jie; Wang, Ju-Chun","Novel Metalloreagent Cp(CO)2FeP(Se)(OR)2Produced from P−Se Bond Cleavage in the Thermal Reaction of [CpFe(CO)2]2with Phosphor-1,1-diselenolates","Inorganic Chemistry","2006","45","22","8820","8822","10.1021/ic061538u","","","0.71073","MoKα","","0.0693","0.0444","","","0.1078","0.12","","","","","","1.016","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333153","20.5872","0.0009","20.5872","0.0009","26.0086","0.0017","90","","90","","90","","11023.3","1","293","2","293","2","","","","","","","","8","P 42/n b c :2","-P 4ac 2b","133","","","","- C27 H42 Fe2 Hg3 I6 O9 P2 Se2 -","- C27 H38 Fe2 Hg3 I6 O9 P2 Se2 -","- C216 H304 Fe16 Hg24 I48 O72 P16 Se16 -","8","0.5","","Liu, C. W.; Chen, Jem-Min; Santra, Bidyut Kumar; Wen, Sung-Yin; Liaw, Ben-Jie; Wang, Ju-Chun","Novel Metalloreagent Cp(CO)2FeP(Se)(OR)2Produced from P−Se Bond Cleavage in the Thermal Reaction of [CpFe(CO)2]2with Phosphor-1,1-diselenolates","Inorganic Chemistry","2006","45","22","8820","8822","10.1021/ic061538u","","","0.71073","MoKα","","0.0621","0.0264","","","0.0706","0.0743","","","","","","0.853","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333154","8.1259","0.0001","8.1259","","17.4953","0.0002","90","","90","","90","","1155.22","0.019","","","298","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","potassium orthoselenate(VI)","","","- K6 O9 Se2 -","- K6 O9 Se2 -","- K24 O36 Se8 -","4","0.5","","Orosel, Denis; Dinnebier, Robert; Jansen, Martin","High-Pressure Synthesis and Structure Determination of K6(SeO4)(SeO5), the First Potassium Orthoselenate(VI)","Inorganic Chemistry","2006","45","26","10947","10950","10.1021/ic061548v","powder diffraction","x-ray","0.64895","","","","","","","","","0.07964","","1.48","","","","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333155","9.3204","0.0007","11.9915","0.0009","12.1553","0.0009","73.676","0.001","83.694","0.001","77.613","0.001","1271.65","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H20 F2 N4 O -","- C31 H20 F2 N4 O -","- C62 H40 F4 N8 O2 -","2","1","","He, Ze; Wong, Wai-Yeung; Yu, Xiaoming; Kwok, Hoi-Sing; Lin, Zhenyang","Phosphorescent Platinum(II) Complexes Derived from Multifunctional Chromophores: Synthesis, Structures, Photophysics, and Electroluminescence","Inorganic Chemistry","2006","45","26","10922","10937","10.1021/ic061566c","","","0.71073","MoKα","","0.0932","0.048","","","0.1292","0.1586","","","","","","0.996","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333156","12.5305","0.0007","16.5828","0.0009","18.2259","0.001","68.083","0.001","87.436","0.001","81.322","0.001","3473","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H28 Cl2 F2 N4 O3 Pt -","- C37 H28 Cl2 F2 N4 O3 Pt -","- C148 H112 Cl8 F8 N16 O12 Pt4 -","4","2","","He, Ze; Wong, Wai-Yeung; Yu, Xiaoming; Kwok, Hoi-Sing; Lin, Zhenyang","Phosphorescent Platinum(II) Complexes Derived from Multifunctional Chromophores: Synthesis, Structures, Photophysics, and Electroluminescence","Inorganic Chemistry","2006","45","26","10922","10937","10.1021/ic061566c","","","0.71073","MoKα","","0.1018","0.0469","","","0.093","0.1131","","","","","","0.953","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333157","19.827","0.009","13.692","0.006","11.835","0.006","90","","97.041","0.01","90","","3189","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 O4 Pt -","- C36 H28 N4 O4 Pt -","- C144 H112 N16 O16 Pt4 -","4","1","","He, Ze; Wong, Wai-Yeung; Yu, Xiaoming; Kwok, Hoi-Sing; Lin, Zhenyang","Phosphorescent Platinum(II) Complexes Derived from Multifunctional Chromophores: Synthesis, Structures, Photophysics, and Electroluminescence","Inorganic Chemistry","2006","45","26","10922","10937","10.1021/ic061566c","","","0.71073","MoKα","","0.1308","0.0603","","","0.1329","0.1651","","","","","","0.925","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333158","9.9455","0.0006","13.5126","0.0008","14.3504","0.0008","105.207","0.001","103.146","0.001","90.155","0.001","1808.25","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 Cl2 N4 O3 Pt -","- C39 H34 Cl2 N4 O3 Pt -","- C78 H68 Cl4 N8 O6 Pt2 -","2","1","","He, Ze; Wong, Wai-Yeung; Yu, Xiaoming; Kwok, Hoi-Sing; Lin, Zhenyang","Phosphorescent Platinum(II) Complexes Derived from Multifunctional Chromophores: Synthesis, Structures, Photophysics, and Electroluminescence","Inorganic Chemistry","2006","45","26","10922","10937","10.1021/ic061566c","","","0.71073","MoKα","","0.0267","0.0227","","","0.0566","0.059","","","","","","1.031","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333159","10.8475","0.0004","18.5133","0.0007","19.3","0.0008","102.646","0.001","100.284","0.001","93.157","0.001","3703.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 Cl2 N4 O5 Pt -","- C39 H34 Cl2 N4 O5 Pt -","- C156 H136 Cl8 N16 O20 Pt4 -","4","2","","He, Ze; Wong, Wai-Yeung; Yu, Xiaoming; Kwok, Hoi-Sing; Lin, Zhenyang","Phosphorescent Platinum(II) Complexes Derived from Multifunctional Chromophores: Synthesis, Structures, Photophysics, and Electroluminescence","Inorganic Chemistry","2006","45","26","10922","10937","10.1021/ic061566c","","","0.71073","MoKα","","0.0459","0.034","","","0.0899","0.0969","","","","","","1.012","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333160","13.4384","0.0007","9.5829","0.0005","18.3541","0.001","90","","103.266","0.001","90","","2300.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O2 Pt -","- C28 H24 N2 O2 Pt -","- C112 H96 N8 O8 Pt4 -","4","1","","He, Ze; Wong, Wai-Yeung; Yu, Xiaoming; Kwok, Hoi-Sing; Lin, Zhenyang","Phosphorescent Platinum(II) Complexes Derived from Multifunctional Chromophores: Synthesis, Structures, Photophysics, and Electroluminescence","Inorganic Chemistry","2006","45","26","10922","10937","10.1021/ic061566c","","","0.71073","MoKα","","0.0592","0.0304","","","0.0561","0.0647","","","","","","1.039","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333161","24.5142","0.0017","4.9526","0.0003","34.174","0.002","90","","90","","90","","4149","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H19 N3 O3 Pt -","- C24 H19 N3 O3 Pt -","- C192 H152 N24 O24 Pt8 -","8","2","","He, Ze; Wong, Wai-Yeung; Yu, Xiaoming; Kwok, Hoi-Sing; Lin, Zhenyang","Phosphorescent Platinum(II) Complexes Derived from Multifunctional Chromophores: Synthesis, Structures, Photophysics, and Electroluminescence","Inorganic Chemistry","2006","45","26","10922","10937","10.1021/ic061566c","","","0.71073","MoKα","","0.0778","0.0453","","","0.0965","0.1105","","","","","","0.99","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333162","11.6122","0.0008","11.6122","0.0008","13.181","0.001","90","","90","","120","","1539.25","0.19","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","Triphenylsiloxy(tri-tert-butylphosphine)copper(I)","","- C30 H42 Cu O P Si -","- C30 H42 Cu O P Si -","- C60 H84 Cu2 O2 P2 Si2 -","2","0.333333","","Medina, Iliana; Jacobsen, Heiko; Mague, Joel T.; Fink, Mark J.","Dicoordinate Copper(I) Silanechalcogenolates","Inorganic Chemistry","2006","45","22","8844","8846","10.1021/ic061579q","","","0.71073","MoKα","","0.0815","0.076","","","0.1961","0.2008","","","","","","1.127","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333163","10.4907","0.0008","13.26","0.001","21.23","0.002","90","","97.22","0.001","90","","2929.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tri(tert-butyl)phosphine(triphenylsilylthiolato) copper(I)","","- C30 H42 Cu P S Si -","- C30 H42 Cu P S Si -","- C120 H168 Cu4 P4 S4 Si4 -","4","1","","Medina, Iliana; Jacobsen, Heiko; Mague, Joel T.; Fink, Mark J.","Dicoordinate Copper(I) Silanechalcogenolates","Inorganic Chemistry","2006","45","22","8844","8846","10.1021/ic061579q","","","0.71073","MoKα","","0.0773","0.0692","","","0.1831","0.1909","","","","","","1.067","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333164","10.54","0.0008","13.356","0.001","21.258","0.002","90","","97.072","0.001","90","","2969.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triphenylsilylselenolato(tri(tert-butyl)phosphine) copper(I)","","- C30 H42 Cu P Se Si -","- C30 H42 Cu P Se Si -","- C120 H168 Cu4 P4 Se4 Si4 -","4","1","","Medina, Iliana; Jacobsen, Heiko; Mague, Joel T.; Fink, Mark J.","Dicoordinate Copper(I) Silanechalcogenolates","Inorganic Chemistry","2006","45","22","8844","8846","10.1021/ic061579q","","","0.71073","MoKα","","0.0627","0.0547","","","0.1424","0.1495","","","","","","1.045","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333165","13.65","0.0006","13.65","0.0006","13.6565","0.0011","90","","90","","120","","2203.6","0.2","150","1","150","1","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C6 H4 B N6 Na S6 -","- C6 H4 B N6 Na S6 -","- C36 H24 B6 N36 Na6 S36 -","6","1","","Silva, Rosalice M.; Gwengo, Chengeto; Lindeman, Sergey V.; Smith, Mark D.; Gardinier, James R.","Janus Scorpionates: Supramolecular Tectons for the Directed Assembly of Hard−Soft Alkali Metallopolymer Chains","Inorganic Chemistry","2006","45","26","10998","11007","10.1021/ic0615877","","","0.71073","MoKα","","0.053","0.0479","","","0.0861","0.088","","","","","","1.004","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333166","15.0309","0.0008","13.7979","0.0008","8.628","0.0005","90","","90","","90","","1789.4","0.17","150","1","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H7 B K N7 S6 -","- C8 H7 B K N7 S6 -","- C32 H28 B4 K4 N28 S24 -","4","1","","Silva, Rosalice M.; Gwengo, Chengeto; Lindeman, Sergey V.; Smith, Mark D.; Gardinier, James R.","Janus Scorpionates: Supramolecular Tectons for the Directed Assembly of Hard−Soft Alkali Metallopolymer Chains","Inorganic Chemistry","2006","45","26","10998","11007","10.1021/ic0615877","","","0.71073","MoKα","","0.0281","0.0271","","","0.0674","0.0681","","","","","","1.033","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333167","11.7151","0.0015","11.7151","0.0015","14.239","0.003","90","","90","","120","","1692.4","0.5","150","1","150","1","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C12 H8 B2 K N12 Na S12 -","- C12 H8 B2 K0.99 N12 Na S12 -","- C24 H16 B4 K1.98 N24 Na2 S24 -","2","0.166667","","Silva, Rosalice M.; Gwengo, Chengeto; Lindeman, Sergey V.; Smith, Mark D.; Gardinier, James R.","Janus Scorpionates: Supramolecular Tectons for the Directed Assembly of Hard−Soft Alkali Metallopolymer Chains","Inorganic Chemistry","2006","45","26","10998","11007","10.1021/ic0615877","","","0.71073","MoKα","","0.0572","0.0343","","","0.0643","0.0693","","","","","","0.946","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333168","12.625","0.003","14.572","0.003","17.372","0.004","93.738","0.003","92.858","0.003","92.297","0.003","3182.2","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H41 B Cl N7 S6 -","- C22.4497 H40.728 B Cl1.0708 N7 S6 -","- C89.7988 H162.912 B4 Cl4.2832 N28 S24 -","4","2","","Silva, Rosalice M.; Gwengo, Chengeto; Lindeman, Sergey V.; Smith, Mark D.; Gardinier, James R.","Janus Scorpionates: Supramolecular Tectons for the Directed Assembly of Hard−Soft Alkali Metallopolymer Chains","Inorganic Chemistry","2006","45","26","10998","11007","10.1021/ic0615877","","","0.71073","MoKα","","0.088","0.0555","","","0.1385","0.1529","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333169","24.98","0.004","6.4802","0.001","21.104","0.003","90","","118.107","0.002","90","","3013.3","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H18 N8 Ni O2 S4 -","- C32 H18 N8 Ni O2 S4 -","- C128 H72 N32 Ni4 O8 S16 -","4","0.5","","Madhu, Vedichi; Das, Samar K.","A New Approach to Functionalize an Organic Compound through the Influence of Metal Bis(dithiolene) Complexes Leading to Ion-Pair Compounds Exhibiting Strong Emission at Room Temperature in the Visible Region","Inorganic Chemistry","2006","45","25","10037","10039","10.1021/ic0615980","","","0.71073","MoKα","","0.0671","0.0526","","","0.1226","0.131","","","","","","1.084","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333170","38.9762","0.0014","7.4408","0.0003","18.9276","0.0006","90","","104.423","0.002","90","","5316.3","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Me4N](Ni(II)(BEAAM))","","","- C23 H40 N4 Ni O2 S2 -","- C23 H40 N4 Ni O2 S2 -","- C184 H320 N32 Ni8 O16 S16 -","8","1","","Shearer, Jason; Zhao, Ningfeng","[Me4N](NiII(BEAAM)): A Synthetic Model for Nickel Superoxide Dismutase That Contains Ni in a Mixed Amine/Amide Coordination Environment","Inorganic Chemistry","2006","45","24","9637","9639","10.1021/ic061604s","","","0.71073","MoKα","","0.1226","0.0779","","","0.1795","0.1975","","","","","","1.045","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333171","7.5614","0.0013","13.812","0.003","15.969","0.003","92.233","0.003","92.176","0.003","103.673","0.003","1617.4","0.5","295","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H29 F6 N4 O3 P Ru S -","- C28 H23 F6 N4 O2 P Ru S -","- C56 H46 F12 N8 O4 P2 Ru2 S2 -","2","1","","Butcher, Jr., Dennis P.; Rachford, Aaron A.; Petersen, Jeffrey L.; Rack, Jeffrey J.","Phototriggered S →O Isomerization of a Ruthenium-Bound Chelating Sulfoxide","Inorganic Chemistry","2006","45","23","9178","9180","10.1021/ic061611g","","","0.71073","MoKα","","0.0697","0.047","","","0.1146","0.1225","","","","","","0.966","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333172","7.6509","0.0004","13.7707","0.0008","15.926","0.0009","92.779","0.001","93.312","0.001","104.249","0.001","1620.19","0.16","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H29 F6 N4 O4 P Ru S -","- C28 H23 F6 N4 O3 P Ru S -","- C56 H46 F12 N8 O6 P2 Ru2 S2 -","2","1","","Butcher, Jr., Dennis P.; Rachford, Aaron A.; Petersen, Jeffrey L.; Rack, Jeffrey J.","Phototriggered S →O Isomerization of a Ruthenium-Bound Chelating Sulfoxide","Inorganic Chemistry","2006","45","23","9178","9180","10.1021/ic061611g","","","0.71073","MoKα","","0.0466","0.04","","","0.1147","0.1187","","","","","","1.062","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333175","12.091","0.0003","12.091","0.0003","30.0744","0.0012","90","","90","","120","","3807.6","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C64 H58 N O9 Yb -","- C64 H58 N O9 Yb -","- C192 H174 N3 O27 Yb3 -","3","0.5","","Van Deun, Rik; Fias, Pascal; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Visible-Light-Sensitized Near-Infrared Luminescence from Rare-Earth Complexes of the 9-Hydroxyphenalen-1-one Ligand","Inorganic Chemistry","2006","45","26","10416","10418","10.1021/ic0616277","","","1.54178","CuKα","","0.0421","0.0385","","","0.0896","0.0909","","","","","","0.97","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333178","17.2449","0.0007","17.2449","0.0007","24.28","0.002","90","","90","","90","","7220.5","0.7","120","2","120","2","","","","","","","","7","I -4","I -4","82","","","","- C56 H90 Cl4 N4 Nb2 O P4 -","- C60.932 H98.68 Cl4 N4 Nb2 O3.528 P4 -","- C243.728 H394.72 Cl16 N16 Nb8 O14.112 P16 -","4","0.5","","Kilgore, Uriah J.; Yang, Xiaofan; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.","Activation of Atmospheric Nitrogen and Azobenzene NN Bond Cleavage by a Transient Nb(III) Complex","Inorganic Chemistry","2006","45","26","10712","10721","10.1021/ic061642b","","","0.71073","MoKα","","0.0832","0.0464","","","0.0836","0.0925","","","","","","0.815","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333179","11.6392","0.0013","9.6729","0.0011","13.1255","0.0014","90","","97.165","0.003","90","","1466.2","0.3","128","2","128","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H40 Cl3 N Nb P2 -","- C26 H40 Cl3 N Nb P2 -","- C52 H80 Cl6 N2 Nb2 P4 -","2","0.5","","Kilgore, Uriah J.; Yang, Xiaofan; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.","Activation of Atmospheric Nitrogen and Azobenzene NN Bond Cleavage by a Transient Nb(III) Complex","Inorganic Chemistry","2006","45","26","10712","10721","10.1021/ic061642b","","","0.71073","MoKα","","0.0456","0.0295","","","0.0577","0.0617","","","","","","0.887","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333180","17.3615","0.0019","9.5894","0.001","19.127","0.002","90","","95.152","0.003","90","","3171.5","0.6","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C29 H43 Cl4 N Nb P2 -","- C29 H43 Cl4 N Nb P2 -","- C116 H172 Cl16 N4 Nb4 P8 -","4","1","","Kilgore, Uriah J.; Yang, Xiaofan; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.","Activation of Atmospheric Nitrogen and Azobenzene NN Bond Cleavage by a Transient Nb(III) Complex","Inorganic Chemistry","2006","45","26","10712","10721","10.1021/ic061642b","","","0.71073","MoKα","","0.084","0.0395","","","0.0735","0.0836","","","","","","0.836","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333181","18.463","0.011","12.192","0.008","24.389","0.011","90","","99.902","0.019","90","","5408","5","173","2","95","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H78 Cl2 N3 Nb O3.5 P2 -","- C52 H78 Cl2 N3 Nb O3.5 P2 -","- C208 H312 Cl8 N12 Nb4 O14 P8 -","4","2","","Kilgore, Uriah J.; Yang, Xiaofan; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.","Activation of Atmospheric Nitrogen and Azobenzene NN Bond Cleavage by a Transient Nb(III) Complex","Inorganic Chemistry","2006","45","26","10712","10721","10.1021/ic061642b","","","0.49595","synchrotron","","0.1156","0.0898","","","0.2345","0.2587","","","","","","1.047","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4333182","13.0326","0.0004","13.2676","0.0004","20.8505","0.0007","90","","91.741","0.001","90","","3603.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 Mn N10 O3 W -","- C35 H28 Mn N10 O3.5 W -","- C140 H112 Mn4 N40 O14 W4 -","4","1","","Yoon, Jung Hee; Lim, Jeong Hak; Kim, Hyoung Chan; Hong, Chang Seop","Cyanide-Bridged Single-Molecule Magnet Constructed by an Octacoordinated [W(CN)6(bpy)]-Anion","Inorganic Chemistry","2006","45","24","9613","9615","10.1021/ic061651k","","","0.71073","MoKα","","0.0571","0.0318","","","0.0722","0.0786","","","","","","1.017","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333183","8.8017","0.0003","10.7152","0.0004","14.1133","0.0005","77.002","0.001","77.521","0.001","74.48","0.001","1232.31","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Co0.5 N8 O2 S2 W -","- C20 H14 Co0.5 N8 O2 S2 W -","- C40 H28 Co N16 O4 S4 W2 -","2","1","","Yoon, Jung Hee; Lim, Jeong Hak; Kim, Hyoung Chan; Hong, Chang Seop","Cyanide-Bridged Single-Molecule Magnet Constructed by an Octacoordinated [W(CN)6(bpy)]-Anion","Inorganic Chemistry","2006","45","24","9613","9615","10.1021/ic061651k","","","0.71073","MoKα","","0.0985","0.0484","","","0.1001","0.1166","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333184","17.385","0.003","18.976","0.004","12.221","0.002","90","","114.319","0.003","90","","3673.9","1.2","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H56 Cu4 N14 O40 Si W12 -","- C42 H56 Cu4 N14 O40 Si W12 -","- C84 H112 Cu8 N28 O80 Si2 W24 -","2","0.25","","Kong, Xiang-Jian; Ren, Yan-Ping; Zheng, Pei-Qing; Long, Yu-Xiang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Construction of Polyoxometalates-Based Coordination Polymers through Direct Incorporation between Polyoxometalates and the Voids in a 2D Network","Inorganic Chemistry","2006","45","26","10702","10711","10.1021/ic061664y","","","0.71073","MoKα","","0.0764","0.073","","","0.1468","0.1485","","","","","","1.207","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333185","17.74","0.005","22.157","0.006","22.245","0.006","90","","90","","90","","8744","4","173","2","173","2","","","","","","","","7","C c c m","-C 2 2c","66","","","","- C40 H76 Cu2 N8 O62 Si W12 -","- C40 H76 Cu2 N8 O62 Si W12 -","- C160 H304 Cu8 N32 O248 Si4 W48 -","4","0.25","","Kong, Xiang-Jian; Ren, Yan-Ping; Zheng, Pei-Qing; Long, Yu-Xiang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Construction of Polyoxometalates-Based Coordination Polymers through Direct Incorporation between Polyoxometalates and the Voids in a 2D Network","Inorganic Chemistry","2006","45","26","10702","10711","10.1021/ic061664y","","","0.71073","MoKα","","0.0536","0.0507","","","0.1004","0.1019","","","","","","1.141","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333186","20.225","0.003","20.225","0.003","23.057","0.006","90","","90","","120","","8168","3","123","2","123","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C22.5 H34 Cu3 Mo12 N9 O43.5 P -","- C22.5 H27 Cu3 Mo12 N9 O43.5 P -","- C135 H162 Cu18 Mo72 N54 O261 P6 -","6","0.166667","","Kong, Xiang-Jian; Ren, Yan-Ping; Zheng, Pei-Qing; Long, Yu-Xiang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Construction of Polyoxometalates-Based Coordination Polymers through Direct Incorporation between Polyoxometalates and the Voids in a 2D Network","Inorganic Chemistry","2006","45","26","10702","10711","10.1021/ic061664y","","","0.71073","MoKα","","0.048","0.0447","","","0.1324","0.1354","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333187","12.546","0.003","23.138","0.005","23.471","0.005","90","","90","","90","","6813","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H48 Ag4 N12 O40 Si W12 -","- C36 H48 Ag4 N12 O40 Si W12 -","- C144 H192 Ag16 N48 O160 Si4 W48 -","4","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Zheng, Pei-Qing; Long, Yu-Xiang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Construction of Polyoxometalates-Based Coordination Polymers through Direct Incorporation between Polyoxometalates and the Voids in a 2D Network","Inorganic Chemistry","2006","45","26","10702","10711","10.1021/ic061664y","","","0.71073","MoKα","","0.097","0.0965","","","0.2016","0.2018","","","","","","1.32","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333188","11.818","0.002","12.13","0.002","12.237","0.003","114.618","0.003","99.606","0.003","95.554","0.003","1545.1","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H28 Cu4 N12 O42 Si W12 -","- C24 H24 Cu4 N12 O42 Si W12 -","- C24 H24 Cu4 N12 O42 Si W12 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Zheng, Pei-Qing; Long, Yu-Xiang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Construction of Polyoxometalates-Based Coordination Polymers through Direct Incorporation between Polyoxometalates and the Voids in a 2D Network","Inorganic Chemistry","2006","45","26","10702","10711","10.1021/ic061664y","","","0.71073","MoKα","","0.0836","0.0754","","","0.2005","0.2083","","","","","","1.06","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333189","13.371","0.003","21.109","0.005","14.088","0.003","90","","118.33","","90","","3500.1","1.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cu4 N12 O40 Si W12 -","- C36 H48 Cu4 N12 O39.98 Si W12 -","- C72 H96 Cu8 N24 O79.96 Si2 W24 -","2","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Zheng, Pei-Qing; Long, Yu-Xiang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Construction of Polyoxometalates-Based Coordination Polymers through Direct Incorporation between Polyoxometalates and the Voids in a 2D Network","Inorganic Chemistry","2006","45","26","10702","10711","10.1021/ic061664y","","","0.71073","MoKα","","0.0881","0.0798","","","0.1735","0.1799","","","","","","1.035","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333190","22.098","0.004","22.769","0.004","16.907","0.003","90","","90","","90","","8507","3","173","2","173","2","","","","","","","","7","C c m 21","C 2c -2c","36","","","","- C60 H63 Cu2 N12 O48 Si W12 -","- C60 H63 Cu2 N12 O48 Si W12 -","- C240 H252 Cu8 N48 O192 Si4 W48 -","4","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Zheng, Pei-Qing; Long, Yu-Xiang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Construction of Polyoxometalates-Based Coordination Polymers through Direct Incorporation between Polyoxometalates and the Voids in a 2D Network","Inorganic Chemistry","2006","45","26","10702","10711","10.1021/ic061664y","","","0.71073","MoKα","","0.0431","0.0404","","","0.0838","0.0847","","","","","","1.081","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333191","5.8494","0.0001","5.8494","0.0001","13.3086","0.0002","90","","90","","120","","394.353","0.011","273","2","273","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- H3 Na O9 S2 Zn3 -","- H3 Na O9 S2 Zn3 -","- H6 Na2 O18 S4 Zn6 -","2","0.166667","","Nguyen, Dan-Tam; Bu, Xianhui","Sodium Zinc Hydroxide Sulfite with a Novel Zn3OH Geometry","Inorganic Chemistry","2006","45","26","10410","10412","10.1021/ic061672e","","","0.71073","MoKα","","0.0219","0.0169","","","0.0433","0.0443","","","","","","1.148","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333192","4.8234","0.0002","15.3064","0.0007","6.2353","0.0003","90","","91.223","0.003","90","","460.24","0.04","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H8 N2 O6 S2 Zn2 -","- C2 H8 N2 O6 S2 Zn2 -","- C4 H16 N4 O12 S4 Zn4 -","2","0.5","","Nguyen, Dan-Tam; Chew, Emily; Zhang, Qichun; Choi, Alice; Bu, Xianhui","Metal−Organic Frameworks from Zinc Sulfite Clusters, Chains, and Sheets: 4-Connected, (3,4)-Connected 3-D Frameworks and 2-D Arrays of Catenane-Like Interlocking Rings","Inorganic Chemistry","2006","45","26","10722","10727","10.1021/ic061677b","","","0.71073","MoKα","","0.0435","0.0287","","","0.0658","0.0717","","","","","","1.038","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333193","7.3269","0.0001","8.2922","0.0001","12.1221","0.0002","90","","90","","90","","736.492","0.018","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 N2 O3 S Zn -","- C4 H10 N2 O3 S Zn -","- C16 H40 N8 O12 S4 Zn4 -","4","1","","Nguyen, Dan-Tam; Chew, Emily; Zhang, Qichun; Choi, Alice; Bu, Xianhui","Metal−Organic Frameworks from Zinc Sulfite Clusters, Chains, and Sheets: 4-Connected, (3,4)-Connected 3-D Frameworks and 2-D Arrays of Catenane-Like Interlocking Rings","Inorganic Chemistry","2006","45","26","10722","10727","10.1021/ic061677b","","","0.71073","MoKα","","0.0255","0.0253","","","0.0667","0.0667","","","","","","1.039","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333194","16.0317","0.0011","17.446","0.0013","21.6212","0.0016","90","","100.865","0.006","90","","5938.8","0.8","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N4 O6 S2 Zn2 -","- C26 H28 N4 O6 S2 Zn2 -","- C208 H224 N32 O48 S16 Zn16 -","8","1","","Nguyen, Dan-Tam; Chew, Emily; Zhang, Qichun; Choi, Alice; Bu, Xianhui","Metal−Organic Frameworks from Zinc Sulfite Clusters, Chains, and Sheets: 4-Connected, (3,4)-Connected 3-D Frameworks and 2-D Arrays of Catenane-Like Interlocking Rings","Inorganic Chemistry","2006","45","26","10722","10727","10.1021/ic061677b","","","0.71073","MoKα","","0.145","0.0772","","","0.2022","0.2207","","","","","","0.952","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333195","14.343","0.003","14.882","0.003","16.213","0.003","90","","93.958","0.015","90","","3452.5","1.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H61 Cl2 Ni2 P4 -","- C26 H61 Cl2 Ni2 P4 -","- C104 H244 Cl8 Ni8 P16 -","4","1","","Tyree, William S.; Vicic, David A.; Piccoli, Paula M. B.; Schultz, Arthur J.","Structural Factors Influencing Linear M−H−M Bonding in Bis(dialkylphosphino)methane Complexes of Nickel","Inorganic Chemistry","2006","45","22","8853","8855","10.1021/ic0617036","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333196","14.374","0.009","14.995","0.008","16.366","0.017","90","","94.557","0.008","90","","3516","5","183","2","183","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H61 Cl2 Ni2 P4 -","- C26 H61 Cl2 Ni2 P4 -","- C104 H244 Cl8 Ni8 P16 -","4","1","","Tyree, William S.; Vicic, David A.; Piccoli, Paula M. B.; Schultz, Arthur J.","Structural Factors Influencing Linear M−H−M Bonding in Bis(dialkylphosphino)methane Complexes of Nickel","Inorganic Chemistry","2006","45","22","8853","8855","10.1021/ic0617036","","","0.7107","MoKα","","0.038","0.0345","","","0.0746","0.0762","","","","","","1.175","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333197","22.484","0.005","22.484","0.005","20.323","0.005","90","","90","","90","","10274","4","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C50 H93 Br2 Ni2 P4 -","- C50 H93 Br2 Ni2 P4 -","- C400 H744 Br16 Ni16 P32 -","8","0.5","","Tyree, William S.; Vicic, David A.; Piccoli, Paula M. B.; Schultz, Arthur J.","Structural Factors Influencing Linear M−H−M Bonding in Bis(dialkylphosphino)methane Complexes of Nickel","Inorganic Chemistry","2006","45","22","8853","8855","10.1021/ic0617036","","","0.7107","MoKα","","0.1888","0.1377","","","0.264","0.2944","","","","","","1.253","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333198","12.882","0.0004","26.0619","0.0007","15.059","0.0004","90","","111.15","0.02","90","","4715.2","0.7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H44 Al N4 O3 P -","- C58 H44 Al N4 O3 P -","- C232 H176 Al4 N16 O12 P4 -","4","1","","Richeter, Sébastien; Thion, Julien; van der Lee, Arie; Leclercq, Dominique","Synthesis, Structural Characterization, and Properties of Aluminum (III)meso-Tetraphenylporphyrin Complexes Axially Bonded to Phosphinate Anions","Inorganic Chemistry","2006","45","25","10049","10051","10.1021/ic0617801","","","0.71073","MoKα","","0.3294","0.1037","","0.1761","0.1017","0.1017","","","","","","1.3008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333199","11.093","0.004","12.676","0.004","18.803","0.006","76.623","0.005","84.637","0.005","74.514","0.005","2477.4","1.4","127","2","127","2","","","","","","","","4","P -1","-P 1","2","","","","- C56.5 H69 Hf Sb2 -","- C56.5 H69 Hf Sb2 -","- C113 H138 Hf2 Sb4 -","2","1","","Waterman, Rory; Tilley, T. Don","Antimony−Antimony Bond Formation by Reductive Elimination from a Hafnium Bis(stibido) Complex","Inorganic Chemistry","2006","45","24","9625","9627","10.1021/ic061826q","","","0.71073","MoKα","","0.0828","0.0581","","","0.1475","0.1603","","","","","","0.962","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333200","14.7797","0.0003","14.7797","0.0003","25.3168","0.0009","90","","90","","120","","4789.3","0.2","150","1","150","1","","","","","","","","8","P 63/m","-P 6c","176","","","","- C74 H54 Co2 Cu6 I16 N12 O Pb3 -","- C73.98 H54.06 Co2 Cu6 I16 N12 O0.99 Pb3 -","- C147.96 H108.12 Co4 Cu12 I32 N24 O1.98 Pb6 -","2","0.166667","","Burns, Michael C.; Tershansy, Meredith A.; Ellsworth, Joseph M.; Khaliq, Zeeshan; Peterson, LeRoy; Smith, Mark D.; zur Loye, Hans-Conrad","Layered Heterometallic Iodoplumbate Containing a Novel Pb3Cu6I16Net: Structure and Optical Properties","Inorganic Chemistry","2006","45","26","10437","10439","10.1021/ic061827i","","","0.71073","MoKα","","0.0289","0.0246","","","0.0555","0.0569","","","","","","1.109","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333201","16.921","0.003","34.176","0.006","8.4534","0.0015","90","","90","","90","","4888.5","1.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C44 H64 Cu2 F12 N8 P2 -","- C44 H64 Cu2 F12 N8 P2 -","- C176 H256 Cu8 F48 N32 P8 -","4","1","","Company, Anna; Güell, Mireia; Popa, Dana; Benet-Buchholz, Jordi; Parella, Teodor; Fontrodona, Xavier; Llobet, Antoni; Solà, Miquel; Ribas, Xavi; Luis, Josep M.; Costas, Miquel","Redox-Controlled Molecular Flipper Based on a Chiral Cu Complex","Inorganic Chemistry","2006","45","24","9643","9645","10.1021/ic0618549","","","0.71073","MoKα","","0.0563","0.0415","","","0.1013","0.108","","","","","","1.065","","","","has coordinates,has disorder","179435","2020-10-21","18:00:00",""
"4333202","25.2572","0.0011","26.0174","0.0011","17.6524","0.0007","90","","90","","90","","11599.9","0.8","150","1","150","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C103 H70 N4 O28 Re4 S2 -","- C103 H70 N4 O28 Re4 S2 -","- C412 H280 N16 O112 Re16 S8 -","4","0.5","","Sathiyendiran, Malaichamy; Liao, Rong-Tang; Thanasekaran, P.; Luo, Tzuoo-Tsair; Venkataramanan, N. S.; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","Gondola-Shaped Luminescent Tetrarhenium Metallacycles with Crown-Ether-like Multiple Recognition Sites","Inorganic Chemistry","2006","45","25","10052","10054","10.1021/ic061886w","","","0.71073","MoKα","","0.129","0.0763","","","0.1802","0.2087","","","","","","1.115","","","","has coordinates,has disorder","179435","2020-10-21","18:00:00",""
"4333203","25.2555","0.0008","25.9977","0.0008","17.617","0.0005","90","","90","","90","","11567.1","0.6","150","1","150","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C92 H72 N4 O30 Re4 S2 -","- C92 H72 N4 O30 Re4 S2 -","- C368 H288 N16 O120 Re16 S8 -","4","0.5","","Sathiyendiran, Malaichamy; Liao, Rong-Tang; Thanasekaran, P.; Luo, Tzuoo-Tsair; Venkataramanan, N. S.; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","Gondola-Shaped Luminescent Tetrarhenium Metallacycles with Crown-Ether-like Multiple Recognition Sites","Inorganic Chemistry","2006","45","25","10052","10054","10.1021/ic061886w","","","0.71073","MoKα","","0.1559","0.089","","","0.2426","0.3022","","","","","","1.138","","","","has coordinates,has disorder","179435","2020-10-21","18:00:00",""
"4333204","23.5969","0.0019","10.2926","0.0008","19.713","0.003","90","","125.271","0.004","90","","3908.9","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H40 N12 O24 Sn2 W6 -","- C8 H36 N12 O24 Sn2 W6 -","- C32 H144 N48 O96 Sn8 W24 -","4","0.5","","Reinoso, Santiago; Dickman, Michael H.; Kortz, Ulrich","A Novel Hexatungstate Fragment Stabilized by Dimethyltin Groups: [{(CH3)2Sn}2(W6O22)]4-","Inorganic Chemistry","2006","45","26","10422","10424","10.1021/ic0619862","","","0.71073","MoKα","","0.0578","0.0379","","","0.0869","0.0965","","","","","","1.046","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333205","9.082","0.0003","23.2731","0.0007","12.6536","0.0004","90","","96.168","0.001","90","","2659.06","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C H7 B11 Br6 Cl6 N3 P3 -","- C H7 B11 Br6 Cl6 N3 P3 -","- C4 H28 B44 Br24 Cl24 N12 P12 -","4","1","","Zhang, Yun; Tham, Fook S.; Reed, Christopher A.","Phosphazene Cations","Inorganic Chemistry","2006","45","26","10446","10448","10.1021/ic062077f","","","0.71073","MoKα","","0.0371","0.0248","","","0.0548","0.0575","","","","","","1.04","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333206","10.0373","0.0007","12.0983","0.0008","14.3169","0.001","90","","109.168","0.004","90","","1642.2","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C7 H19 B11 Br6 Cl6 N3 P3 -","- C7 H19 B11 Br6 Cl6 N3 P3 -","- C14 H38 B22 Br12 Cl12 N6 P6 -","2","1","","Zhang, Yun; Tham, Fook S.; Reed, Christopher A.","Phosphazene Cations","Inorganic Chemistry","2006","45","26","10446","10448","10.1021/ic062077f","","","0.71073","MoKα","","0.0327","0.0252","","","0.0502","0.0518","","","","","","0.984","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333207","15.6353","0.0005","16.2998","0.0005","24.407","0.0008","102.485","0.001","102.781","0.001","92.303","0.001","5897.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H14.97 B11 Cl12.03 N3 P3 Si -","- C4 H14.965 B11 Cl12.035 N3 P3 Si -","- C32 H119.72 B88 Cl96.28 N24 P24 Si8 -","8","4","","Zhang, Yun; Tham, Fook S.; Reed, Christopher A.","Phosphazene Cations","Inorganic Chemistry","2006","45","26","10446","10448","10.1021/ic062077f","","","0.71073","MoKα","","0.0455","0.0331","","","0.0771","0.0828","","","","","","1.023","","","","has coordinates,has disorder","179435","2020-10-21","18:00:00",""
"4333208","9.5212","0.0004","11.0613","0.0004","18.3064","0.0007","76.076","0.001","83.788","0.001","77.359","0.001","1822.82","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H16 B11 Cl17 N3 P3 Si -","- C7 H16 B11 Cl17 N3 P3 Si -","- C14 H32 B22 Cl34 N6 P6 Si2 -","2","1","","Zhang, Yun; Tham, Fook S.; Reed, Christopher A.","Phosphazene Cations","Inorganic Chemistry","2006","45","26","10446","10448","10.1021/ic062077f","","","0.71073","MoKα","","0.0507","0.0405","","","0.1206","0.128","","","","","","1.038","","","","has coordinates,has disorder","179435","2020-10-21","18:00:00",""
"4340147","12.3728","0.0008","15.8644","0.001","15.9487","0.001","60.32","0.001","89.858","0.001","84.897","0.001","2705.9","0.3","213","2","213","2","","","","","","","","6","P -1","-P 1","2","[Mo2(DAnif)3]2(C14H8N4),4CH2Cl2","","","- C108 H106 Cl8 Mo4 N16 O12 -","- C108 H106 Cl8 Mo4 N16 O12 -","- C108 H106 Cl8 Mo4 N16 O12 -","1","0.5","","Cotton, F. Albert; Li, Zhong; Liu, Chun Y.; Murillo, Carlos A.; Villagrán, Dino","Strong electronic interaction between two dimolybdenum units linked by a tetraazatetracene.","Inorganic chemistry","2006","45","2","767","778","10.1021/ic051614d","","","0.71073","MoKα","","0.0463","0.0373","","","0.0968","0.1043","","","","","","1.039","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340148","17.881","0.005","23.811","0.006","29.914","0.008","90","","93.715","0.005","90","","12710","6","213","2","213","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C112.3 H112.6 Cl14.6 F3 Mo4 N16 O15 S -","- C112.3 H112.6 Cl14.6 F3 Mo4 N16 O15 S -","- C449.2 H450.4 Cl58.4 F12 Mo16 N64 O60 S4 -","4","1","","Cotton, F. Albert; Li, Zhong; Liu, Chun Y.; Murillo, Carlos A.; Villagrán, Dino","Strong electronic interaction between two dimolybdenum units linked by a tetraazatetracene.","Inorganic chemistry","2006","45","2","767","778","10.1021/ic051614d","","","0.71073","MoKα","","0.0954","0.059","","","0.1462","0.185","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340149","12.336","0.0015","16.948","0.002","17.203","0.002","60.865","0.002","81.414","0.002","70.215","0.002","2955.6","0.6","213","2","213","2","","","","","","","","8","P -1","-P 1","2","[Mo2(DAniF)3]2C14H8N4(PF6)2,4CH2Cl2","","","- C108 H106 Cl8 F12 Mo4 N16 O12 P2 -","- C108 H106 Cl8 F12 Mo4 N16 O12 P2 -","- C108 H106 Cl8 F12 Mo4 N16 O12 P2 -","1","0.5","","Cotton, F. Albert; Li, Zhong; Liu, Chun Y.; Murillo, Carlos A.; Villagrán, Dino","Strong electronic interaction between two dimolybdenum units linked by a tetraazatetracene.","Inorganic chemistry","2006","45","2","767","778","10.1021/ic051614d","","","0.71073","MoKα","","0.0626","0.0412","","","0.0953","0.1069","","","","","","1.052","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340150","14.67","0.0009","17.8949","0.0011","20.7251","0.0012","90","","95.358","0.001","90","","5416.9","0.6","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mo2(DAniF)3(C14H9N4)]","","","- C59 H54 Mo2 N10 O6 -","- C59 H54 Mo2 N10 O6 -","- C236 H216 Mo8 N40 O24 -","4","1","","Cotton, F. Albert; Li, Zhong; Liu, Chun Y.; Murillo, Carlos A.; Villagrán, Dino","Strong electronic interaction between two dimolybdenum units linked by a tetraazatetracene.","Inorganic chemistry","2006","45","2","767","778","10.1021/ic051614d","","","0.71073","MoKα","","0.0426","0.0323","","","0.0806","0.0888","","","","","","1.049","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340151","10.533","0.002","14.862","0.003","15.07","0.003","89.761","0.004","73.296","0.004","75.536","0.004","2182.1","0.7","213","2","213","2","","","","","","","","6","P -1","-P 1","2","[Mo2(DAniF)2(O2CCH3)]2C14H8N4,4CH2Cl2","","","- C82 H82 Cl8 Mo4 N12 O12 -","- C82 H82 Cl8 Mo4 N12 O12 -","- C82 H82 Cl8 Mo4 N12 O12 -","1","0.5","","Cotton, F. Albert; Li, Zhong; Liu, Chun Y.; Murillo, Carlos A.; Villagrán, Dino","Strong electronic interaction between two dimolybdenum units linked by a tetraazatetracene.","Inorganic chemistry","2006","45","2","767","778","10.1021/ic051614d","","","0.71073","MoKα","","0.0922","0.0582","","","0.1446","0.1653","","","","","","1.017","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340152","10.885","0.005","13.069","0.006","13.452","0.007","63.893","0.007","66.249","0.007","85.134","0.008","1562.9","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H23 As I3 Ir O3 -","- C28 H23 As I3 Ir O3 -","- C56 H46 As2 I6 Ir2 O6 -","2","1","","Volpe, Maurizio; Wu, Guang; Iretskii, Alexei; Ford, Peter C.","Photochemical and time resolved spectroscopic studies of intermediates relevant to iridium-catalyzed methanol carbonylation: photoinduced CO migratory insertion.","Inorganic chemistry","2006","45","4","1861","1870","10.1021/ic0513033","","","0.71073","MoKα","","0.0398","0.0316","","","0.0772","0.0801","","","","","","1.043","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340153","10.5278","0.0015","12.0524","0.0017","12.4234","0.0017","71.549","0.002","85.826","0.002","70.565","0.002","1409.2","0.3","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 As I3 Ir O2 -","- C26.999 H23 As I3 Ir O1.999 -","- C53.998 H46 As2 I6 Ir2 O3.998 -","2","1","","Volpe, Maurizio; Wu, Guang; Iretskii, Alexei; Ford, Peter C.","Photochemical and time resolved spectroscopic studies of intermediates relevant to iridium-catalyzed methanol carbonylation: photoinduced CO migratory insertion.","Inorganic chemistry","2006","45","4","1861","1870","10.1021/ic0513033","","","0.71073","MoKα","","0.0733","0.0478","","","0.127","0.1367","","","","","","1.06","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340154","10.0999","0.0004","10.0552","0.0004","17.2639","0.0007","90","","106.762","0.001","90","","1678.77","0.12","115","1","117","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 I2 Ir N2 O2 -","- C13 H13 I2 Ir N2 O2 -","- C52 H52 I8 Ir4 N8 O8 -","4","1","","Volpe, Maurizio; Wu, Guang; Iretskii, Alexei; Ford, Peter C.","Photochemical and time resolved spectroscopic studies of intermediates relevant to iridium-catalyzed methanol carbonylation: photoinduced CO migratory insertion.","Inorganic chemistry","2006","45","4","1861","1870","10.1021/ic0513033","","","0.71073","MoKα","","0.0315","0.0237","","","0.0559","0.058","","","","","","1.028","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340155","13.1851","0.0005","16.1292","0.0007","10.2689","0.0004","90","","99.353","0.001","90","","2154.8","0.15","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Br N5 O3 Re -","- C21 H19 Br N5 O3 Re -","- C84 H76 Br4 N20 O12 Re4 -","4","1","","Wei, Lihui; Babich, John W.; Ouellette, Wayne; Zubieta, Jon","Developing the {M(CO)3}+ core for fluorescence applications: Rhenium tricarbonyl core complexes with benzimidazole, quinoline, and tryptophan derivatives.","Inorganic chemistry","2006","45","7","3057","3066","10.1021/ic0517319","","","0.71073","MoKα","","0.0247","0.0192","","","0.0451","0.0463","","","","","","1.072","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340156","22.978","0.008","9.645","0.003","22.968","0.008","90","","109.56","0.007","90","","4796","3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H35 Mo N O S4 -","- C17 H35 Mo N O S4 -","- C136 H280 Mo8 N8 O8 S32 -","8","2","","Wang, Jun-Jieh; Tessier, Christian; Holm, R. H.","Analogue reaction systems of selenate reductase.","Inorganic chemistry","2006","45","7","2979","2988","10.1021/ic0521630","","","0.71073","MoKα","","0.0944","0.0686","","","0.145","0.1554","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340157","10.118","0.002","11.058","0.002","21.161","0.004","90","","97.029","0.003","90","","2349.8","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H35 N O S4 W -","- C17 H35 N O S4 W -","- C68 H140 N4 O4 S16 W4 -","4","1","","Wang, Jun-Jieh; Tessier, Christian; Holm, R. H.","Analogue reaction systems of selenate reductase.","Inorganic chemistry","2006","45","7","2979","2988","10.1021/ic0521630","","","0.71073","MoKα","","0.049","0.0404","","","0.1009","0.1065","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340158","37.741","0.011","16.381","0.005","17.663","0.005","90","","90","","90","","10920","6","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H41 Mo N O2 S4 -","- C21 H41 Mo N O2 S4 -","- C336 H656 Mo16 N16 O32 S64 -","16","4","","Wang, Jun-Jieh; Tessier, Christian; Holm, R. H.","Analogue reaction systems of selenate reductase.","Inorganic chemistry","2006","45","7","2979","2988","10.1021/ic0521630","","","0.71073","MoKα","","0.1123","0.0734","","","0.1425","0.1617","","","","","","1.209","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340159","8.919","0.002","23.807","0.004","12.949","0.003","90","","105.303","0.004","90","","2652","1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H37 Mo N O2 S4 -","- C23 H37 Mo N O2 S4 -","- C92 H148 Mo4 N4 O8 S16 -","4","1","","Wang, Jun-Jieh; Tessier, Christian; Holm, R. H.","Analogue reaction systems of selenate reductase.","Inorganic chemistry","2006","45","7","2979","2988","10.1021/ic0521630","","","0.71073","MoKα","","0.0482","0.0396","","","0.0921","0.0958","","","","","","1.095","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340160","8.979","0.003","16.925","0.005","15.476","0.005","90","","91.944","0.005","90","","2350.5","1.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H35 N O2 S4 W -","- C17 H35 N O2 S4 W -","- C68 H140 N4 O8 S16 W4 -","4","1","","Wang, Jun-Jieh; Tessier, Christian; Holm, R. H.","Analogue reaction systems of selenate reductase.","Inorganic chemistry","2006","45","7","2979","2988","10.1021/ic0521630","","","0.71073","MoKα","","0.038","0.036","","","0.0839","0.0846","","","","","","1.255","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340161","18.158","0.002","11.5817","0.0014","18.029","0.002","90","","104.997","0.002","90","","3662.4","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 Mo2 N2 O S8 -","- C26 H47 Mo2 N2 O S8 -","- C104 H188 Mo8 N8 O4 S32 -","4","1","","Wang, Jun-Jieh; Tessier, Christian; Holm, R. H.","Analogue reaction systems of selenate reductase.","Inorganic chemistry","2006","45","7","2979","2988","10.1021/ic0521630","","","0.71073","MoKα","","0.0408","0.0296","","","0.0689","0.0743","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340162","13.182","0.007","14.176","0.007","13.37","0.007","90","","114.35","0.02","90","","2276","2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H43 N3 O4 Se -","- C18 H43 N3 O4 Se -","- C72 H172 N12 O16 Se4 -","4","1","","Wang, Jun-Jieh; Tessier, Christian; Holm, R. H.","Analogue reaction systems of selenate reductase.","Inorganic chemistry","2006","45","7","2979","2988","10.1021/ic0521630","","","0.71073","MoKα","","0.0488","0.0333","","","0.0834","0.0895","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340163","7.926","0.006","8.909","0.007","9.146","0.007","80.64","0.01","65.15","0.01","77.19","0.02","569.7","0.8","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H21 N O3 Se -","- C8 H21 N O3 Se -","- C16 H42 N2 O6 Se2 -","2","1","","Wang, Jun-Jieh; Tessier, Christian; Holm, R. H.","Analogue reaction systems of selenate reductase.","Inorganic chemistry","2006","45","7","2979","2988","10.1021/ic0521630","","","0.71073","MoKα","","0.0437","0.0376","","","0.0945","0.0978","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340164","16.0118","0.0015","15.5369","0.0014","17.9705","0.0017","90","","103.595","0.002","90","","4345.3","0.7","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H43 Cl Mn2 N6 O9 -","- C39 H42 Cl Mn2 N6 O9 -","- C156 H168 Cl4 Mn8 N24 O36 -","4","1","","Gultneh, Yilma; Tesema, Yohannes T.; Yisgedu, Teshome B.; Butcher, Ray J.; Wang, Guangbin; Yee, Gordon T.","Studies of a dinuclear manganese complex with phenoxo and bis-acetato bridging in the Mn2(II,II) and Mn2(II,III) states: Coordination structural shifts and oxidation state control in bridged dinuclear complexes.","Inorganic chemistry","2006","45","7","3023","3033","10.1021/ic060039q","","","0.71073","MoKα","","0.0873","0.0614","","","0.1619","0.1734","","","","","","1.051","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340165","11.16","0.03","14.2","0.05","16.46","0.06","106.08","0.08","96.19","0.08","95.71","0.08","2469","14","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H45 Cl4 Mn2 N6 O13 -","- C40 H45 Cl4 Mn2 N6 O13 -","- C80 H90 Cl8 Mn4 N12 O26 -","2","1","","Gultneh, Yilma; Tesema, Yohannes T.; Yisgedu, Teshome B.; Butcher, Ray J.; Wang, Guangbin; Yee, Gordon T.","Studies of a dinuclear manganese complex with phenoxo and bis-acetato bridging in the Mn2(II,II) and Mn2(II,III) states: Coordination structural shifts and oxidation state control in bridged dinuclear complexes.","Inorganic chemistry","2006","45","7","3023","3033","10.1021/ic060039q","","","0.71073","MoKα","","0.0687","0.0428","","","0.1069","0.1135","","","","","","0.924","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340166","10.963","0.002","10.963","0.002","16.034","0.003","90","","90","","120","","1668.9","0.5","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C26 H16 Cu N2 O9 -","- C26 H16 Cu N2 O9 -","- C78 H48 Cu3 N6 O27 -","3","0.5","","Zang, Shuangquan; Su, Yang; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","One dense and two open chiral metal-organic frameworks: crystal structures and physical properties.","Inorganic chemistry","2006","45","7","2972","2978","10.1021/ic0520418","","","0.71073","MoKα","","0.0778","0.065","","","0.1523","0.1567","","","","","","0.995","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340167","17.0927","0.0005","15.01","0.0005","20.8189","0.0005","90","","93.2538","0.0004","90","","5332.7","0.3","153.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C46 H79 Cu2 N7 O14 -","- C46 H71 Cu2 N7 O14 -","- C184 H284 Cu8 N28 O56 -","4","1","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.0514","","","","0.1342","","","","","","2.567","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340168","14.981","0.007","16.995","0.004","20.765","0.006","90","","90","","90","","5287","3","155.2","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H75 Cl Cu2 N6 O10 -","- C45 H41 Cl Cu2 N6 O10 -","- C180 H164 Cl4 Cu8 N24 O40 -","4","0.5","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.0777","","","","0.1608","","","","","","2.343","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340169","15.063","0.007","16.132","0.007","21.297","0.008","90","","90","","90","","5175","4","155.2","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C42 H69 Cu2 N7 O13 -","- C42 H66 Cu2 N7 O13 -","- C168 H264 Cu8 N28 O52 -","4","0.25","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.0588","","","","0.1453","","","","","","2.55","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340170","15.183","0.004","18.529","0.007","11.838","0.004","101.53","0.03","103.25","0.03","94.61","0.03","3148.3","1.9","154.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H63 Cl8 Cu2 N7 O12 -","- C56 H63 Cl8 Cu2 N7 O12 -","- C112 H126 Cl16 Cu4 N14 O24 -","2","1","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.049","","","","0.1122","","","","","","2.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340171","14.203","0.001","18.0006","0.0005","11.475","0.002","103.56","0.02","92.28","0.02","80.32","0.02","2811.3","0.6","153.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C57.5 H58 Cl3 Cu2 N7 O12 -","- C57.5 H55 Cl3 Cu2 N7 O12 -","- C115 H110 Cl6 Cu4 N14 O24 -","2","1","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.0655","","","","0.1552","","","","","","2.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340172","13.128","0.003","19.642","0.003","12.872","0.002","95.58","0.01","95.72","0.02","101.43","0.01","3213.8","1","157.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H73 Cl4 Cu2 N7 O14 -","- C59 H73 Cl4 Cu2 N7 O14 -","- C118 H146 Cl8 Cu4 N14 O28 -","2","1","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.0772","","","","0.1722","","","","","","2.924","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340173","12.972","0.001","19.444","0.002","26.732","0.003","90","","95.026","0.006","90","","6716.6","1.1","153.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H70 Cl2 Cu2 N7 O14.5 -","- C61 H59 Cl2 Cu2 N7 O14.5 -","- C244 H236 Cl8 Cu8 N28 O58 -","4","1","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.0803","","","","0.1647","","","","","","2.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340174","31.485","0.005","27.913","0.003","20.226","0.003","90","","120.97","0.004","90","","15241","4","153.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H77 Cu2 N7 O19.5 P -","- C66 H64 Cu2 N7 O19.5 P -","- C528 H512 Cu16 N56 O156 P8 -","8","1","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.1031","","","","0.2149","","","","","","2.219","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340175","16.564","0.007","18.324","0.005","13","0.004","98.28","0.02","102.98","0.03","98.08","0.03","3743","2","155.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C70.5 H71 Cl4 Cu2 N7 O16 P -","- C70.5 H64 Cl4 Cu2 N7 O16 P -","- C141 H128 Cl8 Cu4 N14 O32 P2 -","2","1","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.0686","","","","0.1528","","","","","","2.903","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340176","14.401","0.001","23.416","0.002","27.261","0.003","90","","98.033","0.005","90","","9102.6","1.4","153.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H78 Cl16 Cu2 N9 O19 P -","- C76 H62 Cl16 Cu2 N9 O19 P -","- C304 H248 Cl64 Cu8 N36 O76 P4 -","4","1","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.0914","","","","0.1937","","","","","","2.318","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340177","11.384","0.002","19.612","0.002","11.21","0.001","90","","105.062","0.004","90","","2416.8","0.5","153.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cu2 N6 O14 P2 -","- C48 H44 Cu2 N6 O14 P2 -","- C96 H88 Cu4 N12 O28 P4 -","2","0.5","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.0523","","","","0.1168","","","","","","1.176","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340178","9.849","0.002","14.252","0.003","8.944","0.002","106.94","0.02","100.49","0.01","89.71","0.02","1179.4","0.5","155.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cu2 N10 O22 P2 -","- C36 H48 Cu2 N10 O22 P2 -","- C36 H48 Cu2 N10 O22 P2 -","1","0.5","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.0239","","","","0.0654","","","","","","1.445","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340179","12.521","0.003","16.704","0.004","18.427","0.005","91.105","0.002","106.131","0.003","94.116","0.004","3689.6","1.6","153.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C68.5 H88 Cu2 N7 O22.5 P -","- C68.5 H61 Cu2 N7 O22.5 P -","- C137 H122 Cu4 N14 O45 P2 -","2","1","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.0671","","","","0.1526","","","","","","2.469","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340180","30.9279","0.0013","32.8938","0.0011","37.034","0.002","90","","105.942","0.002","90","","36227","3","153.1","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C125.5 H173.5 Cu4 N12 O47.75 P2 -","- C125.5 H115 Cu4 N12 O47.75 P2 -","- C1004 H920 Cu32 N96 O382 P16 -","8","2","","Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro","Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.","Inorganic chemistry","2006","45","7","2925","2941","10.1021/ic051942d","","","0.7107","MoKα","","","0.093","","","","0.213","","","","","","1.391","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340181","18.622","0.004","21.445","0.006","11.089","0.005","90","","90","","90","","4428","3","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","trans-Bis(O-ethyldithiocarbonato)bis(triphenylphosphine)ruthenium(III) Hexafluorophosphate","","- C42 H40 F6 O2 P3 Ru S4 -","- C42 H40 F6 O2 P3 Ru S4 -","- C168 H160 F24 O8 P12 Ru4 S16 -","4","1","","Noda, Kyoko; Ohuchi, Yuko; Hashimoto, Akira; Fujiki, Masayuki; Itoh, Sumitaka; Iwatsuki, Satoshi; Noda, Toshiaki; Suzuki, Takayoshi; Kashiwabara, Kazuo; Takagi, Hideo D.","Syntheses, structural determinations of [Ru(ROCS2)2(PPh3)2](+/0) pairs, and kinetic analyses of thermal reactions involving transient trans-[Ru(iPrOCS2)2(PPh3)2] species (ROCS2(-) = ethyl- or isopropyldithiocarbonate and PPh3 = triphenylphosphine).","Inorganic chemistry","2006","45","3","1349","1355","10.1021/ic051487l","","","0.71069","MoKα","","0.1964","0.043","","","0.0932","0.1232","","","","","","0.973","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340182","11.8702","0.0017","36.585","0.004","20.1217","0.0015","90","","101.346","0.009","90","","8567.5","1.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Bis(O-ethyldithiocarbonato)bis(triphenylphosphine)ruthenium(II)","","- C42 H40 O2 P2 Ru S4 -","- C42 H40 O2 P2 Ru S4 -","- C336 H320 O16 P16 Ru8 S32 -","8","2","","Noda, Kyoko; Ohuchi, Yuko; Hashimoto, Akira; Fujiki, Masayuki; Itoh, Sumitaka; Iwatsuki, Satoshi; Noda, Toshiaki; Suzuki, Takayoshi; Kashiwabara, Kazuo; Takagi, Hideo D.","Syntheses, structural determinations of [Ru(ROCS2)2(PPh3)2](+/0) pairs, and kinetic analyses of thermal reactions involving transient trans-[Ru(iPrOCS2)2(PPh3)2] species (ROCS2(-) = ethyl- or isopropyldithiocarbonate and PPh3 = triphenylphosphine).","Inorganic chemistry","2006","45","3","1349","1355","10.1021/ic051487l","","","0.71069","MoKα","","0.2183","0.0527","","","0.155","0.21","","","","","","0.953","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340183","9.286","0.003","9.478","0.003","21.541","0.006","90","","96.008","0.005","90","","1885.5","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Cl2 N14 O11 S4 V2 -","- C24 H34 Cl2 N14 O11 S4 V2 -","- C48 H68 Cl4 N28 O22 S8 V4 -","2","0.5","","Shongwe, Musa S.; Al-Kharousi, Huda N R; Adams, Harry; Morris, Michael J.; Bill, Eckhard","Unprecedented [V2O]6+ core of a centrosymmetric thiosemicarbazonato dimer: spontaneous deoxygenation of oxovanadium(IV).","Inorganic chemistry","2006","45","3","1103","1107","10.1021/ic0511625","","","0.71073","MoKα","","0.1365","0.0738","","","0.1705","0.1961","","","","","","0.95","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340184","10.7836","0.0012","10.7836","0.0012","10.7836","0.0012","90","","90","","90","","1254","0.2","293","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C17.14 H34.28 Cr2.86 K0.57 Mn4 N17.14 O17.14 -","- C17.04 Cr2.84 K0.56 Mn4 N17.04 O17.28 -","- C17.04 Cr2.84 K0.56 Mn4 N17.04 O17.28 -","1","0.00520833","","Lü, Zhengliang; Wang, Xinyi; Liu, Zhiliang; Liao, Fuhui; Gao, Song; Xiong, Rengen; Ma, Hongwei; Zhang, Deqing; Zhu, Daoben","Tuning the magnetic behavior via dehydration/hydration treatment of a new ferrimagnet with the composition of K0.2Mn1.4Cr(CN)6 x 6H2O.","Inorganic chemistry","2006","45","3","999","1004","10.1021/ic051145f","","","0.71073","MoKα","","0.0439","0.0416","","","0.1386","0.1418","","","","","","1.298","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340185","13.294","0.005","16.504","0.005","27.108","0.005","90","","100.513","0.005","90","","5848","3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H67 N13 Ni O5 -","- C66 H67 N13 Ni O5 -","- C264 H268 N52 Ni4 O20 -","4","1","","Ruzié, Christian; Even, Pascale; Ricard, David; Roisnel, Thierry; Boitrel, Bernard","O2 and CO binding to tetraaza-tripodal-capped iron(II) porphyrins.","Inorganic chemistry","2006","45","3","1338","1348","10.1021/ic0514703","","x-ray","0.71073","MoKα","","0.1467","0.0646","","","0.1496","0.182","","","","","","1.025","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340186","9.8888","0.0008","10.3411","0.0013","14.136","0.002","85.499","0.004","84.737","0.006","89.975","0.007","1435","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 As Mn O10 -","- C30 H24 As Mn O10 -","- C60 H48 As2 Mn2 O20 -","2","1","","Delgado, Fernando S.; Kerbellec, Nicolas; Ruiz-Pérez, Catalina; Cano, Joan; Lloret, Francesc; Julve, Miguel","Malonate-containing manganese(III) complexes: synthesis, crystal structure, and magnetic properties of AsPh4[Mn(mal)2(H2O)2].","Inorganic chemistry","2006","45","3","1012","1020","10.1021/ic0508526","","","0.71073","MoKα","","0.1505","0.0898","","","0.205","0.2549","","","","","","1.117","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340187","15.1273","0.0003","15.7187","0.0003","21.6951","0.0004","73.962","0.001","83.628","0.001","75.346","0.001","4791.95","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H71 Fe N2 O3 -","- C51 H71 Fe N2 O3 -","- C204 H284 Fe4 N8 O12 -","4","2","","Lanznaster, Mauricio; Hratchian, Hrant P.; Heeg, Mary Jane; Hryhorczuk, Lew M.; McGarvey, Bruce R.; Schlegel, H. Bernhard; Verani, Claudio N.","Structural and electronic behavior of unprecedented five-coordinate iron(III) and gallium(III) complexes with a new phenol-rich electroactive ligand.","Inorganic chemistry","2006","45","3","955","957","10.1021/ic050809i","","","0.71073","MoKα","","0.0758","0.0363","","","0.0789","0.0871","","","","","","0.624","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340188","16.2891","0.0008","18.0037","0.0009","20.2754","0.001","90","","112.814","0.002","90","","5480.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H73 Cl6 Ga N2 O3 -","- C53 H73 Cl6 Ga N2 O3 -","- C212 H292 Cl24 Ga4 N8 O12 -","4","1","","Lanznaster, Mauricio; Hratchian, Hrant P.; Heeg, Mary Jane; Hryhorczuk, Lew M.; McGarvey, Bruce R.; Schlegel, H. Bernhard; Verani, Claudio N.","Structural and electronic behavior of unprecedented five-coordinate iron(III) and gallium(III) complexes with a new phenol-rich electroactive ligand.","Inorganic chemistry","2006","45","3","955","957","10.1021/ic050809i","","","0.71073","MoKα","","0.1509","0.0684","","","0.172","0.2098","","","","","","1.063","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340189","14.774","0.004","9.026","0.002","20.47","0.006","90","","90.554","0.007","90","","2729.5","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl N2 O2 Pd S4 -","- C24 H27 Cl N2 O2 Pd S4 -","- C96 H108 Cl4 N8 O8 Pd4 S16 -","4","1","","Begum, Rowshan Ara; Powell, Douglas; Bowman-James, Kristin","Thioamide pincer ligands with charge versatility.","Inorganic chemistry","2006","45","3","964","966","10.1021/ic051775h","","","0.71073","MoKα","","0.0255","0.0244","","","0.0656","0.0664","","","","","","1.005","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340190","9.5631","0.0012","24.223","0.003","9.6097","0.0012","90","","91.259","0.003","90","","2225.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N3 O Pd S3 -","- C21 H20 Cl N3 O Pd S3 -","- C84 H80 Cl4 N12 O4 Pd4 S12 -","4","1","","Begum, Rowshan Ara; Powell, Douglas; Bowman-James, Kristin","Thioamide pincer ligands with charge versatility.","Inorganic chemistry","2006","45","3","964","966","10.1021/ic051775h","","","0.71073","MoKα","","0.0248","0.0235","","","0.0608","0.0619","","","","","","1.013","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340191","8.5037","0.0017","15.649","0.003","18.166","0.004","78.13","0.03","80.22","0.03","79.75","0.03","2305.6","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 N3 O1.5 Pt S3.5 -","- C22 H22 N3 O1.5 Pt S3.5 -","- C88 H88 N12 O6 Pt4 S14 -","4","2","","Begum, Rowshan Ara; Powell, Douglas; Bowman-James, Kristin","Thioamide pincer ligands with charge versatility.","Inorganic chemistry","2006","45","3","964","966","10.1021/ic051775h","","","0.71073","MoKα","","0.134","0.0817","","","0.1395","0.1529","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340192","11.954","0.002","18.217","0.004","21.847","0.003","104.456","0.011","100.467","0.01","99.696","0.016","4414.6","1.4","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H72 N2 O4 Si2 -","- C42 H72 N2 O4 Si2 -","- C168 H288 N8 O16 Si8 -","4","2","","Margraf, Günter; Kretz, Tonia; Fabrizi de Biani, Fabrizia; Laschi, Franco; Losi, Serena; Zanello, Piero; Bats, Jan W.; Wolf, Bernd; Remović-Langer, Katarina; Lang, Michael; Prokofiev, Andrei; Assmus, Wolf; Lerner, Hans-Wolfram; Wagner, Matthias","Mono-, di-, and oligonuclear complexes of Cu(II) ions and p-hydroquinone ligands: syntheses, electrochemical properties, and magnetic behavior.","Inorganic chemistry","2006","45","3","1277","1288","10.1021/ic051016z","","","0.71073","MoKα","","0.1562","0.0955","","","0.182","0.2167","","","","","","1.177","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340193","29.115","0.013","7.089","0.003","27.811","0.009","90","","111.89","0.02","90","","5326","4","146","2","146","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 N2 Ni O6 -","- C26 H35 N2 Ni O6 -","- C208 H280 N16 Ni8 O48 -","8","1","","Margraf, Günter; Kretz, Tonia; Fabrizi de Biani, Fabrizia; Laschi, Franco; Losi, Serena; Zanello, Piero; Bats, Jan W.; Wolf, Bernd; Remović-Langer, Katarina; Lang, Michael; Prokofiev, Andrei; Assmus, Wolf; Lerner, Hans-Wolfram; Wagner, Matthias","Mono-, di-, and oligonuclear complexes of Cu(II) ions and p-hydroquinone ligands: syntheses, electrochemical properties, and magnetic behavior.","Inorganic chemistry","2006","45","3","1277","1288","10.1021/ic051016z","","","0.71073","MoKα","","0.1296","0.0621","","","0.1231","0.1303","","","","","","0.957","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340194","7.6587","0.0008","20.46","0.003","14.015","0.003","90","","105.026","0.015","90","","2121","0.6","156","2","156","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 Cu2 F12 N10 O2 P2 -","- C30 H54 Cu2 F12 N10 O2 P2 -","- C60 H108 Cu4 F24 N20 O4 P4 -","2","0.5","","Margraf, Günter; Kretz, Tonia; Fabrizi de Biani, Fabrizia; Laschi, Franco; Losi, Serena; Zanello, Piero; Bats, Jan W.; Wolf, Bernd; Remović-Langer, Katarina; Lang, Michael; Prokofiev, Andrei; Assmus, Wolf; Lerner, Hans-Wolfram; Wagner, Matthias","Mono-, di-, and oligonuclear complexes of Cu(II) ions and p-hydroquinone ligands: syntheses, electrochemical properties, and magnetic behavior.","Inorganic chemistry","2006","45","3","1277","1288","10.1021/ic051016z","","","0.71073","MoKα","","0.0451","0.0353","","","0.0785","0.082","","","","","","1.192","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340195","42.822","0.005","13.0594","0.0016","7.8033","0.0008","90","","90.953","0.007","90","","4363.2","0.9","146","2","146","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H70 N2 Ni O4 Si2 -","- C42 H70 N2 Ni O4 Si2 -","- C168 H280 N8 Ni4 O16 Si8 -","4","0.5","","Margraf, Günter; Kretz, Tonia; Fabrizi de Biani, Fabrizia; Laschi, Franco; Losi, Serena; Zanello, Piero; Bats, Jan W.; Wolf, Bernd; Remović-Langer, Katarina; Lang, Michael; Prokofiev, Andrei; Assmus, Wolf; Lerner, Hans-Wolfram; Wagner, Matthias","Mono-, di-, and oligonuclear complexes of Cu(II) ions and p-hydroquinone ligands: syntheses, electrochemical properties, and magnetic behavior.","Inorganic chemistry","2006","45","3","1277","1288","10.1021/ic051016z","","","0.71073","MoKα","","0.1071","0.0707","","","0.1353","0.1515","","","","","","1.29","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340196","13.112","0.002","15.205","0.0018","18.5276","0.0019","90","","90","","90","","3693.8","0.8","146","2","146","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 Cu N3 O5 -","- C19 H19.355 Cu N3 O5 -","- C152 H154.84 Cu8 N24 O40 -","8","1","","Margraf, Günter; Kretz, Tonia; Fabrizi de Biani, Fabrizia; Laschi, Franco; Losi, Serena; Zanello, Piero; Bats, Jan W.; Wolf, Bernd; Remović-Langer, Katarina; Lang, Michael; Prokofiev, Andrei; Assmus, Wolf; Lerner, Hans-Wolfram; Wagner, Matthias","Mono-, di-, and oligonuclear complexes of Cu(II) ions and p-hydroquinone ligands: syntheses, electrochemical properties, and magnetic behavior.","Inorganic chemistry","2006","45","3","1277","1288","10.1021/ic051016z","","","0.71073","MoKα","","0.0823","0.0466","","","0.0926","0.1067","","","","","","1.092","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340197","13.6104","0.0016","13.9565","0.0016","14.5464","0.0018","110.51","0.006","102.452","0.007","113.463","0.006","2161.7","0.5","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H70 Cu N2 O4 Si2 -","- C42 H70 Cu N2 O4 Si2 -","- C84 H140 Cu2 N4 O8 Si4 -","2","1","","Margraf, Günter; Kretz, Tonia; Fabrizi de Biani, Fabrizia; Laschi, Franco; Losi, Serena; Zanello, Piero; Bats, Jan W.; Wolf, Bernd; Remović-Langer, Katarina; Lang, Michael; Prokofiev, Andrei; Assmus, Wolf; Lerner, Hans-Wolfram; Wagner, Matthias","Mono-, di-, and oligonuclear complexes of Cu(II) ions and p-hydroquinone ligands: syntheses, electrochemical properties, and magnetic behavior.","Inorganic chemistry","2006","45","3","1277","1288","10.1021/ic051016z","","","0.71073","MoKα","","0.0983","0.0602","","","0.1144","0.1336","","","","","","1.103","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340198","13.008","0.002","21.225","0.004","28.835","0.006","90","","92.857","0.017","90","","7951","3","295","","295","","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- H44 K14 La2 O144 P4 W34 -","- K11 La2 O144 P4 W34 -","- K22 La4 O288 P8 W68 -","2","0.5","","Boglio, Cécile; Lenoble, Géraldine; Duhayon, Carine; Hasenknopf, Bernold; Thouvenot, René; Zhang, Cheng; Howell, Robertha C.; Burton-Pye, Benjamin P; Francesconi, Lynn C.; Lacôte, Emmanuel; Thorimbert, Serge; Malacria, Max; Afonso, Carlos; Tabet, Jean-Claude","Production and reactions of organic-soluble lanthanide complexes of the monolacunary Dawson [alpha1-P2W17O61]10- polyoxotungstate.","Inorganic chemistry","2006","45","3","1389","1398","10.1021/ic051679g","","","0.71073","MoKα","","0.1721","0.0705","","0.1637","0.078","0.0779","","","","","","1.1026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340199","18.9201","0.0013","18.9201","0.0013","12.5108","0.0012","90","","90","","120","","3878.5","0.5","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- Ga H18.6 K2 Na3 O49.3 W12 -","- Ga K2 Na3 O49.3 W12 -","- Ga3 K6 Na9 O147.9 W36 -","3","0.5","","Sundaram, Karthik M.; Neiwert, Wade A.; Hill, Craig L.; Weinstock, Ira A.","Relative energies of alpha and beta isomers of Keggin dodecatungstogallate.","Inorganic chemistry","2006","45","3","958","960","10.1021/ic051789n","","","0.71073","MoKα","","0.0434","0.038","","","0.0917","0.0931","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340200","8.1224","0.0011","8.4351","0.0012","16.413","0.002","102.345","0.002","94.634","0.002","113.694","0.002","988.3","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Cu N2 O9 P3 -","- C16 H15 Cu N2 O9 P3 -","- C32 H30 Cu2 N4 O18 P6 -","2","1","","Kong, Deyuan; Zoñ, Jerzy; McBee, Jennifer; Clearfield, Abraham","Rational design and synthesis of porous organic-inorganic hybrid frameworks constructed by 1,3,5-benzenetriphosphonic acid and pyridine synthons.","Inorganic chemistry","2006","45","3","977","986","10.1021/ic0509377","","","0.71073","MoKα","","0.0475","0.0356","","","0.0764","0.0808","","","","","","1.02","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340201","10.022","0.002","10.182","0.003","10.619","0.003","72.983","0.004","62.182","0.004","63.997","0.004","856.1","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H28 Cu6 O32 P6 -","- C6 H10.258 Cu2.981 O15.865 P3 -","- C12 H20.516 Cu5.962 O31.73 P6 -","2","1","","Kong, Deyuan; Zoñ, Jerzy; McBee, Jennifer; Clearfield, Abraham","Rational design and synthesis of porous organic-inorganic hybrid frameworks constructed by 1,3,5-benzenetriphosphonic acid and pyridine synthons.","Inorganic chemistry","2006","45","3","977","986","10.1021/ic0509377","","","0.71073","MoKα","","0.0644","0.0446","","","0.0985","0.1049","","","","","","1.073","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340202","14.2529","0.0008","26.1686","0.0018","27.4119","0.0016","90","","90","","90","","10224","1.1","153","2","153","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C32.5 H46 Cu2 F8 N6 O10 S3.5 -","- C32.5 H46 Cu2 F8 N6 O10 S3.5 -","- C260 H368 Cu16 F64 N48 O80 S28 -","8","0.5","","Company, Anna; Gómez, Laura; López Valbuena, Josep Maria; Mas-Ballesté, Ruben; Benet-Buchholz, Jordi; Llobet, Antoni; Costas, Miquel","Isomeric molecular rectangles resulting from self-assembly of dicopper complexes of macrocyclic ligands.","Inorganic chemistry","2006","45","6","2501","2508","10.1021/ic051759k","","","0.71073","MoKα","","0.2295","0.1043","","","0.2742","0.3254","","","","","","0.92","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340203","10.6473","0.001","12.4122","0.0012","14.1083","0.0014","64.789","0.003","75.012","0.004","65.012","0.004","1521.9","0.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H34 Cu F6 N6 O6 S2 -","- C23 H34 Cu F6 N6 O6 S2 -","- C46 H68 Cu2 F12 N12 O12 S4 -","2","1","","Company, Anna; Gómez, Laura; López Valbuena, Josep Maria; Mas-Ballesté, Ruben; Benet-Buchholz, Jordi; Llobet, Antoni; Costas, Miquel","Isomeric molecular rectangles resulting from self-assembly of dicopper complexes of macrocyclic ligands.","Inorganic chemistry","2006","45","6","2501","2508","10.1021/ic051759k","","","0.71073","MoKα","","0.172","0.0624","","","0.1256","0.1565","","","","","","0.83","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340204","11.059","0.003","22.177","0.005","26.152","0.006","114.566","0.006","90.69","0.006","99.175","0.006","5737","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C85.67 H117.5 Cu4 F12 N14.84 O20 S4 -","- C85.66 H117.49 Cu4 F12 N14.83 O20 S4 -","- C171.32 H234.98 Cu8 F24 N29.66 O40 S8 -","2","1","","Company, Anna; Gómez, Laura; López Valbuena, Josep Maria; Mas-Ballesté, Ruben; Benet-Buchholz, Jordi; Llobet, Antoni; Costas, Miquel","Isomeric molecular rectangles resulting from self-assembly of dicopper complexes of macrocyclic ligands.","Inorganic chemistry","2006","45","6","2501","2508","10.1021/ic051759k","","","0.71073","MoKα","","0.1908","0.1203","","","0.3301","0.3788","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340205","13.1376","0.0015","16.701","0.002","26.734","0.003","105.424","0.003","100.28","0.003","93.037","0.003","5532.4","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90.67 H123 Cu4 F12 N17.33 O22 S4 -","- C90.66 H122.99 Cu4 F12 N17.33 O22 S4 -","- C181.32 H245.98 Cu8 F24 N34.66 O44 S8 -","2","1","","Company, Anna; Gómez, Laura; López Valbuena, Josep Maria; Mas-Ballesté, Ruben; Benet-Buchholz, Jordi; Llobet, Antoni; Costas, Miquel","Isomeric molecular rectangles resulting from self-assembly of dicopper complexes of macrocyclic ligands.","Inorganic chemistry","2006","45","6","2501","2508","10.1021/ic051759k","","","0.71073","MoKα","","0.1363","0.0905","","","0.2653","0.3046","","","","","","1.037","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340206","41.432","0.005","12.453","0.002","26.216","0.003","90","","127.805","0.005","90","","10687","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 H115.5 Cl4 Cu4 N14.5 O25 -","- C81 H115.5 Cl4 Cu4 N14.5 O24.99 -","- C324 H462 Cl16 Cu16 N58 O99.96 -","4","0.5","","Company, Anna; Gómez, Laura; López Valbuena, Josep Maria; Mas-Ballesté, Ruben; Benet-Buchholz, Jordi; Llobet, Antoni; Costas, Miquel","Isomeric molecular rectangles resulting from self-assembly of dicopper complexes of macrocyclic ligands.","Inorganic chemistry","2006","45","6","2501","2508","10.1021/ic051759k","","","0.71073","MoKα","","0.0974","0.0687","","","0.2023","0.2268","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340207","8.4647","0.0012","12.592","0.003","12.531","0.002","90","","106.645","0.011","90","","1279.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 N4 Ni2 O6 S4 -","- C18 H40 N4 Ni2 O6 S4 -","- C36 H80 N8 Ni4 O12 S8 -","2","0.5","","Chohan, Balwant S.; Maroney, Michael J.","Selective oxidations of a dithiolate complex produce a mixed sulfonate/thiolate complex.","Inorganic chemistry","2006","45","5","1906","1908","10.1021/ic051982h","","","0.71073","MoKα","","0.0663","0.052","","","0.1286","0.1399","","","","","","1.037","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340208","9.977","0.002","17.347","0.004","24.129","0.005","90","","92","0.03","90","","4173.5","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 B2 Li2 Mg N4 O2 -","- C36 H66 B2 Li2 Mg N4 O2 -","- C144 H264 B8 Li8 Mg4 N16 O8 -","4","1","","Chivers, Tristram; Eisler, Dana J.; Fedorchuk, Chantall; Schatte, Gabriele; Tuononen, Heikki M.; Boeré, René T","Syntheses and structures of magnesium and zinc boraamidinates: EPR and DFT investigations of Li, Mg, Zn, B, and In complexes of the [PhB(NtBu)2].- anion radical.","Inorganic chemistry","2006","45","5","2119","2131","10.1021/ic0520014","","","0.71073","MoKα","","0.0721","0.0484","","","0.1166","0.1291","","","","","","1.035","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340209","13.057","0.003","17.268","0.004","19.428","0.004","90","","109.42","0.03","90","","4131.2","1.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 B2 Li2 N4 O2 Zn -","- C36 H66 B2 Li2 N4 O2 Zn -","- C144 H264 B8 Li8 N16 O8 Zn4 -","4","1","","Chivers, Tristram; Eisler, Dana J.; Fedorchuk, Chantall; Schatte, Gabriele; Tuononen, Heikki M.; Boeré, René T","Syntheses and structures of magnesium and zinc boraamidinates: EPR and DFT investigations of Li, Mg, Zn, B, and In complexes of the [PhB(NtBu)2].- anion radical.","Inorganic chemistry","2006","45","5","2119","2131","10.1021/ic0520014","","","0.71073","MoKα","","0.1323","0.0749","","","0.1726","0.2078","","","","","","1.031","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340210","10.142","0.002","12.481","0.003","18.091","0.004","89.81","0.03","81.72","0.03","73.45","0.03","2170.5","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H71 B Cl Li Mg2 N2 O3 -","- C34 H71 B Cl Li Mg2 N2 O3 -","- C68 H142 B2 Cl2 Li2 Mg4 N4 O6 -","2","1","","Chivers, Tristram; Eisler, Dana J.; Fedorchuk, Chantall; Schatte, Gabriele; Tuononen, Heikki M.; Boeré, René T","Syntheses and structures of magnesium and zinc boraamidinates: EPR and DFT investigations of Li, Mg, Zn, B, and In complexes of the [PhB(NtBu)2].- anion radical.","Inorganic chemistry","2006","45","5","2119","2131","10.1021/ic0520014","","","0.71073","MoKα","","0.0719","0.0609","","","0.1548","0.1654","","","","","","1.047","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340211","11.008","0.002","17.524","0.004","21.343","0.004","111.85","0.03","102.36","0.03","90.73","0.03","3713.4","1.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H118 B2 Mg2 N4 O4 -","- C76 H118 B2 Mg2 N4 O4 -","- C152 H236 B4 Mg4 N8 O8 -","2","1","","Chivers, Tristram; Eisler, Dana J.; Fedorchuk, Chantall; Schatte, Gabriele; Tuononen, Heikki M.; Boeré, René T","Syntheses and structures of magnesium and zinc boraamidinates: EPR and DFT investigations of Li, Mg, Zn, B, and In complexes of the [PhB(NtBu)2].- anion radical.","Inorganic chemistry","2006","45","5","2119","2131","10.1021/ic0520014","","","0.71073","MoKα","","0.1321","0.0754","","","0.1855","0.2244","","","","","","1.05","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340212","11.8251","0.0002","13.4014","0.0002","14.6888","0.0002","90","","106.965","0.001","90","","2226.48","0.06","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 Al B Cl N2 O -","- C18 H33 Al B Cl N2 O -","- C72 H132 Al4 B4 Cl4 N8 O4 -","4","1","","Chivers, Tristram; Eisler, Dana J.; Fedorchuk, Chantall; Schatte, Gabriele; Tuononen, Heikki M.; Boeré, René T","Syntheses and structures of magnesium and zinc boraamidinates: EPR and DFT investigations of Li, Mg, Zn, B, and In complexes of the [PhB(NtBu)2].- anion radical.","Inorganic chemistry","2006","45","5","2119","2131","10.1021/ic0520014","","","0.71073","MoKα","","0.0528","0.04","","","0.1051","0.1137","","","","","","1.025","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340213","12.887","0.009","24.8","0.009","8.865","0.007","90","","114.1","0.09","90","","2586","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 I6 Mn N6 Pb2 -","- C6 H12 I6 Mn N6 Pb2 -","- C24 H48 I24 Mn4 N24 Pb8 -","4","0.5","","Zhang, Zhang-Jing; Xiang, Sheng-Chang; Zhang, Yong-Fan; Wu, A-Qing; Cai, Li-Zhen; Guo, Guo-Cong; Huang, Jin-Shun","A new type of hybrid magnetic semiconductor based upon polymeric iodoplumbate and metal-organic complexes as templates.","Inorganic chemistry","2006","45","5","1972","1977","10.1021/ic051350v","","","0.71073","MoKα","","0.0552","0.0461","","","0.101","0.1059","","","","","","1.045","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340214","12.867","0.003","24.472","0.006","8.8642","0.0013","90","","114.101","0.001","90","","2547.9","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 Fe I6 N6 Pb2 -","- C6 Fe I6 N6 Pb2 -","- C24 Fe4 I24 N24 Pb8 -","4","0.5","","Zhang, Zhang-Jing; Xiang, Sheng-Chang; Zhang, Yong-Fan; Wu, A-Qing; Cai, Li-Zhen; Guo, Guo-Cong; Huang, Jin-Shun","A new type of hybrid magnetic semiconductor based upon polymeric iodoplumbate and metal-organic complexes as templates.","Inorganic chemistry","2006","45","5","1972","1977","10.1021/ic051350v","","","0.71073","MoKα","","0.0313","0.0272","","","0.0621","0.0643","","","","","","1.05","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340215","12.92","0.002","24.474","0.005","8.9493","0.0015","90","","114.271","0.013","90","","2579.7","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 I6 N6 Pb2 Zn -","- C6.0002 H8 I6 N6 Pb2 Zn -","- C24.0008 H32 I24 N24 Pb8 Zn4 -","4","0.5","","Zhang, Zhang-Jing; Xiang, Sheng-Chang; Zhang, Yong-Fan; Wu, A-Qing; Cai, Li-Zhen; Guo, Guo-Cong; Huang, Jin-Shun","A new type of hybrid magnetic semiconductor based upon polymeric iodoplumbate and metal-organic complexes as templates.","Inorganic chemistry","2006","45","5","1972","1977","10.1021/ic051350v","","","0.71073","MoKα","","0.0601","0.0393","","","0.0804","0.0878","","","","","","1.011","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340216","12.9194","0.0019","24.305","0.003","8.9589","0.0013","90","","114.595","0.002","90","","2557.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 I6 N6 Ni Pb2 -","- C6 H12 I6 N6 Ni Pb2 -","- C24 H48 I24 N24 Ni4 Pb8 -","4","0.5","","Zhang, Zhang-Jing; Xiang, Sheng-Chang; Zhang, Yong-Fan; Wu, A-Qing; Cai, Li-Zhen; Guo, Guo-Cong; Huang, Jin-Shun","A new type of hybrid magnetic semiconductor based upon polymeric iodoplumbate and metal-organic complexes as templates.","Inorganic chemistry","2006","45","5","1972","1977","10.1021/ic051350v","","","0.71073","MoKα","","0.0465","0.0383","","","0.0982","0.105","","","","","","1.008","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340217","11.252","0.0009","20.464","0.002","8.9153","0.0009","90","","98.16","0.01","90","","2032.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H29 F7 Fe N4 O3 P -","- C13 H29 F7 Fe N4 O3 P -","- C52 H116 F28 Fe4 N16 O12 P4 -","4","1","","Berry, John F.; Bill, Eckhard; García-Serres, Ricardo; Neese, Frank; Weyhermüller, Thomas; Wieghardt, Karl","Effect of N-methylation of macrocyclic amine ligands on the spin state of iron(III): a tale of two fluoro complexes.","Inorganic chemistry","2006","45","5","2027","2037","10.1021/ic051823y","","","0.71073","MoKα","","0.0867","0.0477","","0.1108","0.0979","","","","0.999","1.096","1.096","","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340218","8.907","0.0004","13.685","0.0006","18.6935","0.0008","90","","90","","90","","2278.59","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H31 Cl2 Fe N4 O2 -","- C15 H31 Cl3 Fe2 N4 O3 -","- C60 H124 Cl12 Fe8 N16 O12 -","4","1","","Berry, John F.; Bill, Eckhard; García-Serres, Ricardo; Neese, Frank; Weyhermüller, Thomas; Wieghardt, Karl","Effect of N-methylation of macrocyclic amine ligands on the spin state of iron(III): a tale of two fluoro complexes.","Inorganic chemistry","2006","45","5","2027","2037","10.1021/ic051823y","","","0.71073","MoKα","","0.0516","0.0407","","","0.0664","0.0691","","","","","","1.12","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340219","12.488","0.0004","11.0202","0.0003","15.0237","0.0005","90","","90","","90","","2067.57","0.11","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H31 F7 Fe N4 O2 P -","- C15 H31 F7 Fe N4 O2 P -","- C60 H124 F28 Fe4 N16 O8 P4 -","4","0.5","","Berry, John F.; Bill, Eckhard; García-Serres, Ricardo; Neese, Frank; Weyhermüller, Thomas; Wieghardt, Karl","Effect of N-methylation of macrocyclic amine ligands on the spin state of iron(III): a tale of two fluoro complexes.","Inorganic chemistry","2006","45","5","2027","2037","10.1021/ic051823y","","","0.71073","MoKα","","0.0669","0.0453","","","0.0793","0.0864","","","","","","1.075","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340220","15.2105","0.0007","10.9957","0.0005","15.9661","0.0008","90","","95.355","0.001","90","","2658.7","0.2","298","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{Hydrotris(3-isopropylpyrazol-1-yl)borato}- (isopropylthiolato)dioxomolybdenum(VI)","","- C21 H35 B Mo N6 O2 S -","- C21 H35 B Mo N6 O2 S -","- C84 H140 B4 Mo4 N24 O8 S4 -","4","1","","Malarek, Michael S.; Evans, David J.; Smith, Paul D.; Bleeker, Ashley R.; White, Jonathan M.; Young, Charles G.","Pi-acid/pi-base carbonyloxomolybdenum(IV) complexes and their oxomolybdenum(VI/IV) precursors.","Inorganic chemistry","2006","45","5","2209","2216","10.1021/ic0510314","","","0.71073","MoKα","","0.0407","0.0309","","","0.078","0.0816","","","","","","0.963","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340221","19.3498","0.0004","19.3498","0.0004","15.6532","0.0008","90","","90","","90","","5860.8","0.3","293","2","293","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","{Hydrotris(3-isopropylpyrazol-1-yl)borato}- dioxo(p-tolylthiolato)molybdenum(VI)","","- C25 H35 B Mo N6 O2 S -","- C25 H35 B Mo N6 O2 S -","- C200 H280 B8 Mo8 N48 O16 S8 -","8","1","","Malarek, Michael S.; Evans, David J.; Smith, Paul D.; Bleeker, Ashley R.; White, Jonathan M.; Young, Charles G.","Pi-acid/pi-base carbonyloxomolybdenum(IV) complexes and their oxomolybdenum(VI/IV) precursors.","Inorganic chemistry","2006","45","5","2209","2216","10.1021/ic0510314","","","0.71073","","","0.033","0.0281","","","0.0608","0.0621","","","","","","0.968","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340222","15.2064","0.0008","10.1692","0.0005","19.0274","0.0009","90","","103.837","0.001","90","","2857","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(benzylthiolato){Hydrotris(3-isopropyl- pyrazol-1-yl)borato}dioxomolybdenum(VI)","","- C25 H35 B Mo N6 O2 S -","- C25 H35 B Mo N6 O2 S -","- C100 H140 B4 Mo4 N24 O8 S4 -","4","1","","Malarek, Michael S.; Evans, David J.; Smith, Paul D.; Bleeker, Ashley R.; White, Jonathan M.; Young, Charles G.","Pi-acid/pi-base carbonyloxomolybdenum(IV) complexes and their oxomolybdenum(VI/IV) precursors.","Inorganic chemistry","2006","45","5","2209","2216","10.1021/ic0510314","","","0.71073","MoKα","","0.0273","0.0251","","","0.0674","0.0687","","","","","","1.036","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340223","9.018","0.0011","12.6643","0.0015","13.3832","0.0016","68.919","0.002","72.315","0.002","74.808","0.002","1338.5","0.3","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","Carbonyl{Hydrotris(3-isopropyl- pyrazol-1-yl)borato}(isopropyl- thiolato)oxomolybdenum(IV)","","- C22 H35 B Mo N6 O2 S -","- C22 H35 B Mo N6 O2 S -","- C44 H70 B2 Mo2 N12 O4 S2 -","2","1","","Malarek, Michael S.; Evans, David J.; Smith, Paul D.; Bleeker, Ashley R.; White, Jonathan M.; Young, Charles G.","Pi-acid/pi-base carbonyloxomolybdenum(IV) complexes and their oxomolybdenum(VI/IV) precursors.","Inorganic chemistry","2006","45","5","2209","2216","10.1021/ic0510314","","","0.71073","MoKα","","0.0875","0.0607","","","0.1179","0.1302","","","","","","1.032","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340224","29.497","0.002","29.497","0.002","29.497","0.002","90","","90","","90","","25665","3","293","2","293","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","Zn3 (HTB)2 (H2O)2","","","- C54 H28 N14 O14 Zn3 -","- C54 H24 N14 O14 Zn3 -","- C216 H96 N56 O56 Zn12 -","4","0.166667","","Ke, Yanxiong; Collins, David J.; Sun, Daofeng; Zhou, Hong-Cai","(10,3)-a Noninterpenetrated network built from a Piedfort ligand pair.","Inorganic chemistry","2006","45","5","1897","1899","10.1021/ic051900p","","","0.71073","MoKα","","0.0625","0.0329","","","0.0641","0.0694","","","","","","0.844","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340225","5.81","0.0012","15.87","0.003","16.473","0.003","90","","95.61","0.03","90","","1511.6","0.5","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 N8 O6 Pt -","- C8 H14 N8 O6 Pt -","- C32 H56 N32 O24 Pt4 -","4","1","","Willermann, Michael; Mulcahy, Clodagh; Sigel, Roland K. O.; Cerdà, Marta Morell; Freisinger, Eva; Sanz Miguel, Pablo J.; Roitzsch, Michael; Lippert, Bernhard","Pyrazine as a building block for molecular architectures with PtII.","Inorganic chemistry","2006","45","5","2093","2099","10.1021/ic051966k","","","0.71073","MoKα","","","0.0396","","","","0.0975","","","","","","0.928","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340226","34.927","0.007","10.663","0.002","13.479","0.003","90","","98.82","0.03","90","","4960.6","1.8","120","2","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 Ag Cl5 N12 O22 Pt2 -","- C28 H48 Ag Cl5 N12 O22 Pt2 -","- C112 H192 Ag4 Cl20 N48 O88 Pt8 -","4","0.5","","Willermann, Michael; Mulcahy, Clodagh; Sigel, Roland K. O.; Cerdà, Marta Morell; Freisinger, Eva; Sanz Miguel, Pablo J.; Roitzsch, Michael; Lippert, Bernhard","Pyrazine as a building block for molecular architectures with PtII.","Inorganic chemistry","2006","45","5","2093","2099","10.1021/ic051966k","","","0.71073","MoKα","","","0.0304","","","","0.0593","","","","","","1.068","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340227","7.8601","0.0016","11.126","0.002","8.9545","0.0018","90","","103.41","0.03","90","","761.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 N4 O3 Pt0.5 -","- C4 H7 N4 O3 Pt0.5 -","- C16 H28 N16 O12 Pt2 -","4","1","","Willermann, Michael; Mulcahy, Clodagh; Sigel, Roland K. O.; Cerdà, Marta Morell; Freisinger, Eva; Sanz Miguel, Pablo J.; Roitzsch, Michael; Lippert, Bernhard","Pyrazine as a building block for molecular architectures with PtII.","Inorganic chemistry","2006","45","5","2093","2099","10.1021/ic051966k","","","0.71073","MoKα","","0.0395","0.0178","","","0.0372","0.0397","","","","","","0.881","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340228","10.429","0.002","10.488","0.002","10.575","0.002","93.3","0.03","118.7","0.03","116.29","0.03","854.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H16 Cl4 N6 O8 Pt2 -","- C4 H16 Cl4 N6 O8 Pt2 -","- C8 H32 Cl8 N12 O16 Pt4 -","2","1","","Willermann, Michael; Mulcahy, Clodagh; Sigel, Roland K. O.; Cerdà, Marta Morell; Freisinger, Eva; Sanz Miguel, Pablo J.; Roitzsch, Michael; Lippert, Bernhard","Pyrazine as a building block for molecular architectures with PtII.","Inorganic chemistry","2006","45","5","2093","2099","10.1021/ic051966k","","","0.71069","MoKα","","0.0238","0.0208","","","0.051","0.0522","","","","","","1.1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4340229","10.819","0.0003","12.807","0.0004","13.713","0.0005","97.737","0.001","108.173","0.002","102.296","0.002","1722.01","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H52 O10 Ti2 -","- C30 H52 O10 Ti2 -","- C60 H104 O20 Ti4 -","2","1","","Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Synthesis and X-ray structures of new titanium(IV) aryloxides and their exploitation for the ring opening polymerization of epsilon-caprolactone.","Inorganic chemistry","2006","45","5","2282","2287","10.1021/ic051708n","","","0.71073","MoKα","","0.0814","0.0471","","","0.1196","0.1344","","","","","","1.033","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340230","8.513","0.0001","12.481","0.0002","12.627","0.0002","116.688","0.001","98.591","0.001","102.949","0.001","1119.02","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H52 Cl4 O12 Ti2 -","- C38 H52 Cl4 O12 Ti2 -","- C38 H52 Cl4 O12 Ti2 -","1","0.5","","Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Synthesis and X-ray structures of new titanium(IV) aryloxides and their exploitation for the ring opening polymerization of epsilon-caprolactone.","Inorganic chemistry","2006","45","5","2282","2287","10.1021/ic051708n","","","0.71073","MoKα","","0.0383","0.0327","","","0.0861","0.0891","","","","","","1.085","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340231","8.199","0.0006","17.901","0.0011","12.565","0.001","90","","95.881","0.003","90","","1834.5","0.2","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 O10 Ti2 -","- C32 H56 O10 Ti2 -","- C64 H112 O20 Ti4 -","2","0.5","","Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Synthesis and X-ray structures of new titanium(IV) aryloxides and their exploitation for the ring opening polymerization of epsilon-caprolactone.","Inorganic chemistry","2006","45","5","2282","2287","10.1021/ic051708n","","","0.71073","MoKα","","0.0717","0.0524","","","0.125","0.141","","","","","","1.056","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340232","7.995","0.0002","11.661","0.0003","12.223","0.0003","81.75","0.002","72.735","0.001","75.646","0.001","1051.22","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H68 O10 Ti2 -","- C38 H68 O10 Ti2 -","- C38 H68 O10 Ti2 -","1","0.5","","Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Synthesis and X-ray structures of new titanium(IV) aryloxides and their exploitation for the ring opening polymerization of epsilon-caprolactone.","Inorganic chemistry","2006","45","5","2282","2287","10.1021/ic051708n","","","0.71073","MoKα","","0.0723","0.0635","","","0.1502","0.154","","","","","","1.158","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340233","11.52","0.0001","17.579","0.0001","12.66","0.0002","90","","96.007","0.01","90","","2549.7","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H84 O10 Ti2 -","- C46 H84 O10 Ti2 -","- C92 H168 O20 Ti4 -","2","0.5","","Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Synthesis and X-ray structures of new titanium(IV) aryloxides and their exploitation for the ring opening polymerization of epsilon-caprolactone.","Inorganic chemistry","2006","45","5","2282","2287","10.1021/ic051708n","","","0.71073","MoKα","","0.0506","0.038","","","0.0852","0.0904","","","","","","1.061","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340234","8.828","0.0002","10.598","0.0002","13.265","0.0003","111.265","0.001","93.122","0.001","102.4","0.001","1117.58","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H60 Cl4 O12 Ti2 -","- C34 H60 Cl4 O12 Ti2 -","- C34 H60 Cl4 O12 Ti2 -","1","0.5","","Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Synthesis and X-ray structures of new titanium(IV) aryloxides and their exploitation for the ring opening polymerization of epsilon-caprolactone.","Inorganic chemistry","2006","45","5","2282","2287","10.1021/ic051708n","","","0.71073","MoKα","","0.0386","0.0313","","","0.0787","0.0832","","","","","","1.057","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340235","8.177","0.0001","11.39","0.0002","20.813","0.0004","90","","101.152","0.001","90","","1901.84","0.06","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 N2 O14 Ti2 -","- C30 H50 N2 O14 Ti2 -","- C60 H100 N4 O28 Ti4 -","2","0.5","","Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Synthesis and X-ray structures of new titanium(IV) aryloxides and their exploitation for the ring opening polymerization of epsilon-caprolactone.","Inorganic chemistry","2006","45","5","2282","2287","10.1021/ic051708n","","","0.71073","MoKα","","0.0667","0.0507","","","0.1275","0.139","","","","","","1.027","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340236","10.009","0.002","10.247","0.002","15.618","0.003","76.25","0.03","71.59","0.03","87.36","0.03","1475.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N10 Ni2 S8 -","- C22 H14 N10 Ni2 S8 -","- C44 H28 N20 Ni4 S16 -","2","1","","Ren, X. M.; Nishihara, S.; Akutagawa, T.; Noro, S.; Nakamura, T.","Design of a magnetic bistability molecular system constructed by H-bonding and pi...pi-stacking interactions.","Inorganic chemistry","2006","45","5","2229","2234","10.1021/ic051563k","","","0.71073","MoKα","","0.0557","0.0336","","","0.083","0.1189","","","","","","1.108","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340237","9.972","0.005","10.022","0.004","15.416","0.008","70.825","0.015","78.295","0.018","87.343","0.017","1424.6","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N10 Ni2 S8 -","- C22 H14 N10 Ni2 S8 -","- C44 H28 N20 Ni4 S16 -","2","1","","Ren, X. M.; Nishihara, S.; Akutagawa, T.; Noro, S.; Nakamura, T.","Design of a magnetic bistability molecular system constructed by H-bonding and pi...pi-stacking interactions.","Inorganic chemistry","2006","45","5","2229","2234","10.1021/ic051563k","","","0.71073","MoKα","","0.0574","0.0447","","","0.1299","0.1675","","","","","","1.062","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340238","6.4778","0.0013","14.959","0.003","15.262","0.003","89.6","0.03","81.07","0.03","82.61","0.03","1448.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N10 Ni2 S8 -","- C22 H14 N10 Ni2 S8 -","- C44 H28 N20 Ni4 S16 -","2","1","","Ren, X. M.; Nishihara, S.; Akutagawa, T.; Noro, S.; Nakamura, T.","Design of a magnetic bistability molecular system constructed by H-bonding and pi...pi-stacking interactions.","Inorganic chemistry","2006","45","5","2229","2234","10.1021/ic051563k","","","0.71073","MoKα","","0.0352","0.0245","","","0.0574","0.078","","","","","","1.056","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340239","6.3719","0.0013","15.013","0.003","15.016","0.003","89.88","0.03","82.23","0.03","82.44","0.03","1410.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N10 Ni2 S8 -","- C22 H14 N10 Ni2 S8 -","- C44 H28 N20 Ni4 S16 -","2","1","","Ren, X. M.; Nishihara, S.; Akutagawa, T.; Noro, S.; Nakamura, T.","Design of a magnetic bistability molecular system constructed by H-bonding and pi...pi-stacking interactions.","Inorganic chemistry","2006","45","5","2229","2234","10.1021/ic051563k","","","0.71073","MoKα","","0.0325","0.0262","","","0.09","0.1197","","","","","","1.018","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340240","9.419","0.003","12.9","0.004","13.893","0.004","110.198","0.004","104.902","0.005","95.536","0.004","1498.7","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H31 Au Cl N2 O4 P -","- C32 H31 Au Cl N2 O4 P -","- C64 H62 Au2 Cl2 N4 O8 P2 -","2","1","","Li, Qing-Shan; Wan, Chong-Qing; Zou, Ru-Yi; Xu, Feng-Bo; Song, Hai-Bin; Wan, Xiang-Jian; Zhang, Zheng-Zhi","Gold(I) eta2-arene complexes.","Inorganic chemistry","2006","45","5","1888","1890","10.1021/ic051869r","","","0.71073","MoKα","","0.0635","0.0415","","","0.0855","0.1006","","","","","","1.074","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340241","9.595","0.003","16.081","0.005","17.189","0.005","90","","92.575","0.005","90","","2649.5","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Au Cl N P -","- C30 H28 Au Cl N P -","- C120 H112 Au4 Cl4 N4 P4 -","4","1","","Li, Qing-Shan; Wan, Chong-Qing; Zou, Ru-Yi; Xu, Feng-Bo; Song, Hai-Bin; Wan, Xiang-Jian; Zhang, Zheng-Zhi","Gold(I) eta2-arene complexes.","Inorganic chemistry","2006","45","5","1888","1890","10.1021/ic051869r","","","0.71073","MoKα","","0.1102","0.0511","","","0.065","0.0763","","","","","","1.012","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340242","13.248","0.003","16.329","0.003","20.24","0.004","90","","90.25","0.03","90","","4378.4","1.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H43 Au Cl N O4 P2 S -","- C48 H43 Au Cl N O4 P2 S -","- C192 H172 Au4 Cl4 N4 O16 P8 S4 -","4","1","","Li, Qing-Shan; Wan, Chong-Qing; Zou, Ru-Yi; Xu, Feng-Bo; Song, Hai-Bin; Wan, Xiang-Jian; Zhang, Zheng-Zhi","Gold(I) eta2-arene complexes.","Inorganic chemistry","2006","45","5","1888","1890","10.1021/ic051869r","","","0.71073","MoKα","","0.1615","0.1154","","","0.3116","0.3313","","","","","","1.125","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340243","10.2098","0.001","23.903","0.002","13.1372","0.0013","90","","90","","90","","3206.1","0.5","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C35 H33 Au Cl N2 O4 P -","- C35 H33 Au Cl N2 O4 P -","- C140 H132 Au4 Cl4 N8 O16 P4 -","4","1","","Li, Qing-Shan; Wan, Chong-Qing; Zou, Ru-Yi; Xu, Feng-Bo; Song, Hai-Bin; Wan, Xiang-Jian; Zhang, Zheng-Zhi","Gold(I) eta2-arene complexes.","Inorganic chemistry","2006","45","5","1888","1890","10.1021/ic051869r","","","0.71073","MoKα","","0.0459","0.0317","","","0.0679","0.071","","","","","","0.955","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340244","27.528","0.002","7.0944","0.0007","22.914","0.0018","90","","92.13","0.006","90","","4471.9","0.7","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H27 Cu K N2 O6.5 -","- C21.5 H27 Cu K N2 O6.5 -","- C172 H216 Cu8 K8 N16 O52 -","8","1","","Costes, Jean-Pierre; Auchel, Magali; Dahan, Françoise; Peyrou, Viviane; Shova, Sergiu; Wernsdorfer, Wolfgang","Synthesis, structures, and magnetic properties of tetranuclear CuII-LnIII complexes.","Inorganic chemistry","2006","45","5","1924","1934","10.1021/ic050587o","","","0.7093","MoKα","","0.0491","0.0363","","","0.079","0.0831","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340245","11.076","0.0009","21.4542","0.0017","15.3362","0.0014","90","","101.474","0.01","90","","3571.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 N7 Ni O11 -","- C33 H41 N7 Ni O11 -","- C132 H164 N28 Ni4 O44 -","4","1","","Costes, Jean-Pierre; Auchel, Magali; Dahan, Françoise; Peyrou, Viviane; Shova, Sergiu; Wernsdorfer, Wolfgang","Synthesis, structures, and magnetic properties of tetranuclear CuII-LnIII complexes.","Inorganic chemistry","2006","45","5","1924","1934","10.1021/ic050587o","","","0.71073","MoKα","","0.0669","0.0413","","","0.0907","0.1042","","","","","","0.934","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340246","8.6821","0.0017","11.848","0.002","11.928","0.002","81.77","0.03","89.17","0.03","85.49","0.03","1210.6","0.4","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cu N5 O11 Tb -","- C20 H22 Cu N5 O11 Tb -","- C40 H44 Cu2 N10 O22 Tb2 -","2","1","","Costes, Jean-Pierre; Auchel, Magali; Dahan, Françoise; Peyrou, Viviane; Shova, Sergiu; Wernsdorfer, Wolfgang","Synthesis, structures, and magnetic properties of tetranuclear CuII-LnIII complexes.","Inorganic chemistry","2006","45","5","1924","1934","10.1021/ic050587o","","","0.71073","MoKα","","0.0285","0.021","","","0.0469","0.0484","","","","","","0.948","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340247","25.475","0.005","12.934","0.003","15.023","0.003","90","","91.06","0.03","90","","4949.1","1.8","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 Cu N4 O12 Tb -","- C21 H25 Cu N4 O12 Tb -","- C168 H200 Cu8 N32 O96 Tb8 -","8","1","","Costes, Jean-Pierre; Auchel, Magali; Dahan, Françoise; Peyrou, Viviane; Shova, Sergiu; Wernsdorfer, Wolfgang","Synthesis, structures, and magnetic properties of tetranuclear CuII-LnIII complexes.","Inorganic chemistry","2006","45","5","1924","1934","10.1021/ic050587o","","","0.71073","MoKα","","0.0771","0.0682","","","0.179","0.1823","","","","","","1.237","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340248","7.6069","0.0007","16.3204","0.0015","16.6671","0.0015","90","","90","","90","","2069.2","0.3","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","W(Hhpp)2(CO)4","Tungsten(0) bis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinate) tetra(carbonyl)","","- C18 H26 N6 O4 W -","- C18 H26 N6 O4 W -","- C72 H104 N24 O16 W4 -","4","0.5","","Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping","Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds.","Inorganic chemistry","2006","45","1","201","213","10.1021/ic0515709","","","0.71073","MoKα","","0.0233","0.0179","","","0.0441","0.0474","","","","","","1.107","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340249","9.1469","0.0009","10.8208","0.001","11.8963","0.0012","102.471","0.002","101.692","0.002","114.904","0.002","983.81","0.17","213","2","213","2","","","","","","","","6","P -1","-P 1","2","W2(μ-hpp)2(η-hpp)2(μ-CO)2,2CH2Cl2","","","- C32 H52 Cl4 N12 O2 W2 -","- C32 H52 Cl4 N12 O2 W2 -","- C32 H52 Cl4 N12 O2 W2 -","1","0.5","","Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping","Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds.","Inorganic chemistry","2006","45","1","201","213","10.1021/ic0515709","","","0.71073","MoKα","","0.0292","0.0272","","","0.0682","0.07","","","","","","1.029","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340250","8.7824","0.0008","15.7308","0.0014","14.3831","0.0013","90","","94.85","0.002","90","","1980","0.3","213","2","213","2","","","","","","","","8","P 1 21 1","P 2yb","4","[W2(hpp)4(μ-CO)2][PF6],(CH2Cl2)","","","- C31 H50 Cl2 F6 N12 O2 P W2 -","- C31 H50 Cl2 F6 N12 O2 P W2 -","- C62 H100 Cl4 F12 N24 O4 P2 W4 -","2","1","","Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping","Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds.","Inorganic chemistry","2006","45","1","201","213","10.1021/ic0515709","","","0.71073","MoKα","","0.0354","0.0283","","","0.0603","0.0632","","","","","","1.021","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340251","13.2005","0.0017","14.863","0.002","26.035","0.003","87.365","0.002","88.944","0.002","76.617","0.002","4963.9","1.1","213","2","213","2","","","","","","","","6","P -1","-P 1","2","[W2(hpp)4][TFPB]2","Bis(tetra(3,5-bis(trifluoromethyl)phenyl)borate)[W2(hpp)4]","","- C92 H72 B2 F48 N12 W2 -","- C92 H72 B2 F48 N12 W2 -","- C184 H144 B4 F96 N24 W4 -","2","1","","Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping","Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds.","Inorganic chemistry","2006","45","1","201","213","10.1021/ic0515709","","","0.71073","MoKα","","0.0553","0.0409","","","0.0955","0.1054","","","","","","1.019","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340252","8.0954","0.0009","14.7876","0.0017","17.043","0.002","90","","91.28","0.002","90","","2039.7","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tungsten(0) bis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinate) tetra(carbonyl)","","- C18 H26 N6 O4 W -","- C18 H26 N6 O4 W -","- C72 H104 N24 O16 W4 -","4","1","","Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping","Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds.","Inorganic chemistry","2006","45","1","201","213","10.1021/ic0515709","","","0.71073","MoKα","","0.0178","0.0149","","","0.0352","0.0364","","","","","","1.032","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340253","7.6716","0.0015","16.498","0.003","16.824","0.003","90","","90","","90","","2129.3","0.7","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Mo(Hhpp)2(CO)4","Molybdenum(0) bis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinate) tetra(carbonyl)","","- C18 H26 Mo N6 O4 -","- C18 H26 Mo N6 O4 -","- C72 H104 Mo4 N24 O16 -","4","0.5","","Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping","Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds.","Inorganic chemistry","2006","45","1","201","213","10.1021/ic0515709","","","0.71073","MoKα","","0.0921","0.0752","","","0.1424","0.1491","","","","","","1.293","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340254","16.611","0.002","9.1254","0.0013","24.082","0.003","90","","92.341","0.002","90","","3647.4","0.8","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[W2(hpp)4(μ-CO)2][PF6]","","","- C30 H48 F6 N12 O2 P W2 -","- C30 H48 F6 N12 O2 P W2 -","- C120 H192 F24 N48 O8 P4 W8 -","4","0.5","","Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping","Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds.","Inorganic chemistry","2006","45","1","201","213","10.1021/ic0515709","","","0.71073","MoKα","","0.0581","0.0397","","","0.0906","0.0989","","","","","","1.03","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340255","11.7074","0.0012","11.7074","0.0012","17.856","0.004","90","","90","","90","","2447.4","0.7","213","2","213","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C36 H64 F12 N14 O P2 W2 -","- C36 H73.2 F12 N14 O P2 W2 -","- C72 H146.4 F24 N28 O2 P4 W4 -","2","0.0625","","Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping","Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds.","Inorganic chemistry","2006","45","1","201","213","10.1021/ic0515709","","","0.71073","MoKα","","0.0196","0.018","","","0.0535","0.0564","","","","","","1.136","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340256","10.091","0.005","14.828","0.007","19.711","0.009","90","","90","","90","","2949","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O14 Zn2 -","- C26 H24 N2 O14 Zn2 -","- C104 H96 N8 O56 Zn8 -","4","1","","Zang, Shuangquan; Su, Yang; Li, Yizhi; Ni, Zhaoping; Meng, Qingjin","Assemblies of a new flexible multicarboxylate ligand and d10 metal centers toward the construction of homochiral helical coordination polymers: structures, luminescence, and NLO-active properties.","Inorganic chemistry","2006","45","1","174","180","10.1021/ic051502m","","","0.71073","MoKα","","0.0648","0.0538","","","0.1178","0.121","","","","","","1.072","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340257","13.3739","0.0007","13.7489","0.0008","18.6149","0.001","86.314","0.001","88.223","0.001","78.625","0.001","3348.1","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 F6 N4 O8 Os S4 -","- C26 H28 F6 N4 O8 Os S4 -","- C104 H112 F24 N16 O32 Os4 S16 -","4","2","","Mockus, Nicholas V.; Petersen, Jeffrey L.; Rack, Jeffrey J.","Subnanosecond isomerization in an osmium-dimethyl sulfoxide complex.","Inorganic chemistry","2006","45","1","8","10","10.1021/ic051720f","","","0.71073","MoKα","","0.0568","0.0443","","","0.1134","0.1207","","","","","","1","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340258","13.399","0.0015","14.7829","0.0017","12.4177","0.0013","95.274","0.013","95.28","0.013","92.053","0.014","2436.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H65 Cu N2 O11 Tb -","- C45 H65 Cu N2 O11 Tb -","- C90 H130 Cu2 N4 O22 Tb2 -","2","1","","Costes, Jean-Pierre; Dahan, Françoise; Wernsdorfer, Wolfgang","Heterodinuclear Cu-Tb single-molecule magnet.","Inorganic chemistry","2006","45","1","5","7","10.1021/ic050563h","","","0.71073","MoKα","","0.0261","0.0247","","","0.0636","0.064","","","","","","1.08","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340259","13.3566","0.0016","15.1124","0.0018","12.563","0.0015","95.657","0.014","94.185","0.015","93.312","0.014","2511.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H65 La N2 O11 Zn -","- C45 H65 La N2 O11 Zn -","- C90 H130 La2 N4 O22 Zn2 -","2","1","","Costes, Jean-Pierre; Dahan, Françoise; Wernsdorfer, Wolfgang","Heterodinuclear Cu-Tb single-molecule magnet.","Inorganic chemistry","2006","45","1","5","7","10.1021/ic050563h","","","0.71073","MoKα","","0.0459","0.036","","","0.0735","0.0765","","","","","","1.043","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340260","7.3135","0.0014","8.5002","0.0017","9.2998","0.0018","112.946","0.003","91.242","0.003","100.638","0.003","520.43","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cu2 N8 O8 -","- C16 H16 Cu2 N8 O8 -","- C16 H16 Cu2 N8 O8 -","1","0.5","","Hu, Tong-Liang; Li, Jian-Rong; Liu, Chun-Sen; Shi, Xue-Song; Zhou, Jiang-Ning; Bu, Xian-He; Ribas, Joan","Syntheses, crystal structures, and magneto-structural correlations of novel Cu(II) complexes containing a planar [Cu(mu-L1)]2 (HL1 = 3-(2-pyridyl)pyrazole) unit: from dinuclear to tetranuclear and then to one-dimensional compounds.","Inorganic chemistry","2006","45","1","162","173","10.1021/ic051488d","","","0.71073","MoKα","","0.037","0.0304","","","0.0756","0.0802","","","","","","1.049","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340261","8.773","0.003","10.25","0.004","11.198","0.004","74.796","0.006","70.617","0.006","80.12","0.006","912.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Cl2 Cu2 N12 O8 -","- C32 H26 Cl2 Cu2 N12 O8 -","- C32 H26 Cl2 Cu2 N12 O8 -","1","0.5","","Hu, Tong-Liang; Li, Jian-Rong; Liu, Chun-Sen; Shi, Xue-Song; Zhou, Jiang-Ning; Bu, Xian-He; Ribas, Joan","Syntheses, crystal structures, and magneto-structural correlations of novel Cu(II) complexes containing a planar [Cu(mu-L1)]2 (HL1 = 3-(2-pyridyl)pyrazole) unit: from dinuclear to tetranuclear and then to one-dimensional compounds.","Inorganic chemistry","2006","45","1","162","173","10.1021/ic051488d","","","0.71073","MoKα","","0.0838","0.0498","","","0.1066","0.1204","","","","","","1.012","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340262","10.3984","0.0015","21.386","0.003","10.8701","0.0016","90","","95.392","0.002","90","","2406.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Cu4 N20 O6 -","- C48 H36 Cu4 N20 O6 -","- C96 H72 Cu8 N40 O12 -","2","0.5","","Hu, Tong-Liang; Li, Jian-Rong; Liu, Chun-Sen; Shi, Xue-Song; Zhou, Jiang-Ning; Bu, Xian-He; Ribas, Joan","Syntheses, crystal structures, and magneto-structural correlations of novel Cu(II) complexes containing a planar [Cu(mu-L1)]2 (HL1 = 3-(2-pyridyl)pyrazole) unit: from dinuclear to tetranuclear and then to one-dimensional compounds.","Inorganic chemistry","2006","45","1","162","173","10.1021/ic051488d","","","0.71073","MoKα","","0.0449","0.0337","","","0.0779","0.0815","","","","","","1.042","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340263","12.884","0.003","18.068","0.004","12.618","0.003","90","","103.291","0.004","90","","2858.6","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 Cu4 N24 O0 -","- C64 H48 Cu4 N24 -","- C128 H96 Cu8 N48 -","2","0.5","","Hu, Tong-Liang; Li, Jian-Rong; Liu, Chun-Sen; Shi, Xue-Song; Zhou, Jiang-Ning; Bu, Xian-He; Ribas, Joan","Syntheses, crystal structures, and magneto-structural correlations of novel Cu(II) complexes containing a planar [Cu(mu-L1)]2 (HL1 = 3-(2-pyridyl)pyrazole) unit: from dinuclear to tetranuclear and then to one-dimensional compounds.","Inorganic chemistry","2006","45","1","162","173","10.1021/ic051488d","","","0.71073","MoKα","","0.1172","0.0666","","","0.116","0.1343","","","","","","0.989","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340264","19.674","0.006","12.787","0.004","21.57","0.007","90","","97.964","0.005","90","","5374","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 Cu2 N9 O2 -","- C30 H21 Cu2 N9 O2 -","- C240 H168 Cu16 N72 O16 -","8","1","","Hu, Tong-Liang; Li, Jian-Rong; Liu, Chun-Sen; Shi, Xue-Song; Zhou, Jiang-Ning; Bu, Xian-He; Ribas, Joan","Syntheses, crystal structures, and magneto-structural correlations of novel Cu(II) complexes containing a planar [Cu(mu-L1)]2 (HL1 = 3-(2-pyridyl)pyrazole) unit: from dinuclear to tetranuclear and then to one-dimensional compounds.","Inorganic chemistry","2006","45","1","162","173","10.1021/ic051488d","","","0.71073","MoKα","","0.0934","0.0606","","","0.1152","0.1274","","","","","","1.04","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4340265","12.112","0.003","12.42","0.003","19.217","0.004","90","","104.611","0.004","90","","2797.3","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cu2 N9 O2 -","- C28 H20 Cu2 N9 O2 -","- C112 H80 Cu8 N36 O8 -","4","1","","Hu, Tong-Liang; Li, Jian-Rong; Liu, Chun-Sen; Shi, Xue-Song; Zhou, Jiang-Ning; Bu, Xian-He; Ribas, Joan","Syntheses, crystal structures, and magneto-structural correlations of novel Cu(II) complexes containing a planar [Cu(mu-L1)]2 (HL1 = 3-(2-pyridyl)pyrazole) unit: from dinuclear to tetranuclear and then to one-dimensional compounds.","Inorganic chemistry","2006","45","1","162","173","10.1021/ic051488d","","","0.71073","MoKα","","0.102","0.0551","","","0.1021","0.1187","","","","","","0.97","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340266","8.3477","0.0019","12.348","0.003","23.053","0.005","87.232","0.004","81.369","0.004","84.222","0.004","2336.1","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H30 Cu4 N14 O11 -","- C46 H30 Cu4 N14 O11 -","- C92 H60 Cu8 N28 O22 -","2","1","","Hu, Tong-Liang; Li, Jian-Rong; Liu, Chun-Sen; Shi, Xue-Song; Zhou, Jiang-Ning; Bu, Xian-He; Ribas, Joan","Syntheses, crystal structures, and magneto-structural correlations of novel Cu(II) complexes containing a planar [Cu(mu-L1)]2 (HL1 = 3-(2-pyridyl)pyrazole) unit: from dinuclear to tetranuclear and then to one-dimensional compounds.","Inorganic chemistry","2006","45","1","162","173","10.1021/ic051488d","","","0.71073","MoKα","","0.1128","0.0697","","","0.137","0.1582","","","","","","0.978","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340267","13.4902","0.0004","27.426","0.001","29.1409","0.001","90","","102.258","0.002","90","","10535.8","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52.25 H48 Ag2 Cl1.5 N8 O8 -","- C52.25 H44 Ag2 Cl1.5 N8 O8 -","- C418 H352 Ag16 Cl12 N64 O64 -","8","1","","Wu, Huang-Chun; Thanasekaran, P.; Tsai, Chi-Hwe; Wu, Jing-Yun; Huang, Sheng-Ming; Wen, Yuh-Sheng; Lu, Kuang-Lieh","Self-assembly, reorganization, and photophysical properties of silver(I)-Schiff-base molecular rectangle and polymeric array species.","Inorganic chemistry","2006","45","1","295","303","10.1021/ic051235k","","","0.71073","MoKα","","0.3308","0.0691","","","0.1811","0.213","","","","","","0.663","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340268","8.4844","0.0007","8.8717","0.0008","14.8556","0.0013","93.063","0.002","101.094","0.002","116.862","0.002","966.23","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H27 Cl3 N4 W -","- C12 H27 Cl3 N4 W -","- C24 H54 Cl6 N8 W2 -","2","1","","Wilder, Corey B.; Reitfort, Laurel L.; Abboud, Khalil A.; McElwee-White, Lisa","Synthesis and structural investigation of tungsten imido amidinate and guanidinate complexes.","Inorganic chemistry","2006","45","1","263","268","10.1021/ic051497m","","","0.71073","MoKα","","0.0361","0.0264","","","0.0487","0.0502","","","","","","0.935","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340269","16.6234","0.0011","13.9173","0.0009","16.9854","0.0011","90","","114.095","0.002","90","","3587.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 Cl3 N3 W -","- C11 H24 Cl3 N3 W -","- C88 H192 Cl24 N24 W8 -","8","2","","Wilder, Corey B.; Reitfort, Laurel L.; Abboud, Khalil A.; McElwee-White, Lisa","Synthesis and structural investigation of tungsten imido amidinate and guanidinate complexes.","Inorganic chemistry","2006","45","1","263","268","10.1021/ic051497m","","","0.71073","MoKα","","0.0325","0.0256","","","0.0632","0.066","","","","","","1.041","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340270","7.5955","0.0002","21.3584","0.0006","11.044","0.0003","90","","102.502","0.001","90","","1749.16","0.08","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 B9 N2 O Ru -","- C13 H19 B9 N2 O Ru -","- C52 H76 B36 N8 O4 Ru4 -","4","1","","Jelliss, Paul A.; Mason, Justin; Nazzoli, Jamie M.; Orlando, Justin H.; Vinson, Albert; Rath, Nigam P.; Shaw, Michael J.","Synthesis and characterization of ruthenacarborane complexes incorporating chelating N-donor ligands: unexpected luminescence from the complex [3-CO-3,3-kappa2-Me2N(CH2)2NMe2]-closo-3,1,2-RuC2B9H11].","Inorganic chemistry","2006","45","1","370","385","10.1021/ic051463e","","","0.71073","MoKα","","0.0594","0.053","","","0.0891","0.0911","","","","","","1.237","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340271","8.8155","0.0001","13.1217","0.0002","15.2641","0.0002","90","","90","","90","","1765.66","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H27 B9 N2 O Ru -","- C9 H27 B9 N2 O Ru -","- C36 H108 B36 N8 O4 Ru4 -","4","1","","Jelliss, Paul A.; Mason, Justin; Nazzoli, Jamie M.; Orlando, Justin H.; Vinson, Albert; Rath, Nigam P.; Shaw, Michael J.","Synthesis and characterization of ruthenacarborane complexes incorporating chelating N-donor ligands: unexpected luminescence from the complex [3-CO-3,3-kappa2-Me2N(CH2)2NMe2]-closo-3,1,2-RuC2B9H11].","Inorganic chemistry","2006","45","1","370","385","10.1021/ic051463e","","","0.71073","MoKα","","0.0554","0.053","","","0.0806","0.0812","","","","","","1.288","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340272","10.0448","0.0008","11.3453","0.0009","14.8839","0.0012","71.095","0.001","73.951","0.001","69.185","0.001","1474.8","0.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H82 O4 S2 Sm2 -","- C66 H82 O4 S2 Sm2 -","- C66 H82 O4 S2 Sm2 -","1","0.5","","Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.","Synthesis of (O2CEPh)1- ligands (E = S, Se) by CO2 insertion into lanthanide chalcogen bonds and their utility in forming crystallographically characterizable organoaluminum complexes [Me2Al(mu-O2CEPh)]2.","Inorganic chemistry","2006","45","1","424","429","10.1021/ic0515610","","","0.71073","MoKα","","0.0216","0.0189","","","0.0451","0.0467","","","","","","1.063","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340273","9.6264","0.001","17.088","0.0018","17.0045","0.0018","90","","102.183","0.002","90","","2734.2","0.5","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H43 O2 Sm -","- C30 H43 O2 Sm -","- C120 H172 O8 Sm4 -","4","1","","Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.","Synthesis of (O2CEPh)1- ligands (E = S, Se) by CO2 insertion into lanthanide chalcogen bonds and their utility in forming crystallographically characterizable organoaluminum complexes [Me2Al(mu-O2CEPh)]2.","Inorganic chemistry","2006","45","1","424","429","10.1021/ic0515610","","","0.71073","MoKα","","0.0245","0.0209","","","0.0516","0.0535","","","","","","1.083","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4340274","7.5821","0.0008","7.8593","0.0009","9.7855","0.0011","95.797","0.002","90.635","0.002","109.368","0.002","546.69","0.11","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Al2 O4 Se2 -","- C18 H22 Al2 O4 Se2 -","- C18 H22 Al2 O4 Se2 -","1","0.5","","Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.","Synthesis of (O2CEPh)1- ligands (E = S, Se) by CO2 insertion into lanthanide chalcogen bonds and their utility in forming crystallographically characterizable organoaluminum complexes [Me2Al(mu-O2CEPh)]2.","Inorganic chemistry","2006","45","1","424","429","10.1021/ic0515610","","","0.71073","MoKα","","0.0236","0.0208","","","0.0495","0.0508","","","","","","1.04","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340275","10.0816","0.0009","11.4143","0.001","14.9377","0.0012","71.106","0.001","73.616","0.001","69.28","0.001","1493.6","0.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H82 O4 Se2 Sm2 -","- C66 H82 O4 Se2 Sm2 -","- C66 H82 O4 Se2 Sm2 -","1","0.5","","Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.","Synthesis of (O2CEPh)1- ligands (E = S, Se) by CO2 insertion into lanthanide chalcogen bonds and their utility in forming crystallographically characterizable organoaluminum complexes [Me2Al(mu-O2CEPh)]2.","Inorganic chemistry","2006","45","1","424","429","10.1021/ic0515610","","","0.71073","MoKα","","0.0189","0.0176","","","0.0431","0.0437","","","","","","1.05","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340276","7.3848","0.0007","7.8025","0.0007","9.7743","0.0009","95.896","0.002","90.289","0.002","108.727","0.002","530.12","0.08","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Al2 O4 S2 -","- C18 H22 Al2 O4 S2 -","- C18 H22 Al2 O4 S2 -","1","0.5","","Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.","Synthesis of (O2CEPh)1- ligands (E = S, Se) by CO2 insertion into lanthanide chalcogen bonds and their utility in forming crystallographically characterizable organoaluminum complexes [Me2Al(mu-O2CEPh)]2.","Inorganic chemistry","2006","45","1","424","429","10.1021/ic0515610","","","0.71073","MoKα","","0.036","0.0288","","","0.073","0.0777","","","","","","1.027","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340277","6.9199","0.0019","23.956","0.007","7.287","0.002","90","","94.081","0.004","90","","1204.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,7-diiodo-closo-1,2-dicarba-dodecaborane","","- C2 H10 B10 I2 -","- C2 H10 B10 I2 -","- C8 H40 B40 I8 -","4","1","","Ramachandran, Bhaskar M.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Synthesis and structural characterization of symmetrical closo-4,7-I2-1,2-C2B10H10 and [(CH3)3NH][nido-2,4-I2-7,8-C2B9H10].","Inorganic chemistry","2006","45","1","336","340","10.1021/ic051395w","","","0.71073","MoKα","","0.0222","0.0199","","","0.0608","0.0621","","","","","","1.005","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340278","14.1141","0.0007","7.0276","0.0004","16.4602","0.0009","90","","90","","90","","1632.66","0.15","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","trimethylammonium-2,4-diiodo-nido-7,8-dicarbanonacarborane","","- C5 H20 B9 I2 N -","- C5 H20 B9 I2 N -","- C20 H80 B36 I8 N4 -","4","1","","Ramachandran, Bhaskar M.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Synthesis and structural characterization of symmetrical closo-4,7-I2-1,2-C2B10H10 and [(CH3)3NH][nido-2,4-I2-7,8-C2B9H10].","Inorganic chemistry","2006","45","1","336","340","10.1021/ic051395w","","","0.71073","MoKα","","0.0246","0.022","","","0.0623","0.0639","","","","","","1.018","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340279","16.47","0.005","48.28","0.014","20.509","0.006","90","","105.962","0.007","90","","15679","8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C114 H129 Mn12 N6 O47 P7 -","- C114 H129 Mn12 N6 O47 P7 -","- C456 H516 Mn48 N24 O188 P28 -","4","1","","Yao, Hong-Chang; Li, Yi-Zhi; Song, You; Ma, Yun-Sheng; Zheng, Li-Min; Xin, Xin-Quan","Dodecanuclear manganese(III) phosphonates with cage structures.","Inorganic chemistry","2006","45","1","59","65","10.1021/ic050775e","","","0.71073","MoKα","","0.0873","0.0585","","","0.1255","0.1324","","","","","","1.047","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340280","44.499","0.005","32.321","0.003","32.849","0.005","90","","128.703","0.009","90","","36870","9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H137 Mn12 N6 O51 P7 -","- C120 H137 Mn12 N6 O51 P7 -","- C960 H1096 Mn96 N48 O408 P56 -","8","1","","Yao, Hong-Chang; Li, Yi-Zhi; Song, You; Ma, Yun-Sheng; Zheng, Li-Min; Xin, Xin-Quan","Dodecanuclear manganese(III) phosphonates with cage structures.","Inorganic chemistry","2006","45","1","59","65","10.1021/ic050775e","","","0.71073","MoKα","","0.0613","0.0435","","","0.095","0.0992","","","","","","1.077","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340281","15.177","0.003","19.091","0.004","29.883","0.007","90","","97.829","0.014","90","","8578","3","120","2","110","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H42 Br3 N7 Ni2 O9 -","- C35 H42 Br3 N7 Ni2 O9 -","- C280 H336 Br24 N56 Ni16 O72 -","8","1","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; Vicente, Ramón; Corbella, Montserrat; Bermejo, Manuel R.; Sanmartín, Jesús","Self-assembly of a tetranuclear Ni4 cluster with an S = 4 ground state: the first 3d metal cluster bearing a mu4-eta2:eta2-O,O carbonate ligand.","Inorganic chemistry","2006","45","1","255","262","10.1021/ic051194s","","","0.71073","MoKα","","0.0906","0.052","","","0.1273","0.152","","","","","","1.028","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340282","14.616","0.0011","24.349","0.002","24.4841","0.0013","90","","90","","90","","8713.5","1.1","120","2","120","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C38.5 H38.75 Br4 N6.25 Ni2 O7 -","- C38.5 H38.75 Br4 N6.25 Ni2 O7 -","- C308 H310 Br32 N50 Ni16 O56 -","8","1","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; Vicente, Ramón; Corbella, Montserrat; Bermejo, Manuel R.; Sanmartín, Jesús","Self-assembly of a tetranuclear Ni4 cluster with an S = 4 ground state: the first 3d metal cluster bearing a mu4-eta2:eta2-O,O carbonate ligand.","Inorganic chemistry","2006","45","1","255","262","10.1021/ic051194s","","","1.5418","CuKα","","0.0578","0.0495","","","0.1318","0.1403","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340283","12.7152","0.0011","12.7462","0.0011","23.427","0.002","77.946","0.002","84.651","0.002","68.156","0.002","3446","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60.5 H67 Br6 N9 Ni4 O13.5 -","- C60.5 H67 Br6 N9 Ni4 O13.5 -","- C121 H134 Br12 N18 Ni8 O27 -","2","1","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; Vicente, Ramón; Corbella, Montserrat; Bermejo, Manuel R.; Sanmartín, Jesús","Self-assembly of a tetranuclear Ni4 cluster with an S = 4 ground state: the first 3d metal cluster bearing a mu4-eta2:eta2-O,O carbonate ligand.","Inorganic chemistry","2006","45","1","255","262","10.1021/ic051194s","","","0.71073","MoKα","","0.0875","0.0434","","","0.095","0.1176","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340284","16.4634","0.0009","8.8987","0.0004","14.9136","0.0008","90","","90","","90","","2184.89","0.19","102","2","102","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H28 Cl2 N4 W -","- C18 H28 Cl2 N4 W -","- C72 H112 Cl8 N16 W4 -","4","1","","Rische, Daniel; Baunemann, Arne; Winter, Manuela; Fischer, Roland A.","Mixed guanidinato/alkylimido/azido tungsten(VI) complexes: synthesis and structural characterization.","Inorganic chemistry","2006","45","1","269","277","10.1021/ic0512431","","","0.71073","MoKα","","0.0324","0.0277","","","0.0566","0.0576","","","","","","1.023","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340285","9.059","0.002","10.359","0.003","15.293","0.004","81.786","0.01","80.206","0.009","86.217","0.007","1398.4","0.6","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H46 Cl N5 W -","- C21 H46 Cl N5 W -","- C42 H92 Cl2 N10 W2 -","2","1","","Rische, Daniel; Baunemann, Arne; Winter, Manuela; Fischer, Roland A.","Mixed guanidinato/alkylimido/azido tungsten(VI) complexes: synthesis and structural characterization.","Inorganic chemistry","2006","45","1","269","277","10.1021/ic0512431","","","0.71073","MoKα","","0.0372","0.0328","","","0.088","0.0917","","","","","","0.821","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340286","11.8101","0.001","17.1297","0.0013","9.8014","0.0006","90","","109.816","0.007","90","","1865.4","0.3","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H60 Cl2 N10 W2 -","- C26 H60 Cl2 N10 W2 -","- C52 H120 Cl4 N20 W4 -","2","0.5","","Rische, Daniel; Baunemann, Arne; Winter, Manuela; Fischer, Roland A.","Mixed guanidinato/alkylimido/azido tungsten(VI) complexes: synthesis and structural characterization.","Inorganic chemistry","2006","45","1","269","277","10.1021/ic0512431","","","0.71073","MoKα","","0.0404","0.0291","","","0.0728","0.0765","","","","","","1.001","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340287","9.3581","0.0008","21.4148","0.0018","10.0342","0.0009","90","","110.507","0.008","90","","1883.4","0.3","105","2","105","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H60 N16 W2 -","- C26 H60 N16 W2 -","- C52 H120 N32 W4 -","2","0.5","","Rische, Daniel; Baunemann, Arne; Winter, Manuela; Fischer, Roland A.","Mixed guanidinato/alkylimido/azido tungsten(VI) complexes: synthesis and structural characterization.","Inorganic chemistry","2006","45","1","269","277","10.1021/ic0512431","","","0.71073","MoKα","","0.0582","0.051","","","0.0961","0.0997","","","","","","1.105","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340288","10.6021","0.0007","15.9447","0.001","16.8824","0.001","93.33","0.005","100.474","0.005","96.27","0.005","2780.7","0.3","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H46 N18 W2 -","- C26 H46 N18 W2 -","- C78 H138 N54 W6 -","3","1.5","","Rische, Daniel; Baunemann, Arne; Winter, Manuela; Fischer, Roland A.","Mixed guanidinato/alkylimido/azido tungsten(VI) complexes: synthesis and structural characterization.","Inorganic chemistry","2006","45","1","269","277","10.1021/ic0512431","","","0.71073","MoKα","","0.0977","0.0385","","","0.0489","0.0573","","","","","","0.666","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340289","15.0192","0.0012","14.9866","0.0012","15.1717","0.0012","90","","112.716","0.002","90","","3150.1","0.4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 O12 Os3 P Pt -","- C24 H27 O12 Os3 P Pt -","- C96 H108 O48 Os12 P4 Pt4 -","4","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum-osmium cluster complexes from the addition of Pt(PBut3) groups to Os3(CO)12.","Inorganic chemistry","2006","45","1","430","436","10.1021/ic0515507","","","0.71073","MoKα","","0.0605","0.0477","","","0.1171","0.1255","","","","","","1.035","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340290","8.8946","0.0005","15.0086","0.0008","17.9146","0.001","74.321","0.001","89.139","0.001","83.406","0.001","2287","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54 O12 Os3 P2 Pt2 -","- C36 H54 O12 Os3 P2 Pt2 -","- C72 H108 O24 Os6 P4 Pt4 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum-osmium cluster complexes from the addition of Pt(PBut3) groups to Os3(CO)12.","Inorganic chemistry","2006","45","1","430","436","10.1021/ic0515507","","","0.71073","MoKα","","0.0616","0.046","","","0.0981","0.1103","","","","","","1.041","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340291","15.4925","0.0007","23.1548","0.001","18.1868","0.0008","90","","103.424","0.001","90","","6345.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H81 O12 Os3 P3 Pt3 -","- C48 H81 O12 Os3 P3 Pt3 -","- C192 H324 O48 Os12 P12 Pt12 -","4","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum-osmium cluster complexes from the addition of Pt(PBut3) groups to Os3(CO)12.","Inorganic chemistry","2006","45","1","430","436","10.1021/ic0515507","","","0.71073","MoKα","","0.0641","0.044","","","0.1207","0.1296","","","","","","1.089","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340292","9.0638","0.0003","19.2055","0.0007","25.2024","0.0009","90","","90","","90","","4387.1","0.3","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H54 O10 Os3 P2 Pt2 -","- C34 H54 O10 Os3 P2 Pt2 -","- C136 H216 O40 Os12 P8 Pt8 -","4","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum-osmium cluster complexes from the addition of Pt(PBut3) groups to Os3(CO)12.","Inorganic chemistry","2006","45","1","430","436","10.1021/ic0515507","","","0.71073","MoKα","","0.0664","0.0559","","","0.1125","0.1163","","","","","","1.139","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340293","13.5331","0.0006","12.037","0.0004","22.7027","0.0008","90","","94.644","0.004","90","","3686.1","0.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H29 Cl2 N2 Rh -","- C16 H29 Cl2 N2 Rh -","- C128 H232 Cl16 N16 Rh8 -","8","1","","Vicente, José; Chicote, María-Teresa; Guerrero, Rita; Vicente-Hernández, Inmaculada; Alvarez-Falcón, Miguel M","The first acetimino complexes of Rh(III). 4-imino-2-methylpentan-2-amino-Rh(III) complexes through metal-assisted intramolecular aldol-type condensation of two acetimino ligands.","Inorganic chemistry","2006","45","1","181","188","10.1021/ic051521w","","","0.71073","MoKα","","0.0397","0.0262","","","0.0559","0.0607","","","","","","1.052","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340294","8.5542","0.0003","15.911","0.0006","15.4317","0.0006","90","","102.138","0.001","90","","2053.39","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H29 Cl2 N2 O4 Rh -","- C16 H29 Cl2 N2 O4 Rh -","- C64 H116 Cl8 N8 O16 Rh4 -","4","2","","Vicente, José; Chicote, María-Teresa; Guerrero, Rita; Vicente-Hernández, Inmaculada; Alvarez-Falcón, Miguel M","The first acetimino complexes of Rh(III). 4-imino-2-methylpentan-2-amino-Rh(III) complexes through metal-assisted intramolecular aldol-type condensation of two acetimino ligands.","Inorganic chemistry","2006","45","1","181","188","10.1021/ic051521w","","","0.71073","MoKα","","0.0193","0.0189","","","0.0471","0.0473","","","","","","1.065","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4343822","10.06024","","10.06024","","10.06024","","90","","90","","90","","1018.18","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","Cs Fe (H2 O)6 P O4","","- Cs Fe H12 O10 P -","- Cs Fe H12 O10 P -","- Cs4 Fe4 H48 O40 P4 -","4","0.0416667","","Carver, G.; Bill, E.; Dobe, C.; Jensen, T.B.; Tregenna-Piggott, P.L.W.; Barra, A.L.; McIntyre, G.J.; Janssen, S.","Spectroscopic, magnetochemical, and crystallographic study of cesium iron phosphate hexahydrate: characterization of the electronic structure of the iron(II) hexa-aqua cation in a quasicubic environment","Inorganic Chemistry","2006","45","","4695","4705","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343823","10.0242","","10.0242","","10.0242","","90","","90","","90","","1007.28","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","Cs Fe (D2 O)6 P O4","","- Cs D12 Fe O10 P -","- Cs D12 Fe O10 P -","- Cs4 D48 Fe4 O40 P4 -","4","0.0416667","","Carver, G.; Janssen, S.; Jensen, T.B.; Dobe, C.; Barra, A.L.; Tregenna-Piggott, P.L.W.; Bill, E.; McIntyre, G.J.","Spectroscopic, magnetochemical, and crystallographic study of cesium iron phosphate hexahydrate: characterization of the electronic structure of the iron(II) hexa-aqua cation in a quasicubic environment","Inorganic Chemistry","2006","45","","4695","4705","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343828","16.409","","10.64","","15.105","","90","","90","","90","","2637.21","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Rb4 P6 Se12","","- P6 Rb4 Se12 -","- P6 Rb4 Se12 -","- P24 Rb16 Se48 -","4","1","","Chung, I.; Karst, A.L.; Weliky, D.P.; Kanatzidis, M.G.","[P6 Se12]4-: A phosphorus-rich selenophosphate with low-valent P centers","Inorganic Chemistry","2006","45","","2785","2787","","","","","","","","","","","","","","","","","","","","","","has coordinates","150598","2020-10-21","18:00:00",""
"4343831","5.145","","8.373","","8.715","","90","","90","","90","","375.434","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Ba Hg0.92 In1.08 -","- Ba Hg0.92 In1.08 -","- Ba4 Hg3.68 In4.32 -","4","0.25","","Dai, J.-C.; Corbett, J.D.","Substitution of Au or Hg into Ba Tl2 and Ba In2. New ternary examples of smaller Ce Cu2-type intermetallic phases","Inorganic Chemistry","2006","45","","2104","2111","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343834","9.394","","8.543","","4.9588","","90","","90","","90","","397.958","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mo F6","","- F6 Mo -","- F6 Mo -","- F24 Mo4 -","4","0.5","","Drews, T.; Supel, J.; Hagenbach, A.; Seppelt, K.","Solid state molecular structures of transition metal hexafluorides","Inorganic Chemistry","2006","45","","3782","3788","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343835","9.4105","","8.5468","","4.9516","","90","","90","","90","","398.256","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ir F6","","- F6 Ir -","- F6 Ir -","- F24 Ir4 -","4","0.5","","Drews, T.; Supel, J.; Hagenbach, A.; Seppelt, K.","Solid state molecular structures of transition metal hexafluorides","Inorganic Chemistry","2006","45","","3782","3788","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343836","4.9118","","4.9643","","4.9706","","78.691","","89.656","","77.806","","116.087","","","","","","","","","","","","","3","P -1","-P 1","2","","Rh F6 O2","","- F6 O2 Rh -","- F6 O2 Rh -","- F6 O2 Rh -","1","0.5","","Drews, T.; Supel, J.; Seppelt, K.; Hagenbach, A.","Solid state molecular structures of transition metal hexafluorides","Inorganic Chemistry","2006","45","","3782","3788","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343837","9.387","","8.5435","","4.9444","","90","","90","","90","","396.53","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Os F6","","- F6 Os -","- F6 Os -","- F24 Os4 -","4","0.5","","Drews, T.; Hagenbach, A.; Supel, J.; Seppelt, K.","Solid state molecular structures of transition metal hexafluorides","Inorganic Chemistry","2006","45","","3782","3788","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343841","6.9209","","6.5515","","11.2741","","90","","90.06","","90","","511.193","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(N H2)2 C C (N O2)2","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","","Evers, J.; Klapoetke, T.M.; Mayer, P.; Oehlinger, G.; Welch, J.","alpha- and beta-FOX-7, polymorphs of a high energy density material, studied by x-ray single crystal and powder investigations in the temperature range from 200 to 423 K","Inorganic Chemistry","2006","45","","4996","5007","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343852","11.8658","","11.8658","","17.181","","90","","90","","90","","2419.04","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Li Mg Ca10 Sb9","","- Ca10 Li Mg Sb9 -","- Ca10 Li Mg Sb9 -","- Ca40 Li4 Mg4 Sb36 -","4","0.25","","Ganguli, A.K.; Gupta, S.; Corbett, J.D.","New tetragonal structure type for A2 Ca10 Sb9 (A= Li, Mg). Electronic variability around a Zintl phase","Inorganic Chemistry","2006","45","","196","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343853","11.8438","","11.8438","","17.2967","","90","","90","","90","","2426.3","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Mg2 Ca10 Sb9","","- Ca10 Mg2 Sb9 -","- Ca10 Mg2 Sb9 -","- Ca40 Mg8 Sb36 -","4","0.25","","Ganguli, A.K.; Gupta, S.; Corbett, J.D.","New tetragonal structure type for A2 Ca10 Sb9 (A = Li, Mg). Electronic variability around a Zintl phase","Inorganic Chemistry","2006","45","","196","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","150870","2020-10-21","18:00:00",""
"4343854","11.9053","","11.9053","","17.152","","90","","90","","90","","2431.06","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Li1.38 Ca10.62 Sb9","","- Ca10.62 Li1.38 Sb9 -","- Ca10.62 Li1.38 Sb9 -","- Ca42.48 Li5.52 Sb36 -","4","0.25","","Ganguli, A.K.; Gupta, S.; Corbett, J.D.","New tetragonal structure type for A2 Ca10 Sb9 (A = Li, Mg). Electronic variability around a Zintl phase","Inorganic Chemistry","2006","45","","196","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","150871","2020-10-21","18:00:00",""
"4343867","5.9365","","18.842","","5.949","","90","","90","","90","","665.429","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr2 F2 Sn S3","","- F2 S3 Sn Sr2 -","- F2 S3 Sn Sr2 -","- F8 S12 Sn4 Sr8 -","4","0.5","","Kabbour, H.; Meerschaut, A.; Cario, L.; Danot, M.","Design of a new family of inorganic compounds Ae2 F2 Sn X3 (Ae= Sr, Ba; X = S, Se) using rock salt and fluorite 2D building blocks.","Inorganic Chemistry","2006","45","","917","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343874","3.1439","","3.1439","","24.058","","90","","90","","120","","205.934","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Co1.176 (O H)2 Cl0.348 (H2 O)0.456","","- Cl0.348 Co1.176 H2.912 O2.456 -","- Cl0.348 Co1.176 O2.456 -","- Cl1.044 Co3.528 O7.368 -","3","0.0833333","","Ma Renzhi; Liu Zhaoping; Takada, K.; Fukuda, K.; Ebina, Y.; Bando, Y.; Sasaki, T.","Tetrahedral Co(II) coordination in alpha-type cobalt hydroxide: Rietveld refinement and x-ray absorption spectrocopy","Inorganic Chemistry","2006","45","","3964","3969","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343881","7.7422","","7.7422","","17.7979","","90","","90","","90","","1066.84","","","","","","","","","","","","","4","I 4/m","-I 4","87","","La9 Rb Ir4 O24","","- Ir4 La9 O24 Rb -","- Ir4 La9 O24 Rb -","- Ir8 La18 O48 Rb2 -","2","0.125","","Mugavero, S.J.; Smith, M.D.; zur Loye, H.C.","La9 Rb Ir4 O24: A rubidium containing oxide with a new structure type","Inorganic Chemistry","2006","45","","946","948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343888","4.89","","2.9361","","10.542","","90","","107.81","","90","","144.103","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Na0.3 Ni O2 (D2 O)1.3","","- D2.6 Na0.3 Ni O3.3 -","- D2.6 Na0.3 Ni O3.3 -","- D5.2 Na0.6 Ni2 O6.6 -","2","0.25","","Park, S.; Lee, Y.; Elcombe, M.; Vogt, T.","Synthesis and structure of the bilayer hydrate Na0.3 Ni O2 . 1.3D2 O","Inorganic Chemistry","2006","45","","3490","3492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343902","3.9292","","3.9292","","9.712","","90","","90","","120","","129.852","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","La I","","- I La -","- I La -","- I2 La2 -","2","0.0833333","","Ryazanov, M.; Kienle, L.; Mattausch, H.J.; Simon, A.","New synthesis route to and physical properties of lanthanum monoiodide","Inorganic Chemistry","2006","45","","2068","2074","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343906","9.1617","","12.2559","","6.3327","","90","","103","","90","","692.842","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (Se O4)2","","- Cu H12 K2 O14 Se2 -","- Cu H12 K2 O14 Se2 -","- Cu2 H24 K4 O28 Se4 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Riley, M.J.; Hitchman, M.A.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343907","9.0462","","12.0492","","6.1368","","90","","104.354","","90","","648.025","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)2","","- Cu H12 K2 O14 S2 -","- Cu H12 K2 O14 S2 -","- Cu2 H24 K4 O28 S4 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Riley, M.J.; Hitchman, M.A.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343908","9.1345","","12.2223","","6.3088","","90","","103","","90","","686.291","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)0.318 (Se O4)1.682","","- Cu H12 K2 O14 S0.318 Se1.682 -","- Cu H12 K2 O14 S0.318 Se1.682 -","- Cu2 H24 K4 O28 S0.636 Se3.364 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343909","9.1631","","12.2525","","6.324","","90","","103","","90","","691.804","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)0.356 (Se O4)1.644","","- Cu H12 K2 O14 S0.356 Se1.644 -","- Cu H12 K2 O14 S0.356 Se1.6438 -","- Cu2 H24 K4 O28 S0.712 Se3.2876 -","2","0.5","","Simmons, C.J.; Riley, M.J.; Stratemeier, H.; Hitchman, M.A.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343910","9.089","","12.1716","","6.2848","","90","","103","","90","","677.453","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)0.5 (Se O4)1.5","","- Cu H12 K2 O14 S0.5 Se1.5 -","- Cu H12 K2 O14 S0.512 Se1.4876 -","- Cu2 H24 K4 O28 S1.024 Se2.9752 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343911","9.1062","","12.1418","","6.1901","","90","","104","","90","","664.083","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)1.37 (Se O4)0.63","","- Cu H12 K2 O14 S1.37 Se0.63 -","- Cu H12 K2 O14 S1.3704 Se0.63 -","- Cu2 H24 K4 O28 S2.7408 Se1.26 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343912","9.1109","","12.155","","6.2025","","90","","104","","90","","666.48","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)1.359 (Se O4)0.64","","- Cu H12 K2 O13.996 S1.359 Se0.64 -","- Cu H12 K2 O14 S1.3592 Se0.64 -","- Cu2 H24 K4 O28 S2.7184 Se1.28 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343913","9.1072","","12.168","","6.2186","","90","","104","","90","","668.653","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)1.366 (Se O4)0.634","","- Cu H12 K2 O14 S1.366 Se0.634 -","- Cu H12 K2 O14 S1.3664 Se0.634 -","- Cu2 H24 K4 O28 S2.7328 Se1.268 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343914","9.0911","","12.114","","6.1717","","90","","104","","90","","659.497","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)1.571 (Se O4)0.428","","- Cu H12 K2 O13.996 S1.571 Se0.428 -","- Cu H12 K2 O14 S1.5714 Se0.428 -","- Cu2 H24 K4 O28 S3.1428 Se0.856 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343915","9.1135","","12.1688","","6.2069","","90","","104.279","","90","","667.082","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)1.557 (Se O4)0.444","","- Cu H12 K2 O14.004 S1.557 Se0.444 -","- Cu H12 K2 O14 S1.5568 Se0.444 -","- Cu2 H24 K4 O28 S3.1136 Se0.888 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343916","9.0743","","12.0836","","6.1619","","90","","104","","90","","655.584","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","K2 (Cu (H2 O)6) (S O4)1.554 (Se O4)0.446","","- Cu H12 K2 O14 S1.554 Se0.446 -","- Cu H12 K2 O14 S1.5544 Se0.446 -","- Cu2 H24 K4 O28 S3.1088 Se0.892 -","2","0.5","","Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J.","Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio","Inorganic Chemistry","2006","45","","1021","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343917","12.8279","","12.8279","","7.2631","","90","","90","","120","","1035.06","","","","","","","","","","","","","5","P -3","-P 3","147","","Ba2.5 (V O2)3 (Se O3)4 (H2 O)","","- Ba2.5 H2 O19 Se4 V3 -","- Ba2.5131 O19 Se4 V3 -","- Ba5.0262 O38 Se8 V6 -","2","0.333333","","Sivakumar, T.; Ok, K.M.; Halasyamani, P.S.","Synthesis, structure, and characterization of novel two- and three-dimensional vanadates: Ba2.5 (V O2)3 (Se O3)4 . H2 O and La (V O2)2 (Te O6) . 3H2 O","Inorganic Chemistry","2006","45","","3602","3605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343918","9.4577","","9.4577","","23.455","","90","","90","","120","","1816.93","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","La (V O2)3 (Te O6) (H2 O)3","","- H6 La O15 Te V3 -","- La O15 Te V3 -","- La6 O90 Te6 V18 -","6","0.333333","","Sivakumar, T.; Ok, K.M.; Halasyamani, P.S.","Synthesis, structure, and characterization of novel two- and three-dimensional vanadates: Ba2.5 (V O2)3 (Se O3)4 . H2 O and La (V O2)2 (Te O6) . 3H2 O","Inorganic Chemistry","2006","45","","3602","3605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343920","24.652","","24.6296","","24.651","","90","","90","","90","","14967.3","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Hf (P2 O7)","","- Hf O7 P2 -","- Hf O7 P2 -","- Hf108 O756 P216 -","108","13.5","","Stinton, G.W.; Hampson, M.R.; Evans, J.S.O.","The 136-atom structure of Zr P2 O7 and Hf P2 O7 from powder diffraction data","Inorganic Chemistry","2006","45","","4352","4358","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343921","7.677","","9.946","","9.233","","90","","109.73","","90","","663.603","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","H N (S O2 Cl)2","","- Cl2 H N O4 S2 -","- Cl2 H N O4 S2 -","- Cl8 H4 N4 O16 S8 -","4","1","","Taraba, J.; Zak, Z.","Novel cation [N (S O2 N Me3)2]+ and its synthesis and crystal structure. Dichloride of imido-bis(sulfuric) acid H N (S O2 Cl)2. Part 1. Crystal structures of K N (S O2 Cl)2.(1/2) C H3 C N, K N (S O2 Cl)2.(1/6)C H2 Cl2, and [P Cl4] [N (S O2 Cl)2]","Inorganic Chemistry","2006","45","","3695","3700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343922","7.093","","24.536","","13.656","","90","","96.84","","90","","2359.69","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","K N (S O2 Cl)2 (C H2 Cl2)0.1667","","- C0.1667 H0.3334 Cl2.3334 K N O4 S2 -","- C0.166667 H0.333333 Cl2.33333 K N O4 S2 -","- C2 H4 Cl28 K12 N12 O48 S24 -","12","3","","Taraba, J.; Zak, Z.","Novel cation [N (S O2 N Me3)2]+ and its synthesis and crystal structure. Dichloride of imido-bis(sulfuric) acid H N (S O2 Cl)2. Part 1. Crystal structures of K N (S O2 Cl)2.(1/2) C H3 C N, K N (S O2 Cl)2.(1/6)C H2 Cl2, and [P Cl4] [N (S O2 Cl)2]","Inorganic Chemistry","2006","45","","3695","3700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343923","10.364","","10.679","","10.103","","90","","90","","90","","1118.17","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","P Cl4 (N (S O2 Cl)2)","","- Cl6 N O4 P S2 -","- Cl6 N O4 P S2 -","- Cl24 N4 O16 P4 S8 -","4","0.5","","Taraba, J.; Zak, Z.","Novel cation [N (S O2 N Me3)2]+ and its synthesis and crystal structure. Dichloride of imido-bis(sulfuric) acid H N (S O2 Cl)2. Part 1. Crystal structures of K N (S O2 Cl)2.(1/2) C H3 C N, K N (S O2 Cl)2.(1/6)C H2 Cl2, and [P Cl4] [N (S O2 Cl)2]","Inorganic Chemistry","2006","45","","3695","3700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343924","6.622","","12.33","","13.01","","117.99","","98.04","","94.14","","917.171","","","","","","","","","","","","","6","P -1","-P 1","2","","(N (S O2 N (C H3)3)2) (N (S O2 Cl)2)","","- C6 H18 Cl2 N4 O8 S4 -","- C6 H18 Cl2 N4 O8 S4 -","- C12 H36 Cl4 N8 O16 S8 -","2","1","","Taraba, J.; Zak, Z.","Novel cation [N (S O2 N Me3)2]+ and its synthesis and crystal structure. Dichloride of imido-bis(sulfuric) acid H N (S O2 Cl)2. Part 1. Crystal structures of K N (S O2 Cl)2.(1/2) C H3 C N, K N (S O2 Cl)2.(1/6)C H2 Cl2, and [P Cl4] [N (S O2 Cl)2]","Inorganic Chemistry","2006","45","","3695","3700","","","","","","","","","","","","","","","","","","","","","","has coordinates","151743","2020-10-21","18:00:00",""
"4343925","7.363","","9.603","","27.531","","87.26","","89.96","","89.62","","1944.36","","","","","","","","","","","","","5","P -1","-P 1","2","","(N (S O2 N (C H3)3)2) (N (S O3 C H3)2)","","- C8 H24 N4 O10 S4 -","- C8 H24 N4 O10 S4 -","- C32 H96 N16 O40 S16 -","4","2","","Taraba, J.; Zak, Z.","Novel cation [N (S O2 N Me3)2]+ and its synthesis and crystal structure. Dichloride of imido-bis(sulfuric) acid H N (S O2 Cl)2. Part 1. Crystal structures of K N (S O2 Cl)2.(1/2) C H3 C N, K N (S O2 Cl)2.(1/6)C H2 Cl2, and [P Cl4] [N (S O2 Cl)2]","Inorganic Chemistry","2006","45","","3695","3700","","","","","","","","","","","","","","","","","","","","","","has coordinates","151744","2020-10-21","18:00:00",""
"4343926","5.812","","22.078","","11.944","","90","","93.83","","90","","1529.2","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N (S O2 N (C H3)3)2) (S O4 C H3)","","- C7 H21 N3 O8 S3 -","- C7 H21 N3 O8 S3 -","- C28 H84 N12 O32 S12 -","4","1","","Taraba, J.; Zak, Z.","Novel cation [N (S O2 N Me3)2]+ and its synthesis and crystal structure. Dichloride of imido-bis(sulfuric) acid H N (S O2 Cl)2. Part 1. Crystal structures of K N (S O2 Cl)2.(1/2) C H3 C N, K N (S O2 Cl)2.(1/6)C H2 Cl2, and [P Cl4] [N (S O2 Cl)2]","Inorganic Chemistry","2006","45","","3695","3700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343927","23.087","","20.75","","5.603","","90","","90","","90","","2684.15","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","(N (S O2 N (C H3)3)2) Cl (H2 O)","","- C6 H20 Cl N3 O5 S2 -","- C6 H20 Cl N3 O5 S2 -","- C48 H160 Cl8 N24 O40 S16 -","8","2","","Taraba, J.; Zak, Z.","Novel cation [N (S O2 N Me3)2]+ and its synthesis and crystal structure. Dichloride of imido-bis(sulfuric) acid H N (S O2 Cl)2. Part 1. Crystal structures of K N (S O2 Cl)2.(1/2) C H3 C N, K N (S O2 Cl)2.(1/6)C H2 Cl2, and [P Cl4] [N (S O2 Cl)2]","Inorganic Chemistry","2006","45","","3695","3700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343928","5.729","","10.567","","11.677","","105.52","","101.8","","99.25","","649.106","","","","","","","","","","","","","5","P -1","-P 1","2","","(N (S O2 N (C H3)3)2) (N O3)","","- C6 H18 N4 O7 S2 -","- C6 H18 N4 O7 S2 -","- C12 H36 N8 O14 S4 -","2","1","","Taraba, J.; Zak, Z.","Novel cation [N (S O2 N Me3)2]+ and its synthesis and crystal structure. Dichloride of imido-bis(sulfuric) acid H N (S O2 Cl)2. Part 1. Crystal structures of K N (S O2 Cl)2.(1/2) C H3 C N, K N (S O2 Cl)2.(1/6)C H2 Cl2, and [P Cl4] [N (S O2 Cl)2]","Inorganic Chemistry","2006","45","","3695","3700","","","","","","","","","","","","","","","","","","","","","","has coordinates","151747","2020-10-21","18:00:00",""
"4343929","6.6093","","10.375","","11.77","","80.23","","82.6","","87.49","","788.558","","","","","","","","","","","","","5","P -1","-P 1","2","","(N (S O2 N (C H3)3)2) (H (N O3)2)","","- C6 H19 N5 O10 S2 -","- C6 H19 N5 O10 S2 -","- C12 H38 N10 O20 S4 -","2","1","","Taraba, J.; Zak, Z.","Novel cation [N (S O2 N Me3)2]+ and its synthesis and crystal structure. Dichloride of imido-bis(sulfuric) acid H N (S O2 Cl)2. Part 1. Crystal structures of K N (S O2 Cl)2.(1/2) C H3 C N, K N (S O2 Cl)2.(1/6)C H2 Cl2, and [P Cl4] [N (S O2 Cl)2]","Inorganic Chemistry","2006","45","","3695","3700","","","","","","","","","","","","","","","","","","","","","","has coordinates","151748","2020-10-21","18:00:00",""
"4343930","12.087","","13.829","","21.852","","86.73","","85.38","","79.7","","3578.66","","","","","","","","","","","","","7","P -1","-P 1","2","","(N (S O2 N (C H3)3)2) (Fe Cl4)","","- C6 H18 Cl4 Fe N3 O4 S2 -","- C6 H18 Cl4 Fe N3 O4 S2 -","- C48 H144 Cl32 Fe8 N24 O32 S16 -","8","4","","Taraba, J.; Zak, Z.","Novel cation [N (S O2 N Me3)2]+ and its synthesis and crystal structure. Dichloride of imido-bis(sulfuric) acid H N (S O2 Cl)2. Part 1. Crystal structures of K N (S O2 Cl)2.(1/2) C H3 C N, K N (S O2 Cl)2.(1/6)C H2 Cl2, and [P Cl4] [N (S O2 Cl)2]","Inorganic Chemistry","2006","45","","3695","3700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343931","10.0486","","10.0486","","7.1375","","90","","90","","120","","624.148","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Na4 Ca Sn6","","- Ca Na4 Sn6 -","- Ca Na4 Sn6 -","- Ca2 Na8 Sn12 -","2","0.0833333","","Todorov, I.; Sevov, S.C.","In search of benzene-like Sn6(6-): synthesis of Na4 Ca Sn6 with interconnected cyclohexane-like Sn6(6-)","Inorganic Chemistry","2006","45","","4478","4483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343932","11.2189","","11.2189","","11.2189","","90","","90","","90","","1412.05","","","","","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","Na10 Eu Sn12","","- Eu Na10 Sn12 -","- Eu Na10 Sn12 -","- Eu2 Na20 Sn24 -","2","0.0416667","","Todorov, I.; Sevov, S.C.","In search of benzene-like Sn6(6-): synthesis of Na4 Ca Sn6 with interconnected cyclohexane-like Sn6(6-)","Inorganic Chemistry","2006","45","","4478","4483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343933","11.1768","","11.1768","","11.1768","","90","","90","","90","","1396.21","","","","","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","Na10 Yb Sn12","","- Na10 Sn12 Yb -","- Na10 Sn12 Yb -","- Na20 Sn24 Yb2 -","2","0.0416667","","Todorov, I.; Sevov, S.C.","In search of benzene-like Sn6(6-): synthesis of Na4 Ca Sn6 with interconnected cyclohexane-like Sn6(6-)","Inorganic Chemistry","2006","45","","4478","4483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343935","12.642","","19.337","","24.341","","90","","89.644","","90","","5950.25","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Cs5 (Cr3 O (O O C H)6 (H2 O)3) (Co W12 O40) (H2 O)7.5","","- C6 H27 Co Cr3 Cs5 O63.5 W12 -","- C6 Co Cr3 Cs5 O63.5 W12 -","- C24 Co4 Cr12 Cs20 O254 W48 -","4","1","","Uchida, S.; Kawamoto, R.; Mizuno, N.","Recognition of small polar molecules with an ionic crystal of alpha-Keggin-type polyoxometalate with a macrocation","Inorganic Chemistry","2006","45","","5136","5144","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343936","12.3267","","18.641","","24.487","","90","","92.332","","90","","5622.01","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Cs5 (Cr3 O (O O C H)6 (H2 O)3) (Co W12 O40) (H2 O)2","","- C6 H16 Co Cr3 Cs5 O58 W12 -","- C6 Co Cr3 Cs5 O58 W12 -","- C24 Co4 Cr12 Cs20 O232 W48 -","4","1","","Uchida, S.; Kawamoto, R.; Mizuno, N.","Recognition of small polar molecules with an ionic crystal of alpha-Keggin-type polyoxometalate with a macrocation","Inorganic Chemistry","2006","45","","5136","5144","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343942","8.3797","","6.9293","","9.8138","","90","","93.78","","90","","568.603","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ca Al H5","","- Al Ca H5 -","- Al Ca H5 -","- Al8 Ca8 H40 -","8","2","","Weidenthaler, C.; Frankcombe, T.J.; Felderhoff, M.","First crystal structure studies of Ca Al H5","Inorganic Chemistry","2006","45","","3849","3851","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343944","4.7938","","9.5339","","7.9101","","90","","90","","90","","361.52","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Cs O O C H","","- C H Cs O2 -","- C H Cs O2 -","- C4 H4 Cs4 O8 -","4","0.5","","Wilson, M.P.; Alcock, N.W.; Rodger, P.M.","Structure of anhydrous alkali-metal formates","Inorganic Chemistry","2006","45","","4359","4363","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343945","4.6172","","9.1822","","7.3525","","90","","90","","90","","311.717","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Rb (H C O O)","","- C H O2 Rb -","- C H O2 Rb -","- C4 H4 O8 Rb4 -","4","0.5","","Wilson, M.P.; Alcock, N.W.; Rodger, P.M.","Structure of anhydrous alkali-metal formates","Inorganic Chemistry","2006","45","","4359","4363","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4345994","16.91","0.001","26.502","0.003","21.427","0.002","90","","91.11","0.01","90","","9600.7","1.5","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H60 Au8 Mo4 O20 P4 -","- C92 H37 Au8 Mo4 O20 P4 -","- C368 H148 Au32 Mo16 O80 P16 -","4","1","","Roberto Della Pergola; Luigi Garlaschelli; Maria Carlotta Malatesta; Carlo Manassero; Mario Manassero","A Traditional Synthetic Method, and a New Structural Motif, for Molybdenum-Gold Clusters: Synthesis and Solid-State Structure of Au8{Mo(CO)5}4(PPh3)4","Inorganic Chemistry","2006","45","","8465","8467","10.1021/ic060524l","","","0.7107","Mo-Kα","","0.055","0.055","","","0.074","","","","0.982","0.982","0.982","","","","","has coordinates","231084","2020-10-21","18:00:00",""
"4345995","11.6836","0.001","16.1","0.0014","19.6157","0.0017","90","","93.162","0.002","90","","3684.2","0.6","141","2","141","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 N3 S4 U -","- C39 H35 N3 S4 U -","- C156 H140 N12 S16 U4 -","4","1","","Andrew J. Gaunt; Brian L. Scott; Mary P. Neu","U(IV) Chalcogenolates Synthesized via Oxidation of Uranium Metal by Dichalcogenides","Inorganic Chemistry","2006","45","","7401","7407","10.1021/ic060560k","","","0.71073","MoKα","","0.0755","0.0453","","","0.1024","0.1148","","","","","","1.047","","","","has coordinates","231085","2020-10-21","18:00:00",""
"4345996","20.0352","0.0019","20.0352","0.0019","13.988","0.003","90","","90","","90","","5614.9","1.4","203","1","141","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C56 H52 N4 S8 U2 -","- C56 H52 N4 S8 U2 -","- C224 H208 N16 S32 U8 -","4","0.25","","Andrew J. Gaunt; Brian L. Scott; Mary P. Neu","U(IV) Chalcogenolates Synthesized via Oxidation of Uranium Metal by Dichalcogenides","Inorganic Chemistry","2006","45","","7401","7407","10.1021/ic060560k","","","0.71073","MoKα","","0.0548","0.0394","","","0.1365","0.1502","","","","","","1.803","","","","has coordinates","231085","2020-10-21","18:00:00",""
"4345997","20.203","0.003","20.203","0.003","13.99","0.004","90","","90","","90","","5710","2","141","2","141","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C56 H52 N4 Se8 U2 -","- C56 H52 N4 Se8 U2 -","- C224 H208 N16 Se32 U8 -","4","0.25","","Andrew J. Gaunt; Brian L. Scott; Mary P. Neu","U(IV) Chalcogenolates Synthesized via Oxidation of Uranium Metal by Dichalcogenides","Inorganic Chemistry","2006","45","","7401","7407","10.1021/ic060560k","","","0.71073","MoKα","","0.0958","0.0415","","","0.0821","0.0989","","","","","","0.956","","","","has coordinates","231085","2020-10-21","18:00:00",""
"4345998","9.4765","0.0007","15.3112","0.0012","18.378","0.0014","90","","90","","90","","2666.6","0.4","141","2","141","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N4 O S4 U -","- C24 H24 N4 O S4 U -","- C96 H96 N16 O4 S16 U4 -","4","1","","Andrew J. Gaunt; Brian L. Scott; Mary P. Neu","U(IV) Chalcogenolates Synthesized via Oxidation of Uranium Metal by Dichalcogenides","Inorganic Chemistry","2006","45","","7401","7407","10.1021/ic060560k","","","0.71073","MoKα","","0.0141","0.0136","","","0.0348","0.0349","","","","","","0.845","","","","has coordinates","231085","2020-10-21","18:00:00",""
"4345999","29.362","0.002","12.53","0.0009","31.388","0.002","90","","111.55","0.001","90","","10740.6","1.3","141","2","141","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H100 N12 Se12 U4 -","- C108 H100 N12 Se12 U4 -","- C432 H400 N48 Se48 U16 -","4","0.5","","Andrew J. Gaunt; Brian L. Scott; Mary P. Neu","U(IV) Chalcogenolates Synthesized via Oxidation of Uranium Metal by Dichalcogenides","Inorganic Chemistry","2006","45","","7401","7407","10.1021/ic060560k","","","0.71073","MoKα","","0.0557","0.0325","","","0.0597","0.064","","","","","","0.958","","","","has coordinates","231085","2020-10-21","18:00:00",""
"4346000","9.0164","0.001","19.309","0.002","12.373","0.0014","90","","90.238","0.002","90","","2154.1","0.4","293","2","293","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C12 H29 B2 F8 N5 O Ru S -","- C12 H25 B2 F8 N5 O Ru S -","- C48 H100 B8 F32 N20 O4 Ru4 S4 -","4","2","","Louise A. Berben; Mary C. Faia; Nathan R. M. Crawford; Jeffrey R. Long","Angle-Dependent Electronic Effects in 4,4'-Bipyridine-Bridged Ru3 Triangle and Ru4 Square Complexes","Inorganic Chemistry","2006","45","","6378","6386","10.1021/ic060570l","","","0.71073","MoKα","","0.0767","0.0675","","0.1907","0.1754","","","","1.08","1.091","1.091","","","","","has coordinates","231119","2020-10-21","18:00:00",""
"4346001","39.586","0.008","9.3248","0.0019","24.118","0.005","90","","121.958","0.013","90","","7553","3","293","2","193","2","","","","","","","","7","C -1","-C 1","2","","","","- C87 H134 F30 N24 O35 Ru4 S10 -","- C72 N24 O79.5 Ru4 -","- C144 N48 O159 Ru8 -","2","","","Louise A. Berben; Mary C. Faia; Nathan R. M. Crawford; Jeffrey R. Long","Angle-Dependent Electronic Effects in 4,4'-Bipyridine-Bridged Ru3 Triangle and Ru4 Square Complexes","Inorganic Chemistry","2006","45","","6378","6386","10.1021/ic060570l","","","0.775","synchrotron","","0.1386","0.1003","","","0.2321","0.255","","","","","","1.671","","","","has coordinates","231120","2020-10-21","18:00:00",""
"4346002","19.016","0.0013","19.016","0.0013","8.9761","0.0009","90","","90","","120","","2811","0.4","293","2","293","2","","","","","","","","6","P -6 2 m","P -6 -2","189","","","","- C58 H154 Cl6 N18 O32 Ru3 -","- C57.96 H84 Cl6 N18 O34.69 Ru3 -","- C57.96 H84 Cl6 N18 O34.69 Ru3 -","1","0.0833333","","Louise A. Berben; Mary C. Faia; Nathan R. M. Crawford; Jeffrey R. Long","Angle-Dependent Electronic Effects in 4,4'-Bipyridine-Bridged Ru3 Triangle and Ru4 Square Complexes","Inorganic Chemistry","2006","45","","6378","6386","10.1021/ic060570l","","","0.71073","MoKα","","0.0531","0.0437","","0.112","0.1083","","","","1.074","1.118","1.118","","","","","has coordinates","231121","2020-10-21","18:00:00",""
"4346003","10.951","0.001","13.196","0.002","19.194","0.002","87.99","0.01","73.9","0.01","81.92","0.01","2638.4","0.6","301","1","","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H48 N6 O14 P Ru2 Tb -","- C48 H48 N6 O14 P Ru2 Tb -","- C96 H96 N12 O28 P2 Ru4 Tb2 -","2","1","","Wai-Fun Yeung; Tai-Chu Lau; Xin-Yi Wang; Song Gao; Lap Szeto; Wing-Tak Wong","2D LnIIIRuIII2 Compounds Constructed from trans-[Ru(acac)2(CN)2]-. Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2006","45","","6756","6760","10.1021/ic060580m","","","0.7107","MoKα","","","0.045","","","","0.053","","","","","","1.034","","","","has coordinates","231122","2020-10-21","18:00:00",""
"4346004","10.933","0.002","13.196","0.003","19.173","0.004","88.03","0.01","73.95","0.01","81.99","0.01","2632.3","1","301","1","","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H48 Dy N6 O14 P Ru2 -","- C48 H48 Dy N6 O14 P Ru2 -","- C96 H96 Dy2 N12 O28 P2 Ru4 -","2","1","","Wai-Fun Yeung; Tai-Chu Lau; Xin-Yi Wang; Song Gao; Lap Szeto; Wing-Tak Wong","2D LnIIIRuIII2 Compounds Constructed from trans-[Ru(acac)2(CN)2]-. Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2006","45","","6756","6760","10.1021/ic060580m","","","0.7107","MoKα","","","0.04","","","","0.05","","","","","","1.035","","","","has coordinates","231122","2020-10-21","18:00:00",""
"4346005","10.918","0.001","13.208","0.002","19.155","0.002","88.1","0.01","73.98","0.01","82.08","0.01","2629.6","0.6","301","1","","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H48 Er N6 O14 P Ru2 -","- C48 H48 Er N6 O14 P Ru2 -","- C96 H96 Er2 N12 O28 P2 Ru4 -","2","1","","Wai-Fun Yeung; Tai-Chu Lau; Xin-Yi Wang; Song Gao; Lap Szeto; Wing-Tak Wong","2D LnIIIRuIII2 Compounds Constructed from trans-[Ru(acac)2(CN)2]-. Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2006","45","","6756","6760","10.1021/ic060580m","","","0.7107","MoKα","","","0.041","","","","0.04","","","","","","1.009","","","","has coordinates","231122","2020-10-21","18:00:00",""
"4346006","11.4494","0.0018","11.7552","0.0018","12.1842","0.0019","77.928","0.005","76.406","0.005","83.02","0.006","1554.2","0.4","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 Cl3 N4 O2 Pd2 -","- C31 H33 Cl3 N4 O2 Pd2 -","- C62 H66 Cl6 N8 O4 Pd4 -","2","1","","Masako Takani; Takeshi Takeda; Tatsuo Yajima; Osamu Yamauchi","Indole Rings in Palladium(II) Complexes. Dual Mode of Metal Binding and Aromatic Ring Stacking Causing syn-anti Isomerism","Inorganic Chemistry","2006","45","","5938","5946","10.1021/ic060595k","","","0.7107","MoKα","","","0.0415","","","","0.064","","","","","","0.936","","","","has coordinates","231123","2020-10-21","18:00:00",""
"4346007","8.5016","0.0016","11.609","0.002","15.377","0.003","69.25","0.009","74.329","0.009","70.879","0.009","1320.4","0.4","103.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N4 O2 Pd2 -","- C30 H32 N4 O2 Pd2 -","- C60 H64 N8 O4 Pd4 -","2","1","","Masako Takani; Takeshi Takeda; Tatsuo Yajima; Osamu Yamauchi","Indole Rings in Palladium(II) Complexes. Dual Mode of Metal Binding and Aromatic Ring Stacking Causing syn-anti Isomerism","Inorganic Chemistry","2006","45","","5938","5946","10.1021/ic060595k","","","0.7107","MoKα","","","0.039","","","","0.078","","","","","","1.044","","","","has coordinates","231123","2020-10-21","18:00:00",""
"4346008","10.3113","0.0008","15.0313","0.0012","24.154","0.002","86.84","0.002","86.569","0.001","89.542","0.002","3731.2","0.5","213","2","213","2","","","","","","","","6","P -1","-P 1","2","[MO2(C15H15N2O2)2]2(OCH3)4, 3CH2Cl2","","","- C67 H78 Cl6 Mo4 N8 O12 -","- C67 H78 Cl6 Mo4 N8 O12 -","- C134 H156 Cl12 Mo8 N16 O24 -","2","1","","F. Albert Cotton; Zhong Li; Chun Y. Liu; Carlos A. Murillo; Qinliang Zhao","Transition from a Nonbonding to a Bonding Interaction in a Tetranuclear [Mo2]2(mu-OR)4 Cluster","Inorganic Chemistry","2006","45","","6387","6395","10.1021/ic060604p","","","0.71073","MoKα","","0.0594","0.0494","","","0.1329","0.143","","","","","","1.062","","","","has coordinates,has disorder","231124","2020-10-21","18:00:00",""
"4346009","10.067","0.002","12.042","0.003","15.385","0.003","89.052","0.004","78.797","0.004","82.177","0.004","1812.4","0.7","213","2","213","2","","","","","","","","8","P -1","-P 1","2","[Mo2(C15H15N2O2)2]2(OCH3)4PF6, 2CH2Cl2","","","- C66 H76 Cl4 F6 Mo4 N8 O12 P -","- C66 H76 Cl4 F6 Mo4 N8 O12 P -","- C66 H76 Cl4 F6 Mo4 N8 O12 P -","1","0.5","","F. Albert Cotton; Zhong Li; Chun Y. Liu; Carlos A. Murillo; Qinliang Zhao","Transition from a Nonbonding to a Bonding Interaction in a Tetranuclear [Mo2]2(mu-OR)4 Cluster","Inorganic Chemistry","2006","45","","6387","6395","10.1021/ic060604p","","","0.71073","MoKα","","0.0395","0.0304","","","0.077","0.0834","","","","","","1.05","","","","has coordinates,has disorder","231124","2020-10-21","18:00:00",""
"4346010","9.9623","0.0019","18.083","0.003","21.83","0.004","99.415","0.003","92.164","0.003","103.81","0.004","3755.4","1.2","213","2","213","2","","","","","","","","8","P -1","-P 1","2","[Mo2(DAnif)2]2(OCH3)4(CH2Cl2)2","","","- C66 H76 B2 Cl4 F8 Mo4 N8 O12 -","- C66 H76 B2 Cl4 F8 Mo4 N8 O12 -","- C132 H152 B4 Cl8 F16 Mo8 N16 O24 -","2","1","","F. Albert Cotton; Zhong Li; Chun Y. Liu; Carlos A. Murillo; Qinliang Zhao","Transition from a Nonbonding to a Bonding Interaction in a Tetranuclear [Mo2]2(mu-OR)4 Cluster","Inorganic Chemistry","2006","45","","6387","6395","10.1021/ic060604p","","","0.71073","MoKα","","0.0899","0.0604","","","0.1466","0.1645","","","","","","1.066","","","","has coordinates,has disorder","231124","2020-10-21","18:00:00",""
"4346011","10.4659","0.0012","14.7445","0.0017","14.9192","0.0017","104.812","0.002","106.064","0.002","108.693","0.002","1939.9","0.4","213","2","213","2","","","","","","","","6","P -1","-P 1","2","[Mo2(C15H15N2O2)2]2(OCH2CH3)4, 2CH2Cl2)","","","- C70 H84 Cl4 Mo4 N8 O12 -","- C70 H84 Cl4 Mo4 N8 O12 -","- C70 H84 Cl4 Mo4 N8 O12 -","1","0.5","","F. Albert Cotton; Zhong Li; Chun Y. Liu; Carlos A. Murillo; Qinliang Zhao","Transition from a Nonbonding to a Bonding Interaction in a Tetranuclear [Mo2]2(mu-OR)4 Cluster","Inorganic Chemistry","2006","45","","6387","6395","10.1021/ic060604p","","","0.71073","MoKα","","0.0426","0.0361","","","0.1052","0.112","","","","","","1.053","","","","has coordinates,has disorder","231124","2020-10-21","18:00:00",""
"4346012","8.854","0.004","13.474","0.005","9.815","0.004","90","","98.523","0.008","90","","1158","0.8","130.15","","130.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H28 N2 O12 P4 Zn2 -","- C11 H27 N2 O12 P4 Zn2 -","- C22 H54 N4 O24 P8 Zn4 -","2","0.5","","Ruibiao Fu; Xihe Huang; Shengmin Hu; Shengchang Xiang; Xintao Wu","Rational Design of New Bright Luminescent Zinc Diphosphonates with 12-Member Ring Channels","Inorganic Chemistry","2006","45","","5254","5256","10.1021/ic060608u","","","0.71073","MoKα","","0.0274","0.0244","","","0.058","0.0594","","","","","","1.121","","","","has coordinates","231125","2020-10-21","18:00:00",""
"4346013","10.8658","0.0017","16.605","0.002","10.3926","0.0016","90","","103.965","0.002","90","","1819.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H40 N2 O18 P6 Zn4 -","- C17 H39 N2 O18 P6 Zn4 -","- C34 H78 N4 O36 P12 Zn8 -","2","0.5","","Ruibiao Fu; Xihe Huang; Shengmin Hu; Shengchang Xiang; Xintao Wu","Rational Design of New Bright Luminescent Zinc Diphosphonates with 12-Member Ring Channels","Inorganic Chemistry","2006","45","","5254","5256","10.1021/ic060608u","","","0.71073","MoKα","","0.1083","0.0805","","","0.1577","0.1752","","","","","","1.18","","","","has coordinates","231125","2020-10-21","18:00:00",""
"4346014","8.5989","0.0017","17.044","0.002","10.165","0.002","90","","108.434","0.009","90","","1413.3","0.4","130.15","","130.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H28 N2 O18 P6 Zn4 -","- C11 H27 N2 O18 P6 Zn4 -","- C22 H54 N4 O36 P12 Zn8 -","2","0.5","","Ruibiao Fu; Xihe Huang; Shengmin Hu; Shengchang Xiang; Xintao Wu","Rational Design of New Bright Luminescent Zinc Diphosphonates with 12-Member Ring Channels","Inorganic Chemistry","2006","45","","5254","5256","10.1021/ic060608u","","","0.71073","MoKα","","0.0634","0.0507","","","0.1035","0.1143","","","","","","1.188","","","","has coordinates","231125","2020-10-21","18:00:00",""
"4350112","12.859","0.004","10.915","0.004","16.933","0.006","90","","93.78","0.006","90","","2371.5","1.4","173.2","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H31 B N6 O -","- C24 H31 B N6 O -","- C96 H124 B4 N24 O4 -","4","2","","Stork, Jay R.; Brewer, Jeffrey J.; Fukuda, Takamitsu; Fitzgerald, Jeffrey P.; Yee, Gordon T.; Nazarenko, Alexander Y.; Kobayashi, Nagao; Durfee, William S.","Chloro and hydroxo forms of a boron(III) subtriazaporphyrin macrocycle.","Inorganic chemistry","2006","45","16","6148","6151","10.1021/ic051093u","","","0.7107","MoKα","","","0.046","","","","0.0498","","","","","","1.139","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4350113","29.757","0.006","11.358","0.002","19.493","0.004","90","","97.948","0.003","90","","6525","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","L2","(Bis-(1-methyl-4-pivalamidoimidazol-2-yl)methyl) ((1-methylimidazol-2-yl)methyl)amine","","- C25 H41 N9 O3 -","- C25 H41 N9 O3 -","- C200 H328 N72 O24 -","8","1","","Cheruzel, Lionel E.; Cecil, Matthew R.; Edison, Sara E.; Mashuta, Mark S.; Baldwin, Michael J.; Buchanan, Robert M.","Structural and spectroscopic characterization of copper(II) complexes of a new bisamide functionalized imidazole tripod and evidence for the formation of a mononuclear end-on Cu-OOH species.","Inorganic chemistry","2006","45","8","3191","3202","10.1021/ic051280s","","","0.71073","MoKα","","0.0862","0.0677","","","0.1261","0.1324","","","","","","1.025","","","","has coordinates","239746","2020-10-21","18:00:00",""
"4350114","18.908","0.009","20.14","0.009","11.196","0.005","90","","94.606","0.008","90","","4250","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu(L2)Cl]ClO4","","","- C25 H39 Cl2 Cu N9 O6 -","- C25 H21 Cl2 Cu N9 O6 -","- C100 H84 Cl8 Cu4 N36 O24 -","4","1","","Cheruzel, Lionel E.; Cecil, Matthew R.; Edison, Sara E.; Mashuta, Mark S.; Baldwin, Michael J.; Buchanan, Robert M.","Structural and spectroscopic characterization of copper(II) complexes of a new bisamide functionalized imidazole tripod and evidence for the formation of a mononuclear end-on Cu-OOH species.","Inorganic chemistry","2006","45","8","3191","3202","10.1021/ic051280s","","","0.71073","MoKα","","0.1549","0.0739","","","0.1384","0.1504","","","","","","1.065","","","","has coordinates","239746","2020-10-21","18:00:00",""
"4350115","21.653","0.01","10.26","0.005","31.194","0.015","90","","93.766","0.008","90","","6915","6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu(L2)OH]ClO4","","","- C25 H40 Cl Cu N9 O7 -","- C25 H40 Cl Cu N9 O7 -","- C200 H320 Cl8 Cu8 N72 O56 -","8","2","","Cheruzel, Lionel E.; Cecil, Matthew R.; Edison, Sara E.; Mashuta, Mark S.; Baldwin, Michael J.; Buchanan, Robert M.","Structural and spectroscopic characterization of copper(II) complexes of a new bisamide functionalized imidazole tripod and evidence for the formation of a mononuclear end-on Cu-OOH species.","Inorganic chemistry","2006","45","8","3191","3202","10.1021/ic051280s","","","0.71073","MoKα","","0.1944","0.0858","","","0.1654","0.1806","","","","","","1.053","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4350116","12.003","0.003","12.133","0.003","13.327","0.003","116.114","0.004","103.539","0.004","99.52","0.004","1612.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Cu(L2)N3]ClO4","","","- C25 H39 Cl Cu N12 O6 -","- C25 H39 Cl Cu N12 O6 -","- C50 H78 Cl2 Cu2 N24 O12 -","2","1","","Cheruzel, Lionel E.; Cecil, Matthew R.; Edison, Sara E.; Mashuta, Mark S.; Baldwin, Michael J.; Buchanan, Robert M.","Structural and spectroscopic characterization of copper(II) complexes of a new bisamide functionalized imidazole tripod and evidence for the formation of a mononuclear end-on Cu-OOH species.","Inorganic chemistry","2006","45","8","3191","3202","10.1021/ic051280s","","","0.71073","MoKα","","0.1663","0.0645","","","0.113","0.1239","","","","","","1.013","","","","has coordinates","239746","2020-10-21","18:00:00",""
"4350117","8.3253","0.0002","14.0611","0.0005","20.5801","0.0007","86.609","0.001","88.42","0.002","88.105","0.002","2402.84","0.13","200","0.1","200","0.1","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C36 H64 Cl2 N6 O12 S4 Zn2 -","- C36 H64 Cl2 N6 O12 S3.957 Zn2 -","- C72 H128 Cl4 N12 O24 S7.914 Zn4 -","2","1","","Allred, Russell A.; Doyle, Kelly; Arif, Atta M.; Berreau, Lisa M.","Solvent effects on the structural and formyl substrate reactivity properties of a nitrogen/sulfur-ligated zinc hydroxide complex.","Inorganic chemistry","2006","45","10","4097","4108","10.1021/ic051603k","","x-ray","0.71073","MoKα","","0.0921","0.0613","","","0.1515","0.1715","","","","","","1.013","","","","has coordinates,has disorder","239747","2020-10-21","18:00:00",""
"4350118","14.8952","0.0014","9.7133","0.0009","13.6878","0.0012","90","","90","","90","","1980.4","0.3","295","2","295","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C4 H23 Co4 F N4 O17 P4 -","- C4 H23 Co4 F N4 O17 P4 -","- C16 H92 Co16 F4 N16 O68 P16 -","4","0.25","","Chang, Wei-Kuo; Wur, Ching-Shuei; Wang, Sue-Lein; Chiang, Ray-Kuang","Hydrothermal synthesis and characterization of two cobalt phosphates based on double-four-ring units with fluorine-occlusion and phosphite-substitution modifications.","Inorganic chemistry","2006","45","17","6622","6627","10.1021/ic051634f","","","0.71073","MoKα","","0.0229","0.0226","","","0.0626","0.0628","","","","","","1.186","","","","has coordinates","239748","2020-10-21","18:00:00",""
"4350119","10.2033","0.0004","10.2033","0.0004","9.5545","0.0009","90","","90","","90","","994.69","0.11","294","2","294","2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C4 H22.68 Co4 F0.68 N4 O16.32 P4 -","- C4 H14 Co4 F0.76 N4 O16.824 P4 -","- C8 H28 Co8 F1.52 N8 O33.648 P8 -","2","0.125","","Chang, Wei-Kuo; Wur, Ching-Shuei; Wang, Sue-Lein; Chiang, Ray-Kuang","Hydrothermal synthesis and characterization of two cobalt phosphates based on double-four-ring units with fluorine-occlusion and phosphite-substitution modifications.","Inorganic chemistry","2006","45","17","6622","6627","10.1021/ic051634f","","","0.71073","MoKα","","0.0521","0.0464","","","0.1295","0.1326","","","","","","1.084","","","","has coordinates","239748","2020-10-21","18:00:00",""
"4350120","15.6672","0.0016","14.4312","0.0015","15.6577","0.0016","90","","104.966","0.002","90","","3420.1","0.6","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl N4 O P2 Rh -","- C34 H42 Cl N4 O P2 Rh -","- C136 H168 Cl4 N16 O4 P8 Rh4 -","4","1","","Dennett, James N. L.; Bierenstiel, Matthias; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Various coordination modes of the bis(di(o-N,N-dimethylanilinyl)phosphino)methane ligand in mononuclear and binuclear complexes of group 8 and group 9 metals.","Inorganic chemistry","2006","45","9","3705","3717","10.1021/ic051639c","","","0.71073","MoKα","","0.0413","0.0357","","","0.0958","0.1002","","","","","","1.11","","","","has coordinates","239749","2020-10-21","18:00:00",""
"4350121","15.7236","0.0006","14.3785","0.0005","15.6551","0.0006","90","","105.026","0.001","90","","3418.3","0.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl Ir N4 O P2 -","- C34 H42 Cl Ir N4 O P2 -","- C136 H168 Cl4 Ir4 N16 O4 P8 -","4","1","","Dennett, James N. L.; Bierenstiel, Matthias; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Various coordination modes of the bis(di(o-N,N-dimethylanilinyl)phosphino)methane ligand in mononuclear and binuclear complexes of group 8 and group 9 metals.","Inorganic chemistry","2006","45","9","3705","3717","10.1021/ic051639c","","","0.71073","MoKα","","0.0242","0.0215","","","0.0545","0.056","","","","","","1.037","","","","has coordinates,has disorder","239749","2020-10-21","18:00:00",""
"4350122","17.3516","0.0006","20.0932","0.0007","20.9362","0.0007","90","","90","","90","","7299.4","0.4","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42 Cl2 Ir2 N4 O2 P2 -","- C35 H42 Cl2 Ir2 N4 O2 P2 -","- C280 H336 Cl16 Ir16 N32 O16 P16 -","8","2","","Dennett, James N. L.; Bierenstiel, Matthias; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Various coordination modes of the bis(di(o-N,N-dimethylanilinyl)phosphino)methane ligand in mononuclear and binuclear complexes of group 8 and group 9 metals.","Inorganic chemistry","2006","45","9","3705","3717","10.1021/ic051639c","","","0.71073","MoKα","","0.0238","0.021","","","0.0484","0.0491","","","","","","1.042","","","","has coordinates","239749","2020-10-21","18:00:00",""
"4350123","12.2902","0.0007","16.4522","0.0009","19.0154","0.0011","90","","107.735","0.001","90","","3662.2","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 N4 O3 P2 Ru -","- C36 H42 N4 O3 P2 Ru -","- C144 H168 N16 O12 P8 Ru4 -","4","1","","Dennett, James N. L.; Bierenstiel, Matthias; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Various coordination modes of the bis(di(o-N,N-dimethylanilinyl)phosphino)methane ligand in mononuclear and binuclear complexes of group 8 and group 9 metals.","Inorganic chemistry","2006","45","9","3705","3717","10.1021/ic051639c","","","0.71073","MoKα","","0.0329","0.0264","","","0.0653","0.0688","","","","","","1.032","","","","has coordinates","239749","2020-10-21","18:00:00",""
"4350124","9.5072","0.001","10.2779","0.001","13.497","0.002","78.693","0.01","71.953","0.01","82.483","0.01","1226.1","0.3","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H29 K2 N2 Nd O17 -","- C11 H29 K2 N2 Nd O17 -","- C22 H58 K4 N4 Nd2 O34 -","2","1","","Tircsó, Gyula; Bényei, Attila; Brücher, Ernõ; Kis, Anita; Kiraly, Róbert","Equilibria and structure of the lanthanide(III)-2-hydroxy-1,3-diaminopropane-N,N,N',N'-tetraacetate complexes: formation of alkoxo-bridged dimers in solid state and solution.","Inorganic chemistry","2006","45","13","4951","4962","10.1021/ic0517321","","x-ray","0.71073","MoKα","","0.0384","0.0327","","","0.1316","0.1365","","","","","","1.503","","","","has coordinates","239750","2020-10-21","18:00:00",""
"4350125","36.08","0.014","14.323","0.009","36.672","0.017","90","","112.063","0.001","90","","17563","15","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48.5 H46.5 N2 Pt S2 -","- C50 H48 N2 Pt S2 -","- C800 H768 N32 Pt16 S32 -","16","2","","Weinstein, Julia A.; Tierney, Mark T.; Davies, E. Stephen; Base, Karel; Robeiro, Anthony A.; Grinstaff, Mark W.","Probing the electronic structure of platinum(II) chromophores: crystal structures, NMR structures, and photophysical properties of six new bis- and di- phenolate/thiolate Pt(II)diimine chromophores.","Inorganic chemistry","2006","45","11","4544","4555","10.1021/ic051733t","","","0.71073","MolybdenumKα","","0.116","0.053","","0.092","0.058","","","","","1.5","1.5","","","","","has coordinates","276336","2022-06-28","15:43:14",""
"4350126","12.3851","0.0008","14.4997","0.0009","15.9015","0.001","114.399","0.001","108.646","0.001","96.565","0.001","2361.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H32 Cl10 Co Cu N9 O7 P3 -","- C33 H30 Cl10 Co Cu N9 O7 P3 -","- C66 H60 Cl20 Co2 Cu2 N18 O14 P6 -","2","1","","Chandrasekhar, Vadapalli; Pandian, Balasubramanian Murugesa; Azhakar, Ramachandran","Di- and trinuclear complexes derived from hexakis(2-pyridyloxy)cyclotriphosphazene. Unusual P-O bond cleavage in the formation of [{(L'CuCl)2(Co(NO3)}Cl] (L' = N3P3(OC5H4N)5(O)).","Inorganic chemistry","2006","45","9","3510","3518","10.1021/ic0517467","","","0.71073","MoKα","","0.0506","0.0459","","","0.1131","0.1163","","","","","","1.039","","","","has coordinates","239752","2020-10-21","18:00:00",""
"4350127","12.3771","0.0008","14.518","0.001","15.8869","0.0011","114.474","0.001","108.724","0.001","96.447","0.001","2359","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H32 Cl10 Cu N9 O7 P3 Zn -","- C33 H32 Cl10 Cu N9 O7 P3 Zn -","- C66 H64 Cl20 Cu2 N18 O14 P6 Zn2 -","2","1","","Chandrasekhar, Vadapalli; Pandian, Balasubramanian Murugesa; Azhakar, Ramachandran","Di- and trinuclear complexes derived from hexakis(2-pyridyloxy)cyclotriphosphazene. Unusual P-O bond cleavage in the formation of [{(L'CuCl)2(Co(NO3)}Cl] (L' = N3P3(OC5H4N)5(O)).","Inorganic chemistry","2006","45","9","3510","3518","10.1021/ic0517467","","","0.71073","MoKα","","0.0581","0.0505","","","0.138","0.1432","","","","","","1.04","","","","has coordinates","239752","2020-10-21","18:00:00",""
"4350128","12.4411","0.0007","14.4689","0.0008","15.9762","0.0009","114.744","0.001","109.444","0.001","95.729","0.001","2364.9","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H32 Cl10 Co N9 O7 P3 Zn -","- C33 H30 Cl10 Co N9 O7 P3 Zn -","- C66 H60 Cl20 Co2 N18 O14 P6 Zn2 -","2","1","","Chandrasekhar, Vadapalli; Pandian, Balasubramanian Murugesa; Azhakar, Ramachandran","Di- and trinuclear complexes derived from hexakis(2-pyridyloxy)cyclotriphosphazene. Unusual P-O bond cleavage in the formation of [{(L'CuCl)2(Co(NO3)}Cl] (L' = N3P3(OC5H4N)5(O)).","Inorganic chemistry","2006","45","9","3510","3518","10.1021/ic0517467","","","0.71073","MoKα","","0.0605","0.0522","","","0.1386","0.1444","","","","","","1.041","","","","has coordinates","239752","2020-10-21","18:00:00",""
"4350129","18.964","0.005","14.599","0.005","32.075","0.005","90","","90","","90","","8880","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H24 Cl4 N9 O6 P3 Zn2 -","- C30 H24 Cl4 N9 O6 P3 Zn2 -","- C240 H192 Cl32 N72 O48 P24 Zn16 -","8","1","","Chandrasekhar, Vadapalli; Pandian, Balasubramanian Murugesa; Azhakar, Ramachandran","Di- and trinuclear complexes derived from hexakis(2-pyridyloxy)cyclotriphosphazene. Unusual P-O bond cleavage in the formation of [{(L'CuCl)2(Co(NO3)}Cl] (L' = N3P3(OC5H4N)5(O)).","Inorganic chemistry","2006","45","9","3510","3518","10.1021/ic0517467","","","0.71069","MoKα","","0.1696","0.084","","","0.1741","0.2056","","","","","","0.966","","","","has coordinates","239752","2020-10-21","18:00:00",""
"4350130","22.6394","0.0018","28.2017","0.0018","45.26","0.004","90","","90","","90","","28897","4","100","2","100","2","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C53 H46 Cl9 Co Cu2 N17 O16 P6 -","- C49.7778 H35.5556 Cl8.88889 Co0.888889 Cu1.77778 N15.1111 O15.1111 P5.33333 -","- C896 H640 Cl160 Co16 Cu32 N272 O272 P96 -","18","0.5625","","Chandrasekhar, Vadapalli; Pandian, Balasubramanian Murugesa; Azhakar, Ramachandran","Di- and trinuclear complexes derived from hexakis(2-pyridyloxy)cyclotriphosphazene. Unusual P-O bond cleavage in the formation of [{(L'CuCl)2(Co(NO3)}Cl] (L' = N3P3(OC5H4N)5(O)).","Inorganic chemistry","2006","45","9","3510","3518","10.1021/ic0517467","","","0.71073","MoKα","","0.0755","0.0598","","","0.166","0.1787","","","","","","1.027","","","","has coordinates,has disorder","239752","2020-10-21","18:00:00",""
"4350131","11.0621","0.0008","14.3804","0.001","15.9531","0.0012","64.451","0.002","75.017","0.002","77.383","0.002","2195.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H52 Cu2 F6 N6 O13 S2 -","- C32 H52 Cu2 F6 N6 O13 S2 -","- C64 H104 Cu4 F12 N12 O26 S4 -","2","1","","Costas, Miquel; Ribas, Xavi; Poater, Albert; López Valbuena, Josep Maria; Xifra, Raül; Company, Anna; Duran, Miquel; Solà, Miquel; Llobet, Antoni; Corbella, Montserrat; Usón, Miguel Angel; Mahía, José; Solans, Xavier; Shan, Xiaopeng; Benet-Buchholz, Jordi","Copper(II) hexaaza macrocyclic binuclear complexes obtained from the reaction of their copper(I) derivates and molecular dioxygen.","Inorganic chemistry","2006","45","9","3569","3581","10.1021/ic051800j","","","0.71073","MoKα","","0.135","0.0651","","","0.1411","0.1637","","","","","","0.875","","","","has coordinates,has disorder","239753","2020-10-21","18:00:00",""
"4350132","22.107","0.006","18.991","0.003","9.44","0.002","90","","90","","90","","3963.2","1.5","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C30 H49 Cu2 F12 N7 O2 P2 -","- C30 H49 Cu2 F12 N7 O2 P2 -","- C120 H196 Cu8 F48 N28 O8 P8 -","4","1","","Costas, Miquel; Ribas, Xavi; Poater, Albert; López Valbuena, Josep Maria; Xifra, Raül; Company, Anna; Duran, Miquel; Solà, Miquel; Llobet, Antoni; Corbella, Montserrat; Usón, Miguel Angel; Mahía, José; Solans, Xavier; Shan, Xiaopeng; Benet-Buchholz, Jordi","Copper(II) hexaaza macrocyclic binuclear complexes obtained from the reaction of their copper(I) derivates and molecular dioxygen.","Inorganic chemistry","2006","45","9","3569","3581","10.1021/ic051800j","","","0.71073","MoKα","","0.0803","0.0541","","0.1435","0.1258","","","","1.137","1.153","1.153","","","","","has coordinates,has disorder","239753","2020-10-21","18:00:00",""
"4350133","14.685","0.004","17.307","0.004","16.475","0.003","90","","93.3","0.02","90","","4180.2","1.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 Cl2 Cu2 N6 O12 -","- C32 H52 Cl2 Cu2 N6 O12 -","- C128 H208 Cl8 Cu8 N24 O48 -","4","0.5","","Costas, Miquel; Ribas, Xavi; Poater, Albert; López Valbuena, Josep Maria; Xifra, Raül; Company, Anna; Duran, Miquel; Solà, Miquel; Llobet, Antoni; Corbella, Montserrat; Usón, Miguel Angel; Mahía, José; Solans, Xavier; Shan, Xiaopeng; Benet-Buchholz, Jordi","Copper(II) hexaaza macrocyclic binuclear complexes obtained from the reaction of their copper(I) derivates and molecular dioxygen.","Inorganic chemistry","2006","45","9","3569","3581","10.1021/ic051800j","","","0.71073","MoKα","","0.0918","0.0647","","","0.1807","0.206","","","","","","1.036","","","","has coordinates","239753","2020-10-21","18:00:00",""
"4350134","8.1","0.0009","8.4841","0.0014","19.665","0.002","89.683","0.01","78.182","0.008","87.932","0.009","1321.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H35 Be3 N4 O21 P5 -","- C10 H32 Be3 N4 O21 P5 -","- C20 H64 Be6 N8 O42 P10 -","2","1","","Guo, Min; Yu, Jihong; Li, Jiyang; Li, Yi; Xu, Ruren","Syntheses and structures of two low-dimensional beryllium phosphate compounds: [C5H14N2]2[Be3(HPO4)5].H2O and [C6H18N2]0.5[Be2(PO4)(HPO4)OH].0.5H2O.","Inorganic chemistry","2006","45","8","3281","3286","10.1021/ic051906e","","","0.71073","MoKα","","0.0783","0.0523","","","0.1437","0.1643","","","","","","1.02","","","","has coordinates","239754","2020-10-21","18:00:00",""
"4350135","26.01","0.04","8.431","0.012","9.598","0.013","90","","90","","90","","2105","5","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C3 H12 Be2 N O9.5 P2 -","- C3 H11 Be2 N O9.5 P2 -","- C24 H88 Be16 N8 O76 P16 -","8","1","","Guo, Min; Yu, Jihong; Li, Jiyang; Li, Yi; Xu, Ruren","Syntheses and structures of two low-dimensional beryllium phosphate compounds: [C5H14N2]2[Be3(HPO4)5].H2O and [C6H18N2]0.5[Be2(PO4)(HPO4)OH].0.5H2O.","Inorganic chemistry","2006","45","8","3281","3286","10.1021/ic051906e","","","0.71073","MoKα","","0.1237","0.0833","","","0.2121","0.2278","","","","","","1.169","","","","has coordinates","239755","2020-10-21","18:00:00",""
"4350136","14.842","0.002","11.4839","0.0015","12.8433","0.0017","90","","103.49","0.002","90","","2128.7","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cl2 Fe4 P4 Ru -","- C44 H52 Cl2 Fe4 P4 Ru -","- C88 H104 Cl4 Fe8 P8 Ru2 -","2","0.5","","Paris, Shadrick I. M.; Petersen, Jeffrey L.; Hey-Hawkins, Evamarie; Jensen, Michael P.","Spectroscopic characterization of primary and secondary phosphine ligation on ruthenium(II) complexes.","Inorganic chemistry","2006","45","14","5561","5567","10.1021/ic0519281","","","0.71073","MoKα","","0.0554","0.0336","","","0.079","0.0872","","","","","","1.032","","","","has coordinates","239756","2020-10-21","18:00:00",""
"4350137","8.5832","0.0012","8.5832","0.0012","52.61","0.011","90","","90","","120","","3356.6","1","293","2","293","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C6 H27 Co N6 O16 P4 Zn3 -","- C6 H27 Co N6 O16 P4 Zn3 -","- C36 H162 Co6 N36 O96 P24 Zn18 -","6","0.5","","Wang, Yu; Chen, Peng; Li, Jiyang; Yu, Jihong; Xu, Jin; Pan, Qinhe; Xu, Ruren","Chiral layered zincophosphate [d-Co(en)3]Zn3(H0.5PO4)2(HPO4)2 assembled about d-Co(en)(3)3+ complex cations.","Inorganic chemistry","2006","45","12","4764","4768","10.1021/ic0519640","","","0.71073","MoKα","","0.0448","0.0415","","","0.1354","0.1383","","","","","","1.032","","","","has coordinates","239757","2020-10-21","18:00:00",""
"4350138","11.069","0.004","11.6728","0.0015","15.0716","0.0017","81.312","0.008","69.95","0.018","81.96","0.02","1800.2","0.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H23 P -","- C23 H23 P -","- C92 H92 P4 -","4","2","","Diaz, Armando A.; Young, Jackie D.; Khan, Masood A.; Wehmschulte, Rudolf J.","Facile synthesis of unsymmetrical 9-phospha- and 9-arsafluorenes.","Inorganic chemistry","2006","45","14","5568","5575","10.1021/ic051976l","","","0.71073","MoKα","","0.044","0.0387","","","0.1042","0.1087","","","","","","1.018","","","","has coordinates","239758","2020-10-21","18:00:00",""
"4350139","7.7148","0.0003","10.8237","0.0005","14.6848","0.0006","80.107","0.001","81.855","0.001","77.302","0.001","1171.53","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 Fe O4 P -","- C27 H23 Fe O4 P -","- C54 H46 Fe2 O8 P2 -","2","1","","Diaz, Armando A.; Young, Jackie D.; Khan, Masood A.; Wehmschulte, Rudolf J.","Facile synthesis of unsymmetrical 9-phospha- and 9-arsafluorenes.","Inorganic chemistry","2006","45","14","5568","5575","10.1021/ic051976l","","","0.71073","MoKα","","0.029","0.0284","","","0.0777","0.0781","","","","","","1.029","","","","has coordinates","239758","2020-10-21","18:00:00",""
"4350140","11.0207","0.0016","12.3536","0.0018","12.8898","0.0018","79.197","0.002","76.3","0.002","76.714","0.002","1642.8","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cl5 P Ru -","- C34 H38 Cl5 P Ru -","- C68 H76 Cl10 P2 Ru2 -","2","1","","Diaz, Armando A.; Young, Jackie D.; Khan, Masood A.; Wehmschulte, Rudolf J.","Facile synthesis of unsymmetrical 9-phospha- and 9-arsafluorenes.","Inorganic chemistry","2006","45","14","5568","5575","10.1021/ic051976l","","","0.71073","MoKα","","0.0289","0.025","","","0.0667","0.0696","","","","","","1.065","","","","has coordinates","239758","2020-10-21","18:00:00",""
"4350141","8.107","0.006","14.232","0.01","14.612","0.009","71.95","0.03","68.98","0.03","83.82","0.04","1496.3","1.8","93.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C69 H68 Mn2 N12 O9 -","- C69 H64 Mn2 N12 O9 -","- C69 H64 Mn2 N12 O9 -","1","0.5","","Kachi-Terajima, Chihiro; Miyasaka, Hitoshi; Sugiura, Ken-Ichi; Clérac, Rodolphe; Nojiri, Hiroyuki","From an S(T) = 3 single-molecule magnet to diamagnetic ground state depending on the molecular packing of Mn(III)salen-type dimers decorated by N,N'-dicyano-1,4-naphthoquinonediiminate radicals.","Inorganic chemistry","2006","45","11","4381","4390","10.1021/ic0519842","","","0.7107","MoKα","","","0.065","","","","0.199","","","","","","1","","","","has coordinates","239759","2020-10-21","18:00:00",""
"4350142","31.645","0.006","10.5","0.002","20.926","0.004","90","","106.64","0.03","90","","6662","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 Cl F0 Ir N4 O4 P0 -","- C42 H28 Cl Ir N4 O4 -","- C336 H224 Cl8 Ir8 N32 O32 -","8","1","","Zhao, Qiang; Liu, Shujuan; Shi, Mei; Wang, Chuanming; Yu, Mengxiao; Li, Lei; Li, Fuyou; Yi, Tao; Huang, Chunhui","Series of new cationic iridium(III) complexes with tunable emission wavelength and excited state properties: structures, theoretical calculations, and photophysical and electrochemical properties.","Inorganic chemistry","2006","45","16","6152","6160","10.1021/ic052034j","","","0.71073","MoKα","","0.0319","0.0264","","","0.071","0.0742","","","","","","1.056","","","","has coordinates,has disorder","239760","2020-10-21","18:00:00",""
"4350143","11.919","0.002","14.675","0.003","15.736","0.003","116.18","0.03","94.94","0.03","98.5","0.03","2407.1","1.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H34 Cl2 F6 Ir N4 O0 P -","- C49 H34 Cl2 F6 Ir N4 P -","- C98 H68 Cl4 F12 Ir2 N8 P2 -","2","1","","Zhao, Qiang; Liu, Shujuan; Shi, Mei; Wang, Chuanming; Yu, Mengxiao; Li, Lei; Li, Fuyou; Yi, Tao; Huang, Chunhui","Series of new cationic iridium(III) complexes with tunable emission wavelength and excited state properties: structures, theoretical calculations, and photophysical and electrochemical properties.","Inorganic chemistry","2006","45","16","6152","6160","10.1021/ic052034j","","","0.71073","MoKα","","0.0885","0.0573","","","0.1389","0.156","","","","","","0.977","","","","has coordinates","239760","2020-10-21","18:00:00",""
"4350144","9.7137","0.0019","30.905","0.006","14.557","0.003","90","","100.753","0.002","90","","4293.3","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H37 F6 Ir N5 O P -","- C50 H37 F6 Ir N5 O P -","- C200 H148 F24 Ir4 N20 O4 P4 -","4","1","","Zhao, Qiang; Liu, Shujuan; Shi, Mei; Wang, Chuanming; Yu, Mengxiao; Li, Lei; Li, Fuyou; Yi, Tao; Huang, Chunhui","Series of new cationic iridium(III) complexes with tunable emission wavelength and excited state properties: structures, theoretical calculations, and photophysical and electrochemical properties.","Inorganic chemistry","2006","45","16","6152","6160","10.1021/ic052034j","","","0.71073","MoKα","","0.0753","0.0508","","","0.1169","0.1322","","","","","","1.092","","","","has coordinates","239760","2020-10-21","18:00:00",""
"4350145","25.924","0.0017","32.412","0.002","13.2616","0.0009","90","","90","","90","","11143","1.3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H29 Br2 P -","- C31 H29 Br2 P -","- C496 H464 Br32 P16 -","16","1","","Gudimetla, Vittal B.; Rheingold, Arnold L.; Payton, John L.; Peng, Huo-Lei; Simpson, M. Cather; Protasiewicz, John D.","Photochemical E-Z isomerization of meta-terphenyl-protected phosphaalkenes and structural characterizations.","Inorganic chemistry","2006","45","13","4895","4901","10.1021/ic0520521","","","0.71073","MoKα","","0.0366","0.0326","","","0.0745","0.0758","","","","","","0.99","","","","has coordinates","239761","2020-10-21","18:00:00",""
"4350146","17.8482","0.0016","9.6996","0.0009","16.4619","0.0014","90","","111.385","0.001","90","","2653.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Br2 P -","- C31 H29 Br2 P -","- C124 H116 Br8 P4 -","4","1","","Gudimetla, Vittal B.; Rheingold, Arnold L.; Payton, John L.; Peng, Huo-Lei; Simpson, M. Cather; Protasiewicz, John D.","Photochemical E-Z isomerization of meta-terphenyl-protected phosphaalkenes and structural characterizations.","Inorganic chemistry","2006","45","13","4895","4901","10.1021/ic0520521","","","0.71073","MoKα","","0.055","0.0395","","","0.1001","0.1076","","","","","","1.028","","","","has coordinates","239762","2020-10-21","18:00:00",""
"4350147","10.587","0.005","11.919","0.004","19.215","0.009","90","","102.2","0.04","90","","2369.9","1.8","90","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Co F12 N2 O6 -","- C17 H15 Co F12 N2 O6 -","- C68 H60 Co4 F48 N8 O24 -","4","1","","Ishii, Norio; Ishida, Takayuki; Nogami, Takashi","Polymorphic alternating HNN-cobalt(II) chains both behaving as single-chain magnets (HNN = 4,4,5,5-tetramethylimidazolin-1-oxyl 3-oxide).","Inorganic chemistry","2006","45","10","3837","3839","10.1021/ic052119k","","","0.7107","MoKα","","","0.059","","","","0.072","","","","","","1.894","","","","has coordinates","239763","2020-10-21","18:00:00",""
"4350148","26.08","0.01","11.574","0.006","24.64","0.01","90","","99.48","0.04","90","","7336","6","100","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Co F12 N2 O6 -","- C17 H15 Co F12 N2 O6 -","- C204 H180 Co12 F144 N24 O72 -","12","1.5","","Ishii, Norio; Ishida, Takayuki; Nogami, Takashi","Polymorphic alternating HNN-cobalt(II) chains both behaving as single-chain magnets (HNN = 4,4,5,5-tetramethylimidazolin-1-oxyl 3-oxide).","Inorganic chemistry","2006","45","10","3837","3839","10.1021/ic052119k","","","0.7107","MoKα","","","0.066","","","","0.099","","","","","","1.006","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4350149","12.631","0.0003","19.625","0.0006","16.581","0.0003","90","","96.55","0.0015","90","","4083.33","0.17","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 N2 O4 Zr -","- C40 H68 N2 O4 Zr -","- C160 H272 N8 O16 Zr4 -","4","1","","Gendler, Shimrit; Segal, Sharon; Goldberg, Israel; Goldschmidt, Zeev; Kol, Moshe","Titanium and zirconium complexes of dianionic and trianionic amine-phenolate-type ligands in catalysis of lactide polymerization.","Inorganic chemistry","2006","45","12","4783","4790","10.1021/ic052120j","","","0.71073","MoKα","","0.1154","0.0588","","","0.1414","0.1701","","","","","","0.963","","","","has coordinates,has disorder","239765","2020-10-21","18:00:00",""
"4350150","12.3186","0.0002","15.3071","0.0002","25.6619","0.0004","90","","93.8574","0.0007","90","","4827.9","0.13","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H82 N2 O5 Zr -","- C46 H82 N2 O5 Zr -","- C184 H328 N8 O20 Zr4 -","4","1","","Gendler, Shimrit; Segal, Sharon; Goldberg, Israel; Goldschmidt, Zeev; Kol, Moshe","Titanium and zirconium complexes of dianionic and trianionic amine-phenolate-type ligands in catalysis of lactide polymerization.","Inorganic chemistry","2006","45","12","4783","4790","10.1021/ic052120j","","","0.71073","MoKα","","0.1226","0.0621","","","0.1448","0.1745","","","","","","1.058","","","","has coordinates","239765","2020-10-21","18:00:00",""
"4350151","14.59","0.0004","14.59","0.0004","25.406","0.0007","90","","90","","90","","5408.1","0.3","110","2","110","2","","","","","","","","5","P 41","P 4w","76","","","","- C54 H87 N O4 Zr -","- C54 H75 N O4 Zr -","- C216 H300 N4 O16 Zr4 -","4","1","","Gendler, Shimrit; Segal, Sharon; Goldberg, Israel; Goldschmidt, Zeev; Kol, Moshe","Titanium and zirconium complexes of dianionic and trianionic amine-phenolate-type ligands in catalysis of lactide polymerization.","Inorganic chemistry","2006","45","12","4783","4790","10.1021/ic052120j","","","0.71073","MoKα","","0.1106","0.0837","","","0.2066","0.2296","","","","","","0.993","","","","has coordinates","239765","2020-10-21","18:00:00",""
"4350152","12.328","0.001","12.901","0.001","24.666","0.002","77.466","0.001","79.834","0.001","75.178","0.001","3671.5","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H62 B Cl12 Cu N9 P S3 -","- C57 H61 B Cl9 Cu N9 P S3 -","- C114 H122 B2 Cl18 Cu2 N18 P2 S6 -","2","1","","Gennari, Marcello; Lanfranchi, Maurizio; Marchiò, Luciano; Pellinghelli, Maria Angela; Tegoni, Matteo; Cammi, Roberto","Cu(I) dinuclear complexes with tripodal ligands vs monodentate donors: triphenylphosphine, thiourea, and pyridine. A 1H NMR titration study.","Inorganic chemistry","2006","45","8","3456","3466","10.1021/ic052129l","","","0.71073","MoKα","","0.1186","0.0551","","","0.1123","0.1217","","","","","","1.003","","","","has coordinates","239766","2020-10-21","18:00:00",""
"4350153","10.573","0.001","13.571","0.001","18.381","0.002","106.265","0.002","97.971","0.002","104.757","0.002","2384.9","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H38 B Cu N13 O P S3 -","- C45 H38 B Cu N13 O P S3 -","- C90 H76 B2 Cu2 N26 O2 P2 S6 -","2","1","","Gennari, Marcello; Lanfranchi, Maurizio; Marchiò, Luciano; Pellinghelli, Maria Angela; Tegoni, Matteo; Cammi, Roberto","Cu(I) dinuclear complexes with tripodal ligands vs monodentate donors: triphenylphosphine, thiourea, and pyridine. A 1H NMR titration study.","Inorganic chemistry","2006","45","8","3456","3466","10.1021/ic052129l","","","0.71073","MoKα","","0.1327","0.0465","","","0.0804","0.09","","","","","","1.004","","","","has coordinates,has disorder","239766","2020-10-21","18:00:00",""
"4350154","19.682","0.008","17.139","0.008","32.789","0.009","90","","97.26","0.02","90","","10972","7","245","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H53 B Cl6 Cu N11 S4 -","- C38 H49 B Cl2 Cu N11 S4 -","- C304 H392 B8 Cl16 Cu8 N88 S32 -","8","2","","Gennari, Marcello; Lanfranchi, Maurizio; Marchiò, Luciano; Pellinghelli, Maria Angela; Tegoni, Matteo; Cammi, Roberto","Cu(I) dinuclear complexes with tripodal ligands vs monodentate donors: triphenylphosphine, thiourea, and pyridine. A 1H NMR titration study.","Inorganic chemistry","2006","45","8","3456","3466","10.1021/ic052129l","","","1.5418","CuKα","","0.1973","0.085","","","0.1655","0.1865","","","","","","1.01","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4350155","10.988","0.002","12.236","0.003","12.292","0.003","65.459","0.003","77.598","0.004","85.232","0.004","1468.2","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","CuI(dpt)","Copper(I) iodide 2,4-bis(4-pyridyl)-1,3,5-triazine","","- C28 H21 Cu2 I2 N11 -","- C28 H21 Cu2 I2 N11 -","- C56 H42 Cu4 I4 N22 -","2","1","","Thébault, Frédéric; Barnett, Sarah A.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.; Schröder, Martin","Control of copper(I) iodide architectures by ligand design: angular versus linear bridging ligands.","Inorganic chemistry","2006","45","16","6179","6187","10.1021/ic052130k","","","0.71073","MoKα","","0.0638","0.0359","","","0.0689","0.0755","","","","","","0.893","","","","has coordinates","239767","2020-10-21","18:00:00",""
"4350156","21.618","0.003","4.2267","0.0007","15.212","0.002","90","","90","","90","","1390","0.4","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H12 Cu I N2 -","- C16 H12 Cu I N2 -","- C64 H48 Cu4 I4 N8 -","4","0.5","","Thébault, Frédéric; Barnett, Sarah A.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.; Schröder, Martin","Control of copper(I) iodide architectures by ligand design: angular versus linear bridging ligands.","Inorganic chemistry","2006","45","16","6179","6187","10.1021/ic052130k","","","0.71073","MoKα","","0.0416","0.0252","","","0.0528","0.0571","","","","","","0.93","","","","has coordinates","239767","2020-10-21","18:00:00",""
"4350157","13.624","0.002","16.235","0.003","30.292","0.005","90","","100.617","0.002","90","","6585.5","1.9","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H44 Cu6 I6 N12 -","- C60 H44 Cu6 I6 N12 -","- C240 H176 Cu24 I24 N48 -","4","1","","Thébault, Frédéric; Barnett, Sarah A.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.; Schröder, Martin","Control of copper(I) iodide architectures by ligand design: angular versus linear bridging ligands.","Inorganic chemistry","2006","45","16","6179","6187","10.1021/ic052130k","","","0.71073","MoKα","","0.13","0.0858","","","0.247","0.264","","","","","","1.049","","","","has coordinates","239767","2020-10-21","18:00:00",""
"4350158","9.04","0.002","14.87","0.003","10.27","0.002","90","","90","","90","","1380.5","0.5","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H11 Cu I N3 -","- C15 H11 Cu I N3 -","- C60 H44 Cu4 I4 N12 -","4","0.5","","Thébault, Frédéric; Barnett, Sarah A.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.; Schröder, Martin","Control of copper(I) iodide architectures by ligand design: angular versus linear bridging ligands.","Inorganic chemistry","2006","45","16","6179","6187","10.1021/ic052130k","","","0.71073","MoKα","","0.0518","0.0295","","","0.0547","0.0603","","","","","","0.982","","","","has coordinates","239767","2020-10-21","18:00:00",""
"4350159","8.643","0.002","20.034","0.005","8.384","0.002","90","","99.846","0.004","90","","1430.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cu3 I3 N3 -","- C9 H7 Cu3 I3 N3 -","- C36 H28 Cu12 I12 N12 -","4","1","","Thébault, Frédéric; Barnett, Sarah A.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.; Schröder, Martin","Control of copper(I) iodide architectures by ligand design: angular versus linear bridging ligands.","Inorganic chemistry","2006","45","16","6179","6187","10.1021/ic052130k","","","0.71073","MoKα","","0.0256","0.0229","","","0.0486","0.0496","","","","","","1.158","","","","has coordinates","239767","2020-10-21","18:00:00",""
"4350160","38.565","0.008","3.714","0.0007","29.75","0.006","90","","126.78","0.03","90","","3412.9","1.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N6 O2 -","- C18 H17 N6 O2 -","- C144 H136 N48 O16 -","8","1","","Thébault, Frédéric; Barnett, Sarah A.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.; Schröder, Martin","Control of copper(I) iodide architectures by ligand design: angular versus linear bridging ligands.","Inorganic chemistry","2006","45","16","6179","6187","10.1021/ic052130k","","","0.71073","MoKα","","0.133","0.0786","","","0.16","0.182","","","","","","1.08","","","","has coordinates,has disorder","239767","2020-10-21","18:00:00",""
"4350161","23.681","0.002","20.6169","0.0019","8.7336","0.0008","90","","90","","90","","4264","0.7","80","2","80","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H28 Co N6 O20 -","- C40 H28 Co N6 O20 -","- C160 H112 Co4 N24 O80 -","4","0.5","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.1226","0.0805","","","0.2361","0.2716","","","","","","1.013","","","","has coordinates,has disorder","239768","2020-10-21","18:00:00",""
"4350162","23.092","0.005","20.572","0.005","8.496","0.002","90","","90","","90","","4036","1.6","696","2","423","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H28 Co N6 O14 -","- C40.4 H20 Co N6 O14.2 -","- C161.6 H80 Co4 N24 O56.8 -","4","0.5","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.2127","0.1039","","","0.2384","0.3119","","","","","","1.039","","","","has coordinates,has disorder","239768","2020-10-21","18:00:00",""
"4350163","23.025","0.003","20.722","0.003","8.279","0.0012","90","","90","","90","","3950.1","1","80","2","80","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H28 Co N6 O14 -","- C40.348 H28 Co N6 O14.174 -","- C161.392 H112 Co4 N24 O56.696 -","4","0.5","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.0978","0.0785","","","0.1904","0.1998","","","","","","1.121","","","","has coordinates,has disorder","239768","2020-10-21","18:00:00",""
"4350164","23.677","0.003","20.576","0.002","8.7155","0.0009","90","","90","","90","","4246","0.8","80","2","80","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H28 Co N6 O20 -","- C40 H28 Co N6 O20 -","- C160 H112 Co4 N24 O80 -","4","0.5","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.177","0.0985","","","0.2592","0.334","","","","","","1.137","","","","has coordinates,has disorder","239768","2020-10-21","18:00:00",""
"4350165","23.481","0.002","20.5272","0.0018","8.8844","0.0008","90","","90","","90","","4282.3","0.7","80","2","80","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H28 N6 Ni O18.88 -","- C40 H28 N6 Ni O19.056 -","- C160 H112 N24 Ni4 O76.224 -","4","0.5","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.1307","0.0701","","","0.1966","0.2385","","","","","","1.05","","","","has coordinates,has disorder","239768","2020-10-21","18:00:00",""
"4350166","23","0.005","20.625","0.004","8.5022","0.0017","90","","90","","90","","4033.2","1.4","373","2","373","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H20 N6 Ni O14 -","- C40.004 H20 N6 Ni O14.002 -","- C160.016 H80 N24 Ni4 O56.008 -","4","0.5","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.2268","0.0982","","","0.2009","0.2614","","","","","","1.037","","","","has coordinates,has disorder","239768","2020-10-21","18:00:00",""
"4350167","23.401","0.009","20.501","0.008","8.723","0.003","90","","90","","90","","4185","3","80","2","80","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H28 N6 Ni O19 -","- C40 H28 N6 Ni O19.016 -","- C160 H112 N24 Ni4 O76.064 -","4","0.5","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.2517","0.1165","","","0.2613","0.3165","","","","","","1.172","","","","has coordinates,has disorder","239768","2020-10-21","18:00:00",""
"4350168","16.8603","0.0019","15.6965","0.0018","15.2546","0.0017","90","","112.062","0.002","90","","3741.5","0.7","80","2","80","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H24 Co N6 O13 -","- C35 H24 Co N6 O13 -","- C140 H96 Co4 N24 O52 -","4","1","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.0763","0.0722","","","0.2029","0.2056","","","","","","1.086","","","","has coordinates","239768","2020-10-21","18:00:00",""
"4350169","10.2597","0.0005","19.9558","0.0011","18.0052","0.0009","90","","90","","90","","3686.4","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetrakis[5-tertbutylpyrazole]zinc(II) dinitrate (compound 1)","","- C28 H48 N10 O6 Zn -","- C27.84 H47.64 N9.98 O5.94 Zn -","- C111.36 H190.56 N39.92 O23.76 Zn4 -","4","0.5","","Renard, Sylvie L.; Sylvestre, Isabelle; Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A.","Homoleptic zinc(II) complexes with first and second coordination shells of 5-tert-butylpyrazole.","Inorganic chemistry","2006","45","21","8711","8718","10.1021/ic052144q","","","0.71073","MoKα","","0.0712","0.0584","","","0.1556","0.1697","","","","","","1.04","","","","has coordinates,has disorder","239769","2020-10-21","18:00:00",""
"4350170","13.2821","0.0001","13.2855","0.0002","20.8585","0.0003","87.2741","0.0004","72.4221","0.0005","89.6037","0.0005","3504.74","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis[5-tertbutylpyrazole]zinc(II) tetrakis[5-tertbutylpyrazole] diperchlorate (compound 3)","","- C56 H96 Cl2 N16 O8 Zn -","- C56 H96 Cl1.99 N16 O7.96 Zn -","- C112 H192 Cl3.98 N32 O15.92 Zn2 -","2","1","","Renard, Sylvie L.; Sylvestre, Isabelle; Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A.","Homoleptic zinc(II) complexes with first and second coordination shells of 5-tert-butylpyrazole.","Inorganic chemistry","2006","45","21","8711","8718","10.1021/ic052144q","","","0.71073","MoKα","","0.0832","0.0596","","","0.1645","0.1835","","","","","","1.024","","","","has coordinates,has disorder","239769","2020-10-21","18:00:00",""
"4350171","10.2487","0.0001","10.2487","0.0001","45.1513","0.0005","90","","90","","120","","4107.13","0.07","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","Tetrakis[5-tertbutylpyrazole]zinc(II) bis[5-tertbutylpyrazole] dihexafluorophosphate (compound 4)","","- C42 H72 F12 N12 P2 Zn -","- C42 H72 F12 N12 P2 Zn -","- C126 H216 F36 N36 P6 Zn3 -","3","0.5","","Renard, Sylvie L.; Sylvestre, Isabelle; Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A.","Homoleptic zinc(II) complexes with first and second coordination shells of 5-tert-butylpyrazole.","Inorganic chemistry","2006","45","21","8711","8718","10.1021/ic052144q","","","0.71073","MoKα","","0.0698","0.0499","","","0.1355","0.1494","","","","","","1.041","","","","has coordinates,has disorder","239769","2020-10-21","18:00:00",""
"4350172","8.87","0.0004","13.1244","0.0006","14.3356","0.0007","79.953","0.003","79.869","0.003","71.219","0.003","1542.89","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis[5-{2,4,6-trimethylphenyl}pyrazole]zinc(II) diperchlorate bis-chloroform solvate","","- C50 H58 Cl8 N8 O8 Zn -","- C50 H58 Cl8 N8 O8 Zn -","- C50 H58 Cl8 N8 O8 Zn -","1","0.5","","Renard, Sylvie L.; Sylvestre, Isabelle; Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A.","Homoleptic zinc(II) complexes with first and second coordination shells of 5-tert-butylpyrazole.","Inorganic chemistry","2006","45","21","8711","8718","10.1021/ic052144q","","","0.71073","MoKα","","0.0676","0.0501","","","0.1379","0.1515","","","","","","1.047","","","","has coordinates","239769","2020-10-21","18:00:00",""
"4350173","8.7537","0.0002","13.0438","0.0002","14.0998","0.0002","65.4463","0.0011","74.9735","0.001","71.9867","0.0007","1376.57","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Tetrakis[5-{2,4,6-trimethylphenyl}pyrazole]copper(II) ditetrafluoroborate diethylether solvate","","- C52 H66 B2 Cu F8 N8 O -","- C52 H66 B2 Cu F8 N8 O -","- C52 H66 B2 Cu F8 N8 O -","1","0.5","","Renard, Sylvie L.; Sylvestre, Isabelle; Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A.","Homoleptic zinc(II) complexes with first and second coordination shells of 5-tert-butylpyrazole.","Inorganic chemistry","2006","45","21","8711","8718","10.1021/ic052144q","","","0.71073","MoKα","","0.0447","0.0413","","","0.1225","0.1254","","","","","","1.037","","","","has coordinates,has disorder","239769","2020-10-21","18:00:00",""
"4350174","12.3927","0.0015","13.2752","0.0016","14.3563","0.0018","81.027","0.002","77.828","0.002","89.565","0.002","2279.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H38 Er2 N18 O19 Ru2 -","- C24 H22 Er2 N18 O19 Ru2 -","- C48 H44 Er4 N36 O38 Ru4 -","2","1","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0755","0.0446","","","0.1022","0.1155","","","","","","1.028","","","","has coordinates,has disorder","239770","2020-10-21","18:00:00",""
"4350175","24.713","0.004","6.5565","0.001","12.5558","0.0019","90","","90","","90","","2034.4","0.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Gd N9 O8 Ru -","- C12 H16 Gd N9 O8 Ru -","- C48 H64 Gd4 N36 O32 Ru4 -","4","1","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0356","0.0276","","","0.0506","0.0526","","","","","","1.112","","","","has coordinates","239770","2020-10-21","18:00:00",""
"4350176","24.791","0.002","6.5425","0.0006","12.4486","0.0012","90","","90","","90","","2019.1","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 N9 Nd O8 Ru -","- C12 H16 N9 Nd O8 Ru -","- C48 H64 N36 Nd4 O32 Ru4 -","4","1","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0242","0.0209","","","0.0448","0.0458","","","","","","1.085","","","","has coordinates","239770","2020-10-21","18:00:00",""
"4350177","24.791","0.002","6.5425","0.0006","12.4486","0.0012","90","","90","","90","","2019.1","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 N9 O8 Ru Sm -","- C12 H16 N9 O8 Ru Sm -","- C48 H64 N36 O32 Ru4 Sm4 -","4","1","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0287","0.0243","","","0.0505","0.0519","","","","","","1.014","","","","has coordinates","239770","2020-10-21","18:00:00",""
"4350178","12.3768","0.0011","13.1438","0.0012","14.3078","0.0013","81.532","0.002","77.86","0.002","89.426","0.002","2250.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H38 N18 O19 Ru2 Yb2 -","- C24 H22 N18 O19 Ru2 Yb2 -","- C48 H44 N36 O38 Ru4 Yb4 -","2","1","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0672","0.0436","","","0.103","0.1133","","","","","","1.049","","","","has coordinates,has disorder","239770","2020-10-21","18:00:00",""
"4350179","20.268","0.013","6.393","0.004","28.096","0.018","90","","107.944","0.011","90","","3463","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H32 N14 O19 Ru2 Sm2 -","- C16 H26 N14 O19 Ru2 Sm2 -","- C64 H104 N56 O76 Ru8 Sm8 -","4","0.5","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0414","0.0321","","","0.0741","0.0779","","","","","","1.062","","","","has coordinates","239770","2020-10-21","18:00:00",""
"4350180","25.1267","0.0014","22.1514","0.0011","13.6062","0.0011","90","","90","","90","","7573.1","0.8","123","2","150","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C16 H37 Gd1.5 N12.5 O17 Ru2 -","- C16 H6 Gd1.5 N12.5 O17 Ru2 -","- C128 H48 Gd12 N100 O136 Ru16 -","8","1","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0487","0.0377","","","0.0892","0.0951","","","","","","1.007","","","","has coordinates,has disorder","239770","2020-10-21","18:00:00",""
"4350181","20.352","0.004","6.4118","0.0013","28.182","0.006","90","","107.95","0.03","90","","3498.6","1.4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H32 N14 Nd2 O19 Ru2 -","- C16 H26 N14 Nd2 O19 Ru2 -","- C64 H104 N56 Nd8 O76 Ru8 -","4","0.5","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0393","0.0295","","","0.0651","0.087","","","","","","1.124","","","","has coordinates","239770","2020-10-21","18:00:00",""
"4350182","24.9856","0.0006","21.9719","0.0005","13.483","0.0003","90","","90","","90","","7401.9","0.3","150","2","150","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C16 H36 N12.5 O16.5 Ru2 Yb1.5 -","- C16 H6 N12.5 O16.5 Ru2 Yb1.5 -","- C128 H48 N100 O132 Ru16 Yb12 -","8","1","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0362","0.0291","","","0.0676","0.0705","","","","","","1.062","","","","has coordinates,has disorder","239770","2020-10-21","18:00:00",""
"4350183","25.16","0.005","22.2","0.004","13.623","0.003","90","","90","","90","","7609","3","273","2","120","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C16 H37 Eu1.5 N12.5 O17 Ru2 -","- C16 H6 Eu1.5 N12.5 O17 Ru2 -","- C128 H48 Eu12 N100 O136 Ru16 -","8","1","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0328","0.0305","","","0.0848","0.0868","","","","","","1.108","","","","has coordinates,has disorder","239770","2020-10-21","18:00:00",""
"4350184","18.088","0.004","5.9662","0.0014","23.981","0.005","90","","110.751","0.003","90","","2420.1","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 N4 O -","- C32 H16 N4 O -","- C128 H64 N16 O4 -","4","1","","Dong, Yu-Bin; Xu, Hong-Xia; Ma, Jian-Ping; Huang, Ru-Qi","Silver(I) coordination polymers based on a nano-sized bent bis(3-acetylenylphenyl-(4-cyanophenyl))oxadiazole ligand: the role of ligand isomerism and the templating effect of polyatomic anions and solvent intermediates.","Inorganic chemistry","2006","45","8","3325","3343","10.1021/ic052158w","","","0.71073","MoKα","","0.06","0.0458","","","0.1089","0.117","","","","","","1.038","","","","has coordinates","239771","2020-10-21","18:00:00",""
"4350185","10.181","0.002","12.826","0.003","17.657","0.004","94.202","0.003","97.789","0.003","110.376","0.003","2123.4","0.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 Ag2 F6 N4 O7 S2 -","- C40 H22 Ag2 F6 N4 O7 S2 -","- C80 H44 Ag4 F12 N8 O14 S4 -","2","1","","Dong, Yu-Bin; Xu, Hong-Xia; Ma, Jian-Ping; Huang, Ru-Qi","Silver(I) coordination polymers based on a nano-sized bent bis(3-acetylenylphenyl-(4-cyanophenyl))oxadiazole ligand: the role of ligand isomerism and the templating effect of polyatomic anions and solvent intermediates.","Inorganic chemistry","2006","45","8","3325","3343","10.1021/ic052158w","","","0.71073","MoKα","","0.1091","0.057","","","0.1332","0.148","","","","","","1","","","","has coordinates","239771","2020-10-21","18:00:00",""
"4350186","10.884","0.0016","13.0047","0.0019","16.524","0.003","104.084","0.002","94.263","0.002","104.432","0.002","2174.2","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 Ag2 F6 N4 O7 S2 -","- C40 H22 Ag2 F6 N4 O7 S2 -","- C80 H44 Ag4 F12 N8 O14 S4 -","2","1","","Dong, Yu-Bin; Xu, Hong-Xia; Ma, Jian-Ping; Huang, Ru-Qi","Silver(I) coordination polymers based on a nano-sized bent bis(3-acetylenylphenyl-(4-cyanophenyl))oxadiazole ligand: the role of ligand isomerism and the templating effect of polyatomic anions and solvent intermediates.","Inorganic chemistry","2006","45","8","3325","3343","10.1021/ic052158w","","","0.71073","MoKα","","0.0754","0.0511","","","0.133","0.1443","","","","","","1.018","","","","has coordinates","239771","2020-10-21","18:00:00",""
"4350187","10.7276","0.0014","12.2969","0.0016","16.825","0.002","111.228","0.002","105.754","0.002","93.779","0.002","1957.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H16 Ag F6 N4 O P -","- C32 H16 Ag F6 N4 O P -","- C64 H32 Ag2 F12 N8 O2 P2 -","2","1","","Dong, Yu-Bin; Xu, Hong-Xia; Ma, Jian-Ping; Huang, Ru-Qi","Silver(I) coordination polymers based on a nano-sized bent bis(3-acetylenylphenyl-(4-cyanophenyl))oxadiazole ligand: the role of ligand isomerism and the templating effect of polyatomic anions and solvent intermediates.","Inorganic chemistry","2006","45","8","3325","3343","10.1021/ic052158w","","","0.71073","MoKα","","0.1153","0.0817","","","0.2159","0.2331","","","","","","1.007","","","","has coordinates,has disorder","239771","2020-10-21","18:00:00",""
"4350188","10.7908","0.0007","12.5144","0.0008","16.8103","0.0011","111.481","0.001","105.95","0.001","93.849","0.001","1995","0.2","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C42 H30 Ag F6 N4 O2 Sb -","- C42 H30 Ag F6 N4 O2 Sb -","- C84 H60 Ag2 F12 N8 O4 Sb2 -","2","2","","Dong, Yu-Bin; Xu, Hong-Xia; Ma, Jian-Ping; Huang, Ru-Qi","Silver(I) coordination polymers based on a nano-sized bent bis(3-acetylenylphenyl-(4-cyanophenyl))oxadiazole ligand: the role of ligand isomerism and the templating effect of polyatomic anions and solvent intermediates.","Inorganic chemistry","2006","45","8","3325","3343","10.1021/ic052158w","","","0.71073","MoKα","","0.0589","0.0429","","","0.0998","0.1085","","","","","","1.02","","","","has coordinates","239771","2020-10-21","18:00:00",""
"4350189","10.2064","0.0019","12.622","0.002","17.865","0.003","72.553","0.003","82.615","0.003","71.626","0.003","2082.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H31 Ag Cl N4 O5 -","- C47 H31 Ag Cl N4 O5 -","- C94 H62 Ag2 Cl2 N8 O10 -","2","1","","Dong, Yu-Bin; Xu, Hong-Xia; Ma, Jian-Ping; Huang, Ru-Qi","Silver(I) coordination polymers based on a nano-sized bent bis(3-acetylenylphenyl-(4-cyanophenyl))oxadiazole ligand: the role of ligand isomerism and the templating effect of polyatomic anions and solvent intermediates.","Inorganic chemistry","2006","45","8","3325","3343","10.1021/ic052158w","","","0.71073","MoKα","","0.1012","0.0564","","","0.1163","0.1289","","","","","","0.991","","","","has coordinates,has disorder","239771","2020-10-21","18:00:00",""
"4350190","19.008","0.003","24.794","0.004","34.955","0.006","90","","90","","90","","16474","5","293","2","293","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C47 H31 Ag B F4 N4 O -","- C47 H31 Ag B F4 N4 O -","- C752 H496 Ag16 B16 F64 N64 O16 -","16","0.5","","Dong, Yu-Bin; Xu, Hong-Xia; Ma, Jian-Ping; Huang, Ru-Qi","Silver(I) coordination polymers based on a nano-sized bent bis(3-acetylenylphenyl-(4-cyanophenyl))oxadiazole ligand: the role of ligand isomerism and the templating effect of polyatomic anions and solvent intermediates.","Inorganic chemistry","2006","45","8","3325","3343","10.1021/ic052158w","","","0.71073","MoKα","","0.1137","0.0593","","","0.1355","0.1524","","","","","","0.952","","","","has coordinates","239771","2020-10-21","18:00:00",""
"4350191","23.124","0.002","37.368","0.005","19.18","0.002","90","","90","","90","","16573","3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C32 H16 Ag F6 N4 O Sb -","- C32 H16 Ag F6 N4 O Sb -","- C512 H256 Ag16 F96 N64 O16 Sb16 -","16","1","","Dong, Yu-Bin; Xu, Hong-Xia; Ma, Jian-Ping; Huang, Ru-Qi","Silver(I) coordination polymers based on a nano-sized bent bis(3-acetylenylphenyl-(4-cyanophenyl))oxadiazole ligand: the role of ligand isomerism and the templating effect of polyatomic anions and solvent intermediates.","Inorganic chemistry","2006","45","8","3325","3343","10.1021/ic052158w","","","0.71073","MoKα","","0.0896","0.0634","","","0.1442","0.1549","","","","","","1","","","","has coordinates","239771","2020-10-21","18:00:00",""
"4350192","19.328","0.004","23.253","0.005","19.734","0.004","90","","118.073","0.004","90","","7826","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H24 Ag Cl N4 O5 -","- C39 H24 Ag Cl N4 O5 -","- C312 H192 Ag8 Cl8 N32 O40 -","8","1","","Dong, Yu-Bin; Xu, Hong-Xia; Ma, Jian-Ping; Huang, Ru-Qi","Silver(I) coordination polymers based on a nano-sized bent bis(3-acetylenylphenyl-(4-cyanophenyl))oxadiazole ligand: the role of ligand isomerism and the templating effect of polyatomic anions and solvent intermediates.","Inorganic chemistry","2006","45","8","3325","3343","10.1021/ic052158w","","","0.71073","MoKα","","0.1835","0.0993","","","0.2138","0.2466","","","","","","1.055","","","","has coordinates","239771","2020-10-21","18:00:00",""
"4350193","11.2216","0.0011","11.5117","0.0011","21.55","0.002","90","","90.969","0.002","90","","2783.4","0.5","100","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Cl N7 O9 -","- C27 H28 Cl N7 O9 -","- C108 H112 Cl4 N28 O36 -","4","1","","Lakshminarayanan, P. S.; Suresh, Eringathodi; Ghosh, Pradyut","Synthesis and characterization of a tripodal amide ligand and its binding with anions of different dimensionality.","Inorganic chemistry","2006","45","11","4372","4380","10.1021/ic052159o","","","0.71073","MoKα","","0.1014","0.0637","","","0.1214","0.1354","","","","","","1.022","","","","has coordinates","239772","2020-10-21","18:00:00",""
"4350194","8.603","0.0008","11.3256","0.0011","15.627","0.0015","69.932","0.001","83.523","0.002","76.401","0.002","1389.2","0.2","293","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Br N7 O9 -","- C27 H28 Br N7 O9 -","- C54 H56 Br2 N14 O18 -","2","1","","Lakshminarayanan, P. S.; Suresh, Eringathodi; Ghosh, Pradyut","Synthesis and characterization of a tripodal amide ligand and its binding with anions of different dimensionality.","Inorganic chemistry","2006","45","11","4372","4380","10.1021/ic052159o","","","0.71073","MoKα","","0.0569","0.0435","","","0.1047","0.1265","","","","","","1.095","","","","has coordinates","239773","2020-10-21","18:00:00",""
"4350195","8.4898","0.0009","11.3902","0.0011","16.0933","0.0016","73.175","0.002","84.043","0.002","78.113","0.002","1456","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cl N7 O13 -","- C27 H28 Cl N7 O13 -","- C54 H56 Cl2 N14 O26 -","2","1","","Lakshminarayanan, P. S.; Suresh, Eringathodi; Ghosh, Pradyut","Synthesis and characterization of a tripodal amide ligand and its binding with anions of different dimensionality.","Inorganic chemistry","2006","45","11","4372","4380","10.1021/ic052159o","","","0.71073","MoKα","","0.0725","0.0537","","","0.1329","0.1605","","","","","","1.06","","","","has coordinates","239774","2020-10-21","18:00:00",""
"4350196","32.36","0.002","11.8115","0.0008","15.2928","0.001","90","","93.122","0.001","90","","5836.5","0.7","100","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 F3 N7 O9.5 Si0.5 -","- C27 H29 F3 N7 O9.5 Si0.5 -","- C216 H232 F24 N56 O76 Si4 -","8","1","","Lakshminarayanan, P. S.; Suresh, Eringathodi; Ghosh, Pradyut","Synthesis and characterization of a tripodal amide ligand and its binding with anions of different dimensionality.","Inorganic chemistry","2006","45","11","4372","4380","10.1021/ic052159o","","","0.71073","MoKα","","0.0681","0.0499","","","0.1177","0.1324","","","","","","1.075","","","","has coordinates","239775","2020-10-21","18:00:00",""
"4350197","8.9077","0.0007","11.3308","0.001","15.506","0.0013","71.749","0.001","80.784","0.002","74.304","0.002","1426","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N8 O12 -","- C27 H28 N8 O12 -","- C54 H56 N16 O24 -","2","1","","Lakshminarayanan, P. S.; Suresh, Eringathodi; Ghosh, Pradyut","Synthesis and characterization of a tripodal amide ligand and its binding with anions of different dimensionality.","Inorganic chemistry","2006","45","11","4372","4380","10.1021/ic052159o","","","0.71073","MoKα","","0.0564","0.0461","","","0.1165","0.1364","","","","","","1.066","","","","has coordinates","239776","2020-10-21","18:00:00",""
"4350198","12.3801","0.001","8.3607","0.0007","26.698","0.002","90","","100.044","0.002","90","","2721.1","0.4","273","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N7 O9 -","- C27 H27 N7 O9 -","- C108 H108 N28 O36 -","4","1","","Lakshminarayanan, P. S.; Suresh, Eringathodi; Ghosh, Pradyut","Synthesis and characterization of a tripodal amide ligand and its binding with anions of different dimensionality.","Inorganic chemistry","2006","45","11","4372","4380","10.1021/ic052159o","","","0.71073","MoKα","","0.0579","0.0453","","","0.1172","0.1243","","","","","","1.064","","","","has coordinates","239777","2020-10-21","18:00:00",""
"4350199","12.9701","0.0013","13.8213","0.0014","16.7944","0.0017","68.579","0.002","82.519","0.002","66.935","0.002","2578.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H41 Cl N7 O2.5 Ru2 -","- C49 H41 Cl N7 O2.5 Ru2 -","- C98 H82 Cl2 N14 O5 Ru4 -","2","1","","Barral, M. Carmen; Gallo, Teresa; Herrero, Santiago; Jiménez-Aparicio, Reyes; Torres, M. Rosario; Urbanos, Francisco A.","Equatorially connected diruthenium(II,III) units toward paramagnetic supramolecular structures with singular magnetic properties.","Inorganic chemistry","2006","45","9","3639","3647","10.1021/ic052174t","","","0.71073","MoKα","","0.1173","0.0664","","","0.2297","0.2547","","","","","","1.086","","","","has coordinates","239779","2020-10-21","18:00:00",""
"4350200","13.3142","0.0017","14.4645","0.0019","14.967","0.002","94.827","0.002","115.42","0.002","114.495","0.002","2245.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H37 Cl N6 O5.5 Ru2 -","- C42 H37 Cl N6 O5.5 Ru2 -","- C84 H74 Cl2 N12 O11 Ru4 -","2","1","","Barral, M. Carmen; Gallo, Teresa; Herrero, Santiago; Jiménez-Aparicio, Reyes; Torres, M. Rosario; Urbanos, Francisco A.","Equatorially connected diruthenium(II,III) units toward paramagnetic supramolecular structures with singular magnetic properties.","Inorganic chemistry","2006","45","9","3639","3647","10.1021/ic052174t","","","0.71073","MoKα","","0.0994","0.0553","","","0.1671","0.1923","","","","","","1.012","","","","has coordinates","239779","2020-10-21","18:00:00",""
"4350201","15.74","0.003","21.911","0.004","22.556","0.004","90","","97.912","0.002","90","","7705","2","223.2","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C75 H122 N Na O9 Ru2 -","- C75 H122 N Na O9 Ru2 -","- C300 H488 N4 Na4 O36 Ru8 -","4","1","","Mochizuki, Katsunori; Kawamura, Takashi; Chang, Ho-Chol; Kitagawa, Susumu","Structural and spectroscopic characterization of a diruthenium o-dioxolene complex possessing a singly occupied molecular orbital delocalized over the entire molecule, [Ru2(3,6-DTBDiox)4]-.","Inorganic chemistry","2006","45","10","3990","3997","10.1021/ic052180p","","","0.7107","MoKα","","","0.0315","","","","0.04","","","","","","0.943","","","","has coordinates","239780","2020-10-21","18:00:00",""
"4350202","13.01","0.0005","13.01","0.0005","45.73","0.002","90","","90","","90","","7740.3","0.5","223.2","","","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C75 H122 N O9 Ru2 -","- C75 H122 N O9 Ru2 -","- C300 H488 N4 O36 Ru8 -","4","0.5","","Mochizuki, Katsunori; Kawamura, Takashi; Chang, Ho-Chol; Kitagawa, Susumu","Structural and spectroscopic characterization of a diruthenium o-dioxolene complex possessing a singly occupied molecular orbital delocalized over the entire molecule, [Ru2(3,6-DTBDiox)4]-.","Inorganic chemistry","2006","45","10","3990","3997","10.1021/ic052180p","","","0.7107","MoKα","","","0.032","","","","0.0434","","","","","","1.086","","","","has coordinates","239780","2020-10-21","18:00:00",""
"4350203","32.037","0.003","21.782","0.002","22.351","0.002","90","","134.204","0.002","90","","11181","1.8","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H71 B O P6 Pd S4 W3 -","- C43 H68 B O P6 Pd S4 W3 -","- C344 H544 B8 O8 P48 Pd8 S32 W24 -","8","1","","Algarra, Andrés G; Basallote, Manuel G.; Feliz, Marta; Fernandez-Trujillo, M Jesús; Guillamón, Eva; Llusar, Rosa; Vicent, Cristian","Synthesis of the novel [W3PdS4H3(dmpe)3(CO)]+ cubane cluster and kinetic studies on the substitution of coordinated hydrides in acidic media.","Inorganic chemistry","2006","45","14","5576","5584","10.1021/ic052184u","","","0.71073","MoKα","","0.1197","0.0489","","","0.0949","0.1162","","","","","","1.028","","","","has coordinates","239781","2020-10-21","18:00:00",""
"4350204","20.2439","0.0015","19.7769","0.0014","10.1528","0.0007","90","","91.651","0.002","90","","4063.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Fe(OEP)(1,2-Me2Im)]","","","- C47.76 H59.72 Fe N6 -","- C47.586 H59.448 Fe N5.931 -","- C190.344 H237.792 Fe4 N23.724 -","4","1","","Hu, Chuanjiang; An, Jin; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert","Electronic configuration of high-spin imidazole-ligated iron(II) octaethylporphyrinates.","Inorganic chemistry","2006","45","10","4177","4185","10.1021/ic052194v","","","0.71073","MoKα","","0.075","0.06","","","0.1556","0.164","","","","","","1.05","","","","has coordinates,has disorder","239782","2020-10-21","18:00:00",""
"4350205","12.6335","0.0006","12.9323","0.0006","13.547","0.0007","82.285","0.002","75.039","0.002","71.063","0.002","2019.47","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[Fe(OEP)(2-MeHIm)]","","","- C47 H58 Fe N6 -","- C47 H58 Fe N6 -","- C94 H116 Fe2 N12 -","2","1","","Hu, Chuanjiang; An, Jin; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert","Electronic configuration of high-spin imidazole-ligated iron(II) octaethylporphyrinates.","Inorganic chemistry","2006","45","10","4177","4185","10.1021/ic052194v","","","0.71073","MoKα","","0.059","0.0467","","","0.1294","0.1409","","","","","","1.081","","","","has coordinates,has disorder","239783","2020-10-21","18:00:00",""
"4350206","11.512","0.002","13.674","0.008","18.773","0.003","90","","103.8","0.02","90","","2869.9","1.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H56 Cl Cu4 N14 Na O11 -","- C27 H27 Cl Cu2 N7 Na0.5 O7 -","- C108 H108 Cl4 Cu8 N28 Na2 O28 -","4","1","","Nanda, Prasant Kumar; Aromí, Guillem; Ray, Debashis","[NaCu(II)4] cluster from alkali template assembly of two asymmetric end-on azido-bridged [Cu(II)2] units.","Inorganic chemistry","2006","45","8","3143","3145","10.1021/ic052209p","","","0.71073","MoKα","","0.266","0.087","","","0.1941","0.2588","","","","","","0.971","","","","has coordinates","239784","2020-10-21","18:00:00",""
"4350207","13.3278","0.0002","35.8714","0.0006","13.5384","0.0003","90","","89.9603","0.0007","90","","6472.5","0.2","150","1","150","1","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H88 N10 O24 P2 Y2 -","- C47 H76 N10 O24 P2 Y2 -","- C188 H304 N40 O96 P8 Y8 -","4","1","","Kotek, Jan; Rudovský, Jakub; Hermann, Petr; Lukes, Ivan","Three in one: TSA, TSA', and SA units in one crystal structure of a yttrium(III) complex with a monophosphinated H4dota analogue.","Inorganic chemistry","2006","45","7","3097","3102","10.1021/ic060006a","","","0.71073","MoKα","","0.0805","0.0594","","","0.1504","0.1614","","","","","","1.1","","","","has coordinates,has disorder","239785","2020-10-21","18:00:00",""
"4350208","13.6311","0.0006","15.3318","0.0007","17.3877","0.0008","109.945","0.001","98.922","0.001","94.224","0.001","3343.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H113.5 Cl Co2 N14.5 O4.5 -","- C55 H112 Cl Co2 N14.5 O4.5 -","- C110 H224 Cl2 Co4 N29 O9 -","2","1","","Zinn, Paul J.; Powell, Douglas R.; Day, Victor W.; Hendrich, Michael P.; Sorrell, Thomas N.; Borovik, A. S.","Pyrazolate-bridging dinucleating ligands containing hydrogen-bond donors: synthesis and structure of their cobalt analogues.","Inorganic chemistry","2006","45","9","3484","3486","10.1021/ic060009n","","","0.71073","MoKα","","0.049","0.038","","","0.1019","0.1056","","","","","","0.977","","","","has coordinates","239786","2020-10-21","18:00:00",""
"4350209","15.293","0.003","22.333","0.004","21.971","0.004","90","","99.132","0.005","90","","7409","2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61 H126 Cl Co2 N15 O5 -","- C61 H126 Cl Co2 N15 O5 -","- C244 H504 Cl4 Co8 N60 O20 -","4","2","","Zinn, Paul J.; Powell, Douglas R.; Day, Victor W.; Hendrich, Michael P.; Sorrell, Thomas N.; Borovik, A. S.","Pyrazolate-bridging dinucleating ligands containing hydrogen-bond donors: synthesis and structure of their cobalt analogues.","Inorganic chemistry","2006","45","9","3484","3486","10.1021/ic060009n","","","0.71073","MoKα","","0.1347","0.0615","","","0.1062","0.1218","","","","","","0.752","","","","has coordinates","244972","2020-10-21","18:00:00",""
"4350210","9.829","0.001","22.615","0.001","10.618","0.001","90","","117.474","0.005","90","","2094","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 N4 Pt2 -","- C42 H68 N4 Pt2 -","- C84 H136 N8 Pt4 -","2","0.5","","Taquet, Jean-Philippe; Siri, Olivier; Braunstein, Pierre; Welter, Richard","Dinuclear nickel and palladium complexes with bridging 2,5-diamino-1,4-benzoquinonediimines: synthesis, structures, and catalytic oligomerization of ethylene.","Inorganic chemistry","2006","45","12","4668","4676","10.1021/ic060019o","","","0.71073","Mo-Kα","","0.086","0.048","","0.168","","0.072","","","1.431","","","1.354","","","","has coordinates","239787","2020-10-21","18:00:00",""
"4350211","9.647","0.001","10.521","0.001","11.155","0.001","62.43","0.05","88.13","0.05","76.5","0.05","972.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H60 N4 O4 Pd2 -","- C36 H60 N4 O4 Pd2 -","- C36 H60 N4 O4 Pd2 -","1","0.5","","Taquet, Jean-Philippe; Siri, Olivier; Braunstein, Pierre; Welter, Richard","Dinuclear nickel and palladium complexes with bridging 2,5-diamino-1,4-benzoquinonediimines: synthesis, structures, and catalytic oligomerization of ethylene.","Inorganic chemistry","2006","45","12","4668","4676","10.1021/ic060019o","","","0.71069","MoKα","","0.0695","0.0424","","","0.0877","0.0989","","","","","","0.792","","","","has coordinates","239789","2020-10-21","18:00:00",""
"4350212","8.348","0.001","11.403","0.002","11.905","0.002","95.18","0.05","110.25","0.05","111.35","0.05","959.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 N4 Ni2 O4 -","- C44 H44 N4 Ni2 O4 -","- C44 H44 N4 Ni2 O4 -","1","0.5","","Taquet, Jean-Philippe; Siri, Olivier; Braunstein, Pierre; Welter, Richard","Dinuclear nickel and palladium complexes with bridging 2,5-diamino-1,4-benzoquinonediimines: synthesis, structures, and catalytic oligomerization of ethylene.","Inorganic chemistry","2006","45","12","4668","4676","10.1021/ic060019o","","","0.71069","MoKα","","0.1101","0.0644","","","0.1123","0.1263","","","","","","1.041","","","","has coordinates","239790","2020-10-21","18:00:00",""
"4350213","8.4679","0.0003","14.0642","0.0006","25.137","0.001","90","","90","","90","","2993.7","0.2","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(PaPy3)Fe(CO)](ClO4).4MeOH","","","- C25 H36 Cl Fe N5 O10 -","- C25 H35 Cl Fe N5 O10 -","- C100 H140 Cl4 Fe4 N20 O40 -","4","1","","Afshar, Raman K.; Patra, Apurba K.; Bill, Eckhard; Olmstead, Marilyn M.; Mascharak, Pradip K.","Synthesis, structure, and properties of an Fe(II) carbonyl [(PaPy3)Fe(CO)](ClO4): insight into the reactivity of Fe(II)-CO and Fe(II)-NO moieties in non-heme iron chelates of N-donor ligands.","Inorganic chemistry","2006","45","9","3774","3781","10.1021/ic060020n","","","0.71073","MoKα","","0.0556","0.0397","","","0.091","0.1009","","","","","","1.052","","","","has coordinates,has disorder","239791","2020-10-21","18:00:00",""
"4350214","15.8628","0.0018","11.9594","0.0008","21.3058","0.0015","90","","90","","90","","4041.9","0.6","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C30 H26 As2 Mn3 N6 O S8 -","- C30 H24 As2 Mn3 N6 O S8 -","- C120 H96 As8 Mn12 N24 O4 S32 -","4","0.5","","Fu, Ming-Lai; Guo, Guo-Cong; Liu, Xi; Chen, Wen-Tong; Liu, Bing; Huang, Jin-Shun","Incorporation of a new type of transition metal complex into the thioarsenate anion: syntheses, structures, and properties of two novel compounds [Mn3(2,2'-bipy)3(AsVS4)2]n.nH2O and Mn2(2,2'-bipy)As2IIIS5.","Inorganic chemistry","2006","45","15","5793","5798","10.1021/ic0600228","","","0.71073","MoKα","","0.0529","0.0497","","","0.129","0.1316","","","","","","1.044","","","","has coordinates","239792","2020-10-21","18:00:00",""
"4350215","11.198","0.002","12.228","0.002","12.3655","0.0019","90","","105.71","0.002","90","","1629.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 As2 Mn2 N2 S5 -","- C10 H8 As2 Mn2 N2 S5 -","- C40 H32 As8 Mn8 N8 S20 -","4","1","","Fu, Ming-Lai; Guo, Guo-Cong; Liu, Xi; Chen, Wen-Tong; Liu, Bing; Huang, Jin-Shun","Incorporation of a new type of transition metal complex into the thioarsenate anion: syntheses, structures, and properties of two novel compounds [Mn3(2,2'-bipy)3(AsVS4)2]n.nH2O and Mn2(2,2'-bipy)As2IIIS5.","Inorganic chemistry","2006","45","15","5793","5798","10.1021/ic0600228","","","0.71073","MoKα","","0.0747","0.0427","","","0.0766","0.0864","","","","","","1.008","","","","has coordinates","239793","2020-10-21","18:00:00",""
"4350216","15.4329","0.0007","9.9712","0.0004","15.4584","0.0006","90","","97.763","0.002","90","","2357.01","0.17","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cu N2 O8 -","- C26 H22 Cu N2 O8 -","- C104 H88 Cu4 N8 O32 -","4","0.5","","Yamada, Koichi; Tanaka, Hirokazu; Yagishita, Sadahiro; Adachi, Keiichi; Uemura, Takashi; Kitagawa, Susumu; Kawata, Satoshi","Stepwise guest adsorption with large hysteresis in a coordination polymer {[Cu(bhnq)(THF)2](THF)}n constructed from a flexible hingelike ligand.","Inorganic chemistry","2006","45","11","4322","4324","10.1021/ic060046e","","","0.71069","MoKα","","0.0652","0.0429","","","0.1136","0.119","","","","","","1.005","","","","has coordinates","239794","2020-10-21","18:00:00",""
"4350217","4.6664","0.0008","24.167","0.005","14.22","0.003","90","","95.926","0.008","90","","1595.1","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","H4(3-OH-salamo) H2O","","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C64 H72 N8 O28 -","4","1","","Akine, Shigehisa; Dong, Wenkui; Nabeshima, Tatsuya","Octanuclear zinc(II) and cobalt(II) clusters produced by cooperative tetrameric assembling of oxime chelate ligands.","Inorganic chemistry","2006","45","12","4677","4684","10.1021/ic060055n","","","0.71069","MoKα","","0.1287","0.091","","","0.2189","0.2425","","","","","","1.029","","","","has coordinates","239795","2020-10-21","18:00:00",""
"4350218","18.233","0.01","20.518","0.011","21.366","0.011","98.7557","0.0002","99.191","0.011","108.309","0.01","7314","7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","[L4Zn8(H2O)3] 4.5H2O","","","- C64 H63 N8 O31.5 Zn8 -","- C64 H54 N8 O31.5 Zn8 -","- C256 H216 N32 O126 Zn32 -","4","2","","Akine, Shigehisa; Dong, Wenkui; Nabeshima, Tatsuya","Octanuclear zinc(II) and cobalt(II) clusters produced by cooperative tetrameric assembling of oxime chelate ligands.","Inorganic chemistry","2006","45","12","4677","4684","10.1021/ic060055n","","","0.71069","MoKα","","0.2039","0.089","","","0.1888","0.2354","","","","","","1.064","","","","has coordinates","239795","2020-10-21","18:00:00",""
"4350219","15.2359","0.001","16.9625","0.0012","18.9325","0.0013","101.971","0.001","105.541","0.001","97.129","0.001","4526.9","0.5","90","2","90","","","","","","","","","6","P -1","-P 1","2","[L4Co8(H2O)3]","","","- C72.5 H75.5 Cl4.5 Co8 N8 O29 -","- C72.5 H72 Cl4.5 Co8 N8 O29 -","- C145 H144 Cl9 Co16 N16 O58 -","2","1","","Akine, Shigehisa; Dong, Wenkui; Nabeshima, Tatsuya","Octanuclear zinc(II) and cobalt(II) clusters produced by cooperative tetrameric assembling of oxime chelate ligands.","Inorganic chemistry","2006","45","12","4677","4684","10.1021/ic060055n","","","0.71069","MoKα","","0.0934","0.0602","","","0.1673","0.1945","","","","","","1.031","","","","has coordinates,has disorder","239795","2020-10-21","18:00:00",""
"4350220","10.983","0.004","21.099","0.006","28.304","0.01","90","","100.955","0.012","90","","6439","4","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H72 F8 N4 O5 S2 Zn2 -","- C66 H72 F8 N4 O5 S2 Zn2 -","- C264 H288 F32 N16 O20 S8 Zn8 -","4","1","","Bok, Taekki; Yun, Hoseop; Lee, Bun Yeoul","Bimetallic fluorine-substituted anilido-aldimine zinc complexes for CO2/(cyclohexene oxide) copolymerization.","Inorganic chemistry","2006","45","10","4228","4237","10.1021/ic060060r","","","0.71073","MoKα","","0.2036","0.1041","","","0.2212","0.2742","","","","","","1.004","","","","has coordinates","239796","2020-10-21","18:00:00",""
"4350221","6.341","0.0005","12.2842","0.0011","20.2427","0.0018","90","","90.296","0.002","90","","1576.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N5 S2 -","- C15 H13 N5 S2 -","- C60 H52 N20 S8 -","4","2","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.117","0.0802","","","0.1663","0.186","","","","","","1.052","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4350222","13.953","0.003","4.642","0.001","12.389","0.003","90","","103.55","0.004","90","","780.1","0.3","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C32 H28 N8 S4 -","2","1","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0601","0.0562","","","0.1417","0.1497","","","","","","1.128","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350223","12.0861","0.0008","4.6576","0.0003","27.9405","0.0018","90","","102.513","0.001","90","","1535.47","0.17","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C64 H56 N16 S8 -","4","1","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0541","0.0478","","","0.1168","0.127","","","","","","1.109","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350224","13.2104","0.001","9.9479","0.0008","15.2018","0.0011","90","","95.757","0.001","90","","1987.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Cu4 I4 N10 S4 -","- C30 H26 Cu4 I4 N10 S4 -","- C60 H52 Cu8 I8 N20 S8 -","2","0.5","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0569","0.0414","","","0.0935","0.1002","","","","","","1.029","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350225","13.1282","0.0009","9.7714","0.0007","14.8445","0.001","90","","95.552","0.001","90","","1895.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Br4 Cu4 N10 S4 -","- C30 H26 Br4 Cu4 N10 S4 -","- C60 H52 Br8 Cu8 N20 S8 -","2","0.5","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0585","0.0406","","","0.0889","0.0956","","","","","","1.046","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350226","11.5768","0.0006","12.7908","0.0006","15.2079","0.0007","99.393","0.001","101.457","0.001","109.878","0.001","2009.47","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H31 Cu2 I2 N9 S4 -","- C34 H31 Cu2 I2 N9 S4 -","- C68 H62 Cu4 I4 N18 S8 -","2","1","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0364","0.0304","","","0.0793","0.0872","","","","","","1.084","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350227","29.755","0.002","13.4624","0.0009","8.9729","0.0006","90","","99.333","0.002","90","","3546.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cu I N4 S2 -","- C16 H14 Cu I N4 S2 -","- C128 H112 Cu8 I8 N32 S16 -","8","1","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0438","0.0339","","","0.0816","0.0962","","","","","","1.114","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350228","29.83","0.003","13.1418","0.0011","8.784","0.0007","90","","98.868","0.002","90","","3402.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Br Cu N4 S2 -","- C16 H14 Br Cu N4 S2 -","- C128 H112 Br8 Cu8 N32 S16 -","8","1","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0351","0.0281","","","0.0671","0.0699","","","","","","1.022","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350229","14.056","0.0012","4.8159","0.0004","12.5757","0.0011","90","","90","","90","","851.28","0.13","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C17 H14 Cu N5 S2 -","- C17 H14 Cu N5 S2 -","- C34 H28 Cu2 N10 S4 -","2","0.5","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0629","0.0592","","","0.1883","0.1999","","","","","","1.217","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350230","12.3143","0.0011","4.8205","0.0004","28.265","0.003","90","","90","","90","","1677.8","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H14 Cu N5 S2 -","- C17 H14 Cu N5 S2 -","- C68 H56 Cu4 N20 S8 -","4","1","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0624","0.0509","","","0.1135","0.1198","","","","","","1.09","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350231","4.3816","0.0005","16.859","0.0019","13.1538","0.0014","90","","93.384","0.002","90","","969.97","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cu I N2 S -","- C8 H7 Cu I N2 S -","- C32 H28 Cu4 I4 N8 S4 -","4","1","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0389","0.0322","","","0.0768","0.0798","","","","","","1.057","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350232","11.7761","0.0014","17.229","0.002","10.4611","0.0013","90","","97.777","0.002","90","","2102.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cu2 N6 S4 -","- C18 H14 Cu2 N6 S4 -","- C72 H56 Cu8 N24 S16 -","4","0.5","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0495","0.0392","","","0.0892","0.0986","","","","","","1.057","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350233","13.5662","0.0007","13.5662","0.0007","20.1867","0.0011","90","","90","","120","","3217.5","0.3","293","2","293","2","","","","","","","","9","P 63","P 6c","173","","","","- C48 H44 B Cu6 F4 I5 N12 O S6 -","- C48 H42 B Cu6 F4 I5 N12 O S6 -","- C96 H84 B2 Cu12 F8 I10 N24 O2 S12 -","2","0.333333","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.70173","MoKα","","0.0375","0.0335","","","0.0915","0.1001","","","","","","1.143","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350234","29.602","0.004","31.335","0.005","27.502","0.003","90","","91.265","0.01","90","","25504","6","140","2","140","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C176 H269 Eu9 N32 Na6 O111 P16 -","- C176 H144 Eu9 N32 Na6 O111 P16 -","- C704 H576 Eu36 N128 Na24 O444 P64 -","4","0.5","","Comby, Steve; Scopelliti, Rosario; Imbert, Daniel; Charbonnière, Loïc; Ziessel, Raymond; Bünzli, Jean-Claude G","Dual emission from luminescent nonalanthanide clusters.","Inorganic chemistry","2006","45","8","3158","3160","10.1021/ic060080t","","","0.7107","MoKα","","0.128","0.0839","","","0.2274","0.2665","","","","","","1.015","","","","has coordinates,has disorder","239798","2020-10-21","18:00:00",""
"4350235","8.6953","0.0006","9.3235","0.001","20.24","0.002","78.63","0.09","78.282","0.007","87.78","0.007","1575.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 B2 Co F8 N6 O3 -","- C30 H20 B2 Co F8 N6 O3 -","- C60 H40 B4 Co2 F16 N12 O6 -","2","1","","Galet, Ana; Gaspar, Ana Belén; Muñoz, M Carmen; Real, José Antonio","Influence of the counterion and the solvent molecules in the spin crossover system [Co(4-terpyridone)2]Xp.nH2O.","Inorganic chemistry","2006","45","11","4413","4422","10.1021/ic060090u","","","0.71073","MoKα","","0.2151","0.095","","","0.2185","0.2677","","","","","","1.01","","","","has coordinates","239799","2020-10-21","18:00:00",""
"4350236","8.777","0.0002","22.179","0.0004","18.497","0.0004","90","","91.848","0.001","90","","3598.85","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Co F6 N6 O6 Si -","- C33 H20 Co F6 N6 O6 Si -","- C132 H80 Co4 F24 N24 O24 Si4 -","4","1","","Galet, Ana; Gaspar, Ana Belén; Muñoz, M Carmen; Real, José Antonio","Influence of the counterion and the solvent molecules in the spin crossover system [Co(4-terpyridone)2]Xp.nH2O.","Inorganic chemistry","2006","45","11","4413","4422","10.1021/ic060090u","","","0.71073","MoKα","","0.146","0.0845","","","0.2163","0.2685","","","","","","0.975","","","","has coordinates","239800","2020-10-21","18:00:00",""
"4350237","11.929","0.0003","19.273","0.0005","18.402","0.0006","90","","114.797","0.001","90","","3840.68","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H24 Co2 N10 O2.5 S4 -","- C34.5 H20 Co2 N10 O2.5 S4 -","- C138 H80 Co8 N40 O10 S16 -","4","1","","Galet, Ana; Gaspar, Ana Belén; Muñoz, M Carmen; Real, José Antonio","Influence of the counterion and the solvent molecules in the spin crossover system [Co(4-terpyridone)2]Xp.nH2O.","Inorganic chemistry","2006","45","11","4413","4422","10.1021/ic060090u","","","0.71073","MoKα","","0.1181","0.0691","","","0.183","0.2184","","","","","","1.013","","","","has coordinates","239801","2020-10-21","18:00:00",""
"4350238","8.885","0.0002","21.96","0.0005","18.753","0.0005","90","","113.334","0.001","90","","3359.72","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Co I2 N6 O7 -","- C30 H20 Co I2 N6 O7 -","- C120 H80 Co4 I8 N24 O28 -","4","1","","Galet, Ana; Gaspar, Ana Belén; Muñoz, M Carmen; Real, José Antonio","Influence of the counterion and the solvent molecules in the spin crossover system [Co(4-terpyridone)2]Xp.nH2O.","Inorganic chemistry","2006","45","11","4413","4422","10.1021/ic060090u","","","0.71073","MoKα","","0.0895","0.0478","","","0.125","0.1592","","","","","","0.878","","","","has coordinates","239802","2020-10-21","18:00:00",""
"4350239","8.656","0.0002","9.043","0.0002","19.846","0.0007","84.561","0.001","87.567","0.001","86.292","0.001","1542.21","0.07","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H26 B Co F7 N6 O3 Si0.5 -","- C31 H20 B Co F7 N6 O3 Si0.5 -","- C62 H40 B2 Co2 F14 N12 O6 Si -","2","1","","Galet, Ana; Gaspar, Ana Belén; Muñoz, M Carmen; Real, José Antonio","Influence of the counterion and the solvent molecules in the spin crossover system [Co(4-terpyridone)2]Xp.nH2O.","Inorganic chemistry","2006","45","11","4413","4422","10.1021/ic060090u","","","0.71073","MoKα","","0.107","0.053","","","0.1252","0.1435","","","","","","1.002","","","","has coordinates","239803","2020-10-21","18:00:00",""
"4350240","8.809","0.0003","9.051","0.0004","20.086","0.0009","90","","99.006","0.0016","90","","1581.72","0.11","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H24 B2 Co F8 N6 O3 -","- C30 H20 B2 Co F8 N6 O3 -","- C60 H40 B4 Co2 F16 N12 O6 -","2","1","","Galet, Ana; Gaspar, Ana Belén; Muñoz, M Carmen; Real, José Antonio","Influence of the counterion and the solvent molecules in the spin crossover system [Co(4-terpyridone)2]Xp.nH2O.","Inorganic chemistry","2006","45","11","4413","4422","10.1021/ic060090u","","","0.71073","MoKα","","0.082","0.0659","","","0.1843","0.2005","","","","","","0.872","","","","has coordinates","239804","2020-10-21","18:00:00",""
"4350241","9.349","0.0002","21.944","0.0005","15.641","0.0003","90","","114.207","0.001","90","","2926.67","0.11","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H42 Co2 F12 N12 O4 P2 -","- C60 H40 Co2 F12 N12 O4 P2 -","- C120 H80 Co4 F24 N24 O8 P4 -","2","0.5","","Galet, Ana; Gaspar, Ana Belén; Muñoz, M Carmen; Real, José Antonio","Influence of the counterion and the solvent molecules in the spin crossover system [Co(4-terpyridone)2]Xp.nH2O.","Inorganic chemistry","2006","45","11","4413","4422","10.1021/ic060090u","","","0.71073","MoKα","","0.1093","0.0488","","","0.1139","0.1463","","","","","","0.891","","","","has coordinates","239805","2020-10-21","18:00:00",""
"4350242","8.547","0.0002","8.957","0.0002","19.726","0.0004","84.299","0.001","86.818","0.001","86.714","0.001","1498.31","0.06","105","2","105","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H26 B Co F7 N6 O3 Si0.5 -","- C31 H20 B Co F7 N6 O3 Si0.5 -","- C62 H40 B2 Co2 F14 N12 O6 Si -","2","1","","Galet, Ana; Gaspar, Ana Belén; Muñoz, M Carmen; Real, José Antonio","Influence of the counterion and the solvent molecules in the spin crossover system [Co(4-terpyridone)2]Xp.nH2O.","Inorganic chemistry","2006","45","11","4413","4422","10.1021/ic060090u","","","0.71073","MoKα","","0.0678","0.0498","","","0.1561","0.194","","","","","","1.005","","","","has coordinates","239806","2020-10-21","18:00:00",""
"4350243","10.83","0.003","11.307","0.003","14.309","0.004","96.65","0.02","105.5","0.02","96.43","0.02","1658.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 Mo O P2 -","- C39 H25 Mo O P2 -","- C78 H50 Mo2 O2 P4 -","2","1","","Cheng, Tan-Yun; Szalda, David J.; Zhang, Jie; Bullock, R. Morris","Synthesis and structure of CpMo(CO)(dppe)H and its oxidation by Ph3C+.","Inorganic chemistry","2006","45","12","4712","4720","10.1021/ic060111k","","","0.71073","MoKα","","0.2393","0.0579","","","0.1196","0.1578","","","","","","0.945","","","","has coordinates","239807","2020-10-21","18:00:00",""
"4350244","10.8724","0.0011","15.6218","0.0017","10.9924","0.0011","90","","100.702","0.002","90","","1834.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tb(BTC)(DMF)(DMSO)","","","- C14 H16 N O8 S Tb -","- C14 H10 N O8 S Tb -","- C56 H40 N4 O32 S4 Tb4 -","4","1","","Guo, Xiaodan; Zhu, Guangshan; Li, Zhongyue; Chen, Yan; Li, Xiaotian; Qiu, Shilun","Rare Earth coordination polymers with zeolite topology constructed from 4-connected building units.","Inorganic chemistry","2006","45","10","4065","4070","10.1021/ic060116h","","","0.71073","MoKα","","0.0702","0.0532","","","0.0937","0.1001","","","","","","1.078","","","","has coordinates","239808","2020-10-21","18:00:00",""
"4350245","10.844","0.002","15.585","0.003","10.961","0.002","90","","100.557","0.004","90","","1821.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ho(BTC)(DMF)(DMSO)","","","- C14 H16 Ho N O8 S -","- C14 H16 Ho N O8 S -","- C56 H64 Ho4 N4 O32 S4 -","4","1","","Guo, Xiaodan; Zhu, Guangshan; Li, Zhongyue; Chen, Yan; Li, Xiaotian; Qiu, Shilun","Rare Earth coordination polymers with zeolite topology constructed from 4-connected building units.","Inorganic chemistry","2006","45","10","4065","4070","10.1021/ic060116h","","","0.71073","MoKα","","0.0506","0.0418","","","0.0837","0.0872","","","","","","1.085","","","","has coordinates","239808","2020-10-21","18:00:00",""
"4350246","10.8158","0.0009","15.5514","0.0013","10.9331","0.0009","90","","100.557","0.002","90","","1807.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tb(BTC)(DMF)(DMSO)","","","- C14 H16 Er N O8 S -","- C14 H16 Er N O8 S -","- C56 H64 Er4 N4 O32 S4 -","4","1","","Guo, Xiaodan; Zhu, Guangshan; Li, Zhongyue; Chen, Yan; Li, Xiaotian; Qiu, Shilun","Rare Earth coordination polymers with zeolite topology constructed from 4-connected building units.","Inorganic chemistry","2006","45","10","4065","4070","10.1021/ic060116h","","","0.71073","MoKα","","0.0644","0.0454","","","0.0722","0.0787","","","","","","1.016","","","","has coordinates","239808","2020-10-21","18:00:00",""
"4350247","10.782","0.002","15.51","0.003","10.881","0.002","90","","100.26","0.03","90","","1790.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Yb(BTC)(DMF)(DMSO)","","","- C14 H16 N O8 S Yb -","- C14 H15 N O8 S Yb -","- C56 H60 N4 O32 S4 Yb4 -","4","1","","Guo, Xiaodan; Zhu, Guangshan; Li, Zhongyue; Chen, Yan; Li, Xiaotian; Qiu, Shilun","Rare Earth coordination polymers with zeolite topology constructed from 4-connected building units.","Inorganic chemistry","2006","45","10","4065","4070","10.1021/ic060116h","","","0.71073","MoKα","","0.0328","0.0239","","","0.0574","0.0602","","","","","","1.054","","","","has coordinates","239808","2020-10-21","18:00:00",""
"4350248","10.8388","0.0012","15.5918","0.0018","10.9421","0.0013","90","","100.513","0.002","90","","1818.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Y(BTC)(DMF)(DMSO)","","","- C14 H16 N O8 S Y -","- C14 H16 N O8 S Y -","- C56 H64 N4 O32 S4 Y4 -","4","1","","Guo, Xiaodan; Zhu, Guangshan; Li, Zhongyue; Chen, Yan; Li, Xiaotian; Qiu, Shilun","Rare Earth coordination polymers with zeolite topology constructed from 4-connected building units.","Inorganic chemistry","2006","45","10","4065","4070","10.1021/ic060116h","","","0.71073","MoKα","","0.0814","0.0523","","","0.0813","0.0876","","","","","","1.007","","","","has coordinates","239808","2020-10-21","18:00:00",""
"4350249","13.063","0.003","11.381","0.003","17.4795","0.0017","90","","104.294","0.012","90","","2518.2","0.9","100","","100","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C52 H40 F6 N4 O8 Ru S2 -","- C52 H40 F6 N4 O8 Ru S2 -","- C104 H80 F12 N8 O16 Ru2 S4 -","2","0.5","","Caspar, Regis; Cordier, Christine; Waern, Jenny B.; Guyard-Duhayon, Carine; Gruselle, Michel; Le Floch, Pascal; Amouri, Hani","A new family of mono- and dicarboxylic ruthenium complexes [Ru(DIP)2(L2)]2+ (DIP = 4,7-diphenyl-1,10-phenanthroline): synthesis, solution behavior, and X-ray molecular structure of trans-[Ru(DIP)2(MeOH)2][OTf]2.","Inorganic chemistry","2006","45","10","4071","4078","10.1021/ic0601236","","","0.71073","MoKα","","0.1065","0.0667","","0.0936","0.0756","0.0756","","","","","","1.1011","","","","has coordinates","239809","2020-10-21","18:00:00",""
"4350250","20.309","0.004","7.6251","0.0015","21.554","0.004","90","","91.78","0.03","90","","3336.2","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 Mn3 N6 O9 -","- C32 H33 Mn3 N6 O9 -","- C128 H132 Mn12 N24 O36 -","4","1","","Tao, Jun; Zhang, Yuan-Zhu; Bai, Yue-Lin; Sato, Osamu","One-dimensional ferromagnetic complexes built with Mn(III)3O units.","Inorganic chemistry","2006","45","13","4877","4879","10.1021/ic060159y","","","0.71073","MoKα","","0.0529","0.0502","","","0.1526","0.1559","","","","","","1.119","","","","has coordinates","239810","2020-10-21","18:00:00",""
"4350251","7.8026","0.0016","24.457","0.005","21.302","0.004","90","","99.23","0.03","90","","4012.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 Mn3 N6 O10 -","- C36 H43 Mn3 N6 O10 -","- C144 H172 Mn12 N24 O40 -","4","1","","Tao, Jun; Zhang, Yuan-Zhu; Bai, Yue-Lin; Sato, Osamu","One-dimensional ferromagnetic complexes built with Mn(III)3O units.","Inorganic chemistry","2006","45","13","4877","4879","10.1021/ic060159y","","","0.71073","MoKα","","0.0694","0.0495","","","0.1259","0.1327","","","","","","1.069","","","","has coordinates","239810","2020-10-21","18:00:00",""
"4350252","10.319","0.0007","18.3198","0.0014","14.6518","0.0011","90","","94.828","0.002","90","","2760","0.4","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Cl2 Fe2 N8 O18 Zn2 -","- C52 H58 Cl2 Fe2 N8 O18 Zn2 -","- C104 H116 Cl4 Fe4 N16 O36 Zn4 -","2","0.5","","Biswas, Papu; Ghosh, Meenakshi; Dutta, Sujit K.; Flörke, Ulrich; Nag, Kamalaksha","Synthesis, reactivities, and magnetostructural properties of FeIII, FeIII-O-FeIII, and ZnIIFeIII-O-FeIIIZnII complexes of a tetraiminodiphenolate macrocycle.","Inorganic chemistry","2006","45","12","4830","4844","10.1021/ic060183b","","","0.71073","MoKα","","0.0794","0.0527","","","0.1115","0.1212","","","","","","0.999","","","","has coordinates,has disorder","239811","2020-10-21","18:00:00",""
"4350253","14.2859","0.0005","19.2184","0.0007","14.7702","0.0005","90","","96.001","0.001","90","","4033","0.2","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H68 Cl2 Fe2 N12 O29 P2 Zn2 -","- C72 H68 Cl2 Fe2 N12 O29 P2 Zn2 -","- C144 H136 Cl4 Fe4 N24 O58 P4 Zn4 -","2","0.5","","Biswas, Papu; Ghosh, Meenakshi; Dutta, Sujit K.; Flörke, Ulrich; Nag, Kamalaksha","Synthesis, reactivities, and magnetostructural properties of FeIII, FeIII-O-FeIII, and ZnIIFeIII-O-FeIIIZnII complexes of a tetraiminodiphenolate macrocycle.","Inorganic chemistry","2006","45","12","4830","4844","10.1021/ic060183b","","","0.71073","MoKα","","0.0732","0.0513","","","0.1248","0.1339","","","","","","0.967","","","","has coordinates,has disorder","239811","2020-10-21","18:00:00",""
"4350254","10.6191","0.0004","19.6384","0.0007","21.9416","0.0008","107.112","0.0014","95.1078","0.0012","94.208","0.0012","4331.9","0.3","120","","120","","","","","","","","Local laboratory","6","P -1","-P 1","2","","Poly[(3,5-Bis(4,4,5,5-tetramethyl-3-oxylimidazoline-1-oxide)phenylethynyl)pyridine)]bis(hexafluoroacetylacetonato)copper(II)","","- C70 H42 Cu3.5 F42 N5 O18 -","- C35 H21 Cu1.75 F21 N2.5 O9 -","- C140 H84 Cu7 F84 N10 O36 -","4","2","","Rajadurai, Chandrasekar; Enkelmann, Volker; Ikorskii, Vladimir; Ovcharenko, Victor I.; Baumgarten, Martin","Metal-biradical chains from a high-spin ligand and bis(hexafluoroacetylacetonato)copper(II).","Inorganic chemistry","2006","45","24","9664","9669","10.1021/ic060197h","","x-ray","0.71073","MoKα","","","0.0719","","","","0.049","","","","","","1.174","","","","has coordinates","239812","2020-10-21","18:00:00",""
"4350255","12.239","0.002","17.819","0.003","34.445","0.007","90","","97.466","0.003","90","","7448","2","158","2","158","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C132 H136 B2 Cl4 N16 O4 Zn3 -","- C130 H132 B2 N16 O4 Zn3 -","- C260 H264 B4 N32 O8 Zn6 -","2","0.5","","Shultz, David A.; Mussari, Christopher P.; Ramanathan, Krishna Kumar; Kampf, Jeff W.","Electron spin-spin exchange coupling mediated by the porphyrin pi system.","Inorganic chemistry","2006","45","15","5752","5759","10.1021/ic060209z","","","0.71073","MoKα","","0.1621","0.0883","","","0.2005","0.2254","","","","","","1.254","","","","has coordinates,has disorder","239813","2020-10-21","18:00:00",""
"4350256","17.8789","0.0006","10.3613","0.0004","20.9762","0.0008","90","","112.294","0.0019","90","","3595.3","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 B2 Mn N6 O8 -","- C30 H52 B2 Mn N6 O8 -","- C120 H208 B8 Mn4 N24 O32 -","4","1","","Hsieh, Wen-Yuan; Liu, Shuang","Novel biscapped and monocapped tris(dioxime) Mn(II) complexes: x-ray crystal structure of the first cationic tris(dioxime) Mn(II) complex [Mn(CDOH)3BPh]OH (CDOH2= 1,2-cyclohexanedione dioxime).","Inorganic chemistry","2006","45","13","5034","5043","10.1021/ic060216n","","","0.71073","MO-Kα","","0.095","0.065","","","0.169","0.19","","","","","","1.029","","","","has coordinates,has disorder","239814","2020-10-21","18:00:00",""
"4350257","12.6712","0.0005","18.2899","0.0004","26.8276","0.0009","90","","90","","90","","6217.4","0.3","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H34 B Cl3 Mn N6 O7 -","- C25 H34 B Cl3 Mn N6 O7 -","- C200 H272 B8 Cl24 Mn8 N48 O56 -","8","1","","Hsieh, Wen-Yuan; Liu, Shuang","Novel biscapped and monocapped tris(dioxime) Mn(II) complexes: x-ray crystal structure of the first cationic tris(dioxime) Mn(II) complex [Mn(CDOH)3BPh]OH (CDOH2= 1,2-cyclohexanedione dioxime).","Inorganic chemistry","2006","45","13","5034","5043","10.1021/ic060216n","","","0.71073","MO-Kα","","0.07","0.048","","","0.123","0.136","","","","","","1.039","","","","has coordinates","239815","2020-10-21","18:00:00",""
"4350258","12.6292","0.0007","8.1826","0.0004","15.5387","0.0009","90","","98.459","0.002","90","","1588.3","0.15","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl2 N2 O2 Ru S2 -","- C10 H20 Cl2 N2 O2 Ru S2 -","- C40 H80 Cl8 N8 O8 Ru4 S8 -","4","1","","Rusanova, Julia; Rusanov, Eduard; Gorelsky, S. I.; Christendat, Dharamdat; Popescu, Raluca; Farah, Abdiaziz A.; Beaulac, Rémi; Reber, Christian; Lever, A. B. P.","The very covalent diammino(o-benzoquinonediimine) dichlororuthenium(II). An example of very strong pi-back-donation.","Inorganic chemistry","2006","45","16","6246","6262","10.1021/ic060220z","","","0.71073","MoKα","","0.0619","0.0413","","","0.093","0.1013","","","","","","1.041","","","","has coordinates","239816","2020-10-21","18:00:00",""
"4350259","9.3394","0.0002","14.1908","0.0003","15.6207","0.0003","69.626","0.008","71.699","0.008","86.12","0.01","1840.57","0.15","173.2","","173.2","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 F2 P -","- C22 H19 F2 P -","- C88 H76 F8 P4 -","4","2","","Yam, Mandy; Chong, Jonathan H.; Tsang, Chi-Wing; Patrick, Brian O.; Lam, Anita E.; Gates, Derek P.","Scope and limitations of the base-catalyzed phospha-peterson P=C bond-forming reaction.","Inorganic chemistry","2006","45","13","5225","5234","10.1021/ic060236p","","","0.7107","MoKα","","0.0753","0.041","","0.1234","","0.1234","","","1.074","","","1.074","","","","has coordinates","239817","2020-10-21","18:00:00",""
"4350260","12.5689","0.0008","10.4921","0.0006","15.616","0.001","90","","109.345","0.003","90","","1943.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 O P -","- C23 H23 O P -","- C92 H92 O4 P4 -","4","1","","Yam, Mandy; Chong, Jonathan H.; Tsang, Chi-Wing; Patrick, Brian O.; Lam, Anita E.; Gates, Derek P.","Scope and limitations of the base-catalyzed phospha-peterson P=C bond-forming reaction.","Inorganic chemistry","2006","45","13","5225","5234","10.1021/ic060236p","","","0.71073","MoKα","","0.0477","0.0389","","","0.115","0.1204","","","","","","1.091","","","","has coordinates","239817","2020-10-21","18:00:00",""
"4350261","11.0156","0.0012","17.2536","0.0016","9.4749","0.001","90","","107.886","0.005","90","","1713.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N P -","- C21 H20 N P -","- C84 H80 N4 P4 -","4","1","","Yam, Mandy; Chong, Jonathan H.; Tsang, Chi-Wing; Patrick, Brian O.; Lam, Anita E.; Gates, Derek P.","Scope and limitations of the base-catalyzed phospha-peterson P=C bond-forming reaction.","Inorganic chemistry","2006","45","13","5225","5234","10.1021/ic060236p","","","0.71073","MoKα","","0.0673","0.0427","","","0.1122","0.1244","","","","","","1.054","","","","has coordinates,has disorder","239817","2020-10-21","18:00:00",""
"4350262","22.447","0.002","15.2803","0.0009","13.533","0.0011","90","","122.037","0.003","90","","3934.9","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H58 O P2 -","- C50 H58 O P2 -","- C200 H232 O4 P8 -","4","0.5","","Yam, Mandy; Chong, Jonathan H.; Tsang, Chi-Wing; Patrick, Brian O.; Lam, Anita E.; Gates, Derek P.","Scope and limitations of the base-catalyzed phospha-peterson P=C bond-forming reaction.","Inorganic chemistry","2006","45","13","5225","5234","10.1021/ic060236p","","","0.71069","MoKα","","0.0616","0.0416","","","0.1037","0.1117","","","","","","0.998","","","","has coordinates,has disorder","239817","2020-10-21","18:00:00",""
"4350263","6.849","0.0003","7.78","0.0004","13.726","0.0008","73.765","0.002","84.77","0.002","80.681","0.002","692.15","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H16 Cu2 Fe N12 -","- C28 H16 Cu2 Fe N12 -","- C28 H16 Cu2 Fe N12 -","1","0.5","","Galet, Ana; Muñoz, M Carmen; Real, José Antonio","{Fe(3CNpy)2[Cu(3CNpy)(mu-CN)2]2}: a one-dimensional cyanide-based spin-crossover coordination polymer.","Inorganic chemistry","2006","45","12","4583","4585","10.1021/ic060247i","","","0.71073","MoKα","","0.0871","0.0545","","","0.1151","0.1314","","","","","","1.03","","","","has coordinates","239818","2020-10-21","18:00:00",""
"4350264","6.926","0.0003","8.061","0.0003","13.969","0.0006","73.533","0.002","89.662","0.002","81.12","0.002","738.35","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H16 Cu2 Fe N12 -","- C28 H16 Cu2 Fe N12 -","- C28 H16 Cu2 Fe N12 -","1","0.5","","Galet, Ana; Muñoz, M Carmen; Real, José Antonio","{Fe(3CNpy)2[Cu(3CNpy)(mu-CN)2]2}: a one-dimensional cyanide-based spin-crossover coordination polymer.","Inorganic chemistry","2006","45","12","4583","4585","10.1021/ic060247i","","","0.71073","MoKα","","0.1092","0.0586","","","0.1622","0.2103","","","","","","0.97","","","","has coordinates","239818","2020-10-21","18:00:00",""
"4350265","23.057","0.006","11.645","0.003","17.383","0.004","90","","95.41","0.006","90","","4647","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H66 Co2 N6 O4 -","- C48 H66 Co2 N6 O4 -","- C192 H264 Co8 N24 O16 -","4","0.5","","Rodríguez, Laura; Labisbal, Elena; Sousa-Pedrares, Antonio; García-Vazquez, José Arturo; Romero, Jaime; Duran, María Luz; Real, José A; Sousa, Antonio","Coordination chemistry of amine bis(phenolate) cobalt(II), nickel(II), and copper(II) complexes.","Inorganic chemistry","2006","45","19","7903","7914","10.1021/ic0602594","","","0.71073","MoKα","","0.0582","0.0342","","","0.0813","0.0981","","","","","","1.081","","","","has coordinates","239819","2020-10-21","18:00:00",""
"4350266","30.734","0.005","20.182","0.003","21.84","0.003","90","","90","","90","","13547","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H64 N4 Ni2 O6 -","- C44 H64 N4 Ni2 O6 -","- C528 H768 N48 Ni24 O72 -","12","1.5","","Rodríguez, Laura; Labisbal, Elena; Sousa-Pedrares, Antonio; García-Vazquez, José Arturo; Romero, Jaime; Duran, María Luz; Real, José A; Sousa, Antonio","Coordination chemistry of amine bis(phenolate) cobalt(II), nickel(II), and copper(II) complexes.","Inorganic chemistry","2006","45","19","7903","7914","10.1021/ic0602594","","","0.71073","MoKα","","0.1777","0.0517","","","0.1123","0.1571","","","","","","0.93","","","","has coordinates","239819","2020-10-21","18:00:00",""
"4350267","20.434","0.013","8.349","0.002","27.166","0.008","90","","106.72","0.04","90","","4439","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H66 Cu2 N4 O7 -","- C44 H66 Cu2 N4 O7 -","- C176 H264 Cu8 N16 O28 -","4","0.5","","Rodríguez, Laura; Labisbal, Elena; Sousa-Pedrares, Antonio; García-Vazquez, José Arturo; Romero, Jaime; Duran, María Luz; Real, José A; Sousa, Antonio","Coordination chemistry of amine bis(phenolate) cobalt(II), nickel(II), and copper(II) complexes.","Inorganic chemistry","2006","45","19","7903","7914","10.1021/ic0602594","","","0.71073","MoKα","","0.3205","0.0633","","","0.0971","0.1357","","","","","","0.941","","","","has coordinates","239819","2020-10-21","18:00:00",""
"4350268","9.0313","0.0015","11.0953","0.0018","12.8729","0.0019","80.93","0.001","73.87","0.001","72.98","0.001","1180.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H66 Cu2 N6 O4 -","- C48 H66 Cu2 N6 O4 -","- C48 H66 Cu2 N6 O4 -","1","0.5","","Rodríguez, Laura; Labisbal, Elena; Sousa-Pedrares, Antonio; García-Vazquez, José Arturo; Romero, Jaime; Duran, María Luz; Real, José A; Sousa, Antonio","Coordination chemistry of amine bis(phenolate) cobalt(II), nickel(II), and copper(II) complexes.","Inorganic chemistry","2006","45","19","7903","7914","10.1021/ic0602594","","","1.5418","CuKα","","0.044","0.0378","","","0.1118","0.1164","","","","","","1.063","","","","has coordinates","239819","2020-10-21","18:00:00",""
"4350269","13.2334","0.0002","13.2334","0.0002","38.5792","0.0009","90","","90","","90","","6756.1","0.2","174","2","174","2","","","","","","","","6","I 41/a :2","-I 4ad","88","[L14Cu4]","","","- C64 H100 Cu4 N4 O8 S4 -","- C64 H100 Cu4 N4 O8 S4 -","- C256 H400 Cu16 N16 O32 S16 -","4","0.25","","Tesema, Yohannes T.; Pham, David M.; Franz, Katherine J.","Synthesis and characterization of copper(II) complexes of cysteinyldopa and benzothiazine model ligands related to pheomelanin.","Inorganic chemistry","2006","45","16","6102","6104","10.1021/ic060262n","","","0.71073","MoKα","","0.0637","0.046","","","0.1149","0.1273","","","","","","1.015","","","","has coordinates","239820","2020-10-21","18:00:00",""
"4350270","12.6592","0.0007","8.9229","0.0004","14.7668","0.0008","90","","109.399","0.004","90","","1573.31","0.15","174","2","174","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu(zine)2]","","","- C32 H44 Cu N2 O2 S2 -","- C32 H44 Cu N2 O2 S2 -","- C64 H88 Cu2 N4 O4 S4 -","2","0.5","","Tesema, Yohannes T.; Pham, David M.; Franz, Katherine J.","Synthesis and characterization of copper(II) complexes of cysteinyldopa and benzothiazine model ligands related to pheomelanin.","Inorganic chemistry","2006","45","16","6102","6104","10.1021/ic060262n","","","0.71073","MoKα","","0.0552","0.0359","","","0.0862","0.0912","","","","","","1.004","","","","has coordinates","239820","2020-10-21","18:00:00",""
"4350271","9.9417","0.0005","11.8736","0.0006","13.7756","0.0007","89.784","0.001","82.815","0.001","86.064","0.001","1609.53","0.14","174","2","174","2","","","","","","","","5","P -1","-P 1","2","5,7-di-(t-butyl)-4-hydroxyl-1,3-benzylthiazole-2-carbaldehyde (Zole)","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","2","","Tesema, Yohannes T.; Pham, David M.; Franz, Katherine J.","Synthesis and characterization of copper(II) complexes of cysteinyldopa and benzothiazine model ligands related to pheomelanin.","Inorganic chemistry","2006","45","16","6102","6104","10.1021/ic060262n","","","0.71073","MoKα","","0.064","0.0472","","","0.1184","0.1292","","","","","","1.114","","","","has coordinates,has disorder","239820","2020-10-21","18:00:00",""
"4350272","10.163","0.0011","10.6042","0.0015","10.1858","0.001","90","","90","","90","","1097.7","0.2","200","2","200","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C4 H4 Cl N2 Zn0.5 -","- C8 H8 Cl2 N4 Zn -","- C32 H32 Cl8 N16 Zn4 -","4","0.25","","Bhosekar, Gaurav; Jess, Inke; Näther, Christian","On the preparation of coordination polymers by controlled thermal decomposition: synthesis, crystal structures, and thermal properties of zinc halide pyrazine coordination compounds.","Inorganic chemistry","2006","45","16","6508","6515","10.1021/ic060298f","","","0.71073","MoKα","","0.0311","0.026","","","0.0692","0.0725","","","","","","1.049","","","","has coordinates","239821","2020-10-21","18:00:00",""
"4350273","7.1969","0.0008","7.1969","0.0008","11.1356","0.0015","90","","90","","90","","576.77","0.12","170","2","170","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C8 H8 Br2 N2 Zn -","- C8 H8 Br2 N4 Zn -","- C16 H16 Br4 N8 Zn2 -","2","0.0625","","Bhosekar, Gaurav; Jess, Inke; Näther, Christian","On the preparation of coordination polymers by controlled thermal decomposition: synthesis, crystal structures, and thermal properties of zinc halide pyrazine coordination compounds.","Inorganic chemistry","2006","45","16","6508","6515","10.1021/ic060298f","","","0.71073","MoKα","","0.0231","0.0228","","","0.0552","0.0554","","","","","","1.188","","","","has coordinates","239821","2020-10-21","18:00:00",""
"4350274","6.3113","0.0008","9.898","0.0013","7.438","0.0009","90","","109.871","0.014","90","","436.98","0.1","170","2","170","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H4 I2 N2 Zn -","- C4 H4 I2 N2 Zn -","- C8 H8 I4 N4 Zn2 -","2","0.5","","Bhosekar, Gaurav; Jess, Inke; Näther, Christian","On the preparation of coordination polymers by controlled thermal decomposition: synthesis, crystal structures, and thermal properties of zinc halide pyrazine coordination compounds.","Inorganic chemistry","2006","45","16","6508","6515","10.1021/ic060298f","","","0.71073","MoKα","","0.0416","0.0357","","","0.0933","0.0956","","","","","","1.116","","","","has coordinates","239821","2020-10-21","18:00:00",""
"4350275","7.606","0.002","20.37","0.006","9.034","0.003","90","","105.085","0.004","90","","1351.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 O4 Y2 -","- C28 H38 O4 Y2 -","- C56 H76 O8 Y4 -","2","0.5","","Zhang, Chunmei; Liu, Ruiting; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of lanthanocene hydroxides toward ketene, isocyanate, lanthanocene alkyl, and triscyclopentadienyllanthanide complexes.","Inorganic chemistry","2006","45","15","5867","5877","10.1021/ic0602998","","","0.71073","MoKα","","0.0585","0.0351","","","0.0743","0.0781","","","","","","0.891","","","","has coordinates","239822","2020-10-21","18:00:00",""
"4350276","7.593","0.003","20.271","0.008","8.999","0.003","90","","104.861","0.005","90","","1338.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Er2 O4 -","- C28 H38 Er2 O4 -","- C56 H76 Er4 O8 -","2","0.5","","Zhang, Chunmei; Liu, Ruiting; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of lanthanocene hydroxides toward ketene, isocyanate, lanthanocene alkyl, and triscyclopentadienyllanthanide complexes.","Inorganic chemistry","2006","45","15","5867","5877","10.1021/ic0602998","","","0.71073","MoKα","","0.0521","0.0407","","","0.096","0.1008","","","","","","1.108","","","","has coordinates","239822","2020-10-21","18:00:00",""
"4350277","11.542","0.0015","14.977","0.002","22.309","0.003","90","","90","","90","","3856.4","0.9","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H51 O6 Yb3 -","- C37 H51 O6 Yb3 -","- C148 H204 O24 Yb12 -","4","0.5","","Zhang, Chunmei; Liu, Ruiting; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of lanthanocene hydroxides toward ketene, isocyanate, lanthanocene alkyl, and triscyclopentadienyllanthanide complexes.","Inorganic chemistry","2006","45","15","5867","5877","10.1021/ic0602998","","","0.71073","MoKα","","0.066","0.0372","","","0.0791","0.1018","","","","","","1.108","","","","has coordinates","239822","2020-10-21","18:00:00",""
"4350278","10.77","0.004","8.474","0.003","19.313","0.007","90","","90.797","0.005","90","","1762.4","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 O4 Yb2 -","- C40 H42 O4 Yb2 -","- C80 H84 O8 Yb4 -","2","0.5","","Zhang, Chunmei; Liu, Ruiting; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of lanthanocene hydroxides toward ketene, isocyanate, lanthanocene alkyl, and triscyclopentadienyllanthanide complexes.","Inorganic chemistry","2006","45","15","5867","5877","10.1021/ic0602998","","","0.71073","MoKα","","0.0502","0.0371","","","0.0867","0.0938","","","","","","1.052","","","","has coordinates","239822","2020-10-21","18:00:00",""
"4350279","10.787","0.004","8.545","0.003","19.523","0.007","90","","90.759","0.005","90","","1799.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Er2 O4 -","- C40 H42 Er2 O4 -","- C80 H84 Er4 O8 -","2","0.5","","Zhang, Chunmei; Liu, Ruiting; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of lanthanocene hydroxides toward ketene, isocyanate, lanthanocene alkyl, and triscyclopentadienyllanthanide complexes.","Inorganic chemistry","2006","45","15","5867","5877","10.1021/ic0602998","","","0.71073","MoKα","","0.0427","0.0312","","","0.0609","0.0643","","","","","","1.072","","","","has coordinates","239822","2020-10-21","18:00:00",""
"4350280","10.811","0.008","8.599","0.007","19.625","0.009","90","","90.586","0.012","90","","1824","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 O4 Y2 -","- C40 H42 O4 Y2 -","- C80 H84 O8 Y4 -","2","0.5","","Zhang, Chunmei; Liu, Ruiting; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of lanthanocene hydroxides toward ketene, isocyanate, lanthanocene alkyl, and triscyclopentadienyllanthanide complexes.","Inorganic chemistry","2006","45","15","5867","5877","10.1021/ic0602998","","","0.71073","MoKα","","0.1031","0.0619","","","0.1414","0.1619","","","","","","0.986","","","","has coordinates","239822","2020-10-21","18:00:00",""
"4350281","17.141","0.005","16.16","0.004","11.854","0.003","90","","94.331","0.005","90","","3274.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 N O4 Y2 -","- C35 H41 N O4 Y2 -","- C140 H164 N4 O16 Y8 -","4","1","","Zhang, Chunmei; Liu, Ruiting; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of lanthanocene hydroxides toward ketene, isocyanate, lanthanocene alkyl, and triscyclopentadienyllanthanide complexes.","Inorganic chemistry","2006","45","15","5867","5877","10.1021/ic0602998","","","0.71073","MoKα","","0.1487","0.0472","","","0.0485","0.0598","","","","","","0.651","","","","has coordinates","239822","2020-10-21","18:00:00",""
"4350282","17.103","0.011","16.043","0.01","11.792","0.007","90","","94.37","0.008","90","","3226","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 N O4 Yb2 -","- C35 H41 N O4 Yb2 -","- C140 H164 N4 O16 Yb8 -","4","1","","Zhang, Chunmei; Liu, Ruiting; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of lanthanocene hydroxides toward ketene, isocyanate, lanthanocene alkyl, and triscyclopentadienyllanthanide complexes.","Inorganic chemistry","2006","45","15","5867","5877","10.1021/ic0602998","","","0.71073","MoKα","","0.0718","0.0506","","","0.1199","0.1309","","","","","","0.967","","","","has coordinates","239822","2020-10-21","18:00:00",""
"4350283","17.132","0.005","16.122","0.005","11.839","0.004","90","","94.353","0.004","90","","3260.5","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 Er2 N O4 -","- C35 H41 Er2 N O4 -","- C140 H164 Er8 N4 O16 -","4","1","","Zhang, Chunmei; Liu, Ruiting; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of lanthanocene hydroxides toward ketene, isocyanate, lanthanocene alkyl, and triscyclopentadienyllanthanide complexes.","Inorganic chemistry","2006","45","15","5867","5877","10.1021/ic0602998","","","0.71073","MoKα","","0.0389","0.0261","","","0.0548","0.0585","","","","","","0.989","","","","has coordinates","239822","2020-10-21","18:00:00",""
"4350284","13.138","0.004","10.039","0.003","21.099","0.007","90","","102.521","0.004","90","","2716.6","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 O3 Yb2 -","- C28 H36 O3 Yb2 -","- C112 H144 O12 Yb8 -","4","0.5","","Zhang, Chunmei; Liu, Ruiting; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of lanthanocene hydroxides toward ketene, isocyanate, lanthanocene alkyl, and triscyclopentadienyllanthanide complexes.","Inorganic chemistry","2006","45","15","5867","5877","10.1021/ic0602998","","","0.71073","MoKα","","0.0425","0.0347","","","0.0796","0.0819","","","","","","1.204","","","","has coordinates","239822","2020-10-21","18:00:00",""
"4350285","10.962","0.003","15.106","0.004","28.887","0.007","90","","90","","90","","4783","2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H61 Cl Er3 Li O6 -","- C46 H61 Cl Er3 Li O6 -","- C184 H244 Cl4 Er12 Li4 O24 -","4","1","","Zhang, Chunmei; Liu, Ruiting; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of lanthanocene hydroxides toward ketene, isocyanate, lanthanocene alkyl, and triscyclopentadienyllanthanide complexes.","Inorganic chemistry","2006","45","15","5867","5877","10.1021/ic0602998","","","0.71073","MoKα","","0.0659","0.0474","","","0.0916","0.0986","","","","","","1.037","","","","has coordinates","239822","2020-10-21","18:00:00",""
"4350286","7.7927","0.0002","11.9503","0.0003","12.6843","0.0004","70.7925","0.001","82.4865","0.001","78.227","0.002","1089.42","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","CrMn-C2O4","","","- C19 H20 Cr Mn N6 O6 -","- C19 H20 Cr Mn N6 O6 -","- C38 H40 Cr2 Mn2 N12 O12 -","2","1","","Zhang, Yuan-Zhu; Wang, Zhe-Ming; Gao, Song","Heterometallic Cr-Mn complexes containing cyanide and oxalate bridges.","Inorganic chemistry","2006","45","14","5447","5454","10.1021/ic0603003","","","0.71073","MoKα","","0.0946","0.0474","","","0.1201","0.1344","","","","","","0.991","","","","has coordinates","239823","2020-10-21","18:00:00",""
"4350287","7.9061","0.0002","11.9199","0.0003","12.5702","0.0004","66.378","0.0014","80.6314","0.0012","80.0802","0.0014","1063.34","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","CrMn-bpy-C2O4-2D","","","- C16 H18 Cr Mn N6 O6 -","- C16 H18 Cr Mn N6 O6 -","- C32 H36 Cr2 Mn2 N12 O12 -","2","1","","Zhang, Yuan-Zhu; Wang, Zhe-Ming; Gao, Song","Heterometallic Cr-Mn complexes containing cyanide and oxalate bridges.","Inorganic chemistry","2006","45","14","5447","5454","10.1021/ic0603003","","","0.71073","MoKα","","0.0724","0.0432","","","0.1158","0.1254","","","","","","1.026","","","","has coordinates","239823","2020-10-21","18:00:00",""
"4350288","14.378","0.003","12.455","0.003","15.422","0.003","90","","106.8","0.03","90","","2643.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1D-C2O4-Chain","","","- C25 H16 Cr Mn N8 O2 -","- C25 H16 Cr Mn N8 O2 -","- C100 H64 Cr4 Mn4 N32 O8 -","4","1","","Zhang, Yuan-Zhu; Wang, Zhe-Ming; Gao, Song","Heterometallic Cr-Mn complexes containing cyanide and oxalate bridges.","Inorganic chemistry","2006","45","14","5447","5454","10.1021/ic0603003","","","0.71073","MoKα","","0.0981","0.0457","","","0.0901","0.1027","","","","","","0.924","","","","has coordinates","239823","2020-10-21","18:00:00",""
"4350289","12.209","0.007","13.737","0.008","14.884","0.009","79.304","0.011","83.491","0.011","89.745","0.012","2437","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H20 Cl Cu N5 O5 S -","- C24 H20 Cl Cu N5 O5 S -","- C96 H80 Cl4 Cu4 N20 O20 S4 -","4","2","","Dhar, Shanta; Nethaji, Munirathinam; Chakravarty, Akhil R.","DNA cleavage on photoexposure at the d-d band in ternary copper(II) complexes using red-light laser.","Inorganic chemistry","2006","45","26","11043","11050","10.1021/ic060328e","","","0.71073","MoKα","","0.1419","0.0909","","","0.1733","0.1941","","","","","","1.133","","","","has coordinates","239824","2020-10-21","18:00:00",""
"4350290","12.8467","0.0008","8.7029","0.0005","24.2627","0.0015","90","","94.079","0.001","90","","2705.8","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 F3 N4 O6 Ru S2 -","- C25 H23 F3 N4 O6 Ru S2 -","- C100 H92 F12 N16 O24 Ru4 S8 -","4","1","","Rachford, Aaron A.; Petersen, Jeffrey L.; Rack, Jeffrey J.","Efficient energy conversion in photochromic ruthenium DMSO complexes.","Inorganic chemistry","2006","45","15","5953","5960","10.1021/ic0603398","","","0.71073","MoKα","","0.0602","0.053","","","0.1427","0.1493","","","","","","1.035","","","","has coordinates,has disorder","239825","2020-10-21","18:00:00",""
"4350291","9.2982","0.001","16.4914","0.0019","18.014","0.002","90","","91.217","0.002","90","","2761.6","0.5","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 F3 N4 O6 Ru S2 -","- C25 H23 F3 N4 O6 Ru S2 -","- C100 H92 F12 N16 O24 Ru4 S8 -","4","1","","Rachford, Aaron A.; Petersen, Jeffrey L.; Rack, Jeffrey J.","Efficient energy conversion in photochromic ruthenium DMSO complexes.","Inorganic chemistry","2006","45","15","5953","5960","10.1021/ic0603398","","","0.71073","MoKα","","0.0783","0.0557","","","0.1379","0.1574","","","","","","1.021","","","","has coordinates","239825","2020-10-21","18:00:00",""
"4350292","9.6184","0.0005","12.8578","0.0007","22.318","0.0012","90.049","0.001","92.051","0.001","99.558","0.001","2720","0.3","295","2","295","2","","","","","","","","9","P -1","-P 1","2","","","","- C23 H20 Br F6 N4 O3 P Ru S -","- C23 H20 Br F6 N4 O3 P Ru S -","- C92 H80 Br4 F24 N16 O12 P4 Ru4 S4 -","4","2","","Rachford, Aaron A.; Petersen, Jeffrey L.; Rack, Jeffrey J.","Efficient energy conversion in photochromic ruthenium DMSO complexes.","Inorganic chemistry","2006","45","15","5953","5960","10.1021/ic0603398","","","0.71073","MoKα","","0.0666","0.0472","","","0.122","0.1344","","","","","","1.026","","","","has coordinates","239825","2020-10-21","18:00:00",""
"4350293","16.984","0.003","9.8207","0.0014","27.682","0.005","90","","95.812","0.007","90","","4593.5","1.3","100","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H41 N4 O3.5 P2 Zn -","- C56 H38 N4 O3.5 P2 Zn -","- C224 H152 N16 O14 P8 Zn4 -","4","1","","Atefi, Farzad; McMurtrie, John C.; Turner, Peter; Duriska, Martin; Arnold, Dennis P.","Meso-porphyrinylphosphine oxides: mono- and bidentate ligands for supramolecular chemistry and the crystal structures of monomeric {[10,20-diphenylporphyrinatonickel(II)-5,15-diyl]-bis-[P(O)Ph(2)] and polymeric self-coordinated {[10,20-diphenylporphyrinatozinc(II)-5,15-diyl]-bis-[P(O)Ph(2)]}.","Inorganic chemistry","2006","45","16","6479","6489","10.1021/ic060372u","","","0.48595","synchrotron","","0.1094","0.0497","","","0.1131","0.1279","","","","","","0.907","","","","has coordinates","239826","2020-10-21","18:00:00",""
"4350294","20.2401","0.0007","18.7057","0.0007","16.0264","0.0006","90","","123.651","0.002","90","","5050.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H40 N4 Ni O3 P2 -","- C56 H38 N4 Ni O3 P2 -","- C224 H152 N16 Ni4 O12 P8 -","4","0.5","","Atefi, Farzad; McMurtrie, John C.; Turner, Peter; Duriska, Martin; Arnold, Dennis P.","Meso-porphyrinylphosphine oxides: mono- and bidentate ligands for supramolecular chemistry and the crystal structures of monomeric {[10,20-diphenylporphyrinatonickel(II)-5,15-diyl]-bis-[P(O)Ph(2)] and polymeric self-coordinated {[10,20-diphenylporphyrinatozinc(II)-5,15-diyl]-bis-[P(O)Ph(2)]}.","Inorganic chemistry","2006","45","16","6479","6489","10.1021/ic060372u","","","0.71073","MoKα","","0.0877","0.0546","","","0.148","0.1547","","","","","","0.934","","","","has coordinates","239827","2020-10-21","18:00:00",""
"4350295","9.9003","0.0002","19.3077","0.0004","16.9681","0.0004","90","","106.19","0.01","90","","3114.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N6 O4 Pd2 -","- C30 H38 N6 O4 Pd2 -","- C120 H152 N24 O16 Pd8 -","4","1","","Ruiz, José; Lorenzo, Julia; Sanglas, Laura; Cutillas, Natalia; Vicente, Consuelo; Villa, María Dolores; Avilés, Francesc X; López, Gregorio; Moreno, Virtudes; Pérez, José; Bautista, Delia","Palladium(II) and platinum(II) organometallic complexes with the model nucleobase anions of thymine, uracil, and cytosine: antitumor activity and interactions with DNA of the platinum compounds.","Inorganic chemistry","2006","45","16","6347","6360","10.1021/ic060374e","","","0.71073","MoKα","","0.0499","0.0328","","","0.0755","0.0829","","","","","","1.026","","","","has coordinates","239829","2020-10-21","18:00:00",""
"4350296","20.1123","0.0011","9.776","0.0011","20.7128","0.0011","90","","92.273","0.005","90","","4069.3","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 Cl6 N8 O2 Pd2 -","- C30 H38 Cl6 N8 O2 Pd2 -","- C120 H152 Cl24 N32 O8 Pd8 -","4","1","","Ruiz, José; Lorenzo, Julia; Sanglas, Laura; Cutillas, Natalia; Vicente, Consuelo; Villa, María Dolores; Avilés, Francesc X; López, Gregorio; Moreno, Virtudes; Pérez, José; Bautista, Delia","Palladium(II) and platinum(II) organometallic complexes with the model nucleobase anions of thymine, uracil, and cytosine: antitumor activity and interactions with DNA of the platinum compounds.","Inorganic chemistry","2006","45","16","6347","6360","10.1021/ic060374e","","","0.71073","MoKα","","0.0758","0.0376","","","0.0858","0.0936","","","","","","0.858","","","","has coordinates","239829","2020-10-21","18:00:00",""
"4350297","10.141","0.001","14.657","0.001","16.107","0.001","80.22","0.01","72.17","0.01","73.14","0.01","2172.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H37 Cl9 N3 O2 P Pd -","- C36 H37 Cl9 N3 O2 P Pd -","- C72 H74 Cl18 N6 O4 P2 Pd2 -","2","1","","Ruiz, José; Lorenzo, Julia; Sanglas, Laura; Cutillas, Natalia; Vicente, Consuelo; Villa, María Dolores; Avilés, Francesc X; López, Gregorio; Moreno, Virtudes; Pérez, José; Bautista, Delia","Palladium(II) and platinum(II) organometallic complexes with the model nucleobase anions of thymine, uracil, and cytosine: antitumor activity and interactions with DNA of the platinum compounds.","Inorganic chemistry","2006","45","16","6347","6360","10.1021/ic060374e","","","0.71073","MoKα","","0.0986","0.0763","","","0.2143","0.2318","","","","","","1.012","","","","has coordinates,has disorder","239829","2020-10-21","18:00:00",""
"4350298","18.2589","0.0011","8.0212","0.0005","20.8978","0.0013","90","","106.368","0.002","90","","2936.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 N3 O2 P Pt -","- C33 H34 N3 O2 P Pt -","- C132 H136 N12 O8 P4 Pt4 -","4","1","","Ruiz, José; Lorenzo, Julia; Sanglas, Laura; Cutillas, Natalia; Vicente, Consuelo; Villa, María Dolores; Avilés, Francesc X; López, Gregorio; Moreno, Virtudes; Pérez, José; Bautista, Delia","Palladium(II) and platinum(II) organometallic complexes with the model nucleobase anions of thymine, uracil, and cytosine: antitumor activity and interactions with DNA of the platinum compounds.","Inorganic chemistry","2006","45","16","6347","6360","10.1021/ic060374e","","","0.71073","MoKα","","0.0311","0.0266","","","0.0565","0.0581","","","","","","1.081","","","","has coordinates","239829","2020-10-21","18:00:00",""
"4350299","21.686","0.002","19.712","0.002","11.919","0.001","90","","108.457","0.007","90","","4833","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 F5 N4 O2 Pd -","- C18 H23 F5 N4 O2 Pd -","- C144 H184 F40 N32 O16 Pd8 -","8","1","","Ruiz, José; Lorenzo, Julia; Sanglas, Laura; Cutillas, Natalia; Vicente, Consuelo; Villa, María Dolores; Avilés, Francesc X; López, Gregorio; Moreno, Virtudes; Pérez, José; Bautista, Delia","Palladium(II) and platinum(II) organometallic complexes with the model nucleobase anions of thymine, uracil, and cytosine: antitumor activity and interactions with DNA of the platinum compounds.","Inorganic chemistry","2006","45","16","6347","6360","10.1021/ic060374e","","","0.71073","MoKα","","0.0491","0.0411","","","0.1452","0.1511","","","","","","1.165","","","","has coordinates,has disorder","239829","2020-10-21","18:00:00",""
"4350300","15.419","0.001","16.771","0.001","15.51","0.001","90","","97.43","0.01","90","","3977.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 F5 N5 O6 Pd -","- C34 H54 F5 N5 O6 Pd -","- C136 H216 F20 N20 O24 Pd4 -","4","1","","Ruiz, José; Lorenzo, Julia; Sanglas, Laura; Cutillas, Natalia; Vicente, Consuelo; Villa, María Dolores; Avilés, Francesc X; López, Gregorio; Moreno, Virtudes; Pérez, José; Bautista, Delia","Palladium(II) and platinum(II) organometallic complexes with the model nucleobase anions of thymine, uracil, and cytosine: antitumor activity and interactions with DNA of the platinum compounds.","Inorganic chemistry","2006","45","16","6347","6360","10.1021/ic060374e","","","0.71073","mokα","","0.075","0.0487","","","0.118","0.1284","","","","","","1.066","","","","has coordinates","239829","2020-10-21","18:00:00",""
"4350301","17.1149","0.0006","14.5303","0.0006","26.5117","0.0011","90","","95.791","0.001","90","","6559.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H180 Eu2 N6 O36 S8 -","- C116 H166 Eu2 N6 O36 S8 -","- C232 H332 Eu4 N12 O72 S16 -","2","0.5","","Kajiwara, Takashi; Katagiri, Kensuke; Hasegawa, Miki; Ishii, Ayumi; Ferbinteanu, Marilena; Takaishi, Shinya; Ito, Tasuku; Yamashita, Masahiro; Iki, Nobuhiko","Conformation-controlled luminescent properties of lanthanide clusters containing p-tert-butylsulfonylcalix[4]arene.","Inorganic chemistry","2006","45","13","4880","4882","10.1021/ic060397t","","","0.71073","MoKα","","0.1162","0.0574","","","0.0918","0.105","","","","","","0.824","","","","has coordinates,has disorder","239830","2020-10-21","18:00:00",""
"4350302","17.6531","0.0013","17.6531","0.0013","31.496","0.003","90","","90","","90","","9815.2","1.4","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C170 H290 Eu4 N10 O42 S8 -","- C170 H264 Eu4 N10 O42 S8 -","- C340 H528 Eu8 N20 O84 S16 -","2","0.25","","Kajiwara, Takashi; Katagiri, Kensuke; Hasegawa, Miki; Ishii, Ayumi; Ferbinteanu, Marilena; Takaishi, Shinya; Ito, Tasuku; Yamashita, Masahiro; Iki, Nobuhiko","Conformation-controlled luminescent properties of lanthanide clusters containing p-tert-butylsulfonylcalix[4]arene.","Inorganic chemistry","2006","45","13","4880","4882","10.1021/ic060397t","","","0.71073","MoKα","","0.2096","0.0572","","","0.0798","0.1024","","","","","","0.627","","","","has coordinates,has disorder","239830","2020-10-21","18:00:00",""
"4350303","18.6426","0.0007","17.699","0.0007","18.6234","0.0007","90","","90","","90","","6144.9","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C68 H71 B Fe2 N8 O5 -","- C68 H71 B Fe2 N8 O5 -","- C272 H284 B4 Fe8 N32 O20 -","4","0.5","","Jullien, Josseline; Juhász, Gergely; Mialane, Pierre; Dumas, Eddy; Mayer, Cédric R; Marrot, Jérôme; Rivière, Eric; Bominaar, Emile L.; Münck, Eckard; Sécheresse, Francis","Structure and magnetic properties of a non-heme diiron complex singly bridged by a hydroxo group.","Inorganic chemistry","2006","45","17","6922","6927","10.1021/ic0604009","","","0.71073","MoKα","","0.1042","0.0468","","","0.1157","0.1386","","","","","","0.985","","","","has coordinates","239831","2020-10-21","18:00:00",""
"4350304","19.21","0.01","16.243","0.009","11.256","0.007","90","","107.34","0.02","90","","3353","3","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N3 O4 Re S -","- C16 H14 N3 O4 Re S -","- C128 H112 N24 O32 Re8 S8 -","8","2","","Chiotellis, Aris; Tsoukalas, Charalambos; Pelecanou, Maria; Papadopoulos, Apostolos; Raptopoulou, Catherine; Terzis, Aris; Pirmettis, Ioannis; Papadopoulos, Minas; Chiotellis, Efstratios","Synthesis and characterization of novel ""3 + 2"" oxorhenium complexes, ReO[SNO][NN].","Inorganic chemistry","2006","45","14","5635","5640","10.1021/ic0604260","","","0.71073","MoKα","","0.0508","0.0459","","","0.121","0.1267","","","","","","1.049","","","","has coordinates","239832","2020-10-21","18:00:00",""
"4350305","14.269","0.006","10.548","0.005","33.9","0.02","90","","91.87","0.02","90","","5100","4","298","","298","","","","","","","","","6","A 1 2/n 1","-A 2yab","15","","","","- C24 H30 N5 O5 Re S -","- C24 H30 N5 O5 Re S -","- C192 H240 N40 O40 Re8 S8 -","8","1","","Chiotellis, Aris; Tsoukalas, Charalambos; Pelecanou, Maria; Papadopoulos, Apostolos; Raptopoulou, Catherine; Terzis, Aris; Pirmettis, Ioannis; Papadopoulos, Minas; Chiotellis, Efstratios","Synthesis and characterization of novel ""3 + 2"" oxorhenium complexes, ReO[SNO][NN].","Inorganic chemistry","2006","45","14","5635","5640","10.1021/ic0604260","","","0.71073","MoKα","","0.0491","0.0379","","","0.0928","0.1022","","","","","","1.092","","","","has coordinates","239832","2020-10-21","18:00:00",""
"4350306","15.5476","0.0002","10.2437","0.0001","20.8661","0.0002","90","","90.212","0.001","90","","3323.22","0.06","293","2","293","2","","","","","","","Synthesis.","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H12 N4 O13 Ru5 -","- C25 H12 N4 O13 Ru5 -","- C100 H48 N16 O52 Ru20 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Alvarez, Pablo; Miguel, Daniel","High-nuclearity ruthenium carbonyl cluster complexes derived from 2-amino-6-methylpyridine: synthesis of nonanuclear derivatives containing mu4- and mu5-oxo ligands.","Inorganic chemistry","2006","45","15","6020","6027","10.1021/ic060433o","","","1.54178","CuKα","","0.039","0.0376","","","0.0956","0.0967","","","","","","1.099","","","","has coordinates","239833","2020-10-21","18:00:00",""
"4350307","10.3849","0.0002","11.0108","0.0001","21.9664","0.0003","86.577","0.001","87.122","0.001","85.863","0.001","2498.1","0.06","150","2","150","2","","","","","","","Synthesis. Crystallization from a CH~2~Cl~2~ / hexanes solution at room temperature by slow liquid-liquid difussion.","6","P -1","-P 1","2","","","","- C34 H18 Cl2 N4 O22 Ru9 -","- C34 H18 Cl2 N4 O22 Ru9 -","- C68 H36 Cl4 N8 O44 Ru18 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; García-Alvarez, Pablo; Miguel, Daniel","High-nuclearity ruthenium carbonyl cluster complexes derived from 2-amino-6-methylpyridine: synthesis of nonanuclear derivatives containing mu4- and mu5-oxo ligands.","Inorganic chemistry","2006","45","15","6020","6027","10.1021/ic060433o","","","1.5418","CuKα","","0.0432","0.0385","","","0.0894","0.0921","","","","","","1.036","","","","has coordinates","239833","2020-10-21","18:00:00",""
"4350308","15.632","0.007","14.108","0.006","24.727","0.011","90","","106.252","0.007","90","","5235","4","296","2","296","2","","","","","","","Synthesis. Crystallization from a CH~2~Cl~2~/ hexanes solution at room temperature by slow liquid-liquid difussion.","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H20 N6 O23 Ru9 -","- C39 H20 N6 O23 Ru9 -","- C156 H80 N24 O92 Ru36 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Alvarez, Pablo; Miguel, Daniel","High-nuclearity ruthenium carbonyl cluster complexes derived from 2-amino-6-methylpyridine: synthesis of nonanuclear derivatives containing mu4- and mu5-oxo ligands.","Inorganic chemistry","2006","45","15","6020","6027","10.1021/ic060433o","","","0.71073","MoKα","","0.0625","0.0468","","","0.1091","0.1252","","","","","","1.009","","","","has coordinates","239833","2020-10-21","18:00:00",""
"4350309","12.6444","0.0003","13.3104","0.0002","18.7836","0.0003","87.741","0.001","87.401","0.001","75.315","0.001","3053.63","0.1","200","2","200","2","","","","","","","Synthesis.","5","P -1","-P 1","2","","","","- C39 H20 N6 O23 Ru9 -","- C39 H20 N6 O23 Ru9 -","- C78 H40 N12 O46 Ru18 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; García-Alvarez, Pablo; Miguel, Daniel","High-nuclearity ruthenium carbonyl cluster complexes derived from 2-amino-6-methylpyridine: synthesis of nonanuclear derivatives containing mu4- and mu5-oxo ligands.","Inorganic chemistry","2006","45","15","6020","6027","10.1021/ic060433o","","","1.54178","CuKα","","0.0468","0.0394","","","0.1086","0.1128","","","","","","1.04","","","","has coordinates","239833","2020-10-21","18:00:00",""
"4350310","11.049","0.005","14.805","0.007","17.931","0.009","94.583","0.01","97.112","0.009","94.107","0.009","2891","2","296","2","296","2","","","","","","","Synthesis. Crystallization from a toluene/ hexanes solution at room temperature by slow liquid-liquid difussion.","5","P -1","-P 1","2","","","","- C39.75 H22 N6 O22 Ru9 -","- C39.75 H22 N6 O22 Ru9 -","- C79.5 H44 N12 O44 Ru18 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; García-Alvarez, Pablo; Miguel, Daniel","High-nuclearity ruthenium carbonyl cluster complexes derived from 2-amino-6-methylpyridine: synthesis of nonanuclear derivatives containing mu4- and mu5-oxo ligands.","Inorganic chemistry","2006","45","15","6020","6027","10.1021/ic060433o","","","0.71073","MoKα","","0.083","0.0626","","","0.1529","0.1814","","","","","","0.995","","","","has coordinates","239833","2020-10-21","18:00:00",""
"4350311","16.1578","0.0005","18.807","0.0006","18.1039","0.0005","90","","92.615","0.001","90","","5495.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H57 N7 O14 Zn2 -","- C51 H57 N7 O14 Zn2 -","- C204 H228 N28 O56 Zn8 -","4","1","","Chen, Banglin; Ma, Shengqian; Zapata, Fatima; Lobkovsky, Emil B.; Yang, Jun","Hydrogen adsorption in an interpenetrated dynamic metal-organic framework.","Inorganic chemistry","2006","45","15","5718","5720","10.1021/ic060437t","","","0.71073","MoKα","","0.1043","0.0477","","","0.1331","0.1564","","","","","","1.048","","","","has coordinates","239834","2020-10-21","18:00:00",""
"4350312","7.5609","0.0015","14.189","0.003","11.174","0.002","90","","99.04","0.03","90","","1183.9","0.4","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 F2 N O8 P2 V2 -","- C5 H14 F2 N O8 P2 V2 -","- C20 H56 F8 N4 O32 P8 V8 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J; Zubieta, Jon","Evolution of the structural chemistry of vanadium organodiphosphonate networks and frameworks: structural consequences of fluoride incorporation in the development of stable phases with void channels.","Inorganic chemistry","2006","45","19","7628","7641","10.1021/ic0604462","","x-ray","0.71073","MoKα","","0.0553","0.0404","","","0.0843","0.0888","","","","","","0.981","","","","has coordinates","239835","2020-10-21","18:00:00",""
"4350313","28.836","0.003","5.3256","0.0005","10.2448","0.001","90","","95.051","0.002","90","","1567.2","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H22 F2 N2 O10 P2 V2 -","- C6 H22 F2 N2 O10 P2 V2 -","- C24 H88 F8 N8 O40 P8 V8 -","4","0.5","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J; Zubieta, Jon","Evolution of the structural chemistry of vanadium organodiphosphonate networks and frameworks: structural consequences of fluoride incorporation in the development of stable phases with void channels.","Inorganic chemistry","2006","45","19","7628","7641","10.1021/ic0604462","","x-ray","0.71073","MoKα","","0.0514","0.0449","","","0.0974","0.0998","","","","","","1.188","","","","has coordinates","239835","2020-10-21","18:00:00",""
"4350314","7.8942","0.0008","9.3578","0.0009","17.2016","0.0017","99.665","0.002","96.062","0.002","107.762","0.002","1176.2","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C9.5 H28 F6 N2 O10 P3 V3 -","- C9.5 H28 F6 N2 O10 P3 V3 -","- C19 H56 F12 N4 O20 P6 V6 -","2","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J; Zubieta, Jon","Evolution of the structural chemistry of vanadium organodiphosphonate networks and frameworks: structural consequences of fluoride incorporation in the development of stable phases with void channels.","Inorganic chemistry","2006","45","19","7628","7641","10.1021/ic0604462","","x-ray","0.71073","MoKα","","0.0753","0.062","","","0.1294","0.1394","","","","","","1.046","","","","has coordinates,has disorder","239835","2020-10-21","18:00:00",""
"4350315","9.0982","0.0005","11.8549","0.0006","12.0113","0.0007","103.128","0.001","90.775","0.001","91.887","0.001","1260.68","0.12","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H31 F2 N3 O19.5 P4 V3.5 -","- C7 H24 F2 N3 O19.5 P4 V3.5 -","- C14 H48 F4 N6 O39 P8 V7 -","2","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J; Zubieta, Jon","Evolution of the structural chemistry of vanadium organodiphosphonate networks and frameworks: structural consequences of fluoride incorporation in the development of stable phases with void channels.","Inorganic chemistry","2006","45","19","7628","7641","10.1021/ic0604462","","x-ray","0.71073","MoKα","","0.0563","0.0516","","","0.1211","0.1238","","","","","","1.061","","","","has coordinates,has disorder","239835","2020-10-21","18:00:00",""
"4350316","7.1564","0.0006","18.2265","0.0016","8.1397","0.0007","90","","95.038","0.002","90","","1057.61","0.16","90","2","90","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C2 H9 F O9.25 P2 V1.5 -","- C2 H4 F O7 P2 V1.5 -","- C8 H16 F4 O28 P8 V6 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J; Zubieta, Jon","Evolution of the structural chemistry of vanadium organodiphosphonate networks and frameworks: structural consequences of fluoride incorporation in the development of stable phases with void channels.","Inorganic chemistry","2006","45","19","7628","7641","10.1021/ic0604462","","x-ray","0.71073","MoKα","","0.0707","0.0595","","","0.1304","0.1351","","","","","","1.129","","","","has coordinates,has disorder","239835","2020-10-21","18:00:00",""
"4350317","25.321","0.0012","10.5408","0.0005","11.8223","0.0005","90","","90","","90","","3155.4","0.3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C18 H36 Cr Li N16 Ni O5 -","- C18 H26 Cr Li N16 Ni O5 -","- C72 H104 Cr4 Li4 N64 Ni4 O20 -","4","1","","Atanasov, Mihail; Comba, Peter; Förster, Sebastian; Linti, Gerald; Malcherek, Thomas; Miletich, Ronald; Prikhod'ko, Alexander I.; Wadepohl, Hubert","Tuning of inter- versus intrachain magnetic interactions in cyano-bridged Ni(II)/M(III) (M = Cr, Fe, Co) chain complexes.","Inorganic chemistry","2006","45","19","7722","7735","10.1021/ic060453q","","x-ray","0.71073","MoKα","","0.065","0.0439","","","0.113","0.1232","","","","","","1.048","","","","has coordinates","239836","2020-10-21","18:00:00",""
"4350318","24.3293","0.0013","11.6824","0.0006","41.935","0.002","90","","90","","90","","11919","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H71.75 Cr2 N34 Ni2 O5.88 -","- C36 H52 Cr2 N34 Ni2 O5.884 -","- C288 H416 Cr16 N272 Ni16 O47.072 -","8","1","","Atanasov, Mihail; Comba, Peter; Förster, Sebastian; Linti, Gerald; Malcherek, Thomas; Miletich, Ronald; Prikhod'ko, Alexander I.; Wadepohl, Hubert","Tuning of inter- versus intrachain magnetic interactions in cyano-bridged Ni(II)/M(III) (M = Cr, Fe, Co) chain complexes.","Inorganic chemistry","2006","45","19","7722","7735","10.1021/ic060453q","","x-ray","0.71073","MoKα","","0.0891","0.055","","","0.1554","0.1675","","","","","","1.091","","","","has coordinates","239836","2020-10-21","18:00:00",""
"4350319","24.3293","0.0013","11.6824","0.0006","41.935","0.002","90","","90","","90","","11919","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H58 Cr2 K2 N32 Ni2 O7.5 -","- C36 H52 Cr2 K2 N32 Ni2 O7.42 -","- C288 H416 Cr16 K16 N256 Ni16 O59.36 -","8","1","","Atanasov, Mihail; Comba, Peter; Förster, Sebastian; Linti, Gerald; Malcherek, Thomas; Miletich, Ronald; Prikhod'ko, Alexander I.; Wadepohl, Hubert","Tuning of inter- versus intrachain magnetic interactions in cyano-bridged Ni(II)/M(III) (M = Cr, Fe, Co) chain complexes.","Inorganic chemistry","2006","45","19","7722","7735","10.1021/ic060453q","","x-ray","0.71073","MoKα","","0.1027","0.0651","","","0.1654","0.1821","","","","","","1.097","","","","has coordinates,has disorder","239836","2020-10-21","18:00:00",""
"4350320","24.41","0.002","11.5284","0.001","41.176","0.003","90","","90","","90","","11587.3","1.6","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H60 Fe2 K2 N32 Ni2 O8 -","- C36 H44 Fe2 K2 N32 Ni2 O8 -","- C288 H352 Fe16 K16 N256 Ni16 O64 -","8","1","","Atanasov, Mihail; Comba, Peter; Förster, Sebastian; Linti, Gerald; Malcherek, Thomas; Miletich, Ronald; Prikhod'ko, Alexander I.; Wadepohl, Hubert","Tuning of inter- versus intrachain magnetic interactions in cyano-bridged Ni(II)/M(III) (M = Cr, Fe, Co) chain complexes.","Inorganic chemistry","2006","45","19","7722","7735","10.1021/ic060453q","","","0.71073","MoKα","","0.13","0.0554","","","0.1037","0.1209","","","","","","0.77","","","","has coordinates","239836","2020-10-21","18:00:00",""
"4350321","24.2333","0.0013","11.6957","0.0006","41.013","0.002","90","","90","","90","","11624.1","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H66 Fe2 N32 Ni2 O7 Rb2 -","- C36 H52 Fe2 N32 Ni2 O7 Rb2 -","- C288 H416 Fe16 N256 Ni16 O56 Rb16 -","8","1","","Atanasov, Mihail; Comba, Peter; Förster, Sebastian; Linti, Gerald; Malcherek, Thomas; Miletich, Ronald; Prikhod'ko, Alexander I.; Wadepohl, Hubert","Tuning of inter- versus intrachain magnetic interactions in cyano-bridged Ni(II)/M(III) (M = Cr, Fe, Co) chain complexes.","Inorganic chemistry","2006","45","19","7722","7735","10.1021/ic060453q","","x-ray","0.71073","MoKα","","0.084","0.0561","","","0.1419","0.1548","","","","","","1.078","","","","has coordinates","239836","2020-10-21","18:00:00",""
"4350322","24.4696","0.0011","11.7515","0.0006","41.0003","0.0019","90","","90","","90","","11789.8","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H66 Cs2 Fe2 N32 Ni2 O7 -","- C36 H52 Cs2 Fe2 N32 Ni2 O7 -","- C288 H416 Cs16 Fe16 N256 Ni16 O56 -","8","1","","Atanasov, Mihail; Comba, Peter; Förster, Sebastian; Linti, Gerald; Malcherek, Thomas; Miletich, Ronald; Prikhod'ko, Alexander I.; Wadepohl, Hubert","Tuning of inter- versus intrachain magnetic interactions in cyano-bridged Ni(II)/M(III) (M = Cr, Fe, Co) chain complexes.","Inorganic chemistry","2006","45","19","7722","7735","10.1021/ic060453q","","x-ray","0.71073","MoKα","","0.1277","0.074","","","0.1761","0.2034","","","","","","1.078","","","","has coordinates","239836","2020-10-21","18:00:00",""
"4350323","35.06","0.02","35.06","0.02","13.255","0.006","90","","90","","90","","16293","15","298","","298","","","","","","","","","6","I -4","I -4","82","","","","- C50 H44 Cl6 Fe4 N12 O11 -","- C50 H38 Cl6 Fe4 N12 O11 -","- C400 H304 Cl48 Fe32 N96 O88 -","8","1","","Stamatatos, Theocharis C.; Boudalis, Athanassios K.; Sanakis, Yiannis; Raptopoulou, Catherine P.","Reactivity and structural and physical studies of tetranuclear iron(III) clusters containing the [Fe4(mu3-O)2]8+ ""butterfly"" core: an FeIII4 cluster with an S = 1 ground state.","Inorganic chemistry","2006","45","18","7372","7381","10.1021/ic0604821","","","0.71073","MoKα","","0.1342","0.0849","","","0.2238","0.2606","","","","","","1.076","","","","has coordinates","239837","2020-10-21","18:00:00",""
"4350324","22.577","0.007","17.078","0.006","17.394","0.006","90","","93.5","0.01","90","","6694","4","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.5 H51.5 Cl2 Fe4 N16.5 O19 -","- C52.5 H38 Cl2 Fe4 N16.5 O19 -","- C210 H152 Cl8 Fe16 N66 O76 -","4","1","","Stamatatos, Theocharis C.; Boudalis, Athanassios K.; Sanakis, Yiannis; Raptopoulou, Catherine P.","Reactivity and structural and physical studies of tetranuclear iron(III) clusters containing the [Fe4(mu3-O)2]8+ ""butterfly"" core: an FeIII4 cluster with an S = 1 ground state.","Inorganic chemistry","2006","45","18","7372","7381","10.1021/ic0604821","","","0.71073","MoKα","","0.1026","0.0752","","","0.1972","0.2248","","","","","","1.035","","","","has coordinates","239837","2020-10-21","18:00:00",""
"4350325","13.658","0.009","15.815","0.009","17.29","0.01","97.08","0.03","98.55","0.03","112.12","0.03","3355","4","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H47 Cl4 Fe4 N18 O12.5 -","- C50 H42 Cl4 Fe4 N18 O12.5 -","- C100 H84 Cl8 Fe8 N36 O25 -","2","1","","Stamatatos, Theocharis C.; Boudalis, Athanassios K.; Sanakis, Yiannis; Raptopoulou, Catherine P.","Reactivity and structural and physical studies of tetranuclear iron(III) clusters containing the [Fe4(mu3-O)2]8+ ""butterfly"" core: an FeIII4 cluster with an S = 1 ground state.","Inorganic chemistry","2006","45","18","7372","7381","10.1021/ic0604821","","","0.71073","MoKα","","0.1099","0.0793","","","0.2147","0.2592","","","","","","1.062","","","","has coordinates","239837","2020-10-21","18:00:00",""
"4350326","44.371","0.0008","44.371","0.0008","15.5892","0.0004","90","","90","","120","","26579.9","1","183","2","183","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C325 H464 Al18 N18 O36 S12 -","- C325.14 H463.98 Al18 N18 O36 S12 -","- C975.42 H1391.94 Al54 N54 O108 S36 -","3","0.166667","","Löbl, Jiri; Pinkas, Jiri; Roesky, Herbert W.; Plass, Winfried; Görls, Helmar","A supramolecular hexameric ring from alumazene and methylsulfonate.","Inorganic chemistry","2006","45","17","6571","6573","10.1021/ic060490h","","","0.71073","MoKα","","0.1129","0.0744","","","0.1621","0.1907","","","","","","1.085","","","","has coordinates,has disorder","239838","2020-10-21","18:00:00",""
"4350327","11.1395","0.0019","11.408","0.002","11.938","0.002","79.504","0.003","81.005","0.003","70.743","0.003","1400.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 Mo S4 -","- C33 H25 Mo S4 -","- C66 H50 Mo2 S8 -","2","1","","Adams, Harry; Gardner, Hannah C.; McRoy, Richard A.; Morris, Michael J.; Motley, Jeffrey C.; Torker, Sebastian","Heterometallic dithiolene complexes formed by stepwise displacement of cyclopentadienyl ligands from nickelocene with CpMo(S2C2Ph2)2.","Inorganic chemistry","2006","45","26","10967","10975","10.1021/ic0606227","","","0.71073","MoKα","","0.0339","0.0314","","","0.085","0.087","","","","","","1.057","","","","has coordinates","239839","2020-10-21","18:00:00",""
"4350328","14.4954","0.0008","15.5339","0.0009","28.2119","0.0017","93.856","0.001","92.786","0.001","104.451","0.001","6123.5","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H58 Mo2 Ni O S8 -","- C70 H58 Mo2 Ni O S8 -","- C280 H232 Mo8 Ni4 O4 S32 -","4","2","","Adams, Harry; Gardner, Hannah C.; McRoy, Richard A.; Morris, Michael J.; Motley, Jeffrey C.; Torker, Sebastian","Heterometallic dithiolene complexes formed by stepwise displacement of cyclopentadienyl ligands from nickelocene with CpMo(S2C2Ph2)2.","Inorganic chemistry","2006","45","26","10967","10975","10.1021/ic0606227","","","0.71073","MoKα","","0.0723","0.0411","","","0.085","0.0937","","","","","","0.922","","","","has coordinates","239839","2020-10-21","18:00:00",""
"4350329","15.229","0.004","28.544","0.006","7.4346","0.0018","90","","92.086","0.004","90","","3229.7","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Mo Ni S4 -","- C38 H30 Mo Ni S4 -","- C152 H120 Mo4 Ni4 S16 -","4","1","","Adams, Harry; Gardner, Hannah C.; McRoy, Richard A.; Morris, Michael J.; Motley, Jeffrey C.; Torker, Sebastian","Heterometallic dithiolene complexes formed by stepwise displacement of cyclopentadienyl ligands from nickelocene with CpMo(S2C2Ph2)2.","Inorganic chemistry","2006","45","26","10967","10975","10.1021/ic0606227","","","0.71073","MoKα","","0.0643","0.0364","","","0.0743","0.0816","","","","","","0.926","","","","has coordinates","239839","2020-10-21","18:00:00",""
"4350330","9.6186","0.0001","16.4436","0.0001","17.163","0.0002","90","","92.539","0.001","90","","2711.91","0.05","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 F12 Hg N2 P2 S3 -","- C18 H30 F12 Hg N2 P2 S3 -","- C72 H120 F48 Hg4 N8 P8 S12 -","4","1","","Sibert, John W.; Forshee, Philip B.; Lynch, Vincent","Electron transfer vs coordination chemistry: isomer-specific binding of HgII by an ortho-Wurster's thiacrown ether.","Inorganic chemistry","2006","45","16","6108","6110","10.1021/ic060624r","","","0.71073","MoKα","","0.0278","0.0232","","","0.0524","0.0545","","","","","","1.015","","","","has coordinates","239840","2020-10-21","18:00:00",""
"4350331","18.442","0.0011","13.337","0.0009","13.5691","0.0014","90","","99.243","0.006","90","","3294.1","0.5","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","""18,19-Dihydro-8,8-bis(1,4-dioxa-8-azaspiro[4,5]decane)-1-yl- 6(lambda)**5,8(lambda)**5,10(lambda)**5-6,10-nit-rilo-16H,21H- [1,3,5,7,2,4,6]tetrazatriphosphonino[2,1-b:6,7-b']bis[1,3,2]benzoxaza- phosphorine "" by ""Selen Bilge, Þemsay Demiriz, Aytuð Okumuþ, Zeynel Kýlýç, Barýþ Tercan, Tuncer Hökelek, Orhan Büyükgüngör""","","- C30 H40 N7 O6 P3 -","- C30 H40 N7 O6 P3 -","- C120 H160 N28 O24 P12 -","4","1","","Bilge, Selen; Demiriz, Semsay; Okumus, Aytug; Kiliç, Zeynel; Tercan, Baris; Hökelek, Tuncer; Büyükgüngör, Orhan","Phosphorus-nitrogen compounds. Part 13. Syntheses, crystal structures, spectroscopic, stereogenic, and anisochronic properties of novel spiro-ansa-spiro-, spiro-bino-spiro-, and spiro-crypta phosphazene derivatives.","Inorganic chemistry","2006","45","21","8755","8767","10.1021/ic060630n","","","1.54184","CuKα","","0.0684","0.0592","","","0.1394","0.1469","","","","","","1.119","","","","has coordinates","239841","2020-10-21","18:00:00",""
"4350332","8.547","0.0003","21.894","0.0011","26.3773","0.001","90","","90","","90","","4935.9","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","""7,11-(Etane-1,2-diyldioxydi-o-phenylene-dimethylene)-4,4,6,6- tetrachloro-2(lambda)**5, 4(lambda)**5,6(lambda)**5-triphosphaza(6-P**V)- 1,3,5,7,11-pentaaza-spiro[5.5]dodeca-1,3,5-triene "" by ""Selen Bilge, Þemsay Demiriz, Aytuð Okumuþ, Zeynel Kýlýç, Barýþ Tercan, Tuncer Hökelek, Orhan Büyükgüngör""","","- C19 H22 Cl4 N5 O2 P3 -","- C19 H22 Cl4 N5 O2 P3 -","- C152 H176 Cl32 N40 O16 P24 -","8","1","","Bilge, Selen; Demiriz, Semsay; Okumus, Aytug; Kiliç, Zeynel; Tercan, Baris; Hökelek, Tuncer; Büyükgüngör, Orhan","Phosphorus-nitrogen compounds. Part 13. Syntheses, crystal structures, spectroscopic, stereogenic, and anisochronic properties of novel spiro-ansa-spiro-, spiro-bino-spiro-, and spiro-crypta phosphazene derivatives.","Inorganic chemistry","2006","45","21","8755","8767","10.1021/ic060630n","","","0.71073","MoKα","","0.0406","0.0281","","","0.0653","0.0679","","","","","","0.937","","","","has coordinates","239841","2020-10-21","18:00:00",""
"4350333","23.0193","0.0018","23.0193","0.0018","23.0193","0.0018","90","","90","","90","","12197.7","1.7","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C82 H90 N8 Ni38 O48 Pt6 -","- C82 H89.94 N8 Ni38 O48 Pt6 -","- C328 H359.76 N32 Ni152 O192 Pt24 -","4","0.166667","","de Silva, Namal; Dahl, Lawrence F.","Aprotic synthesis and structural determination of the nanosized nonprotonated nu3-octahedral [Pt6Ni38(CO)48]6- hexaanion stabilized as a cubic solvated [NMe4]+ salt.","Inorganic chemistry","2006","45","22","8814","8816","10.1021/ic060648y","","","0.71073","MoKα","","0.0363","0.0301","","","0.073","0.0756","","","","","","1.107","","","","has coordinates","239842","2020-10-21","18:00:00",""
"4350334","47.374","0.005","14.4975","0.0015","22.739","0.002","90","","91.141","0.001","90","","15614","3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H51 K15 O147 P4 W34 Zr -","- K15 O147 P4 W34 Zr -","- K60 O588 P16 W136 Zr4 -","4","0.5","","Kato, Chika Nozaki; Shinohara, Akira; Hayashi, Kunihiko; Nomiya, Kenji","Syntheses and X-ray crystal structures of zirconium(IV) and hafnium(IV) complexes containing monovacant wells-Dawson and Keggin polyoxotungstates.","Inorganic chemistry","2006","45","20","8108","8119","10.1021/ic060656e","","","0.71073","MoKα","","0.0509","0.0458","","","0.1281","0.133","","","","","","1.088","","","","has coordinates","239843","2020-10-21","18:00:00",""
"4350335","47.313","0.016","14.546","0.005","22.827","0.008","90","","91.163","0.007","90","","15707","9","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H38 Hf K16 O141 P4 W34 -","- Hf K16 O141 P4 W34 -","- Hf4 K64 O564 P16 W136 -","4","0.5","","Kato, Chika Nozaki; Shinohara, Akira; Hayashi, Kunihiko; Nomiya, Kenji","Syntheses and X-ray crystal structures of zirconium(IV) and hafnium(IV) complexes containing monovacant wells-Dawson and Keggin polyoxotungstates.","Inorganic chemistry","2006","45","20","8108","8119","10.1021/ic060656e","","","0.71073","MoKα","","0.0879","0.0583","","","0.1371","0.1544","","","","","","1.062","","","","has coordinates","239843","2020-10-21","18:00:00",""
"4350336","21.1348","0.0016","25.5295","0.0019","25.8012","0.0019","118.748","0.001","91.93","0.001","100.877","0.001","11860.3","1.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H134 N10 O85 P2 W22 Zr -","- C16 N4 O85 P2 W22 Zr -","- C64 N16 O340 P8 W88 Zr4 -","4","2","","Kato, Chika Nozaki; Shinohara, Akira; Hayashi, Kunihiko; Nomiya, Kenji","Syntheses and X-ray crystal structures of zirconium(IV) and hafnium(IV) complexes containing monovacant wells-Dawson and Keggin polyoxotungstates.","Inorganic chemistry","2006","45","20","8108","8119","10.1021/ic060656e","","","0.71073","MoKα","","0.216","0.0854","","","0.1923","0.2592","","","","","","0.959","","","","has coordinates","239843","2020-10-21","18:00:00",""
"4350337","21.121","0.003","25.584","0.003","25.835","0.003","118.791","0.002","91.854","0.002","100.936","0.002","11887","3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H124 Hf N10 O80 P2 W22 -","- C16 Hf N4 O80 P2 W22 -","- C64 Hf4 N16 O320 P8 W88 -","4","2","","Kato, Chika Nozaki; Shinohara, Akira; Hayashi, Kunihiko; Nomiya, Kenji","Syntheses and X-ray crystal structures of zirconium(IV) and hafnium(IV) complexes containing monovacant wells-Dawson and Keggin polyoxotungstates.","Inorganic chemistry","2006","45","20","8108","8119","10.1021/ic060656e","","","0.71073","MoKα","","0.1486","0.0799","","","0.2077","0.2549","","","","","","1.035","","","","has coordinates","239843","2020-10-21","18:00:00",""
"4350338","12.638","0.004","14.219","0.005","18.992","0.006","101.182","0.004","92.16","0.005","101.48","0.004","3270.7","1.9","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H29 K6 O70 P Ti4 W10 -","- C8 K6 O70 P Ti4 W10 -","- C16 K12 O140 P2 Ti8 W20 -","2","1","","Hayashi, Kunihiko; Murakami, Hideyuki; Nomiya, Kenji","Novel Ti-O-Ti bonding species constructed in a metal-oxide cluster: reaction products of bis(oxalato)oxotitanate(IV) with the dimeric, 1,2-dititanium(IV)-substituted Keggin polyoxotungstate.","Inorganic chemistry","2006","45","20","8078","8085","10.1021/ic060661i","","","0.71073","MoKα","","0.0806","0.0536","","","0.1398","0.1594","","","","","","1.052","","","","has coordinates","244977","2020-10-21","18:00:00",""
"4350339","21.187","0.006","24.286","0.005","13.22","0.005","90","","90","","90","","6802","4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H59 F28 La N Na O8 -","- C58 H59 F28 La N Na O8 -","- C232 H236 F112 La4 N4 Na4 O32 -","4","1","","Shirotani, Dai; Suzuki, Takayoshi; Kaizaki, Sumio","Novel configurational structures of sodium tetrakis(3-heptafluorobutylryl-(+)-camphorato) Ln(III) complexes with a trapped Na+ by Na+...FC interactions in the solid state and in solution.","Inorganic chemistry","2006","45","16","6111","6113","10.1021/ic0606633","","","0.71069","MoKα","","0.3307","0.0486","","","0.1057","0.1596","","","","","","0.934","","","","has coordinates","239845","2020-10-21","18:00:00",""
"4350340","20.33","0.01","20.33","0.01","26.35","0.02","90","","90","","120","","9432","10","173.1","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C48 H156 As2 Cl6 Cu6 N12 O72 W18 -","- C48 As2 Cl6 Cu6 N12 O72 W18 -","- C144 As6 Cl18 Cu18 N36 O216 W54 -","3","0.166667","","Yamase, Toshihiro; Fukaya, Keisuke; Nojiri, Hiroyuki; Ohshima, Yuhgo","Ferromagnetic exchange interactions for Cu6(12+) and Mn6(12+) hexagons sandwiched by two B-alpha-[XW9O33]9- (X = As(III) and Sb(III)) ligands in D3d-symmetric polyoxotungstates.","Inorganic chemistry","2006","45","19","7698","7704","10.1021/ic060666f","","","0.7107","MoKα","","","0.026","","","","0.083","","","","","","1.012","","","","has coordinates","239846","2020-10-21","18:00:00",""
"4350341","20.15","0.01","20.15","0.01","27.36","0.02","90","","90","","120","","9620","10","173.1","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C48 H156 Cl6 Mn6 N12 O72 Sb2 W18 -","- C48 Cl6 Mn6 N12 O72 Sb2 W18 -","- C144 Cl18 Mn18 N36 O216 Sb6 W54 -","3","0.166667","","Yamase, Toshihiro; Fukaya, Keisuke; Nojiri, Hiroyuki; Ohshima, Yuhgo","Ferromagnetic exchange interactions for Cu6(12+) and Mn6(12+) hexagons sandwiched by two B-alpha-[XW9O33]9- (X = As(III) and Sb(III)) ligands in D3d-symmetric polyoxotungstates.","Inorganic chemistry","2006","45","19","7698","7704","10.1021/ic060666f","","","0.7107","MoKα","","","0.022","","","","0.073","","","","","","1.001","","","","has coordinates","239846","2020-10-21","18:00:00",""
"4350342","10.746","0.005","14.145","0.009","16.575","0.009","90","","101.61","0.02","90","","2468","2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl2 Fe N8 O8 -","- C18 H30 Cl2 Fe N8 O8 -","- C72 H120 Cl8 Fe4 N32 O32 -","4","2","","Bréfuel, Nicolas; Imatomi, Shinya; Torigoe, Haruna; Hagiwara, Hiroaki; Shova, Sergiu; Meunier, Jean-François; Bonhommeau, Sébastien; Tuchagues, Jean-Pierre; Matsumoto, Naohide","Structural-electronic correlation in the first-order phase transition of [FeH2L2-Me](ClO4)2 (H2L2-Me = bis[((2-methylimidazol-4-yl)methylidene)-3- aminopropyl]ethylenediamine).","Inorganic chemistry","2006","45","20","8126","8135","10.1021/ic060674w","","","0.71073","MoKα","","0.1224","0.087","","","0.1975","0.2123","","","","","","1.078","","","","has coordinates","239847","2020-10-21","18:00:00",""
"4350343","11.268","0.003","14.023","0.004","16.443","0.004","90","","98.28","0.01","90","","2571.1","1.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Cl2 Fe N8 O8 -","- C18 H30 Cl2 Fe N8 O8 -","- C72 H120 Cl8 Fe4 N32 O32 -","4","1","","Bréfuel, Nicolas; Imatomi, Shinya; Torigoe, Haruna; Hagiwara, Hiroaki; Shova, Sergiu; Meunier, Jean-François; Bonhommeau, Sébastien; Tuchagues, Jean-Pierre; Matsumoto, Naohide","Structural-electronic correlation in the first-order phase transition of [FeH2L2-Me](ClO4)2 (H2L2-Me = bis[((2-methylimidazol-4-yl)methylidene)-3- aminopropyl]ethylenediamine).","Inorganic chemistry","2006","45","20","8126","8135","10.1021/ic060674w","","","0.71073","MoKα","","0.0574","0.0457","","","0.1215","0.1272","","","","","","1.064","","","","has coordinates","239847","2020-10-21","18:00:00",""
"4350344","7.7119","0.0005","7.7119","0.0005","7.7119","0.0005","90","","90","","90","","458.65","0.05","293","2","293","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","","","","- C2 H20.5 Ge7 N1.5 O21 -","- C2 H4 Ge7 N1.5 O21.04 -","- C2 H4 Ge7 N1.5 O21.04 -","1","0.0416667","","Xu, Yan; Cheng, Liying; You, Wansheng","Hydrothermal synthesis and structural characterizations of two new germanates with a novel topological framework and unusual Ge4(OH)4 cubane.","Inorganic chemistry","2006","45","19","7705","7708","10.1021/ic0606779","","","0.71073","MoKα","","0.0285","0.0229","","","0.049","0.0518","","","","","","1.078","","","","has coordinates,has disorder","239848","2020-10-21","18:00:00",""
"4350345","7.7053","0.0017","7.7053","0.0017","7.7053","0.0017","90","","90","","90","","457.48","0.17","293","2","293","2","","","","","","","","3","P -4 3 m","P -4 2 3","215","","","","- Ge7 H16 O22 -","- Ge7 H4 O22 -","- Ge7 H4 O22 -","1","0.0416667","","Xu, Yan; Cheng, Liying; You, Wansheng","Hydrothermal synthesis and structural characterizations of two new germanates with a novel topological framework and unusual Ge4(OH)4 cubane.","Inorganic chemistry","2006","45","19","7705","7708","10.1021/ic0606779","","","0.71073","MoKα","","0.0253","0.0238","","","0.0559","0.0564","","","","","","1.21","","","","has coordinates","239848","2020-10-21","18:00:00",""
"4350346","19.682","0.003","18.979","0.003","25.052","0.004","90","","98.886","0.004","90","","9246","3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Im)2Fe(OEPO).2THF","","","- C50 H67 Fe N8 O3 -","- C50 H67 Fe N8 O3 -","- C400 H536 Fe8 N64 O24 -","8","2","","Rath, Sankar Prasad; Olmstead, Marilyn M.; Balch, Alan L.","Electron distribution in iron octaethyloxophlorin complexes. Importance of the Fe(III) oxophlorin trianion form in the bis-pyridine and bis-imidazole complexes.","Inorganic chemistry","2006","45","15","6083","6093","10.1021/ic0607033","","","0.71073","MoKα","","0.1053","0.0824","","","0.1625","0.1704","","","","","","1.243","","","","has coordinates,has disorder","239849","2020-10-21","18:00:00",""
"4350347","19.572","0.002","19.194","0.002","25.108","0.003","90","","98.275","0.002","90","","9334","1.8","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(Im)2Fe(OEPO)].1.6CHCl3","","","- C43.6 H52.6 Cl4.8 Fe N8 O -","- C43.6 H52.6 Cl4.8 Fe N8 O -","- C348.8 H420.8 Cl38.4 Fe8 N64 O8 -","8","2","","Rath, Sankar Prasad; Olmstead, Marilyn M.; Balch, Alan L.","Electron distribution in iron octaethyloxophlorin complexes. Importance of the Fe(III) oxophlorin trianion form in the bis-pyridine and bis-imidazole complexes.","Inorganic chemistry","2006","45","15","6083","6093","10.1021/ic0607033","","","0.71073","MoKα","","0.1263","0.0956","","","0.2613","0.3019","","","","","","1.068","","","","has coordinates,has disorder","239850","2020-10-21","18:00:00",""
"4350348","9.8604","0.0012","10.2419","0.0013","10.5271","0.0013","80.329","0.002","90.06","0.003","66.255","0.002","956.5","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","(py)2Fe(OEPO)","","","- C46 H53 Fe N6 O -","- C46 H53 Fe N6 O -","- C46 H53 Fe N6 O -","1","0.5","","Rath, Sankar Prasad; Olmstead, Marilyn M.; Balch, Alan L.","Electron distribution in iron octaethyloxophlorin complexes. Importance of the Fe(III) oxophlorin trianion form in the bis-pyridine and bis-imidazole complexes.","Inorganic chemistry","2006","45","15","6083","6093","10.1021/ic0607033","","","0.71073","MoKα","","0.0739","0.0438","","","0.089","0.1057","","","","","","1.029","","","","has coordinates","239851","2020-10-21","18:00:00",""
"4350349","9.7928","0.0006","10.178","0.0006","10.4503","0.0007","80.465","0.001","89.975","0.001","66.317","0.001","938.17","0.1","10","2","10","2","","","","","","","","5","P -1","-P 1","2","(py)2Fe(OEPO)","","","- C46 H53 Fe N6 O -","- C46 H53 Fe N6 O -","- C46 H53 Fe N6 O -","1","0.5","","Rath, Sankar Prasad; Olmstead, Marilyn M.; Balch, Alan L.","Electron distribution in iron octaethyloxophlorin complexes. Importance of the Fe(III) oxophlorin trianion form in the bis-pyridine and bis-imidazole complexes.","Inorganic chemistry","2006","45","15","6083","6093","10.1021/ic0607033","","","0.71073","MoKα","","0.0467","0.0365","","","0.0869","0.0901","","","","","","1.086","","","","has coordinates","239852","2020-10-21","18:00:00",""
"4350350","7.691","0.004","9.301","0.005","10.775","0.006","103.747","0.01","109.936","0.009","101.172","0.009","671.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 Br N3 O3 Re -","- C10 H11 Br N3 O3 Re -","- C20 H22 Br2 N6 O6 Re2 -","2","1","","Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Nieto, Sonia; Pérez, Julio; Riera, Lucía","Rhenium-mediated coupling of acetonitrile and pyrazoles. New molecular clefts for anion binding.","Inorganic chemistry","2006","45","17","7018","7026","10.1021/ic0607078","","","0.71073","MoKα","","0.034","0.0321","","","0.087","0.0882","","","","","","1.003","","","","has coordinates","239853","2020-10-21","18:00:00",""
"4350351","7.829","0.002","8.585","0.003","12.186","0.005","99.709","0.007","107.179","0.008","108.596","0.005","709.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 Br N3 O3 Re -","- C10 H11 Br N3 O3 Re -","- C20 H22 Br2 N6 O6 Re2 -","2","1","","Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Nieto, Sonia; Pérez, Julio; Riera, Lucía","Rhenium-mediated coupling of acetonitrile and pyrazoles. New molecular clefts for anion binding.","Inorganic chemistry","2006","45","17","7018","7026","10.1021/ic0607078","","","0.71073","MoKα","","0.0352","0.0314","","","0.0807","0.0824","","","","","","1.029","","","","has coordinates","239853","2020-10-21","18:00:00",""
"4350352","8.2464","0.0016","9.2149","0.0018","12.074","0.002","84.399","0.004","87.253","0.004","77.109","0.004","889.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cl N4 O7 Re -","- C12 H14 Cl N4 O7 Re -","- C24 H28 Cl2 N8 O14 Re2 -","2","1","","Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Nieto, Sonia; Pérez, Julio; Riera, Lucía","Rhenium-mediated coupling of acetonitrile and pyrazoles. New molecular clefts for anion binding.","Inorganic chemistry","2006","45","17","7018","7026","10.1021/ic0607078","","","0.71073","MoKα","","0.0385","0.0369","","","0.0989","0.1007","","","","","","1.066","","","","has coordinates","239853","2020-10-21","18:00:00",""
"4350353","13.347","0.004","11.803","0.004","13.944","0.004","90","","107.567","0.006","90","","2094.2","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl N5 O7 Re -","- C15 H19 Cl N5 O7 Re -","- C60 H76 Cl4 N20 O28 Re4 -","4","1","","Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Nieto, Sonia; Pérez, Julio; Riera, Lucía","Rhenium-mediated coupling of acetonitrile and pyrazoles. New molecular clefts for anion binding.","Inorganic chemistry","2006","45","17","7018","7026","10.1021/ic0607078","","","0.71073","MoKα","","0.0353","0.0284","","","0.0765","0.08","","","","","","1.046","","","","has coordinates","239853","2020-10-21","18:00:00",""
"4350354","10.804","0.003","14.493","0.004","19.198","0.005","106.726","0.006","96.428","0.005","98.093","0.004","2813.1","1.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C47.5 H32 B Cl F24 N5 O3 Re -","- C47.5 H32 B Cl F24 N5 O3 Re -","- C95 H64 B2 Cl2 F48 N10 O6 Re2 -","2","1","","Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Nieto, Sonia; Pérez, Julio; Riera, Lucía","Rhenium-mediated coupling of acetonitrile and pyrazoles. New molecular clefts for anion binding.","Inorganic chemistry","2006","45","17","7018","7026","10.1021/ic0607078","","","0.71073","MoKα","","0.1677","0.0789","","","0.136","0.1518","","","","","","1.05","","","","has coordinates","239853","2020-10-21","18:00:00",""
"4350355","31.835","0.008","10.994","0.003","14.058","0.004","90","","110.459","0.005","90","","4610","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 Cl3 N5 O3 Re -","- C16 H21 Cl3 N5 O3 Re -","- C128 H168 Cl24 N40 O24 Re8 -","8","1","","Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Nieto, Sonia; Pérez, Julio; Riera, Lucía","Rhenium-mediated coupling of acetonitrile and pyrazoles. New molecular clefts for anion binding.","Inorganic chemistry","2006","45","17","7018","7026","10.1021/ic0607078","","","0.71073","MoKα","","0.04","0.0336","","","0.0899","0.095","","","","","","1.046","","","","has coordinates","239853","2020-10-21","18:00:00",""
"4350356","10.0066","0.0007","10.5736","0.0008","22.9813","0.0017","90","","90","","90","","2431.6","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Methylcymantrenyldibromoborane","","","- C9 H6 B Br2 Mn O3 -","- C9 H6 B Br2 Mn O3 -","- C72 H48 B8 Br16 Mn8 O24 -","8","1","","Braunschweig, Holger; Kraft, Mario; Schwarz, Silvia; Seeler, Fabian; Stellwag, Sascha","Preparation and structural characterization of transition-metal complexes featuring the cymantrenyl(bromo)boryl ligand.","Inorganic chemistry","2006","45","14","5275","5277","10.1021/ic0607080","","","0.71073","MoKα","","0.0389","0.029","","","0.0626","0.0659","","","","","","1.062","","","","has coordinates","239854","2020-10-21","18:00:00",""
"4350357","8.5509","0.001","15.5135","0.0019","32.237","0.004","90","","90","","90","","4276.4","0.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(bromomethylcymantrenyl)boryl (pentamethylcyclopentadienyldicarbonyl)iron","","","- C20 H19 B Br Fe Mn O5 -","- C20 H19 B Br Fe Mn O5 -","- C160 H152 B8 Br8 Fe8 Mn8 O40 -","8","1","","Braunschweig, Holger; Kraft, Mario; Schwarz, Silvia; Seeler, Fabian; Stellwag, Sascha","Preparation and structural characterization of transition-metal complexes featuring the cymantrenyl(bromo)boryl ligand.","Inorganic chemistry","2006","45","14","5275","5277","10.1021/ic0607080","","","0.71073","MoKα","","0.0511","0.043","","","0.1175","0.1227","","","","","","1.082","","","","has coordinates","239854","2020-10-21","18:00:00",""
"4350358","13.579","0.014","21.12","0.02","28.62","0.03","90","","90","","90","","8208","14","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[2.F][S(NMe2)3]","","","- C46 H54 B2 F N3 O S -","- C46 H54 B2 F N3 O S -","- C368 H432 B16 F8 N24 O8 S8 -","8","1","","Melaïmi, Mohand; Solé, Stéphane; Chiu, Ching-Wen; Wang, Huadong; Gabbaï, François P","Structural and electrochemical investigations of the high fluoride affinity of sterically hindered 1,8-bis(boryl)naphthalenes.","Inorganic chemistry","2006","45","20","8136","8143","10.1021/ic060709s","","","0.71073","MoKα","","0.1384","0.0753","","","0.1528","0.1701","","","","","","1.077","","","","has coordinates,has disorder","239855","2020-10-21","18:00:00",""
"4350359","16.058","0.014","10.799","0.01","17.637","0.016","90","","100.28","0.016","90","","3009","5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-(dimesitylboryl)-8-(1’-bora-9’-oxa-anthryl)-naphthalene","","","- C40 H36 B2 O -","- C40 H36 B2 O -","- C160 H144 B8 O4 -","4","1","","Melaïmi, Mohand; Solé, Stéphane; Chiu, Ching-Wen; Wang, Huadong; Gabbaï, François P","Structural and electrochemical investigations of the high fluoride affinity of sterically hindered 1,8-bis(boryl)naphthalenes.","Inorganic chemistry","2006","45","20","8136","8143","10.1021/ic060709s","","","0.71073","MoKα","","0.076","0.0585","","","0.1746","0.1953","","","","","","1.072","","","","has coordinates","239856","2020-10-21","18:00:00",""
"4350360","21.371","0.004","9.099","0.005","28.513","0.003","90","","108.854","0.011","90","","5247","3","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(NEt4)2[WO{S2C6H2(NHCOCH3)2}2]-2(DMF)","","- C42 H74 N8 O7 S4 W -","- C42 H74 N8 O7 S4 W -","- C168 H296 N32 O28 S16 W4 -","4","0.5","","Baba, Koji; Okamura, Taka-aki; Yamamoto, Hitoshi; Yamamoto, Tetsuo; Ohama, Mitsuo; Ueyama, Norikazu","Dioxotungsten 1,2-benzenedithiolate complex stabilized by NH...S hydrogen bonds.","Inorganic chemistry","2006","45","20","8365","8371","10.1021/ic060719t","","","0.71069","MoKα","","0.2498","0.067","","","0.1665","0.2174","","","","","","1","","","","has coordinates","239857","2020-10-21","18:00:00",""
"4350361","19.75","0.03","20.38","0.03","13.06","0.02","90","","118.24","0.05","90","","4631","12","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(NEt4)2[WO2{S2C6H2(NHCOCH3)2}2]-MeOH","","- C37 H64 N6 O7 S4 W -","- C37 H64 N6 O7 S4 W -","- C148 H256 N24 O28 S16 W4 -","4","0.5","","Baba, Koji; Okamura, Taka-aki; Yamamoto, Hitoshi; Yamamoto, Tetsuo; Ohama, Mitsuo; Ueyama, Norikazu","Dioxotungsten 1,2-benzenedithiolate complex stabilized by NH...S hydrogen bonds.","Inorganic chemistry","2006","45","20","8365","8371","10.1021/ic060719t","","","0.71075","MoKα","","0.0799","0.0442","","","0.0858","0.0906","","","","","","1","","","","has coordinates","239857","2020-10-21","18:00:00",""
"4350362","18.747","0.0008","10.797","0.0005","11.6","0.0005","90","","117.439","0.002","90","","2083.83","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Fe N6 S6 -","- C14 H16 Fe N6 S6 -","- C56 H64 Fe4 N24 S24 -","4","0.5","","Galet, Ana; Gaspar, Ana Belén; Muñoz, M Carmen; Levchenko, Georgii; Real, José Antonio","Pressure effect and crystal structure reinvestigations on the spin crossover system: [Fe(bt)2(NCS)2] (bt = 2,2'-bithiazoline) polymorphs A and B.","Inorganic chemistry","2006","45","24","9670","9679","10.1021/ic060729u","","","0.71073","MoKα","","0.0367","0.0285","","","0.0713","0.0784","","","","","","0.697","","","","has coordinates","239858","2020-10-21","18:00:00",""
"4350363","8.149","0.0004","11.439","0.0005","12.127","0.0006","93.516","0.002","95.411","0.002","107.4","0.002","1069.12","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Fe N6 S6 -","- C14 H16 Fe N6 S6 -","- C28 H32 Fe2 N12 S12 -","2","1","","Galet, Ana; Gaspar, Ana Belén; Muñoz, M Carmen; Levchenko, Georgii; Real, José Antonio","Pressure effect and crystal structure reinvestigations on the spin crossover system: [Fe(bt)2(NCS)2] (bt = 2,2'-bithiazoline) polymorphs A and B.","Inorganic chemistry","2006","45","24","9670","9679","10.1021/ic060729u","","","0.71073","MoKα","","0.0514","0.0392","","","0.097","0.104","","","","","","0.997","","","","has coordinates","239859","2020-10-21","18:00:00",""
"4350364","8.524","0.0004","11.073","0.0006","12.53","0.0008","96.816","0.003","91.811","0.003","106.256","0.002","1124.74","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Fe N6 S6 -","- C14 H16 Fe N6 S6 -","- C28 H32 Fe2 N12 S12 -","2","1","","Galet, Ana; Gaspar, Ana Belén; Muñoz, M Carmen; Levchenko, Georgii; Real, José Antonio","Pressure effect and crystal structure reinvestigations on the spin crossover system: [Fe(bt)2(NCS)2] (bt = 2,2'-bithiazoline) polymorphs A and B.","Inorganic chemistry","2006","45","24","9670","9679","10.1021/ic060729u","","","0.71073","MoKα","","0.1227","0.0569","","","0.1254","0.1614","","","","","","1.06","","","","has coordinates","239860","2020-10-21","18:00:00",""
"4350365","14.493","0.002","12.928","0.002","34.85","0.005","90","","100.344","0.003","90","","6423.6","1.6","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H53 B Cl0.98 Mn0.98 P3 Tl0.02 -","- C27 H53 B Cl0.9832 Mn0.9832 P3 Tl0.0168 -","- C216 H424 B8 Cl7.8656 Mn7.8656 P24 Tl0.1344 -","8","1","","Lu, Connie C.; Peters, Jonas C.","Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].","Inorganic chemistry","2006","45","21","8597","8607","10.1021/ic060735q","","","0.71073","MoKα","","0.0556","0.0422","","","0.072","0.0731","","","","","","1.897","","","","has coordinates,has disorder","239861","2020-10-21","18:00:00",""
"4350366","10.95","0.002","11.718","0.002","13.432","0.003","68","0.003","76.424","0.004","78.528","0.003","1541.5","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H106 B2 Cl2 Mn2 P6 -","- C54 H106 B2 Cl2 Mn2 P6 -","- C54 H106 B2 Cl2 Mn2 P6 -","1","0.5","","Lu, Connie C.; Peters, Jonas C.","Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].","Inorganic chemistry","2006","45","21","8597","8607","10.1021/ic060735q","","","0.71073","MoKα","","0.0502","0.0356","","","0.0674","0.0692","","","","","","1.831","","","","has coordinates,has disorder","239861","2020-10-21","18:00:00",""
"4350367","9.5424","0.0008","9.9006","0.0008","19.668","0.002","89.78","0.001","89.92","0.001","82.662","0.001","1842.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H59 B I Mn P3 -","- C33 H59 B I Mn P3 -","- C66 H118 B2 I2 Mn2 P6 -","2","1","","Lu, Connie C.; Peters, Jonas C.","Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].","Inorganic chemistry","2006","45","21","8597","8607","10.1021/ic060735q","","","0.71073","MoKα","","0.0417","0.0305","","","0.0586","0.0602","","","","","","1.33","","","","has coordinates","239861","2020-10-21","18:00:00",""
"4350368","11.946","0.002","34.586","0.007","15.423","0.003","90","","90","","90","","6372","2","100","","100","","","","","","","","","8","P n c 2","P 2 -2bc","30","","","","- C54 H106 B2 Cl0.36 Mn1.9 N4.63 P6 Tl0.1 -","- C54 H106 B2 Cl0.359 Mn1.899 N4.626 P6 Tl0.101 -","- C216 H424 B8 Cl1.436 Mn7.596 N18.504 P24 Tl0.404 -","4","1","","Lu, Connie C.; Peters, Jonas C.","Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].","Inorganic chemistry","2006","45","21","8597","8607","10.1021/ic060735q","","","0.71073","MoKα","","0.0938","0.0573","","","0.0751","0.0783","","","","","","1.491","","","","has coordinates,has disorder","239861","2020-10-21","18:00:00",""
"4350369","9.412","0.0006","11.8746","0.0008","16.736","0.001","90","","105.605","0.001","90","","1801.5","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H60 B Mn P3 -","- C34 H60 B Mn P3 -","- C68 H120 B2 Mn2 P6 -","2","1","","Lu, Connie C.; Peters, Jonas C.","Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].","Inorganic chemistry","2006","45","21","8597","8607","10.1021/ic060735q","","","0.71073","MoKα","","0.0394","0.0328","","","0.057","0.0578","","","","","","1.526","","","","has coordinates","239861","2020-10-21","18:00:00",""
"4350370","10.69","0.001","11.249","0.001","18.718","0.002","98.393","0.002","101.614","0.002","107.482","0.002","2051","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H71 B Mn N P3 -","- C39 H71 B Mn N P3 -","- C78 H142 B2 Mn2 N2 P6 -","2","1","","Lu, Connie C.; Peters, Jonas C.","Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].","Inorganic chemistry","2006","45","21","8597","8607","10.1021/ic060735q","","","0.71073","MoKα","","0.0701","0.0419","","","0.0694","0.0726","","","","","","1.499","","","","has coordinates,has disorder","239861","2020-10-21","18:00:00",""
"4350371","10.4294","0.0009","16.812","0.001","23.393","0.002","90","","97.476","0.001","90","","4066.8","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 B Mn N P3 -","- C41 H63 B Mn N P3 -","- C164 H252 B4 Mn4 N4 P12 -","4","1","","Lu, Connie C.; Peters, Jonas C.","Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].","Inorganic chemistry","2006","45","21","8597","8607","10.1021/ic060735q","","","0.71073","MoKα","","0.0586","0.0409","","","0.0724","0.0739","","","","","","2.042","","","","has coordinates","239861","2020-10-21","18:00:00",""
"4350372","19.6218","0.0009","77.737","0.004","11.2629","0.0006","90","","90","","90","","17179.8","1.5","98","","98","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C43 H68 B Mn N O0.5 P3 -","- C43.005 H68.011 B Mn N O0.4995 P3 -","- C688.08 H1088.18 B16 Mn16 N16 O7.992 P48 -","16","1","","Lu, Connie C.; Peters, Jonas C.","Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].","Inorganic chemistry","2006","45","21","8597","8607","10.1021/ic060735q","","","0.71073","MoKα","","0.0747","0.0514","","","0.0731","0.0755","","","","","","1.473","","","","has coordinates,has disorder","239861","2020-10-21","18:00:00",""
"4350373","10.2574","0.0005","18.6613","0.0008","19.9243","0.0009","90","","100.59","0.001","90","","3748.9","0.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 B Br Mn O4 P3 Tl -","- C31 H53 B Br Mn O4 P3 Tl -","- C124 H212 B4 Br4 Mn4 O16 P12 Tl4 -","4","1","","Lu, Connie C.; Peters, Jonas C.","Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].","Inorganic chemistry","2006","45","21","8597","8607","10.1021/ic060735q","","","0.71073","MoKα","","0.057","0.0355","","","0.0532","0.0555","","","","","","1.554","","","","has coordinates","239861","2020-10-21","18:00:00",""
"4350374","11.2996","0.0007","17.578","0.001","23.108","0.001","90","","93.66","0.002","90","","4580.5","0.4","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H80 B Mn N3 P3 -","- C42 H80 B Mn N3 P3 -","- C168 H320 B4 Mn4 N12 P12 -","4","1","","Lu, Connie C.; Peters, Jonas C.","Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].","Inorganic chemistry","2006","45","21","8597","8607","10.1021/ic060735q","","","0.71073","MoKα","","0.0784","0.0437","","","0.0707","0.0752","","","","","","1.284","","","","has coordinates","239861","2020-10-21","18:00:00",""
"4350375","10.602","0.003","12.269","0.003","17.484","0.004","81.448","0.005","81.588","0.005","76.562","0.005","2172.6","1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C104 H92 I2 Mn2 N6 O2 -","- C104 H92 I2 Mn2 N6 O2 -","- C104 H92 I2 Mn2 N6 O2 -","1","0.5","","Lu, Connie C.; Peters, Jonas C.","Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].","Inorganic chemistry","2006","45","21","8597","8607","10.1021/ic060735q","","","0.71073","MoKα","","0.1561","0.0892","","","0.1213","0.1304","","","","","","1.282","","","","has coordinates","239861","2020-10-21","18:00:00",""
"4350376","28.0336","0.0012","15.4822","0.0007","18.0718","0.0008","90","","107.83","0.001","90","","7466.8","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H66 B2 F10 O6 P6 U -","- C75 H66 B2 F10 O6 P6 U -","- C300 H264 B8 F40 O24 P24 U4 -","4","1","","Kannan, Shanmugaperumal; Moody, Morgan A.; Barnes, Charles L.; Duval, Paul B.","Fluoride abstraction and reversible photochemical reduction of cationic uranyl(VI) phosphine oxide complexes.","Inorganic chemistry","2006","45","23","9206","9212","10.1021/ic060742e","","","0.71073","MoKα","","0.0962","0.0517","","","0.0977","0.1079","","","","","","0.966","","","","has coordinates","239862","2020-10-21","18:00:00",""
"4350377","13.5921","0.0003","23.736","0.0006","13.6304","0.0003","90","","93.85","","90","","4387.54","0.18","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80 H82 B2 Cl4 F10 O10 P6 U2 -","- C80 H82 B2 Cl4 F10 O10 P6 U2 -","- C160 H164 B4 Cl8 F20 O20 P12 U4 -","2","0.5","","Kannan, Shanmugaperumal; Moody, Morgan A.; Barnes, Charles L.; Duval, Paul B.","Fluoride abstraction and reversible photochemical reduction of cationic uranyl(VI) phosphine oxide complexes.","Inorganic chemistry","2006","45","23","9206","9212","10.1021/ic060742e","","","0.71073","MoKα","","0.0324","0.0249","","","0.0601","0.0637","","","","","","1.025","","","","has coordinates","239863","2020-10-21","18:00:00",""
"4350378","27.3113","0.0011","17.3101","0.0007","22.2874","0.0009","90","","100.515","0.001","90","","10359.7","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C101 H94 B3 F13 O14 P8 U2 -","- C101 H88 B3 F13 O14 P8 U2 -","- C404 H352 B12 F52 O56 P32 U8 -","4","0.5","","Kannan, Shanmugaperumal; Moody, Morgan A.; Barnes, Charles L.; Duval, Paul B.","Fluoride abstraction and reversible photochemical reduction of cationic uranyl(VI) phosphine oxide complexes.","Inorganic chemistry","2006","45","23","9206","9212","10.1021/ic060742e","","","0.71073","MoKα","","0.0562","0.0397","","","0.0892","0.0974","","","","","","1.054","","","","has coordinates","239864","2020-10-21","18:00:00",""
"4350379","15.0785","0.0012","22.4615","0.0018","20.9624","0.0016","90","","92.944","0.001","90","","7090.3","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H69 B2 F8 O9 P5 U -","- C72 H69 B2 F8 O9 P5 U -","- C288 H276 B8 F32 O36 P20 U4 -","4","1","","Kannan, Shanmugaperumal; Moody, Morgan A.; Barnes, Charles L.; Duval, Paul B.","Fluoride abstraction and reversible photochemical reduction of cationic uranyl(VI) phosphine oxide complexes.","Inorganic chemistry","2006","45","23","9206","9212","10.1021/ic060742e","","","0.71073","MoKα","","0.0411","0.0323","","","0.073","0.0767","","","","","","1.035","","","","has coordinates","239865","2020-10-21","18:00:00",""
"4350380","26.312","0.006","11.316","0.002","25.932","0.006","90","","110.907","0.004","90","","7213","3","247","2","247","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Complex 2 (Perez), [Tp4‘Py,MeZn·OH2]ClO4","Hydrotris(3-(4‘-pyridyl)-5-methyl)pyrazolylborate zinc aqua perchlorate","","- C55 H57 B2 Cl2 N18 O12 Zn2 -","- C55 H57 B2 Cl2 N18 O12 Zn2 -","- C220 H228 B8 Cl8 N72 O48 Zn8 -","4","1","","Ibrahim, Mohamed M.; Olmo, Cristina Pérez; Tekeste, Teame; Seebacher, Jan; He, Guosen; Maldonado Calvo, José A; Böhmerle, Karin; Steinfeld, Gunther; Brombacher, Horst; Vahrenkamp, Heinrich","Zn-OH2 and Zn-OH complexes with hydroborate-derived tripod ligands: a comprehensive study.","Inorganic chemistry","2006","45","18","7493","7502","10.1021/ic060752f","","","0.71073","MoKα","","0.1925","0.0808","","","0.1975","0.235","","","","","","0.783","","","","has coordinates","295934","2024-11-15","12:47:25",""
"4350381","11.9562","0.0015","13.4373","0.0017","13.6557","0.0017","116.857","0.002","103.009","0.002","94.37","0.002","1866.7","0.4","203","2","203","2","","","","","","","","8","P -1","-P 1","2","Complex 3 (Böhmerle), Tp(CONHtBu,Me)Zn-OH2","","","- C27.5 H5 B Cl2 D40 N9 O8 Zn -","- C27.5 H5 B Cl2 D40 N9 O8 Zn -","- C55 H10 B2 Cl4 D80 N18 O16 Zn2 -","2","1","","Ibrahim, Mohamed M.; Olmo, Cristina Pérez; Tekeste, Teame; Seebacher, Jan; He, Guosen; Maldonado Calvo, José A; Böhmerle, Karin; Steinfeld, Gunther; Brombacher, Horst; Vahrenkamp, Heinrich","Zn-OH2 and Zn-OH complexes with hydroborate-derived tripod ligands: a comprehensive study.","Inorganic chemistry","2006","45","18","7493","7502","10.1021/ic060752f","","","0.71073","MoKα","","0.1013","0.0622","","","0.1567","0.1798","","","","","","1.06","","","","has coordinates","239866","2020-10-21","18:00:00",""
"4350382","13.249","0.003","14.106","0.003","20.984","0.004","72.788","0.003","87.391","0.003","88.649","0.003","3742","1.4","245","2","245","2","","","","","","","","6","P -1","-P 1","2","Complex 4 (Tekeste), [(Tp(Ph,Me)ZnOH)2]-H-tetraphenylborat","Bis[Hydrotris(3-phenyl-5-methyl-pyrazol-1-yl)borato-zink)]-hydro-Ph4B","","- C84 H78 B3 N12 O2 Zn2 -","- C84 H78 B3 N12 O2 Zn2 -","- C168 H156 B6 N24 O4 Zn4 -","2","1","","Ibrahim, Mohamed M.; Olmo, Cristina Pérez; Tekeste, Teame; Seebacher, Jan; He, Guosen; Maldonado Calvo, José A; Böhmerle, Karin; Steinfeld, Gunther; Brombacher, Horst; Vahrenkamp, Heinrich","Zn-OH2 and Zn-OH complexes with hydroborate-derived tripod ligands: a comprehensive study.","Inorganic chemistry","2006","45","18","7493","7502","10.1021/ic060752f","","","0.71073","MoKα","","0.1075","0.0527","","","0.1345","0.1694","","","","","","0.889","","","","has coordinates","295934","2024-11-15","12:47:25",""
"4350383","20.566","0.003","16.961","0.003","33.994","0.005","90","","92.157","0.004","90","","11849","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Complex 5a (Perez), [(Tp4’Py,Me)2Zn][Tp4‘Py,MeZn-OH]2","Bis ( hydrotris ( 3-( 4‘-pyridyl )-5-methyl )pyrazolylborate )-zinc-bis","","- C55.5 H53 B2 Cl3.5 N18 O2 Zn1.5 -","- C55.5 H53 B2 Cl3.5 N18 O2 Zn1.5 -","- C444 H424 B16 Cl28 N144 O16 Zn12 -","8","1","","Ibrahim, Mohamed M.; Olmo, Cristina Pérez; Tekeste, Teame; Seebacher, Jan; He, Guosen; Maldonado Calvo, José A; Böhmerle, Karin; Steinfeld, Gunther; Brombacher, Horst; Vahrenkamp, Heinrich","Zn-OH2 and Zn-OH complexes with hydroborate-derived tripod ligands: a comprehensive study.","Inorganic chemistry","2006","45","18","7493","7502","10.1021/ic060752f","","","0.71073","MoKα","","0.1429","0.0601","","","0.1717","0.2109","","","","","","0.946","","","","has coordinates","295934","2024-11-15","12:47:25",""
"4350384","15.018","0.004","15.018","0.004","19.752","0.007","90","","90","","120","","3858","2","217","2","217","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","Complex 8 (Seebacher), Tt(Tol)Zn-OH","","","- C11 H9.33 B0.33 N2 O1.33 S Zn0.33 -","- C11 H9.33333 B0.333333 N2 O1.33333 S Zn0.333333 -","- C132 H112 B4 N24 O16 S12 Zn4 -","12","1","","Ibrahim, Mohamed M.; Olmo, Cristina Pérez; Tekeste, Teame; Seebacher, Jan; He, Guosen; Maldonado Calvo, José A; Böhmerle, Karin; Steinfeld, Gunther; Brombacher, Horst; Vahrenkamp, Heinrich","Zn-OH2 and Zn-OH complexes with hydroborate-derived tripod ligands: a comprehensive study.","Inorganic chemistry","2006","45","18","7493","7502","10.1021/ic060752f","","","0.71073","MoKα","","0.1969","0.0901","","","0.2434","0.2998","","","","","","0.953","","","","has coordinates","239866","2020-10-21","18:00:00",""
"4350385","24.576","0.004","14.463","0.002","22.823","0.004","90","","100.554","0.003","90","","7975","2","203","2","203","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Complex 9 (Tekeste), [(Tp(Ph,Me)Zn)2]-OH-tetraphenylborat","Bis[Hydrotris(3-phenyl-5-methyl-pyrazol-1-yl)borato-zink]-Hydroxid-ph4B","","- C90 H88 B3 N12 O3 Zn2 -","- C90 H88 B3 N12 O3 Zn2 -","- C360 H352 B12 N48 O12 Zn8 -","4","1","","Ibrahim, Mohamed M.; Olmo, Cristina Pérez; Tekeste, Teame; Seebacher, Jan; He, Guosen; Maldonado Calvo, José A; Böhmerle, Karin; Steinfeld, Gunther; Brombacher, Horst; Vahrenkamp, Heinrich","Zn-OH2 and Zn-OH complexes with hydroborate-derived tripod ligands: a comprehensive study.","Inorganic chemistry","2006","45","18","7493","7502","10.1021/ic060752f","","","0.71073","MoKα","","0.0933","0.0466","","","0.1105","0.136","","","","","","1.012","","","","has coordinates","295934","2024-11-15","12:47:25",""
"4350386","11.786","0.002","11.786","0.002","31.507","0.008","90","","90","","120","","3790.3","1.3","247","2","247","2","","","","","","","","7","R 3 :H","R 3","146","complex 10 (Maldonado) [(TpFu,MeZn)2(OH)](ClO4)","Bis(hydrotris(3-(2’-furyl)-5-methylpyrazol-1-yl)borate zinc) hydroxyde","","- C48 H45 B2 Cl N12 O11 Zn2 -","- C48 H44 B2 Cl N12 O10.99 Zn2 -","- C144 H132 B6 Cl3 N36 O32.97 Zn6 -","3","0.333333","","Ibrahim, Mohamed M.; Olmo, Cristina Pérez; Tekeste, Teame; Seebacher, Jan; He, Guosen; Maldonado Calvo, José A; Böhmerle, Karin; Steinfeld, Gunther; Brombacher, Horst; Vahrenkamp, Heinrich","Zn-OH2 and Zn-OH complexes with hydroborate-derived tripod ligands: a comprehensive study.","Inorganic chemistry","2006","45","18","7493","7502","10.1021/ic060752f","","","0.71073","MoKα","","0.095","0.0576","","","0.1462","0.1816","","","","","","1.129","","","","has coordinates,has disorder","295934","2024-11-15","12:47:25",""
"4350387","44.4","0.02","17.703","0.008","19.403","0.009","90","","110.614","0.013","90","","14275","11","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Complex 11 (Perez) [(TpPha,MeZn)2(OH)](ClO4)","Bis(hydrotris(3-N-phenylcarboxamide-5-methyl-pyrazol-1-yl)borate zinc)hydroxide","","- C66 H63 B2 Cl N18 O11 Zn2 -","- C66 H63 B2 Cl N18 O11 Zn2 -","- C528 H504 B16 Cl8 N144 O88 Zn16 -","8","1","","Ibrahim, Mohamed M.; Olmo, Cristina Pérez; Tekeste, Teame; Seebacher, Jan; He, Guosen; Maldonado Calvo, José A; Böhmerle, Karin; Steinfeld, Gunther; Brombacher, Horst; Vahrenkamp, Heinrich","Zn-OH2 and Zn-OH complexes with hydroborate-derived tripod ligands: a comprehensive study.","Inorganic chemistry","2006","45","18","7493","7502","10.1021/ic060752f","","","0.71073","MoKα","","0.2529","0.0958","","","0.2458","0.2723","","","","","","0.961","","","","has coordinates","295934","2024-11-15","12:47:25",""
"4350388","17.226","0.003","19.432","0.003","24.621","0.004","90","","99.099","0.003","90","","8138","2","243","2","243","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Complex 12 (He), (NS2)Zn-OH-Zn(NS2)","","","- C64 H64 B2 Cl2 N12 O8 S4 Zn2 -","- C67 H67 B2 Cl10 N12 O5 S4 Zn2 -","- C268 H268 B8 Cl40 N48 O20 S16 Zn8 -","4","1","","Ibrahim, Mohamed M.; Olmo, Cristina Pérez; Tekeste, Teame; Seebacher, Jan; He, Guosen; Maldonado Calvo, José A; Böhmerle, Karin; Steinfeld, Gunther; Brombacher, Horst; Vahrenkamp, Heinrich","Zn-OH2 and Zn-OH complexes with hydroborate-derived tripod ligands: a comprehensive study.","Inorganic chemistry","2006","45","18","7493","7502","10.1021/ic060752f","","","0.71073","MoKα","","0.2344","0.0996","","","0.2623","0.3696","","","","","","1.014","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4350389","16.386","0.003","19.856","0.004","24.187","0.004","90","","104.803","0.004","90","","7608","2","233","2","233","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Complex 13 (Ibrahim), (S3-Xyl)Zn-OH-Zn(S3-Xyl)","","","- C272 H306 B8 Cl4 N48 O28 S24 Zn8 -","- C272 H306 B8 Cl4 N48 O28 S24 Zn8 -","- C272 H306 B8 Cl4 N48 O28 S24 Zn8 -","1","0.25","","Ibrahim, Mohamed M.; Olmo, Cristina Pérez; Tekeste, Teame; Seebacher, Jan; He, Guosen; Maldonado Calvo, José A; Böhmerle, Karin; Steinfeld, Gunther; Brombacher, Horst; Vahrenkamp, Heinrich","Zn-OH2 and Zn-OH complexes with hydroborate-derived tripod ligands: a comprehensive study.","Inorganic chemistry","2006","45","18","7493","7502","10.1021/ic060752f","","","0.71073","MoKα","","0.2597","0.0766","","","0.1888","0.2689","","","","","","0.882","","","","has coordinates,has disorder","239866","2020-10-21","18:00:00",""
"4350390","14.465","0.002","14.722","0.002","14.797","0.002","82.669","0.003","73.227","0.003","87.355","0.003","2992.2","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","Complex 14 (Ibrahim), (S3-iPr)Zn-OH-Zn(S3-iPr)","","","- C94 H115 B2 Cl7 N12 O6 S6 Zn2 -","- C94 H115 B2 Cl7 N12 O6 S6 Zn2 -","- C94 H115 B2 Cl7 N12 O6 S6 Zn2 -","1","0.5","","Ibrahim, Mohamed M.; Olmo, Cristina Pérez; Tekeste, Teame; Seebacher, Jan; He, Guosen; Maldonado Calvo, José A; Böhmerle, Karin; Steinfeld, Gunther; Brombacher, Horst; Vahrenkamp, Heinrich","Zn-OH2 and Zn-OH complexes with hydroborate-derived tripod ligands: a comprehensive study.","Inorganic chemistry","2006","45","18","7493","7502","10.1021/ic060752f","","","0.71073","MoKα","","0.1729","0.082","","","0.2346","0.2881","","","","","","0.9","","","","has coordinates,has disorder","239866","2020-10-21","18:00:00",""
"4350391","7.0479","0.001","15.307","0.002","17.537","0.003","90","","90","","90","","1891.9","0.5","298","2","298","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C10 H26 N2 O15.5 P2 V2 -","- C10 H25 N2 O15 P2 V2 -","- C40 H100 N8 O60 P8 V8 -","4","0.5","","Zhang, Xian-Ming; Hou, Juan-Juan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two mixed-valence vanadium(III,IV) phosphonoacetates with 16-ring channels: H2(DABCO)[V(IV)O(H2O)V(III)(OH)(O3PCH2CO2)2].2.5H2O and H2(PIP)[V(IVO)(H2O)V(III)(OH)(O3PCH2CO2)2].2.5H2O.","Inorganic chemistry","2006","45","20","8120","8125","10.1021/ic060771p","","","0.71073","MoKα","","0.0586","0.0549","","","0.1309","0.1333","","","","","","1.1","","","","has coordinates","239867","2020-10-21","18:00:00",""
"4350392","7.0465","0.0009","15.646","0.002","17.396","0.002","90","","90","","90","","1917.9","0.4","298","2","298","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C8 H22 N2 O15.5 P2 V2 -","- C8 H16 N2 O15 P2 V2 -","- C32 H64 N8 O60 P8 V8 -","4","0.5","","Zhang, Xian-Ming; Hou, Juan-Juan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two mixed-valence vanadium(III,IV) phosphonoacetates with 16-ring channels: H2(DABCO)[V(IV)O(H2O)V(III)(OH)(O3PCH2CO2)2].2.5H2O and H2(PIP)[V(IVO)(H2O)V(III)(OH)(O3PCH2CO2)2].2.5H2O.","Inorganic chemistry","2006","45","20","8120","8125","10.1021/ic060771p","","","0.71073","MoKα","","0.1083","0.0799","","","0.202","0.2288","","","","","","0.978","","","","has coordinates,has disorder","239867","2020-10-21","18:00:00",""
"4350393","15.91","0.006","19.772","0.008","20.594","0.008","78.283","0.006","73.745","0.006","71.742","0.007","5859","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H67 Cu6 N12 O82 Pt7 -","- C88 H67 Cu6 N12 O82 Pt7 -","- C176 H134 Cu12 N24 O164 Pt14 -","2","1","","Yamamoto, Chihiro; Nishikawa, Hiroyuki; Nihei, Masayuki; Shiga, Takuya; Hedo, Masato; Uwatoko, Yoshiya; Sawa, Hiroshi; Kitagawa, Hiroshi; Taguchi, Yasujiro; Iwasa, Yoshihiro; Oshio, Hiroki","Electrical conducting bis(oxalato)platinate complex with direct connection of CuII ions.","Inorganic chemistry","2006","45","25","10270","10276","10.1021/ic0607742","","","0.71073","MoKα","","0.0582","0.0427","","","0.1004","0.1066","","","","","","0.949","","","","has coordinates","239868","2020-10-21","18:00:00",""
"4350394","14.58","0.003","25.614","0.006","22.27","0.005","90","","99.109","0.004","90","","8212","3","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Cu4 N8 O58 Pt5 -","- C60 H44 Cu4 N8 O58 Pt5 -","- C240 H176 Cu16 N32 O232 Pt20 -","4","0.5","","Yamamoto, Chihiro; Nishikawa, Hiroyuki; Nihei, Masayuki; Shiga, Takuya; Hedo, Masato; Uwatoko, Yoshiya; Sawa, Hiroshi; Kitagawa, Hiroshi; Taguchi, Yasujiro; Iwasa, Yoshihiro; Oshio, Hiroki","Electrical conducting bis(oxalato)platinate complex with direct connection of CuII ions.","Inorganic chemistry","2006","45","25","10270","10276","10.1021/ic0607742","","","0.71073","MoKα","","0.0721","0.0439","","","0.0891","0.1099","","","","","","1.045","","","","has coordinates","239868","2020-10-21","18:00:00",""
"4350395","14.805","0.005","14.895","0.005","18.492","0.006","74.914","0.005","73.19","0.006","71.56","0.005","3639","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H80 Ce N8 Na5 O10 S8 -","- C56 H80 Ce N8 Na5 O10 S8 -","- C112 H160 Ce2 N16 Na10 O20 S16 -","2","1","","Weis, Eric M.; Barnes, Charles L.; Duval, Paul B.","[Na5(THF)10Ce(mnt)4]infinity: a honeycomb network polymer that yields homoleptic cerium(III) tetrakis(dithiolene) complexes in donor solvents.","Inorganic chemistry","2006","45","25","10126","10130","10.1021/ic060779z","","","0.71073","MoKα","","0.1602","0.0871","","","0.2017","0.2476","","","","","","1.001","","","","has coordinates","239869","2020-10-21","18:00:00",""
"4350396","14.36","0.006","14.339","0.006","17.123","0.007","90","","107.46","0.006","90","","3363","2","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 Cl5 Ir N5 -","- C36 H31 Cl5 Ir N5 -","- C144 H124 Cl20 Ir4 N20 -","4","1","","Obara, Shinya; Itabashi, Masumi; Okuda, Fumio; Tamaki, Satoru; Tanabe, Yoshiaki; Ishii, Youichi; Nozaki, Koichi; Haga, Masa-Aki","Highly phosphorescent iridium complexes containing both tridentate bis(benzimidazolyl)-benzene or -pyridine and bidentate phenylpyridine: synthesis, photophysical properties, and theoretical study of Ir-bis(benzimidazolyl)benzene complex.","Inorganic chemistry","2006","45","22","8907","8921","10.1021/ic060796o","","","0.7107","MoKα","","","0.055","","","","0.056","","","","","","1.002","","","","has coordinates","239870","2020-10-21","18:00:00",""
"4350397","26.59","0.03","10.362","0.011","29.29","0.03","90","","99.76","0.04","90","","7953","15","123.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 F3 Ir N6 O3 S -","- C46 H32 F3 Ir N6 O3 S -","- C368 H256 F24 Ir8 N48 O24 S8 -","8","1","","Obara, Shinya; Itabashi, Masumi; Okuda, Fumio; Tamaki, Satoru; Tanabe, Yoshiaki; Ishii, Youichi; Nozaki, Koichi; Haga, Masa-Aki","Highly phosphorescent iridium complexes containing both tridentate bis(benzimidazolyl)-benzene or -pyridine and bidentate phenylpyridine: synthesis, photophysical properties, and theoretical study of Ir-bis(benzimidazolyl)benzene complex.","Inorganic chemistry","2006","45","22","8907","8921","10.1021/ic060796o","","","0.7107","MoKα","","","0.048","","","","0.05","","","","","","1","","","","has coordinates","239871","2020-10-21","18:00:00",""
"4350398","8.94","0.02","13.21","0.02","16.71","0.03","78.19","0.08","79.99","0.11","82.88","0.09","1894","6","123.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H38 F3 Ir N6 O4 S -","- C40 H38 F3 Ir N6 O4 S -","- C80 H76 F6 Ir2 N12 O8 S2 -","2","1","","Obara, Shinya; Itabashi, Masumi; Okuda, Fumio; Tamaki, Satoru; Tanabe, Yoshiaki; Ishii, Youichi; Nozaki, Koichi; Haga, Masa-Aki","Highly phosphorescent iridium complexes containing both tridentate bis(benzimidazolyl)-benzene or -pyridine and bidentate phenylpyridine: synthesis, photophysical properties, and theoretical study of Ir-bis(benzimidazolyl)benzene complex.","Inorganic chemistry","2006","45","22","8907","8921","10.1021/ic060796o","","","0.7107","MoKα","","","0.04","","","","0.041","","","","","","1","","","","has coordinates","239872","2020-10-21","18:00:00",""
"4350399","11.156","0.002","16.503","0.003","21.44","0.004","90","","102.924","0.003","90","","3847.3","1.2","123.1","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl F6 Ir N8 O0.5 P -","- C37.58 H35.5 Cl F6 Ir N8 O0.88 P -","- C150.32 H142 Cl4 F24 Ir4 N32 O3.52 P4 -","4","1","","Obara, Shinya; Itabashi, Masumi; Okuda, Fumio; Tamaki, Satoru; Tanabe, Yoshiaki; Ishii, Youichi; Nozaki, Koichi; Haga, Masa-Aki","Highly phosphorescent iridium complexes containing both tridentate bis(benzimidazolyl)-benzene or -pyridine and bidentate phenylpyridine: synthesis, photophysical properties, and theoretical study of Ir-bis(benzimidazolyl)benzene complex.","Inorganic chemistry","2006","45","22","8907","8921","10.1021/ic060796o","","","0.7107","MoKα","","","0.031","","","","0.033","","","","","","1","","","","has coordinates","239873","2020-10-21","18:00:00",""
"4350400","10.53","0.02","20.44","0.03","18.15","0.05","90","","99.04","0.06","90","","3858","14","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H43 Cl Ir N5 -","- C49 H43 Cl Ir N5 -","- C196 H172 Cl4 Ir4 N20 -","4","1","","Obara, Shinya; Itabashi, Masumi; Okuda, Fumio; Tamaki, Satoru; Tanabe, Yoshiaki; Ishii, Youichi; Nozaki, Koichi; Haga, Masa-Aki","Highly phosphorescent iridium complexes containing both tridentate bis(benzimidazolyl)-benzene or -pyridine and bidentate phenylpyridine: synthesis, photophysical properties, and theoretical study of Ir-bis(benzimidazolyl)benzene complex.","Inorganic chemistry","2006","45","22","8907","8921","10.1021/ic060796o","","","0.7107","MoKα","","","0.062","","","","0.066","","","","","","1","","","","has coordinates","239875","2020-10-21","18:00:00",""
"4350401","11.073","0.003","10.213","0.003","11.57","0.004","90","","112.341","0.013","90","","1210.2","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Co N2 S2 -","- C10 H8 Co N2 S2 -","- C40 H32 Co4 N8 S8 -","4","0.5","","Han, Lei; Bu, Xianhui; Zhang, Qichun; Feng, Pingyun","Solvothermal in situ ligand synthesis through disulfide cleavage: 3D (3,4)-connected and 2D square-grid-type coordination polymers.","Inorganic chemistry","2006","45","15","5736","5738","10.1021/ic0608041","","","0.71073","MoKα","","0.1027","0.0594","","","0.1455","0.1706","","","","","","1.044","","","","has coordinates","239876","2020-10-21","18:00:00",""
"4350402","18.2915","0.0006","10.642","0.0003","11.5508","0.0004","90","","129.16","","90","","1743.42","0.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Cu3 N3 S3 -","- C15 H12 Cu3 N3 S3 -","- C60 H48 Cu12 N12 S12 -","4","0.5","","Han, Lei; Bu, Xianhui; Zhang, Qichun; Feng, Pingyun","Solvothermal in situ ligand synthesis through disulfide cleavage: 3D (3,4)-connected and 2D square-grid-type coordination polymers.","Inorganic chemistry","2006","45","15","5736","5738","10.1021/ic0608041","","","0.71073","MoKα","","0.0668","0.0348","","","0.0526","0.0579","","","","","","0.712","","","","has coordinates","239877","2020-10-21","18:00:00",""
"4350403","14.015","0.003","7.944","0.002","17.615","0.004","90","","102.05","0.02","90","","1918","0.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(tris-succinate)-bis(aquo-praseodymium(III)) hemihydrated","","- C12 H17 O14.5 Pr2 -","- C12 H17 O14.5 Pr2 -","- C48 H68 O58 Pr8 -","4","0.5","","Manna, Subal Chandra; Zangrando, Ennio; Bencini, Alessandro; Benelli, Cristiano; Chaudhuri, Nirmalendu Ray","Syntheses, crystal structures, and magnetic properties of [Ln(III)2(Succinate)3(H2O)2].0.5H2O [Ln = Pr, Nd, Sm, Eu, Gd, and Dy] polymeric networks: unusual ferromagnetic coupling in Gd derivative.","Inorganic chemistry","2006","45","22","9114","9122","10.1021/ic060807d","","","0.71073","Mokα","","0.0342","0.0304","","","0.0894","0.0911","","","","","","1.149","","","","has coordinates","239878","2020-10-21","18:00:00",""
"4350404","13.981","0.003","7.91","0.002","17.561","0.004","90","","101.71","0.02","90","","1901.6","0.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(tris-succinate)-bis(aquo-neodymium(III)) hemihydrated","","- C12 H17 Nd2 O14.5 -","- C12 H17 Nd2 O14.5 -","- C48 H68 Nd8 O58 -","4","0.5","","Manna, Subal Chandra; Zangrando, Ennio; Bencini, Alessandro; Benelli, Cristiano; Chaudhuri, Nirmalendu Ray","Syntheses, crystal structures, and magnetic properties of [Ln(III)2(Succinate)3(H2O)2].0.5H2O [Ln = Pr, Nd, Sm, Eu, Gd, and Dy] polymeric networks: unusual ferromagnetic coupling in Gd derivative.","Inorganic chemistry","2006","45","22","9114","9122","10.1021/ic060807d","","","0.71073","Mokα","","0.0579","0.0518","","","0.1526","0.1562","","","","","","1.159","","","","has coordinates","239878","2020-10-21","18:00:00",""
"4350405","13.919","0.003","7.842","0.002","17.457","0.004","90","","101.15","0.03","90","","1869.5","0.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","catena-bisaquo-tris-succinate-disamarium(III) hemihydrated","","- C12 H17 O14.5 Sm2 -","- C12 H17 O14.5 Sm2 -","- C48 H68 O58 Sm8 -","4","0.5","","Manna, Subal Chandra; Zangrando, Ennio; Bencini, Alessandro; Benelli, Cristiano; Chaudhuri, Nirmalendu Ray","Syntheses, crystal structures, and magnetic properties of [Ln(III)2(Succinate)3(H2O)2].0.5H2O [Ln = Pr, Nd, Sm, Eu, Gd, and Dy] polymeric networks: unusual ferromagnetic coupling in Gd derivative.","Inorganic chemistry","2006","45","22","9114","9122","10.1021/ic060807d","","","0.71073","MoKα","","0.0364","0.0291","","","0.0776","0.0932","","","","","","1.062","","","","has coordinates","239878","2020-10-21","18:00:00",""
"4350406","13.894","0.004","7.809","0.002","17.421","0.006","90","","101.04","0.02","90","","1855.2","1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(tris-succinate)-bis(aquo-europium(III)) hemihydrated","","- C12 H17 Eu2 O14.5 -","- C12 H17 Eu2 O14.5 -","- C48 H68 Eu8 O58 -","4","0.5","","Manna, Subal Chandra; Zangrando, Ennio; Bencini, Alessandro; Benelli, Cristiano; Chaudhuri, Nirmalendu Ray","Syntheses, crystal structures, and magnetic properties of [Ln(III)2(Succinate)3(H2O)2].0.5H2O [Ln = Pr, Nd, Sm, Eu, Gd, and Dy] polymeric networks: unusual ferromagnetic coupling in Gd derivative.","Inorganic chemistry","2006","45","22","9114","9122","10.1021/ic060807d","","","0.71073","Mokα","","0.0313","0.0278","","","0.0714","0.0731","","","","","","0.996","","","","has coordinates","239878","2020-10-21","18:00:00",""
"4350407","13.865","0.004","7.787","0.002","17.381","0.003","90","","101.02","0.02","90","","1842","0.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(tris-succinate)-bis(aquo-gadolinium(III)) hemihydrated","","- C12 H17 Gd2 O14.5 -","- C12 H17 Gd2 O14.5 -","- C48 H68 Gd8 O58 -","4","0.5","","Manna, Subal Chandra; Zangrando, Ennio; Bencini, Alessandro; Benelli, Cristiano; Chaudhuri, Nirmalendu Ray","Syntheses, crystal structures, and magnetic properties of [Ln(III)2(Succinate)3(H2O)2].0.5H2O [Ln = Pr, Nd, Sm, Eu, Gd, and Dy] polymeric networks: unusual ferromagnetic coupling in Gd derivative.","Inorganic chemistry","2006","45","22","9114","9122","10.1021/ic060807d","","","0.71073","Mokα","","0.0362","0.03","","","0.0694","0.0711","","","","","","1.012","","","","has coordinates","239878","2020-10-21","18:00:00",""
"4350408","13.825","0.002","7.718","0.0007","17.321","0.003","90","","101.02","0.02","90","","1814.1","0.5","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(tris-succinate)-bis(aquo-dysprosium(III)) hemihydrated","","- C12 H17 Dy2 O14.5 -","- C12 H17 Dy2 O14.5 -","- C48 H68 Dy8 O58 -","4","0.5","","Manna, Subal Chandra; Zangrando, Ennio; Bencini, Alessandro; Benelli, Cristiano; Chaudhuri, Nirmalendu Ray","Syntheses, crystal structures, and magnetic properties of [Ln(III)2(Succinate)3(H2O)2].0.5H2O [Ln = Pr, Nd, Sm, Eu, Gd, and Dy] polymeric networks: unusual ferromagnetic coupling in Gd derivative.","Inorganic chemistry","2006","45","22","9114","9122","10.1021/ic060807d","","","0.71073","Mokα","","0.0293","0.0281","","","0.079","0.0798","","","","","","1.12","","","","has coordinates","239878","2020-10-21","18:00:00",""
"4350409","12.355","0.003","13.418","0.003","13.574","0.003","80.628","0.006","88.203","0.007","76.681","0.006","2160.5","0.9","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H44 Cl2 N6 O12 Zn -","- C46 H44 Cl2 N6 O12 Zn -","- C92 H88 Cl4 N12 O24 Zn2 -","2","1","","Mikata, Yuji; Wakamatsu, Motoko; Kawamura, Ayano; Yamanaka, Natsuko; Yano, Shigenobu; Odani, Akira; Morihiro, Kazuko; Tamotsu, Satoshi","Methoxy-substituted TQEN family of fluorescent zinc sensors.","Inorganic chemistry","2006","45","23","9262","9268","10.1021/ic060810x","","","0.7107","MoKalpha","","","0.054","","","","0.167","","","","","","1.072","","","","has coordinates","239879","2020-10-21","18:00:00",""
"4350410","12.6761","0.0005","12.748","0.0005","24.158","0.0011","90","","95.677","0.002","90","","3884.7","0.3","173.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 N6 O4 -","- C46 H44 N6 O4 -","- C184 H176 N24 O16 -","4","0.5","","Mikata, Yuji; Wakamatsu, Motoko; Kawamura, Ayano; Yamanaka, Natsuko; Yano, Shigenobu; Odani, Akira; Morihiro, Kazuko; Tamotsu, Satoshi","Methoxy-substituted TQEN family of fluorescent zinc sensors.","Inorganic chemistry","2006","45","23","9262","9268","10.1021/ic060810x","","","0.7107","MoKalpha","","","0.052","","","","0.118","","","","","","1.054","","","","has coordinates","239879","2020-10-21","18:00:00",""
"4350411","8.803","0.001","8.803","0.001","25.292","0.002","90","","90","","120","","1697.4","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C5 H30 Fe3 N3 O21 P6 -","- C5 H6 Fe3 N3.02 O21 P6 -","- C15 H18 Fe9 N9.06 O63 P18 -","3","0.166667","","Chung, U-Chan; Mesa, José L; Pizarro, José L; Fernandez, Jesús Rodríguez; Marcos, Jorge Sanchez; Garitaonandia, José S; Arriortua, María I; Rojo, Teófilo","Structural, thermal, spectroscopic, specific-heat, and magnetic studies of (C5H18N3)[Fe3(HPO3)6].3H2O: a new organically templated iron(III) phosphite with a pillared structure formed by the interpenetration of two subnets.","Inorganic chemistry","2006","45","22","8965","8972","10.1021/ic060815u","","","0.71073","MoKα","","0.0715","0.0349","","","0.0674","0.0768","","","","","","0.98","","","","has coordinates","239880","2020-10-21","18:00:00",""
"4350412","10.0652","0.0001","24.947","0.003","14.107","0.003","90","","107.049","0.01","90","","3386.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H33 Cl Cu N4 O7 -","- C39 H33 Cl Cu N4 O7 -","- C156 H132 Cl4 Cu4 N16 O28 -","4","1","","Mandal, Debashree; Wu, A-Qing; Guo, Guo-Cong; Ray, Debashis","Copper complex of an iminodioxabicyclo[3.3.1]nonane pendant ligand: the first example of iminodioxocin bridgehead nitrogen coordination.","Inorganic chemistry","2006","45","22","8826","8828","10.1021/ic060833b","","","0.71073","MoKα","","0.1241","0.0595","","","0.1021","0.1295","","","","","","0.994","","","","has coordinates","239881","2020-10-21","18:00:00",""
"4350413","30.819","0.01","15.113","0.002","34.771","0.011","90","","109.79","0.03","90","","15239","8","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C145 H151 Ce2 Cl9 N34 O27 -","- C145 H126 Ce2 Cl9 N34 O27 -","- C580 H504 Ce8 Cl36 N136 O108 -","4","1","","Jensen, Thomas B.; Scopelliti, Rosario; Bünzli, Jean-Claude G","Lanthanide triple-stranded helicates: controlling the yield of the heterobimetallic species.","Inorganic chemistry","2006","45","19","7806","7814","10.1021/ic0608501","","","0.7107","MoKα","","0.2465","0.1175","","","0.2981","0.3923","","","","","","0.927","","","","has coordinates,has disorder","239882","2020-10-21","18:00:00",""
"4350414","15.0272","0.0013","19.214","0.002","30.105","0.002","103.871","0.008","101.424","0.007","95.75","0.008","8171.4","1.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C153 H164 Cl9 N37 O27 Pr2 -","- C153 H126 Cl9 N37 O27 Pr2 -","- C306 H252 Cl18 N74 O54 Pr4 -","2","1","","Jensen, Thomas B.; Scopelliti, Rosario; Bünzli, Jean-Claude G","Lanthanide triple-stranded helicates: controlling the yield of the heterobimetallic species.","Inorganic chemistry","2006","45","19","7806","7814","10.1021/ic0608501","","","0.71073","MoKα","","0.245","0.0816","","","0.1778","0.2346","","","","","","0.796","","","","has coordinates,has disorder","239882","2020-10-21","18:00:00",""
"4350415","15.0634","0.0011","19.327","0.0018","30.237","0.002","104.096","0.007","100.842","0.006","96.221","0.007","8274.9","1.2","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C152 H162 Cl9 Lu N37 O27 Pr -","- C152 H126 Cl9 Lu N37 O27 Pr -","- C304 H252 Cl18 Lu2 N74 O54 Pr2 -","2","1","","Jensen, Thomas B.; Scopelliti, Rosario; Bünzli, Jean-Claude G","Lanthanide triple-stranded helicates: controlling the yield of the heterobimetallic species.","Inorganic chemistry","2006","45","19","7806","7814","10.1021/ic0608501","","","0.71073","MoKα","","0.1902","0.0787","","","0.1876","0.2317","","","","","","0.854","","","","has coordinates","239882","2020-10-21","18:00:00",""
"4350416","30.992","0.003","15.0821","0.0009","34.666","0.003","90","","109.251","0.007","90","","15298","2","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C145 H151 Cl9 Lu N34 Nd O27 -","- C145 H126 Cl9 Lu N34 Nd O27 -","- C580 H504 Cl36 Lu4 N136 Nd4 O108 -","4","1","","Jensen, Thomas B.; Scopelliti, Rosario; Bünzli, Jean-Claude G","Lanthanide triple-stranded helicates: controlling the yield of the heterobimetallic species.","Inorganic chemistry","2006","45","19","7806","7814","10.1021/ic0608501","","","0.71073","MoKα","","0.2407","0.0933","","","0.2258","0.3022","","","","","","0.878","","","","has coordinates,has disorder","239882","2020-10-21","18:00:00",""
"4350417","15.1132","0.001","9.3294","0.0007","16.3831","0.001","90","","110.596","0.007","90","","2162.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CpNi(bdt)","","","- C11 H9 Ni S2 -","- C11 H9 Ni S2 -","- C88 H72 Ni8 S16 -","8","2","","Nomura, Mitsushiro; Cauchy, Thomas; Geoffroy, Michel; Adkine, Prashant; Fourmigué, Marc","[CpNi(dithiolene)] (and diselenolene) neutral radical complexes.","Inorganic chemistry","2006","45","20","8194","8204","10.1021/ic0608546","","","0.71073","MoKα","","0.0909","0.034","","","0.0788","0.1003","","","","","","0.703","","","","has coordinates","239883","2020-10-21","18:00:00",""
"4350418","9.1045","0.0008","20.766","0.002","12.3642","0.0011","90","","105.119","0.01","90","","2256.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","CpNi(dddt)","","","- C9 H9 Ni S4 -","- C9 H9 Ni S4 -","- C72 H72 Ni8 S32 -","8","4","","Nomura, Mitsushiro; Cauchy, Thomas; Geoffroy, Michel; Adkine, Prashant; Fourmigué, Marc","[CpNi(dithiolene)] (and diselenolene) neutral radical complexes.","Inorganic chemistry","2006","45","20","8194","8204","10.1021/ic0608546","","","0.71073","MoKα","","0.0548","0.0374","","","0.0855","0.0905","","","","","","0.923","","","","has coordinates","239884","2020-10-21","18:00:00",""
"4350419","6.2605","0.0005","21.146","0.002","9.2234","0.0007","90","","106.276","0.009","90","","1172.1","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Ni S2 Se2 -","- C9 H9 Ni S2 Se2 -","- C36 H36 Ni4 S8 Se8 -","4","1","","Nomura, Mitsushiro; Cauchy, Thomas; Geoffroy, Michel; Adkine, Prashant; Fourmigué, Marc","[CpNi(dithiolene)] (and diselenolene) neutral radical complexes.","Inorganic chemistry","2006","45","20","8194","8204","10.1021/ic0608546","","","0.71073","MoKα","","0.0862","0.0619","","","0.1528","0.1761","","","","","","0.975","","","","has coordinates","239885","2020-10-21","18:00:00",""
"4350420","15.5585","0.0015","9.495","0.0007","16.5769","0.0016","90","","112.131","0.011","90","","2268.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CpNi(bds)","","","- C11 H9 Ni Se2 -","- C11 H9 Ni Se2 -","- C88 H72 Ni8 Se16 -","8","2","","Nomura, Mitsushiro; Cauchy, Thomas; Geoffroy, Michel; Adkine, Prashant; Fourmigué, Marc","[CpNi(dithiolene)] (and diselenolene) neutral radical complexes.","Inorganic chemistry","2006","45","20","8194","8204","10.1021/ic0608546","","","0.71073","MoKα","","0.1354","0.0648","","","0.1434","0.1739","","","","","","0.84","","","","has coordinates","239886","2020-10-21","18:00:00",""
"4350421","9.2009","0.0008","20.963","0.002","12.663","0.0011","90","","105.827","0.01","90","","2349.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","CpNi(ddds)","","","- C9 H9 Ni S2 Se2 -","- C9 H9 Ni S2 Se2 -","- C72 H72 Ni8 S16 Se16 -","8","4","","Nomura, Mitsushiro; Cauchy, Thomas; Geoffroy, Michel; Adkine, Prashant; Fourmigué, Marc","[CpNi(dithiolene)] (and diselenolene) neutral radical complexes.","Inorganic chemistry","2006","45","20","8194","8204","10.1021/ic0608546","","","0.71073","MoKα","","0.0681","0.0365","","","0.0796","0.0935","","","","","","0.945","","","","has coordinates","239887","2020-10-21","18:00:00",""
"4350422","13.2739","0.0005","12.2884","0.0005","17.762","0.0007","90","","105.723","0.002","90","","2788.84","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 Fe N O P2 Si -","- C26 H43 Fe N O P2 Si -","- C104 H172 Fe4 N4 O4 P8 Si4 -","4","1","","Trovitch, Ryan J.; Lobkovsky, Emil; Chirik, Paul J.","Bis(diisopropylphosphino)pyridine iron dicarbonyl, dihydride, and silyl hydride complexes.","Inorganic chemistry","2006","45","18","7252","7260","10.1021/ic0608647","","","0.71073","MoKα","","0.0553","0.0375","","","0.0964","0.1033","","","","","","1.071","","","","has coordinates","239888","2020-10-21","18:00:00",""
"4350423","13.7772","0.0006","10.7188","0.0005","22.1923","0.001","90","","107.543","0.002","90","","3124.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H43 Fe N3 P2 Si -","- C25 H43 Fe N3 P2 Si -","- C100 H172 Fe4 N12 P8 Si4 -","4","1","","Trovitch, Ryan J.; Lobkovsky, Emil; Chirik, Paul J.","Bis(diisopropylphosphino)pyridine iron dicarbonyl, dihydride, and silyl hydride complexes.","Inorganic chemistry","2006","45","18","7252","7260","10.1021/ic0608647","","","0.71073","MoKα","","0.0449","0.031","","","0.0738","0.077","","","","","","1.002","","","","has coordinates","239889","2020-10-21","18:00:00",""
"4350424","13.6824","0.0011","9.516","0.0008","22.7368","0.0018","90","","107.035","0.004","90","","2830.5","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H17.5 Fe0.5 N0.5 O P -","- C10.5 H17.5 Fe0.5 N0.5 O P -","- C84 H140 Fe4 N4 O8 P8 -","8","1","","Trovitch, Ryan J.; Lobkovsky, Emil; Chirik, Paul J.","Bis(diisopropylphosphino)pyridine iron dicarbonyl, dihydride, and silyl hydride complexes.","Inorganic chemistry","2006","45","18","7252","7260","10.1021/ic0608647","","","0.71073","MoKα","","0.0456","0.032","","","0.0893","0.093","","","","","","0.98","","","","has coordinates","239890","2020-10-21","18:00:00",""
"4350425","9.554","0.002","12.21","0.003","9.679","0.002","90","","90","","90","","1129.1","0.4","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H5 B F6 N2 O2 -","- C11 H5 B F6 N2 O2 -","- C44 H20 B4 F24 N8 O8 -","4","0.5","","Maeda, Hiromitsu; Ito, Yoshihiro","BF2 complex of fluorinated dipyrrolyldiketone: a new class of efficient receptor for acetate anions.","Inorganic chemistry","2006","45","20","8205","8210","10.1021/ic0608703","","","0.71073","MoKα","","0.0386","0.0352","","","0.0897","0.0919","","","","","","1.034","","","","has coordinates","239891","2020-10-21","18:00:00",""
"4350426","8.2698","0.0018","20.811","0.005","18.059","0.004","90","","98.926","0.004","90","","3070.4","1.2","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 B Cl F6 N3 O2 -","- C27 H41 B Cl F6 N3 O2 -","- C108 H164 B4 Cl4 F24 N12 O8 -","4","1","","Maeda, Hiromitsu; Ito, Yoshihiro","BF2 complex of fluorinated dipyrrolyldiketone: a new class of efficient receptor for acetate anions.","Inorganic chemistry","2006","45","20","8205","8210","10.1021/ic0608703","","","0.71073","MoKα","","0.0803","0.0749","","","0.1629","0.165","","","","","","1.318","","","","has coordinates","239891","2020-10-21","18:00:00",""
"4350427","13.5058","0.0015","15.8124","0.0017","15.9566","0.0017","105.741","0.002","107.046","0.002","108.798","0.002","2821.1","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H40 B F6 N3 O2 -","- C27 H40 B F6 N3 O2 -","- C108 H160 B4 F24 N12 O8 -","4","2","","Maeda, Hiromitsu; Ito, Yoshihiro","BF2 complex of fluorinated dipyrrolyldiketone: a new class of efficient receptor for acetate anions.","Inorganic chemistry","2006","45","20","8205","8210","10.1021/ic0608703","","","0.71073","MoKα","","0.072","0.0423","","","0.0952","0.1106","","","","","","1.04","","","","has coordinates","239891","2020-10-21","18:00:00",""
"4350428","13.735","0.003","15.839","0.004","19.182","0.004","79.31","0.02","85.39","0.018","65.75","0.018","3738.7","1.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","'((1,3-bis-(2',4',6'-triisopropylbiphenyl-2)) (triazenido-N,N'))lithium'","","- C84 H108 Li2 N6 -","- C84 H108 Li2 N6 -","- C168 H216 Li4 N12 -","2","1","","Lee, Hyui Sul; Niemeyer, Mark","Inverse aggregation behavior of alkali-metal triazenides.","Inorganic chemistry","2006","45","16","6126","6128","10.1021/ic060873f","","","0.71073","MoKα","","0.1693","0.0794","","","0.1375","0.1671","","","","","","1.187","","","","has coordinates,has disorder","239892","2020-10-21","18:00:00",""
"4350429","9.4209","0.0014","14.406","0.003","14.624","0.003","101.089","0.016","104.113","0.013","91.023","0.014","1884.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","'((1,3-bis-(2',4',6'-triisopropylbiphenyl-2)) (triazenido-N,N'))potassium'","","- C42 H54 K N3 -","- C42 H54 K N3 -","- C84 H108 K2 N6 -","2","1","","Lee, Hyui Sul; Niemeyer, Mark","Inverse aggregation behavior of alkali-metal triazenides.","Inorganic chemistry","2006","45","16","6126","6128","10.1021/ic060873f","","","0.71073","MoKα","","0.0593","0.0515","","","0.1384","0.1457","","","","","","1.028","","","","has coordinates,has disorder","239892","2020-10-21","18:00:00",""
"4350430","9.538","0.003","13.232","0.004","16.727","0.004","100.37","0.02","106.21","0.02","101.89","0.02","1919.2","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","'((1,3-bis-(2',4',6'-triisopropylbiphenyl-2)) (triazenido-N,N'))cesium'","","- C42 H54 Cs N3 -","- C42 H54 Cs N3 -","- C84 H108 Cs2 N6 -","2","1","","Lee, Hyui Sul; Niemeyer, Mark","Inverse aggregation behavior of alkali-metal triazenides.","Inorganic chemistry","2006","45","16","6126","6128","10.1021/ic060873f","","","0.71073","MoKα","","0.1128","0.0625","","","0.1199","0.1391","","","","","","1.135","","","","has coordinates","239892","2020-10-21","18:00:00",""
"4350431","27.0991","0.0014","12.2152","0.0006","18.0266","0.0008","90","","130.27","0.002","90","","4553","0.4","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H72 N13 V -","- C38 H72 N13 V -","- C152 H288 N52 V4 -","4","0.5","","Nelson, Kendric J.; Giles, Ian D.; Troff, Shayla A.; Arif, Atta M.; Miller, Joel S.","Solvent-enhanced magnetic ordering temperature for mixed-valent chromium hexacyanovanadate(II), Cr(II)0.5Cr(III)[V(II)(CN)6].zMeCN, magnetic materials.","Inorganic chemistry","2006","45","22","8922","8929","10.1021/ic0608896","","","0.71073","MoKα","","0.1271","0.0736","","","0.1867","0.2254","","","","","","1.028","","","","has coordinates,has disorder","239893","2020-10-21","18:00:00",""
"4350432","11.1367","0.0015","15.47","0.002","17.573","0.003","83.056","0.002","88.764","0.002","87.531","0.002","3002.2","0.8","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C102 H128 Cl8 N12 O32 Zn2 -","- C102 H122 Cl8 N12 O32 Zn2 -","- C102 H122 Cl8 N12 O32 Zn2 -","1","1","","Wu, Chuan-De; Zhang, Lin; Lin, Wenbin","1D and 2D homochiral metal-organic frameworks built from a new chiral elongated binaphthalene-derived bipyridine.","Inorganic chemistry","2006","45","18","7278","7285","10.1021/ic060891x","","","0.71073","MoKα","","","0.1096","","","0.274","0.3023","","","","","","1.042","","","","has coordinates","239894","2020-10-21","18:00:00",""
"4350433","11.151","0.002","15.498","0.002","17.514","0.004","82.93","0.02","89.19","0.03","87.64","0.03","3001.1","1","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C103 H123 Cd2 Cl8 N13 O29 -","- C103 H123 Cd2 Cl8 N13 O29 -","- C103 H123 Cd2 Cl8 N13 O29 -","1","1","","Wu, Chuan-De; Zhang, Lin; Lin, Wenbin","1D and 2D homochiral metal-organic frameworks built from a new chiral elongated binaphthalene-derived bipyridine.","Inorganic chemistry","2006","45","18","7278","7285","10.1021/ic060891x","","","0.71073","MoKα","","","0.0704","","","0.1856","0.2036","","","","","","1.051","","","","has coordinates","239894","2020-10-21","18:00:00",""
"4350434","9.1608","0.0002","19.3673","0.0004","24.6754","0.0005","90","","98.143","0.001","90","","4333.77","0.16","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C77 H70 Cd2 Cl4 N8 O20 -","- C77 H60 Cd2 Cl4 N8 O20 -","- C154 H120 Cd4 Cl8 N16 O40 -","2","1","","Wu, Chuan-De; Zhang, Lin; Lin, Wenbin","1D and 2D homochiral metal-organic frameworks built from a new chiral elongated binaphthalene-derived bipyridine.","Inorganic chemistry","2006","45","18","7278","7285","10.1021/ic060891x","","","0.71073","MoKα","","","0.0928","","","0.2133","0.252","","","","","","1.066","","","","has coordinates","239894","2020-10-21","18:00:00",""
"4350435","10.4986","0.0015","20.587","0.003","21.993","0.003","98.545","0.002","92.312","0.003","100.165","0.002","4616.1","1.1","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C164 H159 Cd2 Cl12 N13 O34 -","- C164 H134 Cd2 Cl12 N13 O34 -","- C164 H134 Cd2 Cl12 N13 O34 -","1","1","","Wu, Chuan-De; Zhang, Lin; Lin, Wenbin","1D and 2D homochiral metal-organic frameworks built from a new chiral elongated binaphthalene-derived bipyridine.","Inorganic chemistry","2006","45","18","7278","7285","10.1021/ic060891x","","","0.71073","MoKα","","","0.093","","","0.2151","0.2322","","","","","","1.087","","","","has coordinates","239894","2020-10-21","18:00:00",""
"4350436","27.796","0.008","31.895","0.011","10.176","0.003","90","","103.4","0.03","90","","8776","5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C83 H84 Cd Cl4 N7 O15.5 -","- C83 H75.5 Cd Cl4 N7 O15.5 -","- C332 H302 Cd4 Cl16 N28 O62 -","4","1","","Wu, Chuan-De; Zhang, Lin; Lin, Wenbin","1D and 2D homochiral metal-organic frameworks built from a new chiral elongated binaphthalene-derived bipyridine.","Inorganic chemistry","2006","45","18","7278","7285","10.1021/ic060891x","","","0.71073","MoKα","","","0.094","","","0.2398","0.2597","","","","","","1.05","","","","has coordinates","239894","2020-10-21","18:00:00",""
"4350437","27.1399","0.0009","31.3132","0.0008","10.8308","0.0008","90","","99.655","0.004","90","","9074","0.8","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C87 H93 Cl6 N5 Ni O10 -","- C89 H60 Cl6 N5 Ni O11 -","- C356 H240 Cl24 N20 Ni4 O44 -","4","1","","Wu, Chuan-De; Zhang, Lin; Lin, Wenbin","1D and 2D homochiral metal-organic frameworks built from a new chiral elongated binaphthalene-derived bipyridine.","Inorganic chemistry","2006","45","18","7278","7285","10.1021/ic060891x","","","0.71073","MoKα","","","0.0953","","","0.2439","0.3025","","","","","","1.033","","","","has coordinates","239894","2020-10-21","18:00:00",""
"4350438","25.596","0.005","19.402","0.004","22.363","0.005","90","","90","","90","","11106","4","294","2","294","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C98 H112 B2 Cu2 F8 O6 P4 -","- C98 H112 B2 Cu2 F8 O6 P4 -","- C392 H448 B8 Cu8 F32 O24 P16 -","4","0.5","","Meng, Xiang-Tai; Li, Qing-Shan; Xu, Feng-Bo; Song, Hai-Bin; Anson, Christopher E.; Zhang, Zheng-Zhi","Extended calix[4]arene analogues by two P-CuI-P bridges and anion encapsulation.","Inorganic chemistry","2006","45","20","7986","7987","10.1021/ic060892p","","","0.71073","MoKα","","0.1675","0.0758","","","0.2029","0.2435","","","","","","0.945","","","","has coordinates,has disorder","239895","2020-10-21","18:00:00",""
"4350439","25.173","0.003","19.367","0.002","22.745","0.003","90","","90","","90","","11089","2","294","2","294","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C101 H118 Cl8 Cu2 O14 P4 -","- C98 H112 Cl2 Cu2 O14 P4 -","- C392 H448 Cl8 Cu8 O56 P16 -","4","0.5","","Meng, Xiang-Tai; Li, Qing-Shan; Xu, Feng-Bo; Song, Hai-Bin; Anson, Christopher E.; Zhang, Zheng-Zhi","Extended calix[4]arene analogues by two P-CuI-P bridges and anion encapsulation.","Inorganic chemistry","2006","45","20","7986","7987","10.1021/ic060892p","","","0.71073","MoKα","","0.1258","0.065","","","0.1673","0.1883","","","","","","0.999","","","","has coordinates,has disorder","239896","2020-10-21","18:00:00",""
"4350440","7.7373","0.0007","12.6583","0.0016","13.9407","0.0013","90","","90","","90","","1365.4","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","TcCl4(THF)2","Tetrachlorobis(tetrahydrofurane)technetium(IV)","","- C8 H16 Cl4 O2 Tc -","- C8 H16 Cl4 O2 Tc -","- C32 H64 Cl16 O8 Tc4 -","4","1","","Hagenbach, Adelheid; Yegen, Eda; Abram, Ulrich","Technetium tetrachloride as a precursor for small technetium(IV) complexes.","Inorganic chemistry","2006","45","18","7331","7338","10.1021/ic060896u","","","0.71073","MoKα","","0.0522","0.0518","","","0.1419","0.1425","","","","","","1.037","","","","has coordinates","239897","2020-10-21","18:00:00",""
"4350441","13.896","0.001","12.993","0.001","19.412","0.002","90","","95.82","0.01","90","","3486.8","0.5","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","TcCl4(OPPh3)2","tetrachlorobis(triphenylphosphine oxide)technetium(IV)","","- C36 H30 Cl4 O2 P2 Tc -","- C36 H30 Cl4 O2 P2 Tc -","- C144 H120 Cl16 O8 P8 Tc4 -","4","0.5","","Hagenbach, Adelheid; Yegen, Eda; Abram, Ulrich","Technetium tetrachloride as a precursor for small technetium(IV) complexes.","Inorganic chemistry","2006","45","18","7331","7338","10.1021/ic060896u","","","0.71073","MoKα","","0.072","0.045","","","0.1049","0.1166","","","","","","0.859","","","","has coordinates","239897","2020-10-21","18:00:00",""
"4350442","6.47","0.001","6.469","0.001","12.831","0.003","93.95","0.02","93.87","0.02","104.46","0.02","516.79","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","TcCl4(thioxane)2*thioxane","tetrachlorobis(thioxane)technetium(IV) thioxane solvate","","- C12 H24 Cl4 O3 S3 Tc -","- C12 H24 Cl4 O3 S3 Tc -","- C12 H24 Cl4 O3 S3 Tc -","1","0.5","","Hagenbach, Adelheid; Yegen, Eda; Abram, Ulrich","Technetium tetrachloride as a precursor for small technetium(IV) complexes.","Inorganic chemistry","2006","45","18","7331","7338","10.1021/ic060896u","","","0.71073","MoKα","","0.0709","0.039","","","0.0941","0.1046","","","","","","0.796","","","","has coordinates,has disorder","239897","2020-10-21","18:00:00",""
"4350443","10.0719","0.0003","10.0719","0.0003","44.724","0.002","90","","90","","120","","3929.1","0.2","200","2","200","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","[{TcCl3(CH3CN)2}2O]","Mu2-oxobis(diacetonitriletrichlorotechnetium(IV)","","- C8 H12 Cl6 N4 O Tc2 -","- C8 H12 Cl6 N4 O Tc2 -","- C48 H72 Cl36 N24 O6 Tc12 -","6","0.5","","Hagenbach, Adelheid; Yegen, Eda; Abram, Ulrich","Technetium tetrachloride as a precursor for small technetium(IV) complexes.","Inorganic chemistry","2006","45","18","7331","7338","10.1021/ic060896u","","","0.71073","MoKα","","0.0519","0.0466","","","0.1174","0.1206","","","","","","1.091","","","","has coordinates","239897","2020-10-21","18:00:00",""
"4350444","11.335","0.002","9.463","0.001","13.116","0.002","90","","113.13","0.01","90","","1293.8","0.3","200","2","200","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","(TcCl3(DMSO)2)O","mu2-oxo-bis{trichlorobis(dimethylsulfoxide)technetium(IV)}","","- C8 H24 Cl6 O5 S4 Tc2 -","- C8 H24 Cl6 O5 S4 Tc2 -","- C16 H48 Cl12 O10 S8 Tc4 -","2","0.5","","Hagenbach, Adelheid; Yegen, Eda; Abram, Ulrich","Technetium tetrachloride as a precursor for small technetium(IV) complexes.","Inorganic chemistry","2006","45","18","7331","7338","10.1021/ic060896u","","","0.71069","MoKα","","0.1514","0.0966","","","0.2425","0.2701","","","","","","0.953","","","","has coordinates","239897","2020-10-21","18:00:00",""
"4350445","8.703","0.001","8.968","0.001","13.901","0.002","104.28","0.01","100.53","0.01","93.59","0.01","1027.1","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[TcCl3(DMSO)3]2[TcCl6]","trichlorotris(dimethylsulfoxide)technetium(IV)) hexachlorotechnetate(IV)","","- C12 H36 Cl12 O6 S6 Tc3 -","- C12 H36 Cl12 O6 S6 Tc3 -","- C12 H36 Cl12 O6 S6 Tc3 -","1","0.5","","Hagenbach, Adelheid; Yegen, Eda; Abram, Ulrich","Technetium tetrachloride as a precursor for small technetium(IV) complexes.","Inorganic chemistry","2006","45","18","7331","7338","10.1021/ic060896u","","","0.71073","MoKα","","0.0931","0.0609","","","0.14","0.1529","","","","","","1.04","","","","has coordinates","239897","2020-10-21","18:00:00",""
"4350446","10.24","0.002","10.502","0.002","16.441","0.004","98.156","0.004","96.206","0.004","96.373","0.004","1725.5","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 O23 Sr2 -","- C28 H31 O23 Sr2 -","- C56 H62 O46 Sr4 -","2","1","","Dan, Meenakshi; Cheetham, A. K.; Rao, C. N. R.","Diverse structures and dimensionalities in hybrid frameworks of strontium and lanthanum with isomeric dihydroxybenzoates.","Inorganic chemistry","2006","45","20","8227","8238","10.1021/ic060917k","","","0.71073","MoKα","","0.0684","0.0399","","0.0886","0.0777","","","","1.009","1.058","1.058","","","","","has coordinates","239898","2020-10-21","18:00:00",""
"4350447","6.7958","0.0015","10.461","0.002","13.095","0.003","101.38","0.003","91.542","0.004","97.946","0.004","902.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H20 O13 Sr -","- C14 H20 O13 Sr -","- C28 H40 O26 Sr2 -","2","1","","Dan, Meenakshi; Cheetham, A. K.; Rao, C. N. R.","Diverse structures and dimensionalities in hybrid frameworks of strontium and lanthanum with isomeric dihydroxybenzoates.","Inorganic chemistry","2006","45","20","8227","8238","10.1021/ic060917k","","","0.71073","MoKα","","0.0387","0.031","","","0.072","0.0751","","","","","","1.049","","","","has coordinates","239898","2020-10-21","18:00:00",""
"4350448","11.703","0.004","21.409","0.006","7.841","0.002","90","","90.131","0.005","90","","1964.6","1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 O14 Sr -","- C14 H18 O14 Sr -","- C56 H72 O56 Sr4 -","4","0.5","","Dan, Meenakshi; Cheetham, A. K.; Rao, C. N. R.","Diverse structures and dimensionalities in hybrid frameworks of strontium and lanthanum with isomeric dihydroxybenzoates.","Inorganic chemistry","2006","45","20","8227","8238","10.1021/ic060917k","","","0.71073","MoKα","","0.0629","0.053","","","0.1202","0.1238","","","","","","1.194","","","","has coordinates,has disorder","239898","2020-10-21","18:00:00",""
"4350449","7.047","0.002","7.719","0.002","13.786","0.003","99.96","0.02","100.05","0.014","105.38","0.03","692.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H15 O10 Sr -","- C9 H15 O10 Sr -","- C18 H30 O20 Sr2 -","2","1","","Dan, Meenakshi; Cheetham, A. K.; Rao, C. N. R.","Diverse structures and dimensionalities in hybrid frameworks of strontium and lanthanum with isomeric dihydroxybenzoates.","Inorganic chemistry","2006","45","20","8227","8238","10.1021/ic060917k","","","0.71073","MoKα","","0.0444","0.0394","","0.0972","0.095","","","","0.974","1.031","1.031","","","","","has coordinates","239898","2020-10-21","18:00:00",""
"4350450","7.5989","0.0004","9.3805","0.0005","11.3938","0.0006","91.871","0.001","95.303","0.002","90.687","0.002","808.17","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 O10.5 Sr -","- C14 H14 O10.5 Sr -","- C28 H28 O21 Sr2 -","2","1","","Dan, Meenakshi; Cheetham, A. K.; Rao, C. N. R.","Diverse structures and dimensionalities in hybrid frameworks of strontium and lanthanum with isomeric dihydroxybenzoates.","Inorganic chemistry","2006","45","20","8227","8238","10.1021/ic060917k","","","0.71073","MoKα","","0.0359","0.0283","","0.0692","0.0673","","","","0.983","1.034","1.034","","","","","has coordinates","239898","2020-10-21","18:00:00",""
"4350451","15.226","0.004","8.3221","0.0019","23.698","0.005","90","","90","","90","","3002.8","1.2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H13 La O9.18 -","- C11 H13 La O9.175 -","- C88 H104 La8 O73.4 -","8","1","","Dan, Meenakshi; Cheetham, A. K.; Rao, C. N. R.","Diverse structures and dimensionalities in hybrid frameworks of strontium and lanthanum with isomeric dihydroxybenzoates.","Inorganic chemistry","2006","45","20","8227","8238","10.1021/ic060917k","","","0.71073","MoKα","","0.0366","0.0246","","","0.0481","0.0513","","","","","","1.047","","","","has coordinates","239898","2020-10-21","18:00:00",""
"4350452","8.5452","0.0018","9.1824","0.0019","10.91","0.002","103.651","0.003","101.304","0.003","110.923","0.003","739","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 La O10 -","- C11 H15 La O10 -","- C22 H30 La2 O20 -","2","1","","Dan, Meenakshi; Cheetham, A. K.; Rao, C. N. R.","Diverse structures and dimensionalities in hybrid frameworks of strontium and lanthanum with isomeric dihydroxybenzoates.","Inorganic chemistry","2006","45","20","8227","8238","10.1021/ic060917k","","","0.71073","MoKα","","0.0249","0.0224","","","0.0532","0.0544","","","","","","1.038","","","","has coordinates","239898","2020-10-21","18:00:00",""
"4350453","11.1858","0.0003","8.3939","0.0001","16.5029","0.0003","90","","104.069","0.001","90","","1503.02","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 La O10 -","- C11 H15 La O10 -","- C44 H60 La4 O40 -","4","1","","Dan, Meenakshi; Cheetham, A. K.; Rao, C. N. R.","Diverse structures and dimensionalities in hybrid frameworks of strontium and lanthanum with isomeric dihydroxybenzoates.","Inorganic chemistry","2006","45","20","8227","8238","10.1021/ic060917k","","","0.71073","MoKα","","0.0275","0.024","","0.0597","0.0587","","","","1.034","1.084","1.084","","","","","has coordinates","239898","2020-10-21","18:00:00",""
"4350454","11.5638","0.0002","8.2409","0.0002","16.6299","0.0002","90","","105.601","0.001","90","","1526.38","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 La O10 -","- C11 H14 La O10 -","- C44 H56 La4 O40 -","4","1","","Dan, Meenakshi; Cheetham, A. K.; Rao, C. N. R.","Diverse structures and dimensionalities in hybrid frameworks of strontium and lanthanum with isomeric dihydroxybenzoates.","Inorganic chemistry","2006","45","20","8227","8238","10.1021/ic060917k","","","0.71073","MoKα","","0.0366","0.0296","","0.0627","0.061","","","","0.925","0.988","0.988","","","","","has coordinates","239898","2020-10-21","18:00:00",""
"4350455","22.971","0.0004","13.5778","0.0001","24.9004","0.0005","90","","115.889","0.001","90","","6986.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H84.5 B2 N9.5 Rh2 -","- C79 H84.5 B2 N9.5 Rh2 -","- C316 H338 B8 N38 Rh8 -","4","1","","Stace, Justin J.; Lambert, Kurt D.; Krause, Jeanette A.; Connick, William B.","Rhodium dimers with 2,2-dimethyl-1,3-diisocyano and bis(diphenylphosphino)methane bridging ligands.","Inorganic chemistry","2006","45","22","9123","9131","10.1021/ic060923g","","","0.71073","MoKα","","0.0976","0.0436","","","0.0774","0.0919","","","","","","0.946","","","","has coordinates","239899","2020-10-21","18:00:00",""
"4350456","30.2025","0.0016","10.2584","0.0006","19.7543","0.0006","90","","100.906","0.002","90","","6009.9","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Cl22 N8 Rh2 -","- C34 H46 Cl22 N8 Rh2 -","- C136 H184 Cl88 N32 Rh8 -","4","0.5","","Stace, Justin J.; Lambert, Kurt D.; Krause, Jeanette A.; Connick, William B.","Rhodium dimers with 2,2-dimethyl-1,3-diisocyano and bis(diphenylphosphino)methane bridging ligands.","Inorganic chemistry","2006","45","22","9123","9131","10.1021/ic060923g","","","0.71073","MoKα","","0.0873","0.0485","","","0.1034","0.1171","","","","","","1.015","","","","has coordinates","239899","2020-10-21","18:00:00",""
"4350457","16.5108","0.0002","17.2821","0.0003","19.7071","0.0004","90","","113.102","0.001","90","","5172.31","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C112.5 H106.4 B2 N4 O0.7 P4 Rh2 -","- C112.5 H106.4 B2 N4 O0.7 P4 Rh2 -","- C225 H212.8 B4 N8 O1.4 P8 Rh4 -","2","0.5","","Stace, Justin J.; Lambert, Kurt D.; Krause, Jeanette A.; Connick, William B.","Rhodium dimers with 2,2-dimethyl-1,3-diisocyano and bis(diphenylphosphino)methane bridging ligands.","Inorganic chemistry","2006","45","22","9123","9131","10.1021/ic060923g","","","0.71073","MoKα","","0.1003","0.0537","","","0.1388","0.1585","","","","","","1.054","","","","has coordinates,has disorder","239899","2020-10-21","18:00:00",""
"4350458","40.9545","0.0018","9.9826","0.0004","22.7804","0.0011","90","","96.47","0.004","90","","9254","0.7","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H54 Cu N2 P3 Si2 -","- C49 H54 Cu N2 P3 Si2 -","- C392 H432 Cu8 N16 P24 Si16 -","8","1","","Panda, Tarun K.; Roesky, Peter W.; Larsen, Patrick; Zhang, Shuang; Wickleder, Claudia","Reactions of potassium bis(phosphinimino)methanide with group 11 compounds.","Inorganic chemistry","2006","45","18","7503","7508","10.1021/ic060932p","","","0.71073","MoKα","","0.0866","0.0518","","","0.1031","0.1227","","","","","","1.092","","","","has coordinates","239900","2020-10-21","18:00:00",""
"4350459","12.6423","0.0005","14.1578","0.0005","19.4929","0.0007","93.587","0.003","91.235","0.003","115.643","0.003","3134.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H68 Au2 N2 P4 Si2 -","- C67 H68 Au2 N2 P4 Si2 -","- C134 H136 Au4 N4 P8 Si4 -","2","1","","Panda, Tarun K.; Roesky, Peter W.; Larsen, Patrick; Zhang, Shuang; Wickleder, Claudia","Reactions of potassium bis(phosphinimino)methanide with group 11 compounds.","Inorganic chemistry","2006","45","18","7503","7508","10.1021/ic060932p","","","0.71073","MoKα","","0.0328","0.0294","","","0.0694","0.0707","","","","","","1.131","","","","has coordinates,has disorder","239900","2020-10-21","18:00:00",""
"4350460","10.032","0.0001","12.545","0.0001","17.963","0.0002","88.186","0.0001","83.793","0.0001","73.034","0.0001","2149.6","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H66 N O3 Sb -","- C45 H66 N O3 Sb -","- C90 H132 N2 O6 Sb2 -","2","1","","Turner, Luke E.; Davidson, Matthew G.; Jones, Matthew D.; Ott, Holger; Schulz, Verena S.; Wilson, Paul J.","Bis(bismuth)toluene inverted-sandwich complex supported by aminetris(phenoxide) ligands.","Inorganic chemistry","2006","45","16","6123","6125","10.1021/ic0609406","","","0.71073","MoKα","","0.0265","0.0238","","","0.0576","0.0591","","","","","","1.04","","","","has coordinates,has disorder","239901","2020-10-21","18:00:00",""
"4350461","20.534","0.0002","11.135","0.0001","40.269","0.0004","90","","90.394","0.001","90","","9207.13","0.15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C97 H140 Bi2 N2 O6 -","- C97 H140 Bi2 N2 O6 -","- C388 H560 Bi8 N8 O24 -","4","0.5","","Turner, Luke E.; Davidson, Matthew G.; Jones, Matthew D.; Ott, Holger; Schulz, Verena S.; Wilson, Paul J.","Bis(bismuth)toluene inverted-sandwich complex supported by aminetris(phenoxide) ligands.","Inorganic chemistry","2006","45","16","6123","6125","10.1021/ic0609406","","","0.71073","MoKα","","0.0469","0.0373","","","0.0875","0.0918","","","","","","1.093","","","","has coordinates,has disorder","239901","2020-10-21","18:00:00",""
"4350462","25.522","0.004","20.962","0.01","22.967","0.01","90","","90","","90","","12287","8","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C61 H58 Cr La N17 O7 -","- C61 H40 Cr La N17 O7 -","- C488 H320 Cr8 La8 N136 O56 -","8","1","","Estrader, Marta; Ribas, Joan; Tangoulis, Vassilis; Solans, Xavier; Font-Bardía, Merce; Maestro, Miguel; Diaz, Carmen","Synthesis, crystal structure, and magnetic studies of one-dimensional cyano-bridged Ln3±Cr3+ complexes with bpy as a blocking ligand.","Inorganic chemistry","2006","45","20","8239","8250","10.1021/ic060942q","","","0.71073","MoKα","","0.0747","0.0684","","","0.1626","0.1663","","","","","","1.103","","","","has coordinates","239902","2020-10-21","18:00:00",""
"4350463","25.396","0.006","20.883","0.005","22.885","0.008","90","","90","","90","","12137","6","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C61 H58 Ce Cr N17 O7 -","- C61 H39 Ce Cr N17 O7 -","- C488 H312 Ce8 Cr8 N136 O56 -","8","1","","Estrader, Marta; Ribas, Joan; Tangoulis, Vassilis; Solans, Xavier; Font-Bardía, Merce; Maestro, Miguel; Diaz, Carmen","Synthesis, crystal structure, and magnetic studies of one-dimensional cyano-bridged Ln3±Cr3+ complexes with bpy as a blocking ligand.","Inorganic chemistry","2006","45","20","8239","8250","10.1021/ic060942q","","","0.71073","MoKα","","0.0491","0.0411","","","0.1018","0.1095","","","","","","1.254","","","","has coordinates","239902","2020-10-21","18:00:00",""
"4350464","25.419","0.008","20.927","0.006","22.805","0.009","90","","90","","90","","12131","7","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C61 H58 Cr N17 O7 Pr -","- C61 H40 Cr N17 O7 Pr -","- C488 H320 Cr8 N136 O56 Pr8 -","8","1","","Estrader, Marta; Ribas, Joan; Tangoulis, Vassilis; Solans, Xavier; Font-Bardía, Merce; Maestro, Miguel; Diaz, Carmen","Synthesis, crystal structure, and magnetic studies of one-dimensional cyano-bridged Ln3±Cr3+ complexes with bpy as a blocking ligand.","Inorganic chemistry","2006","45","20","8239","8250","10.1021/ic060942q","","","0.71073","MoKα","","0.1986","0.1153","","","0.2364","0.2731","","","","","","1.212","","","","has coordinates","239902","2020-10-21","18:00:00",""
"4350465","25.429","0.003","20.99","0.005","22.831","0.004","90","","90","","90","","12186","4","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C61 H58 Cr N17 Nd O7 -","- C61 H39 Cr N17 Nd O7 -","- C488 H312 Cr8 N136 Nd8 O56 -","8","1","","Estrader, Marta; Ribas, Joan; Tangoulis, Vassilis; Solans, Xavier; Font-Bardía, Merce; Maestro, Miguel; Diaz, Carmen","Synthesis, crystal structure, and magnetic studies of one-dimensional cyano-bridged Ln3±Cr3+ complexes with bpy as a blocking ligand.","Inorganic chemistry","2006","45","20","8239","8250","10.1021/ic060942q","","","0.71073","MoKα","","0.0822","0.0754","","","0.1686","0.1718","","","","","","1.16","","","","has coordinates","239902","2020-10-21","18:00:00",""
"4350466","9.854","0.004","10.858","0.003","19.806","0.005","83.34","0.02","83.31","0.02","65.48","0.02","1909.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cr N11 Nd O7.5 -","- C31 H22 Cr N11 Nd O8 -","- C62 H44 Cr2 N22 Nd2 O16 -","2","1","","Estrader, Marta; Ribas, Joan; Tangoulis, Vassilis; Solans, Xavier; Font-Bardía, Merce; Maestro, Miguel; Diaz, Carmen","Synthesis, crystal structure, and magnetic studies of one-dimensional cyano-bridged Ln3±Cr3+ complexes with bpy as a blocking ligand.","Inorganic chemistry","2006","45","20","8239","8250","10.1021/ic060942q","","","0.71073","MoKα","","0.048","0.0456","","","0.1409","0.1513","","","","","","1.311","","","","has coordinates","239902","2020-10-21","18:00:00",""
"4350467","9.8649","0.0007","10.8552","0.0007","19.9156","0.0013","83.413","0.001","83.682","0.001","65.266","0.001","1919.7","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cr N11 O7.5 Sm -","- C31 H31 Cr N11 O8 Sm -","- C62 H62 Cr2 N22 O16 Sm2 -","2","1","","Estrader, Marta; Ribas, Joan; Tangoulis, Vassilis; Solans, Xavier; Font-Bardía, Merce; Maestro, Miguel; Diaz, Carmen","Synthesis, crystal structure, and magnetic studies of one-dimensional cyano-bridged Ln3±Cr3+ complexes with bpy as a blocking ligand.","Inorganic chemistry","2006","45","20","8239","8250","10.1021/ic060942q","","","0.71073","MoKα","","0.0313","0.0266","","","0.0669","0.0688","","","","","","1.039","","","","has coordinates,has disorder","239902","2020-10-21","18:00:00",""
"4350468","9.862","0.004","10.84","0.003","19.917","0.006","83.41","0.02","83.77","0.02","65.02","0.02","1913","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cr Eu N11 O7.5 -","- C31 H24 Cr Eu N11 O8 -","- C62 H48 Cr2 Eu2 N22 O16 -","2","1","","Estrader, Marta; Ribas, Joan; Tangoulis, Vassilis; Solans, Xavier; Font-Bardía, Merce; Maestro, Miguel; Diaz, Carmen","Synthesis, crystal structure, and magnetic studies of one-dimensional cyano-bridged Ln3±Cr3+ complexes with bpy as a blocking ligand.","Inorganic chemistry","2006","45","20","8239","8250","10.1021/ic060942q","","","0.71073","MoKα","","0.0357","0.0331","","","0.0988","0.104","","","","","","1.211","","","","has coordinates","239902","2020-10-21","18:00:00",""
"4350469","9.839","0.004","10.789","0.004","19.776","0.007","83.54","0.02","83.88","0.02","64.95","0.02","1885.7","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cr N11 O7.5 Tb -","- C31 H20 Cr N11 O8 Tb -","- C62 H40 Cr2 N22 O16 Tb2 -","2","1","","Estrader, Marta; Ribas, Joan; Tangoulis, Vassilis; Solans, Xavier; Font-Bardía, Merce; Maestro, Miguel; Diaz, Carmen","Synthesis, crystal structure, and magnetic studies of one-dimensional cyano-bridged Ln3±Cr3+ complexes with bpy as a blocking ligand.","Inorganic chemistry","2006","45","20","8239","8250","10.1021/ic060942q","","","0.71073","MoKα","","0.0377","0.0343","","","0.1134","0.1316","","","","","","1.334","","","","has coordinates","239902","2020-10-21","18:00:00",""
"4350470","9.828","0.004","10.773","0.003","19.806","0.006","83.61","0.02","84.01","0.02","64.88","0.02","1883.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cr Dy N11 O7.5 -","- C31 H34 Cr Dy N11 O8 -","- C62 H68 Cr2 Dy2 N22 O16 -","2","1","","Estrader, Marta; Ribas, Joan; Tangoulis, Vassilis; Solans, Xavier; Font-Bardía, Merce; Maestro, Miguel; Diaz, Carmen","Synthesis, crystal structure, and magnetic studies of one-dimensional cyano-bridged Ln3±Cr3+ complexes with bpy as a blocking ligand.","Inorganic chemistry","2006","45","20","8239","8250","10.1021/ic060942q","","","0.71073","MoKα","","0.0217","0.02","","","0.0492","0.0506","","","","","","1.117","","","","has coordinates","239902","2020-10-21","18:00:00",""
"4350471","9.805","0.004","10.745","0.003","19.749","0.007","83.88","0.02","83.02","0.02","64.85","0.02","1865.9","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cr Ho N11 O7.5 -","- C31 H29 Cr Ho N11 O8 -","- C62 H58 Cr2 Ho2 N22 O16 -","2","1","","Estrader, Marta; Ribas, Joan; Tangoulis, Vassilis; Solans, Xavier; Font-Bardía, Merce; Maestro, Miguel; Diaz, Carmen","Synthesis, crystal structure, and magnetic studies of one-dimensional cyano-bridged Ln3±Cr3+ complexes with bpy as a blocking ligand.","Inorganic chemistry","2006","45","20","8239","8250","10.1021/ic060942q","","","0.71073","MoKα","","0.0254","0.0222","","","0.058","0.0612","","","","","","1.136","","","","has coordinates","239902","2020-10-21","18:00:00",""
"4350472","9.84","0.004","10.767","0.003","19.78","0.006","83.64","0.02","84.15","0.02","64.59","0.02","1877.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cr Er N11 O7.5 -","- C31 H33 Cr Er N11 O8 -","- C62 H66 Cr2 Er2 N22 O16 -","2","1","","Estrader, Marta; Ribas, Joan; Tangoulis, Vassilis; Solans, Xavier; Font-Bardía, Merce; Maestro, Miguel; Diaz, Carmen","Synthesis, crystal structure, and magnetic studies of one-dimensional cyano-bridged Ln3±Cr3+ complexes with bpy as a blocking ligand.","Inorganic chemistry","2006","45","20","8239","8250","10.1021/ic060942q","","","0.71073","MoKα","","0.0232","0.021","","","0.0686","0.0818","","","","","","1.11","","","","has coordinates","239902","2020-10-21","18:00:00",""
"4350473","9.812","0.004","10.735","0.003","19.753","0.006","83.61","0.02","84.18","0.02","64.63","0.02","1864.9","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cr N11 O7.5 Tm -","- C31 H33 Cr N11 O8 Tm -","- C62 H66 Cr2 N22 O16 Tm2 -","2","1","","Estrader, Marta; Ribas, Joan; Tangoulis, Vassilis; Solans, Xavier; Font-Bardía, Merce; Maestro, Miguel; Diaz, Carmen","Synthesis, crystal structure, and magnetic studies of one-dimensional cyano-bridged Ln3±Cr3+ complexes with bpy as a blocking ligand.","Inorganic chemistry","2006","45","20","8239","8250","10.1021/ic060942q","","","0.71073","MoKα","","0.0282","0.0251","","","0.0659","0.0726","","","","","","1.142","","","","has coordinates","239902","2020-10-21","18:00:00",""
"4350474","9.8332","0.0015","10.7618","0.0016","19.901","0.003","83.596","0.003","84.282","0.003","64.463","0.002","1885.3","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cr N11 O7.5 Yb -","- C31 H31 Cr N11 O8 Yb -","- C62 H62 Cr2 N22 O16 Yb2 -","2","1","","Estrader, Marta; Ribas, Joan; Tangoulis, Vassilis; Solans, Xavier; Font-Bardía, Merce; Maestro, Miguel; Diaz, Carmen","Synthesis, crystal structure, and magnetic studies of one-dimensional cyano-bridged Ln3±Cr3+ complexes with bpy as a blocking ligand.","Inorganic chemistry","2006","45","20","8239","8250","10.1021/ic060942q","","","0.71073","MoKα","","0.035","0.0295","","","0.0711","0.0733","","","","","","1.02","","","","has coordinates,has disorder","239902","2020-10-21","18:00:00",""
"4350475","9.804","0.004","10.71","0.003","19.795","0.006","83.67","0.02","84.38","0.02","64.46","0.02","1861","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cr Lu N11 O7.5 -","- C31 H20 Cr Lu N11 O8 -","- C62 H40 Cr2 Lu2 N22 O16 -","2","1","","Estrader, Marta; Ribas, Joan; Tangoulis, Vassilis; Solans, Xavier; Font-Bardía, Merce; Maestro, Miguel; Diaz, Carmen","Synthesis, crystal structure, and magnetic studies of one-dimensional cyano-bridged Ln3±Cr3+ complexes with bpy as a blocking ligand.","Inorganic chemistry","2006","45","20","8239","8250","10.1021/ic060942q","","","0.71073","MoKα","","0.0294","0.0268","","","0.0841","0.0886","","","","","","1.184","","","","has coordinates","239902","2020-10-21","18:00:00",""
"4350476","18.23","0.002","9.8294","0.0011","15.8794","0.0017","90","","90","","90","","2845.4","0.5","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H10 Cl2 N4 O Zn -","- C11 H10 Cl2 N4 O Zn -","- C88 H80 Cl16 N32 O8 Zn8 -","8","0.5","","Custelcean, Radu; Haverlock, Tamara J.; Moyer, Bruce A.","Anion separation by selective crystallization of metal-organic frameworks.","Inorganic chemistry","2006","45","16","6446","6452","10.1021/ic060958g","","","0.71073","MoKα","","0.0152","0.0152","","","0.0395","0.0395","","","","","","1.05","","","","has coordinates","239903","2020-10-21","18:00:00",""
"4350477","10.0599","0.0011","16.7628","0.0018","8.4195","0.0009","90","","103.996","0.002","90","","1377.6","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br2 N4 O Zn -","- C11 H10 Br2 N4 O Zn -","- C44 H40 Br8 N16 O4 Zn4 -","4","1","","Custelcean, Radu; Haverlock, Tamara J.; Moyer, Bruce A.","Anion separation by selective crystallization of metal-organic frameworks.","Inorganic chemistry","2006","45","16","6446","6452","10.1021/ic060958g","","","0.71073","MoKα","","0.0211","0.019","","","0.0495","0.0504","","","","","","1.047","","","","has coordinates","239903","2020-10-21","18:00:00",""
"4350478","10.1499","0.0011","17.1161","0.0019","8.7576","0.001","90","","104.884","0.002","90","","1470.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 I2 N4 O Zn -","- C11 H10 I2 N4 O Zn -","- C44 H40 I8 N16 O4 Zn4 -","4","1","","Custelcean, Radu; Haverlock, Tamara J.; Moyer, Bruce A.","Anion separation by selective crystallization of metal-organic frameworks.","Inorganic chemistry","2006","45","16","6446","6452","10.1021/ic060958g","","","0.71073","MoKα","","0.0199","0.0195","","","0.0477","0.048","","","","","","1.201","","","","has coordinates","239903","2020-10-21","18:00:00",""
"4350479","10.0302","0.0016","16.7652","0.0019","8.3591","0.0011","90","","105.098","0.016","90","","1357.1","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br0.94 Cl1.06 N4 O Zn -","- C11 H10 Br0.943 Cl1.057 N4 O Zn -","- C44 H40 Br3.772 Cl4.228 N16 O4 Zn4 -","4","1","","Custelcean, Radu; Haverlock, Tamara J.; Moyer, Bruce A.","Anion separation by selective crystallization of metal-organic frameworks.","Inorganic chemistry","2006","45","16","6446","6452","10.1021/ic060958g","","","0.71073","MoKα","","0.0304","0.0266","","","0.0653","0.0668","","","","","","1.098","","","","has coordinates","239903","2020-10-21","18:00:00",""
"4350480","18.3673","0.0012","9.878","0.0006","15.9371","0.001","90","","90","","90","","2891.5","0.3","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C11 H10 Br0.58 Cl1.42 N4 O Zn -","- C11 H10 Br0.576 Cl1.424 N4 O Zn -","- C88 H80 Br4.608 Cl11.392 N32 O8 Zn8 -","8","0.5","","Custelcean, Radu; Haverlock, Tamara J.; Moyer, Bruce A.","Anion separation by selective crystallization of metal-organic frameworks.","Inorganic chemistry","2006","45","16","6446","6452","10.1021/ic060958g","","","0.71073","MoKα","","0.0157","0.0155","","","0.0397","0.0397","","","","","","1.044","","","","has coordinates","239903","2020-10-21","18:00:00",""
"4350481","10.0935","0.0009","17.0287","0.0016","8.5845","0.0008","90","","104.658","0.002","90","","1427.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br0.92 I1.08 N4 O Zn -","- C11 H10 Br0.917 I1.083 N4 O Zn -","- C44 H40 Br3.668 I4.332 N16 O4 Zn4 -","4","1","","Custelcean, Radu; Haverlock, Tamara J.; Moyer, Bruce A.","Anion separation by selective crystallization of metal-organic frameworks.","Inorganic chemistry","2006","45","16","6446","6452","10.1021/ic060958g","","","0.71073","MoKα","","0.0296","0.0278","","","0.0571","0.0576","","","","","","1.282","","","","has coordinates","239903","2020-10-21","18:00:00",""
"4350482","9.9971","0.0009","17.1864","0.0015","8.3712","0.0007","90","","105.256","0.002","90","","1387.6","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl1.11 I0.89 N4 O Zn -","- C11 H10 Cl1.109 I0.891 N4 O Zn -","- C44 H40 Cl4.436 I3.564 N16 O4 Zn4 -","4","1","","Custelcean, Radu; Haverlock, Tamara J.; Moyer, Bruce A.","Anion separation by selective crystallization of metal-organic frameworks.","Inorganic chemistry","2006","45","16","6446","6452","10.1021/ic060958g","","","0.71073","MoKα","","0.0563","0.0449","","","0.1142","0.1188","","","","","","1.129","","","","has coordinates","239903","2020-10-21","18:00:00",""
"4350483","11.033","0.003","13.351","0.004","18.598","0.005","80.788","0.005","75.116","0.005","72.122","0.005","2509.9","1.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H45 Cl5 F3 N O3 P2 Pd S -","- C50 H45 Cl5 F3 N O3 P2 Pd S -","- C100 H90 Cl10 F6 N2 O6 P4 Pd2 S2 -","2","1","","Schuster, Oliver; Raubenheimer, Helgard G.","Synthesis of the first rNHC (remote N-heterocyclic carbene) complexes with no heteroatom in the carbene carbon-containing ring.","Inorganic chemistry","2006","45","20","7997","7999","10.1021/ic060963k","","","0.71073","MoKα","","0.0653","0.0432","","","0.0973","0.1079","","","","","","1.026","","","","has coordinates","239904","2020-10-21","18:00:00",""
"4350484","13.0756","0.0014","27.951","0.003","16.4035","0.0017","90","","100.537","0.002","90","","5894","1.1","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C47 H39 Br F3 N O3 P2 Pd S -","- C47 H39 Br F3 N O3 P2 Pd S -","- C188 H156 Br4 F12 N4 O12 P8 Pd4 S4 -","4","1","","Schuster, Oliver; Raubenheimer, Helgard G.","Synthesis of the first rNHC (remote N-heterocyclic carbene) complexes with no heteroatom in the carbene carbon-containing ring.","Inorganic chemistry","2006","45","20","7997","7999","10.1021/ic060963k","","","0.71073","MoKα","","0.0656","0.0509","","","0.1333","0.1399","","","","","","1.07","","","","has coordinates","239904","2020-10-21","18:00:00",""
"4350485","10.1637","0.0009","22.087","0.002","10.9083","0.001","90","","110.864","0.001","90","","2288.2","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H42 Br Cl6 N P2 Pd -","- C48 H42 Br Cl6 N P2 Pd -","- C96 H84 Br2 Cl12 N2 P4 Pd2 -","2","1","","Schuster, Oliver; Raubenheimer, Helgard G.","Synthesis of the first rNHC (remote N-heterocyclic carbene) complexes with no heteroatom in the carbene carbon-containing ring.","Inorganic chemistry","2006","45","20","7997","7999","10.1021/ic060963k","","","0.71073","MoKα","","0.0384","0.0372","","","0.094","0.0947","","","","","","1.065","","","","has coordinates","239904","2020-10-21","18:00:00",""
"4350486","8.272","0.005","12.9","0.007","13.942","0.008","84.277","0.01","84.374","0.009","71.511","0.009","1400.4","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H34 Cu F3 N5 O5 S2 -","- C23 H34 Cu F3 N5 O5 S2 -","- C46 H68 Cu2 F6 N10 O10 S4 -","2","1","","Lim, Mi Hee; Lippard, Stephen J.","Fluorescent nitric oxide detection by copper complexes bearing anthracenyl and dansyl fluorophore ligands.","Inorganic chemistry","2006","45","22","8980","8989","10.1021/ic0609913","","","0.71073","MoKα","","0.0542","0.0434","","","0.1029","0.1087","","","","","","1.08","","","","has coordinates","239905","2020-10-21","18:00:00",""
"4350487","21.418","0.004","8.5585","0.0017","10.154","0.002","90","","102.08","0.03","90","","1820.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cu N4 S4 -","- C40 H38 Cu N4 S4 -","- C80 H76 Cu2 N8 S8 -","2","0.5","","Lim, Mi Hee; Lippard, Stephen J.","Fluorescent nitric oxide detection by copper complexes bearing anthracenyl and dansyl fluorophore ligands.","Inorganic chemistry","2006","45","22","8980","8989","10.1021/ic0609913","","","0.71073","MoKα","","0.1107","0.0739","","","0.1324","0.1464","","","","","","1.147","","","","has coordinates","239906","2020-10-21","18:00:00",""
"4350488","13.851","0.007","23.123","0.012","13.958","0.007","90","","100.181","0.008","90","","4400","4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H45 Cu N7 O5.5 S2 -","- C45.5 H45 Cu N7 O5.5 S2 -","- C182 H180 Cu4 N28 O22 S8 -","4","1","","Lim, Mi Hee; Lippard, Stephen J.","Fluorescent nitric oxide detection by copper complexes bearing anthracenyl and dansyl fluorophore ligands.","Inorganic chemistry","2006","45","22","8980","8989","10.1021/ic0609913","","","0.71073","MoKα","","0.0825","0.0568","","","0.1462","0.1603","","","","","","1.028","","","","has coordinates,has disorder","239907","2020-10-21","18:00:00",""
"4350489","14.4874","0.001","14.4874","0.001","28.525","0.004","90","","90","","120","","5184.9","0.9","298","2","298","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C48 H48 Ag3 F18 N12 S6 Sb3 -","- C48 H48 Ag3 F18 N12 S6 Sb3 -","- C144 H144 Ag9 F54 N36 S18 Sb9 -","3","0.333333","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Huang, Ru-Qi","A novel cascade supramolecular complex with a reversible nanosized 18-component H-bonded {(C6H6)6(SbF6)12}12- cage unit templated by a chiral metal-organic complex.","Inorganic chemistry","2006","45","23","9157","9159","10.1021/ic061005l","","","0.71073","MoKα","","0.0604","0.0576","","","0.1698","0.1723","","","","","","1.078","","","","has coordinates","239908","2020-10-21","18:00:00",""
"4350490","14.459","0.01","14.459","0.01","28.49","0.018","90","","90","","120","","5158","6","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C16 H16 Ag F6 N4 S2 Sb -","- C16 H16 Ag F6 N4 S2 Sb -","- C144 H144 Ag9 F54 N36 S18 Sb9 -","9","1","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Huang, Ru-Qi","A novel cascade supramolecular complex with a reversible nanosized 18-component H-bonded {(C6H6)6(SbF6)12}12- cage unit templated by a chiral metal-organic complex.","Inorganic chemistry","2006","45","23","9157","9159","10.1021/ic061005l","","","0.71073","MoKα","","0.0636","0.0581","","","0.1586","0.1637","","","","","","1.044","","","","has coordinates","239908","2020-10-21","18:00:00",""
"4350491","10.087","0.002","10.001","0.002","19.205","0.005","90","","103.169","0.003","90","","1886.5","0.7","173.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 B Cl Mn N6 S3 -","- C12 H16 B Cl Mn N6 S3 -","- C48 H64 B4 Cl4 Mn4 N24 S12 -","4","1","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0298","","","","0.0435","","","","","","0.997","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350492","15.083","0.008","15.083","0.008","29.75","0.02","90","","90","","120","","5861","6","173.2","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H28 B Cl7 Mn N6 S3 -","- C30 H28 B Cl7 Mn N6 S3 -","- C180 H168 B6 Cl42 Mn6 N36 S18 -","6","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0617","","","","0.089","","","","","","2.114","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350493","19.501","0.004","19.501","0.004","19.687","0.004","90","","90","","120","","6484","2","173.2","","","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C49.5 H65 B Cl10 Mn N6 S3 -","- C49.5 H64 B Cl10 Mn N6 S3 -","- C198 H256 B4 Cl40 Mn4 N24 S12 -","4","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.067","","","","0.0959","","","","","","1.306","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350494","13.4412","0.0005","13.4412","0.0005","64.368","0.003","90","","90","","120","","10071.1","0.7","293.1","","","","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C27 H45 B Cl Fe N6 O1.5 S3 -","- C27 H34 B Cl Fe N6 O1.5 S3 -","- C324 H408 B12 Cl12 Fe12 N72 O18 S36 -","12","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0646","","","","0.2425","","","","","","2.118","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350495","15.0294","0.0004","15.0294","0.0004","29.929","0.001","90","","90","","120","","5854.7","0.3","293.2","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H28 B Cl7 Fe N6 S3 -","- C30 H28 B Cl7 Fe N6 S3 -","- C180 H168 B6 Cl42 Fe6 N36 S18 -","6","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0781","","","","0.1157","","","","","","2.715","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350496","9.877","0.001","13.615","0.002","18.34","0.002","95.185","0.003","95.765","0.001","97.082","0.001","2421.9","0.5","173.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C47 H62 B Cl Fe N6 O0.5 S3 -","- C47 H62 B Cl Fe N6 O0.5 S3 -","- C94 H124 B2 Cl2 Fe2 N12 O S6 -","2","1","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0411","","","","0.0593","","","","","","1.523","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350497","13.469","0.003","13.469","0.003","64.022","0.013","90","","90","","120","","10058","4","293.1","","","","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C27 H46 B Cl Co N6 O1.5 S3 -","- C27 H46 B Cl Co N6 O1.5 S3 -","- C324 H552 B12 Cl12 Co12 N72 O18 S36 -","12","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0627","","","","0.0971","","","","","","0.861","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350498","15.026","0.001","15.026","0.001","29.712","0.003","90","","90","","120","","5809.6","0.8","173.2","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H28 B Cl7 Co N6 S3 -","- C30 H28 B Cl7 Co N6 S3 -","- C180 H168 B6 Cl42 Co6 N36 S18 -","6","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0733","","","","0.1004","","","","","","2.045","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350499","19.5212","0.0004","19.5212","0.0004","19.4927","0.0004","90","","90","","120","","6433","0.2","293.2","","","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C49.5 H65 B Cl10 Co N6 S3 -","- C49.5 H64 B Cl10 Co N6 S3 -","- C198 H256 B4 Cl40 Co4 N24 S12 -","4","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0683","","","","0.0907","","","","","","1.885","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350500","9.676","0.004","13.022","0.005","14.899","0.006","90","","102.916","0.005","90","","1829.8","1.3","173.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 B Cl N6 Ni S3 -","- C12 H16 B Cl N6 Ni S3 -","- C48 H64 B4 Cl4 N24 Ni4 S12 -","4","1","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0347","","","","0.047","","","","","","1.381","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350501","9.7934","0.0007","13.1652","0.0004","14.8919","0.0002","90","","102.953","0.0005","90","","1871.18","0.15","273.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 B Br N6 Ni S3 -","- C12 H16 B Br N6 Ni S3 -","- C48 H64 B4 Br4 N24 Ni4 S12 -","4","1","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0281","","","","0.0339","","","","","","1.325","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350502","14.973","0.004","14.973","0.004","29.775","0.008","90","","90","","120","","5781","3","173.1","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H28 B Cl7 N6 Ni S3 -","- C30 H28 B Cl7 N6 Ni S3 -","- C180 H168 B6 Cl42 N36 Ni6 S18 -","6","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0578","","","","0.085","","","","","","1.343","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350503","19.522","0.0005","19.522","0.0005","19.6676","0.0003","90","","90","","120","","6491.3","0.3","273.2","","","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C49.5 H65 B Cl10 N6 Ni S3 -","- C49.5 H64 B Cl10 N6 Ni S3 -","- C198 H256 B4 Cl40 N24 Ni4 S12 -","4","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0623","","","","0.0862","","","","","","4.312","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350504","15.052","0.002","15.052","0.002","30.392","0.004","90","","90","","120","","5963.2","1.4","173.2","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H22 B Cl6 I Mn N6 S3 -","- C30 H22 B Cl6 I Mn N6 S3 -","- C180 H132 B6 Cl36 I6 Mn6 N36 S18 -","6","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0524","","","","0.0739","","","","","","1.137","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350505","13.486","0.003","13.486","0.003","66.791","0.018","90","","90","","120","","10520","4","173.1","","","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C21 H34 B Fe I N6 S3 -","- C21 H34 B Fe I N6 S3 -","- C252 H408 B12 Fe12 I12 N72 S36 -","12","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.081","","","","0.2939","","","","","","2.381","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350506","10.167","0.005","13.547","0.007","18.242","0.009","94.51","0.01","95.393","0.008","97.788","0.008","2468","2","193.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C47 H62 B Fe I N6 O0.5 S3 -","- C47 H62 B Fe I N6 O0.5 S3 -","- C94 H124 B2 Fe2 I2 N12 O S6 -","2","1","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0542","","","","0.0782","","","","","","1.5","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350507","15.01","0.001","15.01","0.001","30.252","0.004","90","","90","","120","","5902.6","1","173.2","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H28 B Cl6 Co I N6 S3 -","- C30 H28 B Cl6 Co I N6 S3 -","- C180 H168 B6 Cl36 Co6 I6 N36 S18 -","6","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0439","","","","0.0671","","","","","","1.172","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350508","19.5001","0.0005","19.5001","0.0005","20.0779","0.0008","90","","90","","120","","6611.8","0.4","173.1","","","","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C49.5 H65 B Cl9 Co I N6 S3 -","- C49.5 H64 B Cl9 Co I N6 S3 -","- C198 H256 B4 Cl36 Co4 I4 N24 S12 -","4","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0635","","","","0.098","","","","","","1.797","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350509","14.897","0.007","14.897","0.007","30.399","0.014","90","","90","","120","","5842","5","293.1","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H28 B Cl6 I N6 Ni S3 -","- C30 H22 B Cl6 I N6 Ni S3 -","- C180 H132 B6 Cl36 I6 N36 Ni6 S18 -","6","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.067","","","","0.2035","","","","","","1.388","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350510","10.184","0.005","13.571","0.007","18.114","0.009","94.9","0.01","95.12","0.008","98.155","0.009","2456","2","173.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C47 H62 B I N6 Ni O0.5 S3 -","- C47 H62 B I N6 Ni O0.5 S3 -","- C94 H124 B2 I2 N12 Ni2 O S6 -","2","1","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0343","","","","0.048","","","","","","1.13","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350511","16.7566","0.0111","8.5754","0.0052","16.698","0.0113","90","","125.169","0.006","90","","1961","2","173.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 Cl2 N4 Ni S2 -","- C14 H24 Cl2 N4 Ni S2 -","- C56 H96 Cl8 N16 Ni4 S8 -","4","0.5","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0318","","","","0.0434","","","","","","0.952","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350512","13.9351","0.0057","15.718","0.0062","15.8006","0.0065","90","","107.145","0.005","90","","3307","2","173.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H38 B Cl5 N6 Ni S3 -","- C23 H37 B Cl5 N6 Ni S3 -","- C92 H148 B4 Cl20 N24 Ni4 S12 -","4","1","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0503","","","","0.075","","","","","","1.83","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350513","16.548","0.002","12.8158","0.0014","19.342","0.003","90","0.0016","108.956","0.0019","90","0.0016","3879.5","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 B N -","- C24 H26 B N -","- C192 H208 B8 N8 -","8","2","","Agou, Tomohiro; Kobayashi, Junji; Kawashima, Takayuki","Tuning of the optical properties and Lewis acidity of dibenzopnictogenaborins by modification on bridging main group elements.","Inorganic chemistry","2006","45","22","9137","9144","10.1021/ic061055q","","x-ray","0.7107","MoKα","","0.1195","0.0569","","","0.127","0.1508","","","","","","0.911","","","","has coordinates","239911","2020-10-21","18:00:00",""
"4350514","9.304","0.002","14.747","0.004","17.336","0.005","86.36","0.008","81.222","0.008","75.856","0.007","2278.6","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H26 B O0.5 P S -","- C27.5 H26 B O0.5 P S -","- C110 H104 B4 O2 P4 S4 -","4","2","","Agou, Tomohiro; Kobayashi, Junji; Kawashima, Takayuki","Tuning of the optical properties and Lewis acidity of dibenzopnictogenaborins by modification on bridging main group elements.","Inorganic chemistry","2006","45","22","9137","9144","10.1021/ic061055q","","","0.7107","MoKα","","0.0442","0.0392","","","0.1126","0.1165","","","","","","1.058","","","","has coordinates","239912","2020-10-21","18:00:00",""
"4350515","9.254","0.003","14.834","0.007","17.483","0.008","86.106","0.015","80.21","0.014","76.791","0.013","2301.4","1.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 B P Se -","- C27 H24 B P Se -","- C108 H96 B4 P4 Se4 -","4","2","","Agou, Tomohiro; Kobayashi, Junji; Kawashima, Takayuki","Tuning of the optical properties and Lewis acidity of dibenzopnictogenaborins by modification on bridging main group elements.","Inorganic chemistry","2006","45","22","9137","9144","10.1021/ic061055q","","","0.7107","MoKα","","0.0354","0.0333","","","0.0856","0.0882","","","","","","1.066","","","","has coordinates","239913","2020-10-21","18:00:00",""
"4350516","10.3775","0.0013","38.724","0.005","18.244","0.002","90","","95.873","0.01","90","","7293","1.5","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H68 Hf N8 -","- C30 H68 Hf N8 -","- C240 H544 Hf8 N64 -","8","2","","Milanov, Andrian; Bhakta, Raghunandan; Baunemann, Arne; Becker, Hans-Werner; Thomas, Reji; Ehrhart, Peter; Winter, Manuela; Devi, Anjana","Guanidinate-stabilized monomeric hafnium amide complexes as promising precursors for MOCVD of HfO2.","Inorganic chemistry","2006","45","26","11008","11018","10.1021/ic061056i","","","0.71073","MoKα","","0.1259","0.0762","","","0.1642","0.1827","","","","","","1.094","","","","has coordinates","239914","2020-10-21","18:00:00",""
"4350517","10.8082","0.0005","17.5942","0.001","33.6626","0.0019","90","","90","","90","","6401.3","0.6","105","2","105","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","bis-(ethylmethylamido)-bis-(N,N-diisopropyl-2-ethylmethylamido-guanidinato) hafnium(IV)","","- C26 H60 Hf N8 -","- C26 H60 Hf N8 -","- C208 H480 Hf8 N64 -","8","1","","Milanov, Andrian; Bhakta, Raghunandan; Baunemann, Arne; Becker, Hans-Werner; Thomas, Reji; Ehrhart, Peter; Winter, Manuela; Devi, Anjana","Guanidinate-stabilized monomeric hafnium amide complexes as promising precursors for MOCVD of HfO2.","Inorganic chemistry","2006","45","26","11008","11018","10.1021/ic061056i","","","0.71073","MoKα","","0.1705","0.0998","","","0.1568","0.1802","","","","","","1.261","","","","has coordinates","239914","2020-10-21","18:00:00",""
"4350518","19.8714","0.0013","29.6787","0.0013","17.5709","0.0008","90","","116.313","0.006","90","","9288.9","1","105","2","105","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis-(dimethylamido)-bis-(N,N-diisopropyl-2-dimethylamido-guanidinato) hafnium(IV)","","- C24 H56.66667 Hf N8 -","- C24 H56.6667 Hf N8 -","- C288 H680 Hf12 N96 -","12","1.5","","Milanov, Andrian; Bhakta, Raghunandan; Baunemann, Arne; Becker, Hans-Werner; Thomas, Reji; Ehrhart, Peter; Winter, Manuela; Devi, Anjana","Guanidinate-stabilized monomeric hafnium amide complexes as promising precursors for MOCVD of HfO2.","Inorganic chemistry","2006","45","26","11008","11018","10.1021/ic061056i","","","0.71073","MoKα","","0.1006","0.0454","","","0.0503","0.0618","","","","","","0.885","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4350519","10.3253","0.001","11.3293","0.0011","12.1396","0.0012","100.785","0.008","112.462","0.009","110.584","0.009","1140.6","0.3","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H72 Cl2 Hf2 N18 -","- C30 H72 Cl2 Hf2 N18 -","- C30 H72 Cl2 Hf2 N18 -","1","0.5","","Milanov, Andrian; Bhakta, Raghunandan; Baunemann, Arne; Becker, Hans-Werner; Thomas, Reji; Ehrhart, Peter; Winter, Manuela; Devi, Anjana","Guanidinate-stabilized monomeric hafnium amide complexes as promising precursors for MOCVD of HfO2.","Inorganic chemistry","2006","45","26","11008","11018","10.1021/ic061056i","","","0.71073","MoKα","","0.0559","0.0413","","","0.0945","0.0977","","","","","","0.962","","","","has coordinates","239914","2020-10-21","18:00:00",""
"4350520","10.2488","0.0003","21.7109","0.0007","16.2333","0.0005","90","","98.594","0.002","90","","3571.53","0.19","165","2","165","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H40 B7 O P2 Re -","- C39 H40 B7 O P2 Re -","- C156 H160 B28 O4 P8 Re4 -","4","1","","Buckner, Steven W.; Fischer, Matthew J.; Jelliss, Paul A.; Luo, Rensheng; Minteer, Shelley D.; Rath, Nigam P.; Siemiarczuk, Aleksander","Dual fluorescence from an isonido ReIII rhenacarborane phosphine complex, [7,10-mu-H-7-CO-7,7-(PPh3)2-isonido-7,8,9-ReC2B7H9].","Inorganic chemistry","2006","45","18","7339","7347","10.1021/ic061071n","","","0.71073","MoKα","","0.0582","0.0432","","","0.072","0.0749","","","","","","1.257","","","","has coordinates","239915","2020-10-21","18:00:00",""
"4350521","9.6718","0.0019","14.229","0.003","15.428","0.003","76.06","0.03","86.31","0.03","76.17","0.03","2000.9","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","5,10,15,20-tetraphenyl-2-thia-21-carbaporphyrinato chlorocadmium(II) dichloromethane solvate, pentane hemisolvate","","- C47.5 H36 Cd Cl3 N3 S -","- C48.11 H30 Cd Cl3 N3 S -","- C96.22 H60 Cd2 Cl6 N6 S2 -","2","1","","Chmielewski, Michał J; Pawlicki, Miłosz; Sprutta, Natasza; Szterenberg, Ludmiła; Latos-Grazyński, Lechosław","Cadmium(II) and zinc(II) complexes of S-confused thiaporphyrin.","Inorganic chemistry","2006","45","21","8664","8671","10.1021/ic061091p","","","0.71073","MoKα","","0.1652","0.0764","","","0.1268","0.1476","","","","","","0.942","","","","has coordinates","239916","2020-10-21","18:00:00",""
"4350522","16.239","0.011","16.239","0.011","7.458","0.005","90","","90","","120","","1703","2","150","2","150","2","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C21 H11.8 N3 O13.4 Y2 -","- C21 H9 N3 O12 Y2 -","- C42 H18 N6 O24 Y4 -","2","0.166667","","Jia, Junhua; Lin, Xiang; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Shao, Limin; Walker, Gavin; Wilson, Claire; Schröder, Martin","Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials.","Inorganic chemistry","2006","45","22","8838","8840","10.1021/ic061095u","","","0.71073","MoKα","","0.106","0.0783","","","0.223","0.233","","","","","","1.09","","","","has coordinates","239917","2020-10-21","18:00:00",""
"4350523","16.224","0.005","16.224","0.005","7.412","0.002","90","","90","","120","","1689.6","0.9","150","2","150","2","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C21 H15 Er2 N3 O15 -","- C21 H9 Er2 N3 O12 -","- C42 H18 Er4 N6 O24 -","2","0.166667","","Jia, Junhua; Lin, Xiang; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Shao, Limin; Walker, Gavin; Wilson, Claire; Schröder, Martin","Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials.","Inorganic chemistry","2006","45","22","8838","8840","10.1021/ic061095u","","","0.71073","MoKα","","0.0707","0.0552","","","0.134","0.142","","","","","","1.07","","","","has coordinates","239918","2020-10-21","18:00:00",""
"4350524","8.5083","0.0014","28.452","0.005","15.704","0.003","90","","90","","90","","3801.6","1.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H25 N5 O15 Y2 -","- C27 H15 N5 O14 Y2 -","- C108 H60 N20 O56 Y8 -","4","0.5","","Jia, Junhua; Lin, Xiang; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Shao, Limin; Walker, Gavin; Wilson, Claire; Schröder, Martin","Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials.","Inorganic chemistry","2006","45","22","8838","8840","10.1021/ic061095u","","","0.6886","synchrotron","","0.1116","0.0544","","","0.1279","0.1453","","","","","","0.87","","","","has coordinates,has disorder","239919","2020-10-21","18:00:00",""
"4350525","8.438","0.003","27.795","0.01","15.934","0.006","90","","90","","90","","3737","2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H38 Er2 N5 O21.5 -","- C27 H21 Er2 N5 O14 -","- C108 H84 Er8 N20 O56 -","4","0.5","","Jia, Junhua; Lin, Xiang; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Shao, Limin; Walker, Gavin; Wilson, Claire; Schröder, Martin","Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials.","Inorganic chemistry","2006","45","22","8838","8840","10.1021/ic061095u","","","0.71073","MoKα","","0.052","0.0413","","","0.1004","0.1035","","","","","","1.069","","","","has coordinates,has disorder","239920","2020-10-21","18:00:00",""
"4350526","13.167","0.001","26.307","0.002","15.522","0.001","90","","92.297","0.005","90","","5372.3","0.7","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56.25 H77 N6 Pd2 -","- C56.25 H77 N6 Pd2 -","- C225 H308 N24 Pd8 -","4","1","","Deeken, Stefan; Motz, Günter; Bezugly, Viktor; Borrmann, Horst; Wagner, Frank R.; Kempe, Rhett","Metal-metal bonding in sterically frustrated dipalladium species.","Inorganic chemistry","2006","45","23","9160","9162","10.1021/ic0610987","","","0.71069","MoKα","","0.0571","0.0413","","","0.1262","0.1338","","","","","","1.004","","","","has coordinates","239921","2020-10-21","18:00:00",""
"4350527","9.5004","0.0013","12.6315","0.0018","6.9678","0.001","90","","131.617","0.002","90","","625.12","0.15","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H Br Cu N1.5 -","- C H Br Cu N1.5 -","- C8 H8 Br8 Cu8 N12 -","8","1","","Ouellette, Wayne; Prosvirin, Andrey V.; Chieffo, Vincent; Dunbar, Kim R.; Hudson, Bruce; Zubieta, Jon","Solid-state coordination chemistry of the Cu/triazolate/X system (X = F-, Cl-, Br-, I-, OH-, and SO4(2-)).","Inorganic chemistry","2006","45","23","9346","9366","10.1021/ic061102e","","x-ray","0.71073","MoKα","","0.0202","0.019","","","0.0488","0.0492","","","","","","1.282","","","","has coordinates","239922","2020-10-21","18:00:00",""
"4350528","8.9307","0.0006","12.8226","0.0009","7.9821","0.0006","90","","90","","90","","914.07","0.11","90","2","90","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C4 H7 Cu1.5 F N6 O1.5 -","- C4 H4 Cu1.5 F N6 O1.5 -","- C16 H16 Cu6 F4 N24 O6 -","4","1","","Ouellette, Wayne; Prosvirin, Andrey V.; Chieffo, Vincent; Dunbar, Kim R.; Hudson, Bruce; Zubieta, Jon","Solid-state coordination chemistry of the Cu/triazolate/X system (X = F-, Cl-, Br-, I-, OH-, and SO4(2-)).","Inorganic chemistry","2006","45","23","9346","9366","10.1021/ic061102e","","x-ray","0.71073","MoKα","","0.0303","0.0288","","","0.0763","0.0777","","","","","","1.11","","","","has coordinates","239923","2020-10-21","18:00:00",""
"4350529","28.6782","0.0014","28.6782","0.0014","6.527","0.0006","90","","90","","90","","5368.1","0.6","98","2","90","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C2 H2.25 Br1.25 Cu2.5 N3 O0.25 -","- C2 H2 Br0.25 Cu1.5 N3 -","- C64 H64 Br8 Cu48 N96 -","32","1","","Ouellette, Wayne; Prosvirin, Andrey V.; Chieffo, Vincent; Dunbar, Kim R.; Hudson, Bruce; Zubieta, Jon","Solid-state coordination chemistry of the Cu/triazolate/X system (X = F-, Cl-, Br-, I-, OH-, and SO4(2-)).","Inorganic chemistry","2006","45","23","9346","9366","10.1021/ic061102e","","x-ray","0.71073","MoKα","","0.0702","0.0601","","","0.119","0.1204","","","","","","1.088","","","","has coordinates","239924","2020-10-21","18:00:00",""
"4350530","6.7716","0.0004","6.8885","0.0005","12.3605","0.0008","90","","90","","90","","576.57","0.07","90","2","90","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C H Cl Cu N1.5 -","- C H Cl Cu N1.5 -","- C8 H8 Cl8 Cu8 N12 -","8","1","","Ouellette, Wayne; Prosvirin, Andrey V.; Chieffo, Vincent; Dunbar, Kim R.; Hudson, Bruce; Zubieta, Jon","Solid-state coordination chemistry of the Cu/triazolate/X system (X = F-, Cl-, Br-, I-, OH-, and SO4(2-)).","Inorganic chemistry","2006","45","23","9346","9366","10.1021/ic061102e","","x-ray","0.71073","MoKα","","0.025","0.0225","","","0.0505","0.0524","","","","","","1.229","","","","has coordinates","239925","2020-10-21","18:00:00",""
"4350531","9.7141","0.0009","4.0899","0.0004","21.067","0.002","90","","98.896","0.002","90","","826.92","0.14","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C2 H2 Cu3 I2 N3 -","- C2 H2 Cu3 I2 N3 -","- C8 H8 Cu12 I8 N12 -","4","1","","Ouellette, Wayne; Prosvirin, Andrey V.; Chieffo, Vincent; Dunbar, Kim R.; Hudson, Bruce; Zubieta, Jon","Solid-state coordination chemistry of the Cu/triazolate/X system (X = F-, Cl-, Br-, I-, OH-, and SO4(2-)).","Inorganic chemistry","2006","45","23","9346","9366","10.1021/ic061102e","","x-ray","0.71073","MoKα","","0.0352","0.031","","","0.072","0.0739","","","","","","1.147","","","","has coordinates","239926","2020-10-21","18:00:00",""
"4350532","7.3624","0.0008","8.6798","0.0009","14.3089","0.0015","86.401","0.002","83.16","0.002","81.975","0.002","898.01","0.16","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Br2 Cu6 N12 -","- C8 H8 Br2 Cu6 N12 -","- C16 H16 Br4 Cu12 N24 -","2","1","","Ouellette, Wayne; Prosvirin, Andrey V.; Chieffo, Vincent; Dunbar, Kim R.; Hudson, Bruce; Zubieta, Jon","Solid-state coordination chemistry of the Cu/triazolate/X system (X = F-, Cl-, Br-, I-, OH-, and SO4(2-)).","Inorganic chemistry","2006","45","23","9346","9366","10.1021/ic061102e","","x-ray","0.71073","MoKα","","0.0436","0.0331","","","0.0621","0.0696","","","","","","1.058","","","","has coordinates","239927","2020-10-21","18:00:00",""
"4350533","7.4022","0.0004","11.0853","0.0006","19.2932","0.001","90","","90","","90","","1583.12","0.15","90","2","90","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C2 H2 Cu2.5 I2 N3 -","- C2 H2 Cu2.5005 I2 N3 -","- C16 H16 Cu20.004 I16 N24 -","8","1","","Ouellette, Wayne; Prosvirin, Andrey V.; Chieffo, Vincent; Dunbar, Kim R.; Hudson, Bruce; Zubieta, Jon","Solid-state coordination chemistry of the Cu/triazolate/X system (X = F-, Cl-, Br-, I-, OH-, and SO4(2-)).","Inorganic chemistry","2006","45","23","9346","9366","10.1021/ic061102e","","x-ray","0.71073","MoKα","","0.0546","0.054","","","0.1343","0.1348","","","","","","1.053","","","","has coordinates,has disorder","239928","2020-10-21","18:00:00",""
"4350534","7.2342","0.0014","17.393","0.002","23.354","0.002","90","","91.61","0.03","90","","2937.3","0.7","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cu8 N18 O15 S3 -","- C12 H12 Cu8 N18 O15 S3 -","- C48 H48 Cu32 N72 O60 S12 -","4","1","","Ouellette, Wayne; Prosvirin, Andrey V.; Chieffo, Vincent; Dunbar, Kim R.; Hudson, Bruce; Zubieta, Jon","Solid-state coordination chemistry of the Cu/triazolate/X system (X = F-, Cl-, Br-, I-, OH-, and SO4(2-)).","Inorganic chemistry","2006","45","23","9346","9366","10.1021/ic061102e","","x-ray","0.71073","MoKα","","0.084","0.0823","","","0.1649","0.1684","","","","","","1.072","","","","has coordinates","239929","2020-10-21","18:00:00",""
"4350535","6.5561","0.0006","21.983","0.002","39.775","0.004","90","","90","","90","","5732.5","0.9","90","2","90","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H22 Cu4 N9 O8.5 -","- C6 H6 Cu4 N9 -","- C96 H96 Cu64 N144 -","16","1","","Ouellette, Wayne; Prosvirin, Andrey V.; Chieffo, Vincent; Dunbar, Kim R.; Hudson, Bruce; Zubieta, Jon","Solid-state coordination chemistry of the Cu/triazolate/X system (X = F-, Cl-, Br-, I-, OH-, and SO4(2-)).","Inorganic chemistry","2006","45","23","9346","9366","10.1021/ic061102e","","x-ray","0.71073","MoKα","","0.0834","0.083","","","0.1848","0.185","","","","","","1.08","","","","has coordinates","239930","2020-10-21","18:00:00",""
"4350536","9.6646","0.0011","10.552","0.0013","12.6177","0.0015","107.239","0.002","99.844","0.002","113.682","0.002","1061.8","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H18 Cu3 I3 N6 S3 -","- C9 H18 Cu3 I3 N6 S3 -","- C18 H36 Cu6 I6 N12 S6 -","2","1","","Lobana, Tarlok S.; Sharma, Renu; Hundal, Geeta; Butcher, R. J.","Synthesis of 1D {Cu6(mu3-SC3H6N2)4(mu-SC3H6N2)2(mu-I)2I4}n and 3D {Cu2(mu-SC3H6N2)2(mu-SCN)2}n polymers with 1,3-imidazolidine-2-thione: bond isomerism in polymers.","Inorganic chemistry","2006","45","23","9402","9409","10.1021/ic061115s","","","0.71073","MoKα","","0.0352","0.0333","","","0.0884","0.0898","","","","","","1.108","","","","has coordinates","239931","2020-10-21","18:00:00",""
"4350537","7.864","0.003","14.328","0.006","6.737","0.002","90","","100.07","0.03","90","","747.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Cu N3 S2 -","- C4 H6 Cu N3 S2 -","- C16 H24 Cu4 N12 S8 -","4","1","","Lobana, Tarlok S.; Sharma, Renu; Hundal, Geeta; Butcher, R. J.","Synthesis of 1D {Cu6(mu3-SC3H6N2)4(mu-SC3H6N2)2(mu-I)2I4}n and 3D {Cu2(mu-SC3H6N2)2(mu-SCN)2}n polymers with 1,3-imidazolidine-2-thione: bond isomerism in polymers.","Inorganic chemistry","2006","45","23","9402","9409","10.1021/ic061115s","","","0.71073","MoKα","","0.0457","0.0363","","","0.0926","0.0983","","","","","","1.063","","","","has coordinates","239931","2020-10-21","18:00:00",""
"4350538","19.42","0.007","7.686","0.003","16.706","0.006","90","","115.844","0.006","90","","2244.2","1.4","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cu2Br2(Imidazolidine-2-thione)4","","","- C12 H24 Br2 Cu2 N8 S4 -","- C12 H24 Br2 Cu2 N8 S4 -","- C48 H96 Br8 Cu8 N32 S16 -","4","0.5","","Lobana, Tarlok S.; Sharma, Renu; Hundal, Geeta; Butcher, R. J.","Synthesis of 1D {Cu6(mu3-SC3H6N2)4(mu-SC3H6N2)2(mu-I)2I4}n and 3D {Cu2(mu-SC3H6N2)2(mu-SCN)2}n polymers with 1,3-imidazolidine-2-thione: bond isomerism in polymers.","Inorganic chemistry","2006","45","23","9402","9409","10.1021/ic061115s","","","0.71073","MoKα","","0.0269","0.0228","","","0.0547","0.0556","","","","","","1.076","","","","has coordinates","239931","2020-10-21","18:00:00",""
"4350539","7.45","0.0006","18.4965","0.0015","16.2131","0.0014","90","","95.036","0.002","90","","2225.5","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl2 Cu2 N8 S4 -","- C12 H24 Cl2 Cu2 N8 S4 -","- C48 H96 Cl8 Cu8 N32 S16 -","4","1","","Lobana, Tarlok S.; Sharma, Renu; Hundal, Geeta; Butcher, R. J.","Synthesis of 1D {Cu6(mu3-SC3H6N2)4(mu-SC3H6N2)2(mu-I)2I4}n and 3D {Cu2(mu-SC3H6N2)2(mu-SCN)2}n polymers with 1,3-imidazolidine-2-thione: bond isomerism in polymers.","Inorganic chemistry","2006","45","23","9402","9409","10.1021/ic061115s","","","0.71073","MoKα","","0.0726","0.0392","","","0.0837","0.0984","","","","","","1.002","","","","has coordinates","239931","2020-10-21","18:00:00",""
"4350540","52.613","0.003","10.3927","0.0007","15.8084","0.001","90","","102.675","0.001","90","","8433.2","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl2 N8 O8 Ru -","- C24 H26 Cl2 N8 O8 Ru -","- C288 H312 Cl24 N96 O96 Ru12 -","12","1.5","","Abrahamsson, Maria; Hammarström, Leif; Tocher, Derek A.; Nag, Samik; Datta, Dipankar","Modulation of the lowest metal-to-ligand charge-transfer state in [Ru(bpy)2(N-N)]2+ systems by changing the N-N from hydrazone to azine: photophysical consequences.","Inorganic chemistry","2006","45","23","9580","9586","10.1021/ic061116k","","","0.71073","MoKα","","0.0717","0.0509","","","0.1101","0.1189","","","","","","1.015","","","","has coordinates","239932","2020-10-21","18:00:00",""
"4350541","14.728","0.015","13.149","0.011","19.335","0.015","90","","109.61","0.03","90","","3527","5","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","(PPh4)2[MoO(Se-2-CH3CONHC6H4)4]","","- C80 H72 Mo N4 O5 P2 Se4 -","- C80 H72 Mo N4 O5 P2 Se4 -","- C160 H144 Mo2 N8 O10 P4 Se8 -","2","1","","Okamura, Taka-Aki; Taniuchi, Kaku; Lee, Keonil; Yamamoto, Hitoshi; Ueyama, Norikazu; Nakamura, Akira","Crystal structures and 77Se NMR spectra of molybdenum(IV) areneselenolates having intramolecular NH...Se hydrogen bonds.","Inorganic chemistry","2006","45","23","9374","9380","10.1021/ic061140y","","","0.71075","MoKα","","0.1019","0.0475","","","0.0591","0.0668","","","","","","0.644","","","","has coordinates","239933","2020-10-21","18:00:00",""
"4350542","12.624","0.009","13.42","0.008","13.886","0.009","61.934","0.017","66.77","0.02","69.349","0.018","1867","2","100","","100","","","","","","","","","8","P -1","-P 1","2","","(PPh4)2[MoO(Se-2-CF3CONHC6H4)4]","","- C80 H60 F12 Mo N4 O5 P2 Se4 -","- C80 H60 F12 Mo N4 O5 P2 Se4 -","- C80 H60 F12 Mo N4 O5 P2 Se4 -","1","0.5","","Okamura, Taka-Aki; Taniuchi, Kaku; Lee, Keonil; Yamamoto, Hitoshi; Ueyama, Norikazu; Nakamura, Akira","Crystal structures and 77Se NMR spectra of molybdenum(IV) areneselenolates having intramolecular NH...Se hydrogen bonds.","Inorganic chemistry","2006","45","23","9374","9380","10.1021/ic061140y","","","0.71075","MoKα","","0.0662","0.0429","","","0.0832","0.0867","","","","","","1","","","","has coordinates","239933","2020-10-21","18:00:00",""
"4350543","10.6731","0.0019","10.5596","0.0016","11.425","0.002","90","","100.666","0.006","90","","1265.4","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 Fe N O10 -","- C25 H29 Fe N O10 -","- C50 H58 Fe2 N2 O20 -","2","1","","Ferreira, Cara L.; Ewart, Charles B.; Barta, Cheri A.; Little, Susan; Yardley, Vanessa; Martins, Candice; Polishchuk, Elena; Smith, Peter J.; Moss, John R.; Merkel, Michael; Adam, Michael J.; Orvig, Chris","Synthesis, structure, and biological activity of ferrocenyl carbohydrate conjugates.","Inorganic chemistry","2006","45","20","8414","8422","10.1021/ic061166p","","","0.71073","MoKα","","0.0423","0.0313","","","0.0674","0.0699","","","","","","1.003","","","","has coordinates","239934","2020-10-21","18:00:00",""
"4350544","6.103","0.001","8.473","0.002","19.341","0.005","90","","97.24","0.02","90","","992.2","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 Fe N O7 -","- C19 H27 Fe N O7 -","- C38 H54 Fe2 N2 O14 -","2","1","","Ferreira, Cara L.; Ewart, Charles B.; Barta, Cheri A.; Little, Susan; Yardley, Vanessa; Martins, Candice; Polishchuk, Elena; Smith, Peter J.; Moss, John R.; Merkel, Michael; Adam, Michael J.; Orvig, Chris","Synthesis, structure, and biological activity of ferrocenyl carbohydrate conjugates.","Inorganic chemistry","2006","45","20","8414","8422","10.1021/ic061166p","","","0.71073","MoKα","","0.0856","0.0554","","","0.1053","0.1154","","","","","","0.984","","","","has coordinates,has disorder","239935","2020-10-21","18:00:00",""
"4350545","10.7128","0.0008","7.856","0.0005","15.7821","0.0011","90","","97.001","0.003","90","","1318.31","0.16","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 Fe O10 S -","- C25 H28 Fe O10 S -","- C50 H56 Fe2 O20 S2 -","2","1","","Ferreira, Cara L.; Ewart, Charles B.; Barta, Cheri A.; Little, Susan; Yardley, Vanessa; Martins, Candice; Polishchuk, Elena; Smith, Peter J.; Moss, John R.; Merkel, Michael; Adam, Michael J.; Orvig, Chris","Synthesis, structure, and biological activity of ferrocenyl carbohydrate conjugates.","Inorganic chemistry","2006","45","20","8414","8422","10.1021/ic061166p","","","0.71073","MoKα","","0.0709","0.0413","","","0.0729","0.0809","","","","","","1.012","","","","has coordinates","239936","2020-10-21","18:00:00",""
"4350546","10.2998","0.0006","10.5426","0.0006","12.0585","0.0007","90","","109.832","0.002","90","","1231.73","0.12","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","[GdMoO4]2[Mo2O4EDTA]","","","- C10 H16 Gd2 Mo4 N2 O22 -","- C10 H12 Gd2 Mo4 N2 O22 -","- C20 H24 Gd4 Mo8 N4 O44 -","2","0.5","","Luo, Junjian; Xu, Li","Layered lanthanide molybdate pillared by chiral [lambda-Mo2O4EDTA]2-.","Inorganic chemistry","2006","45","26","11030","11034","10.1021/ic0611793","","","0.71073","MoKα","","0.0362","0.0346","","","0.0906","0.0917","","","","","","1.554","","","","has coordinates","239937","2020-10-21","18:00:00",""
"4350547","10.3383","0.0018","10.5558","0.0012","12.0715","0.0018","90","","109.823","0.005","90","","1239.3","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","[(H2O)EuMoO4][Mo2O4EDTA]","","","- C10 H16 Eu2 Mo4 N2 O22 -","- C10 H16 Eu2 Mo4 N2 O22 -","- C20 H32 Eu4 Mo8 N4 O44 -","2","0.5","","Luo, Junjian; Xu, Li","Layered lanthanide molybdate pillared by chiral [lambda-Mo2O4EDTA]2-.","Inorganic chemistry","2006","45","26","11030","11034","10.1021/ic0611793","","","0.71073","MoKα","","0.0215","0.0208","","","0.0394","0.0396","","","","","","0.914","","","","has coordinates","239937","2020-10-21","18:00:00",""
"4350548","24.21","0.004","21.279","0.005","27.345","0.006","90","","90","","90","","14087","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C82 H72 F6 Fe2 Ni P5 -","- C82 H56 F6 Fe2 Ni P5 -","- C656 H448 F48 Fe16 Ni8 P40 -","8","1","","Pilloni, Giuseppe; Toffoletti, Antonio; Bandoli, Giuliano; Longato, Bruno","Homoleptic complexes of cobalt(0) and nickel(0,I) with 1,1'-bis(diphenylphosphino)ferrocene (dppf): synthesis and characterization.","Inorganic chemistry","2006","45","25","10321","10328","10.1021/ic061185z","","","0.71073","MoKα","","0.1395","0.0787","","","0.1454","0.1868","","","","","","1.135","","","","has coordinates","239938","2020-10-21","18:00:00",""
"4350549","13.1209","0.0012","15.1829","0.0014","15.6249","0.0015","108.778","0.002","102.082","0.002","95.916","0.002","2832.5","0.5","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H78 Cl5 Cu3 N11 O6 -","- C41 H78 Cl5 Cu3 N11 O6 -","- C82 H156 Cl10 Cu6 N22 O12 -","2","1","","Mezei, Gellert; Raptis, Raphael G.; Telser, Joshua","Trinuclear, antiferromagnetically coupled Cu(II) complex with an EPR spectrum of mononuclear Cu(II): effect of alcoholic solvents.","Inorganic chemistry","2006","45","22","8841","8843","10.1021/ic061186r","","","0.71073","MoKα","","0.0922","0.0401","","","0.0914","0.1243","","","","","","0.914","","","","has coordinates","239939","2020-10-21","18:00:00",""
"4350550","9.062","0.004","25.341","0.01","17.698","0.007","90","","99.307","0.007","90","","4011","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H45 Cl3 Cu3 N10 O7 -","- C26 H45 Cl3 Cu3 N10 O7 -","- C104 H180 Cl12 Cu12 N40 O28 -","4","1","","Mezei, Gellert; Raptis, Raphael G.; Telser, Joshua","Trinuclear, antiferromagnetically coupled Cu(II) complex with an EPR spectrum of mononuclear Cu(II): effect of alcoholic solvents.","Inorganic chemistry","2006","45","22","8841","8843","10.1021/ic061186r","","","0.71073","MoKα","","0.1086","0.0537","","","0.122","0.1474","","","","","","0.946","","","","has coordinates","239939","2020-10-21","18:00:00",""
"4350551","10.2032","0.001","17.2968","0.0017","17.3698","0.0017","114.253","0.002","97.668","0.002","91.018","0.002","2761","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H49 Cl3 Cu3 N10 O10 P2 -","- C48 H49 Cl3 Cu3 N10 O10 P2 -","- C96 H98 Cl6 Cu6 N20 O20 P4 -","2","1","","Mezei, Gellert; Raptis, Raphael G.; Telser, Joshua","Trinuclear, antiferromagnetically coupled Cu(II) complex with an EPR spectrum of mononuclear Cu(II): effect of alcoholic solvents.","Inorganic chemistry","2006","45","22","8841","8843","10.1021/ic061186r","","","0.71073","MoKα","","0.048","0.0326","","","0.0765","0.0834","","","","","","1.013","","","","has coordinates","239939","2020-10-21","18:00:00",""
"4350552","9.5332","0.0019","14.644","0.003","16.866","0.003","112.392","0.003","91.656","0.003","101.022","0.004","2123.4","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H55 Cl3 Cu3 N10 O9 -","- C29 H49 Cl3 Cu3 N10 O9 -","- C58 H98 Cl6 Cu6 N20 O18 -","2","1","","Mezei, Gellert; Raptis, Raphael G.; Telser, Joshua","Trinuclear, antiferromagnetically coupled Cu(II) complex with an EPR spectrum of mononuclear Cu(II): effect of alcoholic solvents.","Inorganic chemistry","2006","45","22","8841","8843","10.1021/ic061186r","","","0.71073","MoKα","","0.0526","0.0388","","","0.1027","0.1102","","","","","","1.045","","","","has coordinates","239939","2020-10-21","18:00:00",""
"4350553","9.6526","0.0011","22.08","0.003","17.711","0.002","90","","101.483","0.002","90","","3699.2","0.8","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H43 Cl3 Cu3 N10 O7 -","- C25 H43 Cl3 Cu3 N10 O7 -","- C100 H172 Cl12 Cu12 N40 O28 -","4","1","","Mezei, Gellert; Raptis, Raphael G.; Telser, Joshua","Trinuclear, antiferromagnetically coupled Cu(II) complex with an EPR spectrum of mononuclear Cu(II): effect of alcoholic solvents.","Inorganic chemistry","2006","45","22","8841","8843","10.1021/ic061186r","","","0.71073","MoKα","","0.0482","0.0294","","","0.0745","0.0878","","","","","","0.989","","","","has coordinates","239939","2020-10-21","18:00:00",""
"4350554","7.535","0.005","21.513","0.005","10.466","0.005","90","","96.666","0.005","90","","1685.1","1.4","153","2","153","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H17 Mn N O5 -","- C17 H17 Mn N O5 -","- C68 H68 Mn4 N4 O20 -","4","1","","Moon, Hoi Ri; Kobayashi, Norihito; Suh, Myunghyun Paik","Porous metal-organic framework with coordinatively unsaturated Mn(II) sites:sorption properties for various gases.","Inorganic chemistry","2006","45","21","8672","8676","10.1021/ic0611948","","x-ray","0.71069","MoKα","","0.0834","0.0457","","","0.0996","0.1108","","","","","","0.995","","","","has coordinates","239940","2020-10-21","18:00:00",""
"4350555","11.9318","0.0009","12.5446","0.0009","20.7065","0.0015","90","","90","","90","","3099.3","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(SIPr)Cu(NHPh)","","","- C33 H44 Cu N3 -","- C33 H44 Cu N3 -","- C132 H176 Cu4 N12 -","4","1","","Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Pierpont, Aaron W.; Petersen, Jeffrey L.; Boyle, Paul D.","Chemistry surrounding monomeric copper(I) methyl, phenyl, anilido, ethoxide, and phenoxide complexes supported by N-heterocyclic carbene ligands: reactivity consistent with both early and late transition metal systems.","Inorganic chemistry","2006","45","22","9032","9045","10.1021/ic0611995","","","0.71073","MoKα","","0.0605","0.0408","","","0.0931","0.1032","","","","","","1.019","","","","has coordinates","239941","2020-10-21","18:00:00",""
"4350556","17.434","0.003","12.791","0.002","13.284","0.002","90","","93.2","0.004","90","","2957.7","0.8","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","(SIPr)Cu(OEt)","","","- C29 H43 Cu N2 O -","- C29 H43 Cu N2 O -","- C116 H172 Cu4 N8 O4 -","4","1","","Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Pierpont, Aaron W.; Petersen, Jeffrey L.; Boyle, Paul D.","Chemistry surrounding monomeric copper(I) methyl, phenyl, anilido, ethoxide, and phenoxide complexes supported by N-heterocyclic carbene ligands: reactivity consistent with both early and late transition metal systems.","Inorganic chemistry","2006","45","22","9032","9045","10.1021/ic0611995","","","0.71073","MoKα","","0.1676","0.0649","","","0.1311","0.1632","","","","","","0.924","","","","has coordinates","239941","2020-10-21","18:00:00",""
"4350557","12.115","0.002","14.279","0.002","22.971","0.004","77.627","0.003","86.06","0.003","71.445","0.003","3679.7","1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(SIPr)Cu(OPh)","","","- C38.25 H49 Cu N2 O -","- C33 H43 Cu N2 O -","- C132 H172 Cu4 N8 O4 -","4","2","","Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Pierpont, Aaron W.; Petersen, Jeffrey L.; Boyle, Paul D.","Chemistry surrounding monomeric copper(I) methyl, phenyl, anilido, ethoxide, and phenoxide complexes supported by N-heterocyclic carbene ligands: reactivity consistent with both early and late transition metal systems.","Inorganic chemistry","2006","45","22","9032","9045","10.1021/ic0611995","","","0.71073","MoKα","","0.1984","0.0677","","","0.1455","0.1722","","","","","","0.716","","","","has coordinates","239941","2020-10-21","18:00:00",""
"4350558","16.826","0.0009","23.1927","0.0013","15.4484","0.0012","90","","120.164","0.002","90","","5212.3","0.6","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(IMes)Cu(OPh)","","","- C30 H32 Cu N2 O -","- C30 H32 Cu N2 O -","- C240 H256 Cu8 N16 O8 -","8","1","","Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Pierpont, Aaron W.; Petersen, Jeffrey L.; Boyle, Paul D.","Chemistry surrounding monomeric copper(I) methyl, phenyl, anilido, ethoxide, and phenoxide complexes supported by N-heterocyclic carbene ligands: reactivity consistent with both early and late transition metal systems.","Inorganic chemistry","2006","45","22","9032","9045","10.1021/ic0611995","","","0.71073","MolybdenumKα","","0.049","0.044","","0.057","","0.056","","","","","","1.75","","","","has coordinates","276337","2022-06-28","15:45:15",""
"4350559","12.1602","0.0008","24.5344","0.0015","16.4754","0.0011","90","","90","","90","","4915.3","0.6","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","(tBu2Bob)titanium(IV) bis(2,6-diisopropylphenoxide) diethyl etherate","(2,2'-Biphenylbis(4-t-butyl-2,4-butanedionato))titanium(IV) bis (2,6-diisopropylphenoxide) diethyl etherate","","- C56 H76 O7 Ti -","- C56 H76 O7 Ti -","- C224 H304 O28 Ti4 -","4","0.5","","Ugrinova, Vesela; Noll, Bruce C.; Brown, Seth N.","Mononucleating bis(beta-diketonate) ligands and their titanium(IV) complexes.","Inorganic chemistry","2006","45","25","10309","10320","10.1021/ic061201s","","","0.71073","MoKα","","0.0573","0.0458","","","0.1213","0.1309","","","","","","1.085","","","","has coordinates","239942","2020-10-21","18:00:00",""
"4350560","19.8094","0.0008","20.0119","0.0008","18.8586","0.0007","90","","113.367","0.002","90","","6862.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(Tol2Bob)Ti(OiPr)(OEt2)]BArF","(2,2'-Bis(4-p-tolyl-2,4-butanedionato)biphenyl)(isopropoxy)(diethyl ether)titanium(IV) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C73 H57 B F24 O6 Ti -","- C73 H57 B F24 O6 Ti -","- C292 H228 B4 F96 O24 Ti4 -","4","1","","Ugrinova, Vesela; Noll, Bruce C.; Brown, Seth N.","Mononucleating bis(beta-diketonate) ligands and their titanium(IV) complexes.","Inorganic chemistry","2006","45","25","10309","10320","10.1021/ic061201s","","","0.71073","MoKα","","0.0621","0.0464","","","0.1171","0.1326","","","","","","1.034","","","","has coordinates","239942","2020-10-21","18:00:00",""
"4350561","13.537","0.003","15.127","0.003","19.89","0.004","90","","107.89","0.03","90","","3876","1.5","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Cl3 Fe N12 O13 -","- C33 H29 Cl3 Fe N12 O13 -","- C132 H116 Cl12 Fe4 N48 O52 -","4","1","","Rajadurai, Chandrasekar; Schramm, Frank; Brink, Susan; Fuhr, Olaf; Ghafari, Mohamed; Kruk, Robert; Ruben, Mario","Spin transition in a chainlike supramolecular iron(II) complex.","Inorganic chemistry","2006","45","25","10019","10021","10.1021/ic0612350","","","0.71073","MoKα","","0.1277","0.0837","","","0.2114","0.2429","","","","","","0.98","","","","has coordinates,has disorder","239943","2020-10-21","18:00:00",""
"4350562","21.5219","0.0003","28.3611","0.0005","33.4189","0.0006","90","","90","","90","","20398.4","0.6","150","1","150","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C97 H90 Cl18 N16 Ni4 O8 -","- C97 H90 Cl18 N16 Ni4 O8 -","- C776 H720 Cl144 N128 Ni32 O64 -","8","0.25","","López, Xavier; Huang, Ming-Yi; Huang, Gin-Chen; Peng, Shie-Ming; Li, Feng-Yin; Bénard, Marc; Rohmer, Marie-Madeleine","Even-numbered metal chain complexes: synthesis, characterization, and DFT analysis of [Ni4(mu4-Tsdpda)4(H2O)2] (Tsdpda2- = N-(p-toluenesulfonyl)dipyridyldiamido), [Ni4(mu4-Tsdpda)4]+, and related Ni4 string complexes.","Inorganic chemistry","2006","45","22","9075","9084","10.1021/ic0612505","","","0.71073","MoKα","","0.0828","0.0555","","","0.1583","0.1771","","","","","","1.084","","","","has coordinates","239944","2020-10-21","18:00:00",""
"4350563","13.3384","0.0002","21.1767","0.0004","25.5458","0.0004","90","","98.2406","0.0009","90","","7141.2","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H64 Cl2 N16 Ni4 O10 S4 -","- C70 H64 Cl2 N16 Ni4 O10 S4 -","- C280 H256 Cl8 N64 Ni16 O40 S16 -","4","1","","López, Xavier; Huang, Ming-Yi; Huang, Gin-Chen; Peng, Shie-Ming; Li, Feng-Yin; Bénard, Marc; Rohmer, Marie-Madeleine","Even-numbered metal chain complexes: synthesis, characterization, and DFT analysis of [Ni4(mu4-Tsdpda)4(H2O)2] (Tsdpda2- = N-(p-toluenesulfonyl)dipyridyldiamido), [Ni4(mu4-Tsdpda)4]+, and related Ni4 string complexes.","Inorganic chemistry","2006","45","22","9075","9084","10.1021/ic0612505","","","0.71073","MoKα","","0.1008","0.0559","","","0.1464","0.1707","","","","","","1.009","","","","has coordinates","239944","2020-10-21","18:00:00",""
"4350564","17.7808","0.0005","14.4123","0.0004","35.9154","0.001","90","","101.076","0.0006","90","","9032.3","0.4","150","1","150","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C78 H76 B Cl10 F4 N16 Ni4 O8 S4 -","- C78 H76 B Cl10 F4 N16 Ni4 O8 S4 -","- C312 H304 B4 Cl40 F16 N64 Ni16 O32 S16 -","4","1","","López, Xavier; Huang, Ming-Yi; Huang, Gin-Chen; Peng, Shie-Ming; Li, Feng-Yin; Bénard, Marc; Rohmer, Marie-Madeleine","Even-numbered metal chain complexes: synthesis, characterization, and DFT analysis of [Ni4(mu4-Tsdpda)4(H2O)2] (Tsdpda2- = N-(p-toluenesulfonyl)dipyridyldiamido), [Ni4(mu4-Tsdpda)4]+, and related Ni4 string complexes.","Inorganic chemistry","2006","45","22","9075","9084","10.1021/ic0612505","","","0.71073","MoKα","","0.1038","0.0759","","","0.2037","0.2243","","","","","","1.094","","","","has coordinates,has disorder","239944","2020-10-21","18:00:00",""
"4350565","9.038","0.006","10.955","0.007","12.219","0.008","86.964","0.009","78.308","0.009","79.488","0.009","1164.7","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H17 Ag F6 N3 O5 P -","- C21 H17 Ag F6 N3 O5 P -","- C42 H34 Ag2 F12 N6 O10 P2 -","2","1","","Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi","Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.","Inorganic chemistry","2006","45","26","10613","10628","10.1021/ic0612552","","","0.71073","MoKα","","0.0648","0.0534","","","0.1264","0.134","","","","","","1.024","","","","has coordinates,has disorder","239945","2020-10-21","18:00:00",""
"4350566","8.6858","0.0019","10.745","0.002","12.457","0.003","87.174","0.003","77.727","0.003","78.697","0.003","1114","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Ag Cl N3 O9 -","- C21 H17 Ag Cl N3 O9 -","- C42 H34 Ag2 Cl2 N6 O18 -","2","1","","Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi","Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.","Inorganic chemistry","2006","45","26","10613","10628","10.1021/ic0612552","","","0.71073","MoKα","","0.0799","0.0663","","","0.154","0.1642","","","","","","1.06","","","","has coordinates,has disorder","239945","2020-10-21","18:00:00",""
"4350567","7.2359","0.0015","14.946","0.003","17.339","0.004","111.931","0.004","98.549","0.004","95.196","0.004","1698.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl4 Cu N6 O11 -","- C28 H20 Cl4 Cu N6 O11 -","- C56 H40 Cl8 Cu2 N12 O22 -","2","1","","Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi","Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.","Inorganic chemistry","2006","45","26","10613","10628","10.1021/ic0612552","","","0.71073","MoKα","","0.2107","0.0887","","","0.1532","0.1838","","","","","","0.978","","","","has coordinates","239945","2020-10-21","18:00:00",""
"4350568","9.0439","0.001","20.111","0.002","15.6438","0.0017","90","","91.563","0.002","90","","2844.3","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H36 Cl6 Cu N8 O18 -","- C54 H36 Cl6 Cu N8 O18 -","- C108 H72 Cl12 Cu2 N16 O36 -","2","1","","Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi","Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.","Inorganic chemistry","2006","45","26","10613","10628","10.1021/ic0612552","","","0.71073","MoKα","","0.1385","0.0807","","","0.1518","0.1737","","","","","","0.997","","","","has coordinates","239945","2020-10-21","18:00:00",""
"4350569","8.9924","0.0007","20.655","0.0014","26.1776","0.0019","90","","90","","90","","4862.2","0.6","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C26 H16 Cl2 Cu N4 O5 -","- C26 H16 Cl2 Cu N4 O5 -","- C208 H128 Cl16 Cu8 N32 O40 -","8","1","","Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi","Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.","Inorganic chemistry","2006","45","26","10613","10628","10.1021/ic0612552","","","0.71073","MoKα","","0.121","0.092","","","0.2272","0.2459","","","","","","1.084","","","","has coordinates","239945","2020-10-21","18:00:00",""
"4350570","44.24","0.03","19.128","0.014","25.97","0.03","90","","90","","90","","21976","3","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C88 H68 Cl4 Cu4 N12 O36 -","- C88 H68 Cl4 Cu4 N12 O36 -","- C704 H544 Cl32 Cu32 N96 O288 -","8","0.5","","Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi","Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.","Inorganic chemistry","2006","45","26","10613","10628","10.1021/ic0612552","","","0.71073","MoKα","","0.1334","0.0694","","","0.1679","0.1997","","","","","","0.893","","","","has coordinates","239945","2020-10-21","18:00:00",""
"4350571","9.02","0.003","10.351","0.004","30.054","0.01","90","","90","","90","","2806","1.7","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Ag Cl N4 O10 -","- C28 H22 Ag Cl N4 O10 -","- C112 H88 Ag4 Cl4 N16 O40 -","4","1","","Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi","Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.","Inorganic chemistry","2006","45","26","10613","10628","10.1021/ic0612552","","","0.71073","MoKα","","0.1898","0.0625","","","0.1079","0.1407","","","","","","0.909","","","","has coordinates,has disorder","239945","2020-10-21","18:00:00",""
"4350572","8.9908","0.0015","10.4041","0.0017","29.832","0.005","90","","90","","90","","2790.5","0.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Ag B F4 N4 O6 -","- C28 H22 Ag B F4 N4 O6 -","- C112 H88 Ag4 B4 F16 N16 O24 -","4","1","","Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi","Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.","Inorganic chemistry","2006","45","26","10613","10628","10.1021/ic0612552","","","0.71073","MoKα","","0.1569","0.0653","","","0.1433","0.1796","","","","","","0.919","","","","has coordinates","239945","2020-10-21","18:00:00",""
"4350573","8.995","0.007","10.41","0.009","30.97","0.03","90","","93.224","0.014","90","","2895","4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Ag F3 N4 O9 S -","- C28 H20 Ag F3 N4 O9 S -","- C112 H80 Ag4 F12 N16 O36 S4 -","4","1","","Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi","Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.","Inorganic chemistry","2006","45","26","10613","10628","10.1021/ic0612552","","","0.71073","MoKα","","0.1934","0.1086","","","0.2592","0.2789","","","","","","1.049","","","","has coordinates","239945","2020-10-21","18:00:00",""
"4350574","10.627","0.001","23.776","0.001","22.477","0.002","90","","90","","90","","5679.2","0.8","293","","293","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C26 H33 Cl Cu N2 O4.5 S2 -","- C25.5 H33 Cl Cu N2 O4.5 S2 -","- C204 H264 Cl8 Cu8 N16 O36 S16 -","8","1","","Rammal, Wassim; Belle, Catherine; Béguin, Claude; Duboc, Carole; Philouze, Christian; Pierre, Jean-Louis; Le Pape, Laurent; Bertaina, Sylvain; Saint-Aman, Eric; Torelli, Stéphane","Multifrequency EPR and redox reactivity investigations of a bis(mu-thiolato)-dicopper(II,II) complex.","Inorganic chemistry","2006","45","25","10355","10362","10.1021/ic0612606","","","0.71073","MoKα","","0.0651","0.0651","","0.0673","","0.0673","","","1.908","","","1.908","","","","has coordinates","239946","2020-10-21","18:00:00",""
"4350575","11.8343","0.0019","12.405","0.002","23.934","0.004","90","","98.568","0.003","90","","3474.4","1","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Mo2(DAniF)2]2Br4, 2CH2Cl2","","","- C62 H64 Br4 Cl4 Mo4 N8 O8 -","- C62 H64 Br4 Cl4 Mo4 N8 O8 -","- C124 H128 Br8 Cl8 Mo8 N16 O16 -","2","0.5","","Cotton, F. Albert; Liu, Chun Y.; Murillo, Carlos A.; Zhao, Qinliang","Strong electronic communication by direct metal-metal interaction in molecules with halide-bridged dimolybdenum pairs.","Inorganic chemistry","2006","45","23","9493","9501","10.1021/ic061304a","","","0.71073","MoKα","","0.0494","0.0424","","","0.1064","0.1111","","","","","","1.039","","","","has coordinates","239947","2020-10-21","18:00:00",""
"4350576","9.895","0.004","12.165","0.004","15.609","0.006","81.771","0.006","85.841","0.006","78.464","0.007","1820.1","1.2","213","2","213","2","","","","","","","","9","P -1","-P 1","2","{[Mo2(DAniF)2]2Br4}PF6,2CH2Cl2","","","- C62 H64 Br4 Cl4 F6 Mo4 N8 O8 P -","- C62 H64 Br4 Cl4 F6 Mo4 N8 O8 P -","- C62 H64 Br4 Cl4 F6 Mo4 N8 O8 P -","1","0.5","","Cotton, F. Albert; Liu, Chun Y.; Murillo, Carlos A.; Zhao, Qinliang","Strong electronic communication by direct metal-metal interaction in molecules with halide-bridged dimolybdenum pairs.","Inorganic chemistry","2006","45","23","9493","9501","10.1021/ic061304a","","","0.71073","MoKα","","0.0372","0.0325","","","0.0887","0.0929","","","","","","1.05","","","","has coordinates,has disorder","239947","2020-10-21","18:00:00",""
"4350577","9.247","0.002","13.224","0.003","15.417","0.003","89.677","0.004","79.545","0.004","81.104","0.004","1831.1","0.7","213","2","213","2","","","","","","","","9","P -1","-P 1","2","{[Mo2(DAniF)2]2I4}PF6,2CH2Cl2","","","- C62 H64 Cl4 F6 I4 Mo4 N8 O8 P -","- C62 H64 Cl4 F6 I4 Mo4 N8 O8 P -","- C62 H64 Cl4 F6 I4 Mo4 N8 O8 P -","1","0.5","","Cotton, F. Albert; Liu, Chun Y.; Murillo, Carlos A.; Zhao, Qinliang","Strong electronic communication by direct metal-metal interaction in molecules with halide-bridged dimolybdenum pairs.","Inorganic chemistry","2006","45","23","9493","9501","10.1021/ic061304a","","","0.71073","MoKα","","0.0944","0.0487","","","0.1081","0.133","","","","","","1.018","","","","has coordinates,has disorder","239947","2020-10-21","18:00:00",""
"4350578","15.7696","0.001","10.0146","0.0007","15.6912","0.001","90","","112.451","0.002","90","","2290.2","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(bpb)Fe(NO2)(py)].0.5py","","","- C25.5 H19.5 Fe N6.5 O4 -","- C25.5 H19.5 Fe N6.5 O4 -","- C102 H78 Fe4 N26 O16 -","4","1","","Afshar, Raman K.; Eroy-Reveles, Aura A; Olmstead, Marilyn M.; Mascharak, Pradip K.","Stoichiometric and catalytic secondary O-atom transfer by Fe(III)-NO2 complexes derived from a planar tetradentate non-heme ligand: reminiscence of heme chemistry.","Inorganic chemistry","2006","45","25","10347","10354","10.1021/ic0614115","","","0.71073","MoKα","","0.1215","0.0699","","","0.1661","0.2025","","","","","","1.05","","","","has coordinates","239948","2020-10-21","18:00:00",""
"4350579","8.797","0.0002","10.7269","0.0002","15.0291","0.0003","90","","106.636","0.002","90","","1358.85","0.05","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","[NEt4][Fe(bpb)Br2]","","","- C26 H32 Br2 Fe N5 O2 -","- C26 H32 Br2 Fe N5 O2 -","- C52 H64 Br4 Fe2 N10 O4 -","2","1","","Afshar, Raman K.; Eroy-Reveles, Aura A; Olmstead, Marilyn M.; Mascharak, Pradip K.","Stoichiometric and catalytic secondary O-atom transfer by Fe(III)-NO2 complexes derived from a planar tetradentate non-heme ligand: reminiscence of heme chemistry.","Inorganic chemistry","2006","45","25","10347","10354","10.1021/ic0614115","","","0.71073","MoKα","","0.0139","0.0136","","","0.0359","0.036","","","","","","0.849","","","","has coordinates","239949","2020-10-21","18:00:00",""
"4350580","9.7683","0.0004","9.7683","0.0004","25.864","0.002","90","","90","","120","","2137.3","0.2","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C12 H18 Cl Cu0.67 N3.67 O4 -","- C12 H18 Cl Cu0.666667 N3.66667 O4 -","- C72 H108 Cl6 Cu4 N22 O24 -","6","0.5","","Ravikumar, I.; Suresh, E.; Ghosh, Pradyut","A perfect linear Cu-NNN-Cu unit inside the cryptand cavity and perchlorate entrapment within the channel formed by the cascade complex.","Inorganic chemistry","2006","45","25","10046","10048","10.1021/ic061450g","","","0.71073","MoKα","","0.0697","0.0654","","","0.1508","0.1529","","","","","","1.137","","","","has coordinates","239950","2020-10-21","18:00:00",""
"4350581","15.686","0.002","15.41","0.004","17.509","0.003","90","","103.437","0.009","90","","4116.4","1.4","160.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43 H50 Cu F3 N4 O3 S -","- C43 H50 Cu F3 N4 O3 S -","- C172 H200 Cu4 F12 N16 O12 S4 -","4","1","","Ohi, Hiromi; Tachi, Yoshimitsu; Itoh, Shinobu","Modeling the mononuclear, dinuclear, and trinuclear copper(I) reaction centers of copper proteins using pyridylalkylamine ligands connected to 1,3,5-triethylbenzene spacer.","Inorganic chemistry","2006","45","26","10825","10835","10.1021/ic061509j","","","0.71075","MoKα","","","0.0399","","","","0.0415","","","","","","1.013","","","","has coordinates","239951","2020-10-21","18:00:00",""
"4350582","21.6998","0.0016","12.9667","0.001","39.095","0.003","90","","90.454","0.004","90","","11000","1.4","153.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H66 Cu F3 N6 O3 S -","- C58 H66 Cu F3 N6 O3 S -","- C464 H528 Cu8 F24 N48 O24 S8 -","8","1","","Ohi, Hiromi; Tachi, Yoshimitsu; Itoh, Shinobu","Modeling the mononuclear, dinuclear, and trinuclear copper(I) reaction centers of copper proteins using pyridylalkylamine ligands connected to 1,3,5-triethylbenzene spacer.","Inorganic chemistry","2006","45","26","10825","10835","10.1021/ic061509j","","","0.7107","MoKα","","","0.0764","","","","0.157","","","","","","0.992","","","","has coordinates","239951","2020-10-21","18:00:00",""
"4350583","9.4612","0.001","10.8782","0.001","22.414","0.002","89.649","0.004","78.527","0.004","67.578","0.004","2083.7","0.4","161.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 Cl3 Cu3 N4 -","- C42 H50 Cl3 Cu3 N4 -","- C84 H100 Cl6 Cu6 N8 -","2","1","","Ohi, Hiromi; Tachi, Yoshimitsu; Itoh, Shinobu","Modeling the mononuclear, dinuclear, and trinuclear copper(I) reaction centers of copper proteins using pyridylalkylamine ligands connected to 1,3,5-triethylbenzene spacer.","Inorganic chemistry","2006","45","26","10825","10835","10.1021/ic061509j","","","0.71075","MoKα","","","0.0366","","","","0.04","","","","","","1.02","","","","has coordinates","239951","2020-10-21","18:00:00",""
"4350584","24.496","0.001","24.496","0.001","10.4042","0.0005","90","","90","","120","","5406.7","0.4","161.1","","","","","","","","","","","7","P 3","P 3","143","","","","- C66 H75 Cu3 F9 N9 O9 S3 -","- C66 H75 Cu3 F9 N9 O9 S3 -","- C198 H225 Cu9 F27 N27 O27 S9 -","3","1","","Ohi, Hiromi; Tachi, Yoshimitsu; Itoh, Shinobu","Modeling the mononuclear, dinuclear, and trinuclear copper(I) reaction centers of copper proteins using pyridylalkylamine ligands connected to 1,3,5-triethylbenzene spacer.","Inorganic chemistry","2006","45","26","10825","10835","10.1021/ic061509j","","","0.71075","MoKα","","","0.0435","","","","0.0479","","","","","","0.978","","","","has coordinates","239951","2020-10-21","18:00:00",""
"4350585","11.318","0.004","11.66","0.004","12.129","0.004","86.849","0.013","78.394","0.015","87.442","0.014","1564.6","0.9","161.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H78 Cu2 F12 N4 O4 P2 -","- C60 H68 Cu2 F12 N4 O4 P2 -","- C60 H68 Cu2 F12 N4 O4 P2 -","1","0.5","","Ohi, Hiromi; Tachi, Yoshimitsu; Itoh, Shinobu","Modeling the mononuclear, dinuclear, and trinuclear copper(I) reaction centers of copper proteins using pyridylalkylamine ligands connected to 1,3,5-triethylbenzene spacer.","Inorganic chemistry","2006","45","26","10825","10835","10.1021/ic061509j","","","0.71075","MoKα","","","0.0479","","","","0.0607","","","","","","1.023","","","","has coordinates","239951","2020-10-21","18:00:00",""
"4350586","14.146","0.002","14.286","0.002","26.043","0.004","76.605","0.003","76.147","0.003","70.266","0.003","4743.9","1.2","213","2","213","2","","","","","","","","7","P -1","-P 1","2","[MO2(DAniF)2]3F6.2CH2Cl2","","","- C92 H94 Cl4 F6 Mo6 N12 O12 -","- C92 H94 Cl4 F6 Mo6 N12 O12 -","- C184 H188 Cl8 F12 Mo12 N24 O24 -","2","1","","Cotton, F. Albert; Liu, Chun Y.; Murillo, Carlos A.; Zhao, Qinliang","An isomeric pair of fluoride-bridged cyclic dimolybdenum triads.","Inorganic chemistry","2006","45","23","9480","9486","10.1021/ic061525g","","","0.71073","MoKα","","0.0525","0.0374","","","0.0903","0.1018","","","","","","1.059","","","","has coordinates,has disorder","239952","2020-10-21","18:00:00",""
"4350587","19.923","0.003","28.67","0.004","20.496","0.003","90","","98.59","0.003","90","","11576","3","213","2","213","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Mo2(DAniF)2]3F6(ph4B),2CH2Cl2","","","- C116 H114 B Cl4 F6 Mo6 N12 O12 -","- C116 H114 B Cl4 F6 Mo6 N12 O12 -","- C464 H456 B4 Cl16 F24 Mo24 N48 O48 -","4","1","","Cotton, F. Albert; Liu, Chun Y.; Murillo, Carlos A.; Zhao, Qinliang","An isomeric pair of fluoride-bridged cyclic dimolybdenum triads.","Inorganic chemistry","2006","45","23","9480","9486","10.1021/ic061525g","","","0.71073","MoKα","","0.0761","0.044","","","0.0879","0.1057","","","","","","1.074","","","","has coordinates,has disorder","239952","2020-10-21","18:00:00",""
"4350588","24.152","0.01","16.36","0.006","26.445","0.011","90","","90.387","0.007","90","","10449","7","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Mo2(DAniF)2]3F6,2CH2Cl2,C6H14","","","- C98 H108 Cl4 F6 Mo6 N12 O12 -","- C98 H108 Cl4 F6 Mo6 N12 O12 -","- C392 H432 Cl16 F24 Mo24 N48 O48 -","4","1","","Cotton, F. Albert; Liu, Chun Y.; Murillo, Carlos A.; Zhao, Qinliang","An isomeric pair of fluoride-bridged cyclic dimolybdenum triads.","Inorganic chemistry","2006","45","23","9480","9486","10.1021/ic061525g","","","0.71073","MoKα","","0.1194","0.0807","","","0.1786","0.2074","","","","","","1.091","","","","has coordinates,has disorder","239952","2020-10-21","18:00:00",""
"4350589","16.4154","0.0017","5.2133","0.0006","16.421","0.0017","90","","114.165","0.002","90","","1282.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H5 O3 S4 Zn -","- C5.33333 O6.66667 S1.33333 Zn1.33333 -","- C32 O40 S8 Zn8 -","6","3","","Wu, Ming-Cheng; Lee, Chi-Shen","Synthesis and thermal decomposition of Zn(tda)H2O [tda = S(CH(2)COO)2(2-)].","Inorganic chemistry","2006","45","24","9634","9636","10.1021/ic061531c","","","0.71073","MoKα","","0.0474","0.0322","","","0.0862","0.1039","","","","","","0.911","","","","has coordinates","239953","2020-10-21","18:00:00",""
"4350590","8.8771","0.0018","10.205","0.002","13.078","0.003","68.38","0.03","79.18","0.03","88.16","0.03","1080.9","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H28 F6 N P2 Sb Se2 -","- C12 H28 F6 N P2 Sb Se2 -","- C24 H56 F12 N2 P4 Sb2 Se4 -","2","1","","Konu, Jari; Chivers, Tristram; Tuononen, Heikki M.","Synthesis, spectroscopic, and structural investigation of the cyclic [N(PR2E)2]+ cations (E = Se, Te; R = iPr, Ph): the effect of anion and R-group exchange.","Inorganic chemistry","2006","45","26","10678","10687","10.1021/ic061545i","","","0.71073","MoKα","","0.025","0.021","","","0.0461","0.0475","","","","","","1.045","","","","has coordinates","239954","2020-10-21","18:00:00",""
"4350591","9.996","0.002","8.9599","0.0018","25.778","0.005","90","","90.24","0.03","90","","2308.7","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 F6 N P2 Sb Te2 -","- C12 H28 F6 N P2 Sb Te2 -","- C48 H112 F24 N4 P8 Sb4 Te8 -","4","1","","Konu, Jari; Chivers, Tristram; Tuononen, Heikki M.","Synthesis, spectroscopic, and structural investigation of the cyclic [N(PR2E)2]+ cations (E = Se, Te; R = iPr, Ph): the effect of anion and R-group exchange.","Inorganic chemistry","2006","45","26","10678","10687","10.1021/ic061545i","","","0.71073","MoKα","","0.0595","0.0345","","","0.0644","0.0725","","","","","","1.021","","","","has coordinates","239954","2020-10-21","18:00:00",""
"4350592","7.3975","0.0015","17.778","0.004","14.918","0.003","90","","103.27","0.03","90","","1909.5","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl N P2 Te2 -","- C12 H28 Cl N P2 Te2 -","- C48 H112 Cl4 N4 P8 Te8 -","4","1","","Konu, Jari; Chivers, Tristram; Tuononen, Heikki M.","Synthesis, spectroscopic, and structural investigation of the cyclic [N(PR2E)2]+ cations (E = Se, Te; R = iPr, Ph): the effect of anion and R-group exchange.","Inorganic chemistry","2006","45","26","10678","10687","10.1021/ic061545i","","","0.71073","MoKα","","0.046","0.0321","","","0.0644","0.0703","","","","","","1.085","","","","has coordinates","239954","2020-10-21","18:00:00",""
"4350593","10.592","0.002","11.125","0.002","12.264","0.003","95.51","0.03","100.35","0.03","117.98","0.03","1228.1","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 I N P2 Te2 -","- C24 H20 I N P2 Te2 -","- C48 H40 I2 N2 P4 Te4 -","2","1","","Konu, Jari; Chivers, Tristram; Tuononen, Heikki M.","Synthesis, spectroscopic, and structural investigation of the cyclic [N(PR2E)2]+ cations (E = Se, Te; R = iPr, Ph): the effect of anion and R-group exchange.","Inorganic chemistry","2006","45","26","10678","10687","10.1021/ic061545i","","","0.71073","MoKα","","0.0378","0.0265","","","0.0548","0.0583","","","","","","1.041","","","","has coordinates","239954","2020-10-21","18:00:00",""
"4350594","9.4244","0.0019","20.694","0.004","13.016","0.003","90","","95.07","0.03","90","","2528.6","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 I N P2 Se3 -","- C24 H20 I N P2 Se3 -","- C96 H80 I4 N4 P8 Se12 -","4","1","","Konu, Jari; Chivers, Tristram; Tuononen, Heikki M.","Synthesis, spectroscopic, and structural investigation of the cyclic [N(PR2E)2]+ cations (E = Se, Te; R = iPr, Ph): the effect of anion and R-group exchange.","Inorganic chemistry","2006","45","26","10678","10687","10.1021/ic061545i","","","0.71073","MoKα","","0.0715","0.0465","","","0.1001","0.1105","","","","","","1.106","","","","has coordinates","239954","2020-10-21","18:00:00",""
"4350595","10.765","0.002","20.093","0.004","21.546","0.004","90","","92.34","0.03","90","","4656.5","1.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H42 Cl2 N2 O P4 Se2 -","- C49 H42 Cl2 N2 O P4 Se2 -","- C196 H168 Cl8 N8 O4 P16 Se8 -","4","0.5","","Konu, Jari; Chivers, Tristram; Tuononen, Heikki M.","Synthesis, spectroscopic, and structural investigation of the cyclic [N(PR2E)2]+ cations (E = Se, Te; R = iPr, Ph): the effect of anion and R-group exchange.","Inorganic chemistry","2006","45","26","10678","10687","10.1021/ic061545i","","","0.71073","MoKα","","0.054","0.0376","","","0.0786","0.085","","","","","","1.023","","","","has coordinates","239954","2020-10-21","18:00:00",""
"4350596","7.0377","0.0014","13.483","0.003","18.421","0.004","90","","90","","90","","1748","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl N P2 Se -","- C12 H28 Cl N P2 Se -","- C48 H112 Cl4 N4 P8 Se4 -","4","1","","Konu, Jari; Chivers, Tristram; Tuononen, Heikki M.","Synthesis, spectroscopic, and structural investigation of the cyclic [N(PR2E)2]+ cations (E = Se, Te; R = iPr, Ph): the effect of anion and R-group exchange.","Inorganic chemistry","2006","45","26","10678","10687","10.1021/ic061545i","","","0.71073","MoKα","","0.0521","0.04","","","0.0851","0.0905","","","","","","1.034","","","","has coordinates","239954","2020-10-21","18:00:00",""
"4350597","12.083","0.004","13.678","0.004","14.004","0.005","105.314","0.002","112.061","0.002","104.9","0.002","1897.4","1.1","293","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H39 I9 N7 O6 Pb2 -","- C9 H35 I9 N7 O6 Pb2 -","- C18 H70 I18 N14 O12 Pb4 -","2","1","","Zhang, Zhang-Jing; Guo, Guo-Cong; Xu, Gang; Fu, Ming-Lai; Zou, Jian-Ping; Huang, Jin-Shun","[(H2en)7(C2O4)2]n(Pb4I18)n.4nH2O, a new type of perovskite co-templated by both organic cations and anions.","Inorganic chemistry","2006","45","25","10028","10030","10.1021/ic061555j","","","0.71073","MoKα","","0.0477","0.0368","","","0.0874","0.0939","","","","","","1.043","","","","has coordinates","239955","2020-10-21","18:00:00",""
"4350598","11.3223","0.0008","11.4145","0.0008","12.7162","0.0009","66.702","0.001","83.21","0.001","86.507","0.001","1498.65","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","05056","","","- C62 H82 Cl2 Fe2 N4 O4 -","- C62 H82 Cl2 Fe2 N4 O4 -","- C62 H82 Cl2 Fe2 N4 O4 -","1","0.5","","Friese, Seth J.; Kucera, Benjamin E.; Que, Jr, Lawrence; Tolman, William B.","Self-assembly of the 2-His-1-carboxylate facial triad in mononuclear iron(II) and zinc(II) models of metalloenzyme active sites.","Inorganic chemistry","2006","45","20","8003","8005","10.1021/ic061564s","","","0.71073","MoKα","","0.0497","0.0386","","","0.089","0.0939","","","","","","1.038","","","","has coordinates","239957","2020-10-21","18:00:00",""
"4350599","14.905","0.003","7.1436","0.0015","15.896","0.003","90","","92.735","0.004","90","","1690.6","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","06064","","","- C12 H28 Cl2 Fe N2 -","- C12 H28 Cl2 Fe N2 -","- C48 H112 Cl8 Fe4 N8 -","4","0.5","","Friese, Seth J.; Kucera, Benjamin E.; Que, Jr, Lawrence; Tolman, William B.","Self-assembly of the 2-His-1-carboxylate facial triad in mononuclear iron(II) and zinc(II) models of metalloenzyme active sites.","Inorganic chemistry","2006","45","20","8003","8005","10.1021/ic061564s","","","0.71073","MoKα","","0.0498","0.0377","","","0.0925","0.1004","","","","","","1.032","","","","has coordinates","239957","2020-10-21","18:00:00",""
"4350600","26.0031","0.0017","11.2845","0.0006","14.8658","0.0008","90","","104.977","0.001","90","","4213.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","06076","","","- C43 H65 Cl Fe N2 O2 -","- C43 H65 Cl Fe N2 O2 -","- C172 H260 Cl4 Fe4 N8 O8 -","4","1","","Friese, Seth J.; Kucera, Benjamin E.; Que, Jr, Lawrence; Tolman, William B.","Self-assembly of the 2-His-1-carboxylate facial triad in mononuclear iron(II) and zinc(II) models of metalloenzyme active sites.","Inorganic chemistry","2006","45","20","8003","8005","10.1021/ic061564s","","","0.71073","MoKα","","0.094","0.068","","","0.135","0.145","","","","","","1.046","","","","has coordinates,has disorder","239957","2020-10-21","18:00:00",""
"4350601","15.0099","0.0012","15.2321","0.0012","24.093","0.0019","90","","105.034","0.001","90","","5319.9","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","06119","","","- C57 H68 Cl2 N2 O4 Zn -","- C57 H68 Cl2 N2 O4 Zn -","- C228 H272 Cl8 N8 O16 Zn4 -","4","1","","Friese, Seth J.; Kucera, Benjamin E.; Que, Jr, Lawrence; Tolman, William B.","Self-assembly of the 2-His-1-carboxylate facial triad in mononuclear iron(II) and zinc(II) models of metalloenzyme active sites.","Inorganic chemistry","2006","45","20","8003","8005","10.1021/ic061564s","","","0.71073","MoKα","","0.0501","0.0376","","","0.0899","0.0956","","","","","","1.005","","","","has coordinates","239957","2020-10-21","18:00:00",""
"4350602","19.1199","0.0019","11.9913","0.0012","18.1227","0.0018","90","","108.518","0.001","90","","3939.9","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","06131","","","- C41 H61 Cl N2 O3 Zn -","- C41 H61 Cl N2 O3 Zn -","- C164 H244 Cl4 N8 O12 Zn4 -","4","1","","Friese, Seth J.; Kucera, Benjamin E.; Que, Jr, Lawrence; Tolman, William B.","Self-assembly of the 2-His-1-carboxylate facial triad in mononuclear iron(II) and zinc(II) models of metalloenzyme active sites.","Inorganic chemistry","2006","45","20","8003","8005","10.1021/ic061564s","","","0.71073","MoKα","","0.0943","0.0641","","","0.1315","0.1485","","","","","","1.055","","","","has coordinates,has disorder","239957","2020-10-21","18:00:00",""
"4350603","23.338","0.003","23.338","0.003","15.406","0.004","90","","90","","120","","7267","2","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Ga(C~18~H~17~N~2~)~3~^.^CDCl~3~","","","- C55 H52 Cl3 Ga N6 -","- C55 H52 Cl3 Ga N6 -","- C330 H312 Cl18 Ga6 N36 -","6","0.5","","Thoi, Van S.; Stork, Jay R.; Magde, Douglas; Cohen, Seth M.","Luminescent dipyrrinato complexes of trivalent group 13 metal ions.","Inorganic chemistry","2006","45","26","10688","10697","10.1021/ic061581h","","","0.71073","MoKα","","0.0532","0.0448","","","0.1089","0.1152","","","","","","1.046","","","","has coordinates,has disorder","239958","2020-10-21","18:00:00",""
"4350604","23.7036","0.0012","23.7036","0.0012","14.7117","0.0015","90","","90","","120","","7158.5","0.9","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","In(5-Mesdpm)~3~","","","- C55 H52.5 In N6.5 -","- C55 H52.5 In N6.5 -","- C330 H315 In6 N39 -","6","0.5","","Thoi, Van S.; Stork, Jay R.; Magde, Douglas; Cohen, Seth M.","Luminescent dipyrrinato complexes of trivalent group 13 metal ions.","Inorganic chemistry","2006","45","26","10688","10697","10.1021/ic061581h","","","0.71073","MoKα","","0.0798","0.0411","","","0.0933","0.1099","","","","","","1.033","","","","has coordinates,has disorder","239958","2020-10-21","18:00:00",""
"4350605","14.696","0.004","16.567","0.004","20.069","0.005","95.906","0.004","110.802","0.004","106.542","0.004","4263.6","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Ga(cydpm)~3~]^.^CHCl~3~","","","- C48.83 H30.83 Cl2.49 Ga N9 O0.25 -","- C48.83 H30.83 Cl2.49 Ga N9 O0.255 -","- C195.32 H123.32 Cl9.96 Ga4 N36 O1.02 -","4","2","","Thoi, Van S.; Stork, Jay R.; Magde, Douglas; Cohen, Seth M.","Luminescent dipyrrinato complexes of trivalent group 13 metal ions.","Inorganic chemistry","2006","45","26","10688","10697","10.1021/ic061581h","","","0.71073","MoKα","","0.0622","0.0462","","","0.1093","0.1188","","","","","","1.022","","","","has coordinates,has disorder","239958","2020-10-21","18:00:00",""
"4350606","11.0843","0.0002","12.0184","0.0004","28.4403","0.001","90","","90","","90","","3788.7","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 Cl5 O10 P S -","- C31 H36 Cl5 O10 P S -","- C124 H144 Cl20 O40 P4 S4 -","4","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.0814","0.0687","","","0.1981","0.2089","","","","","","1.093","","","","has coordinates","239959","2020-10-21","18:00:00",""
"4350607","13.7011","0.0018","9.3468","0.001","15.544","0.002","90","","112.281","0.004","90","","1842","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H41 O8 P S -","- C31 H41 O8 P S -","- C62 H82 O16 P2 S2 -","2","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.1728","0.1443","","","0.2897","0.3077","","","","","","1.165","","","","has coordinates","239960","2020-10-21","18:00:00",""
"4350608","9.9547","0.0002","17.7766","0.0005","21.086","0.0006","90","","90","","90","","3731.39","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H44 F3 O9 P S -","- C33 H44 F3 O9 P S -","- C132 H176 F12 O36 P4 S4 -","4","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.058","0.0459","","","0.0977","0.1039","","","","","","1.072","","","","has coordinates","239961","2020-10-21","18:00:00",""
"4350609","10.8623","0.0002","25.046","0.0004","13.9799","0.0003","90","","109.215","0.0007","90","","3591.46","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H46 F3 O9 P -","- C34 H45 F3 O9 P -","- C136 H180 F12 O36 P4 -","4","2","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.0649","0.0527","","","0.1282","0.1375","","","","","","1.03","","","","has coordinates","239962","2020-10-21","18:00:00",""
"4350610","9.5531","0.0001","26.3363","0.0004","14.8612","0.0002","90","","105.001","0.0007","90","","3611.56","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H44 F3 O11 P S -","- C33 H43 F3 O11 P S -","- C132 H172 F12 O44 P4 S4 -","4","2","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.0529","0.0472","","","0.1255","0.1313","","","","","","1.035","","","","has coordinates","239963","2020-10-21","18:00:00",""
"4350611","11.0705","0.0001","12.6674","0.0001","18.8035","0.0003","90","","101.415","0.0006","90","","2584.74","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57 H61 O10 P S -","- C57 H61 O10 P S -","- C114 H122 O20 P2 S2 -","2","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.0429","0.0406","","","0.1063","0.1085","","","","","","1.021","","","","has coordinates","239964","2020-10-21","18:00:00",""
"4350612","17.1545","0.0002","11.1392","0.0001","19.8162","0.0002","90","","91.4254","0.0004","90","","3785.45","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H53 O8 P S -","- C37 H44 O8 P S -","- C148 H176 O32 P4 S4 -","4","2","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.0691","0.0525","","","0.1319","0.1414","","","","","","1.021","","","","has coordinates","239965","2020-10-21","18:00:00",""
"4350613","9.8098","0.0001","14.9672","0.0002","22.2989","0.0004","90","","90","","90","","3274.04","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H41 O10 P S -","- C31 H32 O10 P S -","- C124 H128 O40 P4 S4 -","4","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.0807","0.0562","","","0.1185","0.1283","","","","","","1.042","","","","has coordinates","239966","2020-10-21","18:00:00",""
"4350614","10.5287","0.0002","11.8268","0.0002","34.0252","0.0007","90","","90","","90","","4236.85","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H58 F3 O9 P -","- C40 H49 F3 O9 P -","- C160 H196 F12 O36 P4 -","4","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.0631","0.0533","","","0.1369","0.1445","","","","","","1.048","","","","has coordinates","239967","2020-10-21","18:00:00",""
"4350615","42.215","0.008","10.309","0.002","14.107","0.003","90","","105.77","0.03","90","","5908","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H43 F18 N4 P3 -","- C52 H43 F18 N4 P3 -","- C208 H172 F72 N16 P12 -","4","0.5","","Coe, Benjamin J.; Harries, Josephine L.; Harris, James A.; Brunschwig, Bruce S.; Horton, Peter N.; Hursthouse, Michael B.","Extended dipolar nonlinear optical chromophores based on trans-bis[1,2-phenylenebis(dimethylarsine)]chlororuthenium(II) centers.","Inorganic chemistry","2006","45","26","11019","11029","10.1021/ic061659u","","","0.71073","MoKα","","0.2121","0.1162","","","0.2875","0.3356","","","","","","1.022","","","","has coordinates,has disorder","239968","2020-10-21","18:00:00",""
"4350616","9.5973","0.0012","42.589","0.005","15.082","0.002","90","","105.201","0.01","90","","5948.9","1.3","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H51 As4 Cl F12 N2 P2 Ru -","- C41 H51 As4 Cl F12 N2 P2 Ru -","- C164 H204 As16 Cl4 F48 N8 P8 Ru4 -","4","1","","Coe, Benjamin J.; Harries, Josephine L.; Harris, James A.; Brunschwig, Bruce S.; Horton, Peter N.; Hursthouse, Michael B.","Extended dipolar nonlinear optical chromophores based on trans-bis[1,2-phenylenebis(dimethylarsine)]chlororuthenium(II) centers.","Inorganic chemistry","2006","45","26","11019","11029","10.1021/ic061659u","","","0.71073","MoKα","","0.1445","0.0934","","","0.2757","0.3231","","","","","","1.176","","","","has coordinates,has disorder","239968","2020-10-21","18:00:00",""
"4350617","9.345","0.002","53.743","0.009","25.264","0.004","90","","98.056","0.016","90","","12563","4","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H53 As4 Cl F12 N2 P2 Ru -","- C46 H53 As4 Cl F12 N2 P2 Ru -","- C368 H424 As32 Cl8 F96 N16 P16 Ru8 -","8","2","","Coe, Benjamin J.; Harries, Josephine L.; Harris, James A.; Brunschwig, Bruce S.; Horton, Peter N.; Hursthouse, Michael B.","Extended dipolar nonlinear optical chromophores based on trans-bis[1,2-phenylenebis(dimethylarsine)]chlororuthenium(II) centers.","Inorganic chemistry","2006","45","26","11019","11029","10.1021/ic061659u","","","0.71073","MoKα","","0.2371","0.1044","","","0.2636","0.3131","","","","","","1.048","","","","has coordinates,has disorder","239968","2020-10-21","18:00:00",""
"4350618","5.9646","0.0012","14.331","0.003","51.651","0.01","90","","91.77","0.03","90","","4413","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cl2 N2 Sb2 -","- C8 H18 Cl2 N2 Sb2 -","- C96 H216 Cl24 N24 Sb24 -","12","3","","Eisler, Dana J.; Chivers, Tristram","Bis(1 degree-amino)cyclodistib(III)azanes: the first structural characterization of cis and trans isomers of a single cyclodipnict(III)azane.","Inorganic chemistry","2006","45","26","10734","10742","10.1021/ic061660t","","","0.71073","MoKα","","0.0348","0.0268","","","0.0473","0.0499","","","","","","1.071","","","","has coordinates","239969","2020-10-21","18:00:00",""
"4350619","9.955","0.002","11.433","0.002","31.723","0.006","90","","95.71","0.03","90","","3592.7","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 N4 Sb2 -","- C32 H54 N4 Sb2 -","- C128 H216 N16 Sb8 -","4","1","","Eisler, Dana J.; Chivers, Tristram","Bis(1 degree-amino)cyclodistib(III)azanes: the first structural characterization of cis and trans isomers of a single cyclodipnict(III)azane.","Inorganic chemistry","2006","45","26","10734","10742","10.1021/ic061660t","","","0.71073","MoKα","","0.0581","0.0338","","","0.0661","0.0742","","","","","","1.041","","","","has coordinates,has disorder","239969","2020-10-21","18:00:00",""
"4350620","12.111","0.002","9.3393","0.0019","15.749","0.003","90","","103.1","0.03","90","","1735","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H54 N4 Sb2 -","- C32 H54 N4 Sb2 -","- C64 H108 N8 Sb4 -","2","0.5","","Eisler, Dana J.; Chivers, Tristram","Bis(1 degree-amino)cyclodistib(III)azanes: the first structural characterization of cis and trans isomers of a single cyclodipnict(III)azane.","Inorganic chemistry","2006","45","26","10734","10742","10.1021/ic061660t","","","0.71073","MoKα","","0.0497","0.0354","","","0.0838","0.0932","","","","","","1.152","","","","has coordinates","239969","2020-10-21","18:00:00",""
"4350621","11.254","0.002","12.092","0.002","19.741","0.004","90","","90","","90","","2686.4","0.8","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H38 N4 Sb2 -","- C24 H38 N4 Sb2 -","- C96 H152 N16 Sb8 -","4","0.5","","Eisler, Dana J.; Chivers, Tristram","Bis(1 degree-amino)cyclodistib(III)azanes: the first structural characterization of cis and trans isomers of a single cyclodipnict(III)azane.","Inorganic chemistry","2006","45","26","10734","10742","10.1021/ic061660t","","","0.71073","MoKα","","0.1031","0.0535","","","0.1328","0.1612","","","","","","1.018","","","","has coordinates","239969","2020-10-21","18:00:00",""
"4350622","17.305","0.004","16.439","0.003","11.772","0.002","90","","90","","90","","3348.9","1.1","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H52 N4 Na2 O2 Sb2 -","- C24 H53 N4 Na2 O2 Sb2 -","- C96 H212 N16 Na8 O8 Sb8 -","4","0.5","","Eisler, Dana J.; Chivers, Tristram","Bis(1 degree-amino)cyclodistib(III)azanes: the first structural characterization of cis and trans isomers of a single cyclodipnict(III)azane.","Inorganic chemistry","2006","45","26","10734","10742","10.1021/ic061660t","","","0.71073","MoKα","","0.0557","0.0391","","","0.0928","0.102","","","","","","1.036","","","","has coordinates,has disorder","239969","2020-10-21","18:00:00",""
"4350623","18.353","0.004","10.586","0.002","21.552","0.004","90","","112.16","0.03","90","","3877.9","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 Li2 N4 O Sb2 -","- C36 H60 Li2 N4 O Sb2 -","- C144 H240 Li8 N16 O4 Sb8 -","4","1","","Eisler, Dana J.; Chivers, Tristram","Bis(1 degree-amino)cyclodistib(III)azanes: the first structural characterization of cis and trans isomers of a single cyclodipnict(III)azane.","Inorganic chemistry","2006","45","26","10734","10742","10.1021/ic061660t","","","0.71073","MoKα","","0.0847","0.0429","","","0.0762","0.088","","","","","","1.027","","","","has coordinates,has disorder","239969","2020-10-21","18:00:00",""
"4350624","10.705","0.002","20.816","0.004","20.97","0.004","107.63","0.03","92.5","0.03","91.08","0.03","4446.6","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H69 Li2 N4 O2 Sb -","- C40 H69 Li2 N4 O2 Sb -","- C160 H276 Li8 N16 O8 Sb4 -","4","2","","Eisler, Dana J.; Chivers, Tristram","Bis(1 degree-amino)cyclodistib(III)azanes: the first structural characterization of cis and trans isomers of a single cyclodipnict(III)azane.","Inorganic chemistry","2006","45","26","10734","10742","10.1021/ic061660t","","","0.71073","MoKα","","0.1038","0.0525","","","0.1145","0.1376","","","","","","1.014","","","","has coordinates,has disorder","239969","2020-10-21","18:00:00",""
"4350625","9.7041","0.0006","10.674","0.0008","16.7854","0.0015","82.724","0.004","75.166","0.003","63.095","0.003","1498.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H50 Co2 N2 O8 S8 -","- C60 H50 Co2 N2 O8 S8 -","- C60 H50 Co2 N2 O8 S8 -","1","0.5","","Benbellat, Noura; Gavrilenko, Konstantin S.; Le Gal, Yann; Cador, Olivier; Golhen, Stéphane; Gouasmia, Abdelkrim; Fabre, Jean-Marc; Ouahab, Lahcène","Co(II)-Co(II) paddlewheel complex with a redox-active ligand derived from TTF.","Inorganic chemistry","2006","45","26","10440","10442","10.1021/ic061680v","","","0.71073","MoKα","","0.1693","0.0628","","","0.1578","0.2091","","","","","","0.996","","","","has coordinates","239970","2020-10-21","18:00:00",""
"4350626","9.667","0.003","10.577","0.003","16.558","0.004","82.997","0.014","75.74","0.014","62.635","0.012","1457.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H50 Co2 N2 O8 S8 -","- C60 H50 Co2 N2 O8 S8 -","- C60 H50 Co2 N2 O8 S8 -","1","0.5","","Benbellat, Noura; Gavrilenko, Konstantin S.; Le Gal, Yann; Cador, Olivier; Golhen, Stéphane; Gouasmia, Abdelkrim; Fabre, Jean-Marc; Ouahab, Lahcène","Co(II)-Co(II) paddlewheel complex with a redox-active ligand derived from TTF.","Inorganic chemistry","2006","45","26","10440","10442","10.1021/ic061680v","","","0.71073","MoKα","","0.1198","0.059","","","0.1567","0.1937","","","","","","1.041","","","","has coordinates","239970","2020-10-21","18:00:00",""
"4350627","13.9701","0.0004","5.9781","0.0002","20.6898","0.0006","90","","99.708","0.002","90","","1703.16","0.09","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H16 N O0.5 S4 -","- C16 H15 N O0.5 S4 -","- C64 H60 N4 O2 S16 -","4","1","","Benbellat, Noura; Gavrilenko, Konstantin S.; Le Gal, Yann; Cador, Olivier; Golhen, Stéphane; Gouasmia, Abdelkrim; Fabre, Jean-Marc; Ouahab, Lahcène","Co(II)-Co(II) paddlewheel complex with a redox-active ligand derived from TTF.","Inorganic chemistry","2006","45","26","10440","10442","10.1021/ic061680v","","","0.71073","MoKα","","0.0504","0.0374","","","0.1122","0.1284","","","","","","1.045","","","","has coordinates","239970","2020-10-21","18:00:00",""
"4350628","15.6723","0.0008","15.6723","","4.6889","0.0007","90","","90","","120","","997.39","0.16","293","2","","","","","","","","","","5","P 31 2 1","P 31 2""","152","PhBPSTMe","","","- C12 H11 N3 S2 Se2 -","- C12 H11 N3 S2 Se2 -","- C36 H33 N9 S6 Se6 -","3","0.5","","Brusso, Jaclyn L.; Derakhshan, Shahab; Itkis, Mikhail E.; Kleinke, Holger; Haddon, Robert C.; Oakley, Richard T.; Reed, Robert W.; Richardson, John F.; Robertson, Craig M.; Thompson, Laurence K.","Isostructural bisdithiazolyl and bisthiaselenazolyl radicals: trends in bandwidth and conductivity.","Inorganic chemistry","2006","45","26","10958","10966","10.1021/ic061687c","powder diffraction","x-ray","1.54056","Kα~1~","","","","","","","","0.12711","","626.98","","","","","","","has coordinates","239971","2020-10-21","18:00:00",""
"4350629","10.327","0.002","15.407","0.004","19.409","0.004","85.129","0.004","75.059","0.004","70.421","0.004","2811.2","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","PhBPEt","","","- C13 H10 N3 S4 -","- C13 H10 N3 S4 -","- C104 H80 N24 S32 -","8","4","","Brusso, Jaclyn L.; Derakhshan, Shahab; Itkis, Mikhail E.; Kleinke, Holger; Haddon, Robert C.; Oakley, Richard T.; Reed, Robert W.; Richardson, John F.; Robertson, Craig M.; Thompson, Laurence K.","Isostructural bisdithiazolyl and bisthiaselenazolyl radicals: trends in bandwidth and conductivity.","Inorganic chemistry","2006","45","26","10958","10966","10.1021/ic061687c","","","0.71073","MoKα","","0.0871","0.0615","","","0.1456","0.1763","","","","","","1.053","","","","has coordinates","239972","2020-10-21","18:00:00",""
"4350630","9.1049","0.0001","37.0451","0.0004","15.3593","0.0002","90","","92.2726","0.0004","90","","5176.49","0.1","200","","200","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C31 H31 Ir3 O11 W2 -","- C31 H31 Ir3 O11 W2 -","- C186 H186 Ir18 O66 W12 -","6","3","","Usher, Alistair J.; Lucas, Nigel T.; Dalton, Gulliver T.; Randles, Michael D.; Viau, Lydie; Humphrey, Mark G.; Petrie, Simon; Stranger, Robert; Willis, Anthony C.; Rae, A. David","Mixed-metal cluster chemistry. 29. Core expansion and ligand-driven metal exchange at group 6-iridium clusters.","Inorganic chemistry","2006","45","26","10859","10872","10.1021/ic061736l","","","0.71073","MoKα","","","0.054","","","","0.059","","","","","","1.12","","","","has coordinates","239973","2020-10-21","18:00:00",""
"4350631","16.1853","0.0002","13.856","0.0002","13.7858","0.0002","90","","90","","90","","3091.65","0.07","293","","293","","","","","","","","?","5","P n m a","-P 2ac 2n","62","","","","- C26 H21 Ir3 Mo2 O11 -","- C26 H21 Ir3 Mo2 O11 -","- C104 H84 Ir12 Mo8 O44 -","4","0.5","","Usher, Alistair J.; Lucas, Nigel T.; Dalton, Gulliver T.; Randles, Michael D.; Viau, Lydie; Humphrey, Mark G.; Petrie, Simon; Stranger, Robert; Willis, Anthony C.; Rae, A. David","Mixed-metal cluster chemistry. 29. Core expansion and ligand-driven metal exchange at group 6-iridium clusters.","Inorganic chemistry","2006","45","26","10859","10872","10.1021/ic061736l","","","0.71073","MoKα","","","0.0238","","","","0.0271","","","","","","1.0897","","","","has coordinates","239973","2020-10-21","18:00:00",""
"4350632","9.1429","0.0001","37.2254","0.0003","15.4543","0.0001","90","","92.1771","0.0002","90","","5256.05","0.08","293","","293","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C31 H31 Ir3 Mo2 O11 -","- C31 H31 Ir3 Mo2 O11 -","- C186 H186 Ir18 Mo12 O66 -","6","3","","Usher, Alistair J.; Lucas, Nigel T.; Dalton, Gulliver T.; Randles, Michael D.; Viau, Lydie; Humphrey, Mark G.; Petrie, Simon; Stranger, Robert; Willis, Anthony C.; Rae, A. David","Mixed-metal cluster chemistry. 29. Core expansion and ligand-driven metal exchange at group 6-iridium clusters.","Inorganic chemistry","2006","45","26","10859","10872","10.1021/ic061736l","","","0.71073","MoKα","","","0.0235","","","","0.0206","","","","","","1.073","","","","has coordinates","239973","2020-10-21","18:00:00",""
"4350633","13.0086","0.0002","13.5437","0.0002","16.6804","0.0002","90","","90","","90","","2938.83","0.07","200","","200","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Ir3 Mo2 O11 -","- C25 H19 Ir3 Mo2 O11 -","- C100 H76 Ir12 Mo8 O44 -","4","1","","Usher, Alistair J.; Lucas, Nigel T.; Dalton, Gulliver T.; Randles, Michael D.; Viau, Lydie; Humphrey, Mark G.; Petrie, Simon; Stranger, Robert; Willis, Anthony C.; Rae, A. David","Mixed-metal cluster chemistry. 29. Core expansion and ligand-driven metal exchange at group 6-iridium clusters.","Inorganic chemistry","2006","45","26","10859","10872","10.1021/ic061736l","","","0.71073","MoKα","","","0.0214","","","","0.0228","","","","","","1.0618","","","","has coordinates","239973","2020-10-21","18:00:00",""
"4350634","21.52","0.003","15.621","0.002","9.805","0.003","90","","90","","90","","3296.1","1.2","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H27 Ir3 Mo2 O11 -","- C29 H27 Ir3 Mo2 O11 -","- C116 H108 Ir12 Mo8 O44 -","4","0.5","","Usher, Alistair J.; Lucas, Nigel T.; Dalton, Gulliver T.; Randles, Michael D.; Viau, Lydie; Humphrey, Mark G.; Petrie, Simon; Stranger, Robert; Willis, Anthony C.; Rae, A. David","Mixed-metal cluster chemistry. 29. Core expansion and ligand-driven metal exchange at group 6-iridium clusters.","Inorganic chemistry","2006","45","26","10859","10872","10.1021/ic061736l","","","0.7107","MoKα","","0.0702","0.0297","","0.037","","0.0318","","","1.326","","","1.378","","","","has coordinates","239973","2020-10-21","18:00:00",""
"4350635","10.5092","0.0004","12.5716","0.0005","21.8262","0.0009","90","","97.515","0.001","90","","2858.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(C6F5)2TAP]CuCO(CH3CN)","","","- C23 H3 Cu F24 N4 O -","- C23 H3 Cu F24 N4 O -","- C92 H12 Cu4 F96 N16 O4 -","4","1","","Dias, H. V. Rasika; Singh, Shreeyukta; Flores, Jaime A.","Syntheses of highly fluorinated 1,3,5-triazapentadienyl ligands and their use in the isolation of copper(I)-carbonyl and copper(I)-ethylene complexes.","Inorganic chemistry","2006","45","22","8859","8861","10.1021/ic061739y","","","0.71073","MoKα","","0.0322","0.03","","","0.0812","0.083","","","","","","1.06","","","","has coordinates","239974","2020-10-21","18:00:00",""
"4350636","12.6364","0.0007","21.8933","0.0012","10.8052","0.0006","90","","90","","90","","2989.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[(CF3,F-Ph)2TAP]CuCO(CH3CN)","","","- C25 H9 Cu F22 N4 O -","- C25 H9 Cu F22 N4 O -","- C100 H36 Cu4 F88 N16 O4 -","4","0.5","","Dias, H. V. Rasika; Singh, Shreeyukta; Flores, Jaime A.","Syntheses of highly fluorinated 1,3,5-triazapentadienyl ligands and their use in the isolation of copper(I)-carbonyl and copper(I)-ethylene complexes.","Inorganic chemistry","2006","45","22","8859","8861","10.1021/ic061739y","","","0.71073","MoKα","","0.0483","0.0454","","","0.1095","0.1112","","","","","","1.098","","","","has coordinates,has disorder","239974","2020-10-21","18:00:00",""
"4350637","24.6256","0.0016","9.7507","0.0006","25.1455","0.0016","90","","113.278","0.001","90","","5546.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(CF3,F-Ph)2TAP]CuCO","","","- C23 H6 Cu F22 N3 O -","- C23 H6 Cu F22 N3 O -","- C184 H48 Cu8 F176 N24 O8 -","8","2","","Dias, H. V. Rasika; Singh, Shreeyukta; Flores, Jaime A.","Syntheses of highly fluorinated 1,3,5-triazapentadienyl ligands and their use in the isolation of copper(I)-carbonyl and copper(I)-ethylene complexes.","Inorganic chemistry","2006","45","22","8859","8861","10.1021/ic061739y","","","0.71073","MoKα","","0.0776","0.0556","","","0.1461","0.1626","","","","","","1.023","","","","has coordinates","239974","2020-10-21","18:00:00",""
"4350638","11.6782","0.0005","21.132","0.0008","11.3774","0.0004","90","","106.438","0.001","90","","2692.99","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(C6F5)2TAP]CuC2H4","","","- C22 H4 Cu F24 N3 -","- C22 H4 Cu F24 N3 -","- C88 H16 Cu4 F96 N12 -","4","1","","Dias, H. V. Rasika; Singh, Shreeyukta; Flores, Jaime A.","Syntheses of highly fluorinated 1,3,5-triazapentadienyl ligands and their use in the isolation of copper(I)-carbonyl and copper(I)-ethylene complexes.","Inorganic chemistry","2006","45","22","8859","8861","10.1021/ic061739y","","","0.71073","MoKα","","0.0497","0.0376","","","0.0928","0.0998","","","","","","1.023","","","","has coordinates","239974","2020-10-21","18:00:00",""
"4350639","14.374","0.006","24.425","0.01","22.097","0.01","90","","102.66","0.04","90","","7569","6","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C93 H56 Cl2 N8 O4 Rh4 -","- C93 H56 Cl2 N8 O4 Rh4 -","- C372 H224 Cl8 N32 O16 Rh16 -","4","1","","Toganoh, Motoki; Niino, Teppei; Maeda, Hiromitsu; Andrioletti, Bruno; Furuta, Hiroyuki","Unprecedented formation of a rhodium cluster triggered by rhodium-fastened N-confused gable porphyrin.","Inorganic chemistry","2006","45","26","10428","10430","10.1021/ic061741p","","","0.7107","MoKα","","0.0681","0.054","","","0.1376","0.1462","","","","","","1.035","","","","has coordinates","239975","2020-10-21","18:00:00",""
"4500056","15.118","0.002","15.118","0.002","9.105","0.0018","90","","90","","90","","2081","0.6","276","2","276","2","","","","","","","Synthesized by the authors. See text","4","P 42 21 2","P 4n 2n","94","","","","- C50 H32 N6 O2 -","- C50 H32 N6 O2 -","- C100 H64 N12 O4 -","2","0.25","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0603","0.0538","","","0.1505","0.1602","","","","","","1.059","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500057","9.053","0.0018","15.12","0.003","15.057","0.003","90","","102.25","0.03","90","","2014.1","0.7","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H32 N6 O2 -","- C50 H32 N6 O2 -","- C100 H64 N12 O4 -","2","0.5","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.1219","0.0788","","","0.2073","0.2268","","","","","","1.057","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500058","15.2168","0.0003","15.2168","0.0003","9.0188","0.0003","90","","90","","90","","2088.31","0.09","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 42 21 2","P 4n 2n","94","","","","- C52 H36 N6 O2 -","- C52 H36 N6 O2 -","- C104 H72 N12 O4 -","2","0.25","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0596","0.0515","","","0.1621","0.1717","","","","","","1.045","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500059","9.0763","0.0007","14.7937","0.0012","19.3722","0.0014","90","","91.237","0.004","90","","2600.5","0.3","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 N6 O6 -","- C60 H40 N6 O6 -","- C120 H80 N12 O12 -","2","0.5","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0807","0.0798","","","0.1899","0.1904","","","","","","1.059","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500060","23.572","0.0014","23.572","0.0014","10.2698","0.0013","90","","90","","120","","4941.8","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","R -3 m :H","-R 3 2""","166","","","","- C66 H72 N12 O9 -","- C66.006 H72.014 N12 O8.988 -","- C198.018 H216.042 N36 O26.964 -","3","0.0833333","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0728","0.0633","","","0.1596","0.161","","","","","","1.021","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500061","23.338","0.009","23.338","0.009","10.842","0.009","90","","90","","120","","5114","5","280","2","280","2","","","","","","","Synthesized by the authors. See text","5","R 3 2 :H","R 3 2""","155","","","","- C60 H64 N6 O8 S6 -","- C60 H63.9998 N6 O7.9998 S6 -","- C180 H191.999 N18 O23.9994 S18 -","3","0.166667","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0872","0.0732","","","0.1681","0.1701","","","","","","1.063","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500062","24.165","0.002","24.165","0.002","9.9242","0.0012","90","","90","","120","","5018.8","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","R -3 m :H","-R 3 2""","166","","","","- C72 H72 N6 O12 -","- C48 H24 N6 -","- C144 H72 N18 -","3","0.0833333","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.1516","0.0786","","","0.2455","0.2603","","","","","","1.056","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500063","23.6533","0.0002","23.6533","0.0002","10.1601","0.0002","90","","90","","120","","4922.8","0.11","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","R -3 m :H","-R 3 2""","166","","","","- C78 H81 N9 O6 -","- C78 H93 N12 O6 -","- C234 H279 N36 O18 -","3","0.0833333","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0665","0.0657","","","0.1619","0.1623","","","","","","1.077","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500064","13.12","0.0019","13.12","0.0019","8.881","0.0018","90","","90","","90","","1528.7","0.4","293","2","293","2","","","","","","","Synthesized by the authors. See text","3","I -4","I -4","82","","","","- C37 H28 O4 -","- C37 H28 O4 -","- C74 H56 O8 -","2","0.25","","Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest","Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether","Cryst. Growth & Design","2006","6","","1335","1340","10.1021/cg050568p","","","1.54178","CuKα","","0.0398","0.036","","","0.0856","0.0873","","","","","","1.045","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500065","19.338","0.01","8.849","0.004","18.388","0.011","90","","90.329","0.018","90","","3147","3","293","2","293","2","","","","","","","Synthesized by the authors. See text","3","C 1 2/c 1","-C 2yc","15","","","","- C37 H28 O4 -","- C37 H28 O4 -","- C148 H112 O16 -","4","0.5","","Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest","Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether","Cryst. Growth & Design","2006","6","","1335","1340","10.1021/cg050568p","","","1.54178","CuKα","","0.0585","0.057","","","0.1465","0.1491","","","","","","1.076","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500066","10.0538","0.0005","25.6951","0.0012","34.3888","0.0017","90","","90","","90","","8883.8","0.7","220","2","220","2","","","","","","","Synthesized by the authors. See text","3","P b c a","-P 2ac 2ab","61","","","","- C61 H44 O4 -","- C61 H44 O4 -","- C488 H352 O32 -","8","1","","Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest","Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether","Cryst. Growth & Design","2006","6","","1335","1340","10.1021/cg050568p","","","1.54178","CuKα","","0.0822","0.0511","","","0.1181","0.1269","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500067","13.3774","0.001","18.5479","0.0014","21.6543","0.0015","91.4","0.004","98.717","0.004","98.773","0.004","5242.5","0.7","220","2","220","2","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","","","- C132 H110 O9 -","- C133 H102 O8 -","- C266 H204 O16 -","2","1","","Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest","Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether","Cryst. Growth & Design","2006","6","","1335","1340","10.1021/cg050568p","","","1.54178","CuKα","","0.1286","0.0589","","","0.1472","0.1622","","","","","","1.038","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4504477","16.172","0.003","18.456","0.004","9.9","0.002","90","","112.172","0.004","90","","2736.4","1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(imidazolium 2,4,6-tricarboxypyridine) cobalt(II) trihydrate","","- C22 H22 Co N6 O15 -","- C22 H16 Co N6 O15 -","- C88 H64 Co4 N24 O60 -","4","0.5","","Yigit, Mehmet V.; Biyikli, Kasim; Moulton, Brian; MacDonald, John C.","Bis(imidazolium 2,4,6-tricarboxypyridine) Metal(II) Complexes: Molecular Building Blocks that Generate Isomorphous Hydrogen-Bonded Frameworks","Crystal Growth & Design","2006","6","1","63","","10.1021/cg050084t","","","0.71073","MoKα","","0.0577","0.0513","","","0.1423","0.1468","","","","","","1.076","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504478","16.0967","0.0013","18.4218","0.0015","9.8346","0.0008","90","","111.609","0.001","90","","2711.3","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(imidazolium 2,4,6-tricarboxypyridine) nickel(II) trihydrate","","- C22 H22 N6 Ni O15 -","- C22 H16 N6 Ni O15 -","- C88 H64 N24 Ni4 O60 -","4","0.5","","Yigit, Mehmet V.; Biyikli, Kasim; Moulton, Brian; MacDonald, John C.","Bis(imidazolium 2,4,6-tricarboxypyridine) Metal(II) Complexes: Molecular Building Blocks that Generate Isomorphous Hydrogen-Bonded Frameworks","Crystal Growth & Design","2006","6","1","63","","10.1021/cg050084t","","","0.71073","MoKα","","0.0536","0.0465","","","0.1177","0.1219","","","","","","1.074","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504479","16.0819","0.0015","18.6487","0.0017","9.8993","0.0009","90","","112.3","0.001","90","","2746.8","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(imidazolium 2,4,6-tricarboxypyridine) copper(II) trihydrate","","- C22 H22 Cu N6 O15 -","- C22 H16 Cu N6 O15 -","- C88 H64 Cu4 N24 O60 -","4","0.5","","Yigit, Mehmet V.; Biyikli, Kasim; Moulton, Brian; MacDonald, John C.","Bis(imidazolium 2,4,6-tricarboxypyridine) Metal(II) Complexes: Molecular Building Blocks that Generate Isomorphous Hydrogen-Bonded Frameworks","Crystal Growth & Design","2006","6","1","63","","10.1021/cg050084t","","","0.71073","MoKα","","0.0524","0.0456","","","0.1226","0.1279","","","","","","1.077","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504480","16.2364","0.0012","18.3043","0.0013","9.922","0.0007","90","","111.971","0.001","90","","2734.6","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(imidazolium 2,4,6-tricarboxypyridine) zinc(II) trihydrate","","- C22 H22 N6 O15 Zn -","- C22 H18 N6 O15.246 Zn -","- C88 H72 N24 O60.984 Zn4 -","4","0.5","","Yigit, Mehmet V.; Biyikli, Kasim; Moulton, Brian; MacDonald, John C.","Bis(imidazolium 2,4,6-tricarboxypyridine) Metal(II) Complexes: Molecular Building Blocks that Generate Isomorphous Hydrogen-Bonded Frameworks","Crystal Growth & Design","2006","6","1","63","","10.1021/cg050084t","","","0.71073","MoKα","","0.0441","0.0382","","","0.1057","0.1088","","","","","","1.078","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504481","4.202","0.005","8.122","0.007","9.67","0.008","90","","99.91","0.03","90","","325.1","0.5","123.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N2 O4 -","- C6 H4 N2 O4 -","- C12 H8 N4 O8 -","2","0.5","","Akutagawa, Tomoyuki; Nakamura, Takayoshi","Crystal and Electronic Structures of Hydrogen-Bonded 2,5-Diamino-3,6-dihydroxy-p-benzoquinone","Crystal Growth & Design","2006","6","1","70","","10.1021/cg050086d","","","0.7107","MoKα","","","0.061","","","","0.207","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504482","4.5858","0.0001","6.5523","0.0007","8.5457","0.0005","98.236","0.006","104.958","0.003","102.926","0.005","236.22","0.03","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cl2 N2 O4 -","- C6 H10 Cl2 N2 O4 -","- C6 H10 Cl2 N2 O4 -","1","0.5","","Akutagawa, Tomoyuki; Nakamura, Takayoshi","Crystal and Electronic Structures of Hydrogen-Bonded 2,5-Diamino-3,6-dihydroxy-p-benzoquinone","Crystal Growth & Design","2006","6","1","70","","10.1021/cg050086d","","","0.7107","MoKα","","","0.047","","","","0.057","","","","","","0.552","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504483","5.12","0.001","8.6232","0.0017","8.7958","0.0018","96.93","0.03","100.45","0.03","105.75","0.03","361.59","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Fe2 H Na O8 P2 -","- Fe2 H Na O8 P2 -","- Fe4 H2 Na2 O16 P4 -","2","1","","Zhao, Zhi-Feng; Zhou, Bai-Bin; Su, Zhan-Hua; Zhang, Xu; Li, Guang-Hua","Synthesis and Characterization of New Open-Framework Iron(II) Phosphate with 1D Tube and Double Layer Structure, NaFe2(PO4)(HPO4)","Crystal Growth & Design","2006","6","3","632","","10.1021/cg050142a","","","0.71073","MoKα","","0.0393","0.0365","","","0.095","0.0967","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504484","11.834","0.002","11.931","0.002","15.764","0.003","90","","105.39","0.003","90","","2145.9","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 O6 -","- C54 H46 O6 -","- C108 H92 O12 -","2","0.5","","Nuñez, Jose E.; Khuong, Tinh-Alfredo V.; Campos, Luis M.; Farfán, Norberto; Dang, Hung; Karlen, Steven D.; Garcia-Garibay, Miguel A.","Crystal Phases and Phase Transitions in a Highly Polymorphogenic Solid-State Molecular Gyroscope withmeta-Methoxytrityl Frames","Crystal Growth & Design","2006","6","4","866","","10.1021/cg050155o","","","0.71073","MoKα","","0.0656","0.0443","","","0.1181","0.1312","","","","","","1.054","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504485","6.9849","0.001","10.1656","0.0015","17.697","0.003","77.32","0.002","82.054","0.002","73.833","0.002","1173.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H52 O6 -","- C60 H52 O6 -","- C60 H52 O6 -","1","0.5","","Nuñez, Jose E.; Khuong, Tinh-Alfredo V.; Campos, Luis M.; Farfán, Norberto; Dang, Hung; Karlen, Steven D.; Garcia-Garibay, Miguel A.","Crystal Phases and Phase Transitions in a Highly Polymorphogenic Solid-State Molecular Gyroscope withmeta-Methoxytrityl Frames","Crystal Growth & Design","2006","6","4","866","","10.1021/cg050155o","","","0.71073","MoKα","","0.1348","0.0611","","","0.1437","0.1753","","","","","","0.962","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504486","8.906","0.002","11.926","0.003","11.959","0.003","89.392","0.004","73.078","0.004","89.372","0.004","1215.1","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H50 Cl4 O6 -","- C56 H50 Cl4 O6 -","- C56 H50 Cl4 O6 -","1","0.5","","Nuñez, Jose E.; Khuong, Tinh-Alfredo V.; Campos, Luis M.; Farfán, Norberto; Dang, Hung; Karlen, Steven D.; Garcia-Garibay, Miguel A.","Crystal Phases and Phase Transitions in a Highly Polymorphogenic Solid-State Molecular Gyroscope withmeta-Methoxytrityl Frames","Crystal Growth & Design","2006","6","4","866","","10.1021/cg050155o","","","0.71073","MoKα","","0.102","0.0593","","","0.1554","0.1773","","","","","","1.01","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504487","8.7673","0.0004","9.8149","0.0004","10.1743","0.0004","113.897","0.003","105.754","0.003","102.104","0.003","717.74","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 Gd Na O13 -","- C10 H2 Gd Na O13 -","- C20 H4 Gd2 Na2 O26 -","2","1","","Cañadillas-Delgado, Laura; Fabelo, Óscar; Ruíz-Pérez, Catalina; Delgado, Fernando S.; Julve, Miguel; Hernández-Molina, María; Laz, M. Milagros; Lorenzo-Luis, Pablo","Zeolite-like Nanoporous Gadolinium Complexes Incorporating Alkaline Cations","Crystal Growth & Design","2006","6","1","87","","10.1021/cg050170t","","x-ray","0.71073","MoKα","","0.0583","0.0426","","","0.0958","0.1012","","","","","","1.06","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504488","7.119","0.001","8.783","0.002","15.067","0.003","79.61","0.03","87.52","0.03","83.21","0.03","919.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 Gd K O15 -","- C10 H2 Gd K O15 -","- C20 H4 Gd2 K2 O30 -","2","1","","Cañadillas-Delgado, Laura; Fabelo, Óscar; Ruíz-Pérez, Catalina; Delgado, Fernando S.; Julve, Miguel; Hernández-Molina, María; Laz, M. Milagros; Lorenzo-Luis, Pablo","Zeolite-like Nanoporous Gadolinium Complexes Incorporating Alkaline Cations","Crystal Growth & Design","2006","6","1","87","","10.1021/cg050170t","","x-ray","0.71069","MoKα","","0.032","0.0265","","","0.0649","0.0665","","","","","","1.044","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504489","18.005","0.004","23.732","0.005","23.235","0.005","90","","90.46","0.03","90","","9928","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 Cr2 Cu3 N21 O3 -","- C48 H39 Cr2 Cu3 N21 O3 -","- C192 H156 Cr8 Cu12 N84 O12 -","4","1","","Liu, Cai-Ming; Gao, Song; Kou, Hui-Zhong; Zhang, De-Qing; Sun, Hao-Ling; Zhu, Dao-Ben","Synthesis, Crystal Structure, and Magnetic Properties of a Three-Dimensional Cyano-Bridged Bimetallic Coordination Polymer with an Aromatic Amine Capping Ligand: [Cu(2,2‘-dpa)]3[Cr(CN)6]2·3H2O (2,2‘-dpa = 2,2‘-Dipicolylamine)","Crystal Growth & Design","2006","6","1","94","","10.1021/cg050186j","","","0.71073","MoKα","","0.2509","0.0889","","","0.2307","0.2851","","","","","","0.822","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504490","10.513","0.011","13.875","0.014","15.776","0.016","70.98","0.02","83.57","0.02","69.665","0.018","2040","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Cu N8 O10 -","- C40 H46 Cu N8 O10 -","- C80 H92 Cu2 N16 O20 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.2135","0.0801","","","0.1061","0.1394","","","","","","0.949","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504491","12.395","0.003","26.267","0.006","26.362","0.007","90","","92.635","0.005","90","","8574","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H39 Cu N10 O11.5 -","- C36 H28 Cu N10 O11.5 -","- C288 H224 Cu8 N80 O92 -","8","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.2879","0.1122","","","0.2531","0.3422","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504492","13.326","0.004","21.715","0.006","26.318","0.008","90","","90","","90","","7616","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H34 Cl2 Cu N8 O11 -","- C36 H28 Cl2 Cu N8 O11 -","- C288 H224 Cl16 Cu8 N64 O88 -","8","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.2054","0.0791","","","0.1541","0.2049","","","","","","1.028","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504493","12.485","0.005","15.142","0.006","15.19","0.006","83.104","0.007","75.796","0.007","79.584","0.007","2729.3","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H47 Cd Cl2 N12 O10.5 -","- C54 H42 Cd Cl2 N12 O10.5 -","- C108 H84 Cd2 Cl4 N24 O21 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.131","0.0674","","","0.1376","0.1646","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504494","10.791","0.004","13.923","0.007","19.756","0.009","72.297","0.012","78.201","0.014","68.683","0.013","2619","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cl4 Cu2 N12 O19 -","- C40 H36 Cl4 Cu2 N12 O19 -","- C80 H72 Cl8 Cu4 N24 O38 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.2458","0.1352","","","0.325","0.3906","","","","","","1.049","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504495","18.17","0.007","13.24","0.005","19.064","0.007","90","","90","","90","","4586","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H40 Co2 N16 O14 -","- C40 H40 Co2 N16 O14 -","- C160 H160 Co8 N64 O56 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.1259","0.0494","","","0.0816","0.104","","","","","","1.02","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504496","10.1298","0.0006","12.3163","0.0006","12.9485","0.0007","111.533","0.002","106.068","0.002","99.921","0.002","1374.57","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl2 Cu N8 O8 -","- C26 H20 Cl2 Cu N8 O8 -","- C52 H40 Cl4 Cu2 N16 O16 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.1146","0.0702","","","0.1984","0.2528","","","","","","0.998","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504497","13.818","0.008","16.645","0.008","20.937","0.011","109.508","0.01","107.144","0.009","90.923","0.009","4302","4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H72 B2 F8 N16 Ni2 O16 S -","- C56 H40 B2 F8 N16 Ni2 O16 S -","- C112 H80 B4 F16 N32 Ni4 O32 S2 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.2487","0.1125","","","0.2745","0.3636","","","","","","0.98","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504498","32.067","0.012","25.61","0.009","17.498","0.007","90","","115.187","0.006","90","","13004","8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H128 Cl10 Cu6 N20 O69 -","- C76 H72 Cl10 Cu6 N20 O69 -","- C304 H288 Cl40 Cu24 N80 O276 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.2143","0.0875","","","0.2107","0.2788","","","","","","1.007","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504499","8.2894","0.0007","14.023","0.0012","10.3955","0.0008","90","","90.525","0.002","90","","1208.35","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Mn N2 O7 -","- C12 H8 Mn N2 O7 -","- C48 H32 Mn4 N8 O28 -","4","1","","Tang, Yun-Zhi; Wang, Xi-Sen; Zhou, Ting; Xiong, Ren-Gen","A Novel 2D Manganese(II) Coordination Polymer Exhibiting Ferromagnetic Interaction","Crystal Growth & Design","2006","6","1","11","13","10.1021/cg050222e","","","0.71073","MoKα","","0.0996","0.0625","","","0.132","0.1492","","","","","","0.992","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504500","20.9326","0.0018","20.9326","0.0018","14.6836","0.0017","90","","90","","120","","5572","0.9","91","2","91","2","","","","","","","","4","P -3","-P 3","147","C60.1.5H2F20TPP.6benzene","","","- C162 H51 F30 N6 -","- C162.12 H51 F30 N6 -","- C324.24 H102 F60 N12 -","2","0.333333","","Olmstead, Marilyn M.; Nurco, Daniel J.","Fluorinated Tetraphenylporphyrins as Cocrystallizing Agents for C60and C70","Crystal Growth & Design","2006","6","1","109","","10.1021/cg050225r","","","0.71073","MoKα","","0.0663","0.0512","","","0.127","0.1396","","","","","","1.031","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504501","28.7889","0.0013","28.7889","0.0013","12.7959","0.0008","90","","90","","90","","10605.3","0.9","91","2","91","2","","","","","","","","4","I 41/a :2","-I 4ad","88","C70.H2F20TPP.8benzene","","","- C162 H58 F20 N4 -","- C162 H58 F20 N4 -","- C648 H232 F80 N16 -","4","0.25","","Olmstead, Marilyn M.; Nurco, Daniel J.","Fluorinated Tetraphenylporphyrins as Cocrystallizing Agents for C60and C70","Crystal Growth & Design","2006","6","1","109","","10.1021/cg050225r","","","0.71073","MoKα","","0.1422","0.0848","","","0.2518","0.2892","","","","","","1.117","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504502","28.3348","0.0019","28.3348","0.0019","12.4941","0.0016","90","","90","","90","","10031","1.6","10","3","10","3","","","","","","","","5","I 41/a :2","-I 4ad","88","C60.NiF20TPP.8benzene","","","- C152 H56 F20 N4 Ni -","- C152 H56 F20 N4 Ni -","- C608 H224 F80 N16 Ni4 -","4","0.25","","Olmstead, Marilyn M.; Nurco, Daniel J.","Fluorinated Tetraphenylporphyrins as Cocrystallizing Agents for C60and C70","Crystal Growth & Design","2006","6","1","109","","10.1021/cg050225r","","","0.71073","MoKα","","0.0962","0.0455","","","0.093","0.1196","","","","","","1.003","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504503","24.123","0.004","19.831","0.003","14.441","0.003","90","","90","","90","","6908","2","18","3","18","3","","","","","","","","6","C m c 21","C 2c -2","36","C70.ClFeF20TPP","","","- C114 H8 Cl F20 Fe N4 -","- C114 H8 Cl F20 Fe N4 -","- C456 H32 Cl4 F80 Fe4 N16 -","4","0.5","","Olmstead, Marilyn M.; Nurco, Daniel J.","Fluorinated Tetraphenylporphyrins as Cocrystallizing Agents for C60and C70","Crystal Growth & Design","2006","6","1","109","","10.1021/cg050225r","","","0.71073","MoKα","","0.1463","0.0608","","","0.1174","0.1597","","","","","","1.028","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504504","13.738","0.0002","13.738","0.0002","32.7248","0.0001","90","","90","","120","","5348.78","0.11","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C69 H63 Cl2 Cu2 N9 O8 P2 -","- C69 H63 Cl2 Cu2 N9 O7.98 P2 -","- C207 H189 Cl6 Cu6 N27 O23.94 P6 -","3","0.333333","","Song, Yu-Mei; Zhou, Ting; Wang, Xi-Sen; Li, Xiao-Nian; Xiong, Ren-Gen","Resolution of a Racemic Small Molecular Alcohol by a Chiral Metal−Organic Coordination Polymer through Intercalation","Crystal Growth & Design","2006","6","1","14","","10.1021/cg050239x","","","0.71073","MoKα","","0.1468","0.0703","","","0.1457","0.1773","","","","","","0.928","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504505","13.7282","0.0004","13.7282","0.0004","32.7155","0.0012","90","","90","","120","","5339.6","0.3","295","2","295","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C75 H78 Cl2 Cu2 N9 O9.5 P2 -","- C75 H63 Cl2 Cu2 N9 O9.42 P2 -","- C225 H189 Cl6 Cu6 N27 O28.26 P6 -","3","0.333333","","Song, Yu-Mei; Zhou, Ting; Wang, Xi-Sen; Li, Xiao-Nian; Xiong, Ren-Gen","Resolution of a Racemic Small Molecular Alcohol by a Chiral Metal−Organic Coordination Polymer through Intercalation","Crystal Growth & Design","2006","6","1","14","","10.1021/cg050239x","","","0.71073","MoKα","","0.1008","0.0454","","","0.0605","0.0663","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504506","15.511","0.002","15.511","0.002","22.398","0.005","90","","90","","90","","5388.8","1.6","173","2","173","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","none","p-hexanoyl calix[4]arene. dioxane","","- C56 H72 O10 -","- C52 H36 O13.03 -","- C208 H144 O52.12 -","4","0.25","","Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R.","Inclusion of Terpenes bypara-Acyl Calix[4]arenes","Crystal Growth & Design","2006","6","1","132","","10.1021/cg050240w","","","0.71073","MoKα","","0.2346","0.11","","","0.2997","0.3693","","","","","","1.153","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504507","15.433","0.002","15.433","0.002","22.654","0.005","90","","90","","90","","5395.7","1.5","173","2","173","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","none","p-hexanoyl calix[4]arene. tetrahydrofurane","","- C52 H72 O9 -","- C57 H28 O8 -","- C228 H112 O32 -","4","0.25","","Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R.","Inclusion of Terpenes bypara-Acyl Calix[4]arenes","Crystal Growth & Design","2006","6","1","132","","10.1021/cg050240w","","","0.71073","MoKα","","0.1955","0.1158","","","0.3284","0.3789","","","","","","1.321","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504508","15.371","0.003","21.945","0.004","15.966","0.003","90","","90.07","0.03","90","","5385.6","1.8","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","none","","","- C70 H94 O9 -","- C62 H70.5 O9 -","- C248 H282 O36 -","4","2","","Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R.","Inclusion of Terpenes bypara-Acyl Calix[4]arenes","Crystal Growth & Design","2006","6","1","132","","10.1021/cg050240w","","","0.9726","-","","0.0907","0.0874","","","0.2301","0.2343","","","","","","1.061","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504509","12.735","0.003","15.736","0.003","15.786","0.003","89.68","0.03","74.78","0.03","83.67","0.03","3033","1.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","none","p-octanoyl calix[4]arene. dioxane","","- C64 H88 O10 -","- C59.5 H58 O13.02 -","- C119 H116 O26.04 -","2","1","","Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R.","Inclusion of Terpenes bypara-Acyl Calix[4]arenes","Crystal Growth & Design","2006","6","1","132","","10.1021/cg050240w","","","0.71073","MoKα","","0.2276","0.137","","","0.3832","0.4338","","","","","","1.424","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504510","12.848","0.003","15.72","0.003","15.732","0.003","90.03","0.03","103.59","0.03","97.69","0.03","3059","1.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","none","p-octanoyl calix[4]arene. 2(acetone)","","- C66 H92 O10 -","- C61.5 H58 O10 -","- C123 H116 O20 -","2","1","","Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R.","Inclusion of Terpenes bypara-Acyl Calix[4]arenes","Crystal Growth & Design","2006","6","1","132","","10.1021/cg050240w","","","0.71073","MoKα","","0.2101","0.1295","","","0.3631","0.4267","","","","","","1.327","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504511","8.2811","0.0007","8.9677","0.0008","11.3326","0.001","84.957","0.002","85.908","0.002","78.397","0.002","819.95","0.12","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N O5 -","- C21 H18 N O5 -","- C42 H36 N2 O10 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Pentaphenol Adducts: Formation of 3D Network and Ladder-type Supramolecular Structures in the Solid State","Crystal Growth & Design","2006","6","3","636","","10.1021/cg050250x","","","0.71073","MoKα","","0.0772","0.0583","","","0.1367","0.1474","","","","","","1.02","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504512","10.1552","0.0006","11.6299","0.0007","14.7513","0.0008","85.255","0.001","87.575","0.001","78.655","0.001","1701.69","0.17","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H36 N4 O7 -","- C39 H36 N4 O7 -","- C78 H72 N8 O14 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Pentaphenol Adducts: Formation of 3D Network and Ladder-type Supramolecular Structures in the Solid State","Crystal Growth & Design","2006","6","3","636","","10.1021/cg050250x","","","0.71073","MoKα","","0.0631","0.0546","","","0.1506","0.1593","","","","","","1.036","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504513","9.271","0.003","11.411","0.003","19.019","0.005","94.536","0.007","98.807","0.006","111.515","0.006","1829.7","0.9","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H40 N4 O7 -","- C43 H40 N4 O7 -","- C86 H80 N8 O14 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Pentaphenol Adducts: Formation of 3D Network and Ladder-type Supramolecular Structures in the Solid State","Crystal Growth & Design","2006","6","3","636","","10.1021/cg050250x","","","0.71073","MoKα","","0.0787","0.0558","","","0.131","0.1429","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504514","9.365","0.003","10.982","0.004","20.548","0.007","95.303","0.007","100.593","0.007","111.273","0.007","1906.3","1.1","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H44 N4 O7 -","- C43 H44 N4 O7 -","- C86 H88 N8 O14 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Pentaphenol Adducts: Formation of 3D Network and Ladder-type Supramolecular Structures in the Solid State","Crystal Growth & Design","2006","6","3","636","","10.1021/cg050250x","","","0.71073","MoKα","","0.1329","0.075","","","0.1629","0.1903","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504515","15.1889","0.0018","7.5002","0.0009","25.839","0.003","90","","90","","90","","2943.6","0.6","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts","Crystal Growth & Design","2006","6","1","150","","10.1021/cg050251p","","","0.71073","MoKα","","0.1234","0.0815","","","0.1619","0.1792","","","","","","1.134","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504516","8.2627","0.0013","10.0415","0.0016","10.3726","0.0017","90.401","0.003","102.338","0.003","96.76","0.004","834.4","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N O3 -","- C21 H18 N O3 -","- C42 H36 N2 O6 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts","Crystal Growth & Design","2006","6","1","150","","10.1021/cg050251p","","","0.71073","MoKα","","0.0586","0.0433","","","0.1165","0.1228","","","","","","1.08","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504517","7.3954","0.0007","18.4187","0.0018","20.333","0.002","90","","90.785","0.002","90","","2769.4","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N3 O3 -","- C34 H28 N3 O3 -","- C136 H112 N12 O12 -","4","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts","Crystal Growth & Design","2006","6","1","150","","10.1021/cg050251p","","","0.71073","MoKα","","0.0972","0.0616","","","0.1317","0.1474","","","","","","1.026","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504518","9.1353","0.0005","10.4475","0.0006","12.0967","0.0007","106.018","0.001","105.787","0.001","97.434","0.001","1041.42","0.1","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N O3.5 -","- C25 H22 N O3.5 -","- C50 H44 N2 O7 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts","Crystal Growth & Design","2006","6","1","150","","10.1021/cg050251p","","","0.71073","MoKα","","0.0711","0.0605","","","0.1565","0.1645","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504519","11.3532","0.0007","12.3238","0.0007","13.6984","0.0008","107.633","0.001","102.933","0.001","93.574","0.002","1762.66","0.18","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H40 N4 O3 -","- C43 H40 N4 O3 -","- C86 H80 N8 O6 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts","Crystal Growth & Design","2006","6","1","150","","10.1021/cg050251p","","","0.71073","MoKα","","0.0915","0.0607","","","0.1232","0.1354","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504520","11.305","0.003","12.491","0.003","14.381","0.004","100.202","0.006","95.766","0.005","103.474","0.006","1922.2","0.9","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H41 N4 O4.5 -","- C47 H40 N4 O4.5 -","- C94 H80 N8 O9 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts","Crystal Growth & Design","2006","6","1","150","","10.1021/cg050251p","","","0.71073","MoKα","","0.1381","0.0593","","","0.1339","0.1615","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504521","10.397","0.005","11.403","0.006","22.459","0.012","90","","101.399","0.009","90","","2610","2","173","2","173","2","","","101.3","","","","","4","C 1 2/c 1","-C 2yc","15","1,2,7-Benzotelluradiazole","1,2,7-Benzotelluradiazole","","- C6 H4 N2 Te -","- C6 H4 N2 Te -","- C96 H64 N32 Te16 -","16","2","","Cozzolino, Anthony F.; Britten, James F.; Vargas-Baca, Ignacio","The Effect of Steric Hindrance on the Association of Telluradiazoles through Te−N Secondary Bonding Interactions","Crystal Growth & Design","2006","6","1","181","","10.1021/cg050260y","","x-ray","0.71073","MoKα","","0.0687","0.0599","","","0.1672","0.1738","","","","","","1.084","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504522","3.9476","0.0009","19.707","0.004","10.501","0.002","90","","100.755","0.007","90","","802.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,6-Dibromo-1,2,7-Benzotelluradiazole","3,6-Dibromo-1,2,7-Benzotelluradiazole","","- C6 H2 Br2 N2 Te -","- C6 H2 Br2 N2 Te -","- C24 H8 Br8 N8 Te4 -","4","1","","Cozzolino, Anthony F.; Britten, James F.; Vargas-Baca, Ignacio","The Effect of Steric Hindrance on the Association of Telluradiazoles through Te−N Secondary Bonding Interactions","Crystal Growth & Design","2006","6","1","181","","10.1021/cg050260y","","x-ray","0.71073","MoKα","","0.0568","0.0432","","","0.0913","0.0954","","","","","","1.04","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504523","6.9047","0.0016","8.4309","0.0019","11.932","0.003","100.118","0.007","104.354","0.007","109.822","0.007","606.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H8 Br2 N2 O S Te -","- C8 H8 Br2 N2 O S Te -","- C16 H16 Br4 N4 O2 S2 Te2 -","2","1","","Cozzolino, Anthony F.; Britten, James F.; Vargas-Baca, Ignacio","The Effect of Steric Hindrance on the Association of Telluradiazoles through Te−N Secondary Bonding Interactions","Crystal Growth & Design","2006","6","1","181","","10.1021/cg050260y","","x-ray","0.71073","MoKα","","0.1134","0.0506","","","0.1028","0.1242","","","","","","0.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504524","30.9099","0.0001","28.3481","0.0002","17.4843","0.0003","90","","99.36","0.03","90","","15116.4","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(1,7-diaza-15-crown-5 + 2H+)1.5?[(H2O)3[Eu(H2O)7Eu(H2O)6(p-sulfonatocalix[4]arene)2](p-sulfonatocalix[4]arene) Eu(H2O)8]?20.75H2O","","","- C99 H187.5 Eu3 N3 O98.25 S12 -","- C99 H84 Eu3 N2.5 O98.68 S12 -","- C396 H336 Eu12 N10 O394.72 S48 -","4","1","","Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Host−Guest Complexes withp-Sulfonatocalix[4,5]arenes Charged Crown Ethers and Lanthanides: Factors Affecting Molecular Capsule Formation","Crystal Growth & Design","2006","6","1","174","","10.1021/cg050261q","","","0.71073","MoKα","","0.1276","0.0922","","","0.2363","0.2618","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504525","19.923","0.0001","21.0935","0.0002","24.7992","0.0002","86.455","0.0003","83.0468","0.0003","80.664","0.001","10198.6","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[(Nd(H2O)9)2][((1,7-diaza-12-crown-4 + 2H+)?p-sulfonatocalix[4]arene)4 + 2H+]?33H2O","","","- C144 H262 N8 Nd2 O123 S16 -","- C144 H160 N8 Nd2 O123 S16 -","- C288 H320 N16 Nd4 O246 S32 -","2","1","","Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Host−Guest Complexes withp-Sulfonatocalix[4,5]arenes Charged Crown Ethers and Lanthanides: Factors Affecting Molecular Capsule Formation","Crystal Growth & Design","2006","6","1","174","","10.1021/cg050261q","","","0.71073","MoKα","","0.1282","0.0866","","","0.2209","0.246","","","","","","1.344","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504526","11.362","0.0004","19.902","0.0006","30.3716","0.0012","90","","96.627","0.002","90","","6821.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[[(1,7-diaza-15-crown-5 + 2H)?p-sulfonatocalix[5]-arene][Eu(H2O)9]]2.11.75H2O","","","- C45 H90.5 Eu N2 O43.75 S5 -","- C45 H49 Eu N2 O43.75 S5 -","- C180 H196 Eu4 N8 O175 S20 -","4","1","","Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Host−Guest Complexes withp-Sulfonatocalix[4,5]arenes Charged Crown Ethers and Lanthanides: Factors Affecting Molecular Capsule Formation","Crystal Growth & Design","2006","6","1","174","","10.1021/cg050261q","","","0.71073","MoKα","","0.0965","0.0728","","","0.1901","0.2162","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504527","17.438","0.005","11.626","0.005","17.477","0.005","90","","104.66","0.05","90","","3428","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N4 O8 Zn -","- C36 H44 N4 O8 Zn -","- C144 H176 N16 O32 Zn4 -","4","1","","Das, Sanjib; Bharadwaj, Parimal K.","Water Clusters Gather Luminescent Zinc(II) Complexes around Hydrogen-Bonded Framework Structures and Associated Fluorescence Modulation","Crystal Growth & Design","2006","6","1","187","","10.1021/cg050263a","","","0.71069","MoKα","","0.1398","0.0833","","","0.2047","0.2333","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504528","12.904","0.005","14.885","0.005","16.565","0.005","90","0.005","106.161","0.005","90","0.005","3056","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N4 O8 Zn -","- C28 H28 N4 O8 Zn -","- C112 H112 N16 O32 Zn4 -","4","1","","Das, Sanjib; Bharadwaj, Parimal K.","Water Clusters Gather Luminescent Zinc(II) Complexes around Hydrogen-Bonded Framework Structures and Associated Fluorescence Modulation","Crystal Growth & Design","2006","6","1","187","","10.1021/cg050263a","","","0.71069","MoKα","","0.1002","0.0695","","","0.2","0.2203","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504529","10.1724","0.0002","10.4722","0.0002","13.8239","0.0003","87.577","0.001","80.213","0.001","63.244","0.001","1294.83","0.05","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C30.5 H19 N3 O9 -","- C30.5 H15 N3 O9 -","- C61 H30 N6 O18 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Lattice Inclusion Complexes Prepared from 1,3,5-Tris(3-nitrobenzoyl)benzene","Crystal Growth & Design","2006","6","1","193","","10.1021/cg050270z","","","0.71073","MoKα","","0.1396","0.0844","","","0.2343","0.2816","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504530","9.9282","0.0002","10.6462","0.0003","13.6124","0.0004","89.671","0.002","81.83","0.001","62.808","0.001","1263.93","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N3 O9.5 S0.5 -","- C28 H17 N3 O9.5 S0.5 -","- C56 H34 N6 O19 S -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Lattice Inclusion Complexes Prepared from 1,3,5-Tris(3-nitrobenzoyl)benzene","Crystal Growth & Design","2006","6","1","193","","10.1021/cg050270z","","","0.71073","MoKα","","0.1333","0.0785","","","0.1972","0.2382","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504531","10.1533","0.0002","10.4483","0.0002","13.7561","0.0003","88.771","0.001","81.733","0.001","64.578","0.001","1302.99","0.05","146","2","146","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H17.5 N3.5 O10 -","- C31.5 H17.5 N3 O10 -","- C63 H35 N6 O20 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Lattice Inclusion Complexes Prepared from 1,3,5-Tris(3-nitrobenzoyl)benzene","Crystal Growth & Design","2006","6","1","193","","10.1021/cg050270z","","","0.71073","MoKα","","0.0997","0.0746","","","0.2118","0.2323","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504532","6.565","0.0002","12.9681","0.0003","13.3554","0.0003","89.03","0.001","87.706","0.001","86.816","0.001","1134.23","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H15 N3 O9 -","- C27 H15 N3 O9 -","- C54 H30 N6 O18 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Lattice Inclusion Complexes Prepared from 1,3,5-Tris(3-nitrobenzoyl)benzene","Crystal Growth & Design","2006","6","1","193","","10.1021/cg050270z","","","0.71073","MoKα","","0.0707","0.0455","","","0.1029","0.1123","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504533","11.8528","0.0009","13.3368","0.001","13.4568","0.001","76.142","0.001","64.772","0.001","68.521","0.001","1781.9","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H66 Cd2 Mo8 N10 O32 -","- C42 H66 Cd2 Mo8 N10 O32 -","- C42 H66 Cd2 Mo8 N10 O32 -","1","0.5","","Liao, Ju-Hsiou; Juang, Jung-Shian; Lai, Yu-Chun","Supermolecular Architecture of a Polypseudo-rotaxane: [Cd(BPE)(α-Mo8O26)][Cd(BPE)(DMF)4]·2DMF (BPE = 1,2-Bis(4-pyridyl)ethane, DMF =N,N-Dimethylformamide)","Crystal Growth & Design","2006","6","2","354","","10.1021/cg050283c","","","0.71073","MoKα","","0.0623","0.0443","","","0.0878","0.094","","","","","","1.061","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504534","6.864","0.003","7.2851","0.0017","11.239","0.004","92.26","0.03","106.75","0.02","111.31","0.02","494.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N4 -","- C26 H22 N4 -","- C26 H22 N4 -","1","0.5","","Cho, Bo-Yeun; Min, Dongwon; Lee, Soon W.","A Long 3,3‘-Bipyridine-Type Linking Ligand and Its Coordination Polymers: [ZnL(NO3)2], [CoL1.5(NO3)2], and [CoL2(NO3)2]·X (L = py-CHN−(CH3)C6H3−C6H3(CH3)−NCH-py); X = Benzene, Toluene)","Crystal Growth & Design","2006","6","1","342","","10.1021/cg0502845","","","0.71073","MoKα","","0.0623","0.0418","","","0.1039","0.1166","","","","","","1.05","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504535","14.631","0.004","14.195","0.004","12.559","0.003","90","","99.43","0.02","90","","2573.1","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N6 O6 Zn -","- C26 H22 N6 O6 Zn -","- C104 H88 N24 O24 Zn4 -","4","0.5","","Cho, Bo-Yeun; Min, Dongwon; Lee, Soon W.","A Long 3,3‘-Bipyridine-Type Linking Ligand and Its Coordination Polymers: [ZnL(NO3)2], [CoL1.5(NO3)2], and [CoL2(NO3)2]·X (L = py-CHN−(CH3)C6H3−C6H3(CH3)−NCH-py); X = Benzene, Toluene)","Crystal Growth & Design","2006","6","1","342","","10.1021/cg0502845","","","0.71073","MoKα","","0.0736","0.0494","","","0.1214","0.1382","","","","","","1.05","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504536","27.965","0.003","19.221","0.002","16.016","0.002","90","","123.124","0.008","90","","7209.8","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H33 Co N8 O6 -","- C39 H33 Co N8 O6 -","- C312 H264 Co8 N64 O48 -","8","1","","Cho, Bo-Yeun; Min, Dongwon; Lee, Soon W.","A Long 3,3‘-Bipyridine-Type Linking Ligand and Its Coordination Polymers: [ZnL(NO3)2], [CoL1.5(NO3)2], and [CoL2(NO3)2]·X (L = py-CHN−(CH3)C6H3−C6H3(CH3)−NCH-py); X = Benzene, Toluene)","Crystal Growth & Design","2006","6","1","342","","10.1021/cg0502845","","","0.71073","MoKα","","0.0863","0.0489","","","0.11","0.1289","","","","","","1.022","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504537","24.346","0.006","16.164","0.004","16.745","0.005","90","","128.103","0.016","90","","5185","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H52 Co N10 O6 -","- C59 H51 Co N10 O6 -","- C236 H204 Co4 N40 O24 -","4","0.5","","Cho, Bo-Yeun; Min, Dongwon; Lee, Soon W.","A Long 3,3‘-Bipyridine-Type Linking Ligand and Its Coordination Polymers: [ZnL(NO3)2], [CoL1.5(NO3)2], and [CoL2(NO3)2]·X (L = py-CHN−(CH3)C6H3−C6H3(CH3)−NCH-py); X = Benzene, Toluene)","Crystal Growth & Design","2006","6","1","342","","10.1021/cg0502845","","","0.71073","MoKα","","0.1484","0.0701","","","0.156","0.1964","","","","","","1.012","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504538","4.266","0.0009","15.07","0.003","10.262","0.002","90","","100.73","0.03","90","","648.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C28 H28 N8 O4 -","2","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.71073","MoKα","","0.0828","0.0423","","","0.0878","0.1169","","","","","","1.172","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504539","26.519","0.005","5.637","0.0011","10.084","0.002","90","","101.36","0.03","90","","1477.9","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C64 H72 N16 O8 -","4","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.71073","MoKα","","0.0769","0.0459","","","0.1107","0.1501","","","","","","0.994","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504540","5.102","0.001","5.279","0.0011","30.784","0.006","90","","91.04","0.03","90","","829","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C36 H44 N8 O4 -","2","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.71073","MoKα","","0.0798","0.0408","","","0.082","0.117","","","","","","1.143","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504541","5.113","0.001","5.323","0.0011","33.792","0.007","90","","92.36","0.03","90","","918.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.71073","MoKα","","0.0611","0.0408","","","0.1043","0.1291","","","","","","1.083","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504542","29.146","0.006","5.424","0.0011","9.852","0.002","90","","99.29","0.03","90","","1537.1","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C64 H72 N16 O8 -","4","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.71073","MoKα","","0.0825","0.0451","","","0.1004","0.134","","","","","","1.142","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504543","5.223","0.001","5.099","0.001","31.065","0.006","90","","95.19","0.03","90","","823.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C36 H44 N8 O4 -","2","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.7093","MoKα","","0.1769","0.0683","","","0.1276","0.1807","","","","","","1.069","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504544","5.242","0.001","5.102","0.001","34.127","0.007","90","","90.73","0.03","90","","912.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.71073","MoKα","","0.1055","0.0505","","","0.1121","0.154","","","","","","1.065","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504545","5.194","0.001","6.926","0.0014","11.034","0.002","94.82","0.03","102","0.03","107.64","0.03","365.37","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","1","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.71073","MoKα","","0.0451","0.035","","","0.0906","0.1014","","","","","","1.084","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504546","10.174","0.005","12.353","0.005","14.723","0.005","102.609","0.005","107.015","0.005","103.53","0.005","1636.4","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H35 Ag2 N8 O8 S -","- C27 H35 Ag2 N8 O8 S -","- C54 H70 Ag4 N16 O16 S2 -","2","1","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Jia, Heng-Qing; Hu, Ning-Hai","Syntheses, Structures, and Characterizations of Four New Silver(I) Sulfonate Coordination Polymers with Neutral Ligands","Crystal Growth & Design","2006","6","1","209","","10.1021/cg050293d","","","0.71069","MoKα","","0.0548","0.036","","","0.0807","0.0886","","","","","","0.93","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504547","14.125","0.005","15.722","0.006","8.51","0.003","90","","90","","90","","1889.8","1.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H20 Ag N5 O3 S -","- C16 H20 Ag N5 O3 S -","- C64 H80 Ag4 N20 O12 S4 -","4","0.5","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Jia, Heng-Qing; Hu, Ning-Hai","Syntheses, Structures, and Characterizations of Four New Silver(I) Sulfonate Coordination Polymers with Neutral Ligands","Crystal Growth & Design","2006","6","1","209","","10.1021/cg050293d","","","0.71073","MoKα","","0.0616","0.0455","","","0.1116","0.1211","","","","","","1.042","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504548","9.725","0.003","10.165","0.003","10.444","0.003","98.447","0.004","94.94","0.005","92.882","0.004","1015.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H21 Ag N2 O5 S -","- C18 H21 Ag N2 O5 S -","- C36 H42 Ag2 N4 O10 S2 -","2","1","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Jia, Heng-Qing; Hu, Ning-Hai","Syntheses, Structures, and Characterizations of Four New Silver(I) Sulfonate Coordination Polymers with Neutral Ligands","Crystal Growth & Design","2006","6","1","209","","10.1021/cg050293d","","","0.71073","MoKα","","0.061","0.0374","","","0.0795","0.0874","","","","","","0.893","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504549","25.227","0.003","11.4304","0.0013","18.886","0.002","90","","125.869","0.002","90","","4413.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H45 Ag3 N6 O14 S2 -","- C42 H45 Ag3 N6 O14 S2 -","- C168 H180 Ag12 N24 O56 S8 -","4","0.5","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Jia, Heng-Qing; Hu, Ning-Hai","Syntheses, Structures, and Characterizations of Four New Silver(I) Sulfonate Coordination Polymers with Neutral Ligands","Crystal Growth & Design","2006","6","1","209","","10.1021/cg050293d","","","0.71073","MoKα","","0.047","0.0332","","","0.0726","0.0785","","","","","","0.943","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504550","7.023","0.004","7.092","0.004","8.304","0.005","74.409","0.011","68.551","0.01","76.846","0.01","366.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H5 Cl2 N Pd0.5 -","- C6 H6 Cl2 N Pd0.5 -","- C12 H12 Cl4 N2 Pd -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.0543","0.0472","","","0.1243","0.1469","","","","","","1.168","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504551","7.0209","0.0016","9.28","0.002","11.633","0.003","85.922","0.004","83.343","0.004","76.84","0.004","732.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Cl4 N3 O Pt -","- C11 H10 Cl4 N3 O Pt -","- C22 H20 Cl8 N6 O2 Pt2 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.0526","0.0387","","","0.1006","0.1097","","","","","","1.058","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504552","7.091","0.003","8.158","0.004","13.722","0.007","102.422","0.008","95.689","0.009","106.505","0.009","732.3","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 Cl4 N3 O Pd -","- C11 H11 Cl4 N3 O Pd -","- C22 H22 Cl8 N6 O2 Pd2 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.1008","0.0627","","","0.1717","0.2403","","","","","","1.13","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504553","14.8984","0.0013","7.025","0.0006","15.941","0.0014","90","","110.899","0.001","90","","1558.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl4 N4 O Pt -","- C11 H12 Cl4 N4 O Pt -","- C44 H48 Cl16 N16 O4 Pt4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.0165","0.0155","","","0.0401","0.0408","","","","","","1.117","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504554","17.171","0.002","7.8632","0.001","12.3623","0.0016","90","","109.443","0.002","90","","1574","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl4 N4 O Pd -","- C11 H12 Cl4 N4 O Pd -","- C44 H48 Cl16 N16 O4 Pd4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.0206","0.0199","","","0.0557","0.0563","","","","","","1.199","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504555","10.6238","0.0009","11.1901","0.0009","12.9218","0.001","90","","97.598","0.001","90","","1522.7","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl4 N3 O Pt -","- C11 H11 Cl4 N3 O Pt -","- C44 H44 Cl16 N12 O4 Pt4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.0267","0.0259","","","0.0692","0.0699","","","","","","1.065","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504556","24.1657","0.0015","7.9739","0.0005","15.2874","0.001","90","","92.695","0.001","90","","2942.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Cl4 N3 O Pd -","- C11 H11 Cl4 N3 O Pd -","- C88 H88 Cl32 N24 O8 Pd8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.0375","0.0339","","","0.087","0.0893","","","","","","1.095","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504557","27.37","0.009","6.884","0.002","15.483","0.005","90","","90","","90","","2917.2","1.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Cl4 N3 O Pt -","- C11 H11 Cl4 N3 O Pt -","- C88 H88 Cl32 N24 O8 Pt8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.049","0.0417","","","0.1052","0.1091","","","","","","1.239","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504558","6.7425","0.0009","8.1137","0.0011","16.254","0.002","102.913","0.002","90.129","0.002","106.973","0.002","826.79","0.19","278","2","278","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H12 Cl4 N4 O2 Pt -","- C11 H12 Cl4 N4 O2 Pt -","- C22 H24 Cl8 N8 O4 Pt2 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.0263","0.0239","","","0.067","0.0686","","","","","","1.089","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504559","13.216","0.0009","8.1166","0.0008","14.0262","0.0009","90","","106.236","0.004","90","","1444.6","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H13 Cl3 Co N4 -","- C10 H13 Cl3 Co N4 -","- C40 H52 Cl12 Co4 N16 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Wu, Nianzu; Ma, Jin Shi","Polymorphism in an Ionic Pair 2-Aminopyridyl-CoIIComplex: Role of N−H···Cl Hydrogen Bonds and π···π Interactions in Tuning the Columnar Packing","Crystal Growth & Design","2006","6","1","229","","10.1021/cg050302i","","","0.71073","MoKα","","0.0367","0.0298","","","0.0474","0.0484","","","","","","1.035","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504560","8.0925","0.0016","9.17","0.0018","10.819","0.002","89.1","0.03","86.28","0.03","64.01","0.03","720.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 Cl3 Co N4 -","- C10 H12 Cl3 Co N4 -","- C20 H24 Cl6 Co2 N8 -","2","1","","Zhang, Guoqi; Yang, Guoqiang; Wu, Nianzu; Ma, Jin Shi","Polymorphism in an Ionic Pair 2-Aminopyridyl-CoIIComplex: Role of N−H···Cl Hydrogen Bonds and π···π Interactions in Tuning the Columnar Packing","Crystal Growth & Design","2006","6","1","229","","10.1021/cg050302i","","","0.71073","MoKα","","0.0558","0.0439","","","0.1328","0.1436","","","","","","1.019","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504561","18.0542","0.0009","18.0542","0.0009","9.6549","0.0009","90","","90","","90","","3147.1","0.4","203","2","203","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C10 H27 I N4 -","- C10 H27 I N4 -","- C80 H216 I8 N32 -","8","1","","Said, Farouq F.; Bazinet, Patrick; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin S.","Hydrogen Bonding Motifs ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Cations with Spherical and Rodlike Monoanions: Syntheses and Structures of I-, I3-, and SCN-Salts","Crystal Growth & Design","2006","6","1","258","","10.1021/cg050303a","","","0.71073","MoKα","","0.0496","0.0328","","","0.0735","0.0825","","","","","","1.005","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504562","8.861","0.0019","26.644","0.006","13.442","0.003","90","","100.85","0.003","90","","3116.8","1.2","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 N4 S -","- C11 H24 N4 S -","- C88 H192 N32 S8 -","8","2","","Said, Farouq F.; Bazinet, Patrick; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin S.","Hydrogen Bonding Motifs ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Cations with Spherical and Rodlike Monoanions: Syntheses and Structures of I-, I3-, and SCN-Salts","Crystal Growth & Design","2006","6","1","258","","10.1021/cg050303a","","","0.71073","MoKα","","0.1098","0.0695","","","0.1802","0.2083","","","","","","1.023","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504563","8.731","0.003","9.906","0.003","11.485","0.003","74.633","0.003","82.483","0.004","82.632","0.004","945","0.5","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H24 I3 N3 -","- C10 H24 I3 N3 -","- C20 H48 I6 N6 -","2","1","","Said, Farouq F.; Bazinet, Patrick; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin S.","Hydrogen Bonding Motifs ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Cations with Spherical and Rodlike Monoanions: Syntheses and Structures of I-, I3-, and SCN-Salts","Crystal Growth & Design","2006","6","1","258","","10.1021/cg050303a","","","0.71073","MoKα","","0.0532","0.0391","","","0.1069","0.1219","","","","","","1.003","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504564","8.231","0.002","18.798","0.006","11.582","0.004","90","","92.43","0.04","90","","1790.4","0.9","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 I N3 -","- C15 H26 I N3 -","- C60 H104 I4 N12 -","4","1","","Said, Farouq F.; Bazinet, Patrick; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin S.","Hydrogen Bonding Motifs ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Cations with Spherical and Rodlike Monoanions: Syntheses and Structures of I-, I3-, and SCN-Salts","Crystal Growth & Design","2006","6","1","258","","10.1021/cg050303a","","","0.71073","MoKα","","0.1183","0.0532","","","0.0801","0.093","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504565","8.8864","0.0019","10.103","0.002","13.598","0.003","79.331","0.003","78.375","0.003","64.249","0.003","1070.4","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H26 I3 N3 -","- C15 H26 I3 N3 -","- C30 H52 I6 N6 -","2","1","","Said, Farouq F.; Bazinet, Patrick; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin S.","Hydrogen Bonding Motifs ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Cations with Spherical and Rodlike Monoanions: Syntheses and Structures of I-, I3-, and SCN-Salts","Crystal Growth & Design","2006","6","1","258","","10.1021/cg050303a","","","0.71073","MoKα","","0.0699","0.0402","","","0.0831","0.094","","","","","","1.002","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504566","7.9","0.006","5.429","0.004","26.8","0.02","90","","90","","90","","1149.4","1.5","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Glaser, Rainer; Knotts, Nathan; Wu, Zhengyu; Barnes, Charles L.","Dipole Parallel-Alignment in the Crystal Structure of a Polar Biphenyl: 4'-Acetyl-4-Methoxybiphenyl (AMB).","Crystal growth & design","2006","6","1","235","240","10.1021/cg050316o","","","0.71073","MoKα","","0.1062","0.0464","","","0.1121","0.1447","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504567","7.309","0.002","15.18","0.003","27.115","0.004","90","","90","","90","","3008.4","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","246-DMT","1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,3,5,6-tetramethoxybenzene","","- C32 H38 O10 -","- C32 H38 O10 -","- C128 H152 O40 -","4","0.5","","Vande Velde, Christophe M. L.; Geise, Herman J.; Blockhuys, Frank","The Precarious Equilibrium between Different Types of Weak Hydrogen Bonds in Methoxy-Substituted Distyrylbenzenes: The Hybrid Network inE,E-1,4-Bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,3,5,6-tetramethoxybenzene","Crystal Growth & Design","2006","6","1","241","","10.1021/cg050317g","","","0.71073","MoKα","","0.1403","0.0457","","","0.0996","0.1307","","","","","","0.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504568","12.79","0.005","12.802","0.005","14.324","0.006","110.687","0.007","111.86","0.006","97.688","0.007","1939","1.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H108 O18 Sn6 -","- C78 H108 O18 Sn6 -","- C78 H108 O18 Sn6 -","1","0.5","","Chandrasekhar, Vadapalli; Gopal, Kandasamy; Nagendran, Selvarajan; Steiner, Alexander; Zacchini, Stefano","Influence of Aromatic Substituents on the Supramolecular Architectures of Monoorganooxotin Drums","Crystal Growth & Design","2006","6","1","267","","10.1021/cg050323c","","","0.71073","MoKα","","0.0523","0.0446","","","0.1093","0.1205","","","","","","1.046","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504569","16.11","0.0017","11.2664","0.0012","22.842","0.003","90","","99.925","0.002","90","","4083.8","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H100 Cl4 O18 Sn6 -","- C74 H100 Cl4 O18 Sn6 -","- C148 H200 Cl8 O36 Sn12 -","2","0.5","","Chandrasekhar, Vadapalli; Gopal, Kandasamy; Nagendran, Selvarajan; Steiner, Alexander; Zacchini, Stefano","Influence of Aromatic Substituents on the Supramolecular Architectures of Monoorganooxotin Drums","Crystal Growth & Design","2006","6","1","267","","10.1021/cg050323c","","","0.71073","MoKα","","0.084","0.0479","","","0.1016","0.1146","","","","","","0.989","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504570","10.839","0.002","14.138","0.002","14.616","0.003","93","0.02","105.18","0.02","100.58","0.02","2112.9","0.7","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H102 N10 O18 Sn6 -","- C74 H102 N10 O18 Sn6 -","- C74 H102 N10 O18 Sn6 -","1","0.5","","Chandrasekhar, Vadapalli; Gopal, Kandasamy; Nagendran, Selvarajan; Steiner, Alexander; Zacchini, Stefano","Influence of Aromatic Substituents on the Supramolecular Architectures of Monoorganooxotin Drums","Crystal Growth & Design","2006","6","1","267","","10.1021/cg050323c","","","0.71073","MoKα","","0.0312","0.0268","","","0.0691","0.0709","","","","","","1.051","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504571","32.336","0.003","32.336","0.003","15.235","0.002","90","","90","","90","","15930","3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C67 H91 Cl3 N6 O18 Sn6 -","- C67 H91 Cl3 N6 O18 Sn6 -","- C536 H728 Cl24 N48 O144 Sn48 -","8","0.5","","Chandrasekhar, Vadapalli; Gopal, Kandasamy; Nagendran, Selvarajan; Steiner, Alexander; Zacchini, Stefano","Influence of Aromatic Substituents on the Supramolecular Architectures of Monoorganooxotin Drums","Crystal Growth & Design","2006","6","1","267","","10.1021/cg050323c","","","0.71073","MoKα","","0.0664","0.0433","","","0.1123","0.1254","","","","","","1.009","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504572","12.55","0.003","10.257","0.002","18.015","0.004","90","","109.09","0.03","90","","2191.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Cd3 N0 O20 -","- C12 H22 Cd3 O20 -","- C48 H88 Cd12 O80 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Versatile Framework Solids Constructed from Divalent Transition Metals and Citric Acid: Syntheses, Crystal Structures, and Thermal Behaviors","Crystal Growth & Design","2006","6","2","375","","10.1021/cg0503245","","","0.71073","MoKα","","0.0264","0.0206","","","0.0462","0.0477","","","","","","1.004","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504573","6.0984","0.0007","15.2922","0.0017","9.786","0.0011","90","","102.774","0.002","90","","890.03","0.17","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cd3 O16 -","- C12 H14 Cd3 O16 -","- C24 H28 Cd6 O32 -","2","0.5","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Versatile Framework Solids Constructed from Divalent Transition Metals and Citric Acid: Syntheses, Crystal Structures, and Thermal Behaviors","Crystal Growth & Design","2006","6","2","375","","10.1021/cg0503245","","","0.71073","MoKα","","0.024","0.0215","","","0.0493","0.0499","","","","","","1.222","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504574","6.1705","0.0012","14.546","0.003","9.5595","0.0019","90","","102.63","0.03","90","","837.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O16 Zn3 -","- C12 H14 O16 Zn3 -","- C24 H28 O32 Zn6 -","2","0.5","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Versatile Framework Solids Constructed from Divalent Transition Metals and Citric Acid: Syntheses, Crystal Structures, and Thermal Behaviors","Crystal Growth & Design","2006","6","2","375","","10.1021/cg0503245","","","0.71073","MoKα","","0.0262","0.0232","","","0.0604","0.0616","","","","","","1.07","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504575","6.9285","0.001","9.7619","0.0014","14.537","0.002","90","","91.377","0.002","90","","982.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cu2 O9 -","- C6 H8 Cu2 O9 -","- C24 H32 Cu8 O36 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Versatile Framework Solids Constructed from Divalent Transition Metals and Citric Acid: Syntheses, Crystal Structures, and Thermal Behaviors","Crystal Growth & Design","2006","6","2","375","","10.1021/cg0503245","","","0.71073","MoKα","","0.0424","0.0361","","","0.083","0.0868","","","","","","1.042","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504576","5.916","0.0009","10.4229","0.0015","13.453","0.002","90","","90","","90","","829.5","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Co O8 -","- C6 H8 Co O8 -","- C24 H32 Co4 O32 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Versatile Framework Solids Constructed from Divalent Transition Metals and Citric Acid: Syntheses, Crystal Structures, and Thermal Behaviors","Crystal Growth & Design","2006","6","2","375","","10.1021/cg0503245","","","0.71073","MoKα","","0.0321","0.0269","","","0.0605","0.0628","","","","","","1.07","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504577","10.634","0.002","11.958","0.002","19.734","0.004","90","","90","","90","","2509.4","0.8","170","1","170","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N2 O7.25 -","- C27 H28 N2 O7.15 -","- C108 H112 N8 O28.6 -","4","1","","Kalisiak, Jarosław; Jurczak, Janusz","Asymmetric Crystallization of an Achiral Lariat-type Macrocyclic Compound","Crystal Growth & Design","2006","6","1","20","","10.1021/cg050325x","","","0.71073","MoKα","","0.0918","0.0509","","","0.1314","0.1515","","","","","","0.87","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504578","10.64","0.002","10.691","0.002","14.494","0.003","103.37","0.03","99.88","0.03","115.51","0.03","1376.9","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H44 Ce2 I Mo6 N5 O47 -","- C24 H20 Ce2 I Mo6 N5 O47 -","- C24 H20 Ce2 I Mo6 N5 O47 -","1","0.5","","An, Haiyan; Li, Yangguang; Xiao, Dongrong; Wang, Enbo; Sun, Chunyan","Self-Assembly of Extended High-Dimensional Architectures from Anderson-type Polyoxometalate Clusters","Crystal Growth & Design","2006","6","5","1107","","10.1021/cg050326p","","","0.71073","MoKα","","0.0311","0.0287","","","0.0932","0.0949","","","","","","1.018","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504579","10.544","0.002","10.677","0.002","14.528","0.003","103.72","0.03","99.96","0.03","115.21","0.03","1365.9","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H44 I La2 Mo6 N5 O47 -","- C24 H20 I La2 Mo6 N5 O47 -","- C24 H20 I La2 Mo6 N5 O47 -","1","0.5","","An, Haiyan; Li, Yangguang; Xiao, Dongrong; Wang, Enbo; Sun, Chunyan","Self-Assembly of Extended High-Dimensional Architectures from Anderson-type Polyoxometalate Clusters","Crystal Growth & Design","2006","6","5","1107","","10.1021/cg050326p","","","0.71073","MoKα","","0.0426","0.0352","","","0.0917","0.0954","","","","","","1.027","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504580","6.2052","0.0012","14.185","0.003","15.077","0.003","90.68","0.03","90.08","0.03","93.82","0.03","1324","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Ag3 Cr H20 Mo6 O31 -","- Ag3 Cr Mo6 O31 -","- Ag6 Cr2 Mo12 O62 -","2","1","","An, Haiyan; Li, Yangguang; Xiao, Dongrong; Wang, Enbo; Sun, Chunyan","Self-Assembly of Extended High-Dimensional Architectures from Anderson-type Polyoxometalate Clusters","Crystal Growth & Design","2006","6","5","1107","","10.1021/cg050326p","","","0.71073","MoKα","","0.0915","0.063","","","0.1615","0.1809","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504581","14.0965","0.0012","16.353","0.0014","10.438","0.0009","90","","95.569","0.002","90","","2394.8","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cd F5 N4 Nb O -","- C20 H20 Cd F5 N4 Nb O -","- C80 H80 Cd4 F20 N16 Nb4 O4 -","4","1","","Guillory, Paulette C. R.; Kirsch, Janet E.; Izumi, Heather K.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","Evidence for Nonpolar Alignment of [NbOF5]2-Anions in Cd(pyridine)4NbOF5Chains","Crystal Growth & Design","2006","6","2","382","","10.1021/cg050331t","","","0.71073","MoKα","","0.0668","0.0396","","","0.0922","0.1002","","","","","","1.003","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504582","13.3524","0.0019","12.1332","0.0017","16.359","0.002","90","","91.376","0.002","90","","2649.5","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H44 Cd2 N12 O4 -","- C62 H44 Cd2 N12 O4 -","- C124 H88 Cd4 N24 O8 -","2","0.5","","Liu, Chun-Sen; Shi, Xue-Song; Li, Jian-Rong; Wang, Jun-Jie; Bu, Xian-He","Cd(II) Coordination Architectures with Mixed Ligands of 3-(2-Pyridyl)pyrazole and Pendant Carboxylate Ligands Bearing Different Aromatic Skeletons: Syntheses, Crystal Structures, and Emission Properties","Crystal Growth & Design","2006","6","3","656","","10.1021/cg050336q","","","0.71073","MoKα","","0.0506","0.029","","","0.061","0.0664","","","","","","1.014","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504583","16.2344","0.0002","16.2344","0.0002","12.2612","0.0002","90","","90","","90","","3231.51","0.08","356","2","356","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C104 H10 F20 N4 -","- C104 H10 F20 N4 -","- C208 H20 F40 N8 -","2","0.25","","Hosseini, Ali; Hodgson, Michael C.; Tham, Fook S.; Reed, Christopher A.; Boyd, Peter D. W.","Tapes, Sheets, and Prisms. Identification of the Weak C−F Interactions that Steer Fullerene−Porphyrin Cocrystallization","Crystal Growth & Design","2006","6","2","397","","10.1021/cg050352n","","","0.71073","MoKα","","0.0682","0.0527","","","0.1431","0.1553","","","","","","1.085","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504584","7.1644","0.0001","24.8612","0.0004","16.7746","0.0003","90","0.001","107.401","0.001","90","0.001","2851.08","0.08","87","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C136 H60 F40 N8 -","- C136 H60 F40 N8 -","- C136 H60 F40 N8 -","1","0.25","","Hosseini, Ali; Hodgson, Michael C.; Tham, Fook S.; Reed, Christopher A.; Boyd, Peter D. W.","Tapes, Sheets, and Prisms. Identification of the Weak C−F Interactions that Steer Fullerene−Porphyrin Cocrystallization","Crystal Growth & Design","2006","6","2","397","","10.1021/cg050352n","","","0.71073","MoKα","","0.096","0.0713","","","0.1872","0.2026","","","","","","1.035","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504585","28.7056","0.0003","28.7056","0.0003","12.3929","0.0001","90","","90","","90","","10211.9","0.17","87","","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C152 H56 F20 N4 -","- C152 H56 F20 N4 -","- C608 H224 F80 N16 -","4","0.25","","Hosseini, Ali; Hodgson, Michael C.; Tham, Fook S.; Reed, Christopher A.; Boyd, Peter D. W.","Tapes, Sheets, and Prisms. Identification of the Weak C−F Interactions that Steer Fullerene−Porphyrin Cocrystallization","Crystal Growth & Design","2006","6","2","397","","10.1021/cg050352n","","","0.71073","MoKα","","0.1717","0.0742","","","0.1178","0.1474","","","","","","1.053","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504586","20.9965","0.0004","20.9965","0.0004","14.7377","0.0006","90","","90","","120","","5626.7","0.3","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C168 H63 F30 N6 -","- C167.4 H63 F30 N6 -","- C334.8 H126 F60 N12 -","2","0.333333","","Hosseini, Ali; Hodgson, Michael C.; Tham, Fook S.; Reed, Christopher A.; Boyd, Peter D. W.","Tapes, Sheets, and Prisms. Identification of the Weak C−F Interactions that Steer Fullerene−Porphyrin Cocrystallization","Crystal Growth & Design","2006","6","2","397","","10.1021/cg050352n","","","0.71073","MoKα","","0.0811","0.0611","","","0.1694","0.1895","","","","","","1.075","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504587","7.1584","0.0014","8.164","0.0016","9.3954","0.0019","90","","102.97","0.03","90","","535.07","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-amino-1,2,4-triazole hydrochloride","","","- C2 H5 Cl N4 -","- C2 H5 Cl N4 -","- C8 H20 Cl4 N16 -","4","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71073","MoKα","","0.0599","0.0404","","","0.0831","0.0888","","","","","","1.061","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504588","9.3559","0.0019","4.9432","0.001","12.182","0.002","90","","97.76","0.03","90","","558.23","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-aminoimidazole hydrochloride","","","- C3 H6 Cl N3 -","- C3 H6 Cl N3 -","- C12 H24 Cl4 N12 -","4","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71073","MoKα","","0.0686","0.0465","","","0.0963","0.1042","","","","","","1.097","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504589","5.099","0.001","7.2298","0.0014","15.042","0.003","90","","96.52","0.03","90","","550.93","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-amino-1,2,4-triazole hydrochloride","","","- C2 H5 Cl N4 -","- C2 H5 Cl N4 -","- C8 H20 Cl4 N16 -","4","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71073","MoKα","","0.0795","0.0536","","","0.1201","0.1311","","","","","","1.105","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504590","5.5395","0.0012","13.402","0.003","7.715","0.001","90","0.005","90","0.005","90","0.005","572.76","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,3-diamino-1,2,3-triazolium chloride","","","- C2 H6 Cl N5 -","- C2 H6 Cl N5 -","- C8 H24 Cl4 N20 -","4","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71069","MoKα","","0.0804","0.0544","","","0.0898","0.0968","","","","","","1.052","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504591","5.6109","0.0005","6.778","0.0009","16.3497","0.0005","90","","90","","90","","621.79","0.1","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,4-diamino-1,2,4-triazolium chloride","","","- C2 H6 Cl N5 -","- C2 H6 Cl N5 -","- C8 H24 Cl4 N20 -","4","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71073","MoKα","","0.027","0.0242","","","0.0612","0.063","","","","","","1.099","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504592","4.6613","0.0002","16.2967","0.0004","7.8232","0.0005","90","","98.524","0.003","90","","587.72","0.05","233","2","233","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,3-diaminoimidazolium chloride","","","- C3 H7 Cl N4 -","- C3 H7 Cl N4 -","- C12 H28 Cl4 N16 -","4","0.5","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71073","MoKα","","0.0253","0.0242","","","0.0607","0.0619","","","","","","1.085","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504593","5.0579","0.0003","7.0018","0.0003","7.647","0.0005","90","","91.716","0.003","90","","270.69","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-amino-1,2,3-triazole hydrochloride","","","- C2 H5 Cl N4 -","- C2 H5 Cl N4 -","- C4 H10 Cl2 N8 -","2","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71073","MoKα","","0.021","0.0203","","","0.0527","0.0532","","","","","","1.111","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504594","6.6548","0.0014","11.695","0.002","8.146","0.003","90","","91.32","0.003","90","","633.8","0.3","173","2","173","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C10 H10 Cl4 N2 Pt -","- C10 H10 Cl4 N2 Pt -","- C20 H20 Cl8 N4 Pt2 -","2","0.25","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0289","0.0289","","","0.0657","0.0657","","","","","","1.083","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504595","6.811","0.0014","7.7102","0.0018","7.83","0.0016","96.32","0.02","110.098","0.016","105.81","0.013","361.98","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cl4 N2 Pt -","- C12 H12 Cl4 N2 Pt -","- C12 H12 Cl4 N2 Pt -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0242","0.0242","","","0.06","0.06","","","","","","1.068","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4504596","7.0701","0.0011","7.5429","0.0012","8.0694","0.0012","95.4","0.002","112.432","0.002","107.745","0.002","367.87","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl4 N2 Pt -","- C12 H14 Cl4 N2 Pt -","- C12 H14 Cl4 N2 Pt -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0201","0.0201","","","0.0459","0.0459","","","","","","1.031","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504597","5.9922","0.0011","10.766","0.003","11.601","0.002","90","","95.545","0.012","90","","744.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cl4 N2 Pt -","- C10 H22 Cl4 N2 Pt -","- C20 H44 Cl8 N4 Pt2 -","2","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0216","0.0176","","","0.0461","0.0476","","","","","","1.115","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504598","12.0729","0.0024","8.6976","0.0028","10.151","0.0025","90","","90","","90","","1065.9","0.5","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C4 H12 Cl4 N2 Pt -","- C4 H12 Cl4 N2 Pt -","- C16 H48 Cl16 N8 Pt4 -","4","","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0206","0.016","","","0.0384","0.0389","","","","","","0.994","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504599","6.9551","0.0013","8.5188","0.0012","8.9795","0.001","86.462","0.013","73.017","0.009","66.472","0.01","465.61","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cl4 N2 O6 Pt -","- C12 H16 Cl4 N2 O6 Pt -","- C12 H16 Cl4 N2 O6 Pt -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.019","0.019","","","0.0426","0.0426","","","","","","0.988","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504600","7.1544","0.0014","7.5492","0.0015","8.2906","0.0017","90.43","0.03","114.88","0.03","92.75","0.03","405.56","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl4 N2 O4 Pt -","- C12 H10 Cl4 N2 O4 Pt -","- C12 H10 Cl4 N2 O4 Pt -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0195","0.0195","","","0.0463","0.0463","","","","","","1.044","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504601","6.8888","0.0013","7.7068","0.0018","8.2032","0.0015","88.779","0.015","72.911","0.019","89.466","0.019","416.19","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cl4 N4 O2 Pt -","- C12 H14 Cl4 N4 O2 Pt -","- C12 H14 Cl4 N4 O2 Pt -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0179","0.0179","","","0.0472","0.0472","","","","","","1.049","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504602","6.9952","0.0031","7.3278","0.0018","8.6578","0.0051","71.87","0.0459","88.967","0.0413","87.604","0.0444","421.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cl4 N4 O2 Pt -","- C12 H14 Cl4 N4 O2 Pt -","- C12 H14 Cl4 N4 O2 Pt -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0202","0.0202","","","0.0462","0.0462","","","","","","1.027","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504603","13.2401","0.0011","7.4465","0.0006","9.8181","0.0008","90","","104.52","0.002","90","","937.07","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cl4 N2 O4 Pt -","- C12 H22 Cl4 N2 O4 Pt -","- C24 H44 Cl8 N4 O8 Pt2 -","2","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0514","0.0407","","","0.112","0.1133","","","","","","0.924","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4504604","13.2172","0.0018","7.2479","0.0008","9.7083","0.002","90","","97.416","0.017","90","","922.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl4 N2 O4 Pt -","- C12 H24 Cl4 N2 O4 Pt -","- C24 H48 Cl8 N4 O8 Pt2 -","2","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0213","0.0172","","","0.0404","0.041","","","","","","0.962","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504605","7.0204","0.0019","7.4522","0.0014","15.213","0.0055","90","","90","","90","","795.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl N O2 -","- C6 H12 Cl N O2 -","- C24 H48 Cl4 N4 O8 -","4","1","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0477","0.0338","","","0.0729","0.0775","","","","","","1.019","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504606","12.936","0.0013","7.045","0.0007","14.8136","0.0016","90","","92.112","0.002","90","","1349.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 N2 O4 -","- C12 H12 Cl2 N2 O4 -","- C48 H48 Cl8 N8 O16 -","4","1","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0599","0.0407","","","0.1126","0.1189","","","","","","0.93","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504607","6.9948","0.0012","7.0324","0.0012","8.2883","0.0014","69.202","0.003","74.361","0.003","77.599","0.003","363.8","0.11","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cl4 N2 Pd -","- C12 H12 Cl4 N2 Pd -","- C12 H12 Cl4 N2 Pd -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0304","0.0253","","","0.0555","0.0565","","","","","","0.962","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504608","5.9658","0.0012","10.7111","0.0017","11.6778","0.0031","90","","95.736","0.017","90","","742.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cl4 N2 Pd -","- C10 H22 Cl4 N2 Pd -","- C20 H44 Cl8 N4 Pd2 -","2","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0242","0.0212","","","0.0558","0.0571","","","","","","1.063","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504609","10.265","0.0009","7.5468","0.0007","9.9279","0.0009","90","","101.147","0.002","90","","754.58","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Cl4 N2 Pd -","- C10 H22 Cl4 N2 Pd -","- C20 H44 Cl8 N4 Pd2 -","2","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0199","0.0178","","","0.0425","0.0428","","","","","","0.951","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504610","11.166","0.002","7.3022","0.0015","9.531","0.002","90","","91.885","0.004","90","","776.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Cl4 N2 Pd -","- C10 H22 Cl4 N2 Pd -","- C20 H44 Cl8 N4 Pd2 -","2","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0322","0.0284","","","0.0752","0.0776","","","","","","1.062","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504611","8.5472","0.001","7.0726","0.0008","10.9161","0.0012","90","","111.502","0.002","90","","613.96","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Cl4 N2 O2 Pd -","- C4 H16 Cl4 N2 O2 Pd -","- C8 H32 Cl8 N4 O4 Pd2 -","2","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0189","0.0171","","","0.0439","0.0447","","","","","","1.051","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504612","6.9942","0.0017","8.5052","0.0017","8.9252","0.0012","85.754","0.018","73.059","0.023","66.135","0.014","463.89","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cl4 N2 O6 Pd -","- C12 H16 Cl4 N2 O6 Pd -","- C12 H16 Cl4 N2 O6 Pd -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0247","0.0223","","","0.0575","0.0587","","","","","","1.074","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504613","14.787","0.004","14.787","0.004","31.231","0.011","90","","90","","120","","5914","3","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C4 H5 Ni O4.33 -","- C4 H5 Ni O4.33333 -","- C144 H180 Ni36 O156 -","36","1","","Chen, Jinxi; Ohba, Masaaki; Zhao, Dongyuan; Kaneko, Wakako; Kitagawa, Susumu","Polynuclear Core-Based Nickel 1,4-Cyclohexanedicarboxylate Coordination Polymers as Temperature-Dependent Hydrothermal Reaction Products","Crystal Growth & Design","2006","6","3","664","","10.1021/cg050363g","","","0.71073","MoKα","","0.0493","0.0436","","","0.1037","0.1063","","","","","","1.176","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504614","20.0967","0.001","9.9992","0.0005","6.3722","0.0004","90","","97.086","0.003","90","","1270.72","0.12","243","2","243","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C4 H5 Ni0.75 O4.5 -","- C4 H5 Ni0.75 O4.5 -","- C32 H40 Ni6 O36 -","8","1","","Chen, Jinxi; Ohba, Masaaki; Zhao, Dongyuan; Kaneko, Wakako; Kitagawa, Susumu","Polynuclear Core-Based Nickel 1,4-Cyclohexanedicarboxylate Coordination Polymers as Temperature-Dependent Hydrothermal Reaction Products","Crystal Growth & Design","2006","6","3","664","","10.1021/cg050363g","","","0.7107","MoKα","","0.0413","0.0408","","","0.1154","0.116","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504615","4.9139","0.0011","6.2914","0.0015","9.589","0.002","79.652","0.009","78.857","0.011","77.044","0.009","280.56","0.11","243","2","243","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H9 Ni0.5 O4 -","- C4 H9 Ni0.5 O4 -","- C8 H18 Ni O8 -","2","1","","Chen, Jinxi; Ohba, Masaaki; Zhao, Dongyuan; Kaneko, Wakako; Kitagawa, Susumu","Polynuclear Core-Based Nickel 1,4-Cyclohexanedicarboxylate Coordination Polymers as Temperature-Dependent Hydrothermal Reaction Products","Crystal Growth & Design","2006","6","3","664","","10.1021/cg050363g","","","0.7107","MoKα","","0.031","0.031","","","0.0895","0.0895","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504616","12.7461","0.0004","14.0896","0.0005","23.8855","0.0009","90","","95.721","0.001","90","","4268.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dibromobis(6,7-dicyanodipyridoquinoxaline)(benzene-1,3-dicarboxylate-2,4-carboxylic acid)dicopper(II) methanol solvate","","- C43.7 H22.8 Br2 Cu2 N12 O9.7 -","- C43.7 H22.8 Br2 Cu2 N12 O9.7 -","- C174.8 H91.2 Br8 Cu8 N48 O38.8 -","4","1","","Stephenson, Maria D.; Hardie, Michaele J.","Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions","Crystal Growth & Design","2006","6","2","423","","10.1021/cg050366t","","","0.71073","MoKα","","0.0949","0.0666","","","0.1667","0.1888","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504617","7.2358","0.0014","13.838","0.003","16.15","0.003","90","","99.127","0.009","90","","1596.6","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibromo(6,7-dicyanodipyridoquinoxaline)copper(II)","","- C16 H6 Br2 Cu N6 -","- C16 H6 Br2 Cu N6 -","- C64 H24 Br8 Cu4 N24 -","4","1","","Stephenson, Maria D.; Hardie, Michaele J.","Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions","Crystal Growth & Design","2006","6","2","423","","10.1021/cg050366t","","","0.71073","MoKα","","0.0912","0.0481","","","0.105","0.1221","","","","","","0.995","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504618","20.006","0.004","13.969","0.003","21.922","0.004","90","","110.71","0.03","90","","5731","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris(6,7-dicyanodipyridoquinoxaline)nickel(II) bromide hydrate","","- C48 H24 Br2 N18 Ni O3 -","- C48 H18 Br2 N18 Ni O3 -","- C192 H72 Br8 N72 Ni4 O12 -","4","1","","Stephenson, Maria D.; Hardie, Michaele J.","Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions","Crystal Growth & Design","2006","6","2","423","","10.1021/cg050366t","","","0.71073","MoKα","","0.1348","0.1186","","","0.3419","0.369","","","","","","1.503","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504619","8.4282","0.0002","12.8044","0.0002","27.6508","0.0006","90","","97.939","0.001","90","","2955.42","0.11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(6,7-dicyanodipyridoquinoxaline)cobalt(II) bromide","","- C32 H12 Br2 Co N12 -","- C32 H12 Br2 Co N12 -","- C128 H48 Br8 Co4 N48 -","4","0.5","","Stephenson, Maria D.; Hardie, Michaele J.","Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions","Crystal Growth & Design","2006","6","2","423","","10.1021/cg050366t","","","0.71073","MoKα","","0.0716","0.0428","","","0.1001","0.1299","","","","","","1.091","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504620","22.9779","0.0003","11.8038","0.0002","24.2001","0.0003","90","","96.12","","90","","6526.3","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","dibromobis(6,7-dicyanodipyridoquinoxaline)copper(II) bromobis(6,7-dicyanodipyridoquinoxaline)copper(II) bromide hydrate acetonitrile solvate","","- C66 H31 Br4 Cu2 N25 O2 -","- C66 H27 Br4 Cu2 N25 O2 -","- C264 H108 Br16 Cu8 N100 O8 -","4","1","","Stephenson, Maria D.; Hardie, Michaele J.","Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions","Crystal Growth & Design","2006","6","2","423","","10.1021/cg050366t","","","0.71073","MoKα","","0.112","0.0792","","","0.2177","0.249","","","","","","1.07","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504621","9.112","0.0001","19.807","0.0003","18.39","0.0004","90","","105.99","0.001","90","","3190.64","0.09","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(6,7-dicyanodipyridoquinoxaline)silver(I) triflate","","- C33 H12 Ag F3 N12 O3 S -","- C33 H12 Ag F3 N12 O3 S -","- C132 H48 Ag4 F12 N48 O12 S4 -","4","1","","Stephenson, Maria D.; Hardie, Michaele J.","Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions","Crystal Growth & Design","2006","6","2","423","","10.1021/cg050366t","","","0.71073","MoKα","","0.0605","0.0419","","","0.1161","0.1313","","","","","","1.056","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504622","10.2233","0.0007","11.4655","0.0008","12.3312","0.0008","93.43","0.01","96.67","0.01","95.08","0.01","1426.39","0.17","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 Cd N O14 -","- C27 H34 Cd N O14 -","- C54 H68 Cd2 N2 O28 -","2","1","","Neogi, Subhadip; Bharadwaj, Parimal K.","Metal−Organic Framework Structures of Cd(II) Built with Two Closely Related Podands That Are Further Stabilized by Water Clusters","Crystal Growth & Design","2006","6","2","433","","10.1021/cg0503752","","","0.71073","MoKα","","0.0778","0.0741","","","0.1636","0.1675","","","","","","1.322","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504623","16.7519","0.0013","18.5679","0.0014","21.6105","0.0016","90","","107.36","0.1","90","","6416","4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H82 Cd2 N2 O34 -","- C54 H80 Cd2 N2 O34 -","- C216 H320 Cd8 N8 O136 -","4","1","","Neogi, Subhadip; Bharadwaj, Parimal K.","Metal−Organic Framework Structures of Cd(II) Built with Two Closely Related Podands That Are Further Stabilized by Water Clusters","Crystal Growth & Design","2006","6","2","433","","10.1021/cg0503752","","","0.71073","MoKα","","0.0378","0.0339","","","0.0861","0.0883","","","","","","1.04","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504624","10.556","0.002","10.704","0.002","13.184","0.003","103.5","0.03","108.82","0.03","100.97","0.03","1312.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N2 O14 -","- C26 H28 Co N2 O14 -","- C52 H56 Co2 N4 O28 -","2","1","","Wang, Xin-Long; Qin, Chao; Wang, En-Bo","Polythreading of Infinite 1D Chains into Different Structural Motifs: Two Poly(pseudo-rotaxane) Architectures Constructed by Concomitant Coordinative and Hydrogen Bonds","Crystal Growth & Design","2006","6","2","439","","10.1021/cg050376u","","","0.71073","MoKα","","0.0741","0.0475","","","0.1083","0.1194","","","","","","1.052","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504625","19.92","0.004","11.256","0.002","15.487","0.003","90","","94.77","0.03","90","","3460.5","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N2 Ni O9 -","- C15 H19 N2 Ni O9 -","- C120 H152 N16 Ni8 O72 -","8","1","","Wang, Xin-Long; Qin, Chao; Wang, En-Bo","Polythreading of Infinite 1D Chains into Different Structural Motifs: Two Poly(pseudo-rotaxane) Architectures Constructed by Concomitant Coordinative and Hydrogen Bonds","Crystal Growth & Design","2006","6","2","439","","10.1021/cg050376u","","","0.71073","MoKα","","0.0662","0.0546","","","0.1318","0.138","","","","","","1.098","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504626","12.236","0.008","6.2011","0.0018","14.155","0.005","90","","111.19","0.04","90","","1001.4","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H18 N4 O12 Zn -","- C15 H14 N4 O12 Zn -","- C30 H28 N8 O24 Zn2 -","2","0.5","","Wu, A-Qing; Li, Yan; Zheng, Fa-Kun; Guo,; Huang, Jin-Shun","Different Molecular Frameworks of Zinc(II) and Cadmium(II) Coordination Polymers Constructed by Flexible Double Betaine Ligands","Crystal Growth & Design","2006","6","2","444","","10.1021/cg050378e","","","0.71073","MoKα","","0.0453","0.0413","","","0.1124","0.1281","","","","","","1.038","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504627","13.5979","0.0015","8.1208","0.0005","18.1611","0.0019","90","","111.895","0.005","90","","1860.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cd N4 O11 -","- C15 H16 Cd N4 O11 -","- C60 H64 Cd4 N16 O44 -","4","1","","Wu, A-Qing; Li, Yan; Zheng, Fa-Kun; Guo,; Huang, Jin-Shun","Different Molecular Frameworks of Zinc(II) and Cadmium(II) Coordination Polymers Constructed by Flexible Double Betaine Ligands","Crystal Growth & Design","2006","6","2","444","","10.1021/cg050378e","","","0.71073","MoKα","","0.021","0.0197","","","0.0503","0.0511","","","","","","1.066","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504628","18.6008","0.0011","62.936","0.004","7.5918","0.0005","90","","90","","90","","8887.4","1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H24 N4 O13 Zn -","- C17 H18 N4 O13 Zn -","- C272 H288 N64 O208 Zn16 -","16","1","","Wu, A-Qing; Li, Yan; Zheng, Fa-Kun; Guo,; Huang, Jin-Shun","Different Molecular Frameworks of Zinc(II) and Cadmium(II) Coordination Polymers Constructed by Flexible Double Betaine Ligands","Crystal Growth & Design","2006","6","2","444","","10.1021/cg050378e","","","0.71073","MoKα","","0.0509","0.047","","","0.1229","0.1263","","","","","","1.048","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504629","15.721","0.004","4.7898","0.0011","31.371","0.007","90","","90.439","0.003","90","","2362.2","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Cd N4 O14 -","- C17 H18 Cd N4 O14 -","- C68 H72 Cd4 N16 O56 -","4","1","","Wu, A-Qing; Li, Yan; Zheng, Fa-Kun; Guo,; Huang, Jin-Shun","Different Molecular Frameworks of Zinc(II) and Cadmium(II) Coordination Polymers Constructed by Flexible Double Betaine Ligands","Crystal Growth & Design","2006","6","2","444","","10.1021/cg050378e","","","0.71073","MoKα","","0.0424","0.0398","","","0.1037","0.1057","","","","","","1.053","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504630","17.353","0.005","7.0076","0.0019","21.571","0.006","90","","95.87","0.004","90","","2609.3","1.3","130.15","","130.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N4 O15 Zn -","- C20 H16 N4 O14.999 Zn1.00265 -","- C80 H64 N16 O59.996 Zn4.0106 -","4","1","","Wu, A-Qing; Li, Yan; Zheng, Fa-Kun; Guo,; Huang, Jin-Shun","Different Molecular Frameworks of Zinc(II) and Cadmium(II) Coordination Polymers Constructed by Flexible Double Betaine Ligands","Crystal Growth & Design","2006","6","2","444","","10.1021/cg050378e","","","0.71073","MoKα","","0.0936","0.0683","","","0.1742","0.1921","","","","","","1.009","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504631","11.855","0.002","12.3","0.003","21.329","0.004","79.08","0.03","80.31","0.03","86.55","0.03","3008.9","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H86 Mo6 N4 O19 -","- C46 H86 Mo6 N4 O19 -","- C92 H172 Mo12 N8 O38 -","2","1","","Xia, Yun; Wu, Pingfan; Wei, Yongge; Wang, Yuan; Guo, Hongyou","Synthesis, Crystal Structure, and Optical Properties of a Polyoxometalate-Based Inorganic−Organic Hybrid Solid, (n-Bu4N)2[Mo6O17(≡NAr)2] (Ar =o-CH3OC6H4)","Crystal Growth & Design","2006","6","1","253","","10.1021/cg0503797","","","0.71073","MoKα","","0.0505","0.0369","","","0.0853","0.092","","","","","","1.012","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504632","10.1","0.002","13.663","0.003","14.611","0.003","90","","91","0.03","90","","2016","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-dimethylammonium,8-dimethylaminonaphthalene violurate methanol solvate","","- C19 H25 N5 O5 -","- C19 H25 N5 O5 -","- C76 H100 N20 O20 -","4","1","","Nichol, Gary S.; Clegg, William","The Importance of Weak C−H···O Bonds and π···π Stacking Interactions in the Formation of Organic 1,8-Bis(dimethylamino)naphthalene Complexes withZ‘ > 1","Crystal Growth & Design","2006","6","2","451","","10.1021/cg0503806","","","0.71073","MoKα","","0.0618","0.0385","","","0.086","0.0967","","","","","","1.03","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504633","11.793","0.002","14.279","0.002","15.905","0.004","105.711","0.004","105.035","0.004","104.019","0.003","2345.1","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-dimethylammonium,8-dimethylaminonaphthalene cyanurate cyanuric acid dihydrate","","- C20 H28 N8 O8 -","- C20 H28 N8 O8 -","- C80 H112 N32 O32 -","4","2","","Nichol, Gary S.; Clegg, William","The Importance of Weak C−H···O Bonds and π···π Stacking Interactions in the Formation of Organic 1,8-Bis(dimethylamino)naphthalene Complexes withZ‘ > 1","Crystal Growth & Design","2006","6","2","451","","10.1021/cg0503806","","","0.6751","synchrotron","","0.1381","0.0578","","","0.1228","0.1564","","","","","","0.94","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504634","11.441","0.0013","24.191","0.003","27.218","0.003","90","","91.367","0.0016","90","","7531","1.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-dimethylammonium,8-dimethylaminonaphthalene barbiturate methanol trisolvate","","- C75 H100 N16 O15 -","- C75 H100 N16 O15 -","- C300 H400 N64 O60 -","4","1","","Nichol, Gary S.; Clegg, William","The Importance of Weak C−H···O Bonds and π···π Stacking Interactions in the Formation of Organic 1,8-Bis(dimethylamino)naphthalene Complexes withZ‘ > 1","Crystal Growth & Design","2006","6","2","451","","10.1021/cg0503806","","","0.6751","synchrotron","","0.0772","0.0578","","","0.1444","0.1558","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504635","25.641","0.007","11.581","0.002","27.303","0.008","90","","106.598","0.016","90","","7770","3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-dimethylammonium,8-dimethylaminonaphthalene ororate","","- C19 H22 N4 O4 -","- C19 H22 N4 O4 -","- C304 H352 N64 O64 -","16","8","","Nichol, Gary S.; Clegg, William","The Importance of Weak C−H···O Bonds and π···π Stacking Interactions in the Formation of Organic 1,8-Bis(dimethylamino)naphthalene Complexes withZ‘ > 1","Crystal Growth & Design","2006","6","2","451","","10.1021/cg0503806","","","0.71073","MoKα","","0.1023","0.0802","","","0.209","0.2212","","","","","","1.066","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504636","9.3582","0.0019","10.953","0.002","24.37","0.005","90","","90","","90","","2497.9","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H10 Co N O6 -","- C9 H7 Co N O6 -","- C72 H56 Co8 N8 O48 -","8","1","","Duan, Li-Mei; Xie, Feng-Tong; Chen, Xiao-Yan; Chen, Yan; Lu, Yu-Kun; Cheng, Peng; Xu, Ji-Qing","Syntheses, Structures, and Magnetic Properties of Three Novel Metal−Malate−Bipyridine Coordination Polymers with Layered and Pillared Topology","Crystal Growth & Design","2006","6","5","1101","","10.1021/cg050382q","","","0.71073","MoKα","","0.0595","0.0454","","","0.1347","0.1396","","","","","","0.994","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504637","13.104","0.003","9.3549","0.0019","10.883","0.002","90","","113.08","0.03","90","","1227.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N Ni O6 -","- C9 H7 N Ni O6 -","- C36 H28 N4 Ni4 O24 -","4","1","","Duan, Li-Mei; Xie, Feng-Tong; Chen, Xiao-Yan; Chen, Yan; Lu, Yu-Kun; Cheng, Peng; Xu, Ji-Qing","Syntheses, Structures, and Magnetic Properties of Three Novel Metal−Malate−Bipyridine Coordination Polymers with Layered and Pillared Topology","Crystal Growth & Design","2006","6","5","1101","","10.1021/cg050382q","","","0.71073","MoKα","","0.0779","0.0631","","","0.215","0.2261","","","","","","1.053","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504638","9.3525","0.0019","10.917","0.002","24.175","0.005","90","","90","","90","","2468.3","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9 H10 Co0.3 N Ni0.7 O6 -","- C9 H7 Co0.3 N Ni0.7 O6 -","- C72 H56 Co2.4 N8 Ni5.6 O48 -","8","1","","Duan, Li-Mei; Xie, Feng-Tong; Chen, Xiao-Yan; Chen, Yan; Lu, Yu-Kun; Cheng, Peng; Xu, Ji-Qing","Syntheses, Structures, and Magnetic Properties of Three Novel Metal−Malate−Bipyridine Coordination Polymers with Layered and Pillared Topology","Crystal Growth & Design","2006","6","5","1101","","10.1021/cg050382q","","","0.71073","MoKα","","0.0712","0.0566","","","0.1521","0.1587","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504639","14.3139","0.001","14.3139","0.001","14.6728","0.0016","90","","90","","120","","2603.5","0.4","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H18 Co3 O18 -","- C12 H18 Co3 O18 -","- C72 H108 Co18 O108 -","6","0.333333","","Wang, Jing; Zheng, Ling-Ling; Li, Cui-Jin; Zheng, Yan-Zhen; Tong, Ming-Liang","Coexistence of Planar and Chair-Shaped Cyclic Water Hexamers in a Unique Cyclohexanehexacarboxylate-Bridged Metal−Organic Framework","Crystal Growth & Design","2006","6","2","357","","10.1021/cg050388f","","","0.71073","MoKα","","0.0341","0.0309","","","0.0776","0.0782","","","","","","1.101","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504640","4.8875","0.0005","8.4817","0.0008","11.4723","0.0011","110.375","0.002","91","0.002","96.451","0.002","442.18","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","[N-(2-pyridyl) acetamide]2, fumaric acid","","- C18 H20 N4 O6 -","- C18 H20 N4 O6 -","- C18 H20 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0474","0.0438","","","0.1237","0.1275","","","","","","1.046","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504641","9.1172","0.0008","9.2969","0.0008","10.643","0.0009","90","","92.694","0.002","90","","901.12","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[N-(2-pyridyl)acetamide]2, succinic acid","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C36 H44 N8 O12 -","2","0.5","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0475","0.0447","","","0.1217","0.1249","","","","","","1.134","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504642","7.2671","0.0011","34.592","0.005","8.602","0.0012","90","","114.553","0.002","90","","1966.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[N-(2-pyridyl)acetamide]2, pentanedioic acid","","- C19 H24 N4 O6 -","- C19 H24 N4 O6 -","- C76 H96 N16 O24 -","4","1","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0918","0.086","","","0.2723","0.2925","","","","","","2.342","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504643","14.3348","0.0006","16.1008","0.0007","18.8047","0.0012","90","","90.002","0.001","90","","4340.2","0.4","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","[N-(2-pyridyl)acetamide]2, heptanedioic acid","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C168 H224 N32 O48 -","8","1","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0572","0.0509","","","0.1322","0.1368","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504644","13.566","0.002","9.2129","0.0015","17.641","0.003","90","","101.162","0.002","90","","2163.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[N-(2-pyridyl)acetamide]2, octanedioic acid","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C88 H120 N16 O24 -","4","1","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0615","0.0544","","","0.1404","0.147","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504645","16.563","0.003","8.5279","0.0012","18.464","0.003","90","","114.909","0.009","90","","2365.4","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[N-(2-pyridyl)acetamide]2, nonanedioic acid","","- C23 H32 N4 O6 -","- C23 H32 N4 O6 -","- C92 H128 N16 O24 -","4","0.5","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.1483","0.0732","","","0.1516","0.1912","","","","","","0.897","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504646","5.3767","0.0004","6.5416","0.0004","17.0662","0.0012","92.809","0.001","90.247","0.001","101.314","0.001","587.82","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","[N-(2-pyridyl)acetamide]2, decanedioic acid","","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0524","0.0466","","","0.1276","0.1328","","","","","","1.03","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504647","19.5362","0.0014","9.3631","0.0007","12.7665","0.001","90","","113.382","0.004","90","","2143.5","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(3-pyridyl)acetamide, 5-nitroisophthalic acid","","- C22 H21 N5 O8 -","- C22 H21 N5 O8 -","- C88 H84 N20 O32 -","4","0.5","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0774","0.0619","","","0.1586","0.1773","","","","","","1.143","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504648","11.368","0.002","12.223","0.002","14.362","0.003","95.16","0.03","103.38","0.03","100.6","0.03","1889.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N6 O16 Sm2 -","- C36 H24 N6 O16 Sm2 -","- C72 H48 N12 O32 Sm4 -","2","1","","Wu, Jing-Yun; Yeh, Tzu-Tang; Wen, Yuh-Sheng; Twu, Jen; Lu, Kuang-Lieh","Unusual Robust Luminescent Porous Frameworks Self-Assembled from Lanthanide Ions and 2,2‘-Bipyridine-4,4‘-dicarboxylate","Crystal Growth & Design","2006","6","2","467","","10.1021/cg050393j","","","0.71073","MoKα","","0.0419","0.0268","","","0.0673","0.0738","","","","","","1.021","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504649","11.378","0.002","12.208","0.002","14.342","0.003","95.01","0.03","103.48","0.03","100.86","0.03","1884.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 Eu2 N6 O16 -","- C36 H23 Eu2 N6 O16 -","- C72 H46 Eu4 N12 O32 -","2","1","","Wu, Jing-Yun; Yeh, Tzu-Tang; Wen, Yuh-Sheng; Twu, Jen; Lu, Kuang-Lieh","Unusual Robust Luminescent Porous Frameworks Self-Assembled from Lanthanide Ions and 2,2‘-Bipyridine-4,4‘-dicarboxylate","Crystal Growth & Design","2006","6","2","467","","10.1021/cg050393j","","","0.71073","MoKα","","0.0437","0.0325","","","0.0869","0.0933","","","","","","1.044","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504650","11.3645","0.0013","12.193","0.0008","14.271","0.002","95.031","0.011","103.576","0.012","101.06","0.008","1868.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N6 O16 Tb2 -","- C36 H24 N6 O16 Tb2 -","- C72 H48 N12 O32 Tb4 -","2","1","","Wu, Jing-Yun; Yeh, Tzu-Tang; Wen, Yuh-Sheng; Twu, Jen; Lu, Kuang-Lieh","Unusual Robust Luminescent Porous Frameworks Self-Assembled from Lanthanide Ions and 2,2‘-Bipyridine-4,4‘-dicarboxylate","Crystal Growth & Design","2006","6","2","467","","10.1021/cg050393j","","","0.71073","MoKα","","0.0415","0.0342","","","0.09","0.095","","","","","","1.05","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504651","25.4695","0.0014","20.8784","0.0012","9.6872","0.0005","90","","90","","90","","5151.3","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ammonium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate - 18-Crown-6 - Hydrate","","- C21 H41 N O13 -","- C21 H41 N O13 -","- C168 H328 N8 O104 -","8","2","","Bhogala, Balakrishna R.; Nangia, Ashwini","Influence of the Ammonium Cation and 18-Crown-6 Guest on the Supramolecular Networks of 1,3,5-Cyclohexanetricarboxylic Acid","Crystal Growth & Design","2006","6","1","32","35","10.1021/cg050396w","","","0.71073","MoKα","","0.0468","0.0431","","","0.0981","0.1001","","","","","","1.116","","","","has coordinates","256863","2020-10-21","18:00:00",""
"4504652","16.3863","0.0015","17.7514","0.0016","9.1467","0.0009","90","","101.239","0.002","90","","2609.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Hydroxylammonium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate - 18-Crown-6","","- C21 H39 N O13 -","- C21 H39 N O13 -","- C84 H156 N4 O52 -","4","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Influence of the Ammonium Cation and 18-Crown-6 Guest on the Supramolecular Networks of 1,3,5-Cyclohexanetricarboxylic Acid","Crystal Growth & Design","2006","6","1","32","35","10.1021/cg050396w","","","0.71073","MoKα","","0.0586","0.0464","","","0.1126","0.12","","","","","","1.052","","","","has coordinates","211127","2020-10-21","18:00:00",""
"4504653","16.5374","0.0008","16.5374","0.0008","11.583","0.0011","90","","90","","120","","2743.4","0.3","298","2","298","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 18-crown-6","","- C2.5 H4 O1.5 -","- C2.5 H4 O1.5 -","- C90 H144 O54 -","36","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Influence of the Ammonium Cation and 18-Crown-6 Guest on the Supramolecular Networks of 1,3,5-Cyclohexanetricarboxylic Acid","Crystal Growth & Design","2006","6","1","32","35","10.1021/cg050396w","","","0.71073","MoKα","","0.0858","0.054","","","0.1245","0.1413","","","","","","1.035","","","","has coordinates","211127","2020-10-21","18:00:00",""
"4504654","11.149","0.0009","9.5914","0.0008","8.5221","0.0007","90","","108.139","0.001","90","","866.02","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-fluorocytosine 2,2,2-trifluoroethanol","","- C6 H7 F4 N3 O2 -","- C6 H7 F4 N3 O2 -","- C24 H28 F16 N12 O8 -","4","1","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.0404","0.0378","","","0.0946","0.0965","","","","","","1.106","","","","has coordinates","211129","2020-10-21","18:00:00",""
"4504655","7.3871","0.0006","9.394","0.0008","17.5787","0.0015","90","","98.608","0.002","90","","1206.12","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-fluorocytosine monohydrate","","- C4 H6 F N3 O2 -","- C4 H6 F N3 O2 -","- C32 H48 F8 N24 O16 -","8","2","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.059","0.0456","","","0.1112","0.1201","","","","","","1.08","","","","has coordinates","211129","2020-10-21","18:00:00",""
"4504656","6.6387","0.0004","6.6387","0.0004","23.471","0.003","90","","90","","90","","1034.42","0.16","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","5-fluorocytosine Form I","","- C4 H4 F N3 O -","- C4 H4 F N3 O -","- C32 H32 F8 N24 O8 -","8","1","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.034","0.0334","","","0.0854","0.086","","","","","","1.089","","","","has coordinates","211129","2020-10-21","18:00:00",""
"4504657","4.1026","0.0005","8.2731","0.001","9.9191","0.0012","110.036","0.002","100.46","0.002","96.71","0.002","305.14","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5-fluorocytosine monohydrate II","","- C4 H6 F N3 O2 -","- C4 H6 F N3 O2 -","- C8 H12 F2 N6 O4 -","2","1","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.0389","0.0368","","","0.1073","0.1096","","","","","","1.056","","","","has coordinates","211129","2020-10-21","18:00:00",""
"4504658","4.0629","0.0004","9.5211","0.0009","12.7386","0.0012","90","","92.986","0.002","90","","492.1","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-fluorocytosine Form II","","- C4 H4 F N3 O -","- C4 H4 F N3 O -","- C16 H16 F4 N12 O4 -","4","1","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.0357","0.0341","","","0.1083","0.1108","","","","","","1.087","","","","has coordinates","211129","2020-10-21","18:00:00",""
"4504659","12.2384","0.0008","9.4254","0.0006","13.8727","0.0009","90","","111.391","0.001","90","","1490.01","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-fluorocytosine hemipentahydrate","","- C4 H9 F N3 O3.5 -","- C4 H9 F N3 O3.5 -","- C32 H72 F8 N24 O28 -","8","2","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.0462","0.0443","","","0.1301","0.1316","","","","","","1.13","","","","has coordinates","211129","2020-10-21","18:00:00",""
"4504660","8.4486","0.0009","9.2898","0.001","16.1042","0.0018","90","","97.371","0.002","90","","1253.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-fluorocytosine methanol solvate 2/1","","- C9 H12 F2 N6 O3 -","- C9 H12 F2 N6 O3 -","- C36 H48 F8 N24 O12 -","4","1","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.0949","0.0656","","","0.1464","0.1621","","","","","","1.099","","","","has coordinates","211129","2020-10-21","18:00:00",""
"4504661","10.0048","0.0008","10.4951","0.0008","10.6453","0.0008","93.816","0.001","107.843","0.001","93.688","0.001","1057.42","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Triaquabis{pyridine-2,6-dicarboxylato}cerium(IV)tertahydrate","","- C14 H20 Ce N2 O15 -","- C14 H20 Ce N2 O15 -","- C28 H40 Ce2 N4 O30 -","2","1","","Prasad, T. K.; Rajasekharan, M. V.","A Novel Water Octamer in Ce(dipic)2(H2O)3·4H2O: Crystallographic, Thermal, and Theoretical Studies","Crystal Growth & Design","2006","6","2","488","","10.1021/cg050417m","","","0.71073","MoKα","","0.0175","0.0173","","","0.048","0.0481","","","","","","1.241","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504662","15.1129","0.0015","12.4966","0.0011","16.848","0.0016","90","","90","","90","","3181.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Cd N2 O6 -","- C15 H14 Cd N2 O6 -","- C120 H112 Cd8 N16 O48 -","8","1","","Liao, Ju-Hsiou; Wu, Pei-Chi; Huang, Wei-Chia","Ionic Liquid as Solvent for the Synthesis and Crystallization of a Coordination Polymer: (EMI)[Cd(BTC)] (EMI = 1-Ethyl-3-methylimidazolium, BTC = 1,3,5-Benzenetricarboxylate)","Crystal Growth & Design","2006","6","5","1062","","10.1021/cg0504197","","","0.71073","MoKα","","0.0933","0.0715","","","0.13","0.1373","","","","","","1.21","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504663","14.493","0.005","16.245","0.006","13.644","0.003","107.19","0.02","90.52","0.03","101.71","0.03","2996.8","1.7","293","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Au O3 P S2 -","- C30 H32 Au O3 P S2 -","- C120 H128 Au4 O12 P4 S8 -","4","2","","Yun, Sock-Sung; Kim, Jae-Kyung; Jung, Jae-Sun; Park, Changmoon; Kang, Jun-Gill; Smyth, Douglas R.; Tiekink, Edward R. T.","Pseudo-polymorphism in the Tri(o-tolyl)phosphinegold(I) 2-Mercaptobenzoates: Crystallographic, Thermal Decomposition, and Luminescence Studies","Crystal Growth & Design","2006","6","4","899","","10.1021/cg0504206","","","0.71069","MoKα","","0.134","0.04","","","0.103","0.133","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504664","25.2307","0.0019","17.8084","0.0013","7.5488","0.0005","90","","97.929","0.002","90","","3359.4","0.4","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C54 H74 Cl4 Cu4 N8 O22 -","- C54 H74 Cl4 Cu4 N8 O22 -","- C108 H148 Cl8 Cu8 N16 O44 -","2","0.25","","Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Ribas, Joan; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Hydrogen-Bonded Assembly of Water and Chloride in a 3D Supramolecular Host","Crystal Growth & Design","2006","6","1","36","","10.1021/cg050423i","","","0.71073","MoKα","","0.1503","0.0562","","","0.1636","0.185","","","","","","0.883","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504665","8.7339","0.0011","12.202","0.002","20.083","0.003","90","","90.886","0.015","90","","2140","0.5","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N4 O3 P -","- C22 H23 N4 O3 P -","- C88 H92 N16 O12 P4 -","4","1","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran; Bickley, Jamie F.; Steiner, Alexander","Influence of O−H···OP Hydrogen Bonding on the Supramolecular Architectures of Phosphorus-Based Hydrazones: Alternate Right- and Left-Handed Fused Helical Chains Based on O−H···OP Hydrogen Bonds in the Crystal Structure of C6H5P(O)[N(CH3)NCHC6H4-p-OH]2","Crystal Growth & Design","2006","6","4","910","","10.1021/cg050426v","","","0.71073","MoKα","","0.0475","0.0415","","","0.0914","0.0943","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504666","13.361","0.005","13.967","0.006","12.022","0.005","90","","102.75","0.08","90","","2188.1","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N4 O3 P -","- C22 H23 N4 O3 P -","- C88 H92 N16 O12 P4 -","4","1","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran; Bickley, Jamie F.; Steiner, Alexander","Influence of O−H···OP Hydrogen Bonding on the Supramolecular Architectures of Phosphorus-Based Hydrazones: Alternate Right- and Left-Handed Fused Helical Chains Based on O−H···OP Hydrogen Bonds in the Crystal Structure of C6H5P(O)[N(CH3)NCHC6H4-p-OH]2","Crystal Growth & Design","2006","6","4","910","","10.1021/cg050426v","","","0.71073","MoKα","","0.1355","0.0706","","","0.1516","0.1791","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504667","7.0504","0.0008","35.688","0.005","8.7657","0.0012","90","","90","","90","","2205.6","0.5","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H23 N4 O3 P -","- C22 H23 N4 O3 P -","- C88 H92 N16 O12 P4 -","4","1","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran; Bickley, Jamie F.; Steiner, Alexander","Influence of O−H···OP Hydrogen Bonding on the Supramolecular Architectures of Phosphorus-Based Hydrazones: Alternate Right- and Left-Handed Fused Helical Chains Based on O−H···OP Hydrogen Bonds in the Crystal Structure of C6H5P(O)[N(CH3)NCHC6H4-p-OH]2","Crystal Growth & Design","2006","6","4","910","","10.1021/cg050426v","","","0.71073","MoKα","","0.0426","0.0388","","","0.0996","0.1046","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504668","23.602","0.005","11.601","0.002","23.545","0.005","90","","109.05","0.03","90","","6094","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H39 O56.25 S Si Sm2.5 W11 -","- C2 H4 O56.25 S Si Sm2.5 W11 -","- C8 H16 O225 S4 Si4 Sm10 W44 -","4","1","","Wang, Jing-Ping; Zhao, Jun-Wei; Duan, Xian-Ying; Niu, Jing-Yang","Syntheses and Structures of One- and Two-Dimensional Organic−Inorganic Hybrid Rare Earth Derivatives Based on Monovacant Keggin-Type Polyoxotungstates","Crystal Growth & Design","2006","6","2","507","","10.1021/cg050433j","","","0.71073","MoKα","","0.0865","0.0609","","","0.1238","0.1322","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504669","23.537","0.005","11.516","0.002","23.418","0.005","90","","109.17","0.03","90","","5996","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H41 Dy2.5 Ge O56.75 S W11 -","- C2 H4 Dy2.5 Ge O56.75 S W11 -","- C8 H16 Dy10 Ge4 O227 S4 W44 -","4","1","","Wang, Jing-Ping; Zhao, Jun-Wei; Duan, Xian-Ying; Niu, Jing-Yang","Syntheses and Structures of One- and Two-Dimensional Organic−Inorganic Hybrid Rare Earth Derivatives Based on Monovacant Keggin-Type Polyoxotungstates","Crystal Growth & Design","2006","6","2","507","","10.1021/cg050433j","","","0.71073","MoKα","","0.0717","0.0477","","","0.095","0.1017","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504670","12.894","0.003","13.193","0.003","20.591","0.004","108.09","0.03","90.69","0.03","107.79","0.03","3148.2","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H53 N2 O99 Si2 Sm5 W22 -","- C6 H14 N2 O99 Si2 Sm5 W22 -","- C6 H14 N2 O99 Si2 Sm5 W22 -","1","0.5","","Wang, Jing-Ping; Zhao, Jun-Wei; Duan, Xian-Ying; Niu, Jing-Yang","Syntheses and Structures of One- and Two-Dimensional Organic−Inorganic Hybrid Rare Earth Derivatives Based on Monovacant Keggin-Type Polyoxotungstates","Crystal Growth & Design","2006","6","2","507","","10.1021/cg050433j","","","0.71073","MoKα","","0.1031","0.0798","","","0.164","0.1782","","","","","","1.023","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504671","9.2868","0.0004","10.3422","0.0004","13.2609","0.0005","86.8385","0.0015","72.35","0.002","78.4268","0.0015","1189","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Co2 N14 O4 S4 -","- C38 H46 Co2 N14 O4 S4 -","- C38 H46 Co2 N14 O4 S4 -","1","0.5","","Shin, Dong Mok; Lee, In Su; Chung, Young Keun","Rational Synthesis and Characterization of Robust Microporous Metal−Organic Frameworks with Base Functionality","Crystal Growth & Design","2006","6","5","1059","","10.1021/cg0504399","","","0.71073","MoKα","","0.109","0.0416","","","0.0899","0.0989","","","","","","0.908","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504672","15.721","0.001","15.828","0.001","15.414","0.001","90","","90","","90","","3835.5","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H40 Co N10 O6 S2 -","- C30 H18 Co N10 O6 S2 -","- C120 H72 Co4 N40 O24 S8 -","4","0.5","","Shin, Dong Mok; Lee, In Su; Chung, Young Keun","Rational Synthesis and Characterization of Robust Microporous Metal−Organic Frameworks with Base Functionality","Crystal Growth & Design","2006","6","5","1059","","10.1021/cg0504399","","","0.71073","MoKα","","0.1484","0.095","","","0.2958","0.3308","","","","","","1.101","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504673","13.7195","0.0008","13.6998","0.0008","18.1247","0.0011","77.634","0.003","77.225","0.003","63.562","0.003","2948.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H50 Co2 N18 O2 S4 -","- C55 H51 Co2 N17 O2 S4 -","- C110 H102 Co4 N34 O4 S8 -","2","1","","Shin, Dong Mok; Lee, In Su; Chung, Young Keun","Rational Synthesis and Characterization of Robust Microporous Metal−Organic Frameworks with Base Functionality","Crystal Growth & Design","2006","6","5","1059","","10.1021/cg0504399","","","0.71073","MoKα","","0.1513","0.0719","","","0.1441","0.1781","","","","","","1.024","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504674","16.604","0.001","14.532","0.001","16.097","0.001","90","","90","","90","","3884","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H21 Co N7 S2 -","- C26 H20 Co N7 S2 -","- C104 H80 Co4 N28 S8 -","4","0.5","","Shin, Dong Mok; Lee, In Su; Chung, Young Keun","Rational Synthesis and Characterization of Robust Microporous Metal−Organic Frameworks with Base Functionality","Crystal Growth & Design","2006","6","5","1059","","10.1021/cg0504399","","","0.71073","MoKα","","0.1757","0.0898","","","0.2749","0.3358","","","","","","1.034","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504675","33.585","0.002","33.585","0.002","33.585","0.002","90","","90","","90","","37882","4","293","2","293","2","","","","","","","","3","F d -3 c :2","-F 4ud 2vw 3","228","","3,3,5,5-Tetrakis(3-pyridyl)bimesityl","","- C38 H34 N4 -","- C38 H34 N4 -","- C1824 H1632 N192 -","48","0.25","","Moorthy, Jarugu Narasimha; Natarajan, Ramalingam; Savitha, Govardhan; Venugopalan, Paloth","Influence of Weaker Interactions on the Self-Assembly of Rigid Molecular Scaffolds Based on Tetraarylbimesityls","Crystal Growth & Design","2006","6","4","919","","10.1021/cg0504410","","","0.71073","MoKα","","0.197","0.066","","","0.1401","0.1776","","","","","","1.01","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504676","21.967","0.005","6.41","0.005","21.964","0.005","90","0.005","110.648","0.005","90","0.005","2894","2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,3,5,5-Tetrakis(4-pyridyl)bimesityl","","- C38 H34 N4 -","- C38 H34 N4 -","- C152 H136 N16 -","4","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Ramalingam; Savitha, Govardhan; Venugopalan, Paloth","Influence of Weaker Interactions on the Self-Assembly of Rigid Molecular Scaffolds Based on Tetraarylbimesityls","Crystal Growth & Design","2006","6","4","919","","10.1021/cg0504410","","","0.71069","MoKα","","0.0843","0.0762","","","0.1963","0.2022","","","","","","1.107","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504677","16.829","0.003","16.829","0.003","13.423","0.005","90","","90","","90","","3801.6","1.7","273","2","273","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","3,35,5-Tetrakis(4-cyanophenyl)bimesityl","","- C46 H34 N4 -","- C46 H34 N4 -","- C184 H136 N16 -","4","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Ramalingam; Savitha, Govardhan; Venugopalan, Paloth","Influence of Weaker Interactions on the Self-Assembly of Rigid Molecular Scaffolds Based on Tetraarylbimesityls","Crystal Growth & Design","2006","6","4","919","","10.1021/cg0504410","","","0.71073","MoKα","","0.1695","0.0772","","","0.1754","0.2128","","","","","","1.011","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504678","9.1282","0.0013","9.4522","0.0013","11.859","0.0017","69.745","0.002","73.071","0.002","89.067","0.002","914.3","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H50 Co N4 O14 -","- C30 H50 Co N4 O14 -","- C30 H50 Co N4 O14 -","1","0.5","","Luan, Xinjun; Chu, Yichun; Wang, Yaoyu; Li, Dongsheng; Liu, Ping; Shi, Qizhen","Formation of Two-Dimensional Supramolecular Water Layer Containing (H2O)18Morphology via Dianion Templating","Crystal Growth & Design","2006","6","4","812","","10.1021/cg0504509","","","0.71073","MoKα","","0.037","0.0339","","","0.0975","0.0991","","","","","","1.097","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504679","7.9633","0.0005","10.3757","0.0006","13.1054","0.0008","90","","105.673","0.001","90","","1042.57","0.11","123","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cu N5 -","- C12 H8 Cu N5 -","- C48 H32 Cu4 N20 -","4","1","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","From One- to Three-Dimensional Architectures: Supramolecular Isomerism of Copper(I) 3,5-Di(4-pyridyl)-1,2,4-triazolate Involving in Situ Ligand Synthesis","Crystal Growth & Design","2006","6","2","519","","10.1021/cg050453l","","","0.71073","MoKα","","0.0348","0.0298","","","0.0761","0.0785","","","","","","1.05","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504680","9.4278","0.0005","24.7779","0.0014","10.6761","0.0006","90","","113.025","0.001","90","","2295.3","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H8 Cu N5 -","- C12 H8 Cu N5 -","- C96 H64 Cu8 N40 -","8","2","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","From One- to Three-Dimensional Architectures: Supramolecular Isomerism of Copper(I) 3,5-Di(4-pyridyl)-1,2,4-triazolate Involving in Situ Ligand Synthesis","Crystal Growth & Design","2006","6","2","519","","10.1021/cg050453l","","","0.71073","MoKα","","0.027","0.0259","","","0.0616","0.062","","","","","","1.013","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504681","9.2065","0.0008","25.574","0.002","6.8104","0.0006","90","","90.256","0.002","90","","1603.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 Cu N6 O4 -","- C12 H19 Cu N6 O4 -","- C48 H76 Cu4 N24 O16 -","4","1","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","From One- to Three-Dimensional Architectures: Supramolecular Isomerism of Copper(I) 3,5-Di(4-pyridyl)-1,2,4-triazolate Involving in Situ Ligand Synthesis","Crystal Growth & Design","2006","6","2","519","","10.1021/cg050453l","","","0.71073","MoKα","","0.0468","0.0419","","","0.0995","0.1011","","","","","","1.013","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504682","13.289","0.003","14.121","0.003","14.326","0.003","71.29","0.03","88.96","0.03","77.91","0.03","2486.3","1.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H62 Cu6 Mo12 N16 O44 P V2 -","- C80 H62 Cu6 Mo12 N16 O44 P V2 -","- C80 H62 Cu6 Mo12 N16 O44 P V2 -","1","0.5","","Liu, Cai-Ming; Zhang, De-Qing; Zhu, Dao-Ben","One- and Two-Dimensional Coordination Polymers Constructed from Bicapped Keggin Mixed Molybdenum−Vanadium Heteropolyoxoanions and Polynuclear Copper(I) Clusters Bridged by Asymmetrical Bipyridine (2,4‘-bipy and 2,3‘-bipy) Ligands","Crystal Growth & Design","2006","6","2","524","","10.1021/cg0504556","","","0.71073","MoKα","","0.1148","0.0642","","","0.1881","0.2009","","","","","","0.969","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504683","12.945","0.003","13.05","0.003","15.374","0.003","103.3","0.03","103.91","0.03","112.39","0.03","2176.1","1.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H48 Cu5 Mo8 N12 O44.5 P V6 -","- C60 H48 Cu5 Mo8 N12 O44.5 P V6 -","- C60 H48 Cu5 Mo8 N12 O44.5 P V6 -","1","0.5","","Liu, Cai-Ming; Zhang, De-Qing; Zhu, Dao-Ben","One- and Two-Dimensional Coordination Polymers Constructed from Bicapped Keggin Mixed Molybdenum−Vanadium Heteropolyoxoanions and Polynuclear Copper(I) Clusters Bridged by Asymmetrical Bipyridine (2,4‘-bipy and 2,3‘-bipy) Ligands","Crystal Growth & Design","2006","6","2","524","","10.1021/cg0504556","","","0.71073","MoKα","","0.1013","0.0555","","","0.1438","0.1654","","","","","","0.924","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504684","13.579","0.003","23.032","0.005","9.889","0.002","90","","109.662","0.004","90","","2912.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cd2 N14 O10 -","- C56 H52 Cd2 N14 O10 -","- C112 H104 Cd4 N28 O20 -","2","0.5","","Wen, Lili; Li, Yizhi; Lu, Zhenda; Lin, Jianguo; Duan, Chunying; Meng, Qingjin","Syntheses and Structures of Four d10Metal−Organic Frameworks Assembled with Aromatic Polycarboxylate and bix [bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]","Crystal Growth & Design","2006","6","2","530","","10.1021/cg050458i","","","0.71073","MoKα","","0.0605","0.0395","","","0.072","0.0752","","","","","","1.019","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504685","10.349","0.002","10.903","0.002","13.952","0.003","68.669","0.004","79.582","0.004","82.797","0.004","1439.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cd2 N6 O9 -","- C28 H22 Cd2 N6 O9 -","- C56 H44 Cd4 N12 O18 -","2","1","","Wen, Lili; Li, Yizhi; Lu, Zhenda; Lin, Jianguo; Duan, Chunying; Meng, Qingjin","Syntheses and Structures of Four d10Metal−Organic Frameworks Assembled with Aromatic Polycarboxylate and bix [bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]","Crystal Growth & Design","2006","6","2","530","","10.1021/cg050458i","","","0.71073","MoKα","","0.0308","0.0276","","","0.0749","0.0766","","","","","","1.005","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504686","10.08","0.002","13.063","0.003","17.815","0.004","79.029","0.004","86.325","0.004","78.211","0.004","2253.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H78 Cd3 N16 O22 S -","- C72 H78 Cd3 N16 O22 S -","- C72 H78 Cd3 N16 O22 S -","1","0.5","","Wen, Lili; Li, Yizhi; Lu, Zhenda; Lin, Jianguo; Duan, Chunying; Meng, Qingjin","Syntheses and Structures of Four d10Metal−Organic Frameworks Assembled with Aromatic Polycarboxylate and bix [bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]","Crystal Growth & Design","2006","6","2","530","","10.1021/cg050458i","","","0.71073","MoKα","","0.0727","0.0444","","","0.0727","0.0754","","","","","","1.048","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504687","14.003","0.003","19.84","0.004","18.633","0.004","90","","96.932","0.004","90","","5138.8","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 N12 O10 S Zn2 -","- C50 H50 N12 O10 S Zn2 -","- C200 H200 N48 O40 S4 Zn8 -","4","0.5","","Wen, Lili; Li, Yizhi; Lu, Zhenda; Lin, Jianguo; Duan, Chunying; Meng, Qingjin","Syntheses and Structures of Four d10Metal−Organic Frameworks Assembled with Aromatic Polycarboxylate and bix [bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]","Crystal Growth & Design","2006","6","2","530","","10.1021/cg050458i","","","0.71073","MoKα","","0.088","0.0552","","","0.1099","0.1163","","","","","","1.031","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504688","13.284","0.002","14.76","0.003","16.701","0.003","81.455","0.003","68.819","0.003","66.35","0.003","2796.9","0.9","173","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Ag3 Mo12 N6 O40 P -","- C30 H24 Ag3 Mo12 N6 O40 P -","- C60 H48 Ag6 Mo24 N12 O80 P2 -","2","1","","Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Dependent Assembly of Cyclic Structure","Crystal Growth & Design","2006","6","2","572","","10.1021/cg050459a","","","0.71073","MoKα","","0.044","0.0393","","","0.0875","0.09","","","","","","1.112","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504689","23.166","0.004","14.01","0.003","20.958","0.004","90","","107.466","0.003","90","","6488","2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Ag4 N8 O40 Si W12 -","- C40 H32 Ag4 N8 O40 Si W12 -","- C160 H128 Ag16 N32 O160 Si4 W48 -","4","1","","Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Dependent Assembly of Cyclic Structure","Crystal Growth & Design","2006","6","2","572","","10.1021/cg050459a","","","0.71073","MoKα","","0.1244","0.1138","","","0.2414","0.2481","","","","","","1.161","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504690","11.4489","0.0017","12.2137","0.0019","13.357","0.002","105.404","0.002","100.976","0.002","104.254","0.002","1678.6","0.4","123","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Ag3 N8 O40 P W12 -","- C40 H32 Ag3 N8 O40 P W12 -","- C40 H32 Ag3 N8 O40 P W12 -","1","0.5","","Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Dependent Assembly of Cyclic Structure","Crystal Growth & Design","2006","6","2","572","","10.1021/cg050459a","","","0.71073","MoKα","","0.0642","0.0582","","","0.1463","0.1513","","","","","","1.065","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504691","23.475","0.003","13.771","0.0019","20.951","0.003","90","","107.882","0.002","90","","6445.7","1.5","123","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cu4 N8 O40 Si W12 -","- C40 H32 Cu4 N8 O40 Si W12 -","- C160 H128 Cu16 N32 O160 Si4 W48 -","4","1","","Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Dependent Assembly of Cyclic Structure","Crystal Growth & Design","2006","6","2","572","","10.1021/cg050459a","","","0.71073","MoKα","","0.0749","0.0608","","","0.126","0.1326","","","","","","1.125","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504692","11.2758","0.0019","12.141","0.002","13.492","0.002","106.211","0.003","101.978","0.003","102.46","0.003","1659.7","0.5","123","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Cu3 N8 O40 P W12 -","- C40 H32 Cu3 N8 O40 P W12 -","- C40 H32 Cu3 N8 O40 P W12 -","1","0.5","","Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Dependent Assembly of Cyclic Structure","Crystal Growth & Design","2006","6","2","572","","10.1021/cg050459a","","","0.71073","MoKα","","0.0569","0.0499","","","0.1247","0.1295","","","","","","1.057","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504693","11.075","0.003","11.472","0.003","17.059","0.004","90","","95.439","0.005","90","","2157.6","1","14","4","14","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(imdiazole)tetrakis(N-saccharinato) tetrakis(N,O-saccharinato)biscopper(II)","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","","Naumov, Panče; Jovanovski, Gligor; Sakurai, Kenji","Thermally Induced Saccharinate Ligand Flips Close to Ambient Temperature","Crystal Growth & Design","2006","6","4","815","","10.1021/cg050468j","","","0.71073","MoKα","","0.1283","0.0708","","","0.1943","0.2628","","","","","","1.13","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504694","11.0106","0.0015","11.4439","0.0016","16.947","0.002","90","","95.347","0.003","90","","2126.1","0.5","90","5","90","5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(imdiazole)tetrakis(N-saccharinato) tetrakis(N,O-saccharinato)biscopper(II)","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","","Naumov, Panče; Jovanovski, Gligor; Sakurai, Kenji","Thermally Induced Saccharinate Ligand Flips Close to Ambient Temperature","Crystal Growth & Design","2006","6","4","815","","10.1021/cg050468j","","","0.71073","MoKα","","0.077","0.0574","","","0.1686","0.1906","","","","","","1.116","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504695","11.0793","0.0012","11.4698","0.0013","17.067","0.002","90","","95.433","0.002","90","","2159.1","0.4","243","1","243","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(imdiazole)tetrakis(N-saccharinato) tetrakis(N,O-saccharinato)biscopper(II)","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","","Naumov, Panče; Jovanovski, Gligor; Sakurai, Kenji","Thermally Induced Saccharinate Ligand Flips Close to Ambient Temperature","Crystal Growth & Design","2006","6","4","815","","10.1021/cg050468j","","","0.71073","MoKα","","0.0796","0.0551","","","0.1754","0.1918","","","","","","1.127","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504696","11.0797","0.0018","11.4656","0.0018","17.07","0.003","90","","95.461","0.004","90","","2158.7","0.6","258","1","258","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(imdiazole)tetrakis(N-saccharinato) tetrakis(N,O-saccharinato)biscopper(II)","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","","Naumov, Panče; Jovanovski, Gligor; Sakurai, Kenji","Thermally Induced Saccharinate Ligand Flips Close to Ambient Temperature","Crystal Growth & Design","2006","6","4","815","","10.1021/cg050468j","","","0.71073","MoKα","","0.0818","0.0558","","","0.1744","0.1876","","","","","","1.086","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504697","11.0965","0.0012","11.48","0.0012","17.0839","0.0018","90","","95.448","0.002","90","","2166.5","0.4","280","2","280","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(imdiazole)tetrakis(N-saccharinato) tetrakis(N,O-saccharinato)biscopper(II)","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","","Naumov, Panče; Jovanovski, Gligor; Sakurai, Kenji","Thermally Induced Saccharinate Ligand Flips Close to Ambient Temperature","Crystal Growth & Design","2006","6","4","815","","10.1021/cg050468j","","","0.71073","MoKα","","0.1402","0.0758","","","0.2044","0.2754","","","","","","1.107","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504698","11.0993","0.0014","11.4765","0.0015","17.089","0.002","90","","95.486","0.003","90","","2166.8","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(imdiazole)tetrakis(N-saccharinato) tetrakis(N,O-saccharinato)biscopper(II)","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","","Naumov, Panče; Jovanovski, Gligor; Sakurai, Kenji","Thermally Induced Saccharinate Ligand Flips Close to Ambient Temperature","Crystal Growth & Design","2006","6","4","815","","10.1021/cg050468j","","","0.71073","MoKα","","0.1255","0.0614","","","0.1673","0.2128","","","","","","1.04","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504699","7.6749","0.0008","7.9808","0.0008","9.888","0.001","95.491","0.002","105.737","0.002","114.892","0.002","513.3","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N8 O8 Zn -","- C16 H20 N8 O8 Zn -","- C16 H20 N8 O8 Zn -","1","0.5","","Ghosh, A. K.; Jana, A. D.; Ghoshal, D.; Mostafa, G.; Chaudhuri, N. Ray","Toward the Recognition of Enolates/Dicarboxylates: Syntheses and X-ray Crystal Structures of Supramolecular Architectures of Zn(II)/Cd(II) Using 2,2‘-Biimidazole","Crystal Growth & Design","2006","6","3","701","","10.1021/cg050473n","","","0.71073","MoKα","","0.0361","0.0333","","","0.0795","0.0811","","","","","","1.066","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504700","7.7751","0.0018","7.9949","0.0018","9.853","0.002","95.115","0.003","104.819","0.003","114.478","0.002","525.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Cd N8 O8 W0 -","- C16 H20 Cd N8 O8 -","- C16 H20 Cd N8 O8 -","1","0.5","","Ghosh, A. K.; Jana, A. D.; Ghoshal, D.; Mostafa, G.; Chaudhuri, N. Ray","Toward the Recognition of Enolates/Dicarboxylates: Syntheses and X-ray Crystal Structures of Supramolecular Architectures of Zn(II)/Cd(II) Using 2,2‘-Biimidazole","Crystal Growth & Design","2006","6","3","701","","10.1021/cg050473n","","","0.71073","MoKα","","0.0438","0.0414","","","0.0901","0.0918","","","","","","1.033","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504701","14.837","0.002","7.4105","0.0012","21.939","0.004","90","","90.597","0.002","90","","2412.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H30 N8 O10 Zn -","- C17 H30 N8 O10 Zn -","- C68 H120 N32 O40 Zn4 -","4","0.5","","Ghosh, A. K.; Jana, A. D.; Ghoshal, D.; Mostafa, G.; Chaudhuri, N. Ray","Toward the Recognition of Enolates/Dicarboxylates: Syntheses and X-ray Crystal Structures of Supramolecular Architectures of Zn(II)/Cd(II) Using 2,2‘-Biimidazole","Crystal Growth & Design","2006","6","3","701","","10.1021/cg050473n","","","0.71073","MoKα","","0.045","0.0382","","","0.0882","0.0914","","","","","","1.039","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504702","15.0996","0.0018","7.4915","0.0009","21.943","0.003","90","","91.05","0.002","90","","2481.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H30 Cd N8 O10 -","- C17 H30 Cd N8 O10 -","- C68 H120 Cd4 N32 O40 -","4","0.5","","Ghosh, A. K.; Jana, A. D.; Ghoshal, D.; Mostafa, G.; Chaudhuri, N. Ray","Toward the Recognition of Enolates/Dicarboxylates: Syntheses and X-ray Crystal Structures of Supramolecular Architectures of Zn(II)/Cd(II) Using 2,2‘-Biimidazole","Crystal Growth & Design","2006","6","3","701","","10.1021/cg050473n","","","0.71073","MoKα","","0.0275","0.0259","","","0.0648","0.0659","","","","","","1.055","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504703","6.405","0.0007","18.0946","0.0019","10.2268","0.001","90","","100.503","0.002","90","","1165.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 N8 O10 Zn -","- C16 H28 N8 O10 Zn -","- C32 H56 N16 O20 Zn2 -","2","0.5","","Ghosh, A. K.; Jana, A. D.; Ghoshal, D.; Mostafa, G.; Chaudhuri, N. Ray","Toward the Recognition of Enolates/Dicarboxylates: Syntheses and X-ray Crystal Structures of Supramolecular Architectures of Zn(II)/Cd(II) Using 2,2‘-Biimidazole","Crystal Growth & Design","2006","6","3","701","","10.1021/cg050473n","","","0.71073","MoKα","","0.0355","0.0317","","","0.0821","0.0842","","","","","","1.072","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504704","7.645","0.0008","7.9146","0.0008","9.9039","0.001","95.08","0.002","95.424","0.002","112.68","0.002","545.32","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Cd N8 O8 -","- C16 H24 Cd N8 O8 -","- C16 H24 Cd N8 O8 -","1","0.5","","Ghosh, A. K.; Jana, A. D.; Ghoshal, D.; Mostafa, G.; Chaudhuri, N. Ray","Toward the Recognition of Enolates/Dicarboxylates: Syntheses and X-ray Crystal Structures of Supramolecular Architectures of Zn(II)/Cd(II) Using 2,2‘-Biimidazole","Crystal Growth & Design","2006","6","3","701","","10.1021/cg050473n","","","0.71073","MoKα","","0.0313","0.0306","","","0.0732","0.0737","","","","","","1.052","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504705","7.4772","0.0015","9.6304","0.0019","11.9893","0.0002","85.751","0.011","86.099","0.011","81.753","0.011","850.6","0.2","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","3-acetylcoumarin","3-acetyl-2H-1-benzopyran-2-one","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","2","","Munshi, Parthapratim; Guru Row, Tayur N.","Topological Analysis of Charge Density Distribution in Concomitant Polymorphs of 3-Acetylcoumarin, A Case of Packing Polymorphism","Crystal Growth & Design","2006","6","3","708","","10.1021/cg050484g","","x-ray","0.71073","MoKα","","0.0196","0.0196","","","","0.0192","","","","","","1.9597","","","","has coordinates","192346","2020-10-21","18:00:00",""
"4504706","11.3068","0.0007","3.9871","0.0002","18.7586","0.0011","90","","90.454","0.002","90","","845.64","0.08","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-acetylcoumarin","3-acetyl-2H-1-benzopyran-2-one","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","1","","Munshi, Parthapratim; Guru Row, Tayur N.","Topological Analysis of Charge Density Distribution in Concomitant Polymorphs of 3-Acetylcoumarin, A Case of Packing Polymorphism","Crystal Growth & Design","2006","6","3","708","","10.1021/cg050484g","","x-ray","0.71073","MoKα","","0.0209","0.0209","","","","0.0186","","","","","","2.0716","","","","has coordinates","192346","2020-10-21","18:00:00",""
"4504707","28.4485","0.0015","28.4485","0.0015","9.9871","0.0007","90","","90","","120","","6999.9","0.7","125","2","125","2","","","","","","","","4","R -3 :H","-R 3","148","Ethylpyrogall[6]arene*12 DMSO Clathrate","Ethylpyrogall[6]arene*12 DMSO Clathrate","","- C13 H22 O5 S2 -","- C13 H22 O5 S2 -","- C234 H396 O90 S36 -","18","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Pseudopolymorphism of Ethylpyrogall[6]arene: Investigating the Role of Solvent in Guiding Self-Assembly of 3D Networks","Crystal Growth & Design","2006","6","3","719","","10.1021/cg050489d","","x-ray","0.71073","MoKα","","0.0426","0.0365","","","0.0977","0.103","","","","","","1.026","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4504708","24.691","0.002","24.691","0.002","10.2849","0.0013","90","","90","","120","","5430.1","0.9","125","1","125","2","","","","","","","","4","R -3 :H","-R 3","148","Ethylpyrgall[6]arene*4.26 DMSO*1.74 Acetone Clathrate","Ethylpyrgall[6]arene*4.26 DMSO*1.74 Acetone Clathrate","","- C11.04 H15.67 O3.94 S0.79 -","- C11.2941 H16.0084 O4.0014 S0.7101 -","- C203.294 H288.151 O72.0252 S12.7818 -","18","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Pseudopolymorphism of Ethylpyrogall[6]arene: Investigating the Role of Solvent in Guiding Self-Assembly of 3D Networks","Crystal Growth & Design","2006","6","3","719","","10.1021/cg050489d","","x-ray","0.71073","MoKα","","0.0815","0.0461","","","0.0978","0.113","","","","","","1.021","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504709","8.6754","0.0007","13.6574","0.0011","10.1203","0.0008","90","","102.809","0.001","90","","1169.25","0.16","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,5-diammoniopentane bispentaborate","","- C5 H24 B10 N2 O20 -","- C5 H24 B10 N2 O20 -","- C10 H48 B20 N4 O40 -","2","0.5","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.0713","0.0618","","","0.1835","0.1941","","","","","","0.939","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504710","8.612","0.009","13.995","0.015","10.279","0.012","90","","104.57","0.04","90","","1199","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,6-diammoniohexane bispentaborate","","","- C6 H26 B10 N2 O20 -","- C6 H26 B10 N2 O20 -","- C12 H52 B20 N4 O40 -","2","0.5","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.1301","0.0555","","","0.1071","0.1328","","","","","","1.027","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504711","10.3871","0.001","10.4899","0.001","13.5967","0.0013","67.852","0.002","69.177","0.001","79.251","0.002","1280.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1,7-diammonioheptane octaborate","","","- C7 H32 B10 N2 O22 -","- C7 H32 B10 N2 O22 -","- C14 H64 B20 N4 O44 -","2","1","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.0658","0.0342","","","0.0787","0.0884","","","","","","0.917","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504712","9.238","0.002","14.138","0.003","10.401","0.003","90","","92.034","0.004","90","","1357.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,8-diammoniooctane bispentaborate","","","- C8 H30 B10 N2 O20 -","- C8 H30 B10 N2 O20 -","- C16 H60 B20 N4 O40 -","2","0.5","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.088","0.0529","","","0.1536","0.1716","","","","","","1.021","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504713","9.2899","0.0015","14.312","0.002","10.2478","0.0017","90","","90.962","0.003","90","","1362.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,9-diammoniononane bispentaborate","","","- C9 H32 B10 N2 O20 -","- C9 H32 B10 N2 O20 -","- C18 H64 B20 N4 O40 -","2","0.5","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.048","0.038","","","0.115","0.122","","","","","","1.027","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504714","9.3759","0.0006","14.037","0.0009","10.5878","0.0007","90","","90.072","0.001","90","","1393.45","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,10-diammoniodecane bispentaborate","","","- C10 H34 B10 N2 O20 -","- C10 H34 B10 N2 O20 -","- C20 H68 B20 N4 O40 -","2","0.5","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.0421","0.035","","","0.1191","0.132","","","","","","0.717","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504715","9.4469","0.0008","14.07","0.0012","10.6911","0.0009","90","","90.472","0.001","90","","1421","0.2","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,11-diammonioundecane bispentaborate","","","- C11 H36 B10 N2 O20 -","- C11 H36 B10 N2 O20 -","- C22 H72 B20 N4 O40 -","2","0.5","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.0822","0.0549","","","0.172","0.191","","","","","","1.024","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504716","7.2943","0.0005","9.8545","0.0007","11.6668","0.0008","94.587","0.001","97.809","0.001","91.581","0.001","827.56","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1,12-diammoniododecane bispentaborate tetrahydrate","","","- C12 H46 B10 N2 O24 -","- C12 H46 B10 N2 O24 -","- C12 H46 B10 N2 O24 -","1","0.5","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.0405","0.0377","","","0.1086","0.1115","","","","","","0.854","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504717","7.692","0.0002","31.918","0.0011","7.798","0.0003","90","","95.489","0.002","90","","1905.73","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 N6 O3 S -","- C17 H24 N6 O3 S -","- C68 H96 N24 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.71073","MoKα","","0.1356","0.0642","","","0.1118","0.1341","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504718","7.787","0.0002","14.303","0.0003","19.988","0.0005","87.132","0.001","82.817","0.001","88.024","0.001","2205.08","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H30 N6 O4 S -","- C19 H30 N6 O4 S -","- C76 H120 N24 O16 S4 -","4","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.71073","MoKα","","0.1425","0.0604","","","0.1178","0.1487","","","","","","1.003","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504719","7.366","0.0001","7.42","0.0001","39.302","0.0006","90","","90","","90","","2148.08","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N6 O3 S -","- C19 H28 N6 O3 S -","- C76 H112 N24 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.71073","MoKα","","0.0457","0.0371","","","0.0889","0.0929","","","","","","1.026","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504720","8.274","0.0003","9.941","0.0003","25.206","0.001","90","","96.242","0.001","90","","2060.95","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 N6 O3 S -","- C19 H28 N6 O3 S -","- C76 H112 N24 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.71073","MoKα","","0.141","0.0563","","","0.1179","0.148","","","","","","0.966","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504721","8.373","0.0002","9.009","0.0003","11.65","0.0003","102.601","0.002","109.008","0.002","97.34","0.002","791.81","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20.5 N3 O3.75 S -","- C16 H20.5 N3 O3.75 S -","- C32 H41 N6 O7.5 S2 -","2","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.71073","MoKα","","0.0873","0.0556","","","0.1219","0.1381","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504722","7.6824","0.0004","39.8135","0.0019","10.5148","0.0005","90","","90.351","0.001","90","","3216","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N6 O3 S -","- C13 H16 N6 O3 S -","- C104 H128 N48 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.6778","Synchrotron","","0.05","0.0431","","","0.1129","0.1164","","","","","","1.016","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504723","8.8581","0.0007","31.583","0.003","11.7241","0.001","90","","92.687","0.001","90","","3276.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N6 O3 S -","- C14 H18 N6 O3 S -","- C112 H144 N48 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.6778","Synchrotron","","0.1188","0.0715","","","0.1643","0.1826","","","","","","1.016","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504724","21.056","0.0002","7.323","0.0001","23.705","0.0002","90","","95.164","0.001","90","","3640.31","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 N12 O10 S2 -","- C30 H42 N12 O10 S2 -","- C120 H168 N48 O40 S8 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.71073","MoKα","","0.08","0.0522","","","0.1225","0.1391","","","","","","1.052","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504725","10.9424","0.0005","15.6353","0.0008","9.7921","0.0005","90","","90","","90","","1675.31","0.14","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H20 N6 O3 S -","- C15 H20 N6 O3 S -","- C60 H80 N24 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.6778","Synchrotron","","0.0471","0.0391","","","0.098","0.1018","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504726","10.0648","0.0001","13.9909","0.0001","14.805","0.0002","86.59","","78.3","","71.016","0.001","1930.38","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","octaaquoytterbium(III) chloride hydrate 4,4-bipyridine complex","","- C25 H49 Cl3 N5 O14.5 Yb -","- C25 H20 Cl3 N5 O14.5 Yb -","- C50 H40 Cl6 N10 O29 Yb2 -","2","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.7107","MoKα","","0.0589","0.0575","","","0.1614","0.1637","","","","","","1.218","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504727","14.1542","0.0001","14.838","0.0001","37.0101","0.0003","97","","93.23","","93.91","","7680.54","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","octaaquoytterbium(III) chloride hydrate 4,4-bipyridine complex","","- C95 H189 Cl12 N19 O56.5 Yb4 -","- C95 H76 Cl12 N19 O56.5 Yb4 -","- C190 H152 Cl24 N38 O113 Yb8 -","2","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.0687","0.0513","","","0.1435","0.1567","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504728","20.9619","0.0002","32.1632","0.0002","35.4247","0.0003","90","","90","","90","","23883.4","0.3","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","octaaquo-4,4'-bipyridinelanthanum(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine ethanol clathrate","","- C147 H299 B108 Co8 La2 N24 O32.5 -","- C147 H229 B108 Co6 La2 N24 O32.5 -","- C588 H916 B432 Co24 La8 N96 O130 -","4","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.1098","0.0709","","","0.1853","0.2294","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504729","21.0823","0.0001","32.108","0.0003","35.4399","0.0003","90","","90","","90","","23989.6","0.3","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","octaaquo-4,4'-bipyridinecerium(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine ethanol clathrate","","- C148 H289 B108 Ce2 Co6 N23 O28 -","- C148 H227.5 B108 Ce2 Co6 N23 O27.5 -","- C592 H910 B432 Ce8 Co24 N92 O110 -","4","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.7107","MoKα","","0.1081","0.0735","","","0.1967","0.2249","","","","","","1.025","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504730","13.6449","0.0001","15.4157","0.0001","35.635","0.0004","84.673","0.001","89.82","0.001","68.82","0.001","6955.42","0.11","150","2","150","2","","","","","","","","7","P 1","P 1","1","","pentaaquobis(4,4-bipyridine)ethanolsamarium(III) hexaaquo-(mono-protonated-4-4'-bipyridine)ethanolsamarium(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine ethanol clathrate","","- C178 H341 B144 Co8 N28 O23 Sm2 -","- C178 H299 B144 Co8 N28 O23 Sm2 -","- C178 H299 B144 Co8 N28 O23 Sm2 -","1","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.1562","0.1414","","","0.3684","0.3832","","","","","","0.994","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504731","13.6324","0.0001","25.8631","0.0002","54.1286","0.0004","97.36","0.001","95.38","0.01","94.85","0.01","18753.5","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","hexaaquobis(4,4'-bipyridine)gadolinium(III) heptaaquo-4,4'-bipyridinegadolinium(III) cobalt(III) bis(dicarbollide) hydrate 4,4-bipyridine mono-protonated 4,4-bipyridine ethanol clathrate","","- C274 H531 B216 Co12 Gd3 N42 O32 -","- C274 H481 B216 Co12 Gd3 N42 O32 -","- C548 H962 B432 Co24 Gd6 N84 O64 -","2","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.1604","0.0875","","","0.2103","0.2534","","","","","","1.024","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504732","13.6898","0.0009","28.882","0.002","54.376","0.004","97.574","0.004","95.523","0.004","94.999","0.004","21104","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","hexaaquobis(4,4'-bipyridine)terbium(III) heptaaquo-4,4'-bipyridineterbium(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine mono-protonated 4,4-bipyridine ethanol clathrate","","- C275 H531 B216 Co12 N42 O32.5 Tb3 -","- C275 H483 B216 Co12 N42 O32.5 Tb3 -","- C550 H966 B432 Co24 N84 O65 Tb6 -","2","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.1142","0.077","","","0.1716","0.1886","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504733","13.7506","0.0013","29.005","0.003","54.61","0.005","97.532","0.004","95.524","0.004","94.95","0.004","21384","4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","hexaaquobis(4,4'-bipyridine)holmium(III) heptaaquo-4,4'-bipyridineholmium(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine mono-protonated 4,4-bipyridine ethanol clathrate","","- C273 H525 B216 Co12 Ho3 N42 O31.5 -","- C273 H488.5 B216 Co12 Ho3 N42 O31.5 -","- C546 H977 B432 Co24 Ho6 N84 O63 -","2","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.183","0.1649","","","0.4087","0.4145","","","","","","2.718","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504734","16.4751","0.0012","19.6033","0.0015","37.759","0.003","90","","95.101","0.004","90","","12146.6","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","mono-protonated 4,4-bipyridine 4,4'-bipyridine carborane complex","","","- C43 H71 B33 N8 -","- C43 H71 B33 N8 -","- C344 H568 B264 N64 -","8","2","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.1993","0.1092","","","0.2822","0.3723","","","","","","1.024","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504735","13.8","0.007","6.999","0.004","9.992","0.005","90","","90","","90","","965.1","0.9","173","2","173","2","","","","","","","","4","A b a 2","A 2 -2ab","41","BPU","","","- C11 H10 N4 O -","- C11 H10 N4 O -","- C44 H40 N16 O4 -","4","","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0358","0.0349","","","0.0909","0.0917","","","","","","1.083","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504736","6.8552","0.001","19.584","0.003","9.2987","0.0014","90","","101.414","0.003","90","","1223.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BPU hydrate","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.068","0.0651","","","0.1386","0.1401","","","","","","1.291","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504737","4.7749","0.0005","30.929","0.003","8.8091","0.0009","90","","91.458","0.002","90","","1300.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BCPU","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0682","0.0611","","","0.136","0.1396","","","","","","1.222","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504738","6.8469","0.0008","7.8139","0.0009","13.091","0.0016","86.706","0.002","78.55","0.002","82.935","0.002","680.84","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","BCPU hydrate","","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C30 H24 N8 O4 -","2","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0485","0.0405","","","0.1084","0.1129","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504739","7.7431","0.001","11.0682","0.0014","21.559","0.003","90","","96.91","0.002","90","","1834.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1","","","- C13 H22 N4 O9 S Zn -","- C13 H22 N4 O9 S Zn -","- C52 H88 N16 O36 S4 Zn4 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0495","0.0486","","","0.1039","0.1044","","","","","","1.296","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504740","8.4886","0.0015","10.5837","0.0018","20.733","0.004","90","","96.619","0.003","90","","1850.3","0.6","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","2","","","- C11 H22 N4 O11 S Zn -","- C11 H21 N4 O11 S Zn -","- C44 H84 N16 O44 S4 Zn4 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0501","0.0381","","","0.0849","0.0886","","","","","","1.089","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504741","6.722","0.0009","26.649","0.004","17.515","0.002","90","","92.445","0.003","90","","3134.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","","","- C22 H20 Cu N10 O8 -","- C22 H20 Cu N10 O8 -","- C88 H80 Cu4 N40 O32 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.1144","0.0679","","","0.1625","0.1748","","","","","","1.024","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504742","9.1241","0.0009","18.1265","0.0019","19.586","0.002","90","","94.712","0.002","90","","3228.3","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4","","","- C24 H24 Cu F6 N8 O10 S2 -","- C24 H24 Cu F6 N8 O10 S2 -","- C96 H96 Cu4 F24 N32 O40 S8 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0475","0.045","","","0.1044","0.1057","","","","","","1.247","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504743","16.9462","0.0015","16.9462","0.0015","18.477","0.003","90","","90","","90","","5306.1","1.1","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","5","","","- C22 H20 Cl2 N8 O10 Zn -","- C22 H20 Cl2 N8 O10 Zn -","- C176 H160 Cl16 N64 O80 Zn8 -","8","0.5","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0654","0.0632","","","0.1404","0.1417","","","","","","1.381","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504744","23.905","0.005","13.712","0.003","15.538","0.003","90","","99.543","0.004","90","","5022.6","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","6","","","- C22 H24 Cl N8 O8 Zn0.5 -","- C22 H24 Cl N8 O8 Zn0.5 -","- C176 H192 Cl8 N64 O64 Zn4 -","8","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.063","0.0461","","","0.1163","0.1278","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504745","3.733","0.0006","12.125","0.002","16.889","0.003","90","","91.896","0.003","90","","764","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","7","","","- C15 H10 Ag N5 O4 -","- C15 H10 Ag N5 O4 -","- C30 H20 Ag2 N10 O8 -","2","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0477","0.042","","","0.0962","0.0989","","","","","","1.007","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504746","18.6418","0.0017","16.8069","0.0015","13.1229","0.0012","90","","133.038","0.002","90","","3005.1","0.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","8","","","- C31 H23 Ag N8 O5 S -","- C31 H23 Ag N8 O5 S -","- C124 H92 Ag4 N32 O20 S4 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0256","0.025","","","0.0602","0.0605","","","","","","1.074","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504747","20.195","0.002","15.8339","0.0018","16.2758","0.0019","90","","90","","90","","5204.4","1","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","Cd9L4(HL)4(bpy)4(H2bpy)(H2O)8","","","- C90 H70 Cd9 N26 O40 -","- C90 H54 Cd9 N26 O40 -","- C180 H108 Cd18 N52 O80 -","2","0.25","","Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Three 3D Coordination Polymers Constructed by Cd(II) and Zn(II) with Imidazole-4,5-Dicarboxylate and 4,4‘-Bipyridyl Building Blocks","Crystal Growth & Design","2006","6","2","564","","10.1021/cg0505158","","","0.71073","MoKα","","0.0836","0.052","","","0.1363","0.1571","","","","","","1.034","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504748","16.084","0.005","8.319","0.003","8.501","0.003","90","","90.284","0.006","90","","1137.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N6 O10 Zn3 -","- C20 H14 N6 O10 Zn3 -","- C40 H28 N12 O20 Zn6 -","2","0.5","","Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Three 3D Coordination Polymers Constructed by Cd(II) and Zn(II) with Imidazole-4,5-Dicarboxylate and 4,4‘-Bipyridyl Building Blocks","Crystal Growth & Design","2006","6","2","564","","10.1021/cg0505158","","","0.71073","MoKα","","0.034","0.0261","","","0.0634","0.0665","","","","","","1.068","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504749","11.558","0.007","11.617","0.007","11.841","0.007","64.11","0.01","81.057","0.011","72.69","0.01","1364.9","1.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H50 N12 O16 Zn3 -","- C50 H34 N12 O16 Zn3 -","- C50 H34 N12 O16 Zn3 -","1","0.5","","Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Three 3D Coordination Polymers Constructed by Cd(II) and Zn(II) with Imidazole-4,5-Dicarboxylate and 4,4‘-Bipyridyl Building Blocks","Crystal Growth & Design","2006","6","2","564","","10.1021/cg0505158","","","0.71073","MoKα","","0.1052","0.0602","","","0.1649","0.1911","","","","","","1.076","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504750","15.2548","0.001","15.9803","0.001","7.8589","0.0005","90","","91.344","0.001","90","","1915.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-butyl-4-(3-dimethylamino-propylamino)-1,8-naphthalimide","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C84 H116 N12 O12 -","4","1","","Banthia, Sandip; Samanta, Anunay","Long and Short Brick Network Architecture: Role of Water Molecules Acting as Three-Connecting Spacers","Crystal Growth & Design","2006","6","2","360","","10.1021/cg050517s","","","0.71073","MoKα","","0.0956","0.064","","","0.1406","0.157","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504751","9.15","0.003","29.914","0.009","6.871","0.002","90","","95.43","0.005","90","","1872.2","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C80 H100 N12 O8 -","4","1","","Banthia, Sandip; Samanta, Anunay","Long and Short Brick Network Architecture: Role of Water Molecules Acting as Three-Connecting Spacers","Crystal Growth & Design","2006","6","2","360","","10.1021/cg050517s","","","0.71073","MoKα","","0.1033","0.0699","","","0.2018","0.2232","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504752","20.735","0.005","9.323","0.003","20.978","0.005","90","","95.8","0.04","90","","4034.5","1.9","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 Cu Mo0.5 N8 O3 -","- C14 H30 Cu Mo0.5 N8 O3 -","- C112 H240 Cu8 Mo4 N64 O24 -","8","1","","Mukhopadhyay, Uday; Bernal, Ivan","A Self-Assembled, Decameric Water Cluster Stabilized by a Cyano-Bridged Copper(II) Complex","Crystal Growth & Design","2006","6","2","363","","10.1021/cg050537u","","x-ray","0.71073","MoKα","","0.0421","0.0269","","","0.062","0.0673","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504753","8.04","0.001","15.799","0.002","12.103","0.001","90","","105.44","0.01","90","","1481.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N4 O7 -","- C13 H14 N4 O7 -","- C52 H56 N16 O28 -","4","1","","Akhriff, Youness; Server-Carrió, Juan; García-Lozano, Julia; Folgado, José Vicente; Sancho, Amparo; Escrivà, Emilio; Vitoria, Pablo; Soto, Lucía","Supramolecular Structures from Three New Molecular Building Blocks Based on the Protonation/Deprotonation of 3,3-Bis(2-imidazolyl)propionic Acid (HBIP): [H3BIP](C4O4)·H2O, [Cu(HBIP)2](HC4O4)2, and [Cu(BIP)2]·2H2O","Crystal Growth & Design","2006","6","5","1124","","10.1021/cg050543q","","","0.7107","MoKα","","0.1112","0.0483","","","0.0919","0.1223","","","","","","0.959","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504754","7.588","0.001","9.085","0.001","11.739","0.001","68.41","0.01","71.15","0.01","75.84","0.01","704.81","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cu N8 O12 -","- C26 H22 Cu N8 O12 -","- C26 H22 Cu N8 O12 -","1","0.5","","Akhriff, Youness; Server-Carrió, Juan; García-Lozano, Julia; Folgado, José Vicente; Sancho, Amparo; Escrivà, Emilio; Vitoria, Pablo; Soto, Lucía","Supramolecular Structures from Three New Molecular Building Blocks Based on the Protonation/Deprotonation of 3,3-Bis(2-imidazolyl)propionic Acid (HBIP): [H3BIP](C4O4)·H2O, [Cu(HBIP)2](HC4O4)2, and [Cu(BIP)2]·2H2O","Crystal Growth & Design","2006","6","5","1124","","10.1021/cg050543q","","","0.7107","MoKα","","0.0347","0.0294","","","0.073","0.078","","","","","","1.049","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504755","8.978","0.001","10.047","0.001","12.531","0.001","90.29","0.01","106.54","0.01","105.85","0.01","1038.14","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cu N8 O6 -","- C18 H22 Cu N8 O6 -","- C36 H44 Cu2 N16 O12 -","2","1","","Akhriff, Youness; Server-Carrió, Juan; García-Lozano, Julia; Folgado, José Vicente; Sancho, Amparo; Escrivà, Emilio; Vitoria, Pablo; Soto, Lucía","Supramolecular Structures from Three New Molecular Building Blocks Based on the Protonation/Deprotonation of 3,3-Bis(2-imidazolyl)propionic Acid (HBIP): [H3BIP](C4O4)·H2O, [Cu(HBIP)2](HC4O4)2, and [Cu(BIP)2]·2H2O","Crystal Growth & Design","2006","6","5","1124","","10.1021/cg050543q","","","0.7107","MoKα","","0.067","0.0488","","","0.1344","0.1563","","","","","","1.015","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504756","8.1699","0.0008","15.8073","0.0013","11.2115","0.0011","90","","106.481","0.003","90","","1388.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 La2 N2 O22 P4 -","- C12 H22 La2 N2 O22 P4 -","- C24 H44 La4 N4 O44 P8 -","2","0.5","","Ying, Shao-Ming; Mao, Jiang-Gao","Introducing a Second Ligand: New Route to Luminescent Lanthanide Polyphosphonates","Crystal Growth & Design","2006","6","4","964","","10.1021/cg050554j","","","0.71073","MoKα","","0.0528","0.0395","","","0.0761","0.081","","","","","","1.101","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504757","9.5478","0.0009","9.729","0.0009","9.7786","0.001","106.749","0.002","98.668","0.001","110.262","0.002","783.61","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H34 N2 Nd2 O26 P4 -","- C12 H34 N2 Nd2 O26 P4 -","- C12 H34 N2 Nd2 O26 P4 -","1","0.5","","Ying, Shao-Ming; Mao, Jiang-Gao","Introducing a Second Ligand: New Route to Luminescent Lanthanide Polyphosphonates","Crystal Growth & Design","2006","6","4","964","","10.1021/cg050554j","","","0.71073","MoKα","","0.0438","0.0356","","","0.0587","0.0622","","","","","","1.094","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504758","14.281","0.0006","21.734","0.0008","28.367","0.001","90","","109.804","0.001","90","","8283.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ruthenium polypyridyl complex","","","- C69.5 H75 Cl4 N20 O14 Ru2 -","- C69.5 H63 Cl4 N20 O14 Ru2 -","- C278 H252 Cl16 N80 O56 Ru8 -","4","1","","Deshpande, Megha S.; Kumbhar, Avinash S.; Puranik, Vedavati G.; Selvaraj, K.","Supramolecular Self-Assembled Ruthenium−Polypyridyl Framework Encapsulating Discrete Water Cluster","Crystal Growth & Design","2006","6","3","743","","10.1021/cg0505719","","","0.71073","MoKα","","0.094","0.0643","","","0.1791","0.1974","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504759","9.0546","0.0002","9.3174","0.0002","11.7975","0.0003","88.146","0.001","72.175","0.001","70.831","0.001","892.41","0.04","293","","293","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H17 O5 P S -","- C19 H17 O5 P S -","- C38 H34 O10 P2 S2 -","2","1","","Marín-García, Liliana; Peña-Hueso, Adrián; Flores-Parra, Angelina; Contreras, Rosalinda","2-Anisyl-5-sulfonyldiphenylphosphine Oxide, Solid-State Structure Bearing Covalent Homonuclear Negative and Positive Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2006","6","4","969","","10.1021/cg050577y","","x-ray","0.7107","MoKα","","0.055","0.0334","","0.0525","0.0411","0.0411","","","","","","1.1005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504760","9.4067","0.0019","24.33","0.005","11.965","0.002","90","","98.98","0.03","90","","2704.8","0.9","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C45 H36 Ag2 Cl5 F6 N8 O8 -","- C45 H36 Ag2 Cl5 F6 N8 O8 -","- C90 H72 Ag4 Cl10 F12 N16 O16 -","2","0.25","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)","Crystal Growth & Design","2006","6","4","974","","10.1021/cg050578q","","","0.71073","MoKα","","0.0711","0.0552","","","0.1576","0.1675","","","","","","1.086","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504761","10.719","0.002","10.728","0.002","18.594","0.004","84.66","0.03","84.95","0.03","79.61","0.03","2088.5","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Ag2 F6 N8 O10 S2 -","- C38 H28 Ag2 F6 N8 O10 S2 -","- C76 H56 Ag4 F12 N16 O20 S4 -","2","1","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)","Crystal Growth & Design","2006","6","4","974","","10.1021/cg050578q","","","0.71073","MoKα","","0.0892","0.0566","","","0.128","0.1525","","","","","","0.903","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504762","19.253","0.004","24.785","0.005","9.6781","0.0019","90","","90","","90","","4618.3","1.6","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H22 Ag N5 O7 -","- C20 H22 Ag N5 O7 -","- C160 H176 Ag8 N40 O56 -","8","1","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)","Crystal Growth & Design","2006","6","4","974","","10.1021/cg050578q","","","0.71073","MoKα","","0.0962","0.0492","","","0.1271","0.1494","","","","","","1.056","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504763","9.3701","0.0019","12.076","0.002","12.401","0.003","88.01","0.03","85.14","0.03","73.19","0.03","1338.3","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42.5 H35 Ag2 Cl3 F6 N8 O9 -","- C42.5 H35 Ag2 Cl3 F6 N8 O9 -","- C42.5 H35 Ag2 Cl3 F6 N8 O9 -","1","0.5","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)","Crystal Growth & Design","2006","6","4","974","","10.1021/cg050578q","","","0.71073","MoKα","","0.0781","0.0612","","","0.17","0.1822","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504764","11.47","0.002","19.039","0.004","9.852","0.002","90","","99.69","0.03","90","","2120.8","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Ag F3 N4 O5 S -","- C19 H14 Ag F3 N4 O5 S -","- C76 H56 Ag4 F12 N16 O20 S4 -","4","1","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)","Crystal Growth & Design","2006","6","4","974","","10.1021/cg050578q","","","0.71073","MoKα","","0.0912","0.0477","","","0.0981","0.1148","","","","","","0.973","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504765","8.7166","0.0017","13.711","0.003","9.2663","0.0019","90","","112.1","0.03","90","","1026.1","0.4","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H14 Ag F6 N4 O2 P -","- C18 H14 Ag F6 N4 O2 P -","- C36 H28 Ag2 F12 N8 O4 P2 -","2","1","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)","Crystal Growth & Design","2006","6","4","974","","10.1021/cg050578q","","","0.71073","MoKα","","0.0552","0.0466","","","0.1168","0.1237","","","","","","1.038","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504766","10.804","0.002","10.741","0.003","14.05","0.004","87.357","0.011","88.031","0.012","68.716","0.016","1517.3","0.7","110","","110","","","","","","","","local laboratory","5","P -1","-P 1","2","","","","- C30 H36.5 Cu2 N2 O11.25 -","- C30 H34 Cu2 N2 O11.25 -","- C60 H68 Cu4 N4 O22.5 -","2","1","","Chen, Banglin; Fronczek, Frank R.; Courtney, Brandy H.; Zapata, Fatima","α-Po Nets of Copper(II)-trans-1,4-Cyclohexanedicarboxylate Frameworks Based on a Paddle-Wheel Building Block and Its Enlarged Dimer","Crystal Growth & Design","2006","6","4","825","","10.1021/cg050585e","","","0.71073","MoKα","","0.1558","0.0825","","","0.1891","0.2203","","","","","","1.058","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504767","10.708","0.004","10.822","0.005","11.457","0.006","111.84","0.02","93.35","0.03","113.52","0.03","1096.1","1","110","","110","","","","","","","","local laboratory","5","P -1","-P 1","2","","","","- C44 H50 Cu4 N2 O16 -","- C44 H50 Cu4 N2 O16 -","- C44 H50 Cu4 N2 O16 -","1","0.5","","Chen, Banglin; Fronczek, Frank R.; Courtney, Brandy H.; Zapata, Fatima","α-Po Nets of Copper(II)-trans-1,4-Cyclohexanedicarboxylate Frameworks Based on a Paddle-Wheel Building Block and Its Enlarged Dimer","Crystal Growth & Design","2006","6","4","825","","10.1021/cg050585e","","","0.71073","MoKα","","0.145","0.063","","","0.097","0.119","","","","","","1.014","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504768","18.051","0.004","21.21","0.005","17.979","0.004","90","","90","","90","","6883","3","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H38 Cu2 N8 O15 -","- C26 H30 Cu2 N8 O15 -","- C208 H240 Cu16 N64 O120 -","8","1","","Lou, Ben-Yong; Jiang, Fei-Long; Wu, Ben-Lai; Yuan, Da-Qiang; Hong, Mao-Chun","From Helical Array to Porous Architecture: Exploring the Use of Side Chains of Amino Acids to Engineer 1D Infinite Coordination Polymeric Chain into Porous Frameworks","Crystal Growth & Design","2006","6","4","989","","10.1021/cg050589j","","","0.71073","MoKα","","0.0659","0.0587","","","0.131","0.1348","","","","","","1.163","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504769","22.8992","0.0013","24.819","0.0011","9.0518","0.0005","90","","94.305","0.002","90","","5129.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H47 Cu2 N7 O13 -","- C38 H36 Cu2 N7 O13 -","- C152 H144 Cu8 N28 O52 -","4","0.5","","Lou, Ben-Yong; Jiang, Fei-Long; Wu, Ben-Lai; Yuan, Da-Qiang; Hong, Mao-Chun","From Helical Array to Porous Architecture: Exploring the Use of Side Chains of Amino Acids to Engineer 1D Infinite Coordination Polymeric Chain into Porous Frameworks","Crystal Growth & Design","2006","6","4","989","","10.1021/cg050589j","","","0.71073","MoKα","","0.09","0.0744","","","0.2368","0.2522","","","","","","1.141","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504770","9.1651","0.0013","11.0434","0.0016","11.1107","0.0016","115.76","0.002","94.814","0.003","111.369","0.002","903","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H30 N O4 -","- C18 H30 N O4 -","- C36 H60 N2 O8 -","2","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Noncovalent Syntheses of Supramolecular Organo Gelators","Crystal Growth & Design","2006","6","3","763","","10.1021/cg050590i","","","0.71073","MoKα","","0.0599","0.051","","","0.1678","0.1879","","","","","","1.285","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504771","11.7773","0.0008","21.0614","0.0014","13.405","0.0009","90","","115.346","0.001","90","","3005","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H56 N2 O5 -","- C30 H56 N2 O5 -","- C120 H224 N8 O20 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Noncovalent Syntheses of Supramolecular Organo Gelators","Crystal Growth & Design","2006","6","3","763","","10.1021/cg050590i","","","0.71073","MoKα","","0.0352","0.0324","","","0.0832","0.0852","","","","","","1.041","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504772","8.6185","0.0009","20.265","0.002","10.3832","0.0011","90","","97.464","0.002","90","","1798.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Noncovalent Syntheses of Supramolecular Organo Gelators","Crystal Growth & Design","2006","6","3","763","","10.1021/cg050590i","","","0.71073","MoKα","","0.0441","0.0346","","","0.1013","0.1249","","","","","","1.199","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504773","14.9159","0.0017","9.1832","0.0011","23.998","0.003","90","","107.853","0.002","90","","3128.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 N2 O6 -","- C34 H42 N2 O6 -","- C136 H168 N8 O24 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Noncovalent Syntheses of Supramolecular Organo Gelators","Crystal Growth & Design","2006","6","3","763","","10.1021/cg050590i","","","0.71073","MoKα","","0.0876","0.0719","","","0.1965","0.2201","","","","","","1.074","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504774","10.676","0.003","10.22","0.003","21.095","0.005","90","","100.699","0.006","90","","2261.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cu N2 O11 S2 -","- C14 H12 Cu N2 O11 S2 -","- C56 H48 Cu4 N8 O44 S8 -","4","1","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; García-Martínez, Emilia; Lago, Ana B.; Vázquez, Miguel; Vázquez-López, Ezequiel M.","Supramolecular Aggregation of Hexameric Water Clusters into a 2D Water Polymer Containing (H2O)18Holes","Crystal Growth & Design","2006","6","3","629","","10.1021/cg0505923","","","0.71073","MoKα","","0.2622","0.0704","","","0.1492","0.1947","","","","","","0.832","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504775","9.8497","0.0008","17.9016","0.0015","14.5351","0.0012","90","","90.333","0.001","90","","2562.9","0.4","188","2","188","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N2 O1.5 P2 S -","- C29 H26 N2 O1.5 P2 S -","- C116 H104 N8 O6 P8 S4 -","4","1","","Kühl, Olaf; Walfort, Bernhard; Rüffer, Tobias","Supramolecular Recognition Patterns − A Cause for Preferred Isomers in Phosphanylated 2-Amino-Thiazole","Crystal Growth & Design","2006","6","2","366","","10.1021/cg050603s","","","0.71073","MoKα","","0.0598","0.0439","","","0.114","0.1228","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504776","7.7736","0.0004","11.8133","0.0007","16.2283","0.0009","90","","103.549","0.001","90","","1448.8","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N2 P S -","- C15 H13 N2 P S -","- C60 H52 N8 P4 S4 -","4","1","","Kühl, Olaf; Walfort, Bernhard; Rüffer, Tobias","Supramolecular Recognition Patterns − A Cause for Preferred Isomers in Phosphanylated 2-Amino-Thiazole","Crystal Growth & Design","2006","6","2","366","","10.1021/cg050603s","","","0.71073","MoKα","","0.0448","0.0382","","","0.1045","0.1119","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504777","42.7088","0.0015","4.0066","0.0002","11.6089","0.0006","90","","90.411","0.002","90","","1986.43","0.16","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H10 Br N O2 -","- C9 H10 Br N O2 -","- C72 H80 Br8 N8 O16 -","8","2","","Chowdhury, Masrur; Kariuki, Benson M.","Supramolecular Assembly in Cinnamate Structures: The Influence of the Ammonium Ion and Halogen Interactions","Crystal Growth & Design","2006","6","3","774","","10.1021/cg050604k","","","1.54178","CuKα","","0.0463","0.044","","","0.1112","0.1128","","","","","","1.1","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504778","5.5664","0.0003","40.672","0.002","3.9542","0.0003","90","","90","","90","","895.22","0.09","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H17 Br2 N O4 -","- C18 H17 Br2 N O4 -","- C36 H34 Br4 N2 O8 -","2","0.5","","Chowdhury, Masrur; Kariuki, Benson M.","Supramolecular Assembly in Cinnamate Structures: The Influence of the Ammonium Ion and Halogen Interactions","Crystal Growth & Design","2006","6","3","774","","10.1021/cg050604k","","","1.54178","CuKα","","0.0409","0.0404","","","0.0971","0.0973","","","","","","1.341","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504779","11.6704","0.0009","3.9682","0.0004","41.889","0.003","90","","90","","90","","1939.9","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C72 H80 Cl8 N8 O16 -","8","2","","Chowdhury, Masrur; Kariuki, Benson M.","Supramolecular Assembly in Cinnamate Structures: The Influence of the Ammonium Ion and Halogen Interactions","Crystal Growth & Design","2006","6","3","774","","10.1021/cg050604k","","","1.54178","CuKα","","0.1201","0.0739","","","0.1699","0.1949","","","","","","1.062","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504780","39.987","0.002","5.9313","0.0003","7.5657","0.0004","90","","94.379","0.004","90","","1789.16","0.16","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cl2 N O4 -","- C18 H17 Cl2 N O4 -","- C72 H68 Cl8 N4 O16 -","4","0.5","","Chowdhury, Masrur; Kariuki, Benson M.","Supramolecular Assembly in Cinnamate Structures: The Influence of the Ammonium Ion and Halogen Interactions","Crystal Growth & Design","2006","6","3","774","","10.1021/cg050604k","","","1.54178","CuKα","","0.0849","0.0763","","","0.1971","0.2054","","","","","","1.077","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504781","7.2603","0.0013","10.3523","0.0018","18.692","0.003","90","","94.087","0.003","90","","1401.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H17 Ca O13 P -","- C7 H17 Ca O13 P -","- C28 H68 Ca4 O52 P4 -","4","1","","Demadis, Konstantinos D.; Lykoudis, Panagiotis; Raptis, Raphael G.; Mezei, Gellert","Phosphonopolycarboxylates as Chemical Additives for Calcite Scale Dissolution and Metallic Corrosion Inhibition Based on a Calcium-Phosphonotricarboxylate Organic−Inorganic Hybrid","Crystal Growth & Design","2006","6","5","1064","","10.1021/cg050620h","","","0.71073","MoKα","","0.0926","0.0434","","","0.0729","0.0832","","","","","","0.902","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504782","12.8446","0.0008","15.0021","0.0011","21.8715","0.0016","96.167","0.003","97.67","0.004","101.066","0.004","4060.7","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H30 N4 O8 -","- C48 H30 N4 O8 -","- C96 H60 N8 O16 -","2","1","","George, Sumod; Goldberg, Israel","Self-Assembly of Supramolecular Porphyrin Arrays by Hydrogen Bonding: New Structures and Reflections","Crystal Growth & Design","2006","6","3","755","","10.1021/cg050624m","","","0.71073","MoKα","","0.1373","0.0732","","","0.16","0.171","","","","","","1.182","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504783","9.4265","0.0001","15.2987","0.0003","20.0481","0.0004","100.103","0.001","97.252","0.0011","107.294","0.0011","2668.31","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H35 Cl8 Mn N4 O10 -","- C52 H35 Cl8 Mn N4 O10 -","- C104 H70 Cl16 Mn2 N8 O20 -","2","1","","George, Sumod; Goldberg, Israel","Self-Assembly of Supramolecular Porphyrin Arrays by Hydrogen Bonding: New Structures and Reflections","Crystal Growth & Design","2006","6","3","755","","10.1021/cg050624m","","","0.71073","MoKα","","0.0773","0.0621","","","0.1393","0.1467","","","","","","1.137","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504784","18.6724","0.0006","18.6724","0.0006","16.8341","0.0005","90","","90","","90","","5869.4","0.3","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C50 H38 Mn N4 O14 P -","- C50 H36 Mn N4 O14 P -","- C200 H144 Mn4 N16 O56 P4 -","4","0.5","","George, Sumod; Goldberg, Israel","Self-Assembly of Supramolecular Porphyrin Arrays by Hydrogen Bonding: New Structures and Reflections","Crystal Growth & Design","2006","6","3","755","","10.1021/cg050624m","","","0.71073","MoKα","","0.0912","0.0663","","","0.1676","0.1802","","","","","","0.978","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504785","13.9892","0.0005","13.9892","0.0005","9.384","0.0003","90","","90","","90","","1836.43","0.11","110","2","110","2","","","","","","","","6","I 4","I 4","79","","","","- C44 H30 Cl Mn N4 O5 -","- C44 H30 Cl Mn N4 O5 -","- C88 H60 Cl2 Mn2 N8 O10 -","2","0.25","","George, Sumod; Goldberg, Israel","Self-Assembly of Supramolecular Porphyrin Arrays by Hydrogen Bonding: New Structures and Reflections","Crystal Growth & Design","2006","6","3","755","","10.1021/cg050624m","","","0.71073","MoKα","","0.0483","0.0426","","","0.1134","0.118","","","","","","1.056","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504786","8.082","0.005","8.805","0.005","15.276","0.005","94.905","0.005","94.934","0.005","91.29","0.005","1078.6","1","168","2","168","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H36 Ag Cl N4 O6 S4 -","- C48 H36 Ag Cl N4 O6 S4 -","- C48 H36 Ag Cl N4 O6 S4 -","1","0.5","","Hanton, Lyall R.; Young, Aidan G.","Square-Planar Silver(I)-Containing Polymers Formed from π-Stacked Entities","Crystal Growth & Design","2006","6","4","833","","10.1021/cg0506267","","","0.71069","MoKα","","0.0486","0.0324","","","0.0779","0.0812","","","","","","0.953","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504787","7.891","0.005","8.746","0.005","15.204","0.005","96.326","0.005","96.211","0.005","90.67","0.005","1036.5","0.9","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Ag N5 O5 S4 -","- C48 H36 Ag N5 O5 S4 -","- C48 H36 Ag N5 O5 S4 -","1","0.5","","Hanton, Lyall R.; Young, Aidan G.","Square-Planar Silver(I)-Containing Polymers Formed from π-Stacked Entities","Crystal Growth & Design","2006","6","4","833","","10.1021/cg0506267","","","0.71069","MoKα","","0.0469","0.0329","","","0.0702","0.0733","","","","","","1.432","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504788","9.2172","0.0007","16.0864","0.0012","9.7392","0.0007","90","","115.688","0.001","90","","1301.33","0.17","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H16 Mg N O12 P3 -","- C3 H16 Mg N O12 P3 -","- C12 H64 Mg4 N4 O48 P12 -","4","1","","Demadis, Konstantinos D.; Katarachia, Stella D.; Raptis, Raphael G.; Zhao, Hong; Baran, Peter","Alkaline Earth Metal Organotriphosphonates: Inorganic−Organic Polymeric Hybrids from Dication−Dianion Association","Crystal Growth & Design","2006","6","4","836","","10.1021/cg0506368","","","0.71073","MoKα","","0.0366","0.0285","","","0.0791","0.0829","","","","","","1.035","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504789","8.0693","0.0016","13.85","0.003","9.985","0.003","90","","105.765","0.009","90","","1073.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H10 N O9 P3 Sr -","- C3 H10 N O9 P3 Sr -","- C12 H40 N4 O36 P12 Sr4 -","4","1","","Demadis, Konstantinos D.; Katarachia, Stella D.; Raptis, Raphael G.; Zhao, Hong; Baran, Peter","Alkaline Earth Metal Organotriphosphonates: Inorganic−Organic Polymeric Hybrids from Dication−Dianion Association","Crystal Growth & Design","2006","6","4","836","","10.1021/cg0506368","","","0.71073","MoKα","","0.0254","0.023","","","0.0617","0.0626","","","","","","1.075","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504790","25.776","0.002","8.4636","0.0007","18.9116","0.0015","90","","131.156","0.001","90","","3106.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H30 N O2.5 -","- C15 H30 N O2.5 -","- C120 H240 N8 O20 -","8","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.035","0.0336","","","0.0896","0.0914","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504791","19.2547","0.0015","8.8429","0.0007","18.785","0.0014","90","","92.582","0.001","90","","3195.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 N O2 -","- C16 H31 N O2 -","- C128 H248 N8 O16 -","8","2","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.0402","0.0377","","","0.1024","0.1054","","","","","","1.036","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504792","23.767","0.0016","8.4456","0.0006","25.2049","0.0017","90","","96.288","0.001","90","","5028.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H99 N3 O6 -","- C51 H99 N3 O6 -","- C204 H396 N12 O24 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.0876","0.0672","","","0.1717","0.1945","","","","","","1.001","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504793","19.321","0.003","8.6155","0.0014","23.943","0.004","90","","110.416","0.003","90","","3735.2","1","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C36 H70 N2 O5 -","- C36 H70 N2 O5 -","- C144 H280 N8 O20 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.0583","0.0525","","","0.1477","0.1549","","","","","","1.053","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504794","18.61","","8.949","","25.27","","90","","90","","90","","4208.49","","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H39 N O2 -","- C20 H39 N O2 -","- C160 H312 N8 O16 -","8","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.1477","0.1018","","","0.2644","0.2973","","","","","","1.054","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504795","19.004","","8.358","","27.425","","90","","96.51","","90","","4327.97","","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H86 N2 O4 -","- C44 H86 N2 O4 -","- C176 H344 N8 O16 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.0506","0.0418","","","0.1051","0.1115","","","","","","1.029","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504796","14.754","0.008","8.789","0.005","19.241","0.011","90","","103.093","0.01","90","","2430","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H45 N O2 -","- C23 H45 N O2 -","- C92 H180 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.146","0.1004","","","0.2496","0.2813","","","","","","1.112","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504797","5.594","0.006","11.015","0.013","23.69","0.03","96.13","0.02","90.55","0.02","99.05","0.03","1433","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H55 N O2 -","- C28 H55 N O2 -","- C56 H110 N2 O4 -","2","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.2098","0.1055","","","0.2411","0.3031","","","","","","0.816","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504798","5.642","0.002","10.995","0.004","24.187","0.009","97.788","0.008","90.533","0.008","96.485","0.009","1476.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H57 N O2 -","- C29 H57 N O2 -","- C58 H114 N2 O4 -","2","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.1513","0.0719","","","0.1505","0.184","","","","","","1.019","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504799","7.7389","0.0009","10.602","0.001","20.719","0.002","96.054","0.006","90.734","0.003","103.936","0.006","1639.4","0.3","173","2","446","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 K2 N4 O48 Zn7 -","- C48 H60 K2 N4 O48 Zn7 -","- C48 H60 K2 N4 O48 Zn7 -","1","0.5","","Xu, Yanqing; Yuan, Daqiang; Wu, Benlai; Han, Lei; Wu, Mingyan; Jiang, Feilong; Hong, Maochun","1D Tube, 2D Layer, and 3D Framework Derived from a New Series of Metal(II)−5-Aminodiacetic Isophthalate Coordination Polymers","Crystal Growth & Design","2006","6","5","1168","","10.1021/cg0506774","","","0.71073","MoKα","","0.1185","0.07","","","0.1273","0.1527","","","","","","1.074","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504800","12.941","0.003","11.789","0.002","22.401","0.005","90","","101.37","0.03","90","","3350.5","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,3-bis(3-pyridyl)ureahydrate(3:4)","1,3-bis(3-pyridyl)ureahydrate(3:4)","","- C11 H12.66667 N4 O2.33333 -","- C11 H12.6667 N4 O2.33333 -","- C132 H152 N48 O28 -","12","1.5","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures of N,N'-Bis(3-pyridyl)urea. Why Is the N-H...O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.0581","0.0449","","","0.1171","0.1307","","","","","","1.101","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4504801","13.707","0.003","7.014","0.0014","10.006","0.002","90","","90","","90","","962","0.3","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","1,3-bis(3-pyridyl)urea","1,3-bis(3-pyridyl)urea","","- C11 H10 N4 O -","- C11 H10 N4 O -","- C44 H40 N16 O4 -","4","","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.0498","0.0437","","","0.1021","0.1068","","","","","","1.135","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504802","6.7932","0.0008","19.56","0.002","9.2746","0.0011","90","","101.26","0.002","90","","1208.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-bis(3-pyridyl)ureadihydrate","1,3-bis(3-pyridyl)ureadihydrate","","- C11 H14 N4 O3 -","- C11 H14 N4 O3.007 -","- C44 H56 N16 O12.028 -","4","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.0801","0.0499","","","0.0984","0.1097","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504803","6.8138","0.0005","19.586","0.011","9.292","0.004","90","","101.24","0.03","90","","1216.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-bis(3-pyridyl)urea dihydrate","1,3-bis(3-pyridyl)urea dihydrate","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.086","0.0522","","","0.1203","0.1409","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4504804","7.404","0.002","8.068","0.004","13.562","0.003","104.55","0.03","98.02","0.02","95.52","0.03","769.2","0.5","298","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-bis(3-pyridyl)urea+Fumaricacid+water","N,N'-bis(3-pyridyl)urea+Fumaricacid+water","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C30 H32 N8 O12 -","2","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.1531","0.0651","","","0.1682","0.2059","","","","","","1.125","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504805","38.093","0.008","5.282","0.0011","16.428","0.003","90","","109.35","0.03","90","","3118.7","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N,N'-bis(3-pyridyl)urea+succinicacid","N,N'-bis(3-pyridyl)urea+succinicacid","","- C15 H16 N4 O5 -","- C15 H16 N4 O5 -","- C120 H128 N32 O40 -","8","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.1055","0.0676","","","0.1546","0.2028","","","","","","1.12","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504806","7.9686","0.0007","12.2243","0.0011","24.538","0.002","90","","90.65","0.002","90","","2390.1","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N,N'-bis(3-pyridyl-N-oxide)urea dihydrate","N,N'-bis(3-pyridyl-N-oxide)urea dihydrate","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C88 H96 N32 O32 -","8","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.0559","0.0462","","","0.1045","0.1097","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504807","11.7789","0.0013","9.4606","0.001","18.262","0.002","90","","90","","90","","2035","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(3-pyridyl)-N'-phenylurea","N-(3-pyridyl)-N'-phenylurea","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C96 H88 N24 O8 -","8","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.0445","0.0425","","","0.1024","0.1038","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504808","7.7439","0.0015","10.464","0.002","10.683","0.002","101.42","0.03","100.55","0.03","99.28","0.03","816.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,3-bis(3-N-methylpyridinium)urea diiodide","","- C13 H16 I2 N4 O -","- C13 H16 I2 N4 O -","- C26 H32 I4 N8 O2 -","2","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.0203","0.0194","","","0.049","0.0495","","","","","","1.104","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504809","10.7494","0.0002","12.7727","0.0003","22.2935","0.0005","95.936","0.001","97.949","0.001","111.018","0.001","2790.74","0.11","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","Lithium 4-Br-2,6-Dimethylphenoxide Dioxane","","","- C50 H68 Br4 Li4 O13 -","- C50 H68 Br4 Li4 O13 -","- C100 H136 Br8 Li8 O26 -","2","1","","Morris, J. Jacob; Noll, Bruce C.; Henderson, Kenneth W.","Assembly of 63,66-Pillared Metal−Organic Bilayers and Diamondoid Lattices Using Molecular Li2O2Ring Dimers as Secondary Building Units","Crystal Growth & Design","2006","6","5","1071","","10.1021/cg0600187","","x-ray","0.71073","MoKα","","0.0343","0.0267","","","0.0657","0.0686","","","","","","1.036","","","","has coordinates,has disorder","179583","2020-10-21","18:00:00",""
"4504810","18.492","0.0005","18.492","0.0005","28.562","0.001","90","","90","","90","","9766.9","0.5","100","2","100","2","","","","","","","Synthesized","5","I -4 2 d","I -4 2bw","122","Lithium 4-Br,2,6-Dimethylphenoxide Dioxolane","","","- C22 H28 Br2 Li2 O6 -","- C22 H28 Br2 Li2 O6 -","- C352 H448 Br32 Li32 O96 -","16","1","","Morris, J. Jacob; Noll, Bruce C.; Henderson, Kenneth W.","Assembly of 63,66-Pillared Metal−Organic Bilayers and Diamondoid Lattices Using Molecular Li2O2Ring Dimers as Secondary Building Units","Crystal Growth & Design","2006","6","5","1071","","10.1021/cg0600187","","x-ray","0.71073","MoKα","","0.0322","0.0239","","","0.0456","0.0472","","","","","","0.986","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504811","20.952","0.008","18.617","0.007","19.2","0.007","90","","91.463","0.007","90","","7487","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H98 N8 O26 -","- C68 H98 N8 O26 -","- C272 H392 N32 O104 -","4","0.5","","Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Formation of a Decameric Water Ring in a Cryptand−Phthalic Acid Supramolecular Adduct","Crystal Growth & Design","2006","6","5","1074","","10.1021/cg0600445","","","0.71073","MoKα","","0.1284","0.0541","","","0.139","0.1781","","","","","","1.019","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504812","20.714","0.002","18.508","0.002","19.115","0.002","90","","91.327","0.002","90","","7326.2","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H99.33 N8 O26.67 -","- C68 H99.32 N8 O26.66 -","- C272 H397.28 N32 O106.64 -","4","0.5","","Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Formation of a Decameric Water Ring in a Cryptand−Phthalic Acid Supramolecular Adduct","Crystal Growth & Design","2006","6","5","1074","","10.1021/cg0600445","","","0.71073","MoKα","","0.0564","0.0401","","","0.1005","0.1112","","","","","","1.031","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504813","11.436","0.004","5.64","0.002","26.449","0.009","90","","99.252","0.005","90","","1683.7","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-bromo-phenylacetonitrile oxime)2, 1,4-di[(1-benzimidazolyl)methyl]benzene","","- C38 H28 Br2 N8 O2 -","- C38 H28 Br2 N8 O2 -","- C76 H56 Br4 N16 O4 -","2","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanophenyloximes: Reliable and Versatile Tools for Hydrogen-Bond Directed Supramolecular Synthesis of Cocrystals","Crystal Growth & Design","2006","6","4","1033","","10.1021/cg0600492","","","0.71073","MoKα","","0.0769","0.0583","","","0.1382","0.1462","","","","","","0.953","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504814","12.9436","0.0005","5.1863","0.0002","21.6419","0.0009","90","","93.45","0.001","90","","1450.17","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-bromo-phenylacetonitrile oxime)2, 1,4-di[(1-imidazolyl)methyl]benzene","","- C30 H24 Br2 N8 O2 -","- C30 H24 Br2 N8 O2 -","- C60 H48 Br4 N16 O4 -","2","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanophenyloximes: Reliable and Versatile Tools for Hydrogen-Bond Directed Supramolecular Synthesis of Cocrystals","Crystal Growth & Design","2006","6","4","1033","","10.1021/cg0600492","","","0.71073","MoKα","","0.0271","0.0245","","","0.0688","0.0703","","","","","","1.048","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504815","7.436","0.0009","19.613","0.002","12.5107","0.0015","90","","107.063","0.002","90","","1744.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-bromo-PhC(CN)(=NOH))2, 1,4-di[(2-methyl-1-benzimidazolyl)methyl]benzene","","- C40 H32 Br2 N8 O2 -","- C40 H32 Br2 N8 O2 -","- C80 H64 Br4 N16 O4 -","2","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanophenyloximes: Reliable and Versatile Tools for Hydrogen-Bond Directed Supramolecular Synthesis of Cocrystals","Crystal Growth & Design","2006","6","4","1033","","10.1021/cg0600492","","","0.71073","MoKα","","0.0279","0.0253","","","0.0671","0.0683","","","","","","1.036","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504816","7.0034","0.0008","10.6013","0.0012","11.1605","0.0012","77","0.002","75.995","0.002","84.92","0.002","782.87","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(4-bromo-PhC(CN)(=NOH))2, 1,4-di[(2-methyl-1-imidazolyl)methyl]benzene","","- C32 H28 Br2 N8 O2 -","- C32 H28 Br2 N8 O2 -","- C32 H28 Br2 N8 O2 -","1","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanophenyloximes: Reliable and Versatile Tools for Hydrogen-Bond Directed Supramolecular Synthesis of Cocrystals","Crystal Growth & Design","2006","6","4","1033","","10.1021/cg0600492","","","0.71073","MoKα","","0.0302","0.0281","","","0.0771","0.0784","","","","","","1.08","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504817","5.9","0.001","7.2231","0.0012","17.088","0.003","86.114","0.003","89.633","0.004","73.472","0.003","696.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3-chloro-phenylacetonitrile oxime)2, 1,4-di[(1-imidazolyl)methyl]benzene","","- C30 H24 Cl2 N8 O2 -","- C30 H24 Cl2 N8 O2 -","- C30 H24 Cl2 N8 O2 -","1","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanophenyloximes: Reliable and Versatile Tools for Hydrogen-Bond Directed Supramolecular Synthesis of Cocrystals","Crystal Growth & Design","2006","6","4","1033","","10.1021/cg0600492","","","0.71073","MoKα","","0.0527","0.0453","","","0.1135","0.1183","","","","","","1.038","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504818","10.9286","0.0011","14.1612","0.0015","11.3704","0.0012","90","","92.619","0.002","90","","1757.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-[bis(2-methylbenzimidazol-1-yl)methyl]benzene, (4-bromobenzacetoxime)2","","- C40 H38 Br2 N6 O2 -","- C40 H38 Br2 N6 O2 -","- C80 H76 Br4 N12 O4 -","2","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanophenyloximes: Reliable and Versatile Tools for Hydrogen-Bond Directed Supramolecular Synthesis of Cocrystals","Crystal Growth & Design","2006","6","4","1033","","10.1021/cg0600492","","","0.71073","MoKα","","0.0361","0.0292","","","0.0745","0.0775","","","","","","1.056","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504819","16.347","0.013","11.142","0.013","9.425","0.009","90","","103.36","0.02","90","","1670","3","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 F N -","- C6 H5 F N -","- C72 H60 F12 N12 -","12","1.5","","Chopra, Deepak; Thiruvenkatam, Vijay; Row, Tayur. N. Guru","In Situ Cryo-Crystallization of Fluorinated Amines: A Comparative Study of Cooperative Intermolecular Interactions Involving Ordered and Disordered Fluorine","Crystal Growth & Design","2006","6","4","843","","10.1021/cg060053d","","","0.71073","MoKα","","0.1562","0.0822","","","0.2004","0.2465","","","","","","0.987","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504820","10.755","0.007","5.419","0.004","9.046","0.006","90","","90","","90","","527.2","0.6","220","2","220","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H6 F N -","- C6 H6 F N -","- C24 H24 F4 N4 -","4","1","","Chopra, Deepak; Thiruvenkatam, Vijay; Row, Tayur. N. Guru","In Situ Cryo-Crystallization of Fluorinated Amines: A Comparative Study of Cooperative Intermolecular Interactions Involving Ordered and Disordered Fluorine","Crystal Growth & Design","2006","6","4","843","","10.1021/cg060053d","","","0.71073","MoKα","","0.0398","0.0373","","","0.0927","0.0942","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504821","7.2964","0.0004","20.9295","0.001","10.79","0.0006","90","","103.888","0.002","90","","1599.57","0.15","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(H~4~Qim)(H~2~O)~4~","","","- C12 H18 N8 O4 -","- C12 H10 N8 O4 -","- C48 H40 N32 O16 -","4","1","","Murata, Tsuyoshi; Morita, Yasushi; Fukui, Kozo; Yakiyama, Yumi; Sato, Kazunobu; Shiomi, Daisuke; Takui, Takeji; Nakasuji, Kazuhiro","Multidimensional Networks of π-Conjugated Oligomers: Crystal Structures of 4,4‘:2‘,2‘ ‘:4‘ ‘,4‘ ‘‘-Quaterimidazole in Hydrate, Protonated Salt, and Dinucleic Copper Complexes","Crystal Growth & Design","2006","6","4","1043","","10.1021/cg0600602","","","0.71069","MoKα","","0.1333","0.0877","","","0.1972","0.2278","","","","","","1.036","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504822","9.317","0.0001","11.6417","0.0001","25.1539","0.0002","90","","93.547","0.001","90","","2723.11","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(H~6~Qim)I~2~(dioxisan)~2~","","","- C20 H28 I2 N8 O4 -","- C20 H28 I2 N8 O4 -","- C80 H112 I8 N32 O16 -","4","1","","Murata, Tsuyoshi; Morita, Yasushi; Fukui, Kozo; Yakiyama, Yumi; Sato, Kazunobu; Shiomi, Daisuke; Takui, Takeji; Nakasuji, Kazuhiro","Multidimensional Networks of π-Conjugated Oligomers: Crystal Structures of 4,4‘:2‘,2‘ ‘:4‘ ‘,4‘ ‘‘-Quaterimidazole in Hydrate, Protonated Salt, and Dinucleic Copper Complexes","Crystal Growth & Design","2006","6","4","1043","","10.1021/cg0600602","","","0.71075","MoKα","","0.1435","0.0674","","","0.1534","0.1697","","","","","","0.811","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504823","7.697","0.0002","13.276","0.0003","14.5091","0.0006","68.164","0.001","84.772","0.001","82.781","0.002","1363.75","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","(H~4~Qim)~2~(CuCl~2~)~2~","","","- C16 H12 Cl4 Cu2 N8 O3 S2 -","- C16 H24 Cl4 Cu2 N8 O3 S2 -","- C32 H48 Cl8 Cu4 N16 O6 S4 -","2","1","","Murata, Tsuyoshi; Morita, Yasushi; Fukui, Kozo; Yakiyama, Yumi; Sato, Kazunobu; Shiomi, Daisuke; Takui, Takeji; Nakasuji, Kazuhiro","Multidimensional Networks of π-Conjugated Oligomers: Crystal Structures of 4,4‘:2‘,2‘ ‘:4‘ ‘,4‘ ‘‘-Quaterimidazole in Hydrate, Protonated Salt, and Dinucleic Copper Complexes","Crystal Growth & Design","2006","6","4","1043","","10.1021/cg0600602","","","0.71069","MoKα","","0.0648","0.0376","","","0.0933","0.1081","","","","","","1.043","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504824","18.001","0.007","13.615","0.006","16.927","0.006","90","","110.83","0.01","90","","3877","3","200.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 N6 O4 -","- C82 H60 N12 O4 -","- C328 H240 N48 O16 -","4","0.5","","Matsumoto, Kouzou; Harada, Yukako; Yamada, Nao; Kurata, Hiroyuki; Kawase, Takeshi; Oda, Masaji","Three-Dimensional Coordination Polymer of Silver(I) with Bridging Ligand Hexakis(4-pyridyl)[3]radialene","Crystal Growth & Design","2006","6","5","1083","","10.1021/cg060073f","","","0.7107","MoKa","","","0.0456","","","","0.1245","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504825","11.147","0.002","25.605","0.004","13.295","0.003","90","","107.341","0.009","90","","3622.2","1.2","296.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 Ag Cl N6 O6 S -","- C39 H34 Ag Cl N6 O6 S -","- C156 H136 Ag4 Cl4 N24 O24 S4 -","4","1","","Matsumoto, Kouzou; Harada, Yukako; Yamada, Nao; Kurata, Hiroyuki; Kawase, Takeshi; Oda, Masaji","Three-Dimensional Coordination Polymer of Silver(I) with Bridging Ligand Hexakis(4-pyridyl)[3]radialene","Crystal Growth & Design","2006","6","5","1083","","10.1021/cg060073f","","","0.7107","MoKa","","","0.0635","","","","0.1742","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504826","5.8571","0.0004","7.0475","0.00025","8.7999","0.0006","102.99","0.006","92.874","0.006","110.47","0.004","328.28","0.04","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C H N S -","- C H N S -","- C6 H6 N6 S6 -","6","3","","Guo, Fang; Cheung, Eugene Y.; Harris, Kenneth D. M.; Pedireddi, V. R.","Contrasting Solid-State Structures of Trithiocyanuric Acid and Cyanuric Acid","Crystal Growth & Design","2006","6","4","846","","10.1021/cg0601094","powder diffraction","x-ray","1.54056","","","","","","","","","","","5.9","","","","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504827","15.17","0.003","13.343","0.003","18.523","0.004","90","","105.42","0.03","90","","3614.3","1.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 N O15 P2 -","- C35 H42 N O15 P2 -","- C140 H168 N4 O60 P8 -","4","1","","Lazar, Adina N.; Dupont, Nathalie; Navaza, Alda; Coleman, Anthony W.","Solid-State Complexes of Calix[4]arene Dihydroxyphosphonic Acid with Bipyridyl Ligands","Crystal Growth & Design","2006","6","3","669","","10.1021/cg058017m","","","0.71073","MoKα","","0.1353","0.0803","","","0.2048","0.2344","","","","","","1.057","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504828","55.313","0.001","7.919","0.001","9.818","0.001","90","","99.63","0.01","90","","4239.9","0.7","198","2","198","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 Fe -","- C24 H38 Fe -","- C192 H304 Fe8 -","8","1","","Wedeking, Katrin; Mu, Zhongcheng; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Chi, Lifeng; Fuchs, Harald","Tetradecylferrocene: ordered molecular array of an organometallic amphiphile in the crystal and in a two-dimensional assembled structure on a surface.","Langmuir : the ACS journal of surfaces and colloids","2006","22","7","3161","3165","10.1021/la0531594","","","0.71073","MoKα","","0.1079","0.0587","","","0.0986","0.1119","","","","","","1.017","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504829","4.681","0.008","5.665","0.01","44.65","0.08","88.29","0.03","88.9","0.04","78.03","0.03","1158","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","phosphoric acid didecyl ester","","","- C20 H43 O4 P -","- C20 H43 O4 P -","- C40 H86 O8 P2 -","2","1","","Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard","V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid.","Langmuir : the ACS journal of surfaces and colloids","2006","22","13","5856","5861","10.1021/la0603572","","","0.71073","MoKα","","0.2312","0.1894","","","0.4017","0.4197","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504830","4.693","0.002","5.663","0.003","51.99","0.02","89.212","0.013","88.506","0.013","78.08","0.009","1351.4","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","phosphoric acid didodecyl ester","","","- C24 H51 O4 P -","- C24 H51 O4 P -","- C48 H102 O8 P2 -","2","1","","Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard","V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid.","Langmuir : the ACS journal of surfaces and colloids","2006","22","13","5856","5861","10.1021/la0603572","","","0.71073","MoKα","","0.2153","0.1262","","","0.2909","0.3201","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504831","4.702","0.004","5.642","0.005","29.92","0.03","84.779","0.018","85.697","0.018","77.885","0.016","771.6","1.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","phosphoric acid ditetradecyl ester","","","- C28 H59 O4 P -","- C28 H59 O4 P -","- C28 H59 O4 P -","1","1","","Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard","V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid.","Langmuir : the ACS journal of surfaces and colloids","2006","22","13","5856","5861","10.1021/la0603572","","","0.71073","MoKα","","0.1619","0.1433","","","0.3556","0.3737","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504832","4.717","0.003","5.602","0.003","33.609","0.019","85.242","0.012","86.283","0.011","77.441","0.01","862.9","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","phosphoric acid dihexadecyl ester","","","- C32 H67 O4 P -","- C32 H67 O4 P -","- C32 H67 O4 P -","1","1","","Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard","V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid.","Langmuir : the ACS journal of surfaces and colloids","2006","22","13","5856","5861","10.1021/la0603572","","","0.71073","MoKα","","0.0784","0.0693","","","0.1984","0.2029","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504833","18.0259","0.0017","14.9021","0.0013","10.5521","0.0008","90","","97.917","0.003","90","","2807.5","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30.5 H28 Cl Fe N S4 -","- C30.5 H28 Cl Fe N S4 -","- C122 H112 Cl4 Fe4 N4 S16 -","4","2","","Byrne, Paul D.; Müller, Peter; Swager, Timothy M.","Conducting metallopolymers based on azaferrocene.","Langmuir : the ACS journal of surfaces and colloids","2006","22","25","10596","10604","10.1021/la061078h","","","0.71073","MoKα","","0.0703","0.0539","","","0.1136","0.1188","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508617","8.365","0.002","12.033","0.003","14.164","0.004","90","","103.52","0.02","90","","1386.2","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dicesium heptaborate","","- B7 Cs2 H5 O14 -","- B7 Cs2 H5 O14 -","- B28 Cs8 H20 O56 -","4","1","","Liu, Zhi-Hong; Li, Lian-Qing","A New Hydrated Cesium Heptaborate Cs2[B7O9(OH)5]: Synthesis and Crystal Structure","Crystal Growth & Design","2006","6","6","1247","","10.1021/cg0503200","","","0.71073","MoKα","","0.0352","0.0259","","","0.0579","0.0598","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508618","18.846","0.004","13.443","0.003","27.561","0.006","90","","105.75","0.03","90","","6720","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H43.5 Ge N2 Nd1.5 O48 W11 -","- C8 H24 Ge N2 Nd1.5 O48 W11 -","- C32 H96 Ge4 N8 Nd6 O192 W44 -","4","1","","Wang, Jing-Ping; Duan, Xian-Ying; Du, Xiao-Di; Niu, Jing-Yang","Novel Rare Earth Germanotungstates and Organic Hybrid Derivatives: Synthesis and Structures of M/[α-GeW11O39] (M = Nd, Sm, Y, Yb) and Sm/[α-GeW11O39](DMSO)","Crystal Growth & Design","2006","6","10","2266","","10.1021/cg050321s","","","0.71073","MoKα","","0.0715","0.0546","","","0.1368","0.1445","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508619","12.8034","0.0008","44.52","0.003","11.4867","0.0007","90","","107.52","0.001","90","","6243.8","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H44 Ge O55 S3 Sm2.5 W11 -","- C6 H16 Ge O55 S3 Sm2.5 W11 -","- C24 H64 Ge4 O220 S12 Sm10 W44 -","4","1","","Wang, Jing-Ping; Duan, Xian-Ying; Du, Xiao-Di; Niu, Jing-Yang","Novel Rare Earth Germanotungstates and Organic Hybrid Derivatives: Synthesis and Structures of M/[α-GeW11O39] (M = Nd, Sm, Y, Yb) and Sm/[α-GeW11O39](DMSO)","Crystal Growth & Design","2006","6","10","2266","","10.1021/cg050321s","","","0.71073","MoKα","","0.0472","0.0416","","","0.0975","0.1001","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508620","18.791","0.004","13.388","0.003","27.534","0.006","90","","105.73","0.03","90","","6667","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H41.75 Ge N2 O46.75 Sm1.25 W11 -","- C8 H24 Ge N2 O46.75 Sm1.25 W11 -","- C32 H96 Ge4 N8 O187 Sm5 W44 -","4","1","","Wang, Jing-Ping; Duan, Xian-Ying; Du, Xiao-Di; Niu, Jing-Yang","Novel Rare Earth Germanotungstates and Organic Hybrid Derivatives: Synthesis and Structures of M/[α-GeW11O39] (M = Nd, Sm, Y, Yb) and Sm/[α-GeW11O39](DMSO)","Crystal Growth & Design","2006","6","10","2266","","10.1021/cg050321s","","","0.71073","MoKα","","0.0875","0.0605","","","0.1462","0.1589","","","","","","1.084","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508621","27.834","0.006","22.706","0.005","23.818","0.005","90","","123.12","0.03","90","","12607","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H49 Ge N2.5 O44.75 W11 Yb -","- C10 H30 Ge N2.5 O44.75 W11 Yb -","- C80 H240 Ge8 N20 O358 W88 Yb8 -","8","1","","Wang, Jing-Ping; Duan, Xian-Ying; Du, Xiao-Di; Niu, Jing-Yang","Novel Rare Earth Germanotungstates and Organic Hybrid Derivatives: Synthesis and Structures of M/[α-GeW11O39] (M = Nd, Sm, Y, Yb) and Sm/[α-GeW11O39](DMSO)","Crystal Growth & Design","2006","6","10","2266","","10.1021/cg050321s","","","0.71073","MoKα","","0.0711","0.0585","","","0.1408","0.1476","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508622","27.895","0.006","22.795","0.005","23.877","0.005","90","","123.36","0.03","90","","12681","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H44.5 Ge N2.5 O45 W11 Y -","- C10 H30 Ge N2.5 O45 W11 Y -","- C80 H240 Ge8 N20 O360 W88 Y8 -","8","1","","Wang, Jing-Ping; Duan, Xian-Ying; Du, Xiao-Di; Niu, Jing-Yang","Novel Rare Earth Germanotungstates and Organic Hybrid Derivatives: Synthesis and Structures of M/[α-GeW11O39] (M = Nd, Sm, Y, Yb) and Sm/[α-GeW11O39](DMSO)","Crystal Growth & Design","2006","6","10","2266","","10.1021/cg050321s","","","0.71073","MoKα","","0.1059","0.0674","","","0.1609","0.1747","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508623","12.175","0.002","5.6591","0.0011","7.1287","0.0014","90","","90","","90","","491.16","0.16","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Cu2 O10 Y4 -","- Ba2 Cu2 O10 Y4 -","- Ba4 Cu4 O20 Y8 -","2","0.25","","Mele, P.; Ubaldini, A.; Carnasciali, M. M.; Costa, G. A.; Scavini, M.","Growth and Structural Characterization of Needlelike Crystals in the Y−Ba−Cu−O System","Crystal Growth & Design","2006","6","8","1761","","10.1021/cg050519c","","","0.71073","MoKα","","0.0417","0.0326","","","0.0666","0.0695","","","","","","1.028","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508624","15.0213","0.0017","7.4222","0.0007","15.3083","0.0014","90","","91.342","0.004","90","","1706.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cs2 Cu3 N20 O4 W2 -","- C16 H20 Cs2 Cu3 N20 O4 W2 -","- C32 H40 Cs4 Cu6 N40 O8 W4 -","2","0.5","","Wang, Zhao-Xi; Zhang, Peng; Shen, Xiao-Fei; Song, You; You, Xiao-Zeng; Hashimoto, Kazuhito","Syntheses, Structures, and Properties of Two Three-Dimensional Octacyanometalate-Based Polymers: Cs2Cu3[W(CN)8]2·4NH3·4H2O and Cu2[Mo(CN)8]·8NH3","Crystal Growth & Design","2006","6","11","2457","","10.1021/cg050555b","","","0.71073","MoKα","","0.0589","0.051","","","0.1151","0.1172","","","","","","1.083","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508625","17.0876","0.0017","14.9487","0.0015","12.0009","0.0012","90","","109.473","0.002","90","","2890.1","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12.5 H10.5 Cd Cl2 N3.5 O0.5 -","- C12.5 H10 Cd Cl2 N3.5 O0.5 -","- C100 H80 Cd8 Cl16 N28 O4 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0357","0.0313","","","0.0725","0.0748","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508626","15.875","0.002","15.131","0.002","12.1758","0.0016","90","","110.96","0.002","90","","2731.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 Cl4 N7 O0 Zn2 -","- C25 H19 Cl4 N7 Zn2 -","- C100 H76 Cl16 N28 Zn8 -","4","0.5","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0838","0.0492","","","0.0992","0.1115","","","","","","1.017","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508627","17.36","0.009","15.178","0.008","24.457","0.013","90","","90","","90","","6444","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 Cd2 I4 N7 O0 -","- C25 H19 Cd2 I4 N7 -","- C200 H152 Cd16 I32 N56 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.057","0.0425","","","0.1005","0.1083","","","","","","1.005","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508628","16.7768","0.0012","14.4667","0.001","23.534","0.0016","90","","90","","90","","5711.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 Cl4 Hg2 N7 O0 -","- C25 H19 Cl4 Hg2 N7 -","- C200 H152 Cl32 Hg16 N56 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0499","0.0312","","","0.0676","0.0789","","","","","","1.035","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508629","17.1651","0.0008","14.7379","0.0007","23.655","0.0011","90","","90","","90","","5984.2","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 Br4 Hg2 N7 O0 -","- C25 H19 Br4 Hg2 N7 -","- C200 H152 Br32 Hg16 N56 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0759","0.0447","","","0.0954","0.1071","","","","","","1.009","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508630","17.755","0.003","15.139","0.003","24.304","0.005","90","","90","","90","","6533","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 Hg2 I4 N7 O0 -","- C25 H19 Hg2 I4 N7 -","- C200 H152 Hg16 I32 N56 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0652","0.0384","","","0.0838","0.0943","","","","","","0.987","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508631","25.2674","0.0001","11.5413","0.0002","26.7159","0.0001","90","","90","","90","","7790.85","0.14","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C68 H84 Cd4 N9 Na O33 -","- C68 H32 Cd4 N9 Na O33 -","- C272 H128 Cd16 N36 Na4 O132 -","4","0.25","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.0625","0.0491","","","0.1258","0.1349","","","","","","1.159","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508632","25.126","0.005","11.532","0.002","26.628","0.005","90","","90","","90","","7716","2","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C70 H88 Cd4 I N8 Na O30 -","- C70 H32 Cd4 I N8 Na O30 -","- C280 H128 Cd16 I4 N32 Na4 O120 -","4","0.25","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.0669","0.0487","","","0.1436","0.151","","","","","","1.001","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508633","25.1011","0.0001","11.475","0.0001","26.559","0.0005","90","","90","","90","","7649.92","0.16","173","2","173","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C68 H84 Br Cd4 N8 Na O30 -","- C68 H48 Br Cd4 N8 Na O30 -","- C272 H192 Br4 Cd16 N32 Na4 O120 -","4","0.25","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.0786","0.0475","","","0.1124","0.1304","","","","","","1.052","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508634","13.3088","0.0003","13.3356","0.0003","13.7075","0.0001","69.329","0.001","85.595","0.001","62.947","0.001","2016.89","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H76 Cd4 N10 Na2 O26 S2 -","- C70 H56 Cd4 N10 Na2 O26 S2 -","- C70 H56 Cd4 N10 Na2 O26 S2 -","1","0.5","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.0847","0.052","","","0.131","0.1566","","","","","","1.075","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4508635","11.303","","26.8081","0.001","24.337","0.001","90","","90","","90","","7374.4","0.4","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H38 Cd2 Cl0.5 N4 Na0.5 O13 -","- C34 H24 Cd2 Cl0.5 N4 Na0.5 O13 -","- C272 H192 Cd16 Cl4 N32 Na4 O104 -","8","1","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.0587","0.0518","","","0.1318","0.1367","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508636","20.9727","0.0004","19.1255","0.0002","21.2366","0.0003","90","","90.802","0.001","90","","8517.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H98 Cd4 N12 O31 -","- C74 H68 Cd4 N12 O31 -","- C296 H272 Cd16 N48 O124 -","4","1","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.1021","0.0608","","","0.1377","0.1702","","","","","","1.131","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508637","6.4283","0.0005","9.0194","0.0007","13.3567","0.001","98.279","0.001","96.861","0.001","91.559","0.001","760.08","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H52 N8 O18 P4 Zn -","- C10 H52 N8 O18 P4 Zn -","- C10 H52 N8 O18 P4 Zn -","1","0.5","","Li, Ming; Chen, Shuoping; Xiang, Jiangfeng; He, Hanjiang; Yuan, Liangjie; Sun, Jutang","Synthesis, Characterization, and Thermal Study of a T4(2)6(2) Water Tape in a Proton-Transfer Salt Host","Crystal Growth & Design","2006","6","6","1250","","10.1021/cg050609h","","","0.71073","MoKα","","0.0277","0.0271","","","0.0802","0.0808","","","","","","1.059","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508638","13.006","0.003","17.261","0.004","12.209","0.002","90","","129.12","0.03","90","","2126.4","1.2","113","2","113","2","","","","","","","","3","C 1 c 1","C -2yc","9","methyl paraben","Methyl p-hydroxybenzoate","","- C8 H8 O3 -","- C8 H8 O3 -","- C96 H96 O36 -","12","3","","Vujovic, Dejana; Nassimbeni, Luigi R.","Methyl ParabenA New Polymorph?","Crystal Growth & Design","2006","6","7","1595","","10.1021/cg050639k","","","0.71073","MoKα","","0.0402","0.033","","","0.0857","0.0902","","","","","","1.048","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508639","3.9139","0.0005","17.538","0.002","11.8693","0.0016","90","","90.079","0.004","90","","814.73","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","1","","Wishkerman, Sara; Bernstein, Joel; Stephens, Peter W.","Polymorphism in 4-Methoxy-3-nitrobenzaldehyde","Crystal Growth & Design","2006","6","6","1366","","10.1021/cg0506572","","","0.71073","MoKα","","0.0569","0.0417","","","0.1397","0.1536","","","","","","1.08","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508640","5.3827","0.0001","6.9293","0.0002","9.4909","0.0002","75.219","0.002","83.95","0.002","83.355","0.002","338.918","0.014","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl4 N2 Pt -","- C10 H8 Cl4 N2 Pt -","- C10 H8 Cl4 N2 Pt -","1","0.5","","Zordan, Fiorenzo; Brammer, Lee","M−X···X‘−C Halogen-Bonded Network Formation in MX2(4-halopyridine)2Complexes (M = Pd, Pt; X = Cl, I; X‘ = Cl, Br, I)","Crystal Growth & Design","2006","6","6","1374","","10.1021/cg050670m","","","0.71073","MoKα","","0.024","0.024","","","0.0659","0.0659","","","","","","1.083","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508641","6.1988","0.0011","14.139","0.003","7.77","0.0014","90","","96.826","0.003","90","","676.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br2 Cl2 N2 Pt -","- C10 H8 Br2 Cl2 N2 Pt -","- C20 H16 Br4 Cl4 N4 Pt2 -","2","0.5","","Zordan, Fiorenzo; Brammer, Lee","M−X···X‘−C Halogen-Bonded Network Formation in MX2(4-halopyridine)2Complexes (M = Pd, Pt; X = Cl, I; X‘ = Cl, Br, I)","Crystal Growth & Design","2006","6","6","1374","","10.1021/cg050670m","","","0.71073","MoKα","","0.038","0.0359","","","0.0952","0.0964","","","","","","1.171","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508642","3.9039","0.0008","7.6551","0.0017","11.74","0.003","106.368","0.004","90.135","0.004","98.92","0.004","332.16","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl4 N2 Pd -","- C10 H8 Cl4 N2 Pd -","- C10 H8 Cl4 N2 Pd -","1","0.5","","Zordan, Fiorenzo; Brammer, Lee","M−X···X‘−C Halogen-Bonded Network Formation in MX2(4-halopyridine)2Complexes (M = Pd, Pt; X = Cl, I; X‘ = Cl, Br, I)","Crystal Growth & Design","2006","6","6","1374","","10.1021/cg050670m","","","0.71073","MoKα","","0.0606","0.0465","","","0.1081","0.1133","","","","","","1.039","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508643","5.4648","0.0011","6.96","0.0014","9.5925","0.0019","75.117","0.003","84.477","0.003","84.631","0.003","350.07","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br2 Cl2 N2 Pd -","- C10 H8 Br2 Cl2 N2 Pd -","- C10 H8 Br2 Cl2 N2 Pd -","1","0.5","","Zordan, Fiorenzo; Brammer, Lee","M−X···X‘−C Halogen-Bonded Network Formation in MX2(4-halopyridine)2Complexes (M = Pd, Pt; X = Cl, I; X‘ = Cl, Br, I)","Crystal Growth & Design","2006","6","6","1374","","10.1021/cg050670m","","","0.71073","MoKα","","0.0411","0.0334","","","0.0951","0.1306","","","","","","1.241","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508644","7.905","0.003","12.629","0.005","8.764","0.003","90","","98.975","0.007","90","","864.2","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 I4 N2 Pd -","- C10 H8 I4 N2 Pd -","- C20 H16 I8 N4 Pd2 -","2","0.5","","Zordan, Fiorenzo; Brammer, Lee","M−X···X‘−C Halogen-Bonded Network Formation in MX2(4-halopyridine)2Complexes (M = Pd, Pt; X = Cl, I; X‘ = Cl, Br, I)","Crystal Growth & Design","2006","6","6","1374","","10.1021/cg050670m","","","0.71073","MoKα","","0.054","0.033","","","0.0604","0.0656","","","","","","0.949","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508645","7.0119","0.0014","13.788","0.003","14.968","0.003","107.54","0.03","102.01","0.03","97.36","0.03","1321.1","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H32 O18 Pb6 -","- C56 H32 O18 Pb6 -","- C56 H32 O18 Pb6 -","1","0.5","","Xu, Xinxin; Lu, Ying; Wang, Enbo; Ma, Ying; Bai, Xiuli","Metal-Controlled Assembly of Coordination Polymers with the Flexible Ligand 1,1‘-Biphenyl-2,2‘-dicarboxylate Acid","Crystal Growth & Design","2006","6","9","2029","","10.1021/cg050671e","","","0.71073","MoKα","","0.0595","0.0447","","","0.1284","0.1452","","","","","","0.963","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508646","6.4953","0.0013","20.559","0.004","9.1747","0.0018","90","","90","","90","","1225.2","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H8 Ag2 O4 -","- C14 H8 Ag2 O4 -","- C56 H32 Ag8 O16 -","4","0.5","","Xu, Xinxin; Lu, Ying; Wang, Enbo; Ma, Ying; Bai, Xiuli","Metal-Controlled Assembly of Coordination Polymers with the Flexible Ligand 1,1‘-Biphenyl-2,2‘-dicarboxylate Acid","Crystal Growth & Design","2006","6","9","2029","","10.1021/cg050671e","","","0.71073","MoKα","","0.0464","0.0437","","","0.1861","0.1925","","","","","","1.238","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508647","20.969","0.004","21.511","0.004","8.3076","0.0017","90","","103.97","0.03","90","","3636.4","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 Nd2 O14 -","- C42 H28 Nd2 O14 -","- C168 H112 Nd8 O56 -","4","0.5","","Xu, Xinxin; Lu, Ying; Wang, Enbo; Ma, Ying; Bai, Xiuli","Metal-Controlled Assembly of Coordination Polymers with the Flexible Ligand 1,1‘-Biphenyl-2,2‘-dicarboxylate Acid","Crystal Growth & Design","2006","6","9","2029","","10.1021/cg050671e","","","0.71073","MoKα","","0.0308","0.028","","","0.087","0.0908","","","","","","0.903","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508648","12.848","0.003","5.9592","0.0012","17.323","0.004","90","","104.06","0.03","90","","1286.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 O5 Zn -","- C14 H10 O5 Zn -","- C56 H40 O20 Zn4 -","4","1","","Xu, Xinxin; Lu, Ying; Wang, Enbo; Ma, Ying; Bai, Xiuli","Metal-Controlled Assembly of Coordination Polymers with the Flexible Ligand 1,1‘-Biphenyl-2,2‘-dicarboxylate Acid","Crystal Growth & Design","2006","6","9","2029","","10.1021/cg050671e","","","0.71073","MoKα","","0.0356","0.0305","","","0.0882","0.0927","","","","","","0.913","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508649","9.6427","0.0019","12.134","0.002","12.253","0.003","72.02","0.03","71.49","0.03","88.38","0.03","1289.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H36 Cd2 N4 O10 -","- C52 H36 Cd2 N4 O10 -","- C52 H36 Cd2 N4 O10 -","1","0.5","","Xu, Xinxin; Lu, Ying; Wang, Enbo; Ma, Ying; Bai, Xiuli","Metal-Controlled Assembly of Coordination Polymers with the Flexible Ligand 1,1‘-Biphenyl-2,2‘-dicarboxylate Acid","Crystal Growth & Design","2006","6","9","2029","","10.1021/cg050671e","","","0.71073","MoKα","","0.0696","0.0612","","","0.2012","0.2086","","","","","","1.239","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508650","7.3471","0.0001","8.6909","0.0002","13.8638","0.0007","85.914","0.015","75.119","0.012","65.103","0.011","775.36","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Co3 N2 O24 -","- C24 H32 Co3 N2 O24 -","- C24 H32 Co3 N2 O24 -","1","0.5","","Xu, Yanqing; Yuan, Daqiang; Wu, Benlai; Han, Lei; Wu, Mingyan; Jiang, Feilong; Hong, Maochun","1D Tube, 2D Layer, and 3D Framework Derived from a New Series of Metal(II)−5-Aminodiacetic Isophthalate Coordination Polymers","Crystal Growth & Design","2006","6","5","1168","","10.1021/cg0506774","","","0.71073","MoKα","","0.0588","0.0443","","","0.1012","0.1118","","","","","","1.039","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508651","7.1637","0.0005","10.014","0.003","12.3475","0.0007","70.188","0.01","88.077","0.015","80.202","0.013","820.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Cu2 N O13 -","- C12 H17 Cu2 N O13 -","- C24 H34 Cu4 N2 O26 -","2","1","","Xu, Yanqing; Yuan, Daqiang; Wu, Benlai; Han, Lei; Wu, Mingyan; Jiang, Feilong; Hong, Maochun","1D Tube, 2D Layer, and 3D Framework Derived from a New Series of Metal(II)−5-Aminodiacetic Isophthalate Coordination Polymers","Crystal Growth & Design","2006","6","5","1168","","10.1021/cg0506774","","","0.71073","MoKα","","0.0568","0.0406","","","0.1043","0.114","","","","","","1.056","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508652","16.464","0.007","14.907","0.006","31.124","0.013","90","","105.05","0.009","90","","7377","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H59 Cu2 N8 O23.5 S8 -","- C64 H46 Cu2 N8 O23.5 S8 -","- C256 H184 Cu8 N32 O94 S32 -","4","1","","Liu, Yu; Guo, Dong-Sheng; Zhang, Heng-Yi; Kang, Shu; Song, Hai-Bin","Diverse Conformation and Extended Structure ofp-Sulfonatothiacalix[4]arene Manipulated by Guest Molecules","Crystal Growth & Design","2006","6","6","1399","","10.1021/cg060012h","","","0.71073","MoKα","","0.0852","0.0758","","","0.2164","0.2262","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508653","14.435","0.006","14.994","0.006","18.939","0.008","100.004","0.008","94.554","0.007","108.504","0.007","3788","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H58 Cu2 N8 O23 S8 -","- C72 H44 Cu2 N8 O23 S8 -","- C144 H88 Cu4 N16 O46 S16 -","2","1","","Liu, Yu; Guo, Dong-Sheng; Zhang, Heng-Yi; Kang, Shu; Song, Hai-Bin","Diverse Conformation and Extended Structure ofp-Sulfonatothiacalix[4]arene Manipulated by Guest Molecules","Crystal Growth & Design","2006","6","6","1399","","10.1021/cg060012h","","","0.71073","MoKα","","0.1692","0.0784","","","0.2013","0.2551","","","","","","1.107","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508654","19.576","0.005","21.306","0.005","29.998","0.007","90","","90","","90","","12512","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H52 Co N6 O23 S8 -","- C60 H36 Co N6 O23 S8 -","- C480 H288 Co8 N48 O184 S64 -","8","1","","Liu, Yu; Guo, Dong-Sheng; Zhang, Heng-Yi; Kang, Shu; Song, Hai-Bin","Diverse Conformation and Extended Structure ofp-Sulfonatothiacalix[4]arene Manipulated by Guest Molecules","Crystal Growth & Design","2006","6","6","1399","","10.1021/cg060012h","","","0.71073","MoKα","","0.1278","0.0631","","","0.1408","0.1938","","","","","","1.136","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508655","9.179","0.0007","8.7296","0.0007","19.4811","0.0015","90","","91.315","0.001","90","","1560.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Co N3 O6 -","- C15 H13 Co N3 O6 -","- C60 H52 Co4 N12 O24 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.0542","0.0475","","","0.1043","0.1073","","","","","","1.112","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508656","9.1935","0.0009","8.8044","0.0009","19.555","0.002","90","","91.111","0.002","90","","1582.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O6 Zn -","- C15 H13 N3 O6 Zn -","- C60 H52 N12 O24 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.0283","0.0265","","","0.0672","0.0682","","","","","","1.037","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508657","28.4154","0.0016","7.3477","0.0004","17.0939","0.001","90","","108.469","0.001","90","","3385.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N3 O8 Zn -","- C15 H17 N3 O8 Zn -","- C120 H136 N24 O64 Zn8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.0253","0.024","","","0.0662","0.067","","","","","","1.072","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508658","7.8921","0.0011","10.213","0.0014","11.6733","0.0015","104.831","0.002","95.276","0.003","90.161","0.003","905.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Co N3 O9 -","- C15 H19 Co N3 O9 -","- C30 H38 Co2 N6 O18 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.1169","0.071","","","0.162","0.2042","","","","","","1.065","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508659","7.2357","0.0004","19.1593","0.0011","10.7206","0.0007","90","","104.729","0.001","90","","1437.37","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 O5 Zn -","- C15 H11 N3 O5 Zn -","- C60 H44 N12 O20 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.0303","0.0272","","","0.0698","0.0712","","","","","","1.045","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508660","24.139","0.002","9.1383","0.0008","8.2704","0.0008","90","","107.591","0.003","90","","1739.1","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H15 Cd N3 O8 -","- C15 H15 Cd N3 O8 -","- C60 H60 Cd4 N12 O32 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.0522","0.0461","","","0.1237","0.1295","","","","","","1.096","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508661","7.8756","0.0009","15.9779","0.0019","8.085","0.001","90","","114.554","0.002","90","","925.38","0.19","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cd N O6 -","- C7 H7 Cd N O6 -","- C28 H28 Cd4 N4 O24 -","4","1","","Li, Ming; Xiang, Jiangfeng; Yuan, Liangjie; Wu, Simin; Chen, Shuoping; Sun, Jutang","Syntheses, Structures, and Photoluminescence of Three Novel Coordination Polymers Constructed from Dimeric d10Metal Units","Crystal Growth & Design","2006","6","9","2036","","10.1021/cg060042k","","","0.71073","MoKα","","0.0182","0.0174","","","0.0418","0.0421","","","","","","1.171","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508662","5.4085","0.0004","11.3846","0.0007","13.6955","0.0009","90","","94.129","0.001","90","","841.09","0.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O6 Zn -","- C7 H7 N O6 Zn -","- C28 H28 N4 O24 Zn4 -","4","1","","Li, Ming; Xiang, Jiangfeng; Yuan, Liangjie; Wu, Simin; Chen, Shuoping; Sun, Jutang","Syntheses, Structures, and Photoluminescence of Three Novel Coordination Polymers Constructed from Dimeric d10Metal Units","Crystal Growth & Design","2006","6","9","2036","","10.1021/cg060042k","","","0.71073","MoKα","","0.021","0.0198","","","0.0479","0.0485","","","","","","1.094","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508663","7.4469","0.0012","12.569","0.002","17.759","0.003","96.125","0.003","99.935","0.002","100.517","0.003","1593.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H10 La2 N6 O30 Zn3 -","- C42 H22 La2 N6 O36.2 Zn3 -","- C42 H22 La2 N6 O36.2 Zn3 -","1","0.5","","Li, Ming; Xiang, Jiangfeng; Yuan, Liangjie; Wu, Simin; Chen, Shuoping; Sun, Jutang","Syntheses, Structures, and Photoluminescence of Three Novel Coordination Polymers Constructed from Dimeric d10Metal Units","Crystal Growth & Design","2006","6","9","2036","","10.1021/cg060042k","","","0.71073","MoKα","","0.0719","0.0566","","","0.1382","0.1531","","","","","","0.942","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508664","6.3407","0.0007","25.017","0.003","12.4354","0.0013","90","","102.64","0.002","90","","1924.8","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Compound_10","","- C21 H22 N4 O2 -","- C21 H22 N4 O2 -","- C84 H88 N16 O8 -","4","2","","Baures, Paul W.; Caldwell, Adam W.; Cashman, Chris R.; Masse, Marie T.; Van Arnam, Ethan B.; Conry, Rebecca R.","The Influence by Substituents on the Intermolecular Hydrogen-Bonding Interactions in Imidazole-4,5-dicarboxylic Acid Derivatives","Crystal Growth & Design","2006","6","9","2047","","10.1021/cg060057i","","","0.71073","MoKα","","0.0912","0.0582","","","0.1292","0.142","","","","","","0.905","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508665","9.8752","0.0011","11.6167","0.0012","16.2401","0.0017","90","","90","","90","","1863","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Compound_12","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","","Baures, Paul W.; Caldwell, Adam W.; Cashman, Chris R.; Masse, Marie T.; Van Arnam, Ethan B.; Conry, Rebecca R.","The Influence by Substituents on the Intermolecular Hydrogen-Bonding Interactions in Imidazole-4,5-dicarboxylic Acid Derivatives","Crystal Growth & Design","2006","6","9","2047","","10.1021/cg060057i","","","0.71073","MoKα","","0.0534","0.0425","","","0.1025","0.1062","","","","","","1.035","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508666","14.56","0.0013","15.007","0.0012","15.239","0.003","83.05","0.003","81.65","0.003","81.72","0.003","3243","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 N30 O19 -","- C54 H66 N30 O19 -","- C108 H132 N60 O38 -","2","1","","Wang, Zhi-Bin; Zhu, Hui-Fang; Zhao, Min; Li, Yi-Zhi; Okamura, Taka-aki; Sun, Wei-Yin; Chen, Hui-Lan; Ueyama, Norikazu","Silver(I) Ion Assisted Assembly of One-Dimensional Polyrotaxanes Incorporating Cucurbit[6]uril","Crystal Growth & Design","2006","6","6","1420","","10.1021/cg060062m","","","0.71073","MoKα","","0.095","0.0657","","","0.1402","0.1469","","","","","","1.089","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508667","31.3049","0.0017","12.034","0.0012","22.227","0.003","90","","110.43","0.003","90","","7846.7","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H160 Ag2 N62 O58 -","- C108 H160 Ag2 N62 O58 -","- C216 H320 Ag4 N124 O116 -","2","0.25","","Wang, Zhi-Bin; Zhu, Hui-Fang; Zhao, Min; Li, Yi-Zhi; Okamura, Taka-aki; Sun, Wei-Yin; Chen, Hui-Lan; Ueyama, Norikazu","Silver(I) Ion Assisted Assembly of One-Dimensional Polyrotaxanes Incorporating Cucurbit[6]uril","Crystal Growth & Design","2006","6","6","1420","","10.1021/cg060062m","","","0.71073","MoKα","","0.1015","0.0609","","","0.1256","0.1327","","","","","","1.089","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508668","13.716","0.017","14.257","0.011","18.69","0.03","81.43","0.09","76.57","0.11","83.52","0.09","3504","8","200","","200","","","","","","","","","5","P -1","-P 1","2","","[Ag{Z2(H+)2}(cucurbituril)](NO3)3-10(H2O)","","- C56 H80 Ag N31 O31 -","- C56 H60 Ag N31 O31 -","- C112 H120 Ag2 N62 O62 -","2","1","","Wang, Zhi-Bin; Zhu, Hui-Fang; Zhao, Min; Li, Yi-Zhi; Okamura, Taka-aki; Sun, Wei-Yin; Chen, Hui-Lan; Ueyama, Norikazu","Silver(I) Ion Assisted Assembly of One-Dimensional Polyrotaxanes Incorporating Cucurbit[6]uril","Crystal Growth & Design","2006","6","6","1420","","10.1021/cg060062m","","","0.71075","MoKα","","0.1908","0.0621","","","0.1285","0.1569","","","","","","0.813","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508669","14.132","0.011","16.266","0.013","30.62","0.02","99.91","0.07","91.37","0.07","92.56","0.07","6923","9","200","","200","","","","","","","","","6","P -1","-P 1","2","","[Ag{Z2(H+)2}(cucurbituril)](ClO4)3-6.5(H2O)","","- C56 H73 Ag Cl3 N28 O30.5 -","- C56 H60 Ag Cl3 N28 O30.5 -","- C224 H240 Ag4 Cl12 N112 O122 -","4","2","","Wang, Zhi-Bin; Zhu, Hui-Fang; Zhao, Min; Li, Yi-Zhi; Okamura, Taka-aki; Sun, Wei-Yin; Chen, Hui-Lan; Ueyama, Norikazu","Silver(I) Ion Assisted Assembly of One-Dimensional Polyrotaxanes Incorporating Cucurbit[6]uril","Crystal Growth & Design","2006","6","6","1420","","10.1021/cg060062m","","","0.71075","MoKα","","0.1807","0.0582","","","0.0873","0.1006","","","","","","0.815","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508670","15.27","0.008","11.071","0.006","7.703","0.004","90","","90","","90","","1302.2","1.2","213","2","213","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C6 H5 I -","- C6 H5 I -","- C48 H40 I8 -","8","1","","Merz, Klaus","Substitution Effect on Crystal Packings of Iodobenzonitriles and Iodophenols","Crystal Growth & Design","2006","6","7","1615","","10.1021/cg060067j","","","0.71073","MoKα","","0.0805","0.066","","","0.1666","0.1747","","","","","","1.106","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508671","7.683","0.004","4.16","0.002","21.603","0.012","90","","92.528","0.012","90","","689.8","0.6","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 I N -","- C7 H4 I N -","- C28 H16 I4 N4 -","4","1","","Merz, Klaus","Substitution Effect on Crystal Packings of Iodobenzonitriles and Iodophenols","Crystal Growth & Design","2006","6","7","1615","","10.1021/cg060067j","","","0.71073","MoKα","","0.0575","0.0377","","","0.071","0.0753","","","","","","1.06","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508672","4.629","0.002","9.534","0.004","14.913","0.007","90","","90","","90","","658.2","0.5","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 I O -","- C6 H5 I O -","- C24 H20 I4 O4 -","4","1","","Merz, Klaus","Substitution Effect on Crystal Packings of Iodobenzonitriles and Iodophenols","Crystal Growth & Design","2006","6","7","1615","","10.1021/cg060067j","","","0.71073","MoKα","","0.0248","0.0231","","","0.0588","0.0596","","","","","","1.07","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508673","15.76","0.02","15.76","0.02","10.39","0.02","90","","90","","90","","2581","7","208","2","208","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C6 H5 I O -","- C6 H5 I O -","- C96 H80 I16 O16 -","16","1","","Merz, Klaus","Substitution Effect on Crystal Packings of Iodobenzonitriles and Iodophenols","Crystal Growth & Design","2006","6","7","1615","","10.1021/cg060067j","","","0.71073","MoKα","","0.0392","0.0322","","","0.0824","0.0873","","","","","","1.178","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508674","12.84","0.003","22.688","0.005","19.722","0.004","90","","104.54","0.03","90","","5561","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H79 Mo6 N3 O18 -","- C42 H79 Mo6 N3 O18 -","- C168 H316 Mo24 N12 O72 -","4","1","","Zhu, Yi; Xiao, Zicheng; Ge, Ning; Wang, Na; Wei, Yongge; Wang, Yuan","Naphthyl Amines as Novel Organoimido Ligands for Design of POM-Based Organic−Inorganic Hybrids: Synthesis, Structural Characterization, and Supramolecular Assembly of (Bu4N)2[Mo6O18N(Naph-1)]","Crystal Growth & Design","2006","6","7","1620","","10.1021/cg0600694","","","0.71073","MoKα","","0.1321","0.0352","","","0.0514","0.0607","","","","","","0.635","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508675","7.6049","0.0006","15.2204","0.0012","13.8276","0.0011","90","","90.828","0.001","90","","1600.4","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl2 N4 S Zn -","- C13 H14 Cl2 N4 S Zn -","- C52 H56 Cl8 N16 S4 Zn4 -","4","1","","Zhang, Xuanjun; Zhou, Xiao-Ping; Li, Dan","Anion-Directed Assembly of Macrocycle and Helix","Crystal Growth & Design","2006","6","6","1440","","10.1021/cg060076s","","","0.71073","MoKα","","0.0327","0.0275","","","0.0676","0.0698","","","","","","1.048","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508676","14.5933","0.0013","5.7422","0.0005","23.212","0.002","90","","106.128","0.002","90","","1868.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N6 S3 Zn -","- C15 H14 N6 S3 Zn -","- C60 H56 N24 S12 Zn4 -","4","1","","Zhang, Xuanjun; Zhou, Xiao-Ping; Li, Dan","Anion-Directed Assembly of Macrocycle and Helix","Crystal Growth & Design","2006","6","6","1440","","10.1021/cg060076s","","","0.71073","MoKα","","0.1161","0.0647","","","0.1313","0.1558","","","","","","1.007","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508677","9.428","0.004","22.396","0.009","7.908","0.003","90","","105.951","0.007","90","","1605.5","1.1","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C28 H36 Cd Cl2 N8 O2 S2 -","- C28 H36 Cd Cl2 N8 O2 S2 -","- C56 H72 Cd2 Cl4 N16 O4 S4 -","2","0.25","","Zhang, Xuanjun; Zhou, Xiao-Ping; Li, Dan","Anion-Directed Assembly of Macrocycle and Helix","Crystal Growth & Design","2006","6","6","1440","","10.1021/cg060076s","","","0.71073","MoKα","","0.0395","0.034","","","0.0915","0.1056","","","","","","1.171","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508678","23.4096","0.0014","11.0338","0.0007","15.3731","0.0009","90","","126.411","0.001","90","","3195.6","0.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cd N10 S4 -","- C28 H28 Cd N10 S4 -","- C112 H112 Cd4 N40 S16 -","4","0.5","","Zhang, Xuanjun; Zhou, Xiao-Ping; Li, Dan","Anion-Directed Assembly of Macrocycle and Helix","Crystal Growth & Design","2006","6","6","1440","","10.1021/cg060076s","","","0.71073","MoKα","","0.0312","0.0285","","","0.0726","0.074","","","","","","1.04","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508679","9.207","0.006","9.775","0.006","10.656","0.006","106.63","0.01","95.219","0.011","113.286","0.01","821","0.9","290","2","290","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C20 H12 F2 N O3 -","- C20 H12 F2 N O3 -","- C40 H24 F4 N2 O6 -","2","1","","Chopra, Deepak; Guru Row, Tayur N.","Solvatomorphism in 3-Fluorobenzoylaminophenyl 3-Fluorobenzoate: A Subtle Interplay of Strong Hydrogen Bonds and Weak Intermolecular Interactions Involving Disordered Fluorine","Crystal Growth & Design","2006","6","6","1267","","10.1021/cg060082o","","","0.71073","MoKa","","0.0706","0.0518","","","0.1358","0.1487","","","","","","1.053","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508680","7.9036","0.0013","10.2216","0.0017","12.435","0.002","95.269","0.003","95.215","0.003","96.239","0.003","989.2","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 F2 N O3 -","- C23 H17 F2 N O3 -","- C46 H34 F4 N2 O6 -","2","1","","Chopra, Deepak; Guru Row, Tayur N.","Solvatomorphism in 3-Fluorobenzoylaminophenyl 3-Fluorobenzoate: A Subtle Interplay of Strong Hydrogen Bonds and Weak Intermolecular Interactions Involving Disordered Fluorine","Crystal Growth & Design","2006","6","6","1267","","10.1021/cg060082o","","","0.71073","MoKα","","0.0917","0.0595","","","0.1301","0.1451","","","","","","1.071","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508681","8.345","0.001","6.4396","0.0008","18.615","0.003","90","","96.02","0.01","90","","994.8","0.2","213.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 N O2 -","- C9 H16 N O2 -","- C36 H64 N4 O8 -","4","1","","Yuge, Tetsuharu; Miyata, Mikiji; Tohnai, Norimitsu","Novel Design of Tunable Organic Clay Mimic Structures Based on the Connection of One-Dimensional Supramolecular Synthons","Crystal Growth & Design","2006","6","6","1271","","10.1021/cg0600851","","","1.5419","CuKα","","","0.0521","","","","0.1386","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508682","17.146","0.004","6.448","0.001","22.899","0.005","90","","89.73","0.02","90","","2531.6","0.9","297.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N O2 -","- C12 H18 N O2 -","- C96 H144 N8 O16 -","8","1","","Yuge, Tetsuharu; Miyata, Mikiji; Tohnai, Norimitsu","Novel Design of Tunable Organic Clay Mimic Structures Based on the Connection of One-Dimensional Supramolecular Synthons","Crystal Growth & Design","2006","6","6","1271","","10.1021/cg0600851","","","1.5419","CuKα","","","0.1182","","","","0.3328","","","","","","1.619","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508683","17.87","0.003","6.2519","0.0009","18.688","0.003","90","","111.01","0.01","90","","1949","0.5","213.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N2 O4 -","- C18 H32 N2 O4 -","- C72 H128 N8 O16 -","4","1","","Yuge, Tetsuharu; Miyata, Mikiji; Tohnai, Norimitsu","Novel Design of Tunable Organic Clay Mimic Structures Based on the Connection of One-Dimensional Supramolecular Synthons","Crystal Growth & Design","2006","6","6","1271","","10.1021/cg0600851","","","1.5419","CuKα","","","0.0527","","","","0.1391","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508684","7.8264","0.0013","10.0763","0.0016","14.114","0.002","70.216","0.003","75.354","0.003","81.848","0.003","1011.4","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H29 Cu2 F12 N7 O6 P2 -","- C37 H25 Cu2 F12 N7 O6 P2 -","- C37 H25 Cu2 F12 N7 O6 P2 -","1","1","","Wang, Pingshan; Moorefield, Charles N.; Panzner, Matthew; Newkome, George R.","TerpyridineCuIIPolycarboxylate Crystal Reorganization to One- and Two-Dimensional Nanostructures: Crystal Disassembly and Reassembly","Crystal Growth & Design","2006","6","7","1563","","10.1021/cg060086t","","","0.71073","MoKα","","0.0647","0.0562","","","0.1278","0.133","","","","","","1.05","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508685","12.603","0.003","10.602","0.002","25.621","0.006","90","","95.971","0.004","90","","3404.8","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cu2 N6 O13 -","- C31 H22 Cu2 N6 O13 -","- C124 H88 Cu8 N24 O52 -","4","1","","Wang, Pingshan; Moorefield, Charles N.; Panzner, Matthew; Newkome, George R.","TerpyridineCuIIPolycarboxylate Crystal Reorganization to One- and Two-Dimensional Nanostructures: Crystal Disassembly and Reassembly","Crystal Growth & Design","2006","6","7","1563","","10.1021/cg060086t","","","0.71073","MoKα","","0.0962","0.0621","","","0.1358","0.1474","","","","","","1.033","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508686","7.3361","0.001","10.7496","0.0015","14.028","0.002","90","","90.778","0.003","90","","1106.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cu N2 O5 -","- C10 H10 Cu N2 O5 -","- C40 H40 Cu4 N8 O20 -","4","1","","Eubank, Jarrod F.; Walsh, Rosa D.; Poddar, Pankaj; Srikanth, Hariharan; Larsen, Randy W.; Eddaoudi, Mohamed","Metal−Organic Framework Diversity via Heterocoordination of a Multifunctional Ligand: SrAl2and a Novel (3,4)-Connected Network","Crystal Growth & Design","2006","6","6","1453","","10.1021/cg060087l","","","0.71073","MoKα","","0.0596","0.0508","","","0.1074","0.1114","","","","","","1.115","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508687","14.04","0.003","14.345","0.003","27.756","0.005","90","","90","","90","","5590","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H25 N5 O10 Zn2 -","- C25 H25 N5 O10 Zn2 -","- C200 H200 N40 O80 Zn16 -","8","1","","Eubank, Jarrod F.; Walsh, Rosa D.; Poddar, Pankaj; Srikanth, Hariharan; Larsen, Randy W.; Eddaoudi, Mohamed","Metal−Organic Framework Diversity via Heterocoordination of a Multifunctional Ligand: SrAl2and a Novel (3,4)-Connected Network","Crystal Growth & Design","2006","6","6","1453","","10.1021/cg060087l","","","0.71073","MoKα","","0.1045","0.0707","","","0.1738","0.2027","","","","","","0.913","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508688","16.388","0.008","23.059","0.009","9.008","0.006","90","","90","","90","","3404","3","296.1","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H12 Cu2 Mo N12 -","- C8 H12 Cu2 Mo N12 -","- C64 H96 Cu16 Mo8 N96 -","8","0.5","","Hozumi, Toshiya; Nuida, Tomohiro; Hashimoto, Kazuhito; Ohkoshi, Shin-ichi","Crystal Structure and Nonlinear Optical Effect of a Pyroelectric Crystal Composed of a Cyano-Bridged Cu−Mo Assembly","Crystal Growth & Design","2006","6","8","1736","","10.1021/cg060093h","","","0.71075","MoKα","","","0.0185","","","","0.0409","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508689","4.535","0.002","17.557","0.003","24.498","0.005","90","","90","","90","","1950.6","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phenol, 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-4-nitro","","- C23 H19 N3 O5 -","- C23 H19 N3 O5 -","- C92 H76 N12 O20 -","4","1","","Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem","Chromotropic Behavior of Lophine Nitro-Derivatives","Crystal Growth & Design","2006","6","10","2281","","10.1021/cg0600952","","","0.71073","MoKα","","0.1207","0.0358","","","0.0539","0.0619","","","","","","0.634","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508690","8.954","0.002","9.943","0.002","14.841","0.003","90.99","0.02","97.6","0.02","105.38","0.02","1260.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenol, 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-4-nitro 1,4-Dioxane clathrate","","- C27 H27 N3 O7 -","- C27 H27 N3 O7 -","- C54 H54 N6 O14 -","2","1","","Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem","Chromotropic Behavior of Lophine Nitro-Derivatives","Crystal Growth & Design","2006","6","10","2281","","10.1021/cg0600952","","","0.71073","MoKα","","0.1011","0.0479","","","0.1128","0.1332","","","","","","0.802","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508691","20.256","0.004","17.013","0.003","7.942","0.002","90","","107.56","0.02","90","","2609.4","1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Phenol, 2-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-4-nitro 2-Salicylaldehyde clathrate","","- C30 H25 N3 O7 -","- C30 H25 N3 O7 -","- C120 H100 N12 O28 -","4","1","","Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem","Chromotropic Behavior of Lophine Nitro-Derivatives","Crystal Growth & Design","2006","6","10","2281","","10.1021/cg0600952","","","0.71073","MoKα","","0.0709","0.0463","","","0.1035","0.1207","","","","","","1","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508692","13.486","0.003","12.28","0.003","12.404","0.003","90","","92.69","0.02","90","","2051.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Phenol, 2-[4,5-bis(4-methoxyphenyl)-2-yl]-4-nitro-imidazolium hydrate","","- C23 H19 N3 O5.18 -","- C23 H19 N3 O5.185 -","- C92 H76 N12 O20.74 -","4","1","","Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem","Chromotropic Behavior of Lophine Nitro-Derivatives","Crystal Growth & Design","2006","6","10","2281","","10.1021/cg0600952","","","0.71073","MoKα","","0.1026","0.0402","","","0.086","0.0949","","","","","","0.756","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508693","6.63","0.002","8.975","0.002","16.408","0.003","88.73","0.01","89.67","0.01","79.51","0.01","959.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenol, 2-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-4-nitro","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C46 H38 N6 O6 -","2","1","","Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem","Chromotropic Behavior of Lophine Nitro-Derivatives","Crystal Growth & Design","2006","6","10","2281","","10.1021/cg0600952","","","0.71073","MoKα","","0.098","0.0489","","","0.1183","0.1362","","","","","","0.925","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508694","8.095","0.002","9.525","0.002","14.306","0.003","93.67","0.01","96.6","0.01","96.91","0.01","1084.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenol, 2-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-4-nitro 1,4-Dioxane chlathrate","","- C25 H23 N3 O4 -","- C25 H23 N3 O4 -","- C50 H46 N6 O8 -","2","1","","Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem","Chromotropic Behavior of Lophine Nitro-Derivatives","Crystal Growth & Design","2006","6","10","2281","","10.1021/cg0600952","","","0.71073","MoKα","","0.0741","0.0494","","","0.1427","0.1528","","","","","","1.023","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508695","11.682","0.002","16.8","0.003","12.929","0.003","90","","105.4","0.03","90","","2446.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N2 O4 Zn -","- C28 H18 N2 O4 Zn -","- C112 H72 N8 O16 Zn4 -","4","1","","Wang, Xin-Long; Qin, Chao; Wang, En-Bo; Xu, Lin","Supramolecular Self-Assembly of Zigzag Coordination Polymer Chains: A Fascinating Three-Dimensional Polycatenated Network Featuring an Uneven “Density of Catenations” and a Three-Dimensional Porous Network","Crystal Growth & Design","2006","6","9","2061","","10.1021/cg0600997","","","0.71073","MoKα","","0.0805","0.0543","","","0.1241","0.1369","","","","","","1.045","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508696","10.257","0.002","18.988","0.004","15.296","0.003","90","","105.51","0.03","90","","2870.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cd N2 O6 -","- C28 H22 Cd N2 O6 -","- C112 H88 Cd4 N8 O24 -","4","1","","Wang, Xin-Long; Qin, Chao; Wang, En-Bo; Xu, Lin","Supramolecular Self-Assembly of Zigzag Coordination Polymer Chains: A Fascinating Three-Dimensional Polycatenated Network Featuring an Uneven “Density of Catenations” and a Three-Dimensional Porous Network","Crystal Growth & Design","2006","6","9","2061","","10.1021/cg0600997","","","0.71073","MoKα","","0.0808","0.052","","","0.1249","0.1393","","","","","","1.035","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508697","12.762","0.003","12.001","0.002","12.175","0.002","90","","117.98","0.02","90","","1646.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1H-Imidazole, 2,2'-(1,4-phenylene)bis[1-methyl-4,5-diphenyl] Methanol chlathrate","","- C40 H38 N4 O2 -","- C40 H38 N4 O2 -","- C80 H76 N8 O4 -","2","0.5","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.2159","0.0507","","","0.0934","0.1142","","","","","","0.729","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508698","20.254","0.004","11.561","0.002","30.395","0.006","90","","99.89","0.02","90","","7011","2","230","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Imidazole, 2,2'-(2,5-thiophenediyl)bis[4,5-diphenyl]-(8CI)","","- C38 H34 N6 O2 S -","- C38 H34 N6 O2 S -","- C304 H272 N48 O16 S8 -","8","1","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.0948","0.0516","","","0.1192","0.1327","","","","","","0.976","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508699","11.057","0.002","12.024","0.002","13.433","0.003","74.34","0.02","83.28","0.02","84.33","0.02","1703.6","0.6","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","Imidazole, 2,2'-(2,5-thiophenediyl)bis[4,5-diphenyl] with acetic acid","","- C39 H32 N4 O5 S -","- C39 H32 N4 O5 S -","- C78 H64 N8 O10 S2 -","2","1","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.1259","0.0573","","","0.1591","0.1745","","","","","","0.905","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508700","17.143","0.003","19.147","0.004","11.536","0.002","90","","96.79","0.02","90","0.002","3760","1.2","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Imidazole, 2,2'-(2,5-thiophenediyl)bis[4,5-diphenyl] DMF dihydrate","","- C40 H24 N6 O4 S -","- C40 H24 N6 O4 S -","- C160 H96 N24 O16 S4 -","4","1","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.18","0.0876","","","0.2167","0.2557","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508701","23.728","0.005","9.962","0.002","12.387","0.002","90","","104.43","0.02","90","","2835.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1H-Imidazole, 2,2'-(2,5-thiophenediyl)bis[1-methyl-4,5-diphenyl]","","- C36 H28 N4 S -","- C36 H28 N4 S -","- C144 H112 N16 S4 -","4","0.5","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.0795","0.0439","","","0.0995","0.1074","","","","","","0.896","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508702","10.121","0.002","14.163","0.003","15.828","0.003","66.47","0.01","82.71","0.02","69.57","0.01","1949.1","0.7","230","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,2'-(1,4-phenylene)bis[4,5-diphenyl-1H-imidazole] (9CI) Acetic acid clathrate","","- C44 H42 N4 O8 -","- C44 H42 N4 O8 -","- C88 H84 N8 O16 -","2","1","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.1267","0.0515","","","0.1023","0.1182","","","","","","0.904","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508703","6.216","0.002","17.198","0.003","16.983","0.003","90","","93.35","0.02","90","","1812.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-(1,4-phenylene)bis[4,5-diphenyl-1H-imidazole] (9CI) DMF chlathrate","","- C42 H40 N6 O2 -","- C42 H26 N6 O2 -","- C84 H52 N12 O4 -","2","0.5","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.1232","0.0566","","","0.1667","0.1837","","","","","","0.903","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508704","10.671","0.002","12.175","0.002","18.115","0.004","70.58","0.01","87.17","0.02","68.83","0.01","2063.1","0.7","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","1H-imidazol, 2,2'-[1,4-phenylene)bis[(4-methoxyphenyl)","","- C43 H40 N5 O10 -","- C43 H40 N5 O10 -","- C86 H80 N10 O20 -","2","1","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.1397","0.0698","","","0.1996","0.2225","","","","","","0.929","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508705","17.535","0.003","25.094","0.005","20.924","0.004","90","","113.45","0.02","90","","8447","3","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1H-Imidazol, 2,2'-(2,5-thiophenediyl)bis[4,5-bis(4-methoxyphenyl)]","","- C44 H48 N4 O8 S -","- C44 H48 N4 O8 S -","- C352 H384 N32 O64 S8 -","8","2","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.172","0.0423","","","0.0741","0.0864","","","","","","0.72","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508706","11.2128","0.0009","5.9293","0.0005","22.0413","0.0019","90","","95.928","0.002","90","","1457.6","0.2","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 B2 O4 -","- C18 H12 B2 O4 -","- C72 H48 B8 O16 -","4","0.5","","Niu, Weijun; Smith, Mark D.; Lavigne, John J.","Substituent Effects on the Structure and Supramolecular Assembly of Bis(dioxaborole)s Derived from 1,2,4,5-Tetrahydroxybenzene","Crystal Growth & Design","2006","6","6","1274","","10.1021/cg0601148","","","0.71073","MoKα","","0.0512","0.0414","","","0.0956","0.0986","","","","","","1.107","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508707","5.884","0.0011","6.1283","0.0012","15.614","0.003","83.34","0.004","88.191","0.004","68.8","0.003","521.35","0.17","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 B2 O6 -","- C24 H24 B2 O6 -","- C24 H24 B2 O6 -","1","0.5","","Niu, Weijun; Smith, Mark D.; Lavigne, John J.","Substituent Effects on the Structure and Supramolecular Assembly of Bis(dioxaborole)s Derived from 1,2,4,5-Tetrahydroxybenzene","Crystal Growth & Design","2006","6","6","1274","","10.1021/cg0601148","","","0.71073","MoKα","","0.0404","0.0359","","","0.089","0.0921","","","","","","1.043","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508708","6.3967","0.0005","6.9843","0.0006","12.2171","0.001","95.919","0.001","104.683","0.001","96.679","0.001","519.39","0.07","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 B2 O6 -","- C24 H24 B2 O6 -","- C24 H24 B2 O6 -","1","0.5","","Niu, Weijun; Smith, Mark D.; Lavigne, John J.","Substituent Effects on the Structure and Supramolecular Assembly of Bis(dioxaborole)s Derived from 1,2,4,5-Tetrahydroxybenzene","Crystal Growth & Design","2006","6","6","1274","","10.1021/cg0601148","","","0.71073","MoKα","","0.0385","0.0362","","","0.0951","0.0972","","","","","","1.091","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508709","6.446","0.005","8.022","0.006","11.991","0.008","90","","104.51","0.011","90","","600.3","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-amino-2-chloropyridine","3-amino-2-chloropyridine","","- C5 H5 Cl N2 -","- C5 H5 Cl N2 -","- C20 H20 Cl4 N8 -","4","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0571","0.0429","","","0.1117","0.1222","","","","","","1.045","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508710","11.5563","0.0012","12.7285","0.0013","3.8875","0.0004","90","","90","","90","","571.83","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-bromo-3-hydroxypyridine","2-bromo-3-hydroxypyridine","","- C5 H4 Br N O -","- C5 H4 Br N O -","- C20 H16 Br4 N4 O4 -","4","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0207","0.0198","","","0.0502","0.0507","","","","","","1.041","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508711","23.069","0.004","25.231","0.004","3.8429","0.0006","90","","90","","90","","2236.8","0.6","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","2-chloro-3-pyridinol","2-chloro-3-pyridinol","","- C5 H4 Cl N O -","- C5 H4 Cl N O -","- C80 H64 Cl16 N16 O16 -","16","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0308","0.0295","","","0.0756","0.0764","","","","","","1.096","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508712","11.5329","0.0011","12.8331","0.0012","4.2475","0.0004","90","","90","","90","","628.64","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-iodo-3-hydroxypyridine","2-iodo-3-hydroxypyridine","","- C5 H4 I N O -","- C5 H4 I N O -","- C20 H16 I4 N4 O4 -","4","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0173","0.0172","","","0.0456","0.0457","","","","","","1.231","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508713","11.053","0.002","9.6151","0.0019","11.316","0.002","90","","100.64","0.03","90","","1181.9","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-hydroxy-2-methylpyridine","3-hydroxy-2-methylpyridine","","- C6 H7 N O -","- C6 H7 N O -","- C48 H56 N8 O8 -","8","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.2062","0.1495","","","0.2791","0.305","","","","","","1.323","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508714","3.8571","0.0005","12.3235","0.0015","12.5884","0.0015","90","","90","","90","","598.36","0.13","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Br N O2 -","- C6.66667 H5.33333 Br1.33333 N1.33333 O2.66667 -","- C20 H16 Br4 N4 O8 -","3","0.75","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0275","0.0252","","","0.0584","0.0589","","","","","","1.041","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508715","11.2712","0.0014","12.7754","0.0016","3.7794","0.0005","90","","90","","90","","544.21","0.12","100","","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-chloro-3-hydroxypyridine-N-oxide","2-chloro-3-hydroxypyridine-N-oxide","","- C5 H4 Cl N O2 -","- C5 H4 Cl N O2 -","- C20 H16 Cl4 N4 O8 -","4","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0294","0.0266","","","0.0607","0.0617","","","","","","1.058","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508716","6.3536","0.0008","6.5014","0.0008","6.9499","0.0008","113.794","0.002","99.65","0.002","106.93","0.002","237.59","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","3-hydroxypyridine-N-oxide","3-hydroxypyridine-N-oxide","","- C5 H5 N O2 -","- C5 H5 N O2 -","- C10 H10 N2 O4 -","2","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0416","0.0398","","","0.1037","0.1055","","","","","","1.115","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508717","4.6258","0.0009","10.3353","0.0019","12.677","0.002","90","","99.27","0.003","90","","598.16","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Hydroxy-2-methylpyridine-N-oxide","3-Hydroxy-2-methylpyridine-N-oxide","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C24 H28 N4 O8 -","4","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0823","0.0487","","","0.1181","0.1346","","","","","","1.036","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508718","7.9689","0.0005","13.1908","0.0008","11.6096","0.0007","90","","104.686","0.001","90","","1180.49","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-amino-2-bromopyridine","3-amino-2-bromopyridine","","- C5 H5 Br N2 -","- C5 H5 Br N2 -","- C40 H40 Br8 N16 -","8","4","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0254","0.0243","","","0.0584","0.0588","","","","","","1.036","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508719","16.5263","0.0016","6.073","0.0006","9.0693","0.0009","90","","100.973","0.002","90","","893.59","0.15","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(p-tolylethyl)benzene","","- C24 H26 -","- C24 H26 -","- C48 H52 -","2","0.5","","Filatov, Alexander S.; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Gas-Phase Assembling of Dirhodium Units into a Novel Organometallic Ladder: Structural and DFT Study","Crystal Growth & Design","2006","6","6","1479","","10.1021/cg060118c","","","0.71073","MoKα","","0.0658","0.0527","","","0.1691","0.1795","","","","","","1.05","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508720","8.3981","0.0004","8.6539","0.0005","17.9261","0.0009","98.837","0.001","97.208","0.001","103.312","0.001","1235.1","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","((eta2/eta2-(1,4-Bis(p-tolylethyl)benzene)- bis[tetra(mu2-trifluoroacetato-O,O')-dirhodium (II,II)]","","- C40 H26 F24 O16 Rh4 -","- C40 H26 F24 O16 Rh4 -","- C40 H26 F24 O16 Rh4 -","1","0.5","","Filatov, Alexander S.; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Gas-Phase Assembling of Dirhodium Units into a Novel Organometallic Ladder: Structural and DFT Study","Crystal Growth & Design","2006","6","6","1479","","10.1021/cg060118c","","","0.71073","MoKα","","0.0401","0.0321","","","0.077","0.0811","","","","","","1.042","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508721","7.338","0.0007","12.1335","0.0012","10.6396","0.001","90","","94.978","0.002","90","","943.73","0.16","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","05249a","N,N-dimethylpiperidinium iodide","","- C7 H16 I N -","- C7 H16 I N -","- C28 H64 I4 N4 -","4","1","","Henderson, Wesley A.; Young, Jr., Victor G.; Fylstra, Paul; De Long, Hugh C.; Trulove, Paul C.","Crystal Packing, Steric Effects, and Heteroatoms: Comparison of N,N-Dimethylpyrrolidinium, Piperidinium, and Morpholinium Iodide Salts","Crystal Growth & Design","2006","6","7","1645","1648","10.1021/cg0601249","","","0.71073","MoKα","","0.0179","0.0153","","","0.0377","0.0387","","","","","","1.046","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508722","14.115","0.003","11.592","0.003","17.743","0.004","90","","92.529","0.004","90","","2900.3","1.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C31 H32 O11 S -","- C31 H32 O11 S -","- C124 H128 O44 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0532","0.0484","","","0.123","0.1269","","","","","","1.024","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508723","31.182","0.004","11.2219","0.0013","22.715","0.003","90","","109.948","0.002","90","","7471.6","1.6","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.5 H35 O11 S -","- C35.5 H35 O11 S -","- C284 H280 O88 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0908","0.067","","","0.1727","0.1853","","","","","","0.944","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508724","30.561","0.017","10.925","0.006","22.255","0.012","90","","114.922","0.01","90","","6739","6","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C32.38 H34.75 Cl2.75 O11 S -","- C32.375 H34.75 Cl2.75 O11 S -","- C259 H278 Cl22 O88 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.1248","0.0905","","","0.199","0.2186","","","","","","1.072","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508725","31.047","0.006","11.2665","0.0018","22.631","0.004","90","","109.88","0.004","90","","7444","2","133","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.5 H40 O11.25 S -","- C35.5 H40 O11.25 S -","- C284 H320 O90 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0818","0.071","","","0.1969","0.2095","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508726","30.623","0.009","11.129","0.004","22.529","0.007","90","","111.05","0.005","90","","7166","4","133","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C37.75 H39.25 N1.5 O11.38 S -","- C37.75 H39.25 N1.5 O11.375 S -","- C302 H314 N12 O91 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0532","0.05","","","0.1452","0.1489","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508727","15.937","0.004","11.054","0.003","22.206","0.006","90","","108.432","0.004","90","","3711.3","1.7","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C36.5 H43 O13.75 S -","- C36.5 H43 O13.75 S -","- C146 H172 O55 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.1149","0.0911","","","0.247","0.2697","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508728","30.675","0.006","11.218","0.002","22.323","0.005","90","","113.729","0.006","90","","7032","2","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.25 H37.5 O12 S -","- C35.25 H37.5 O12.0625 S -","- C282 H300 O96.5 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0637","0.0606","","","0.169","0.1723","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508729","30.896","0.003","10.9667","0.0011","22.408","0.002","90","","111.469","0.002","90","","7065.6","1.2","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.75 H35.75 N0.88 O11.38 S -","- C35.8125 H35.75 N0.8125 O11.375 S -","- C286.5 H286 N6.5 O91 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.101","0.0783","","","0.2127","0.2344","","","","","","1.041","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508730","15.966","0.003","11.068","0.003","22.264","0.005","90","","108.676","0.004","90","","3727.1","1.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C36 H42 O13.25 S -","- C36 H42 O13.25 S -","- C144 H168 O53 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0992","0.0704","","","0.1771","0.1975","","","","","","1.05","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508731","10.6431","0.0011","13.1303","0.0014","27.821","0.003","82.913","0.013","84.926","0.013","71.503","0.012","3653.9","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[{Cu(acac)(bipy)}2{Au(CN)2}](ClO4)","","","- C33 H31.5 Au Cl Cu2 N6.5 O8 -","- C33 H31.5 Au Cl Cu2 N6.5 O8 -","- C132 H126 Au4 Cl4 Cu8 N26 O32 -","4","2","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Rational Design of Supramolecular Gridlike Layers and Zigzag Chains through a Unique Interplay of d10−d10and π−π Stacking Interactions","Crystal Growth & Design","2006","6","7","1671","","10.1021/cg060131x","","","0.71073","MoKα","","0.0662","0.0509","","","0.118","0.124","","","","","","0.956","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508732","10.5948","0.0011","13.1741","0.0013","27.89","0.003","82.883","0.013","85.199","0.013","71.672","0.012","3662.7","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[{Cu(acac)(bipy)}2{Ag(CN)2}](ClO4)","","","- C33 H31.5 Ag Cl Cu2 N6.5 O8 -","- C33 H31.5 Ag Cl Cu2 N6.5 O8 -","- C132 H126 Ag4 Cl4 Cu8 N26 O32 -","4","2","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Rational Design of Supramolecular Gridlike Layers and Zigzag Chains through a Unique Interplay of d10−d10and π−π Stacking Interactions","Crystal Growth & Design","2006","6","7","1671","","10.1021/cg060131x","","","0.71073","MoKα","","0.0763","0.0437","","","0.097","0.1075","","","","","","0.901","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508733","11.2946","0.001","13.2756","0.0011","28.455","0.003","82.17","0.011","81.393","0.012","69.467","0.01","3934.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[{Cu(acac)(phen)}2{Ag(CN)2}](ClO4)","","","- C36 H30 Ag Cl Cu2 N6 O8 -","- C36 H30 Ag Cl Cu2 N6 O8 -","- C144 H120 Ag4 Cl4 Cu8 N24 O32 -","4","2","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Rational Design of Supramolecular Gridlike Layers and Zigzag Chains through a Unique Interplay of d10−d10and π−π Stacking Interactions","Crystal Growth & Design","2006","6","7","1671","","10.1021/cg060131x","","","0.7107","MoKα","","0.1202","0.0575","","","0.1331","0.1571","","","","","","0.89","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508734","12.2575","0.0013","13.6244","0.0008","23.0234","0.0017","90.406","0.006","100.333","0.008","94.192","0.005","3771.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[{Cu(acac)(phen)}2{Au(CN)2}](ClO4)","","","- C36 H30 Au Cl Cu2 N6 O8 -","- C36 H30 Au Cl Cu2 N6 O8 -","- C144 H120 Au4 Cl4 Cu8 N24 O32 -","4","2","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Rational Design of Supramolecular Gridlike Layers and Zigzag Chains through a Unique Interplay of d10−d10and π−π Stacking Interactions","Crystal Growth & Design","2006","6","7","1671","","10.1021/cg060131x","","","0.7107","MoKα","","0.1556","0.0529","","","0.0931","0.1166","","","","","","0.974","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508735","11.1506","0.0012","13.4704","0.0012","28.35","0.003","83.315","0.008","82.568","0.008","68.127","0.008","3907.7","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[{Cu(acac)(phen)}2{Au(CN)2}](ClO4)","","","- C37 H31.5 Au Cl Cu2 N6.5 O8 -","- C37 H31.5 Au Cl Cu2 N6.5 O8 -","- C148 H126 Au4 Cl4 Cu8 N26 O32 -","4","2","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Rational Design of Supramolecular Gridlike Layers and Zigzag Chains through a Unique Interplay of d10−d10and π−π Stacking Interactions","Crystal Growth & Design","2006","6","7","1671","","10.1021/cg060131x","","","0.7107","MoKα","","0.145","0.058","","","0.1132","0.1361","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508736","20.2704","0.0008","10.254","0.0004","17.732","0.0008","90","","94.988","0.003","90","","3671.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[{Cu(sal)(bipy)}{Ag(CN)2}]","","","- C19 H13 Ag Cu N4 O2 -","- C19 H13 Ag Cu N4 O2 -","- C152 H104 Ag8 Cu8 N32 O16 -","8","1","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Rational Design of Supramolecular Gridlike Layers and Zigzag Chains through a Unique Interplay of d10−d10and π−π Stacking Interactions","Crystal Growth & Design","2006","6","7","1671","","10.1021/cg060131x","","","0.7107","MoKα","","0.1172","0.0384","","","0.0568","0.0697","","","","","","0.984","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4508737","20.0353","0.0011","9.0755","0.0005","21.8692","0.0012","90","","96.769","0.002","90","","3948.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H65 Cl8 N22 O5.5 Zn4 -","- C62 H56 Cl8 N22 O5.5 Zn4 -","- C124 H112 Cl16 N44 O11 Zn8 -","2","0.5","","Mooibroek, Tiddo J.; Teat, Simon J.; Massera, Chiara; Gamez, Patrick; Reedijk, Jan","Crystallographic and Theoretical Evidence of Acetonitrile−π Interactions with the Electron-Deficient 1,3,5-Triazine Ring","Crystal Growth & Design","2006","6","7","1569","","10.1021/cg060144a","","","0.6894","synchrotron","","0.083","0.0706","","","0.1985","0.2064","","","","","","1.105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508738","11.025","0.0001","25.8624","0.0004","24.504","0.0004","90","","99.042","0.001","90","","6900.07","0.17","295","1","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H57 Cl12 N4 O8 P -","- C65 H57 Cl12 N4 O8 P -","- C260 H228 Cl48 N16 O32 P4 -","4","1","","Sénéchal-David, Katell; Toupet, Loïc; Maury, Olivier; Le Bozec, Hubert","Supramolecular Solid-State Interactions between Helicene-like Terpyridinium Cation and Tris(tetrachloro-benzenediolato)phosphate(V) (TRISPHAT) Anion","Crystal Growth & Design","2006","6","6","1493","","10.1021/cg060147n","","","0.71069","MoKα","","0.1432","0.0847","","","0.2228","0.2571","","","","","","1.08","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508739","6.7508","0.0002","8.3046","0.0003","10.8924","0.0004","87.794","0.002","83.849","0.002","83.473","0.002","602.99","0.04","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C14 H18 Ag2 F8 O8 S4 -","- C14 H18 Ag2 F8 O8 S4 -","- C14 H18 Ag2 F8 O8 S4 -","1","0.5","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0356","0.0337","","","0.0919","0.0946","","","","","","0.808","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508740","8.9793","0.0002","16.7321","0.0004","21.4072","0.0005","90","","90","","90","","3216.27","0.13","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Ag2 N2 O6 S4 -","- C6 H16 Ag2 N2 O6 S4 -","- C48 H128 Ag16 N16 O48 S32 -","8","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0688","0.0531","","","0.1247","0.13","","","","","","0.996","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508741","20.8995","0.0001","8.8901","0.0001","9.4567","0.0001","90","","90","","90","","1757.04","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 Ag2 Cl2 O8 S4 -","- C6 H16 Ag2 Cl2 O8 S4 -","- C24 H64 Ag8 Cl8 O32 S16 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0457","0.0451","","","0.1122","0.1124","","","","","","1.017","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508742","18.0705","0.0002","11.3354","0.0001","8.5295","0.0001","90","","93.624","0.001","90","","1743.66","0.03","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Ag2 Cl2 O8 S4 -","- C6 H16 Ag2 Cl2 O8 S4 -","- C24 H64 Ag8 Cl8 O32 S16 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0428","0.0378","","","0.0884","0.0906","","","","","","0.994","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508743","10.992","0.0001","8.7129","0.0001","28.4137","0.0003","90","","90","","90","","2721.24","0.05","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Ag2 O6 S6 -","- C20 H30 Ag2 O6 S6 -","- C80 H120 Ag8 O24 S24 -","4","0.5","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0347","0.0311","","","0.0776","0.0793","","","","","","1.013","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508744","10.4756","0.0002","10.8952","0.0002","8.9067","0.0001","90","","90","","90","","1016.56","0.03","293","2","293","2","","","","","","","Synthesized by the authors. See text","6","P c a 21","P 2c -2ac","29","","","","- C5 H8 Ag F3 O2 S2 -","- C5 H8 Ag F3 O2 S2 -","- C20 H32 Ag4 F12 O8 S8 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0695","0.0682","","","0.1595","0.1607","","","","","","1.115","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508745","10.7139","0.0001","13.4083","0.0002","8.9523","0.0001","90","","90","","90","","1286.04","0.03","200","2","200","2","","","","","","","Synthesized by the authors. See text","6","P c a 21","P 2c -2ac","29","","","","- C7 H8 Ag F7 O2 S2 -","- C7 H8 Ag F7 O2 S2 -","- C28 H32 Ag4 F28 O8 S8 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0485","0.0459","","","0.1087","0.11","","","","","","1.041","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508746","9.0925","0.0001","21.6699","0.0003","11.0192","0.0002","90","","90.147","0.001","90","","2171.15","0.06","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Ag2 F6 O6 S6 -","- C8 H16 Ag2 F6 O6 S6 -","- C32 H64 Ag8 F24 O24 S24 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0269","0.0244","","","0.0643","0.0658","","","","","","1.031","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508747","6.8647","0.0001","7.6822","0.0001","12.3591","0.0002","78.926","0.001","87.441","0.001","74.335","0.001","615.858","0.016","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C10 H13 Ag O2 S2 -","- C10 H13 Ag O2 S2 -","- C20 H26 Ag2 O4 S4 -","2","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0315","0.0305","","","0.0798","0.0806","","","","","","0.987","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508748","9.6279","0.0005","7.4958","0.0004","13.572","0.0007","90","","91.702","0.002","90","","979.04","0.09","200","2","200","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H11 Ag O3 S3 -","- C4 H11 Ag O3 S3 -","- C16 H44 Ag4 O12 S12 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.027","0.0262","","","0.0732","0.0737","","","","","","1.08","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508749","6.0656","0.0012","7.3703","0.0015","8.6387","0.0017","100.94","0.03","95.16","0.03","112.1","0.03","345.75","0.16","85","2","85","2","","","","","","","","5","P -1","-P 1","2","CuBr2(2-BrPy)2","","","- C10 H8 Br4 Cu N2 -","- C10 H8 Br4 Cu N2 -","- C10 H8 Br4 Cu N2 -","1","0.5","","Awwadi, Firas F.; Willett, Roger D.; Haddad, Salim F.; Twamley, Brendan","The Electrostatic Nature of Aryl−Bromine−Halide Synthons: The Role of Aryl−Bromine−Halide Synthons in the Crystal Structures of thetrans-Bis(2-bromopyridine)dihalocopper(II) andtrans-Bis(3-bromopyridine)dihalocopper(II) Complexes","Crystal Growth & Design","2006","6","8","1833","","10.1021/cg060154b","","","0.71073","MoKα","","0.0362","0.0346","","","0.0915","0.0926","","","","","","1.064","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508750","8.49","0.0017","6.3858","0.0013","12.712","0.003","90","","96.46","0.03","90","","684.8","0.3","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2-BrPyH)2CuCl2","","","- C10 H8 Br2 Cl2 Cu N2 -","- C10 H8 Br2 Cl2 Cu N2 -","- C20 H16 Br4 Cl4 Cu2 N4 -","2","0.5","","Awwadi, Firas F.; Willett, Roger D.; Haddad, Salim F.; Twamley, Brendan","The Electrostatic Nature of Aryl−Bromine−Halide Synthons: The Role of Aryl−Bromine−Halide Synthons in the Crystal Structures of thetrans-Bis(2-bromopyridine)dihalocopper(II) andtrans-Bis(3-bromopyridine)dihalocopper(II) Complexes","Crystal Growth & Design","2006","6","8","1833","","10.1021/cg060154b","","","0.71073","MoKα","","0.0291","0.0249","","","0.0614","0.063","","","","","","1.084","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508751","3.9355","0.0016","13.929","0.006","12.236","0.005","90","","90.337","0.009","90","","670.7","0.5","81","2","81","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(3-Brpy)2CuBr2","","","- C10 H8 Br4 Cu N2 -","- C10 H8 Br4 Cu N2 -","- C20 H16 Br8 Cu2 N4 -","2","0.5","","Awwadi, Firas F.; Willett, Roger D.; Haddad, Salim F.; Twamley, Brendan","The Electrostatic Nature of Aryl−Bromine−Halide Synthons: The Role of Aryl−Bromine−Halide Synthons in the Crystal Structures of thetrans-Bis(2-bromopyridine)dihalocopper(II) andtrans-Bis(3-bromopyridine)dihalocopper(II) Complexes","Crystal Growth & Design","2006","6","8","1833","","10.1021/cg060154b","","","0.71073","MoKα","","0.0467","0.0438","","","0.1125","0.1144","","","","","","1.095","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508752","9.575","0.002","13.793","0.002","10.567","0.002","90","","106.02","0.02","90","","1341.4","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethane)Zinc(II)]","","- C14 H12 N2 O4 Zn -","- C14 H12 N2 O4 Zn -","- C56 H48 N8 O16 Zn4 -","4","0.5","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.0813","0.0467","","","0.0913","0.0983","","","","","","0.882","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508753","9.485","0.003","13.935","0.004","10.987","0.003","90","","105.22","0.03","90","","1401.3","0.7","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethane)Manganese(II)]","","- C14 H12 Mn N2 O4 -","- C14 H12 Mn N2 O4 -","- C56 H48 Mn4 N8 O16 -","4","0.5","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.1292","0.0466","","","0.0708","0.0847","","","","","","0.757","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508754","9.57","0.001","13.777","0.001","10.82","0.001","90","","106.01","0.01","90","","1371.2","0.2","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethane)Iron(II)]","","- C14 H12 Fe N2 O4 -","- C14 H12 Fe N2 O4 -","- C56 H48 Fe4 N8 O16 -","4","0.5","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.1064","0.0525","","","0.1191","0.1366","","","","","","0.965","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508755","9.517","0.003","13.406","0.003","10.877","0.003","90","","106.2","0.03","90","","1332.6","0.7","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethane)Copper(II)]","","- C14 H12 Cu N2 O4 -","- C14 H12 Cu N2 O4 -","- C56 H48 Cu4 N8 O16 -","4","0.5","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.0856","0.0437","","","0.1187","0.1253","","","","","","0.842","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508756","5.377","0.002","10.198","0.004","13.688","0.005","90","","90","","90","","750.6","0.5","293","2","293","2","","","","","","","synthesis as described","5","I m m m","-I 2 2","71","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethylene)Zinc(II)]","","- C14 H10 N2 O4 Zn -","- C14 H10 N2 O4 Zn -","- C28 H20 N4 O8 Zn2 -","2","0.125","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.1077","0.0625","","","0.1113","0.1269","","","","","","0.778","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4508757","5.4","0.001","10.157","0.002","13.631","0.002","90","","90","","90","","747.6","0.2","293","2","293","2","","","","","","","synthesis as described","5","I m m m","-I 2 2","71","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethylene)Cobalt(II)]","","- C14 H10 Co N2 O4 -","- C14 H10 Co N2 O4 -","- C28 H20 Co2 N4 O8 -","2","0.125","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.0639","0.06","","","0.1628","0.1669","","","","","","1.077","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4508758","5.489","0.001","10.153","0.003","13.777","0.004","90","","90","","90","","767.8","0.3","293","2","293","2","","","","","","","synthesis as described","5","I m m m","-I 2 2","71","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethylene)Iron(II)]","","- C14 H10 Fe N2 O4 -","- C14 H10 Fe N2 O4 -","- C28 H20 Fe2 N4 O8 -","2","0.125","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.0827","0.0604","","","0.1531","0.1618","","","","","","0.957","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4508759","5.51","0.002","10.242","0.003","13.436","0.004","90","","90","","90","","758.2","0.4","293","2","293","2","","","","","","","synthesis as described","5","I m m m","-I 2 2","71","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethylene)copper(II)]","","- C14 H10 Cu N2 O4 -","- C14 H10 Cu N2 O4 -","- C28 H20 Cu2 N4 O8 -","2","0.125","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.0919","0.0452","","","0.0858","0.0919","","","","","","0.835","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4508760","12.8483","0.0009","13.6336","0.001","19.7751","0.0014","106.23","0.001","96.082","0.001","99.37","0.001","3239.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H70 Mo20 N14 O113 P8 -","- C42 H70 Mo20 N14 O113 P8 -","- C42 H70 Mo20 N14 O113 P8 -","1","0.5","","Upreti, Shailesh; Ramanan, A.","Role of Hydrogen-Bonded Interactions in the Crystal Packing of Phenylenediammonium Phosphomolybdates","Crystal Growth & Design","2006","6","9","2066","","10.1021/cg0601610","","","0.71073","MoKα","","0.0395","0.0367","","","0.1007","0.1041","","","","","","1.054","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508761","12.3467","0.0017","18.251","0.002","15.975","0.002","90","","111.794","0.002","90","","3342.5","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 Mo5 N4 O27 P2 -","- C12 H30 Mo5 N4 O27 P2 -","- C48 H120 Mo20 N16 O108 P8 -","4","0.5","","Upreti, Shailesh; Ramanan, A.","Role of Hydrogen-Bonded Interactions in the Crystal Packing of Phenylenediammonium Phosphomolybdates","Crystal Growth & Design","2006","6","9","2066","","10.1021/cg0601610","","","0.71073","MoKα","","0.0401","0.0333","","","0.0689","0.0714","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508762","14.9375","0.0015","7.8764","0.0008","31.028","0.003","90","","100.423","0.002","90","","3590.3","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Mo5 N6 O26 P2 -","- C18 H36 Mo5 N6 O26 P2 -","- C72 H144 Mo20 N24 O104 P8 -","4","1","","Upreti, Shailesh; Ramanan, A.","Role of Hydrogen-Bonded Interactions in the Crystal Packing of Phenylenediammonium Phosphomolybdates","Crystal Growth & Design","2006","6","9","2066","","10.1021/cg0601610","","","0.71073","MoKα","","0.0361","0.0325","","","0.0759","0.0777","","","","","","1.086","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508763","12.6847","0.0009","12.6847","0.0009","5.1536","0.0007","90","","90","","120","","718.13","0.12","98","2","98","2","","","","","","","","4","P 63","P 6c","173","","","","- Al Na O6 Si -","- Al Na1.33333 O4.33333 Si -","- Al6 Na8 O26 Si6 -","6","1","","Vaughan, D. E. W.; Yennawar, H. P.; Perrotta, A. J.","Synthesis and Structure of Large Optically Clear Crystals of Gallogermanate Sodalite","Crystal Growth & Design","2006","6","9","2072","","10.1021/cg060164c","","","0.71073","MoKα","","0.0914","0.0913","","","0.2469","0.2469","","","","","","1.225","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508764","11.1187","0.0017","16.862","0.003","18.577","0.005","90","","90","","90","","3482.9","1.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H27 N3 O4 -","- C14 H27 N3 O4 -","- C112 H216 N24 O32 -","8","1","","Said, Farouq F.; Ong, Tiow-Gan; Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Linking Hydrogen Dicarboxylate Synthons with Substituted Guanidinium Cations: Transforming Rings and Chains into Two- and Three-Dimensional Structures","Crystal Growth & Design","2006","6","8","1848","","10.1021/cg060167p","","","0.71073","MoKα","","0.0694","0.0443","","","0.0951","0.1068","","","","","","1.022","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508765","9.83","0.0018","9.83","0.0018","37.502","0.008","90","","90","","90","","3623.8","1.2","233","2","233","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H29 N3 O4.5 -","- C14 H29 N3 O4.5 -","- C112 H232 N24 O36 -","8","1","","Said, Farouq F.; Ong, Tiow-Gan; Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Linking Hydrogen Dicarboxylate Synthons with Substituted Guanidinium Cations: Transforming Rings and Chains into Two- and Three-Dimensional Structures","Crystal Growth & Design","2006","6","8","1848","","10.1021/cg060167p","","","0.71073","MoKα","","0.0837","0.0768","","","0.2237","0.2326","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508766","5.8674","0.0017","15.725","0.004","12.174","0.003","90","","102.399","0.004","90","","1097","0.5","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H26 F5 N3 O5 -","- C19 H26 F5 N3 O5 -","- C38 H52 F10 N6 O10 -","2","1","","Said, Farouq F.; Ong, Tiow-Gan; Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Linking Hydrogen Dicarboxylate Synthons with Substituted Guanidinium Cations: Transforming Rings and Chains into Two- and Three-Dimensional Structures","Crystal Growth & Design","2006","6","8","1848","","10.1021/cg060167p","","","0.71073","MoKα","","0.0823","0.0545","","","0.115","0.1287","","","","","","1.062","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508767","9.8833","0.0013","11.4815","0.0016","15.678","0.002","90","","90","","90","","1779.1","0.4","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H29 N3 O4 -","- C14 H29 N3 O4 -","- C56 H116 N12 O16 -","4","1","","Said, Farouq F.; Ong, Tiow-Gan; Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Linking Hydrogen Dicarboxylate Synthons with Substituted Guanidinium Cations: Transforming Rings and Chains into Two- and Three-Dimensional Structures","Crystal Growth & Design","2006","6","8","1848","","10.1021/cg060167p","","","0.71073","MoKα","","0.0806","0.0718","","","0.2032","0.2148","","","","","","1.076","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508768","17.47","0.003","6.9365","0.0006","18.096","0.002","90","","114.308","0.004","90","","1998.5","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Gd5 K3 O24 P6 -","- Gd5 K3 O24 P6 -","- Gd20 K12 O96 P24 -","4","0.5","","Zhu, Jing; Cheng, Wen-Dan; Wu, Dong-Sheng; Zhang, Hao; Gong, Ya-Jing; Tong, Hua-Nan; Zhao, Dan","Potassium Gadolinium Phosphate with a Tunnel Structure: Synthesis, Structure, and Optical Properties of K3Gd5(PO4)6","Crystal Growth & Design","2006","6","7","1649","","10.1021/cg0601711","","","0.71073","MoKα","","0.0345","0.0284","","","0.0627","0.0657","","","","","","1.006","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508769","6.7176","0.0002","6.7638","0.0002","8.6217","0.0003","95.355","0.001","99.686","0.001","98.879","0.001","378.66","0.02","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C12 H24 O12 -","2","1","","Day, Graeme M.; van de Streek, Jacco; Bonnet, Arnaud; Burley, Jonathan C.; Jones, William; Motherwell, W. D. Sam","Polymorphism of Scyllo-Inositol: Joining Crystal Structure Prediction with Experiment to Elucidate the Structures of Two Polymorphs","Crystal Growth & Design","2006","6","10","2301","","10.1021/cg060179a","","","0.71073","MoKα","","0.039","0.0335","","","0.0873","0.0909","","","","","","1.073","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508770","11.7434","0.0007","9.4784","0.0005","27.8123","0.0016","90","","97.003","0.001","90","","3072.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cd N3 O8 -","- C37 H28 Cd N3 O8 -","- C148 H112 Cd4 N12 O32 -","4","1","","Zhang, Ling-Yun; Zhang, Jie-Peng; Lin, Yan-Yong; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescence of Three Coordination Polymers of Cadmium Dicarboxylates","Crystal Growth & Design","2006","6","7","1684","","10.1021/cg060194f","","","0.71073","MoKα","","0.0566","0.0416","","","0.0874","0.0928","","","","","","1.005","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508771","31.0998","0.0015","24.0457","0.0012","23.0064","0.0011","90","","131.42","0.001","90","","12901.4","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H48.5 Cd3 N4 O17.25 -","- C68 H48.5 Cd3 N4 O17.25 -","- C544 H388 Cd24 N32 O138 -","8","1","","Zhang, Ling-Yun; Zhang, Jie-Peng; Lin, Yan-Yong; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescence of Three Coordination Polymers of Cadmium Dicarboxylates","Crystal Growth & Design","2006","6","7","1684","","10.1021/cg060194f","","","0.71073","MoKα","","0.0479","0.0371","","","0.1047","0.1097","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508772","12.8165","0.0008","14.9807","0.0009","14.9864","0.0009","118.8","0.001","101.904","0.001","95.427","0.001","2403.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H36 Cd3 N2 O13 -","- C56 H36 Cd3 N2 O13 -","- C112 H72 Cd6 N4 O26 -","2","1","","Zhang, Ling-Yun; Zhang, Jie-Peng; Lin, Yan-Yong; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescence of Three Coordination Polymers of Cadmium Dicarboxylates","Crystal Growth & Design","2006","6","7","1684","","10.1021/cg060194f","","","0.71073","MoKα","","0.0519","0.0366","","","0.0672","0.0706","","","","","","1.002","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508773","7.473","0.001","8.3233","0.0011","13.1239","0.0017","102.054","0.002","95.03","0.002","109.753","0.002","740.15","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","","Zeng, He-Ping; OuYang, Xin-Hua; Wang, Ting-Ting; Yuan, Guo-Zan; Zhang, Guang-Hui; Zhang, Xin-min","Synthesis, Crystal Structure, and Prediction of Hole Mobilities of 2,7‘-Ethylenebis(8-hydroxyquinoline)","Crystal Growth & Design","2006","6","7","1697","","10.1021/cg060197s","","","0.71073","MoKα","","0.0656","0.0427","","","0.1122","0.1308","","","","","","1.022","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508774","14.51","0.004","9.71","0.003","19.569","0.005","90","","90","","90","","2757.1","1.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C120 H120 N8 O16 S8 -","8","2","","Pauchet, Morgan; Morelli, Thomas; Coste, Servane; Malandain, Jean-Jacques; Coquerel, Gérard","Crystallization of (±)-Modafinil in Gel: Access to Form I, Form III, and Twins","Crystal Growth & Design","2006","6","8","1881","","10.1021/cg060203k","","","0.71073","MoKα","","0.0341","0.0302","","","0.0763","0.0775","","","","","","0.979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508775","12.795","0.002","13.646","0.002","13.81","0.002","93.251","0.003","115.208","0.002","108.242","0.002","2020.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Cu N8 O10 S -","- C40 H44 Cu N8 O10 S -","- C80 H88 Cu2 N16 O20 S2 -","2","1","","Springsteen, Caleb H.; Sweeder, Ryan D.; LaDuca, Robert L.","Ligand and Anion Effects on the Morphology of Aqueous Substructures Entrained within One-Dimensional [CuL4X] Coordination Polymer Matrices (L = 2,4‘-Bipyridine, 4-Phenylpyridine; X = SO42-, SiF62-)","Crystal Growth & Design","2006","6","10","2308","","10.1021/cg060229b","","","0.71073","MoKα","","0.0863","0.0442","","","0.1014","0.1234","","","","","","1.016","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508776","12.796","0.004","13.491","0.004","14.131","0.004","90.636","0.005","108.398","0.005","116.762","0.005","2032.7","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H46 Cu N4 O9 S -","- C44 H46 Cu N4 O9 S -","- C88 H92 Cu2 N8 O18 S2 -","2","1","","Springsteen, Caleb H.; Sweeder, Ryan D.; LaDuca, Robert L.","Ligand and Anion Effects on the Morphology of Aqueous Substructures Entrained within One-Dimensional [CuL4X] Coordination Polymer Matrices (L = 2,4‘-Bipyridine, 4-Phenylpyridine; X = SO42-, SiF62-)","Crystal Growth & Design","2006","6","10","2308","","10.1021/cg060229b","","","0.71073","MoKα","","0.16","0.0902","","","0.1843","0.2111","","","","","","1.072","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508777","13.087","0.003","13.149","0.003","14.107","0.003","90.716","0.004","113.349","0.003","112.25","0.003","2024.7","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Cu F6 N8 O4.5 Si -","- C40 H32 Cu F6 N8 O4.5 Si -","- C80 H64 Cu2 F12 N16 O9 Si2 -","2","1","","Springsteen, Caleb H.; Sweeder, Ryan D.; LaDuca, Robert L.","Ligand and Anion Effects on the Morphology of Aqueous Substructures Entrained within One-Dimensional [CuL4X] Coordination Polymer Matrices (L = 2,4‘-Bipyridine, 4-Phenylpyridine; X = SO42-, SiF62-)","Crystal Growth & Design","2006","6","10","2308","","10.1021/cg060229b","","","0.71073","MoKα","","0.1293","0.0652","","","0.1592","0.194","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508778","13.005","0.003","13.452","0.003","14.081","0.003","92.909","0.003","111.721","0.003","112.678","0.003","2057.1","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H43 Cu F6 N4 O4.5 Si -","- C44 H43 Cu F6 N4 O4.5 Si -","- C88 H86 Cu2 F12 N8 O9 Si2 -","2","1","","Springsteen, Caleb H.; Sweeder, Ryan D.; LaDuca, Robert L.","Ligand and Anion Effects on the Morphology of Aqueous Substructures Entrained within One-Dimensional [CuL4X] Coordination Polymer Matrices (L = 2,4‘-Bipyridine, 4-Phenylpyridine; X = SO42-, SiF62-)","Crystal Growth & Design","2006","6","10","2308","","10.1021/cg060229b","","","0.71073","MoKα","","0.107","0.061","","","0.1155","0.1312","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508779","7.3223","0.0014","7.5889","0.0015","8.714","0.0017","83.383","0.003","77.723","0.004","89.083","0.003","469.98","0.16","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H4 F10 N4 O2 -","- C22 H4 F10 N4 O2 -","- C22 H4 F10 N4 O2 -","1","0.5","","Tang, Hongding; Gao, Jian Ping; Xiong, Ying; Wang, Zhi Yuan","Self-Assembled, Discrete Organic Tubular Crystals with Controllable Sizes by Simple Sublimation","Crystal Growth & Design","2006","6","7","1559","","10.1021/cg0602313","","","0.71073","MoKα","","0.0639","0.0444","","","0.0979","0.1064","","","","","","1.056","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508780","9.1869","0.0013","19.186","0.003","13.992","0.002","90","","94.673","0.002","90","","2458","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 Br N O2 -","- C33 H22 Br N O2 -","- C132 H88 Br4 N4 O8 -","4","1","","Masu, Hyuma; Mizutani, Ikuko; Ono, Yohei; Kishikawa, Keiki; Azumaya, Isao; Yamaguchi, Kentaro; Kohmoto, Shigeo","Phase-Dependent Emission of Naphthalene−Anthracene-Based Concave-Shaped Molecules","Crystal Growth & Design","2006","6","9","2086","","10.1021/cg060232v","","","0.71073","MoKα","","0.0705","0.041","","","0.0909","0.1012","","","","","","1.047","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508781","8.9659","0.0011","10.9066","0.0013","14.3668","0.0017","110.798","0.002","91.855","0.002","108.038","0.002","1232.7","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Br N O2 -","- C33 H22 Br N O2 -","- C66 H44 Br2 N2 O4 -","2","1","","Masu, Hyuma; Mizutani, Ikuko; Ono, Yohei; Kishikawa, Keiki; Azumaya, Isao; Yamaguchi, Kentaro; Kohmoto, Shigeo","Phase-Dependent Emission of Naphthalene−Anthracene-Based Concave-Shaped Molecules","Crystal Growth & Design","2006","6","9","2086","","10.1021/cg060232v","","","0.71073","MoKα","","0.0548","0.0417","","","0.1062","0.1123","","","","","","1.146","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508782","9.7327","0.0011","11.0332","0.0013","14.5441","0.0013","111.525","0.008","90.548","0.01","113.993","0.009","1304","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H25 N O2 -","- C37 H25 N O2 -","- C74 H50 N2 O4 -","2","1","","Masu, Hyuma; Mizutani, Ikuko; Ono, Yohei; Kishikawa, Keiki; Azumaya, Isao; Yamaguchi, Kentaro; Kohmoto, Shigeo","Phase-Dependent Emission of Naphthalene−Anthracene-Based Concave-Shaped Molecules","Crystal Growth & Design","2006","6","9","2086","","10.1021/cg060232v","","","1.54178","CuKα","","0.0986","0.0663","","","0.1738","0.1984","","","","","","1.026","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508783","10.2222","0.0015","11.1071","0.0016","13.4859","0.0019","90","","92.113","0.002","90","","1530.1","0.4","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H29 N O2 -","- C42 H29 N O2 -","- C84 H58 N2 O4 -","2","1","","Masu, Hyuma; Mizutani, Ikuko; Ono, Yohei; Kishikawa, Keiki; Azumaya, Isao; Yamaguchi, Kentaro; Kohmoto, Shigeo","Phase-Dependent Emission of Naphthalene−Anthracene-Based Concave-Shaped Molecules","Crystal Growth & Design","2006","6","9","2086","","10.1021/cg060232v","","","0.71073","MoKα","","0.0625","0.0435","","","0.107","0.1269","","","","","","1.019","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508784","17.418","0.005","10.74","0.003","16.615","0.005","90","","111.952","0.005","90","","2882.8","1.4","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C23 H22 Ag Cl2 F6 N6 O4 Sb -","- C23 H22 Ag Cl2 F6 N6 O4 Sb -","- C92 H88 Ag4 Cl8 F24 N24 O16 Sb4 -","4","1","","Lü, Xing-Qiang; Qiao, Yu-Qin; He, Jian-Rong; Pan, Mei; Kang, Bei-Sheng; Su, Cheng-Yong","Triple-Stranded Helical and Plywood-Like Arrays: Two Uncommon Framework Isomers Based on the Common One-Dimensional Chain Structures","Crystal Growth & Design","2006","6","8","1910","","10.1021/cg060240b","","","0.71073","MoKα","","0.058","0.0409","","","0.1032","0.1139","","","","","","1.022","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508785","16.256","0.007","11.091","0.005","15.798","0.007","90","","113.061","0.007","90","","2621","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Ag N7 O8 -","- C23 H24 Ag N7 O8 -","- C92 H96 Ag4 N28 O32 -","4","1","","Lü, Xing-Qiang; Qiao, Yu-Qin; He, Jian-Rong; Pan, Mei; Kang, Bei-Sheng; Su, Cheng-Yong","Triple-Stranded Helical and Plywood-Like Arrays: Two Uncommon Framework Isomers Based on the Common One-Dimensional Chain Structures","Crystal Growth & Design","2006","6","8","1910","","10.1021/cg060240b","","","0.71073","MoKα","","0.1358","0.0593","","","0.1587","0.1991","","","","","","1.023","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508786","9.0085","0.0015","9.0085","0.0015","15.799","0.004","90","","90","","90","","1282.1","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H13 Er N O10 P -","- C5 H7 Er N O10 P -","- C20 H28 Er4 N4 O40 P4 -","4","1","","Tang, Si-Fu; Song, Jun-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","Luminescent Lanthanide(III) Carboxylate−Phosphonates with Helical Tunnels","Crystal Growth & Design","2006","6","10","2322","","10.1021/cg060248l","","","0.71073","MoKα","","0.0242","0.0231","","","0.0542","0.0547","","","","","","1.122","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508787","8.9466","0.0001","8.9062","0.0002","15.5353","0.0003","90","","90","","90","","1237.86","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H13 Lu N O10 P -","- C5 H7 Lu N O10 P -","- C20 H28 Lu4 N4 O40 P4 -","4","1","","Tang, Si-Fu; Song, Jun-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","Luminescent Lanthanide(III) Carboxylate−Phosphonates with Helical Tunnels","Crystal Growth & Design","2006","6","10","2322","","10.1021/cg060248l","","","0.71073","MoKα","","0.0223","0.0214","","","0.0494","0.0499","","","","","","1.133","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508788","9.4045","0.0015","9.9465","0.0016","15.15","0.002","80.939","0.003","72.968","0.003","75.745","0.002","1307.7","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22 Co N2 O8 Zn -","- C29 H22 Co N2 O8 Zn -","- C58 H44 Co2 N4 O16 Zn2 -","2","1","","Chen, Pang-Kuan; Che, Yun-Xia; Xue, Lin; Zheng, Ji-Min","Two 2-Fold Interpenetrated Frameworks Showing Different Topologies Based on the Isomerous Benzenedicarboxylate Mixed with a FlexibleN,N‘-Type Ligand","Crystal Growth & Design","2006","6","11","2517","","10.1021/cg0602717","","","0.71073","MoKα","","0.0581","0.0375","","","0.0826","0.0921","","","","","","1.027","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508789","11.722","0.002","16.609","0.003","19.65","0.004","90","","90","","90","","3825.7","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 Co N2 O4 -","- C21 H18 Co N2 O4 -","- C168 H144 Co8 N16 O32 -","8","1","","Chen, Pang-Kuan; Che, Yun-Xia; Xue, Lin; Zheng, Ji-Min","Two 2-Fold Interpenetrated Frameworks Showing Different Topologies Based on the Isomerous Benzenedicarboxylate Mixed with a FlexibleN,N‘-Type Ligand","Crystal Growth & Design","2006","6","11","2517","","10.1021/cg0602717","","","0.71073","MoKα","","0.0516","0.041","","","0.1112","0.1165","","","","","","1.063","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508790","9.4197","0.0019","13.256","0.003","15.673","0.003","101.18","0.03","105.51","0.03","90.17","0.03","1846.9","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1'-binaphthyl-2,2'-dicarboxylic acid 1,4-dioxane clathrate","","- C46 H32 O9 -","- C46 H32 O9 -","- C92 H64 O18 -","2","1","","Izotova, Lidiya; Ibragimov, Bakhtiyar; Ashurov, Jamshid; Talipov, Samat; Weber, Edwin","Growth of Six Different Crystals of the Versatile Host Compound 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid from Solutions in 1,4-Dioxane","Crystal Growth & Design","2006","6","11","2523","","10.1021/cg060274j","","","0.71073","MoKα","","0.1129","0.0669","","","0.1331","0.1614","","","","","","1.148","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508791","9.593","0.007","10.515","0.007","12.504","0.009","109.84","0.05","93.13","0.06","106.52","0.05","1121.4","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1'-binaphthyl-2,2'-dicarboxylic acid 1,4-dioxane clathrate","","- C26 H22 O6 -","- C26 H22 O6 -","- C52 H44 O12 -","2","1","","Izotova, Lidiya; Ibragimov, Bakhtiyar; Ashurov, Jamshid; Talipov, Samat; Weber, Edwin","Growth of Six Different Crystals of the Versatile Host Compound 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid from Solutions in 1,4-Dioxane","Crystal Growth & Design","2006","6","11","2523","","10.1021/cg060274j","","","0.71073","MoKα","","0.1652","0.0817","","","0.1039","0.133","","","","","","1.172","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508792","10.994","0.005","13.215","0.007","16.591","0.016","99.8","0.06","107.79","0.06","95.44","0.04","2234","3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1'-binaphthyl-2,2'-dicarboxylic acid 1,4-dioxane clathrate","","- C26 H22 O6 -","- C26 H22 O6 -","- C104 H88 O24 -","4","2","","Izotova, Lidiya; Ibragimov, Bakhtiyar; Ashurov, Jamshid; Talipov, Samat; Weber, Edwin","Growth of Six Different Crystals of the Versatile Host Compound 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid from Solutions in 1,4-Dioxane","Crystal Growth & Design","2006","6","11","2523","","10.1021/cg060274j","","","0.71073","MoKα","","0.1145","0.0736","","","0.1692","0.2023","","","","","","1.095","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508793","10.574","0.016","10.873","0.018","11.819","0.019","101.89","0.12","94","0.2","98.25","0.13","1309","4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1'-binaphthyl-2,2'-dicarboxylic acid 1,4-dioxane clathrate","","- C30 H30 O8 -","- C30 H30 O8 -","- C60 H60 O16 -","2","1","","Izotova, Lidiya; Ibragimov, Bakhtiyar; Ashurov, Jamshid; Talipov, Samat; Weber, Edwin","Growth of Six Different Crystals of the Versatile Host Compound 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid from Solutions in 1,4-Dioxane","Crystal Growth & Design","2006","6","11","2523","","10.1021/cg060274j","","","0.71073","MoKα","","0.1379","0.0815","","","0.1734","0.2141","","","","","","1.113","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508794","10.684","0.002","11.685","0.002","13.972","0.003","71.22","0.03","79.32","0.03","89.48","0.03","1620.4","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1'-binaphthyl-2,2'-dicarboxylic acid 1,4-dioxane hydroxonium clathrate","","- C34 H40 O11 -","- C34 H40 O11 -","- C68 H80 O22 -","2","1","","Izotova, Lidiya; Ibragimov, Bakhtiyar; Ashurov, Jamshid; Talipov, Samat; Weber, Edwin","Growth of Six Different Crystals of the Versatile Host Compound 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid from Solutions in 1,4-Dioxane","Crystal Growth & Design","2006","6","11","2523","","10.1021/cg060274j","","","0.71073","MoKα","","0.1427","0.0811","","","0.1705","0.2111","","","","","","1.125","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508795","10.941","0.002","21.255","0.004","13.487","0.003","90","","100.21","0.03","90","","3086.7","1.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H32 Cu4 Mo12 N8 O40 P -","- C40 H32 Cu4 Mo12 N8 O40 P -","- C80 H64 Cu8 Mo24 N16 O80 P2 -","2","1","","Jin, Hua; Qi, Yanfei; Wang, Enbo; Li, Yangguang; Wang, Xinlong; Qin, Chao; Chang, Song","Molecular and Multidimensional Organic−Inorganic Hybrids Based on Polyoxometalates and Copper Coordination Polymer with Mixed 4,4‘-Bipyridine and 2,2‘-Bipyridine Ligands","Crystal Growth & Design","2006","6","12","2693","","10.1021/cg060303q","","","0.71073","MoKα","","0.0299","0.0283","","","0.0845","0.0856","","","","","","0.735","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508796","10.929","0.002","13.615","0.003","13.843","0.003","109.9","0.03","102.97","0.03","98.53","0.03","1829.8","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Cu4 N10 O44 Si W12 -","- C50 H42 Cu4 N10 O44 Si W12 -","- C50 H42 Cu4 N10 O44 Si W12 -","1","0.5","","Jin, Hua; Qi, Yanfei; Wang, Enbo; Li, Yangguang; Wang, Xinlong; Qin, Chao; Chang, Song","Molecular and Multidimensional Organic−Inorganic Hybrids Based on Polyoxometalates and Copper Coordination Polymer with Mixed 4,4‘-Bipyridine and 2,2‘-Bipyridine Ligands","Crystal Growth & Design","2006","6","12","2693","","10.1021/cg060303q","","","0.71073","MoKα","","0.0767","0.0641","","","0.1776","0.1888","","","","","","1.227","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508797","10.072","0.002","13.42","0.003","13.568","0.003","87.78","0.03","70.07","0.03","69","0.03","1602.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Cu3 K Mo8 N10 O26 -","- C50 H32 Cu3 K Mo8 N10 O26 -","- C50 H32 Cu3 K Mo8 N10 O26 -","1","0.5","","Jin, Hua; Qi, Yanfei; Wang, Enbo; Li, Yangguang; Wang, Xinlong; Qin, Chao; Chang, Song","Molecular and Multidimensional Organic−Inorganic Hybrids Based on Polyoxometalates and Copper Coordination Polymer with Mixed 4,4‘-Bipyridine and 2,2‘-Bipyridine Ligands","Crystal Growth & Design","2006","6","12","2693","","10.1021/cg060303q","","","0.71073","MoKα","","0.0746","0.0596","","","0.1511","0.1601","","","","","","1.053","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508798","8.421","0.005","11.493","0.006","13.234","0.007","78.107","0.014","72.502","0.019","78.524","0.018","1182.4","1.1","200","","200","","","","","","","","","7","P -1","-P 1","2","","[Cu(bib)2](Cl3CCOO)2-2MeOH-4(H2O)","","- C34 H42 Br2 Cl6 Cu N8 O10 -","- C34 H32 Br2 Cl6 Cu N8 O10 -","- C34 H32 Br2 Cl6 Cu N8 O10 -","1","0.5","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.71075","MoKα","","0.1379","0.0523","","","0.0507","0.0535","","","","","","1","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508799","8.952","0.013","9.096","0.01","10.114","0.012","81.39","0.03","86.47","0.04","88.22","0.04","812.5","1.8","200","","200","","","","","","","","","7","P -1","-P 1","2","","[Cu(bib)2]Cl2-H2O","","- C28 H28 Br2 Cl2 Cu N8 O -","- C28 H26 Br2 Cl2 Cu N8 O -","- C28 H26 Br2 Cl2 Cu N8 O -","1","0.5","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.71075","MoKα","","0.276","0.0615","","","0.063","0.0713","","","","","","0.769","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508800","8.535","0.005","9.28","0.004","21.923","0.009","90","","94.81","0.017","90","","1730.3","1.4","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Cu(bib)2(H2O)(SO4)]-4(H2O)","","- C28 H36 Br2 Cu N8 O9 S -","- C28 H26 Br2 Cu N8 O9 S -","- C56 H52 Br4 Cu2 N16 O18 S2 -","2","0.5","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.71075","MoKα","","0.1165","0.0644","","","0.109","0.1253","","","","","","1.02","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508801","7.141","0.003","10.934","0.004","11.979","0.005","102.289","0.007","97.31","0.004","93.6","0.005","902.6","0.6","173.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H17 Br Cu N4 O6 S -","- C14 H15 Br Cu N4 O6 S -","- C28 H30 Br2 Cu2 N8 O12 S2 -","2","1","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.7107","MoKα","","","0.031","","","","0.091","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508802","9.2445","0.0007","11.1244","","12.206","0.0013","72.91","0.02","88.68","0.02","74.172","0.013","1152.1","0.2","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H23 Br Cu N8 O3 -","- C19 H23 Br Cu N8 O3 -","- C38 H46 Br2 Cu2 N16 O6 -","2","1","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.7107","MoKα","","","0.039","","","","0.104","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508803","9.785","0.004","8.912","0.003","23.822","0.009","90","","91.54","0.006","90","","2076.6","1.4","173.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Br Cu N4 O8 -","- C17 H16 Br Cu N4 O7 -","- C68 H64 Br4 Cu4 N16 O28 -","4","1","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.7107","MoKα","","","0.048","","","","0.152","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508804","9.24","0.005","9.061","0.005","11.6","0.006","90","","91.023","0.006","90","","971","0.9","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H19 Br Cu N4 O5 -","- C18 H15 Br Cu N4 O5 -","- C36 H30 Br2 Cu2 N8 O10 -","2","1","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.7107","MoKα","","","0.044","","","","0.142","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508805","9.3604","0.0011","10.8601","0.0009","11.3165","0.0011","63.858","0.008","74.334","0.009","82.932","0.009","994.33","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H29 Cu N Na O14 -","- C11 H29 Cu N Na O14 -","- C22 H58 Cu2 N2 Na2 O28 -","2","1","","Karabach, Yauhen Yu.; Kirillov, Alexander M.; da Silva, M. Fátima C. Guedes; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.","An Aqua-Soluble Copper(II)−Sodium Two-Dimensional Coordination Polymer with Intercalated Infinite Chains of Decameric Water Clusters","Crystal Growth & Design","2006","6","10","2200","","10.1021/cg060310e","","","0.71069","MoKα","","0.0592","0.0375","","","0.0753","0.0802","","","","","","1.01","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508806","4.3901","0.0003","7.1531","0.0005","11.0189","0.0008","90","","92.88","0.003","90","","345.59","0.04","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-fluoro-2-oxindole","","","- C8 H6 F N O -","- C8 H6 F N O -","- C16 H12 F2 N2 O2 -","2","1","","Day, Graeme M.; Motherwell, W. D. Sam","An Experiment in Crystal Structure Prediction by Popular Vote","Crystal Growth & Design","2006","6","9","1985","","10.1021/cg060313r","","","0.71073","MoKα","","0.0353","0.0329","","","0.0822","0.0842","","","","","","1.085","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508807","6.4549","0.0003","10.4034","0.0004","10.1283","0.0005","90","","92.942","0.001","90","","679.25","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-quinuclidinol","3-quinuclidinol","","- C7 H13 N O -","- C7 H13 N O -","- C28 H52 N4 O4 -","4","1","","Day, Graeme M.; Motherwell, W. D. Sam","An Experiment in Crystal Structure Prediction by Popular Vote","Crystal Growth & Design","2006","6","9","1985","","10.1021/cg060313r","","","0.71073","MoKα","","0.0729","0.0597","","","0.1513","0.1608","","","","","","1.091","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508808","24.905","0.008","11.351","0.004","12.511","0.004","90","","90.066","0.012","90","","3537","2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C73 H88 N18 O7 -","- C73 H87 N18 O7 -","- C146 H174 N36 O14 -","2","0.5","","Todd, Adam M.; Anderson, Kirsty M.; Byrne, Peter; Goeta, Andrés E.; Steed, Jonathan W.","Helical or Polar Guest-DependentZ‘ = 1.5 orZ‘ = 2 Forms of a Sterically Hindered Bis(urea) Clathrate","Crystal Growth & Design","2006","6","8","1750","","10.1021/cg060318o","","","0.71073","MoKα","","0.0582","0.044","","","0.0923","0.0985","","","","","","1.055","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508809","11.6615","0.0007","12.1566","0.0007","18.5303","0.0011","90","","99.582","0.001","90","","2590.3","0.3","120","2","120","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C26 H34 N6 O3 -","- C26 H34 N6 O3 -","- C104 H136 N24 O12 -","4","2","","Todd, Adam M.; Anderson, Kirsty M.; Byrne, Peter; Goeta, Andrés E.; Steed, Jonathan W.","Helical or Polar Guest-DependentZ‘ = 1.5 orZ‘ = 2 Forms of a Sterically Hindered Bis(urea) Clathrate","Crystal Growth & Design","2006","6","8","1750","","10.1021/cg060318o","","","0.71073","MoKα","","0.091","0.0559","","","0.0963","0.1078","","","","","","0.99","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508810","25.306","0.003","11.1907","0.0011","12.347","0.0013","90","","90.41","0.002","90","","3496.5","0.7","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28.6 N6 O2.31 -","- C24 H28 N6 O2.30667 -","- C144 H168 N36 O13.84 -","6","1.5","","Todd, Adam M.; Anderson, Kirsty M.; Byrne, Peter; Goeta, Andrés E.; Steed, Jonathan W.","Helical or Polar Guest-DependentZ‘ = 1.5 orZ‘ = 2 Forms of a Sterically Hindered Bis(urea) Clathrate","Crystal Growth & Design","2006","6","8","1750","","10.1021/cg060318o","","","0.71073","MoKα","","0.0415","0.0337","","","0.0703","0.0732","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508811","20.11","0.008","6.863","0.003","13.555","0.003","90","","91.04","0.03","90","","1870.5","1.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Sodium N-(3-(aminosulfonyl)-4-chloro-2-hydroxyphenyl)-N'- (2,3-dichlorophenyl) urea trihydrate","","- C13 H15 Cl3 N3 Na O7 S -","- C13 H15 Cl3 N3 Na O7 S -","- C52 H60 Cl12 N12 Na4 O28 S4 -","4","1","","Vogt, Frederick G.; Brum, Jeffrey; Katrincic, Lee M.; Flach, Agnes; Socha, Jerome M.; Goodman, Richard M.; Haltiwanger, R. Curtis","Physical, Crystallographic, and Spectroscopic Characterization of a Crystalline Pharmaceutical Hydrate: Understanding the Role of Water","Crystal Growth & Design","2006","6","10","2333","","10.1021/cg060324k","","","0.71073","MoKα","","0.0729","0.0372","","","0.1029","0.1352","","","","","","0.871","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508812","8.8752","0.001","17.898","0.002","24.41","0.003","90","","90","","90","","3877.5","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Br N O2 -","- C21 H20 Br N O2 -","- C168 H160 Br8 N8 O16 -","8","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0452","0.038","","","0.0968","0.1018","","","","","","1.065","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508813","10.4652","0.0013","9.2705","0.0012","19.788","0.003","90","","97.522","0.002","90","","1903.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N O2 -","- C21 H20 Br N O2 -","- C84 H80 Br4 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0819","0.0683","","","0.1785","0.1925","","","","","","1.057","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508814","11.2369","0.0009","8.9082","0.0007","19.2612","0.0017","90","","106.624","0.001","90","","1847.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0318","0.029","","","0.0801","0.0827","","","","","","1.035","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4508815","10.5691","0.0013","9.3135","0.0011","18.974","0.002","90","","99.028","0.002","90","","1844.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0445","0.0353","","","0.0915","0.0977","","","","","","1.007","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508816","28.927","0.003","5.998","0.0006","21.499","0.002","90","","90","","90","","3730.2","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C42 H40 N4 O8 -","- C42 H40 N4 O8 -","- C168 H160 N16 O32 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.033","0.032","","","0.0797","0.081","","","","","","1.092","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508817","10.5943","0.0008","8.9347","0.0007","19.032","0.0015","90","","102.607","0.001","90","","1758.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0322","0.0297","","","0.079","0.0822","","","","","","1.046","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508818","22.4126","0.0017","16.699","0.0013","10.7237","0.0008","90","","90","","90","","4013.5","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H44 Br2 N2 O4 -","- C46 H44 Br2 N2 O4 -","- C184 H176 Br8 N8 O16 -","4","0.5","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0286","0.0264","","","0.0655","0.0672","","","","","","1.043","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508819","10.7493","0.001","22.797","0.002","16.6738","0.0016","90","","90","","90","","4085.9","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C192 H200 N8 O16 -","8","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0621","0.0483","","","0.1152","0.1219","","","","","","1.142","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508820","11.2663","0.0006","8.9435","0.0005","18.7571","0.001","90","","105.926","0.001","90","","1817.43","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl N O2 -","- C21 H20 Cl N O2 -","- C84 H80 Cl4 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0326","0.0315","","","0.0826","0.0841","","","","","","1.055","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508821","10.5042","0.0008","9.221","0.0007","19.4703","0.0015","90","","97.384","0.001","90","","1870.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N O2 -","- C21 H20 Cl N O2 -","- C84 H80 Cl4 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0569","0.0518","","","0.1475","0.1536","","","","","","1.049","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508822","8.5885","0.0005","20.7466","0.0012","21.5058","0.0013","90","","100.172","0.001","90","","3771.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl2 N2 O4 -","- C42 H40 Cl2 N2 O4 -","- C168 H160 Cl8 N8 O16 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0732","0.0566","","","0.1279","0.1364","","","","","","1.111","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508823","15.7677","0.0007","10.2895","0.0005","17.2299","0.0008","90","","101.886","0.002","90","","2735.5","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","HY 3/159","","","- C13 H18 N O3 P -","- C13 H18 N O3 P -","- C104 H144 N8 O24 P8 -","8","4","","Anderson, Kirsty M.; Afarinkia, Kamyar; Yu, Hiu-wan; Goeta, Andrés E.; Steed, Jonathan W.","WhenZ‘ = 2 Is Better thanZ‘ = 1Supramolecular Centrosymmetric Hydrogen-Bonded Dimers in Chiral Systems","Crystal Growth & Design","2006","6","9","2109","","10.1021/cg0603265","","","0.71073","MoKα","","0.0597","0.0479","","","0.1028","0.1082","","","","","","1.03","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508824","6.0547","0.0003","12.5714","0.0007","17.5919","0.001","90","","90","","90","","1339.03","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","hy31592","","","- C13 H18 N O3 P -","- C13 H18 N O3 P -","- C52 H72 N4 O12 P4 -","4","1","","Anderson, Kirsty M.; Afarinkia, Kamyar; Yu, Hiu-wan; Goeta, Andrés E.; Steed, Jonathan W.","WhenZ‘ = 2 Is Better thanZ‘ = 1Supramolecular Centrosymmetric Hydrogen-Bonded Dimers in Chiral Systems","Crystal Growth & Design","2006","6","9","2109","","10.1021/cg0603265","","","0.71073","MoKα","","0.0354","0.0317","","","0.0777","0.0797","","","","","","1.058","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508825","4.324","0.001","9.635","0.001","18.089","0.001","78.514","0.01","87.121","0.01","80.574","0.01","728.43","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","norfloxacin","norfloxacin","","- C16 H18 F N3 O3 -","- C16 H18 F N3 O3 -","- C32 H36 F2 N6 O6 -","2","1","","Basavoju, Srinivas; Boström, Dan; Velaga, Sitaram P.","Pharmaceutical Cocrystal and Salts of Norfloxacin","Crystal Growth & Design","2006","6","12","2699","","10.1021/cg060327x","","","0.71073","MoKα","","0.2793","0.105","","","0.1791","0.2458","","","","","","1.047","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508826","18.8749","0.0007","14.6353","0.0006","18.4094","0.0004","90","","98.432","0.002","90","","5030.4","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","norfloxacin.isonicotinamide.CHCL3","norfloxacin.isonicotinamide.CHCL3","","- C23 H25 Cl3 F N5 O4 -","- C23 H25 Cl3 F N5 O4 -","- C184 H200 Cl24 F8 N40 O32 -","8","1","","Basavoju, Srinivas; Boström, Dan; Velaga, Sitaram P.","Pharmaceutical Cocrystal and Salts of Norfloxacin","Crystal Growth & Design","2006","6","12","2699","","10.1021/cg060327x","","","0.71073","MoKα","","0.1616","0.102","","","0.2582","0.3039","","","","","","1.032","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508827","6.8086","0.0002","9.3743","0.0003","15.5127","0.0004","93.69","0.002","93.262","0.002","110.885","0.002","919.75","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","norfloxacin (succinate)0.5 hydrate","norfloxacin (succinate)0.5 hydrate","","- C18 H23 F N3 O6 -","- C18 H23 F N3 O6 -","- C36 H46 F2 N6 O12 -","2","1","","Basavoju, Srinivas; Boström, Dan; Velaga, Sitaram P.","Pharmaceutical Cocrystal and Salts of Norfloxacin","Crystal Growth & Design","2006","6","12","2699","","10.1021/cg060327x","","","0.71073","MoKα","","0.0823","0.0596","","","0.1267","0.1391","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508828","8.217","0.0001","9.138","0.0002","13.883","0.0002","90.392","0.001","91.08","0.001","96.771","0.001","1034.93","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","norfloxacinmalonate dihydrate","norfloxacinmalonate dihydrate","","- C19 H26 F N3 O9 -","- C19 H26 F N3 O9 -","- C38 H52 F2 N6 O18 -","2","1","","Basavoju, Srinivas; Boström, Dan; Velaga, Sitaram P.","Pharmaceutical Cocrystal and Salts of Norfloxacin","Crystal Growth & Design","2006","6","12","2699","","10.1021/cg060327x","","","0.71073","MoKα","","0.0452","0.0405","","","0.1072","0.1118","","","","","","1.02","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508829","7.089","0.0002","9.8742","0.0003","14.5854","0.0003","96.457","0.002","92.3","0.002","102.937","0.002","986.47","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","norfloxacinmaleate hydrate","norfloxacinmaleate hydrate","","- C20 H24 F N3 O8 -","- C20 H24 F N3 O8 -","- C40 H48 F2 N6 O16 -","2","1","","Basavoju, Srinivas; Boström, Dan; Velaga, Sitaram P.","Pharmaceutical Cocrystal and Salts of Norfloxacin","Crystal Growth & Design","2006","6","12","2699","","10.1021/cg060327x","","","0.71073","MoKα","","0.066","0.0492","","","0.1217","0.1333","","","","","","1.077","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508830","13.222","0.003","9.4395","0.0019","16.383","0.003","90","","102.78","0.03","90","","1994.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O12 U2 -","- C14 H20 O12 U2 -","- C56 H80 O48 U8 -","4","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation I. Aliphatic Carboxylate Coordination Polymers: Synthesis, Crystal Structures, and Fluorescent Properties","Crystal Growth & Design","2006","6","10","2241","","10.1021/cg060329h","","","0.71073","MoKα","","0.1103","0.0786","","","0.1962","0.2156","","","","","","0.989","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508831","4.4142","0.0004","5.548","0.0006","10.718","0.0012","77.47","0.002","81.865","0.002","85.993","0.002","253.45","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 O6 U -","- C8 H12 O6 U -","- C8 H12 O6 U -","1","0.5","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation I. Aliphatic Carboxylate Coordination Polymers: Synthesis, Crystal Structures, and Fluorescent Properties","Crystal Growth & Design","2006","6","10","2241","","10.1021/cg060329h","","","0.71073","MoKα","","0.0236","0.0236","","","0.0573","0.0573","","","","","","1.081","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508832","11.3233","0.0003","4.4018","0.0001","10.8499","0.0004","90","","95.454","0.002","90","","538.34","0.03","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C9 H14 O6 U -","- C9 H14 O6 U -","- C18 H28 O12 U2 -","2","0.5","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation I. Aliphatic Carboxylate Coordination Polymers: Synthesis, Crystal Structures, and Fluorescent Properties","Crystal Growth & Design","2006","6","10","2241","","10.1021/cg060329h","","","0.71073","MoKα","","0.0438","0.0392","","","0.095","0.0968","","","","","","1.068","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508833","9.4982","0.0012","14.0112","0.0019","15.3757","0.0019","94.875","0.003","101.27","0.003","94.909","0.003","1988.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 O18 U3 -","- C30 H48 O18 U3 -","- C60 H96 O36 U6 -","2","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation I. Aliphatic Carboxylate Coordination Polymers: Synthesis, Crystal Structures, and Fluorescent Properties","Crystal Growth & Design","2006","6","10","2241","","10.1021/cg060329h","","","0.71073","MoKα","","0.1422","0.0957","","","0.2419","0.2524","","","","","","1.781","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508834","15.5406","0.0013","12.5765","0.0013","16.821","0.002","90","","101.024","0.004","90","","3226.9","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 N2 O18 U2 -","- C25 H28 N2 O18 U2 -","- C100 H112 N8 O72 U8 -","4","0.5","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.1","0.0439","","","0.0713","0.0858","","","","","","0.733","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508835","12.2138","0.0008","12.2138","0.0008","10.033","0.0006","90","","90","","120","","1296.17","0.14","298","2","298","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C16 H16 N2 O6 U -","- C16 H16 N2 O6 U -","- C48 H48 N6 O18 U3 -","3","0.5","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0278","0.0254","","","0.046","0.0466","","","","","","0.884","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508836","9.2194","0.0005","12.1003","0.0008","12.6351","0.0008","85.612","0.001","75.136","0.002","78.964","0.002","1336.62","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N2 O11 U -","- C24 H32 N2 O11 U -","- C48 H64 N4 O22 U2 -","2","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0462","0.0354","","","0.0602","0.063","","","","","","0.872","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508837","21.3325","0.0015","10.7195","0.0007","33.626","0.002","90","","105.425","0.001","90","","7412.4","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 N2 O21 U4 -","- C24 H34 N2 O21 U4 -","- C192 H272 N16 O168 U32 -","8","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0789","0.0426","","","0.0756","0.0906","","","","","","0.962","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508838","15.4208","0.0003","27.9321","0.0006","11.0768","0.0003","90","","112.305","0.001","90","","4414.17","0.18","100","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 O10 U2 -","- C18 H22 N2 O10 U2 -","- C144 H176 N16 O80 U16 -","8","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0376","0.0264","","","0.0573","0.0614","","","","","","1.067","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508839","7.2624","0.0007","11.4342","0.0011","12.3394","0.0012","76.767","0.002","74.841","0.002","84.239","0.002","961.85","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N O10 U2 -","- C14 H20 N O10 U2 -","- C28 H40 N2 O20 U4 -","2","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0357","0.0278","","","0.0608","0.0637","","","","","","1.047","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508840","8.1332","0.0018","9.896","0.002","11.983","0.003","70.663","0.004","87.499","0.004","67.749","0.004","838.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N O6 U -","- C15 H20 N O6 U -","- C30 H40 N2 O12 U2 -","2","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.1636","0.0731","","","0.1485","0.1803","","","","","","1.045","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508841","8.135","0.003","9.793","0.004","11.236","0.004","89.67","0.006","73.76","0.006","89.722","0.006","859.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N O8 U -","- C15 H17 N O8 U -","- C30 H34 N2 O16 U2 -","2","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0617","0.0518","","","0.1149","0.1189","","","","","","0.984","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508842","10.6485","0.0008","11.6905","0.0009","17.1826","0.0013","72.419","0.001","75.264","0.001","81.642","0.001","1966.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H44 N2 O16 U2 -","- C33 H44 N2 O16 U2 -","- C66 H88 N4 O32 U4 -","2","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0502","0.0367","","","0.0922","0.0965","","","","","","0.964","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508843","8.4931","0.0003","26.2436","0.0011","10.7482","0.0005","90","","103.097","0.001","90","","2333.34","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O9 U2 -","- C20 H24 N2 O9 U2 -","- C80 H96 N8 O36 U8 -","4","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0378","0.0301","","","0.074","0.0782","","","","","","1.038","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508844","8.2635","0.0019","9.216","0.002","12.7756","0.0019","107.476","0.002","97.447","0.001","103.511","0.002","881.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N O6 U -","- C15 H20 N O6 U -","- C30 H40 N2 O12 U2 -","2","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.039","0.0304","","","0.0665","0.0693","","","","","","0.984","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508845","21.653","0.004","21.919","0.004","22.13","0.004","86.26","0.03","77.68","0.03","67.69","0.03","9492","4","153","1","153","1","","","","","","","","7","P -1","-P 1","2","","","","- C145 H135 Br12 Cl2 N13 O41 Yb6 -","- C145 H135 Br12 Cl2 N13 O41 Yb6 -","- C290 H270 Br24 Cl4 N26 O82 Yb12 -","2","1","","Yang, Xiao-Ping; Jones, Richard A.; Oye, Michael M.; Holmes, Archie L.; Wong, Wai-Kwok","Near Infrared Luminescence and Supramolecular Structure of a Helical Triple-Decker Yb(III) Schiff Base Cluster","Crystal Growth & Design","2006","6","9","2122","","10.1021/cg0603319","","","0.71073","MoKα","","0.1","0.0598","","","0.1481","0.1697","","","","","","1.083","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508846","13.3135","0.0019","7.5501","0.0011","17.487","0.003","90","","92.722","0.003","90","","1755.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Ni O12 S -","- C16 H16 Ni O12 S -","- C64 H64 Ni4 O48 S4 -","4","1","","Zang, Shuangquan; Su, Yang; Song, You; Li, Yizhi; Ni, Zhaoping; Zhu, Huizhen; Meng, Qingjin","Tuning the Framework Formation of Ni(II) Complexes by Controlling the Hydrolysis of 2,2‘,3,3‘-Thiodiphthalic Dianhydride: Syntheses, Crystal Structures, and Physical Properties","Crystal Growth & Design","2006","6","10","2369","","10.1021/cg060343u","","","0.71073","MoKα","","0.078","0.0529","","","0.108","0.1143","","","","","","1.015","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508847","25.122","0.007","8.253","0.002","11.259","0.003","90","","108.145","0.008","90","","2218.3","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H72 N8 Ni4 O30 S2 -","- C72 H72 N8 Ni4 O30 S2 -","- C72 H72 N8 Ni4 O30 S2 -","1","0.25","","Zang, Shuangquan; Su, Yang; Song, You; Li, Yizhi; Ni, Zhaoping; Zhu, Huizhen; Meng, Qingjin","Tuning the Framework Formation of Ni(II) Complexes by Controlling the Hydrolysis of 2,2‘,3,3‘-Thiodiphthalic Dianhydride: Syntheses, Crystal Structures, and Physical Properties","Crystal Growth & Design","2006","6","10","2369","","10.1021/cg060343u","","","0.71073","MoKα","","0.0689","0.0542","","","0.1163","0.1199","","","","","","1.027","","","","has coordinates","287938","2023-12-01","16:11:16",""
"4508848","5.7312","0.0011","16.985","0.003","11.722","0.002","90","","97.57","0.03","90","","1131.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-dichloridobis(diphenylsulfide)platinum","","- C12 H10 Cl Pd0.5 S -","- C12 H10 Cl Pd0.5 S -","- C48 H40 Cl4 Pd2 S4 -","4","1","","Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku","Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)","Crystal Growth & Design","2006","6","10","2376","","10.1021/cg060348r","","","0.71073","MoKα","","0.043","0.0351","","","0.0917","0.1109","","","","","","1.251","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508849","5.6464","0.0011","17.218","0.003","11.927","0.002","90","","96.89","0.03","90","","1151.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl Pd0.5 Se -","- C12 H10 Cl Pd0.5 Se -","- C48 H40 Cl4 Pd2 Se4 -","4","1","","Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku","Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)","Crystal Growth & Design","2006","6","10","2376","","10.1021/cg060348r","","","0.71073","MoKα","","0.042","0.0338","","","0.0863","0.0915","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508850","12.387","0.003","13.476","0.003","13.778","0.003","90","","91.64","0.03","90","","2299","0.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl2 Pt Se2 -","- C24 H20 Cl2 Pt Se2 -","- C96 H80 Cl8 Pt4 Se8 -","4","1","","Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku","Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)","Crystal Growth & Design","2006","6","10","2376","","10.1021/cg060348r","","","0.71073","MoKα","","0.0374","0.0302","","","0.0862","0.1097","","","","","","1.317","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508851","6.8454","0.0014","7.9258","0.0016","8.5633","0.0017","87.86","0.03","71.44","0.03","65.78","0.03","399.33","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl2 Pd S2 -","- C14 H16 Cl2 Pd S2 -","- C14 H16 Cl2 Pd S2 -","1","0.5","","Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku","Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)","Crystal Growth & Design","2006","6","10","2376","","10.1021/cg060348r","","","0.71073","MoKα","","0.0206","0.0192","","","0.0469","0.0477","","","","","","1.114","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508852","6.7442","0.0001","7.9469","0.0002","8.6745","0.0002","88.079","0.001","71.727","0.001","65.806","0.001","400.264","0.016","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl2 Pt S2 -","- C14 H16 Cl2 Pt S2 -","- C14 H16 Cl2 Pt S2 -","1","0.5","","Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku","Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)","Crystal Growth & Design","2006","6","10","2376","","10.1021/cg060348r","","","0.71073","MoKα","","0.0325","0.0325","","","0.083","0.083","","","","","","1.129","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508853","5.81831","0.00012","17.002","0.0003","11.7838","0.0002","90","","98.1776","0.0012","90","","1153.83","0.04","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 Pd S2 -","- C24 H20 Cl2 Pd S2 -","- C48 H40 Cl4 Pd2 S4 -","2","0.5","","Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku","Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)","Crystal Growth & Design","2006","6","10","2376","","10.1021/cg060348r","powder diffraction","","","X-ray","","","","","","","","","4.829","","","","","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508854","5.73667","0.00012","17.2469","0.0003","12.0289","0.0002","90","","97.5654","0.0012","90","","1179.78","0.04","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 Pd Se2 -","- C24 H20 Cl2 Pd Se2 -","- C48 H40 Cl4 Pd2 Se4 -","2","0.5","","Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku","Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)","Crystal Growth & Design","2006","6","10","2376","","10.1021/cg060348r","powder diffraction","","","X-ray","","","","","","","","","5.477","","","","","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508855","15.4523","0.0014","16.3494","0.0015","16.513","0.0014","119.409","0.002","90.449","0.002","117.481","0.001","3072.2","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","1:2 Acetic acid solvate of Trimesic acid","1:2 Acetic acid solvate of Trimesic acid","","- C20 H16 O14 -","- C20 H16 O14 -","- C120 H96 O84 -","6","3","","Vishweshwar, Peddy; Beauchamp, Derek A.; Zaworotko, Michael J.","An Acetic Acid Solvate of Trimesic Acid That Exhibits Triple Inclined Interpenetration and Mixed Supramolecular Homosynthons","Crystal Growth & Design","2006","6","11","2429","","10.1021/cg060349j","","","0.71073","MoKα","","0.1209","0.0761","","","0.1747","0.1932","","","","","","1.046","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508856","6.4126","0.0005","7.8307","0.0009","10.4658","0.001","90","","90","","90","","525.54","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H3 Cd Cl N4 -","- C2 H3 Cd Cl N4 -","- C8 H12 Cd4 Cl4 N16 -","4","1","","Li, Wei; Jia, Hong-Peng; Ju, Zhan-Feng; Zhang, Jie","A Novel Chiral Cd(II) Coordination Polymer Based on Achiral Unsymmetrical 3-Amino-1,2,4-triazole with an Unprecedented μ4-Bridging Mode","Crystal Growth & Design","2006","6","9","2136","","10.1021/cg060363w","","","0.71073","MoKα","","0.0294","0.0272","","","0.0565","0.0584","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508857","16.5475","0.0013","23.0453","0.0018","21.7704","0.0017","90","","96.904","0.001","90","","8241.8","1.1","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H90 Cl12 Mn3 N13 Nb6 O12 -","- C52 H89 Cl12 Mn3 N13 Nb6 O12 -","- C208 H356 Cl48 Mn12 N52 Nb24 O48 -","4","1","","Zhou, Huajun; Lachgar, Abdessadek","Supramolecular Assemblies Built of [Nb6Cl12(CN)6]4-Octahedral Metal Clusters and [Mn(acacen)]+Complexes","Crystal Growth & Design","2006","6","10","2384","","10.1021/cg0603669","","","0.71073","MoKα","","0.0862","0.0557","","","0.1137","0.1251","","","","","","1.056","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508858","13.6875","0.0009","13.2343","0.0009","19.8629","0.0014","90","","91.605","0.001","90","","3596.6","0.4","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H70 Cl12 Mn2 N14 Nb6 O6 -","- C42 H70 Cl12 Mn2 N14 Nb6 O6 -","- C84 H140 Cl24 Mn4 N28 Nb12 O12 -","2","0.5","","Zhou, Huajun; Lachgar, Abdessadek","Supramolecular Assemblies Built of [Nb6Cl12(CN)6]4-Octahedral Metal Clusters and [Mn(acacen)]+Complexes","Crystal Growth & Design","2006","6","10","2384","","10.1021/cg0603669","","","0.71073","MoKα","","0.0625","0.0396","","","0.0801","0.0886","","","","","","0.969","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508859","12.87","0.004","14.119","0.004","24.792","0.007","90","","91.402","0.005","90","","4504","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 Cl12 Mn4 N18 Nb6 O10 -","- C62 H76 Cl12 Mn4 N18 Nb6 O10 -","- C124 H152 Cl24 Mn8 N36 Nb12 O20 -","2","0.5","","Zhou, Huajun; Lachgar, Abdessadek","Supramolecular Assemblies Built of [Nb6Cl12(CN)6]4-Octahedral Metal Clusters and [Mn(acacen)]+Complexes","Crystal Growth & Design","2006","6","10","2384","","10.1021/cg0603669","","","0.71073","MoKα","","0.0568","0.0482","","","0.1171","0.1222","","","","","","1.071","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508860","14.741","0.005","16.175","0.005","18.969","0.006","80.858","0.005","75.619","0.005","74.272","0.005","4197","2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H80.8 Cl12 Mn4 N14 Nb6 O12.4 -","- C54 H76 Cl12 Mn4 N14 Nb6 O12.4 -","- C108 H152 Cl24 Mn8 N28 Nb12 O24.8 -","2","1","","Zhou, Huajun; Lachgar, Abdessadek","Supramolecular Assemblies Built of [Nb6Cl12(CN)6]4-Octahedral Metal Clusters and [Mn(acacen)]+Complexes","Crystal Growth & Design","2006","6","10","2384","","10.1021/cg0603669","","","0.71073","MoKα","","0.043","0.0341","","","0.0829","0.0881","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508861","6.5733","0.0009","6.5733","0.0009","16.731","0.003","90","","90","","120","","626.07","0.17","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ag2 Cl6 Re -","- Ag2 Cl6 Re -","- Ag6 Cl18 Re3 -","3","0.166667","","Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Faus, Juan","A Two-Dimensional ReIVAgICompound: X-ray Structure and Magnetic Properties","Crystal Growth & Design","2006","6","10","2204","","10.1021/cg060375h","","","0.71073","MoKα","","0.038","0.0379","","","0.1026","0.1026","","","","","","1.156","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508862","5.5311","0.0006","6.2566","0.0007","9.0041","0.001","70.187","0.002","76.251","0.002","72.714","0.002","276.64","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Pyridine-2,3,5,6-tetracarboxylic acid","","- C9 H9 N O10 -","- C9 H9 N O10 -","- C9 H9 N O10 -","1","0.5","","Babu, N. Jagadeesh; Nangia, Ashwini","Water-Mediated Multicenter Synthon and Aromatic C−H →N Isostructurality","Crystal Growth & Design","2006","6","8","1753","","10.1021/cg060378u","","","0.71073","MoKα","","0.0343","0.0336","","","0.084","0.0845","","","","","","1.117","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508863","5.5412","0.0011","6.3763","0.0013","9.071","0.0018","110.23","0.03","91.99","0.03","106.39","0.03","285.38","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Pyridine-2,3,5,6-tetracarboxylic acid","","- C9 H9 N O10 -","- C9 H9 N O10 -","- C9 H9 N O10 -","1","0.5","","Babu, N. Jagadeesh; Nangia, Ashwini","Water-Mediated Multicenter Synthon and Aromatic C−H →N Isostructurality","Crystal Growth & Design","2006","6","8","1753","","10.1021/cg060378u","","","0.71073","MoKα","","0.0427","0.0404","","","0.1048","0.1069","","","","","","1.098","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508864","5.9452","0.0012","9.4204","0.0019","18.37","0.004","90","","90","","90","","1028.8","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pyridine-2,4,6-tricarboxylic acid","","- C8 H9 N O8 -","- C8 H9 N O8 -","- C32 H36 N4 O32 -","4","1","","Babu, N. Jagadeesh; Nangia, Ashwini","Water-Mediated Multicenter Synthon and Aromatic C−H →N Isostructurality","Crystal Growth & Design","2006","6","8","1753","","10.1021/cg060378u","","","0.71073","MoKα","","0.0464","0.0407","","","0.0933","0.0962","","","","","","1.078","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508865","9.113","0.0018","11.681","0.002","17.354","0.004","86.93","0.03","80.89","0.03","84.54","0.03","1814.3","0.7","293","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H40 Cl3 Cu7 Gd2 N10 O32 -","- C60 H40 Cl3 Cu7 Gd2 N10 O32 -","- C60 H40 Cl3 Cu7 Gd2 N10 O32 -","1","0.5","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","The First Self-Penetrating Topology Based on an Unusual α-Po Net with Double Edges Constructed from a 12-Connected Gd2(μ2-Ocarboxylate)2(μ2-OH2)2(μ3-OH)2Cu2Core","Crystal Growth & Design","2006","6","11","2432","","10.1021/cg060379m","","","0.71073","MoKα","","0.1443","0.0749","","","0.1704","0.2061","","","","","","1","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508866","17.645","0.004","15.371","0.003","15.398","0.003","90","","90","","90","","4176.3","1.5","125","2","125","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C48 H56 O9 -","- C48 H56 O9 -","- C192 H224 O36 -","4","1","","Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.","Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes","Crystal Growth & Design","2006","6","9","2141","","10.1021/cg0603826","","","0.7107","MoKα","","0.0722","0.0517","","","0.1246","0.1397","","","","","","1.003","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508867","15.4735","0.0012","15.4735","0.0012","22.604","0.003","90","","90","","90","","5412.1","0.9","125","2","125","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- C58 H76 O9.5 -","- C58.08 H76.16 O9.52 -","- C232.32 H304.64 O38.08 -","4","0.25","","Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.","Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes","Crystal Growth & Design","2006","6","9","2141","","10.1021/cg0603826","","","0.7107","MoKα","","0.1429","0.0756","","","0.1958","0.2707","","","","","","1.106","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508868","15.739","0.003","21.908","0.004","15.847","0.003","90","","90.59","0.03","90","","5463.9","1.8","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H65 Br Cl F3 O8 -","- C54 H65 Br Cl F3 O8 -","- C216 H260 Br4 Cl4 F12 O32 -","4","1","","Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.","Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes","Crystal Growth & Design","2006","6","9","2141","","10.1021/cg0603826","","","0.7107","MoKα","","0.2197","0.1856","","","0.5015","0.5313","","","","","","2.491","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508869","15.4867","0.0013","15.4867","0.0013","22.675","0.003","90","","90","","90","","5438.3","1","125","2","125","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C56 H71 Br Cl F3 O9 -","- C56 H71 Br Cl F3 O9 -","- C224 H284 Br4 Cl4 F12 O36 -","4","0.25","","Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.","Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes","Crystal Growth & Design","2006","6","9","2141","","10.1021/cg0603826","","","0.7107","MoKα","","0.149","0.1049","","","0.3049","0.3499","","","","","","1.351","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508870","15.202","0.004","30.187","0.007","15.203","0.004","90","","90.045","0.003","90","","6977","3","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H54 O5.5 -","- C37 H54 O5.5 -","- C296 H432 O44 -","8","2","","Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.","Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes","Crystal Growth & Design","2006","6","9","2141","","10.1021/cg0603826","","","0.7107","MoKα","","0.2031","0.1268","","","0.2946","0.3465","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508871","8.3618","0.0002","9.0628","0.0002","12.8581","0.0004","95.611","0.001","93.604","0.001","109.75","0.001","907.9","0.04","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","9-(4-methoxyphenyl)-9H-xanthen-9-ol naphthalene clathrate","","- C25 H20 O3 -","- C25 H20 O3 -","- C50 H40 O6 -","2","1","","Curtis, Elizabeth; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Jana H.","Xanthenol Clathrates: Structures and Solid−Solid Reactions","Crystal Growth & Design","2006","6","12","2716","","10.1021/cg060384q","","","0.71073","MoKα","","0.0561","0.0395","","","0.0975","0.1062","","","","","","1.051","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508872","8.3447","0.0002","9.2247","0.0003","13.3533","0.0004","91.857","0.002","92.303","0.002","108.133","0.001","974.97","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","9-(4-methoxyphenyl)-9H-xanthen-9-ol anthracene clathrate","","- C27 H21 O3 -","- C27 H21 O3 -","- C54 H42 O6 -","2","1","","Curtis, Elizabeth; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Jana H.","Xanthenol Clathrates: Structures and Solid−Solid Reactions","Crystal Growth & Design","2006","6","12","2716","","10.1021/cg060384q","","","0.71073","MoKα","","0.0821","0.0451","","","0.1018","0.1154","","","","","","1.023","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508873","8.3536","0.0002","9.2164","0.0003","13.3415","0.0005","93.913","0.001","91.04","0.001","108.949","0.001","968.35","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","9-(4-methoxyphenyl)-9H-xanthen-9-ol phenanthrene clathrate","","- C27 H21 O3 -","- C27 H21 O3 -","- C54 H42 O6 -","2","1","","Curtis, Elizabeth; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Jana H.","Xanthenol Clathrates: Structures and Solid−Solid Reactions","Crystal Growth & Design","2006","6","12","2716","","10.1021/cg060384q","","","0.71073","MoKα","","0.1048","0.0712","","","0.1846","0.2104","","","","","","1.058","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508874","8.393","0.0005","9.7237","0.0006","12.9654","0.001","94.018","0.003","91.57","0.002","110.732","0.003","985.62","0.12","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","9-(4-methoxyphenyl)-9H-xanthen-9-ol pyrene clathrate","","- C28 H21 O3 -","- C28 H21 O3 -","- C56 H42 O6 -","2","1","","Curtis, Elizabeth; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Jana H.","Xanthenol Clathrates: Structures and Solid−Solid Reactions","Crystal Growth & Design","2006","6","12","2716","","10.1021/cg060384q","","","0.71073","MoKα","","0.1049","0.0635","","","0.1574","0.1782","","","","","","1.051","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508875","8.3914","0.0002","9.1177","0.0002","12.8162","0.0003","96.162","0.001","93.767","0.001","109.314","0.001","914.67","0.04","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","9-(4-methoxyphenyl)-9H-xanthen-9-ol beta-naphthol clathrate","","- C25 H20 O3.5 -","- C25 H19 O3.5 -","- C50 H38 O7 -","2","1","","Curtis, Elizabeth; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Jana H.","Xanthenol Clathrates: Structures and Solid−Solid Reactions","Crystal Growth & Design","2006","6","12","2716","","10.1021/cg060384q","","","0.71073","MoKα","","0.0796","0.057","","","0.1541","0.1692","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508876","17.6686","0.0001","17.6686","0.00001","32.0818","0.0006","90","","90","","120","","8673.49","0.17","170","2","170","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C396 H360 O108 -","18","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Rath, Nigam P.","Self-Assembly of Sticky TABs: Inclusion Complexes and Hydrates from 1,3,5-Tris(4-hydroxybenzoyl)benzene","Crystal Growth & Design","2006","6","12","2732","","10.1021/cg0604226","","","0.71073","MoKα","","0.1267","0.0787","","","0.1953","0.2375","","","","","","1.092","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508877","17.112","0.0003","17.112","0.0003","33.4225","0.0012","90","","90","","120","","8475.6","0.4","100","2","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C27 H19 O6.5 -","- C27 H18.99 O6.495 -","- C324 H227.88 O77.94 -","12","0.666667","","Pigge, F. Christopher; Dighe, Mayuri K.; Rath, Nigam P.","Self-Assembly of Sticky TABs: Inclusion Complexes and Hydrates from 1,3,5-Tris(4-hydroxybenzoyl)benzene","Crystal Growth & Design","2006","6","12","2732","","10.1021/cg0604226","","","0.71073","MoKα","","0.0555","0.0454","","","0.1272","0.1356","","","","","","1.061","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508878","13.1901","0.0003","13.5784","0.0003","14.0338","0.0004","90","","90.495","0.001","90","","2513.37","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28.5 H27 O9.5 -","- C28.5 H27 O9.5 -","- C114 H108 O38 -","4","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Rath, Nigam P.","Self-Assembly of Sticky TABs: Inclusion Complexes and Hydrates from 1,3,5-Tris(4-hydroxybenzoyl)benzene","Crystal Growth & Design","2006","6","12","2732","","10.1021/cg0604226","","","0.71073","MoKα","","0.0773","0.0593","","","0.1616","0.1781","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508879","13.052","0.0005","13.4706","0.0006","14.148","0.0006","90","","91.646","0.003","90","","2486.45","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 O9.5 -","- C28 H27 O9.5 -","- C112 H108 O38 -","4","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Rath, Nigam P.","Self-Assembly of Sticky TABs: Inclusion Complexes and Hydrates from 1,3,5-Tris(4-hydroxybenzoyl)benzene","Crystal Growth & Design","2006","6","12","2732","","10.1021/cg0604226","","","0.71073","MoKα","","0.1103","0.0725","","","0.2002","0.2238","","","","","","1.397","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508880","13.0899","0.0012","13.4348","0.0012","14.1899","0.0012","90","","91.572","0.002","90","","2494.5","0.4","167","2","167","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H26 O9.25 -","- C27.5 H24 O9.25 -","- C110 H96 O37 -","4","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Rath, Nigam P.","Self-Assembly of Sticky TABs: Inclusion Complexes and Hydrates from 1,3,5-Tris(4-hydroxybenzoyl)benzene","Crystal Growth & Design","2006","6","12","2732","","10.1021/cg0604226","","","0.71073","MoKα","","0.1905","0.1126","","","0.2162","0.2458","","","","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508881","13.1722","0.0004","13.5497","0.0003","13.9929","0.0004","90","","90.96","0.001","90","","2497.09","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 O9 -","- C27 H24 O9 -","- C108 H96 O36 -","4","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Rath, Nigam P.","Self-Assembly of Sticky TABs: Inclusion Complexes and Hydrates from 1,3,5-Tris(4-hydroxybenzoyl)benzene","Crystal Growth & Design","2006","6","12","2732","","10.1021/cg0604226","","","0.71073","MoKα","","0.0635","0.0522","","","0.1454","0.155","","","","","","1.026","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508882","31.29","0.006","19.372","0.004","17.489","0.003","90","","117.475","0.003","90","","9405","3","123","2","123","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C62 H60 Cl5 K4 N42 O42.5 -","- C62 H60 Cl5 K4 N42 O43.5 -","- C248 H240 Cl20 K16 N168 O174 -","4","0.5","","Liu, Jing-Xin; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Molecular Capsules Based on Cucurbit[5]uril Encapsulating “Naked” Anion Chlorine","Crystal Growth & Design","2006","6","11","2611","","10.1021/cg060424q","","","0.71073","MoKα","","0.0818","0.0744","","","0.1766","0.1822","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508883","12.129","0.002","15.477","0.003","24.098","0.004","90","","90","","90","","4523.7","1.4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C H Ba Cl N O -","- C3 H3 Ba0.2 Cl0.3 N2.1 O2 -","- C120 H120 Ba8 Cl12 N84 O80 -","40","10","","Liu, Jing-Xin; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Molecular Capsules Based on Cucurbit[5]uril Encapsulating “Naked” Anion Chlorine","Crystal Growth & Design","2006","6","11","2611","","10.1021/cg060424q","","","0.71073","MoKα","","0.045","0.0444","","","0.1266","0.1275","","","","","","0.661","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508884","13.346","0.003","14.749","0.003","23.876","0.005","90","","90","","90","","4699.8","1.7","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 Cd2 Cl6 N20 O18 -","- C32 H30 Cd2 Cl6 N20 O18 -","- C128 H120 Cd8 Cl24 N80 O72 -","4","1","","Liu, Jing-Xin; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Molecular Capsules Based on Cucurbit[5]uril Encapsulating “Naked” Anion Chlorine","Crystal Growth & Design","2006","6","11","2611","","10.1021/cg060424q","","","0.71073","MoKα","","0.0592","0.0582","","","0.1557","0.1565","","","","","","1.233","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508885","15.933","0.002","17.702","0.003","20.202","0.003","90","","90","","90","","5697.9","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H63 Cl7 La2 N20 O26 -","- C30 H59 Cl7 La2 N20 O26 -","- C120 H236 Cl28 La8 N80 O104 -","4","1","","Liu, Jing-Xin; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Molecular Capsules Based on Cucurbit[5]uril Encapsulating “Naked” Anion Chlorine","Crystal Growth & Design","2006","6","11","2611","","10.1021/cg060424q","","","0.71073","MoKα","","0.0327","0.0322","","","0.0844","0.0847","","","","","","1.064","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508886","19.0544","0.0011","19.0544","0.0011","31.639","0.004","90","","90","","90","","11487.2","1.7","100","2","100","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C40 H66 Cd4 N12 O25 -","- C40 H66 Cd4 N12 O25 -","- C320 H528 Cd32 N96 O200 -","8","0.5","","Cheng, Lin; Lin, Jian-Bin; Gong, Jun-Zhou; Sun, Ai-Ping; Ye, Bao-Hui; Chen, Xiao-Ming","Encapsulation of Water Cluster,meso-Helical Chain and Tapes in Metal−Organic Frameworks Based on Double-Stranded Cd(II) Helicates and Carboxylates","Crystal Growth & Design","2006","6","12","2739","","10.1021/cg060441f","","","0.71073","MoKα","","0.0767","0.057","","","0.1255","0.1361","","","","","","1.036","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508887","16.033","0.002","16.744","0.002","20.286","0.003","68.747","0.002","66.944","0.002","63.282","0.002","4359.2","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H106 Cd4 N24 O37 -","- C64 H106 Cd4 N24 O37 -","- C128 H212 Cd8 N48 O74 -","2","1","","Cheng, Lin; Lin, Jian-Bin; Gong, Jun-Zhou; Sun, Ai-Ping; Ye, Bao-Hui; Chen, Xiao-Ming","Encapsulation of Water Cluster,meso-Helical Chain and Tapes in Metal−Organic Frameworks Based on Double-Stranded Cd(II) Helicates and Carboxylates","Crystal Growth & Design","2006","6","12","2739","","10.1021/cg060441f","","","0.71073","MoKα","","0.1314","0.0928","","","0.2063","0.2257","","","","","","1.097","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508888","20.985","0.003","14.837","0.002","14.941","0.002","90","","92.09","0.003","90","","4648.9","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H54 Cd2 N12 O17 -","- C34 H54 Cd2 N12 O17 -","- C136 H216 Cd8 N48 O68 -","4","0.5","","Cheng, Lin; Lin, Jian-Bin; Gong, Jun-Zhou; Sun, Ai-Ping; Ye, Bao-Hui; Chen, Xiao-Ming","Encapsulation of Water Cluster,meso-Helical Chain and Tapes in Metal−Organic Frameworks Based on Double-Stranded Cd(II) Helicates and Carboxylates","Crystal Growth & Design","2006","6","12","2739","","10.1021/cg060441f","","","0.71073","MoKα","","0.0677","0.0534","","","0.1292","0.1396","","","","","","1.023","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508889","22.387","0.002","13.1645","0.0012","17.7277","0.0016","90","","103.104","0.002","90","","5088.5","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H62 Cd2 N12 O19 -","- C36 H62 Cd2 N12 O19 -","- C144 H248 Cd8 N48 O76 -","4","0.5","","Cheng, Lin; Lin, Jian-Bin; Gong, Jun-Zhou; Sun, Ai-Ping; Ye, Bao-Hui; Chen, Xiao-Ming","Encapsulation of Water Cluster,meso-Helical Chain and Tapes in Metal−Organic Frameworks Based on Double-Stranded Cd(II) Helicates and Carboxylates","Crystal Growth & Design","2006","6","12","2739","","10.1021/cg060441f","","","0.71073","MoKα","","0.0715","0.0482","","","0.0888","0.0963","","","","","","1.019","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508890","5.561","0.0001","8.6113","0.0002","21.9162","0.0005","90","","90","","90","","1049.51","0.04","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 F O2 S -","- C10 H13 F O2 S -","- C40 H52 F4 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.1005","0.0473","","","0.0796","0.0915","","","","","","1.003","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508891","5.6291","0.0007","8.8502","0.0011","21.79","0.003","90","","90","","90","","1085.5","0.2","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 F2 O2 S -","- C10 H12 F2 O2 S -","- C40 H48 F8 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.0419","0.0322","","","0.0762","0.0802","","","","","","1.008","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508892","5.0858","0.0005","9.5412","0.001","11.5677","0.0014","90","","93.875","0.004","90","","560.04","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F3 O2 S -","- C10 H11 F3 O2 S -","- C20 H22 F6 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.091","0.0533","","","0.1116","0.1243","","","","","","1.032","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508893","9.1588","0.0017","5.7511","0.0013","12.097","0.002","90","","103.858","0.015","90","","618.6","0.2","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H11 Cl F2 O2 S -","- C10 H11 Cl0.971 F1.942 O2 S -","- C20 H22 Cl1.942 F3.884 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.083","0.0623","","","0.1957","0.2112","","","","","","1.062","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508894","12.215","0.002","6.1978","0.0012","17.611","0.004","90","","106.52","0.03","90","","1278.2","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Cl3 O2 S -","- C10 H11 Cl3 O2 S -","- C40 H44 Cl12 O8 S4 -","4","2","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.0425","0.0319","","","0.0681","0.0713","","","","","","1.027","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508895","9.3954","0.0019","5.3324","0.0011","12.688","0.003","90","","105.36","0.03","90","","613","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C24 H36 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.1295","0.0597","","","0.1008","0.1177","","","","","","1.002","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508896","5.6382","0.0011","8.4542","0.0017","21.822","0.004","90","","90","","90","","1040.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 F O2 S -","- C10 H13 F O2 S -","- C40 H52 F4 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.1314","0.0463","","","0.0658","0.0743","","","","","","1.008","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508897","4.6869","0.0009","10.458","0.002","10.937","0.002","90","","96.07","0.03","90","","533.08","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 F2 O2 S -","- C10 H12 F2 O2 S -","- C20 H24 F4 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.0785","0.0409","","","0.0715","0.0779","","","","","","1.003","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508898","6.1239","0.0012","9.3422","0.0019","10.132","0.002","90","","102.41","0.03","90","","566.1","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F3 O2 S -","- C10 H11 F3 O2 S -","- C20 H22 F6 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.0626","0.0418","","","0.1022","0.1095","","","","","","1.033","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508899","17.2","0.003","5.9594","0.0012","13.889","0.003","90","","126.25","0.03","90","","1148.1","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H11 F3 O2 S -","- C10 H11 F3 O2 S -","- C40 H44 F12 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.1058","0.0445","","","0.0699","0.0806","","","","","","0.863","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508900","23.226","0.005","6.0154","0.0012","9.885","0.002","90","","114.92","0.03","90","","1252.5","0.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C48 H72 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.069","0.0527","","","0.135","0.1461","","","","","","1.055","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508901","9.3364","0.0005","14.8119","0.0007","33.6668","0.0008","90","","91.004","0.003","90","","4655.1","0.4","293","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N4 O24 P8 Zn6 -","- C26 H40 N4 O24 P8 Zn6 -","- C104 H160 N16 O96 P32 Zn24 -","4","1","","Lin, Zhi-En; Fan, Wei; Gao, Feifei; Chino, Naotaka; Yokoi, Toshiyuki; Okubo, Tatsuya","A New Organically Templated Zinc Phosphite Synthesized in Phosphorous Acid Flux and Its Hydrothermal Analogue","Crystal Growth & Design","2006","6","11","2435","","10.1021/cg060466e","","","0.71073","MoKα","","0.0627","0.0496","","","0.1272","0.1372","","","","","","1.064","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508902","11.392","0.004","5.199","0.002","15.863","0.006","90","","106.329","0.005","90","","901.6","0.6","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C6.5 H9 N O3.5 P Zn -","- C6.5 H8 N O3.5 P Zn -","- C26 H32 N4 O14 P4 Zn4 -","4","1","","Lin, Zhi-En; Fan, Wei; Gao, Feifei; Chino, Naotaka; Yokoi, Toshiyuki; Okubo, Tatsuya","A New Organically Templated Zinc Phosphite Synthesized in Phosphorous Acid Flux and Its Hydrothermal Analogue","Crystal Growth & Design","2006","6","11","2435","","10.1021/cg060466e","","","0.71073","MoKα","","0.0507","0.0385","","","0.0958","0.102","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508903","31.257","0.02","13.957","0.009","31.33","0.03","90","","115.118","0.007","90","","12375","16","293","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H38.5 Ag N5 Nd4 O27.75 -","- C62 H36 Ag N5 Nd4 O27.75 -","- C496 H288 Ag8 N40 Nd32 O222 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Selected Controlled Synthesis of Three-Dimensional 4d−4f Heterometallic Coordination Frameworks by Lanthanide Carboxylate Subunits and Silver Centers","Crystal Growth & Design","2006","6","11","2551","","10.1021/cg060485o","","","0.71073","MoKα","","0.0815","0.042","","","0.0651","0.0765","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508904","30.992","0.003","13.9203","0.0015","31.222","0.005","90","","115.08","0.001","90","","12200","3","293","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H38 Ag Eu4 N5 O27.5 -","- C62 H36 Ag Eu4 N5 O27.5 -","- C496 H288 Ag8 Eu32 N40 O220 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Selected Controlled Synthesis of Three-Dimensional 4d−4f Heterometallic Coordination Frameworks by Lanthanide Carboxylate Subunits and Silver Centers","Crystal Growth & Design","2006","6","11","2551","","10.1021/cg060485o","","","0.71073","MoKα","","0.0897","0.0445","","","0.0685","0.0812","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508905","21.85","0.002","7.509","0.0007","27.37","0.003","90","","104.095","0.001","90","","4355.4","0.7","293","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Ag N2 Nd O9 -","- C20 H12 Ag N2 Nd O9 -","- C160 H96 Ag8 N16 Nd8 O72 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Selected Controlled Synthesis of Three-Dimensional 4d−4f Heterometallic Coordination Frameworks by Lanthanide Carboxylate Subunits and Silver Centers","Crystal Growth & Design","2006","6","11","2551","","10.1021/cg060485o","","","0.71073","MoKα","","0.0336","0.0284","","","0.0691","0.0719","","","","","","1.005","","","","has coordinates,has disorder","179625","2020-10-21","18:00:00",""
"4508906","11.3359","0.0016","20.632","0.003","8.0994","0.0012","90","","94.359","0.003","90","","1888.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3:2 co-crystal of 4,4'-biphenol and 2-aminopyridine","3:2 co-crystal of 4,4'-biphenol and 2-aminopyridine","","- C23 H21 N2 O3 -","- C23 H21 N2 O3 -","- C92 H84 N8 O12 -","4","1","","Bis, Joanna A.; McLaughlin, Olga L.; Vishweshwar, Peddy; Zaworotko, Michael J.","Supramolecular Heterocatemers and Their Role in Cocrystal Design","Crystal Growth & Design","2006","6","12","2648","","10.1021/cg060516f","","","0.71073","MoKα","","0.0865","0.0465","","","0.1252","0.1629","","","","","","0.94","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508907","6.6784","0.0009","15.13","0.002","22.084","0.003","90","","92.2","0.002","90","","2229.8","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1:2 Co-crystal of 4,4'-biphenol and caprolactam","1:2 Co-crystal of 4,4'-biphenol and caprolactam","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C96 H128 N8 O16 -","4","0.5","","Bis, Joanna A.; McLaughlin, Olga L.; Vishweshwar, Peddy; Zaworotko, Michael J.","Supramolecular Heterocatemers and Their Role in Cocrystal Design","Crystal Growth & Design","2006","6","12","2648","","10.1021/cg060516f","","","0.71073","MoKα","","0.0584","0.0405","","","0.1058","0.1107","","","","","","1.003","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508908","6.5876","0.0013","9.3924","0.0019","16.172","0.003","76.124","0.004","79.358","0.004","78.071","0.004","940.8","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1:2 co-crystal of resorcinol and caprolactam","1:2 co-crystal of resorcinol and caprolactam","","- C18 H18 N2 O3 -","- C18 H28 N2 O4 -","- C36 H56 N4 O8 -","2","1","","Bis, Joanna A.; McLaughlin, Olga L.; Vishweshwar, Peddy; Zaworotko, Michael J.","Supramolecular Heterocatemers and Their Role in Cocrystal Design","Crystal Growth & Design","2006","6","12","2648","","10.1021/cg060516f","","","0.71073","MoKα","","0.0871","0.0577","","","0.1524","0.1674","","","","","","0.971","","","","has coordinates,has disorder","179625","2020-10-21","18:00:00",""
"4508909","9.4902","0.0007","13.9123","0.0013","16.7437","0.0014","83.044","0.003","75.802","0.005","88.309","0.005","2127.4","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 N2 O8 Pr -","- C25 H17 N2 O8 Pr -","- C50 H34 N4 O16 Pr2 -","2","1","","George, Sumod; Lipstman, Sophia; Goldberg, Israel","Porphyrin Supramolecular Solids Assembled with the Aid of Lanthanide Ions","Crystal Growth & Design","2006","6","12","2651","","10.1021/cg060520r","","","0.71073","MoKα","","0.087","0.0631","","","0.1535","0.1615","","","","","","0.941","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508910","21.6561","0.0004","23.9803","0.0005","30.9598","0.0009","90","","106.264","0.002","90","","15434.6","0.6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C150 H94 Cl3 Dy4 N14 O30 -","- C150 H94 Cl3 Dy4 N14 O30 -","- C600 H376 Cl12 Dy16 N56 O120 -","4","0.5","","George, Sumod; Lipstman, Sophia; Goldberg, Israel","Porphyrin Supramolecular Solids Assembled with the Aid of Lanthanide Ions","Crystal Growth & Design","2006","6","12","2651","","10.1021/cg060520r","","","0.71073","MoKα","","0.0913","0.0586","","","0.1561","0.1683","","","","","","1.022","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508911","16.153","0.0006","16.1512","0.0006","31.2991","0.001","99.842","0.002","99.877","0.002","96.6724","0.0018","7836.6","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C150 H100 N14 Nd4 O30 -","- C150 H100 N14 Nd4 O30 -","- C300 H200 N28 Nd8 O60 -","2","1","","George, Sumod; Lipstman, Sophia; Goldberg, Israel","Porphyrin Supramolecular Solids Assembled with the Aid of Lanthanide Ions","Crystal Growth & Design","2006","6","12","2651","","10.1021/cg060520r","","","0.71073","MoKα","","0.1873","0.092","","","0.1832","0.2116","","","","","","0.938","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508912","16.0503","0.0015","16.0503","0.0015","36.843","0.007","90","","90","","120","","8219.6","1.9","90","2","90","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C15 H14 Cu N3 O9.63 -","- C15 H14 Cu N3 O9.63 -","- C180 H168 Cu12 N36 O115.56 -","12","1","","Luisi, Brian S.; Kravtsov, Victor Ch.; Moulton, Brian D.","An (8,3)-a 3D Coordination Network and Concomitant Three-Connected Supramolecular Isomers","Crystal Growth & Design","2006","6","10","2207","","10.1021/cg060534x","","","0.71073","MoKα","","0.2243","0.1951","","","0.4607","0.4766","","","","","","1.94","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508913","21.435","0.002","21.435","0.002","11.382","0.002","90","","90","","90","","5229.6","1.1","90","2","90","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C17.27 H20 Cu N3 O7.27 -","- C17.272 H20 Cu N3 O7.272 -","- C138.176 H160 Cu8 N24 O58.176 -","8","0.5","","Luisi, Brian S.; Kravtsov, Victor Ch.; Moulton, Brian D.","An (8,3)-a 3D Coordination Network and Concomitant Three-Connected Supramolecular Isomers","Crystal Growth & Design","2006","6","10","2207","","10.1021/cg060534x","","","0.71073","MoKα","","0.1289","0.0956","","","0.3207","0.3515","","","","","","1.475","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508914","10.043","0.003","31.429","0.009","11.821","0.004","90","","92.98","0.005","90","","3726","2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Cu2 N6 O18 -","- C30 H44 Cu2 N6 O18 -","- C120 H176 Cu8 N24 O72 -","4","1","","Luisi, Brian S.; Kravtsov, Victor Ch.; Moulton, Brian D.","An (8,3)-a 3D Coordination Network and Concomitant Three-Connected Supramolecular Isomers","Crystal Growth & Design","2006","6","10","2207","","10.1021/cg060534x","","","0.71073","MoKα","","0.1902","0.0846","","","0.1824","0.2133","","","","","","0.925","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508915","10.0247","0.0002","10.0247","0.0002","29.1741","0.0005","90","","90","","90","","2931.84","0.1","183","2","183","2","","","","","","","","6","P 41","P 4w","76","","","","- C29 H28 Fe N7 O5 S -","- C29 H28 Fe N7 O5 S -","- C116 H112 Fe4 N28 O20 S4 -","4","1","","Roth, Arne; Koth, Daniel; Gottschaldt, Michael; Plass, Winfried","An Inorganic Thymidine Helix: Design of Homochiral Helical Arrays","Crystal Growth & Design","2006","6","12","2655","","10.1021/cg060545q","","","0.71073","MoKα","","0.0659","0.0427","","","0.0798","0.0882","","","","","","1.03","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508916","15.217","0.003","24.475","0.005","15.889","0.003","90","","93.35","0.03","90","","5908","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H57 Ce N7 O41 W10 -","- C23 H57 Ce N7 O41 W10 -","- C92 H228 Ce4 N28 O164 W40 -","4","1","","Liu, Ce; Luo, Fang; Liu, Na; Cui, Yan; Wang, Xiang; Wang, Enbo; Chen, Ji","One-Dimensional Helical Chain Based on Decatungstate and Cerium Organic−Inorganic Hybrid Material","Crystal Growth & Design","2006","6","12","2658","","10.1021/cg060610w","","","0.71073","MoKα","","0.0791","0.0584","","","0.1402","0.1517","","","","","","1.049","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4511430","6.756","0.0017","18.725","0.005","6.5954","0.0017","90","","109.716","0.005","90","","785.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cu N2 O6 -","- C6 H6 Cu N2 O6 -","- C24 H24 Cu4 N8 O24 -","4","1","","Yigit, Mehmet V.; Wang, Yu; Moulton, Brian; MacDonald, John C.","Generation of Linear Coordination Polymers ofcatena-[Diaqua-(μ-pyrazine-2,6-dicarboxylato-N,O,O‘-μ-N‘)copper(II) via in Situ Hydro(solvo)thermal Decarboxylation of Pyrazine-2,3,5,6-tetracarboxylic Acid","Crystal Growth & Design","2006","6","4","829","","10.1021/cg050621+","","","0.71073","MoKα","","0.0385","0.0325","","","0.0739","0.0761","","","","","","1.039","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511431","4.9095","0.0009","17.009","0.003","6.6979","0.0011","90","","101.833","0.015","90","","547.43","0.17","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H17 N O6 -","- C9 H17 N O6 -","- C18 H34 N2 O12 -","2","1","","Sakurai, Rumiko; Yuzawa, Atsushi; Sakai, Kenichi; Hirayama, Noriaki","Dielectrically Controlled Enantiomeric Resolution (DCR) of (R)- and (S)-2-Methylpyrrolidine by (R,R)-Tartaric Acid","Crystal Growth & Design","2006","6","7","1606","","10.1021/cg060041s","","","1.54187","CuKα","","","0.0484","","","","0.1107","","","","","","0.781","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511432","7.322","0.004","7.666","0.005","21.706","0.012","90","","90","","90","","1218.4","1.2","293.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H19 N O7 -","- C9 H19 N O7 -","- C36 H76 N4 O28 -","4","1","","Sakurai, Rumiko; Yuzawa, Atsushi; Sakai, Kenichi; Hirayama, Noriaki","Dielectrically Controlled Enantiomeric Resolution (DCR) of (R)- and (S)-2-Methylpyrrolidine by (R,R)-Tartaric Acid","Crystal Growth & Design","2006","6","7","1606","","10.1021/cg060041s","","","1.54187","CuKα","","","0.0577","","","","0.0989","","","","","","0.843","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511433","11.962","0.003","8.0971","0.0018","21.27","0.005","90","","101.282","0.004","90","","2020.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Ni3 O28 S2 -","- C32 H38 Ni3 O28 S2 -","- C64 H76 Ni6 O56 S4 -","2","0.5","","Zang, Shuangquan; Su, Yang; Song, You; Li, Yizhi; Ni, Zhaoping; Zhu, Huizhen; Meng, Qingjin","Tuning the Framework Formation of Ni(II) Complexes by Controlling the Hydrolysis of 2,2‘,3,3‘-Thiodiphthalic Dianhydride: Syntheses, Crystal Structures, and Physical Properties","Crystal Growth & Design","2006","6","10","2369","","10.1021/cg060343u","","","0.71073","MoKα","","0.077","0.0579","","","0.123","0.1273","","","","","","1.044","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511434","24.0689","0.0011","11.044","0.0005","14.1809","0.0007","90","","95.176","0.001","90","","3754.2","0.3","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Ag B F4 N10 O4 -","- C40 H30 Ag B F4 N10 O4 -","- C160 H120 Ag4 B4 F16 N40 O16 -","4","0.5","","Reger, Daniel L.; Semeniuc, Radu F.; Elgin, J. Derek; Rassolov, Vitaly; Smith, Mark D.","1,8-Naphthalimide Synthon in Silver Coordination Chemistry: Control of Supramolecular Arrangement","Crystal Growth & Design","2006","6","12","2758","","10.1021/cg060460p","","","0.71073","MoKα","","0.0445","0.0375","","","0.0947","0.0974","","","","","","1.06","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511435","18.4052","0.0013","15.0034","0.001","29.98","0.002","90","","90.242","0.002","90","","8278.6","1","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 Ag B F4 N10 O5 -","- C43 H36 Ag B F4.01 N10 O5 -","- C344 H288 Ag8 B8 F32.08 N80 O40 -","8","2","","Reger, Daniel L.; Semeniuc, Radu F.; Elgin, J. Derek; Rassolov, Vitaly; Smith, Mark D.","1,8-Naphthalimide Synthon in Silver Coordination Chemistry: Control of Supramolecular Arrangement","Crystal Growth & Design","2006","6","12","2758","","10.1021/cg060460p","","","0.71073","MoKα","","0.092","0.0568","","","0.1184","0.1301","","","","","","0.99","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511436","8.2474","0.0005","16.7308","0.0009","17.3111","0.0009","96.448","0.001","100.949","0.001","103.818","0.001","2246","0.2","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C48 H46 Ag B F4 N10 O4 -","- C48 H46 Ag B F4 N10 O4 -","- C96 H92 Ag2 B2 F8 N20 O8 -","2","1","","Reger, Daniel L.; Semeniuc, Radu F.; Elgin, J. Derek; Rassolov, Vitaly; Smith, Mark D.","1,8-Naphthalimide Synthon in Silver Coordination Chemistry: Control of Supramolecular Arrangement","Crystal Growth & Design","2006","6","12","2758","","10.1021/cg060460p","","","0.71073","MoKα","","0.0554","0.0451","","","0.1049","0.1094","","","","","","0.992","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511437","17.1014","0.0003","17.1014","0.0003","31.0748","0.0014","90","","90","","90","","9088.1","0.5","150","1","150","1","","","","","","","","7","P 43 2 2","P 4cw 2c","95","","","","- C48 H47 Ag B F4 N10 O4.5 -","- C48 H46 Ag B F4 N10 O4.5 -","- C384 H368 Ag8 B8 F32 N80 O36 -","8","1","","Reger, Daniel L.; Semeniuc, Radu F.; Elgin, J. Derek; Rassolov, Vitaly; Smith, Mark D.","1,8-Naphthalimide Synthon in Silver Coordination Chemistry: Control of Supramolecular Arrangement","Crystal Growth & Design","2006","6","12","2758","","10.1021/cg060460p","","","0.71073","MoKα","","0.0524","0.0452","","","0.1027","0.1058","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511438","22.347","0.004","15.636","0.003","17.756","0.003","90","","98.506","0.003","90","","6136","1.9","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C56.5 H74.5 Cl3 O5.75 -","- C56.5 H73 Cl3 O5.75 -","- C226 H292 Cl12 O23 -","4","0.5","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Varying the Interplay of Calix[5]arenes through Chloromethane Inclusion","Crystal Growth & Design","2006","6","12","2783","","10.1021/cg0605279","","","0.71073","MoKα","","0.1439","0.1108","","","0.2615","0.2849","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511439","23.14","0.003","14.94","0.003","9.609","0.001","90","","90","","90","","3321.9","0.9","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C37 H34 Cl4 O5 -","- C37 H34 Cl5 O5 -","- C148 H136 Cl20 O20 -","4","0.5","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Varying the Interplay of Calix[5]arenes through Chloromethane Inclusion","Crystal Growth & Design","2006","6","12","2783","","10.1021/cg0605279","","","0.71073","MoKα","","0.1092","0.0929","","","0.2544","0.2773","","","","","","1.068","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511440","18.639","0.004","11.066","0.002","28.419","0.006","90","","108.043","0.003","90","","5573","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C67 H52 Cl6 O5 -","- C66.98 H51.98 Cl5.94 O5 -","- C267.92 H207.92 Cl23.76 O20 -","4","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Varying the Interplay of Calix[5]arenes through Chloromethane Inclusion","Crystal Growth & Design","2006","6","12","2783","","10.1021/cg0605279","","","0.71073","MoKα","","0.1544","0.0977","","","0.2421","0.2861","","","","","","1.046","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511441","21.3666","0.0006","9.2617","0.0002","15.476","0.0003","90","","92.479","0.001","90","","3059.7","0.12","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(4-methoxyphenyl)-9H-xanthen-9-ol","","- C20 H16 O3 -","- C20 H16 O3 -","- C160 H128 O24 -","8","2","","Curtis, Elizabeth; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Jana H.","Xanthenol Clathrates: Structures and Solid−Solid Reactions","Crystal Growth & Design","2006","6","12","2716","","10.1021/cg060384q","","","0.71073","MoKα","","0.0945","0.0435","","","0.0885","0.1039","","","","","","0.962","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511442","20.3386","0.0004","20.3386","0.0004","20.3386","0.0004","90","","90","","90","","8413.2","0.3","298","2","298","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","","","","- C26.67 H5.33 Cd9 N10.67 O25.33 S -","- C26.46 H5.28 Cd9 N10.56 O25.18 S -","- C105.84 H21.12 Cd36 N42.24 O100.72 S4 -","4","0.0416667","","Fang, Rui-Qing; Zhang, Xu-Hui; Zhang, Xian-Ming","A NaCl-like Metal−Organic Framework Constructed by Unprecedented Tetrahedral Cd4O6and Cd5O6Units","Crystal Growth & Design","2006","6","12","2637","","10.1021/cg060408t","","","0.71073","MoKα","","0.0494","0.0493","","","0.1342","0.1343","","","","","","1.217","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511443","12.9979","0.0011","16.3568","0.0013","17.6387","0.0015","100.161","0.002","108.258","0.002","111.232","0.002","3136.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H65 N17 O22 -","- C54 H65 N17 O22 -","- C108 H130 N34 O44 -","2","1","","Ravikumar, I.; Lakshminarayanan, P. S.; Suresh, Eringathodi; Ghosh, Pradyut","Recognition of Water−Acetonitrile−Water Cluster in a Tetraprotonated Picrate Salt of Octaaminocryptand","Crystal Growth & Design","2006","6","12","2630","","10.1021/cg0603624","","","0.71073","MoKα","","0.1177","0.0731","","","0.1792","0.2079","","","","","","0.976","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511444","22.552","0.0009","12.9259","0.0004","7.2463","0.0002","90","","90","","90","","2112.33","0.12","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","2,5-bis(2-hydroxyethoxy)-1,4-bis(phenylethynyl)benzene","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","0.5","","Sanyal, Nibedita; Lahti, Paul M.","Hydrogen-Bond-Assisted, Crossed Dipole π-Stacking in 1,4-Bis(phenylethynyl)benzene","Crystal Growth & Design","2006","6","6","1253","","10.1021/cg060019z","","","0.71073","MoKα","","0.1942","0.1194","","","0.1455","0.1639","","","","","","1.245","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511445","8.5786","0.0012","10.446","0.0013","24.323","0.004","90","","98.27","0.008","90","","2157","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Cd N2 O6.5 -","- C21 H26 Cd N2 O6.5 -","- C84 H104 Cd4 N8 O26 -","4","1","","Li, Feng; Li, Taohai; Li, Xiaoju; Li, Xing; Wang, Yuling; Cao, Rong","Synthesis of Chiral Coordination Polymers by Spontaneous Resolution","Crystal Growth & Design","2006","6","6","1458","","10.1021/cg0600905","","","0.71073","MoKα","","0.0793","0.0648","","","0.16","0.1716","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511446","5.7005","0.0012","7.8968","0.0017","5.5242","0.0012","90","","90","","90","","248.68","0.09","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- La O3 Rh -","- La O3 Rh -","- La4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0356","0.029","","","0.0567","0.0588","","","","","","1.141","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511447","5.7405","0.0002","7.8032","0.0003","5.4167","0.0002","90","","90","","90","","242.637","0.015","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Pr Rh -","- O3 Pr Rh -","- O12 Pr4 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0252","0.0221","","","0.044","0.0447","","","","","","1.161","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511448","5.7524","0.0003","7.7703","0.0004","5.3758","0.0003","90","","90","","90","","240.29","0.02","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Nd O3 Rh -","- Nd O3 Rh -","- Nd4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0309","0.0282","","","0.0623","0.0632","","","","","","1.105","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511449","5.7566","0.0003","7.7084","0.0004","5.3231","0.0003","90","","90","","90","","236.21","0.02","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Rh Sm -","- O3 Rh Sm -","- O12 Rh4 Sm4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.033","0.0295","","","0.0553","0.0564","","","","","","1.115","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511450","5.7574","0.0003","7.6786","0.0004","5.2978","0.0003","90","","90","","90","","234.21","0.02","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu O3 Rh -","- Eu O3 Rh -","- Eu4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0255","0.0246","","","0.0569","0.0574","","","","","","1.141","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511451","5.7454","0.0003","7.6254","0.0005","5.2538","0.0003","90","","90","","90","","230.17","0.02","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Rh Tb -","- O3 Rh Tb -","- O12 Rh4 Tb4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0355","0.0295","","","0.05","0.0512","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511452","5.5242","0.0012","5.7005","0.0012","7.8968","0.0017","90","","90","","90","","248.68","0.09","294","1","294","1","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- La O3 Rh -","- La O3 Rh -","- La4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0356","0.029","","","0.0567","0.0588","","","","","","1.141","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511453","5.4167","0.0002","5.7405","0.0002","7.8032","0.0003","90","","90","","90","","242.637","0.015","294","1","294","1","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- O3 Pr Rh -","- O3 Pr Rh -","- O12 Pr4 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0252","0.0221","","","0.044","0.0446","","","","","","1.161","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511454","5.3758","0.0003","5.7524","0.0003","7.7703","0.0004","90","","90","","90","","240.29","0.02","294","1","294","1","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Nd O3 Rh -","- Nd O3 Rh -","- Nd4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0309","0.0282","","","0.0623","0.0632","","","","","","1.105","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511455","5.3231","0.0003","5.7566","0.0003","7.7084","0.0004","90","","90","","90","","236.21","0.02","294","1","294","1","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- O3 Rh Sm -","- O3 Rh Sm -","- O12 Rh4 Sm4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.033","0.0295","","","0.0553","0.0564","","","","","","1.115","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511456","5.2978","0.0003","5.7574","0.0003","7.6786","0.0004","90","","90","","90","","234.21","0.02","294","1","294","2","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Eu O3 Rh -","- Eu O3 Rh -","- Eu4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0255","0.0246","","","0.057","0.0574","","","","","","1.141","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511457","5.2538","0.0003","5.7454","0.0003","7.6254","0.0005","90","","90","","90","","230.17","0.02","294","1","294","1","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- O3 Rh Tb -","- O3 Rh Tb -","- O12 Rh4 Tb4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0355","0.0295","","","0.0499","0.0512","","","","","","1.067","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511458","24.82","0.0005","24.82","0.0005","24.82","0.0005","90","","90","","90","","15289.9","0.5","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C12 H44 Cu6 N18 O19 -","- C12 H12 Cu6 N18 O19 -","- C192 H192 Cu96 N288 O304 -","16","0.0833333","","Zhai, Quan-Guo; Lu, Can-Zhong; Chen, Shu-Mei; Xu, Xin-Jiang; Yang, Wen-Bin","Design of Novel Three-Dimensional Coordination Polymers Based on Triangular Trinuclear Copper 1,2,4-Triazolate Units","Crystal Growth & Design","2006","6","6","1393","","10.1021/cg0600142","","","0.71073","MoKα","","0.0557","0.0557","","","0.141","0.141","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511459","11.6208","0.0007","11.6208","0.0007","5.964","0.0008","90","","90","","120","","697.49","0.11","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C6 H6 Cl3 Cu4 N9 O -","- C6 H6 Cl3 Cu4 N9 O -","- C12 H12 Cl6 Cu8 N18 O2 -","2","0.0833333","","Zhai, Quan-Guo; Lu, Can-Zhong; Chen, Shu-Mei; Xu, Xin-Jiang; Yang, Wen-Bin","Design of Novel Three-Dimensional Coordination Polymers Based on Triangular Trinuclear Copper 1,2,4-Triazolate Units","Crystal Growth & Design","2006","6","6","1393","","10.1021/cg0600142","","","0.71073","MoKα","","0.0451","0.0432","","","0.0823","0.0831","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511460","6.764","0.004","6.981","0.004","12.338","0.007","90","","90","","90","","582.6","0.6","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 H2 Cl2 Cu2 N3 -","- C2 H2 Cl2 Cu2 N3 -","- C8 H8 Cl8 Cu8 N12 -","4","0.25","","Zhai, Quan-Guo; Lu, Can-Zhong; Chen, Shu-Mei; Xu, Xin-Jiang; Yang, Wen-Bin","Design of Novel Three-Dimensional Coordination Polymers Based on Triangular Trinuclear Copper 1,2,4-Triazolate Units","Crystal Growth & Design","2006","6","6","1393","","10.1021/cg0600142","","","0.71073","MoKα","","0.0272","0.0268","","","0.0636","0.0638","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511461","15.7921","0.0003","20.8796","0.0002","15.6669","0.0004","90","","90","","90","","5165.89","0.17","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H8 Cd3 N10 O2 S6 -","- C14 H8 Cd3 N10 O2 S6 -","- C112 H64 Cd24 N80 O16 S48 -","8","0.5","","Sun, Hao-Ling; Ma, Bao-Qing; Gao, Song; Batten, Stuart R.","A Novel Acentric Three-Dimensional Network with Complicated Topology","Crystal Growth & Design","2006","6","6","1261","","10.1021/cg060037g","","","0.71073","MoKα","","0.0222","0.0199","","","0.0436","0.0444","","","","","","1.052","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511462","17.18","0.003","15.269","0.003","12.1374","0.0019","90","","108.606","0.003","90","","3017.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12.5 H10.5 Br2 Cd N3.5 O0.5 -","- C12.5 H10.5 Br2 Cd N3.5 O0.5 -","- C100 H84 Br16 Cd8 N28 O4 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0451","0.0364","","","0.0887","0.093","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511463","11.4604","0.0014","16.882","0.002","9.3032","0.0013","90","","106.605","0.011","90","","1724.9","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","silver(I) imidazolate","","","- C3 H3 Ag N2 -","- C3 H3 Ag N2 -","- C48 H48 Ag16 N32 -","16","4","","Huang, Xiao-Chun; Zhang, Jie-Peng; Chen, Xiao-Ming","One-Dimensional Supramolecular Isomerism of Copper(I) and Silver(I) Imidazolates Based on the Ligand Orientations","Crystal Growth & Design","2006","6","5","1194","","10.1021/cg060048+","","","0.71073","MoKα","","0.031","0.0252","","","0.0572","0.0596","","","","","","1.044","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511464","10.1747","0.0016","6.8415","0.0009","23.881","0.002","90","","90","","90","","1662.4","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","silver(I) imidazolate","","","- C3 H3 Ag N2 -","- C3 H3 Ag N2 -","- C48 H48 Ag16 N32 -","16","2","","Huang, Xiao-Chun; Zhang, Jie-Peng; Chen, Xiao-Ming","One-Dimensional Supramolecular Isomerism of Copper(I) and Silver(I) Imidazolates Based on the Ligand Orientations","Crystal Growth & Design","2006","6","5","1194","","10.1021/cg060048+","","","0.71073","MoKα","","0.0354","0.0272","","","0.0627","0.067","","","","","","1.064","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511465","16.1207","0.0017","16.1229","0.0017","13.1021","0.0014","90","","99.85","0.002","90","","3355.2","0.6","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","copper(I) imidazolate","","","- C3 H3 Cu N2 -","- C3 H3 Cu N2 -","- C96 H96 Cu32 N64 -","32","4","","Huang, Xiao-Chun; Zhang, Jie-Peng; Chen, Xiao-Ming","One-Dimensional Supramolecular Isomerism of Copper(I) and Silver(I) Imidazolates Based on the Ligand Orientations","Crystal Growth & Design","2006","6","5","1194","","10.1021/cg060048+","","","0.71073","MoKα","","0.1084","0.0554","","","0.123","0.1463","","","","","","1.002","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511466","5.41","0.002","6.943","0.003","33.058","0.012","90","","97.647","0.008","90","","1230.7","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","copper(I) imidazolate","","","- C3 H3 Cu N2 -","- C3 H3 Cu N2 -","- C36 H36 Cu12 N24 -","12","3","","Huang, Xiao-Chun; Zhang, Jie-Peng; Chen, Xiao-Ming","One-Dimensional Supramolecular Isomerism of Copper(I) and Silver(I) Imidazolates Based on the Ligand Orientations","Crystal Growth & Design","2006","6","5","1194","","10.1021/cg060048+","","","0.71073","MoKα","","0.094","0.0567","","","0.109","0.1282","","","","","","1.082","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511467","8.2519","0.0018","11.814","0.003","22.267","0.005","90","","90","","90","","2170.8","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N6 O4 -","- C22 H20 N6 O4 -","- C88 H80 N24 O16 -","4","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.0607","0.0457","","","0.1058","0.116","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511468","6.169","0.002","22.252","0.009","10.396","0.003","90","","116.387","0.017","90","","1278.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N3 O6 -","- C12 H8 N3 O6 -","- C48 H32 N12 O24 -","4","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.1393","0.0817","","","0.2378","0.2497","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511469","5.6782","0.0017","21.221","0.006","10.394","0.003","90","","91.946","0.004","90","","1251.7","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H16 N6 O12 -","- C24 H16 N6 O12 -","- C48 H32 N12 O24 -","2","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.0444","0.033","","","0.0754","0.0805","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511470","8.175","0.004","6.719","0.003","11.189","0.005","90","","98.991","0.006","90","","607","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.0443","0.0341","","","0.0809","0.0849","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511471","7.8399","0.0019","6.8494","0.0017","20.788","0.005","90","","92.555","0.004","90","","1115.2","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N2 O4 -","- C12 H9 N2 O4 -","- C48 H36 N8 O16 -","4","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.1016","0.0442","","","0.1054","0.1306","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511472","4.2446","0.0009","23.732","0.005","13.884","0.003","90","","97.441","0.004","90","","1386.8","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C56 H56 N8 O20 -","4","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.0846","0.0441","","","0.1068","0.1269","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511473","13.1877","0.0014","9.1381","0.001","17.334","0.0018","90","","90.751","0.002","90","","2088.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Cu2 Mo N16 -","- C8 H24 Cu2 Mo N16 -","- C32 H96 Cu8 Mo4 N64 -","4","1","","Wang, Zhao-Xi; Zhang, Peng; Shen, Xiao-Fei; Song, You; You, Xiao-Zeng; Hashimoto, Kazuhito","Syntheses, Structures, and Properties of Two Three-Dimensional Octacyanometalate-Based Polymers: Cs2Cu3[W(CN)8]2·4NH3·4H2O and Cu2[Mo(CN)8]·8NH3","Crystal Growth & Design","2006","6","11","2457","","10.1021/cg050555b","","","0.71073","MoKα","","0.0495","0.0345","","","0.0628","0.0656","","","","","","0.916","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511474","11.309","0.002","13.025","0.003","13.279","0.003","113.67","0.03","95.36","0.03","105.41","0.03","1682.1","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 Cl2 Cu N6 S4 -","- C32 H22 Cl2 Cu N6 S4 -","- C64 H44 Cl4 Cu2 N12 S8 -","2","1","","Ren, X. M.; Ni, Z. P.; Noro, S.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Sui, Y. X.; Song, Y.","Diversities of Coordination Geometry at Cu2+Center in the Bis(maleonitriledithiolato)cuprate Complexes: Syntheses, Magnetic Properties, X-ray Crystal Structural Analyses, and DFT Calculations","Crystal Growth & Design","2006","6","11","2530","","10.1021/cg0602966","","","0.71073","MoKα","","0.0345","0.0314","","","0.087","0.0912","","","","","","1.08","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511475","11.175","0.002","12.045","0.002","15.013","0.003","86.38","0.03","70.02","0.03","65.19","0.03","1716.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 Cu I2 N6 S4 -","- C32 H22 Cu I2 N6 S4 -","- C64 H44 Cu2 I4 N12 S8 -","2","1","","Ren, X. M.; Ni, Z. P.; Noro, S.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Sui, Y. X.; Song, Y.","Diversities of Coordination Geometry at Cu2+Center in the Bis(maleonitriledithiolato)cuprate Complexes: Syntheses, Magnetic Properties, X-ray Crystal Structural Analyses, and DFT Calculations","Crystal Growth & Design","2006","6","11","2530","","10.1021/cg0602966","","","0.71073","MoKα","","0.047","0.031","","","0.0686","0.0742","","","","","","1.034","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511476","13.846","0.007","12.157","0.005","10.303","0.003","90","","106.9","0.02","90","","1659.4","1.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H22 Cu F2 N6 S4 -","- C32 H22 Cu F2 N6 S4 -","- C64 H44 Cu2 F4 N12 S8 -","2","0.25","","Ren, X. M.; Ni, Z. P.; Noro, S.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Sui, Y. X.; Song, Y.","Diversities of Coordination Geometry at Cu2+Center in the Bis(maleonitriledithiolato)cuprate Complexes: Syntheses, Magnetic Properties, X-ray Crystal Structural Analyses, and DFT Calculations","Crystal Growth & Design","2006","6","11","2530","","10.1021/cg0602966","","","0.7107","MoKα","","0.0311","0.027","","","0.0713","0.0731","","","","","","1.047","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511477","12.704","0.003","17.768","0.004","21.609","0.004","108.07","0.03","96.9","0.03","95.44","0.03","4558","2","223","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Cu N10 S4 -","- C24 H32 Cu N10 S4 -","- C144 H192 Cu6 N60 S24 -","6","3","","Ren, X. M.; Ni, Z. P.; Noro, S.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Sui, Y. X.; Song, Y.","Diversities of Coordination Geometry at Cu2+Center in the Bis(maleonitriledithiolato)cuprate Complexes: Syntheses, Magnetic Properties, X-ray Crystal Structural Analyses, and DFT Calculations","Crystal Growth & Design","2006","6","11","2530","","10.1021/cg0602966","","","0.71073","MoKα","","0.1034","0.0529","","","0.1209","0.1524","","","","","","1.034","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511478","24.488","0.004","4.749","0.001","22.065","0.003","90","","110.87","0.01","90","","2397.7","0.7","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C30 H24 O6 -","- C30 H18 O6 -","- C120 H72 O24 -","4","1","","Vergadou, Vassiliki; Pistolis, George; Michaelides, Adonis; Varvounis, George; Siskos, Michael; Boukos, Nikos; Skoulika, Stavroula","Self-Organization of Four Symmetric Tri-phenyl-benzene Derivatives","Crystal Growth & Design","2006","6","11","2486","","10.1021/cg060183m","","","0.71073","MoKα","","0.1055","0.0629","","","0.1791","0.2244","","","","","","0.927","","","","has coordinates","287904","2023-11-30","17:49:47",""
"4511479","14.447","0.001","18.806","0.001","21.515","0.001","90","","90","","90","","5845.4","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Cl3 -","- C24 H15 Cl3 -","- C288 H180 Cl36 -","12","3","","Vergadou, Vassiliki; Pistolis, George; Michaelides, Adonis; Varvounis, George; Siskos, Michael; Boukos, Nikos; Skoulika, Stavroula","Self-Organization of Four Symmetric Tri-phenyl-benzene Derivatives","Crystal Growth & Design","2006","6","11","2486","","10.1021/cg060183m","","","1.54178","CuKα","","0.1053","0.0749","","","0.2001","0.2491","","","","","","1.086","","","","has coordinates","287904","2023-11-30","17:49:47",""
"4511480","14.381","0.006","9.979","0.004","16.373","0.007","90","","110.993","0.006","90","","2193.7","1.6","298","2","298","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C14 H18 Ag F6 N4 O S2 Sb -","- C14 H18 Ag F6 N4 O S2 Sb -","- C56 H72 Ag4 F24 N16 O4 S8 Sb4 -","4","1","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Zhao, Xia-Xia; Shen, Da-Zhong; Huang, Ru-Qi","Ag(I) Complexes Generated from Double Schiff-Base Ligand with Thiazole as the Terminal Binding Sites","Crystal Growth & Design","2006","6","11","2475","","10.1021/cg060158g","","","0.71073","MoKα","","0.0972","0.062","","","0.1569","0.1743","","","","","","0.917","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511481","17.353","0.009","20.233","0.01","18.235","0.009","90","","90","","90","","6402","6","298","2","298","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C33 H36 Ag3 Cl6 F18 N12 S6 Sb3 -","- C33 H36 Ag3 Cl6 F18 N12 S6 Sb3 -","- C132 H144 Ag12 Cl24 F72 N48 S24 Sb12 -","4","1","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Zhao, Xia-Xia; Shen, Da-Zhong; Huang, Ru-Qi","Ag(I) Complexes Generated from Double Schiff-Base Ligand with Thiazole as the Terminal Binding Sites","Crystal Growth & Design","2006","6","11","2475","","10.1021/cg060158g","","","0.71073","MoKα","","0.0768","0.0578","","","0.131","0.1435","","","","","","1.048","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511482","13.044","0.0019","13.044","0.0019","18.275","0.004","90","","90","","120","","2692.8","0.8","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C11 H10 Ag F3 N4 O3 S3 -","- C11 H10 Ag F3 N4 O3 S3 -","- C66 H60 Ag6 F18 N24 O18 S18 -","6","0.5","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Zhao, Xia-Xia; Shen, Da-Zhong; Huang, Ru-Qi","Ag(I) Complexes Generated from Double Schiff-Base Ligand with Thiazole as the Terminal Binding Sites","Crystal Growth & Design","2006","6","11","2475","","10.1021/cg060158g","","","0.71073","MoKα","","0.0701","0.0519","","","0.1432","0.1528","","","","","","1.09","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511483","20.934","0.006","9.529","0.003","10.578","0.003","90","","115.762","0.004","90","","1900.4","1","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Ag2 N4 O8 P2 S2 -","- C10 H14 Ag2 N4 O8 P2 S2 -","- C40 H56 Ag8 N16 O32 P8 S8 -","4","0.5","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Zhao, Xia-Xia; Shen, Da-Zhong; Huang, Ru-Qi","Ag(I) Complexes Generated from Double Schiff-Base Ligand with Thiazole as the Terminal Binding Sites","Crystal Growth & Design","2006","6","11","2475","","10.1021/cg060158g","","","0.71073","MoKα","","0.106","0.0871","","","0.2105","0.2233","","","","","","1.171","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511484","20.606","0.009","9.489","0.004","9.697","0.004","90","","117.339","0.005","90","","1684.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2.86 H2.86 Ag0.57 N1.71 O1.71 S0.57 -","- C2.85714 H2.85714 Ag0.571429 N1.71429 O1.71429 S0.571429 -","- C40 H40 Ag8 N24 O24 S8 -","14","1.75","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Zhao, Xia-Xia; Shen, Da-Zhong; Huang, Ru-Qi","Ag(I) Complexes Generated from Double Schiff-Base Ligand with Thiazole as the Terminal Binding Sites","Crystal Growth & Design","2006","6","11","2475","","10.1021/cg060158g","","","0.71073","MoKα","","0.0461","0.0393","","","0.0978","0.102","","","","","","1.045","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511485","16.622","0.003","16.622","0.003","17.733","0.006","90","","90","","90","","4899","2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H24 Br2 Cu2 N4 -","- C24 H24 Br2 Cu2 N4 -","- C192 H192 Br16 Cu16 N32 -","8","1","","Hu, Sheng; Zhou, Ai-Ju; Zhang, Yue-Hua; Ding, Shu; Tong, Ming-Liang","1D Tubular Chains and 3D Polycatenane Frameworks Constructed with Cu2X2Dimers (X = Br-, I-, CN-) and Flexible Dipyridyl Spacers","Crystal Growth & Design","2006","6","11","2543","","10.1021/cg060370k","","","0.71073","MoKα","","0.0995","0.0466","","","0.0709","0.0814","","","","","","0.828","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511486","13.543","0.001","6.9515","0.0005","30.757","0.002","90","","101.314","0.001","90","","2839.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu4 N8 -","- C28 H24 Cu4 N8 -","- C112 H96 Cu16 N32 -","4","1","","Hu, Sheng; Zhou, Ai-Ju; Zhang, Yue-Hua; Ding, Shu; Tong, Ming-Liang","1D Tubular Chains and 3D Polycatenane Frameworks Constructed with Cu2X2Dimers (X = Br-, I-, CN-) and Flexible Dipyridyl Spacers","Crystal Growth & Design","2006","6","11","2543","","10.1021/cg060370k","","","0.71073","MoKα","","0.0861","0.0552","","","0.1427","0.1647","","","","","","1.014","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511487","12.2098","0.001","12.2098","0.001","35.803","0.004","90","","90","","90","","5337.5","0.9","123","2","123","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H28 Br2 Cu2 N4 -","- C26 H28 Br2 Cu2 N4 -","- C208 H224 Br16 Cu16 N32 -","8","1","","Hu, Sheng; Zhou, Ai-Ju; Zhang, Yue-Hua; Ding, Shu; Tong, Ming-Liang","1D Tubular Chains and 3D Polycatenane Frameworks Constructed with Cu2X2Dimers (X = Br-, I-, CN-) and Flexible Dipyridyl Spacers","Crystal Growth & Design","2006","6","11","2543","","10.1021/cg060370k","","","0.71073","MoKα","","0.0938","0.0641","","","0.1492","0.1666","","","","","","1.021","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511488","16.072","0.002","13.1","0.002","8.4752","0.0013","90","","94.335","0.003","90","","1779.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C33 H36 Cu2 I2 N4 -","- C33 H28 Cu2 I2 N4 -","- C66 H56 Cu4 I4 N8 -","2","0.25","","Hu, Sheng; Zhou, Ai-Ju; Zhang, Yue-Hua; Ding, Shu; Tong, Ming-Liang","1D Tubular Chains and 3D Polycatenane Frameworks Constructed with Cu2X2Dimers (X = Br-, I-, CN-) and Flexible Dipyridyl Spacers","Crystal Growth & Design","2006","6","11","2543","","10.1021/cg060370k","","","0.71073","MoKα","","0.0502","0.0414","","","0.1081","0.1148","","","","","","1.034","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511489","15.7611","0.0017","13.149","0.0014","8.4107","0.0009","90","","94.423","0.002","90","","1737.9","0.3","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H36 Cu2 I2 N4 -","- C36 H36 Cu2 I2 N4 -","- C72 H72 Cu4 I4 N8 -","2","0.25","","Hu, Sheng; Zhou, Ai-Ju; Zhang, Yue-Hua; Ding, Shu; Tong, Ming-Liang","1D Tubular Chains and 3D Polycatenane Frameworks Constructed with Cu2X2Dimers (X = Br-, I-, CN-) and Flexible Dipyridyl Spacers","Crystal Growth & Design","2006","6","11","2543","","10.1021/cg060370k","","","0.71073","MoKα","","0.0428","0.0384","","","0.0977","0.1002","","","","","","1.106","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511490","8.0039","0.0005","10.7289","0.0007","11.3359","0.0008","78.363","0.001","87.116","0.001","79.89","0.001","938.52","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 Co N3 O9.28 -","- C15 H21 Co N3 O9.28 -","- C30 H42 Co2 N6 O18.56 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.0308","0.0282","","","0.0767","0.0861","","","","","","1.111","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511491","7.6462","0.0014","9.2014","0.0014","16.206","0.003","94.147","0.005","100.299","0.009","100.984","0.007","1094.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Sm(DMF)2(H2O)3Fe(CN)6.H2O","Sm(DMF)2(H2O)3Fe(CN)6.H2O","","- C12 H22 Fe N8 O6 Sm -","- C12 H18 Fe N8 O6 Sm -","- C24 H36 Fe2 N16 O12 Sm2 -","2","1","","Chen, Wen-Tong; Wang, Ming-Sheng; Cai, Li-Zhen; Xu, Gang; Akitsu, Takashiro; Akita-Tanaka, Motoko; Guo,; Huang, Jin-Shun","An Effective Approach to Layered Structures of Hybrid Prussian Blue Complexes: Monolayered [Sm(DMF)2(H2O)3(μ-CN)3M(CN)3]n·nH2O and Bilayered [Sm(DMF)(H2O)3(μ-CN)4M(CN)2]n·nH2O (M = Fe, Co)","Crystal Growth & Design","2006","6","8","1738","","10.1021/cg060199c","","","0.71073","MoKα","","0.0241","0.0221","","","0.0551","0.0561","","","","","","1.013","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511492","7.601","0.003","9.118","0.003","16.151","0.006","94.084","0.004","100.419","0.002","101.136","0.004","1073.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Sm(DMF)2(H2O)3Co(CN)6×H2O","Sm(DMF)2(H2O)3Co(CN)6×H2O","","- C12 H22 Co N8 O6 Sm -","- C12 H18 Co N8 O6 Sm -","- C24 H36 Co2 N16 O12 Sm2 -","2","1","","Chen, Wen-Tong; Wang, Ming-Sheng; Cai, Li-Zhen; Xu, Gang; Akitsu, Takashiro; Akita-Tanaka, Motoko; Guo,; Huang, Jin-Shun","An Effective Approach to Layered Structures of Hybrid Prussian Blue Complexes: Monolayered [Sm(DMF)2(H2O)3(μ-CN)3M(CN)3]n·nH2O and Bilayered [Sm(DMF)(H2O)3(μ-CN)4M(CN)2]n·nH2O (M = Fe, Co)","Crystal Growth & Design","2006","6","8","1738","","10.1021/cg060199c","","","0.71073","MoKα","","0.0425","0.037","","","0.0837","0.0857","","","","","","0.993","","","","has coordinates","194587","2020-10-21","18:00:00",""
"4511493","7.555","0.003","9.136","0.004","13.022","0.006","78.771","0.011","85.126","0.011","79.362","0.011","865.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Sm(DMF)(H2O)3Fe(CN)6.H2O","Sm(DMF)(H2O)3Fe(CN)6.H2O","","- C9 H15 Fe N7 O5 Sm -","- C9 H11 Fe N7 O5 Sm -","- C18 H22 Fe2 N14 O10 Sm2 -","2","1","","Chen, Wen-Tong; Wang, Ming-Sheng; Cai, Li-Zhen; Xu, Gang; Akitsu, Takashiro; Akita-Tanaka, Motoko; Guo,; Huang, Jin-Shun","An Effective Approach to Layered Structures of Hybrid Prussian Blue Complexes: Monolayered [Sm(DMF)2(H2O)3(μ-CN)3M(CN)3]n·nH2O and Bilayered [Sm(DMF)(H2O)3(μ-CN)4M(CN)2]n·nH2O (M = Fe, Co)","Crystal Growth & Design","2006","6","8","1738","","10.1021/cg060199c","","","0.71073","MoKα","","0.0565","0.0436","","","0.0801","0.0867","","","","","","1.058","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511494","7.5205","0.001","9.0527","0.0012","12.9486","0.0017","78.759","0.002","85.256","0.002","79.314","0.002","848.65","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Sm(DMF)(H2O)3Co(CN)6.H2O","Sm(DMF)(H2O)3Co(CN)6.H2O","","- C9 H15 Co N7 O5 Sm -","- C9 H11 Co N7 O5 Sm -","- C18 H22 Co2 N14 O10 Sm2 -","2","1","","Chen, Wen-Tong; Wang, Ming-Sheng; Cai, Li-Zhen; Xu, Gang; Akitsu, Takashiro; Akita-Tanaka, Motoko; Guo,; Huang, Jin-Shun","An Effective Approach to Layered Structures of Hybrid Prussian Blue Complexes: Monolayered [Sm(DMF)2(H2O)3(μ-CN)3M(CN)3]n·nH2O and Bilayered [Sm(DMF)(H2O)3(μ-CN)4M(CN)2]n·nH2O (M = Fe, Co)","Crystal Growth & Design","2006","6","8","1738","","10.1021/cg060199c","","","0.71073","MoKα","","0.1068","0.0653","","","0.1227","0.1423","","","","","","1.029","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511495","3.8178","0.0008","13.831","0.003","12.05","0.002","90","","91.53","0.03","90","","636.1","0.2","80","2","80","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[3-Br-pyridine]CuCl2","","","- C10 H8 Br2 Cl2 Cu N2 -","- C10 H8 Br2 Cl2 Cu N2 -","- C20 H16 Br4 Cl4 Cu2 N4 -","2","0.5","","Awwadi, Firas F.; Willett, Roger D.; Haddad, Salim F.; Twamley, Brendan","The Electrostatic Nature of Aryl−Bromine−Halide Synthons: The Role of Aryl−Bromine−Halide Synthons in the Crystal Structures of thetrans-Bis(2-bromopyridine)dihalocopper(II) andtrans-Bis(3-bromopyridine)dihalocopper(II) Complexes","Crystal Growth & Design","2006","6","8","1833","","10.1021/cg060154b","","","0.71073","MoKα","","0.0256","0.0229","","","0.0566","0.0576","","","","","","1.075","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511496","16.593","0.003","12.867","0.003","7.4962","0.0015","90","","97.97","0.03","90","","1585","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H19 Ag2 I3 N -","- C8 H19 Ag2 I3 N -","- C32 H76 Ag8 I12 N4 -","4","0.5","","Li, Hao-Hong; Chen, Zhi-Rong; Li, Jun-Qian; Huang, Chang-Cang; Zhang, Yong-Fan; Jia, Gui-Xiao","Role of Spacers and Substituents in the Self-Assembly Process: Syntheses and Characterization of Three Novel Silver(I)/Iodine Polymers","Crystal Growth & Design","2006","6","8","1813","","10.1021/cg060123g","","","0.71073","MoKα","","0.0461","0.0383","","","0.1047","0.1207","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511497","20.2499","0.0007","12.9941","0.0004","28.9782","0.001","90","","90","","90","","7625","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H42 Ag5 I7 N2 -","- C18 H42 Ag5 I7 N2 -","- C144 H336 Ag40 I56 N16 -","8","1","","Li, Hao-Hong; Chen, Zhi-Rong; Li, Jun-Qian; Huang, Chang-Cang; Zhang, Yong-Fan; Jia, Gui-Xiao","Role of Spacers and Substituents in the Self-Assembly Process: Syntheses and Characterization of Three Novel Silver(I)/Iodine Polymers","Crystal Growth & Design","2006","6","8","1813","","10.1021/cg060123g","","","0.71073","MoKα","","0.0806","0.0337","","","0.0729","0.0785","","","","","","0.739","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511498","12.9629","0.0009","13.3347","0.0013","9.8965","0.0008","107.072","0.004","107.205","0.003","67.315","0.005","1476.1","0.2","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H30 Ag4 I6 N2 -","- C12 H30 Ag4 I6 N2 -","- C24 H60 Ag8 I12 N4 -","2","1","","Li, Hao-Hong; Chen, Zhi-Rong; Li, Jun-Qian; Huang, Chang-Cang; Zhang, Yong-Fan; Jia, Gui-Xiao","Role of Spacers and Substituents in the Self-Assembly Process: Syntheses and Characterization of Three Novel Silver(I)/Iodine Polymers","Crystal Growth & Design","2006","6","8","1813","","10.1021/cg060123g","","","0.71073","MoKα","","0.0446","0.0354","","","0.0962","0.1013","","","","","","1.069","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511499","8.377","0.005","13.291","0.008","17.116","0.01","90","","97.93","0.009","90","","1887.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N4 O5 Zn -","- C17 H20 N4 O5 Zn -","- C68 H80 N16 O20 Zn4 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Anion Control of the Self-Assembly of One-Dimensional Molecular Ladders vs Three-Dimensional Cross-like Arrays Based on a Bidentate Schiff Base Ligand","Crystal Growth & Design","2006","6","8","1897","","10.1021/cg060173l","","","0.71073","MoKα","","0.0435","0.0318","","","0.0777","0.0832","","","","","","1.087","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511500","8.3127","0.0017","13.613","0.003","16.817","0.003","90","","98.21","0.03","90","","1883.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Mn2 N8 O10 -","- C34 H40 Mn2 N8 O10 -","- C68 H80 Mn4 N16 O20 -","2","0.5","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Anion Control of the Self-Assembly of One-Dimensional Molecular Ladders vs Three-Dimensional Cross-like Arrays Based on a Bidentate Schiff Base Ligand","Crystal Growth & Design","2006","6","8","1897","","10.1021/cg060173l","","","0.71073","MoKα","","0.1026","0.0732","","","0.1964","0.209","","","","","","1.029","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511501","8.8184","0.0018","12.627","0.003","7.4326","0.0015","90","","90.86","0.03","90","","827.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N6 O8 Zn -","- C12 H14 N6 O8 Zn -","- C24 H28 N12 O16 Zn2 -","2","0.5","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Anion Control of the Self-Assembly of One-Dimensional Molecular Ladders vs Three-Dimensional Cross-like Arrays Based on a Bidentate Schiff Base Ligand","Crystal Growth & Design","2006","6","8","1897","","10.1021/cg060173l","","","0.71073","MoKα","","0.0887","0.0421","","","0.0701","0.0789","","","","","","0.967","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511502","9.085","0.006","12.926","0.009","7.293","0.005","90","","90.147","0.011","90","","856.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cd N6 O8 -","- C12 H10 Cd N6 O8 -","- C24 H20 Cd2 N12 O16 -","2","0.5","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Anion Control of the Self-Assembly of One-Dimensional Molecular Ladders vs Three-Dimensional Cross-like Arrays Based on a Bidentate Schiff Base Ligand","Crystal Growth & Design","2006","6","8","1897","","10.1021/cg060173l","","","0.71073","MoKα","","0.0806","0.0674","","","0.1345","0.1399","","","","","","1.168","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511503","18.567","0.004","9.934","0.002","30.764","0.006","90","","90","","90","","5674","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H55 Cl2 Cu N11 O20 -","- C52 H44 Cl2 Cu N11 O18 -","- C208 H176 Cl8 Cu4 N44 O72 -","4","0.5","","Sarkar, Madhushree; Biradha, Kumar","Interplay of Hydrogen Bonds in Assembling (4,4)-Coordination Networks: Transformations from Open to Interpenetrated Networks via Anion Exchange","Crystal Growth & Design","2006","6","8","1742","","10.1021/cg060216y","","","0.71073","MoKα","","0.1452","0.0839","","","0.1669","0.2002","","","","","","1.042","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511504","17.943","0.003","17.943","0.003","13.252","0.003","90","","90","","120","","3694.9","1.2","293","2","293","2","","","","","","","","6","P 31","P 31","144","","","","- C34 H48 Cl2 Cu N8 O16 -","- C32 H36 Cl2 Cu N8 O16 -","- C96 H108 Cl6 Cu3 N24 O48 -","3","1","","Sarkar, Madhushree; Biradha, Kumar","Interplay of Hydrogen Bonds in Assembling (4,4)-Coordination Networks: Transformations from Open to Interpenetrated Networks via Anion Exchange","Crystal Growth & Design","2006","6","8","1742","","10.1021/cg060216y","","","0.71073","MoKα","","0.094","0.0767","","","0.1895","0.2122","","","","","","1.288","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511505","12.493","0.0018","12.493","0.0018","31.885","0.006","90","","90","","90","","4976.5","1.4","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C32 H40 Cu F12 N8 O6 P2 -","- C32 H36 Cu F6 N8 O6 P -","- C128 H144 Cu4 F24 N32 O24 P4 -","4","0.5","","Sarkar, Madhushree; Biradha, Kumar","Interplay of Hydrogen Bonds in Assembling (4,4)-Coordination Networks: Transformations from Open to Interpenetrated Networks via Anion Exchange","Crystal Growth & Design","2006","6","8","1742","","10.1021/cg060216y","","","0.71073","MoKα","","0.0664","0.0492","","","0.1085","0.1316","","","","","","1.114","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511506","5.499","0.002","15.17","0.006","12.288","0.005","90","","100.222","0.003","90","","1008.8","0.7","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","2","","Yamasaki, Ryu; Tanatani, Aya; Azumaya, Isao; Masu, Hyuma; Yamaguchi, Kentaro; Kagechika, Hiroyuki","Solvent-Dependent Conformational Switching ofN-Phenylhydroxamic Acid and Its Application in Crystal Engineering","Crystal Growth & Design","2006","6","9","2007","","10.1021/cg060151z","","","0.71073","MoKα","","0.0286","0.0285","","","0.0759","0.0763","","","","","","1.041","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511507","7.1139","0.0014","9.9556","0.0011","10.7313","0.0018","90","","108.277","0.007","90","","721.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 Cd I N5 -","- C2 H4 Cd I N5 -","- C8 H16 Cd4 I4 N20 -","4","1","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0384","0.0331","","","0.0887","0.093","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511508","11.472","0.0006","15.0892","0.0008","14.9771","0.001","90","","94.601","0.003","90","","2584.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H64 Cd3 Cl6 N16 -","- C32 H64 Cd3 Cl6 N16 -","- C64 H128 Cd6 Cl12 N32 -","2","0.5","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0433","0.0387","","","0.102","0.1062","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511509","7.6304","0.0006","9.2864","0.0008","9.846","0.0008","90","","100.126","0.003","90","","686.81","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Cl N3 Zn -","- C4 H6 Cl N3 Zn -","- C16 H24 Cl4 N12 Zn4 -","4","1","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0302","0.028","","","0.0731","0.0748","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511510","8.172","","8.8068","0.0001","11.0669","0.0001","67.496","0.009","75.765","0.01","70.771","0.009","688.19","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cd2 Cl4 N10 -","- C24 H18 Cd2 Cl4 N10 -","- C24 H18 Cd2 Cl4 N10 -","1","0.5","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0323","0.0301","","","0.0791","0.0812","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511511","9.089","0.003","9.179","0.003","9.24","0.003","70.89","0.02","71.71","0.02","62.637","0.017","634.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 Cd3 Cl6 N16 -","- C8 H16 Cd3 Cl6 N16 -","- C8 H16 Cd3 Cl6 N16 -","1","0.5","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0263","0.0239","","","0.0614","0.0626","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511512","17.7817","0.0008","9.9732","0.0004","20.6967","0.0009","90","","90","","90","","3670.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H32 Cd3 N34 -","- C16 H32 Cd3 N34 -","- C64 H128 Cd12 N136 -","4","0.5","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0412","0.0384","","","0.0975","0.0998","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511513","9.6258","0.0011","5.7297","0.0005","12.1226","0.0013","90","","100.094","0.006","90","","658.25","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cd N10 S2 -","- C6 H8 Cd N10 S2 -","- C12 H16 Cd2 N20 S4 -","2","0.5","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0325","0.0269","","","0.0634","0.067","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511514","7.5093","0.0011","9.912","0.0013","17.457","0.002","90","","90","","90","","1299.4","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H6 Cl N9 Zn2 -","- C6 H6 Cl N9 Zn2 -","- C24 H24 Cl4 N36 Zn8 -","4","0.5","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0755","0.0595","","","0.1158","0.1247","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511515","13.6919","0.0016","13.6919","0.0016","21.789","0.005","90","","90","","120","","3537.5","1","298","2","298","2","","","","","","","","4","P 65","P 65","170","Methylpyrazine dicarboxylic acid","5-Methyl-pyrazine-2, 3-dicarboxylic acid","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C126 H108 N36 O72 -","18","3","","Babu, N. Jagadeesh; Nangia, Ashwini","MultipleZ‘ in Carboxylic Acid−Pyridine Trimer Synthon and Kagomé Lattice in the Structure of 5-Methylpyrazine-2,3-dicarboxylic Acid","Crystal Growth & Design","2006","6","9","1995","","10.1021/cg060180+","","","0.71073","MoKα","","0.0861","0.073","","","0.1382","0.1428","","","","","","1.313","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511516","13.6937","0.0007","13.6937","0.0007","21.345","0.002","90","","90","","120","","3466.3","0.4","100","2","100","2","","","","","","","","4","P 65","P 65","170","Methylpyrazine dicarboxylic acid","5-Methyl-pyrazine-2, 3-dicarboxylic acid","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C126 H108 N36 O72 -","18","3","","Babu, N. Jagadeesh; Nangia, Ashwini","MultipleZ‘ in Carboxylic Acid−Pyridine Trimer Synthon and Kagomé Lattice in the Structure of 5-Methylpyrazine-2,3-dicarboxylic Acid","Crystal Growth & Design","2006","6","9","1995","","10.1021/cg060180+","","","0.71073","MoKα","","0.0641","0.0513","","","0.095","0.0992","","","","","","1.293","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511517","13.6974","0.0006","13.6974","0.0006","21.3258","0.0017","90","","90","","120","","3465.1","0.3","100","2","100","2","","","","","","","","4","P 65","P 65","170","Methylpyrazine dicarboxylic acid","5-Methyl-pyrazine-2, 3-dicarboxylic acid","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C126 H108 N36 O72 -","18","3","","Babu, N. Jagadeesh; Nangia, Ashwini","MultipleZ‘ in Carboxylic Acid−Pyridine Trimer Synthon and Kagomé Lattice in the Structure of 5-Methylpyrazine-2,3-dicarboxylic Acid","Crystal Growth & Design","2006","6","9","1995","","10.1021/cg060180+","","","0.71073","MoKα","","0.0568","0.0458","","","0.0956","0.1009","","","","","","1.075","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511518","11.6184","0.0009","8.7812","0.0007","19.5406","0.0014","90","","107.604","0.004","90","","1900.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0431","0.0374","","","0.0985","0.1033","","","","","","1.034","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511519","5.959","0.002","28.662","0.01","11.742","0.004","90","","90.291","0.008","90","","2005.5","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.2674","0.095","","","0.1146","0.1496","","","","","","0.757","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511520","11.4535","0.0017","6.0276","0.0009","28.959","0.004","90","","95.913","0.002","90","","1988.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0737","0.0639","","","0.1337","0.1385","","","","","","1.214","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511521","6.03","0.002","11.418","0.004","15.165","0.006","102.599","0.007","96.607","0.007","90.049","0.009","1011.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C46 H44 N4 O8 -","2","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0942","0.0565","","","0.1298","0.1528","","","","","","1.022","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511522","8.5473","0.0018","21.118","0.004","21.555","0.005","90","","99.894","0.004","90","","3832.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 Br2 N2 O4 -","- C42 H36 Br2 N2 O4 -","- C168 H144 Br8 N8 O16 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.1564","0.0894","","","0.2523","0.285","","","","","","0.926","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511523","8.552","0.003","10.137","0.003","12.372","0.004","85.68","0.005","78.101","0.005","87.955","0.005","1046.3","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H23 Cl N O2.5 -","- C23 H23 Cl N O2.5 -","- C46 H46 Cl2 N2 O5 -","2","2","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0434","0.0428","","","0.1229","0.1236","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511524","20.764","0.012","9.877","0.006","9.959","0.006","90","","106.38","0.009","90","","1960","2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0343","0.034","","","0.0823","0.0827","","","","","","1.118","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511525","10.6433","0.0007","17.6587","0.0009","39.085","0.003","90","","90","","90","","7345.9","0.8","296","2","296","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C33 H20 O9 -","- C33 H20 O9 -","- C264 H160 O72 -","8","1","","Clews, Peter K.; Douthwaite, Richard E.; Kariuki, Benson M.; Moore, Terry; Taboada, Miguel","Layered Compounds Incorporating 9,9‘-Spirobifluorene: Hydrogen-Bonded and Metal−Organic Networks Derived from 9,9‘-Spirobifluorene-2,2‘,7,7‘-tetracarboxylic Acid","Crystal Growth & Design","2006","6","9","1991","","10.1021/cg060007d","","","1.54178","CuKα","","0.2683","0.1919","","","0.4323","0.4975","","","","","","1.492","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511526","17.7652","0.0008","13.7052","0.0006","18.1833","0.0009","90","","111.348","0.001","90","","4123.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Co2 N8 O8 -","- C45 H36 Co2 N8 O8 -","- C180 H144 Co8 N32 O32 -","4","1","","Clews, Peter K.; Douthwaite, Richard E.; Kariuki, Benson M.; Moore, Terry; Taboada, Miguel","Layered Compounds Incorporating 9,9‘-Spirobifluorene: Hydrogen-Bonded and Metal−Organic Networks Derived from 9,9‘-Spirobifluorene-2,2‘,7,7‘-tetracarboxylic Acid","Crystal Growth & Design","2006","6","9","1991","","10.1021/cg060007d","","","0.71073","MoKα","","0.0805","0.0524","","","0.14","0.1563","","","","","","1.034","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511527","9.5269","0.0007","6.4027","0.0005","10.5813","0.0008","90","","99.913","0.001","90","","635.8","0.08","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H13 Cl Cu N2 O3 -","- C12 H13 Cl Cu N2 O3 -","- C24 H26 Cl2 Cu2 N4 O6 -","2","0.5","","Das, Sunirban; Maloor, Simi Alathady; Pal, Satyanarayan; Pal, Samudranil","Solvated Square-Planar Ternary Copper(II) Complexes: Solvent-Dependent Zipper and Columnar Structures","Crystal Growth & Design","2006","6","9","2103","","10.1021/cg060305a","","","0.71073","MoKα","","0.0367","0.034","","","0.0824","0.084","","","","","","1.099","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511528","9.5793","0.0008","6.404","0.0005","10.7646","0.0009","90","","100.534","0.001","90","","649.23","0.09","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H13 Br Cu N2 O3 -","- C12 H13 Br Cu N2 O3 -","- C24 H26 Br2 Cu2 N4 O6 -","2","0.5","","Das, Sunirban; Maloor, Simi Alathady; Pal, Satyanarayan; Pal, Samudranil","Solvated Square-Planar Ternary Copper(II) Complexes: Solvent-Dependent Zipper and Columnar Structures","Crystal Growth & Design","2006","6","9","2103","","10.1021/cg060305a","","","0.71073","MoKα","","0.0334","0.0285","","","0.0695","0.0722","","","","","","1.061","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511529","6.9205","0.0017","9.2257","0.0009","10.4996","0.0014","100.529","0.01","97.798","0.017","92.593","0.013","651.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cl Cu N2 O2 -","- C13 H13 Cl Cu N2 O2 -","- C26 H26 Cl2 Cu2 N4 O4 -","2","1","","Das, Sunirban; Maloor, Simi Alathady; Pal, Satyanarayan; Pal, Samudranil","Solvated Square-Planar Ternary Copper(II) Complexes: Solvent-Dependent Zipper and Columnar Structures","Crystal Growth & Design","2006","6","9","2103","","10.1021/cg060305a","","","0.71073","MoKα","","0.0482","0.0315","","","0.0754","0.082","","","","","","1.028","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511530","6.8991","0.0017","9.3473","0.0009","10.6527","0.0015","100.277","0.01","98.699","0.015","91.912","0.013","666.9","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Br Cu N2 O2 -","- C13 H13 Br Cu N2 O2 -","- C26 H26 Br2 Cu2 N4 O4 -","2","1","","Das, Sunirban; Maloor, Simi Alathady; Pal, Satyanarayan; Pal, Samudranil","Solvated Square-Planar Ternary Copper(II) Complexes: Solvent-Dependent Zipper and Columnar Structures","Crystal Growth & Design","2006","6","9","2103","","10.1021/cg060305a","","","0.71073","MoKα","","0.0385","0.0313","","","0.0883","0.1004","","","","","","1.164","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4513391","17.538","","7.6832","","18.881","","90","","107.628","","90","","2424.71","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ba (H N (C H2 P O3 H)3 (H2 O))","","- C3 H7 Ba N O10 P3 -","- C3 H7 Ba N O10 P3 -","- C24 H56 Ba8 N8 O80 P24 -","8","2","","Demadis, K.D.; Katarachia, S.D.; Raptis, R.G.; Zhao, H.; Baran, P.","Alkaline earth metal organotrihosphonates: inorganic-organic polymeric hybrids from dication-dianion association","Crystal Growth and Design","2006","6","","836","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513416","11.089","","21.674","","6.521","","90","","125.44","","90","","1276.9","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","((C H3)2 N H2) (Cd2 Cl5 (H2 O)) (H2 O)","","- C2 H12 Cd2 Cl5 N O2 -","- C2 Cd2 Cl5 N O2 -","- C8 Cd8 Cl20 N4 O8 -","4","1","","Thorn, A.; Twamley, B.; Willett, R.D.","Novel series of ribbon structures in dialkylammonium chlorocadmates obtained by dimensional reduction of the hexagonal Cd Cl2 lattice","Crystal Growth and Design","2006","6","","1134","1142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7006326","13.975","0.003","14.692","0.003","14.367","0.003","90","","94.54","0.03","90","","2940.6","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H83 Eu N10 O20 -","- C50 H83 Eu N10 O20 -","- C100 H166 Eu2 N20 O40 -","2","1","","Paluch, Marta; Lisowski, Jerzy; Lis, Tadeusz","Lanthanide complexes of chiral 3 + 3 macrocycles derived from (1R,2R)-1,2-diaminocyclohexane and 2,6-diformyl-4-methylphenol.","Dalton transactions (Cambridge, England : 2003)","2006","","2","381","388","10.1039/b502863a","","","1.5418","CuKα","","0.0743","0.0676","","","0.1718","0.1834","","","","","","1.014","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006327","14.65","0.004","18.789","0.004","14.803","0.004","90","","92.56","0.03","90","","4070.6","1.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H54 N6 O3 -","- C45 H54 N6 O3 -","- C180 H216 N24 O12 -","4","2","","Paluch, Marta; Lisowski, Jerzy; Lis, Tadeusz","Lanthanide complexes of chiral 3 + 3 macrocycles derived from (1R,2R)-1,2-diaminocyclohexane and 2,6-diformyl-4-methylphenol.","Dalton transactions (Cambridge, England : 2003)","2006","","2","381","388","10.1039/b502863a","","","1.5418","CuKα","","0.096","0.0626","","","0.1305","0.1521","","","","","","0.893","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006328","9.884","0.0004","9.9561","0.0002","22.0449","0.0008","84.169","0.002","85.751","0.002","81.851","0.002","2132.41","0.12","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","((Na(NCAd)(Me3SiNSiMe3))2)","","","- C34 H66 N4 Na2 Si4 -","- C34 H66 N4 Na2 Si4 -","- C68 H132 N8 Na4 Si8 -","2","1","","Avent, Anthony G.; Antolini, Floria; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.","Reactions between a sodium amide Na[N(SiMe3)R1] (R1 = SiMe3, SiMe2Ph or But) and a cyanoalkane RCN (R = Ad or Bu(t)).","Dalton transactions (Cambridge, England : 2003)","2006","","7","919","927","10.1039/b506753g","","x-ray","0.71073","MoKα","","0.0704","0.0553","","","0.148","0.158","","","","","","1.044","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006329","14.4173","0.0005","11.7327","0.0003","22.1248","0.0005","90","","106.847","0.001","90","","3581.88","0.18","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","((Na(N(SiMe3)2)(NCtBu))2)","","","- C22 H54 N4 Na2 Si4 -","- C22 H54 N4 Na2 Si4 -","- C88 H216 N16 Na8 Si16 -","4","1","","Avent, Anthony G.; Antolini, Floria; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.","Reactions between a sodium amide Na[N(SiMe3)R1] (R1 = SiMe3, SiMe2Ph or But) and a cyanoalkane RCN (R = Ad or Bu(t)).","Dalton transactions (Cambridge, England : 2003)","2006","","7","919","927","10.1039/b506753g","","x-ray","0.71073","MoKα","","0.0976","0.0526","","","0.1475","0.1866","","","","","","0.787","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006330","10.3261","0.0007","11.118","0.0012","11.994","0.001","117.513","0.004","92.062","0.005","100.72","0.005","1188.14","0.19","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","((Na(AdCN)(N(SiMe3)(SiMe2Ph)))2)","","","- C44 H70 N4 Na2 Si4 -","- C44 H70 N4 Na2 Si4 -","- C44 H70 N4 Na2 Si4 -","1","0.5","","Avent, Anthony G.; Antolini, Floria; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.","Reactions between a sodium amide Na[N(SiMe3)R1] (R1 = SiMe3, SiMe2Ph or But) and a cyanoalkane RCN (R = Ad or Bu(t)).","Dalton transactions (Cambridge, England : 2003)","2006","","7","919","927","10.1039/b506753g","","x-ray","0.71073","MoKα","","0.095","0.0741","","","0.1934","0.2046","","","","","","1.155","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006331","10.9961","0.0003","10.9755","0.0002","17.7283","0.0005","90","","105.666","0.001","90","","2060.11","0.09","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","((Na(tBuCN)(Me3SiNSiMe2Ph))2)","","","- C32 H58 N4 Na2 Si4 -","- C32 H58 N4 Na2 Si4 -","- C64 H116 N8 Na4 Si8 -","2","0.5","","Avent, Anthony G.; Antolini, Floria; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.","Reactions between a sodium amide Na[N(SiMe3)R1] (R1 = SiMe3, SiMe2Ph or But) and a cyanoalkane RCN (R = Ad or Bu(t)).","Dalton transactions (Cambridge, England : 2003)","2006","","7","919","927","10.1039/b506753g","","x-ray","0.71073","MoKα","","0.0521","0.0395","","","0.1011","0.1095","","","","","","1.028","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006332","8.6622","0.0002","12.3995","0.0003","15.4351","0.0004","78.751","0.002","80.164","0.001","86.661","0.001","1601.55","0.07","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C21 H54 N3 Na3 Si3 -","- C21 H54 N3 Na3 Si3 -","- C42 H108 N6 Na6 Si6 -","2","1","","Avent, Anthony G.; Antolini, Floria; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.","Reactions between a sodium amide Na[N(SiMe3)R1] (R1 = SiMe3, SiMe2Ph or But) and a cyanoalkane RCN (R = Ad or Bu(t)).","Dalton transactions (Cambridge, England : 2003)","2006","","7","919","927","10.1039/b506753g","","x-ray","0.71073","MoKα","","0.0611","0.049","","","0.1345","0.1428","","","","","","1.027","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006333","15.9031","0.0002","15.9031","0.0002","23.5014","0.0004","90","","90","","120","","5147.4","0.13","173","2","173","2","","","","","","","synthesis as described","4","P -3 1 c","-P 3 2c","163","((NaC(Ph)(adamantane))6).2(C6H6)","","","- C114 H132 N6 Na6 -","- C114 H132 N6 Na6 -","- C228 H264 N12 Na12 -","2","0.166667","","Avent, Anthony G.; Antolini, Floria; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.","Reactions between a sodium amide Na[N(SiMe3)R1] (R1 = SiMe3, SiMe2Ph or But) and a cyanoalkane RCN (R = Ad or Bu(t)).","Dalton transactions (Cambridge, England : 2003)","2006","","7","919","927","10.1039/b506753g","","x-ray","0.71073","MoKα","","0.0881","0.0791","","","0.2514","0.2604","","","","","","1.152","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006334","11.1936","0.0002","11.7449","0.0002","39.5782","0.0005","90","","92.796","0.001","90","","5197.06","0.14","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H81 N6 Na3 Si3 -","- C36 H81 N6 Na3 Si3 -","- C144 H324 N24 Na12 Si12 -","4","1","","Avent, Anthony G.; Antolini, Floria; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.","Reactions between a sodium amide Na[N(SiMe3)R1] (R1 = SiMe3, SiMe2Ph or But) and a cyanoalkane RCN (R = Ad or Bu(t)).","Dalton transactions (Cambridge, England : 2003)","2006","","7","919","927","10.1039/b506753g","","x-ray","0.71073","MoKα","","0.1112","0.0895","","","0.2381","0.2552","","","","","","1.065","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006335","12.7259","0.0003","16.818","0.0005","20.6515","0.0006","105.254","0.002","98.168","0.002","100.003","0.002","4116.5","0.2","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","(((AdCN)Li(ME3SiNSiMe3))2)","","","- C34 H66 Li2 N4 Si4 -","- C34 H66 Li2 N4 Si4 -","- C136 H264 Li8 N16 Si16 -","4","2","","Avent, Anthony G.; Antolini, Floria; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.","Reactions between a sodium amide Na[N(SiMe3)R1] (R1 = SiMe3, SiMe2Ph or But) and a cyanoalkane RCN (R = Ad or Bu(t)).","Dalton transactions (Cambridge, England : 2003)","2006","","7","919","927","10.1039/b506753g","","x-ray","0.71073","MoKα","","0.0825","0.0506","","","0.1142","0.13","","","","","","1.016","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006336","11.8309","0.0005","12.2435","0.0005","12.884","0.0006","99.552","0.002","106.08","0.002","108.896","0.002","1628.15","0.13","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C66 H84 N6 Na6 -","- C66 H84 N6 Na6 -","- C66 H84 N6 Na6 -","1","0.5","","Avent, Anthony G.; Antolini, Floria; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.","Reactions between a sodium amide Na[N(SiMe3)R1] (R1 = SiMe3, SiMe2Ph or But) and a cyanoalkane RCN (R = Ad or Bu(t)).","Dalton transactions (Cambridge, England : 2003)","2006","","7","919","927","10.1039/b506753g","","x-ray","0.71073","MoKα","","0.0582","0.0459","","","0.1187","0.1267","","","","","","1.048","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006337","17.3944","0.0017","14.6134","0.0014","11.9982","0.0012","90","","90","","90","","3049.8","0.5","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","02080","","","- C25 H48 Cl2 N4 O3 Zn2 -","- C25 H48 Cl2 N4 O3 Zn2 -","- C100 H192 Cl8 N16 O12 Zn8 -","4","1","","Breyfogle, Laurie E.; Williams, Charlotte K.; Young, Jr, Victor G; Hillmyer, Marc A.; Tolman, William B.","Comparison of structurally analogous Zn2, Co2, and Mg2 catalysts for the polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2006","","7","928","936","10.1039/b507014g","","","0.71073","MoKα","","0.0552","0.0437","","","0.1212","0.1269","","","","","","1.049","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006338","14.0961","0.0015","11.4544","0.0014","16.2755","0.0015","90","","106.145","0.005","90","","2524.2","0.5","100","2","100","1","","","","","","","Laurie E. Breyfogle","6","P 1 21/n 1","-P 2yn","14","CMC077A","LCo2Cl3OEt","","- C21 H40 Cl2 Co2 N4 O2 -","- C21 H40 Cl2 Co2 N4 O2 -","- C84 H160 Cl8 Co8 N16 O8 -","4","1","","Breyfogle, Laurie E.; Williams, Charlotte K.; Young, Jr, Victor G; Hillmyer, Marc A.; Tolman, William B.","Comparison of structurally analogous Zn2, Co2, and Mg2 catalysts for the polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2006","","7","928","936","10.1039/b507014g","","","0.55","synchrotron","","0.029","0.0262","","","0.0654","0.0668","","","","","","1.015","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006339","20.544","0.002","10.6347","0.0014","15.894","0.003","90","","109.778","0.002","90","","3267.7","0.8","173","2","173","2","","","","","","","Laurie E. Breyfogle","6","P 1 21/c 1","-P 2ybc","14","03196","LMg2Cl2OEt","","- C24 H48 Cl4 Mg2 N4 O3 -","- C24 H48 Cl4 Mg2 N4 O3 -","- C96 H192 Cl16 Mg8 N16 O12 -","4","1","","Breyfogle, Laurie E.; Williams, Charlotte K.; Young, Jr, Victor G; Hillmyer, Marc A.; Tolman, William B.","Comparison of structurally analogous Zn2, Co2, and Mg2 catalysts for the polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2006","","7","928","936","10.1039/b507014g","","","0.71073","MoKα","","0.0744","0.0498","","","0.1229","0.1397","","","","","","1.043","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006340","17.254","0.002","15.0382","0.0018","11.4742","0.0014","90","","90","","90","","2977.2","0.6","173","2","173","2","","","","","","","Charlotte K. Williams","6","P c a 21","P 2c -2ac","29","02008","LZn2Cl3","","- C23 H43 Cl3 N4 O2 Zn2 -","- C23 H43 Cl3 N4 O2 Zn2 -","- C92 H172 Cl12 N16 O8 Zn8 -","4","1","","Breyfogle, Laurie E.; Williams, Charlotte K.; Young, Jr, Victor G; Hillmyer, Marc A.; Tolman, William B.","Comparison of structurally analogous Zn2, Co2, and Mg2 catalysts for the polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2006","","7","928","936","10.1039/b507014g","","","0.71073","MoKα","","0.0662","0.0447","","","0.1029","0.115","","","","","","1.039","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006341","20.9474","0.0004","8.1081","0.0002","13.7728","0.0003","90","","90","","90","","2339.22","0.09","150","1","150","1","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C17 H21 Cl2 Cu N6 O10 -","- C17 H21 Cl2 Cu N6 O10 -","- C68 H84 Cl8 Cu4 N24 O40 -","4","0.5","","Ismayilov, Rayyat H.; Wang, Wen-Zhen; Lee, Gene-Hsiang; Peng, Shie-Ming","One-, two- and three-dimensional Cu(II) complexes built via new oligopyrazinediamine ligands: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2006","","3","478","491","10.1039/b507485a","","","0.71073","MoKα","","0.0739","0.0492","","","0.129","0.1438","","","","","","1.022","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006342","13.7508","0.0003","8.015","0.0002","19.3724","0.0006","90","","90","","90","","2135.08","0.1","150","1","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H18 Cl2 Cu N8 O12 -","- C12 H18 Cl2 Cu N8 O12 -","- C48 H72 Cl8 Cu4 N32 O48 -","4","1","","Ismayilov, Rayyat H.; Wang, Wen-Zhen; Lee, Gene-Hsiang; Peng, Shie-Ming","One-, two- and three-dimensional Cu(II) complexes built via new oligopyrazinediamine ligands: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2006","","3","478","491","10.1039/b507485a","","","0.71073","MoKα","","0.0741","0.0511","","","0.1211","0.1458","","","","","","1.101","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006343","14.5271","0.0002","14.3046","0.0002","23.1894","0.0003","90","","107.242","0.0004","90","","4602.31","0.11","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Cl4 Cu2 N14 O22 -","- C27 H36.04 Cl4 Cu2 N14 O22.01 -","- C108 H144.16 Cl16 Cu8 N56 O88.04 -","4","1","","Ismayilov, Rayyat H.; Wang, Wen-Zhen; Lee, Gene-Hsiang; Peng, Shie-Ming","One-, two- and three-dimensional Cu(II) complexes built via new oligopyrazinediamine ligands: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2006","","3","478","491","10.1039/b507485a","","","0.71073","MoKα","","0.1234","0.0918","","","0.2453","0.2728","","","","","","1.186","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006344","11.0763","0.0002","11.0763","0.0002","27.4307","0.0005","90","","90","","90","","3365.32","0.11","150","1","150","1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C12 H32 Cl4 Cu N8 Ni O28 -","- C12 H32 Cl4 Cu N8 Ni O28 -","- C48 H128 Cl16 Cu4 N32 Ni4 O112 -","4","0.5","","Ismayilov, Rayyat H.; Wang, Wen-Zhen; Lee, Gene-Hsiang; Peng, Shie-Ming","One-, two- and three-dimensional Cu(II) complexes built via new oligopyrazinediamine ligands: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2006","","3","478","491","10.1039/b507485a","","","0.71073","MoKα","","0.0603","0.0444","","","0.1121","0.1201","","","","","","1.014","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006345","10.6949","0.0004","18.1913","0.0007","21.1585","0.0008","90","","90","","90","","4116.5","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cl2 Cu N6 O10 -","- C14 H16 Cl2 Cu N6 O10 -","- C112 H128 Cl16 Cu8 N48 O80 -","8","1","","Ismayilov, Rayyat H.; Wang, Wen-Zhen; Lee, Gene-Hsiang; Peng, Shie-Ming","One-, two- and three-dimensional Cu(II) complexes built via new oligopyrazinediamine ligands: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2006","","3","478","491","10.1039/b507485a","","","0.71073","MoKα","","0.0459","0.0364","","","0.0851","0.0898","","","","","","1.054","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006346","13.663","0.0002","8.2483","0.0001","19.875","0.0003","90","","90","","90","","2239.84","0.05","150","1","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H20 Cl2 Cu N6 O11 -","- C15 H20 Cl2 Cu N6 O11 -","- C60 H80 Cl8 Cu4 N24 O44 -","4","1","","Ismayilov, Rayyat H.; Wang, Wen-Zhen; Lee, Gene-Hsiang; Peng, Shie-Ming","One-, two- and three-dimensional Cu(II) complexes built via new oligopyrazinediamine ligands: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2006","","3","478","491","10.1039/b507485a","","","0.71073","MoKα","","0.0568","0.042","","","0.0991","0.1154","","","","","","1.081","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006347","8.2348","0.0001","27.2322","0.0004","20.547","0.0003","90","","94.5252","0.0005","90","","4593.34","0.11","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl4 Cu2 N16 O22 -","- C28 H40 Cl4 Cu2 N16 O22 -","- C112 H160 Cl16 Cu8 N64 O88 -","4","1","","Ismayilov, Rayyat H.; Wang, Wen-Zhen; Lee, Gene-Hsiang; Peng, Shie-Ming","One-, two- and three-dimensional Cu(II) complexes built via new oligopyrazinediamine ligands: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2006","","3","478","491","10.1039/b507485a","","","0.71073","MoKα","","0.091","0.057","","","0.1522","0.1838","","","","","","1.107","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006348","5.624","0.004","17.691","0.011","11.076","0.007","90","","103.621","0.008","90","","1071","1.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cu2 N6 O2 S4 -","- C16 H14 Cu2 N6 O2 S4 -","- C32 H28 Cu4 N12 O4 S8 -","2","0.5","","Shi, Jing-Min; Sun, You-Min; Liu, Zhe; Liu, Lian-Dong; Shi, Wei; Cheng, Peng","Synthesis, crystal structure, magnetic properties and theoretical studies on a one-dimensional polynuclear copper(II) complex [Cu2(mu1,3-SCN)2(mu'1,3-SCN)2(MPyO)2]n.","Dalton transactions (Cambridge, England : 2003)","2006","","2","376","380","10.1039/b507723k","","","0.71073","MoKα","","0.0606","0.0464","","","0.0959","0.1022","","","","","","1.035","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7006349","14.9142","0.0004","14.9142","0.0004","44.202","0.002","90","","90","","120","","8514.8","0.5","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C96 H116 Cl Gd N12 O24 P6 -","- C96 H116 Cl1.02 Gd N12.02 O24.06 P6 -","- C288 H348 Cl3.06 Gd3 N36.06 O72.18 P18 -","3","0.166667","","Kovacs, Michael S.; Monga, Vishakha; Patrick, Brian O.; Orvig, Chris","Lanthanide(III) and group 13 metal ion complexes of tripodal amino phosphinate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","31","38","10.1039/b507905e","","","0.71069","MoKα","","0.0346","0.0336","","","0.0927","0.0934","","","","","","1.083","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006350","23.98","0.0007","23.98","0.0007","32.5706","0.0009","90","","90","","120","","16220.1","0.8","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C96 H114 Ga N8 O12 P6 -","- C96 H114 Ga N8 O12 P6 -","- C576 H684 Ga6 N48 O72 P36 -","6","0.166667","","Kovacs, Michael S.; Monga, Vishakha; Patrick, Brian O.; Orvig, Chris","Lanthanide(III) and group 13 metal ion complexes of tripodal amino phosphinate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","31","38","10.1039/b507905e","","","0.71073","MoKα","","0.0605","0.0455","","","0.126","0.1341","","","","","","1.075","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006351","8.786","0.006","9.362","0.006","19.669","0.015","80.087","0.016","88.99","0.02","80.506","0.019","1571.8","1.9","223","2","","","","","","","","","","8","P -1","-P 1","2","","","","- C62 H40 Cl4 Cu F12 N4 O8 S2 -","- C62 H40 Cl4 Cu F12 N4 O8 S2 -","- C62 H40 Cl4 Cu F12 N4 O8 S2 -","1","0.5","","Miura, Yozo; Kato, Ikumi; Teki, Yoshio","Syntheses and magnetic properties of Cu(II)(hfac)2 and Mn(II)(hfac)2 complexes of 4-pyridyl-substituted thioaminyl radicals.","Dalton transactions (Cambridge, England : 2003)","2006","","7","961","966","10.1039/b508014b","","","0.7107","MoKα","","0.1295","0.0998","","","0.1636","0.1778","","","","","","1.186","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006352","19.95","0.002","6.1","0.0004","29.27","0.003","90","","111.16","0.004","90","","3321.8","0.5","223.2","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H38 Cl6 F12 Mn N4 O4 S2 -","- C68 H38 Cl6 F12 Mn N4 O4 S2 -","- C136 H76 Cl12 F24 Mn2 N8 O8 S4 -","2","0.5","","Miura, Yozo; Kato, Ikumi; Teki, Yoshio","Syntheses and magnetic properties of Cu(II)(hfac)2 and Mn(II)(hfac)2 complexes of 4-pyridyl-substituted thioaminyl radicals.","Dalton transactions (Cambridge, England : 2003)","2006","","7","961","966","10.1039/b508014b","","","0.7107","MoKα","","","0.0539","","","","0.1202","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006353","12.537","0.003","9.7307","0.0019","13.62","0.003","90","","90","","90","","1661.6","0.6","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl2 Co N4 O2 -","- C16 H16 Cl2 Co N4 O2 -","- C64 H64 Cl8 Co4 N16 O8 -","4","0.5","","Xu, Hong; Song, Yinglin; Mi, Liwei; Hou, Hongwei; Tang, Mingsheng; Sang, Yali; Fan, Yaoting; Pan, Yan","Coordination frameworks constructed from bipyridyl piperazine and MCl2 (M = Co, Ni, Zn): structural characterization and optical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","6","838","845","10.1039/b508177g","","","0.71073","MoKα","","0.0547","0.0371","","","0.0398","0.0408","","","","","","1.66","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006354","9.6448","0.0019","11.203","0.002","8.7152","0.0017","104.11","0.03","91.67","0.03","72.79","0.03","871.4","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 Cl2 N8 Ni O7 -","- C32 H36 Cl2 N8 Ni O7 -","- C32 H36 Cl2 N8 Ni O7 -","1","0.5","","Xu, Hong; Song, Yinglin; Mi, Liwei; Hou, Hongwei; Tang, Mingsheng; Sang, Yali; Fan, Yaoting; Pan, Yan","Coordination frameworks constructed from bipyridyl piperazine and MCl2 (M = Co, Ni, Zn): structural characterization and optical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","6","838","845","10.1039/b508177g","","","0.71073","MoKα","","0.0632","0.0564","","","0.1464","0.1517","","","","","","0.862","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006355","23.925","0.005","6.3403","0.0013","12.061","0.002","90","","106.62","0.03","90","","1753.1","0.7","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cl2 N4 O2 Zn -","- C16 H16 Cl2 N4 O2 Zn -","- C64 H64 Cl8 N16 O8 Zn4 -","4","0.5","","Xu, Hong; Song, Yinglin; Mi, Liwei; Hou, Hongwei; Tang, Mingsheng; Sang, Yali; Fan, Yaoting; Pan, Yan","Coordination frameworks constructed from bipyridyl piperazine and MCl2 (M = Co, Ni, Zn): structural characterization and optical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","6","838","845","10.1039/b508177g","","","0.71073","MoKα","","0.0394","0.03","","","0.0634","0.0654","","","","","","1.064","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006356","12.233","0.004","7.277","0.002","22.578","0.007","90","","90","","90","","2009.9","1.1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H12 Cd N14 -","- C18 H12 Cd N14 -","- C72 H48 Cd4 N56 -","4","0.5","","Ding, Bin; Yi, Long; Wang, Ying; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping; Jiang, Zong-Hui; Song, Hai-Bin; Wang, Hong-Gen","Synthesis of a series of 4-pyridyl-1,2,4-triazole-containing cadmium(II) luminescent complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","665","675","10.1039/b508332j","","","0.71073","MoKα","","0.043","0.028","","","0.063","0.0683","","","","","","1.126","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006357","5.8103","0.0009","8.3849","0.0013","10.2837","0.0016","84.804","0.002","81.042","0.002","87.07","0.002","492.52","0.13","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cd N10 S2 -","- C16 H12 Cd N10 S2 -","- C16 H12 Cd N10 S2 -","1","0.5","","Ding, Bin; Yi, Long; Wang, Ying; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping; Jiang, Zong-Hui; Song, Hai-Bin; Wang, Hong-Gen","Synthesis of a series of 4-pyridyl-1,2,4-triazole-containing cadmium(II) luminescent complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","665","675","10.1039/b508332j","","","0.71073","MoKα","","0.0495","0.0451","","","0.112","0.117","","","","","","1.096","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006358","11.642","0.006","12.611","0.006","19.317","0.009","92.038","0.007","105.963","0.006","116.004","0.007","2410","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33.5 Cd2 N24 O15.75 -","- C35 H30 Cd2 N24 O15.75 -","- C70 H60 Cd4 N48 O31.5 -","2","1","","Ding, Bin; Yi, Long; Wang, Ying; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping; Jiang, Zong-Hui; Song, Hai-Bin; Wang, Hong-Gen","Synthesis of a series of 4-pyridyl-1,2,4-triazole-containing cadmium(II) luminescent complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","665","675","10.1039/b508332j","","","0.71073","MoKα","","0.0548","0.0358","","","0.0885","0.0973","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006359","5.4376","0.0015","18.426","0.005","5.5827","0.0016","90","","104.483","0.004","90","","541.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H8 Cd N4 O5 S -","- C7 H8 Cd N4 O5 S -","- C14 H16 Cd2 N8 O10 S2 -","2","1","","Ding, Bin; Yi, Long; Wang, Ying; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping; Jiang, Zong-Hui; Song, Hai-Bin; Wang, Hong-Gen","Synthesis of a series of 4-pyridyl-1,2,4-triazole-containing cadmium(II) luminescent complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","665","675","10.1039/b508332j","","","0.71073","MoKα","","0.0194","0.0189","","","0.0482","0.0485","","","","","","1.069","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006360","9.747","0.001","7.4296","0.0008","14.2432","0.0015","90","","94.191","0.001","90","","1028.68","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cd2 N28 -","- C36 H24 Cd2 N28 -","- C36 H24 Cd2 N28 -","1","0.25","","Ding, Bin; Yi, Long; Wang, Ying; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping; Jiang, Zong-Hui; Song, Hai-Bin; Wang, Hong-Gen","Synthesis of a series of 4-pyridyl-1,2,4-triazole-containing cadmium(II) luminescent complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","665","675","10.1039/b508332j","","","0.71073","MoKα","","0.0244","0.0189","","","0.0533","0.0554","","","","","","1.05","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006361","9.929","0.0017","10.0981","0.0018","10.9452","0.0019","87.578","0.003","74.968","0.002","85.958","0.003","1056.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cd N8 O2 S2 -","- C18 H16 Cd N8 O2 S2 -","- C36 H32 Cd2 N16 O4 S4 -","2","1","","Ding, Bin; Yi, Long; Wang, Ying; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping; Jiang, Zong-Hui; Song, Hai-Bin; Wang, Hong-Gen","Synthesis of a series of 4-pyridyl-1,2,4-triazole-containing cadmium(II) luminescent complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","665","675","10.1039/b508332j","","","0.71073","MoKα","","0.0462","0.0358","","","0.0933","0.103","","","","","","1.066","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006362","7.7347","0.001","13.7682","0.0017","14.1403","0.0018","111.18","0.001","93.1","0.002","96.835","0.002","1386.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cd2 N20 O0.5 -","- C22 H12 Cd2 N20 O0.5 -","- C44 H24 Cd4 N40 O -","2","1","","Ding, Bin; Yi, Long; Wang, Ying; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping; Jiang, Zong-Hui; Song, Hai-Bin; Wang, Hong-Gen","Synthesis of a series of 4-pyridyl-1,2,4-triazole-containing cadmium(II) luminescent complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","665","675","10.1039/b508332j","","","0.71073","MoKα","","0.0251","0.0213","","","0.0542","0.0554","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006363","10.0283","0.0004","12.3379","0.0004","18.9578","0.0006","103.19","0.01","93.48","0.01","104.25","0.01","2196.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H53 Cr2 N10 O5 P -","- C40 H53 Cr2 N10 O5 P -","- C80 H106 Cr4 N20 O10 P2 -","2","1","","Alborés, Pablo; Slep, Leonardo D.; Weyhermüller, Thomas; Rentschler, Eva; Baraldo, Luis M.","Exchange coupling across the cyanide bridge: structural and DFT interpretation of the magnetic properties of a binuclear chromium(III) complex.","Dalton transactions (Cambridge, England : 2003)","2006","","7","948","954","10.1039/b508386a","","","0.71073","MoKα","","0.068","0.0449","","","0.1016","0.1124","","","","","","1.04","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006364","15.1811","0.0006","20.317","0.0008","21.2304","0.0008","90","","100.78","0.01","90","","6432.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H64 Cr N6 O2 P3 -","- C78 H64 Cr N6 O2 P3 -","- C312 H256 Cr4 N24 O8 P12 -","4","1","","Alborés, Pablo; Slep, Leonardo D.; Weyhermüller, Thomas; Rentschler, Eva; Baraldo, Luis M.","Exchange coupling across the cyanide bridge: structural and DFT interpretation of the magnetic properties of a binuclear chromium(III) complex.","Dalton transactions (Cambridge, England : 2003)","2006","","7","948","954","10.1039/b508386a","","","0.71073","MoKα","","0.0463","0.0381","","","0.0852","0.0892","","","","","","1.043","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006365","8.577","0.002","15.228","0.003","23.913","0.005","90","","90","","90","","3123.3","1.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Bis(Pyridine-2-thiolato)-bis(diphenylphosphinomethane)- platinum(ii)","Bis(Pyridine-2-thiolato)-bis(diphenylphosphinomethane)-platinum(ii)","","- C35 H30 N2 P2 Pt S2 -","- C35 H30 N2 P2 Pt S2 -","- C140 H120 N8 P8 Pt4 S8 -","4","1","","Mendía, Aránzazu; Cerrada, Elena; Arnáiz, Francisco J; Laguna, Mariano","Pyridine-2-thionate as a versatile ligand in Pd(II) and Pt(II) chemistry: the presence of three different co-ordination modes in [Pd2(micro2-S,N-C5H4SN)(micro2-kappa2S-C5H4SN)(micro2-dppm)(S-C5H4SN)2].","Dalton transactions (Cambridge, England : 2003)","2006","","4","609","616","10.1039/b508438e","","","0.71073","MoKα","","0.0308","0.0277","","","0.0632","0.0647","","","","","","1.03","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006366","20.508","0.004","9.0092","0.0018","25.545","0.005","90","","112.66","0.03","90","","4355.4","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis-(pyridine-2-thiolato)-(mu!2$-pyridine-2-thiolato-N,S)- (mu!2$-pyridine-2-thiolato-S,S)-(mu!2$-bis(diphenylphosphino)-methane)- di-palladium(ii)","","","- C45 H38 N4 P2 Pd2 S4 -","- C45 H38 N4 P2 Pd2 S4 -","- C180 H152 N16 P8 Pd8 S16 -","4","1","","Mendía, Aránzazu; Cerrada, Elena; Arnáiz, Francisco J; Laguna, Mariano","Pyridine-2-thionate as a versatile ligand in Pd(II) and Pt(II) chemistry: the presence of three different co-ordination modes in [Pd2(micro2-S,N-C5H4SN)(micro2-kappa2S-C5H4SN)(micro2-dppm)(S-C5H4SN)2].","Dalton transactions (Cambridge, England : 2003)","2006","","4","609","616","10.1039/b508438e","","","0.71073","MoKα","","0.0966","0.0443","","","0.0795","0.0933","","","","","","1.011","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006367","17.593","0.004","16.091","0.003","32.38","0.007","90","","93.58","0.03","90","","9149","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Tris-(mu!2$-pyridine-2-thiolato-N,S)-(mu!2$- bis(diphenylphosphino) -methane)-di-palladium(ii)-chloride dichloromethane water solvate","Tris-(mu!2$-pyridine-2-thiolato-N,S)-(mu!2$-bis(diphenylphosphino) -methane)-di-palladium(ii)-chloride dichloromethane water solvate","","- C41 H38 Cl3 N3 O P2 Pd2 S3 -","- C41 H38 Cl3 N3 O P2 Pd2 S3 -","- C328 H304 Cl24 N24 O8 P16 Pd16 S24 -","8","1","","Mendía, Aránzazu; Cerrada, Elena; Arnáiz, Francisco J; Laguna, Mariano","Pyridine-2-thionate as a versatile ligand in Pd(II) and Pt(II) chemistry: the presence of three different co-ordination modes in [Pd2(micro2-S,N-C5H4SN)(micro2-kappa2S-C5H4SN)(micro2-dppm)(S-C5H4SN)2].","Dalton transactions (Cambridge, England : 2003)","2006","","4","609","616","10.1039/b508438e","","","0.71073","MoKα","","0.0633","0.0515","","","0.1532","0.1607","","","","","","1.07","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006368","8.8507","0.0018","12.027","0.002","15.874","0.003","90","","102.75","0.03","90","","1648.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N2 P2 Pt S2 -","- C36 H34 N2 P2 Pt S2 -","- C72 H68 N4 P4 Pt2 S4 -","2","0.5","","Mendía, Aránzazu; Cerrada, Elena; Arnáiz, Francisco J; Laguna, Mariano","Pyridine-2-thionate as a versatile ligand in Pd(II) and Pt(II) chemistry: the presence of three different co-ordination modes in [Pd2(micro2-S,N-C5H4SN)(micro2-kappa2S-C5H4SN)(micro2-dppm)(S-C5H4SN)2].","Dalton transactions (Cambridge, England : 2003)","2006","","4","609","616","10.1039/b508438e","","","0.71073","MoKα","","0.0538","0.0264","","","0.0447","0.0494","","","","","","0.933","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006369","15.966","0.001","10.407","0.001","14.099","0.001","90","","105.26","0.001","90","","2260.1","0.3","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C50 H66 O P2 -","- C50 H66 O P2 -","- C100 H132 O2 P4 -","2","0.5","","Deschamps, Eliane; Deschamps, Bernard; Laure Dormieux, Jeanne; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","4,6-bis(supermesitylphosphanylidenemethyl)dibenzofuran. Synthesis, X-ray structure and reactivity towards group 11 metals.","Dalton transactions (Cambridge, England : 2003)","2006","","4","594","602","10.1039/b508678g","","","0.71069","MoKα","","0.0394","0.0349","","","0.0895","0.0924","","","","","","1.056","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006370","11.647","0.001","16.895","0.001","27.329","0.001","90","","90","","90","","5377.7","0.6","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H76 Au B F4 O2 P2 -","- C54 H76 Au B F4 O2 P2 -","- C216 H304 Au4 B4 F16 O8 P8 -","4","1","","Deschamps, Eliane; Deschamps, Bernard; Laure Dormieux, Jeanne; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","4,6-bis(supermesitylphosphanylidenemethyl)dibenzofuran. Synthesis, X-ray structure and reactivity towards group 11 metals.","Dalton transactions (Cambridge, England : 2003)","2006","","4","594","602","10.1039/b508678g","","","0.71069","MoKα","","0.0452","0.034","","","0.067","0.0701","","","","","","0.996","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006371","35.058","0.003","11.084","0.001","30.013","0.003","90","","116.7","0.002","90","","10419","1.7","150","0.1","150","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C51 H68 Ag B Cl2 F4 O2 P2 -","- C50 H66 Ag B F4 O2 P2 -","- C400 H528 Ag8 B8 F32 O16 P16 -","8","1","","Deschamps, Eliane; Deschamps, Bernard; Laure Dormieux, Jeanne; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","4,6-bis(supermesitylphosphanylidenemethyl)dibenzofuran. Synthesis, X-ray structure and reactivity towards group 11 metals.","Dalton transactions (Cambridge, England : 2003)","2006","","4","594","602","10.1039/b508678g","","","0.71069","MoKα","","0.0869","0.0724","","","0.2147","0.2282","","","","","","1.086","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006372","11.931","0.001","14.527","0.001","19.169","0.001","107.92","0.001","92.03","0.001","109.71","0.001","2939.9","0.4","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C54 H71 B Cl6 Cu F4 N O P2 -","- C54 H71 B Cl6 Cu F4 N O P2 -","- C108 H142 B2 Cl12 Cu2 F8 N2 O2 P4 -","2","1","","Deschamps, Eliane; Deschamps, Bernard; Laure Dormieux, Jeanne; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","4,6-bis(supermesitylphosphanylidenemethyl)dibenzofuran. Synthesis, X-ray structure and reactivity towards group 11 metals.","Dalton transactions (Cambridge, England : 2003)","2006","","4","594","602","10.1039/b508678g","","","0.71069","MoKα","","0.082","0.0628","","","0.1618","0.1806","","","","","","1.069","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006373","12.19","0.004","15.418","0.003","28.509","0.006","90","","98.726","0.003","90","","5296","2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Co(Me4cyclam)(trop))PF6","","","- C42 H74 Co2 F12 N8 O4 P2 -","- C42 H42 Co2 F12 N8 O4 P2 -","- C168 H168 Co8 F48 N32 O16 P8 -","4","1","","Bencini, Alessandro; Beni, Alessandra; Costantino, Ferdinando; Dei, Andrea; Gatteschi, Dante; Sorace, Lorenzo","The influence of ligand field effects on the magnetic exchange of high-spin Co(II)-semiquinonate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","722","729","10.1039/b508769d","","","0.71069","MoKα","","0.1142","0.0791","","","0.2165","0.2429","","","","","","1.066","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006374","13.699","0.014","20.905","0.023","22.741","0.025","90","","90","","90","","6513","12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 Mo12 N12 O51 P -","- C21 H27 Mo12 N12 O51 P -","- C84 H108 Mo48 N48 O204 P4 -","4","1","","Gamelas, J. A. F.; Santos, F. M.; Felix, V.; Cavaleiro, A. M. V.; de Matos Gomes, E.; Belsley, M.; Drew, M. G. B.","Novel charge transfer supramolecular assemblies with Keggin anions and 2-amino-5-nitropyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1197","1203","10.1039/b508986g","","","0.71073","MoKα","","0.0637","0.0573","","","0.1784","0.1868","","","","","","0.897","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006375","10.2914","0.0016","30.116","0.005","6.6628","0.0011","90","","101.862","0.003","90","","2020.9","0.6","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H16 K2 N6 O4 Ru -","- C16 H16 K2 N6 O4 Ru -","- C64 H64 K8 N24 O16 Ru4 -","4","1","","Adams, Harry; Alsindi, Wassim Z.; Davies, Graham M.; Duriska, Martin B.; Easun, Timothy L.; Fenton, Hazel E.; Herrera, Juan-Manuel; George, Michael W.; Ronayne, Kate L.; Sun, Xue-Zhong; Towrie, Michael; Ward, Michael D.","New members of the [Ru(diimine)(CN)(4)](2-) family: structural, electrochemical and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","1","39","50","10.1039/b509042c","","","0.71073","MoKα","","0.1008","0.0548","","","0.1051","0.1191","","","","","","0.903","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006376","6.5658","0.0007","23.435","0.002","11.7021","0.0012","90","","93.836","0.002","90","","1796.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 K2 N8 O3 Ru -","- C12 H12 K2 N8 O3 Ru -","- C48 H48 K8 N32 O12 Ru4 -","4","1","","Adams, Harry; Alsindi, Wassim Z.; Davies, Graham M.; Duriska, Martin B.; Easun, Timothy L.; Fenton, Hazel E.; Herrera, Juan-Manuel; George, Michael W.; Ronayne, Kate L.; Sun, Xue-Zhong; Towrie, Michael; Ward, Michael D.","New members of the [Ru(diimine)(CN)(4)](2-) family: structural, electrochemical and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","1","39","50","10.1039/b509042c","","","0.71073","MoKα","","0.0451","0.0296","","","0.0612","0.067","","","","","","0.994","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006377","17.648","0.003","8.9779","0.0016","29.053","0.006","90","","105.468","0.003","90","","4436.5","1.4","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H16 K2 N7 O1.5 Ru -","- C20 H14 K2 N7 O1.5 Ru -","- C160 H112 K16 N56 O12 Ru8 -","8","1","","Adams, Harry; Alsindi, Wassim Z.; Davies, Graham M.; Duriska, Martin B.; Easun, Timothy L.; Fenton, Hazel E.; Herrera, Juan-Manuel; George, Michael W.; Ronayne, Kate L.; Sun, Xue-Zhong; Towrie, Michael; Ward, Michael D.","New members of the [Ru(diimine)(CN)(4)](2-) family: structural, electrochemical and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","1","39","50","10.1039/b509042c","","","0.71073","MoKα","","0.0998","0.0586","","","0.1269","0.1476","","","","","","1.105","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006378","28.636","0.006","14.487","0.003","15.487","0.003","90","","103.05","0.03","90","","6259","2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 Er0.5 K0.5 N7.5 O4.5 Ru -","- C18 H13 Er0.5 K0.5 N7 O5 Ru -","- C144 H104 Er4 K4 N56 O40 Ru8 -","8","1","","Adams, Harry; Alsindi, Wassim Z.; Davies, Graham M.; Duriska, Martin B.; Easun, Timothy L.; Fenton, Hazel E.; Herrera, Juan-Manuel; George, Michael W.; Ronayne, Kate L.; Sun, Xue-Zhong; Towrie, Michael; Ward, Michael D.","New members of the [Ru(diimine)(CN)(4)](2-) family: structural, electrochemical and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","1","39","50","10.1039/b509042c","","","0.71073","MoKα","","0.1668","0.0915","","","0.2636","0.3235","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006379","14.0042","0.0016","16.3639","0.0019","18.52","0.002","113.599","0.002","103.578","0.002","91.274","0.002","3748.2","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H70 Eu2 K2 N28 O21 Ru4 -","- C48 H54 Eu2 K2 N29 O20 Ru4 -","- C96 H108 Eu4 K4 N58 O40 Ru8 -","2","1","","Adams, Harry; Alsindi, Wassim Z.; Davies, Graham M.; Duriska, Martin B.; Easun, Timothy L.; Fenton, Hazel E.; Herrera, Juan-Manuel; George, Michael W.; Ronayne, Kate L.; Sun, Xue-Zhong; Towrie, Michael; Ward, Michael D.","New members of the [Ru(diimine)(CN)(4)](2-) family: structural, electrochemical and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","1","39","50","10.1039/b509042c","","","0.71073","MoKα","","0.0512","0.0396","","","0.0907","0.0952","","","","","","1.102","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006380","24.791","0.002","6.5425","0.0006","12.4486","0.0012","90","","90","","90","","2019.1","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Eu N9 O8 Ru -","- C12 H16 Eu N9 O8 Ru -","- C48 H64 Eu4 N36 O32 Ru4 -","4","1","","Adams, Harry; Alsindi, Wassim Z.; Davies, Graham M.; Duriska, Martin B.; Easun, Timothy L.; Fenton, Hazel E.; Herrera, Juan-Manuel; George, Michael W.; Ronayne, Kate L.; Sun, Xue-Zhong; Towrie, Michael; Ward, Michael D.","New members of the [Ru(diimine)(CN)(4)](2-) family: structural, electrochemical and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","1","39","50","10.1039/b509042c","","","0.71073","MoKα","","0.0208","0.0185","","","0.0417","0.0425","","","","","","1.048","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006381","12.5437","0.0003","14.4955","0.0004","35.1285","0.0011","90","","102.43","0.001","90","","6237.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H64 B2 Cu N6 -","- C78 H64 B2 Cu N6 -","- C312 H256 B8 Cu4 N24 -","4","1","","Murphy, Brian; Aljabri, Moza; Ahmed, Aaleya Mohamed; Murphy, Gillian; Hathaway, Brian J.; Light, Mark E.; Geilbrich, Thomas; Hursthouse, Michael B.","Structural systematics of the [Cu(chelate)3][Y]2 series. An interesting crystallographic structural insight involving vibronic coupling and the Jahn-Teller effect (JTE). The syntheses and low temperature crystal structures of tris(2,2'bipyridyl)copper(II) tetraphenylborate and tris(2,2'bipyridyl)zinc(II) tetraphenylborate.","Dalton transactions (Cambridge, England : 2003)","2006","","2","357","367","10.1039/b509070a","","x-ray","0.71073","MoKα","","0.1977","0.0624","","","0.1204","0.165","","","","","","0.918","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006382","12.517","0.0003","14.735","0.0003","34.205","0.001","90","","98.225","0.0007","90","","6243.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H64 B2 N6 Zn -","- C78 H64 B2 N6 Zn -","- C312 H256 B8 N24 Zn4 -","4","1","","Murphy, Brian; Aljabri, Moza; Ahmed, Aaleya Mohamed; Murphy, Gillian; Hathaway, Brian J.; Light, Mark E.; Geilbrich, Thomas; Hursthouse, Michael B.","Structural systematics of the [Cu(chelate)3][Y]2 series. An interesting crystallographic structural insight involving vibronic coupling and the Jahn-Teller effect (JTE). The syntheses and low temperature crystal structures of tris(2,2'bipyridyl)copper(II) tetraphenylborate and tris(2,2'bipyridyl)zinc(II) tetraphenylborate.","Dalton transactions (Cambridge, England : 2003)","2006","","2","357","367","10.1039/b509070a","","x-ray","0.71073","MoKα","","0.1733","0.0612","","","0.1193","0.1531","","","","","","0.948","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006383","11.1535","0.0004","11.5231","0.0004","14.0934","0.0006","85.359","0.001","67.82","0.001","72.751","0.001","1600.87","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","S2PW","","","- C57 H58 O10 P2 S4 Si4 W2 -","- C57 H58 O10 P2 S4 Si4 W2 -","- C57 H58 O10 P2 S4 Si4 W2 -","1","0.5","","Dienes, Yvonne; Eggenstein, Matthias; Neumann, Toni; Englert, Ulli; Baumgartner, Thomas","Synthesis and optoelectronic properties of transition metal complexes incorporating dithieno[3,2-b:2',3'-d]phosphole ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1424","1433","10.1039/b509277a","","","0.71073","MoKα","","0.0236","0.022","","","0.0519","0.0525","","","","","","1.069","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006384","16.279","0.003","13.492","0.003","14.313","0.003","90","","91.33","0.03","90","","3142.8","1.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","S2PAu","","","- C26 H37 Au Cl P S2 Si2 -","- C26 H37 Au Cl P S2 Si2 -","- C104 H148 Au4 Cl4 P4 S8 Si8 -","4","1","","Dienes, Yvonne; Eggenstein, Matthias; Neumann, Toni; Englert, Ulli; Baumgartner, Thomas","Synthesis and optoelectronic properties of transition metal complexes incorporating dithieno[3,2-b:2',3'-d]phosphole ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1424","1433","10.1039/b509277a","","","0.71073","MoKα","","0.0415","0.0338","","","0.075","0.0876","","","","","","1.167","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006385","11.179","0.002","14.844","0.003","18.518","0.004","94.93","0.03","95.76","0.03","94.64","0.03","3033.6","1.1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","S2P2W","","","- C32 H18 O4 P2 S4 W -","- C32 H18 O4 P2 S4 W -","- C128 H72 O16 P8 S16 W4 -","4","2","","Dienes, Yvonne; Eggenstein, Matthias; Neumann, Toni; Englert, Ulli; Baumgartner, Thomas","Synthesis and optoelectronic properties of transition metal complexes incorporating dithieno[3,2-b:2',3'-d]phosphole ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1424","1433","10.1039/b509277a","","","0.71073","MoKα","","0.0368","0.031","","","0.0781","0.0811","","","","","","1.048","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006386","19.235","0.004","8.384","0.0017","12.596","0.003","90","","90.19","0.03","90","","2031.3","0.8","153","2","153","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis-((mu2-bicyclo(2.2.1)heptane-2-one oximato-N,O) dimethylaluminium)","bis-({μ2-bicyclo[2.2.1]heptane-2-one oximato-N,O} dimethylaluminium)","","- C18 H32 Al2 N2 O2 -","- C18 H32 Al2 N2 O2 -","- C72 H128 Al8 N8 O8 -","4","0.5","","Ullrich, Matthias; Mitzel, Norbert W.; Bergander, Klaus; Fröhlich, Roland","Organoaluminium complexes with sterically demanding oximato ligands: does a bulky and rigid ligand backbone change the aggregation motif?","Dalton transactions (Cambridge, England : 2003)","2006","","5","714","721","10.1039/b509511e","","","0.71093","MoKα","","0.0518","0.0424","","","0.1153","0.1215","","","","","","1.042","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006387","13.7886","0.0013","20.1732","0.0019","14.6935","0.0014","90","","97.182","0.002","90","","4055.1","0.7","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","tris-((mu2-(1R,4R)-1,7,7-trimethylbicyclo(2.2.1)heptane-2-one oximato-O)dimethylaluminium)","","","- C36 H66 Al3 N3 O3 -","- C36 H66 Al3 N3 O3 -","- C144 H264 Al12 N12 O12 -","4","2","","Ullrich, Matthias; Mitzel, Norbert W.; Bergander, Klaus; Fröhlich, Roland","Organoaluminium complexes with sterically demanding oximato ligands: does a bulky and rigid ligand backbone change the aggregation motif?","Dalton transactions (Cambridge, England : 2003)","2006","","5","714","721","10.1039/b509511e","","","0.71073","MoKα","","0.1141","0.0794","","","0.1566","0.1713","","","","","","1.06","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006388","10.92","0.001","16.96","0.001","29.994","0.001","90","","90","","90","","5555","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 Al2 N2 O2 -","- C24 H44 Al2 N2 O2 -","- C192 H352 Al16 N16 O16 -","8","2","","Ullrich, Matthias; Mitzel, Norbert W.; Bergander, Klaus; Fröhlich, Roland","Organoaluminium complexes with sterically demanding oximato ligands: does a bulky and rigid ligand backbone change the aggregation motif?","Dalton transactions (Cambridge, England : 2003)","2006","","5","714","721","10.1039/b509511e","","","1.54178","CuKα","","0.059","0.0559","","","0.1599","0.1645","","","","","","1.028","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006389","39.226","0.004","13.0057","0.0014","16.1408","0.0018","90","","110.695","0.004","90","","7703.1","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H45 B2 Fe P3 -","- C45 H45 B2 Fe P3 -","- C360 H360 B16 Fe8 P24 -","8","1","","Mehn, Mark P.; Brown, Steven D.; Paine, Tapan K.; Brennessel, William W.; Cramer, Christopher J.; Peters, Jonas C.; Que, Jr, Lawrence","High-spin and low-spin iron(II) complexes with facially-coordinated borohydride ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1347","1351","10.1039/b509580h","","","0.71073","MoKα","","0.0971","0.0515","","","0.0785","0.0838","","","","","","1.433","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006390","16.185","0.001","16.185","0.001","25.833","0.003","90","","90","","120","","5860.4","0.9","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","02278","","","- C45 H38 B2 Fe N6 -","- C45 H38 B2 Fe N6 -","- C270 H228 B12 Fe6 N36 -","6","0.333333","","Mehn, Mark P.; Brown, Steven D.; Paine, Tapan K.; Brennessel, William W.; Cramer, Christopher J.; Peters, Jonas C.; Que, Jr, Lawrence","High-spin and low-spin iron(II) complexes with facially-coordinated borohydride ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1347","1351","10.1039/b509580h","","","0.71073","MoKα","","0.0357","0.0281","","","0.0621","0.0648","","","","","","1.015","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006391","17.011","0.003","10.913","0.002","22.793","0.005","90","","90.65","0.03","90","","4231","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H52 F12 Fe2 P8 -","- C28 H52 F12 Fe2 P8 -","- C112 H208 F48 Fe8 P32 -","4","1","","Edwards, Peter G.; Malik, K. M. Abdul; Ooi, Li-ling; Price, Andrew J.","Iron complexes of facially capping triphosphorus macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","3","433","441","10.1039/b509627h","","","0.71073","MoKα","","0.0755","0.0642","","","0.1697","0.1792","","","","","","1.057","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006392","10.296","0.002","15.901","0.003","18.784","0.004","90","","92.23","0.03","90","","3072.9","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H42 B2 F8 Fe N3 P3 -","- C21 H42 B2 F8 Fe N3 P3 -","- C84 H168 B8 F32 Fe4 N12 P12 -","4","1","","Edwards, Peter G.; Malik, K. M. Abdul; Ooi, Li-ling; Price, Andrew J.","Iron complexes of facially capping triphosphorus macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","3","433","441","10.1039/b509627h","","","0.71069","MoKα","","0.0905","0.0516","","","0.1035","0.1094","","","","","","0.929","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006393","15.392","0.0001","13.165","0.0001","27.211","0.003","90","","90","","90","","5513.9","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H48 B F4 Fe P3 -","- C25 H48 B F4 Fe P3 -","- C200 H384 B8 F32 Fe8 P24 -","8","1","","Edwards, Peter G.; Malik, K. M. Abdul; Ooi, Li-ling; Price, Andrew J.","Iron complexes of facially capping triphosphorus macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","3","433","441","10.1039/b509627h","","","0.71069","MoKα","","0.2166","0.0712","","","0.1419","0.1668","","","","","","1.006","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006394","8.075","0.001","19.277","0.002","17.852","0.001","90","","92.19","0.01","90","","2776.8","0.5","293","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 B F4 Fe O P3 -","- C24 H48 B F4 Fe O P3 -","- C96 H192 B4 F16 Fe4 O4 P12 -","4","1","","Edwards, Peter G.; Malik, K. M. Abdul; Ooi, Li-ling; Price, Andrew J.","Iron complexes of facially capping triphosphorus macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","3","433","441","10.1039/b509627h","","","0.71073","MoKα","","0.081","0.053","","","0.1105","0.1155","","","","","","0.972","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006395","12.893","0.003","5.9756","0.0015","17.382","0.004","90","","104.086","0.005","90","","1298.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Aquozinc(II) biphenyl-2,2'-dicarboxylate","Aquozinc(II) biphenyl-2,2'-dicarboxylate","","- C14 H10 O5 Zn -","- C14 H10 O5 Zn -","- C56 H40 O20 Zn4 -","4","1","","Dietzel, Pascal D. C.; Blom, Richard; Fjellvåg, Helmer","Increased dimensionalities of zinc-diphenic acid coordination polymers by simultaneous or subsequent addition of neutral bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","4","586","593","10.1039/b509746k","","","0.71073","MoKα","","0.033","0.0254","","","0.0664","0.068","","","","","","1.067","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006396","7.2726","0.0017","22.632","0.005","9.378","0.002","90","","109.421","0.003","90","","1455.7","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Triethylenediamminzin(II) 2,2'-biphenyldicarboxylate","","- C17 H14 N O4 Zn -","- C17 H14 N O4 Zn -","- C68 H56 N4 O16 Zn4 -","4","0.5","","Dietzel, Pascal D. C.; Blom, Richard; Fjellvåg, Helmer","Increased dimensionalities of zinc-diphenic acid coordination polymers by simultaneous or subsequent addition of neutral bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","4","586","593","10.1039/b509746k","","","0.71073","MoKα","","0.1114","0.0553","","","0.1265","0.1568","","","","","","0.942","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006397","23.27","0.003","24.089","0.004","29.24","0.004","90","","90","","90","","16391","4","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Biphenyl-2,2'-dicarboxylato-bis(4,4'-bipyridyl)-zinc(II)","Biphenyl-2,2'-dicarboxylato-bis(4,4'-bipyridyl)-zinc(II)","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C768 H512 N64 O128 Zn32 -","32","1","","Dietzel, Pascal D. C.; Blom, Richard; Fjellvåg, Helmer","Increased dimensionalities of zinc-diphenic acid coordination polymers by simultaneous or subsequent addition of neutral bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","4","586","593","10.1039/b509746k","","","0.71073","MoKα","","0.0404","0.0311","","","0.0821","0.0861","","","","","","1.039","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006398","6.913","0.001","16.283","0.003","8.594","0.002","90","","105.09","0.02","90","","934","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","catena-(aqua(mu-oxalato)(purine)manganese(ii))","catena-[aqua(mu-oxalato)(purine)manganese(II)]","","- C7 H6 Mn N4 O5 -","- C7 H6 Mn N4 O5 -","- C28 H24 Mn4 N16 O20 -","4","1","","García-Terán, Juan P; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; Beobide, Garikoitz; Román, Pascual","Supramolecular architectures assembled by the interaction of purine nucleobases with metal-oxalato frameworks. Non-covalent stabilization of the 7H-adenine tautomer in the solid-state.","Dalton transactions (Cambridge, England : 2003)","2006","","7","902","911","10.1039/b510018f","","","0.71073","MoKα","","0.0634","0.0317","","","0.0511","0.0555","","","","","","1.006","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006399","7.34","0.001","9.513","0.002","9.741","0.002","75.47","0.02","80.6","0.02","75.17","0.02","632.9","0.2","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","catena-(diaqua(mu-oxalato)manganese(ii)-adenine-water (1/1/1))","catena-[diaqua(mu-oxalato)manganese(II)-adenine-water (1/1/1)]","","- C7 H11 Mn N5 O7 -","- C7 H11 Mn N5 O7 -","- C14 H22 Mn2 N10 O14 -","2","1","","García-Terán, Juan P; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; Beobide, Garikoitz; Román, Pascual","Supramolecular architectures assembled by the interaction of purine nucleobases with metal-oxalato frameworks. Non-covalent stabilization of the 7H-adenine tautomer in the solid-state.","Dalton transactions (Cambridge, England : 2003)","2006","","7","902","911","10.1039/b510018f","","","0.71073","MoKα","","0.0736","0.0362","","","0.0521","0.0572","","","","","","1.035","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006400","3.587","0.001","17.965","0.002","18.01","0.002","97.7","0.01","92.42","0.01","91.87","0.01","1148.2","0.4","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","adenine(aqua)oxalatocopper(ii)-water (1/1.66)","adenine(aqua)oxalatocopper(II)-water (1/1.66)","","- C14 H20.66 Cu2 N10 O13.33 -","- C14 H14 Cu2 N10 O13.32 -","- C28 H28 Cu4 N20 O26.64 -","2","1","","García-Terán, Juan P; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; Beobide, Garikoitz; Román, Pascual","Supramolecular architectures assembled by the interaction of purine nucleobases with metal-oxalato frameworks. Non-covalent stabilization of the 7H-adenine tautomer in the solid-state.","Dalton transactions (Cambridge, England : 2003)","2006","","7","902","911","10.1039/b510018f","","","0.71073","MoKα","","0.1135","0.0573","","","0.1166","0.1302","","","","","","1.119","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006401","16.865","0.002","16.865","0.002","12.338","0.002","90","","90","","90","","3509.3","0.8","173","2","173","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C64 H100 Li8 N8 O10 -","- C64 H100 Li8 N8 O10 -","- C128 H200 Li16 N16 O20 -","2","0.25","","Aspinall, Garreth M.; Copsey, May C.; Jeffery, John C.; Breakspear, Angela P.; Russell, Christopher A.; Slattery, John M.","Lithium-nitrogen and lithium-boron-nitrogen cage compounds formed using the phenylhydrazido backbone.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1234","1238","10.1039/b510103d","","","0.71073","MoKα","","0.1201","0.057","","","0.1569","0.1842","","","","","","0.941","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006402","14.8417","0.0007","21.4036","0.0011","17.0192","0.0009","90","","97.829","0.001","90","","5356","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H136 B2 Li16 N16 O12 -","- C96 H136 B2 Li16 N16 O12 -","- C192 H272 B4 Li32 N32 O24 -","2","0.5","","Aspinall, Garreth M.; Copsey, May C.; Jeffery, John C.; Breakspear, Angela P.; Russell, Christopher A.; Slattery, John M.","Lithium-nitrogen and lithium-boron-nitrogen cage compounds formed using the phenylhydrazido backbone.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1234","1238","10.1039/b510103d","","","0.71073","MoKα","","0.1426","0.0686","","","0.1909","0.2199","","","","","","0.865","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006403","27.942","0.01","27.942","","25.627","0.005","90","","90","","90","","20008","8","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C73.5 H122.5 O29.75 V6 -","- C72 H100 O29 V6 -","- C576 H800 O232 V48 -","8","1","","Sañudo, E Carolina; Smith, Andrew A.; Mason, Pamela V.; Helliwell, Madeleine; Aromí, Guillem; Winpenny, Richard E. P.","Polynuclear vanadium complexes from thermal decomposition of [V3O(O2CPh)6(H2O)3]Cl.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1981","1987","10.1039/b510105k","","","0.71069","MoKα","","0.0813","0.0534","","","0.1328","0.1446","","","","","","0.928","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006404","22.953","0.005","16.46","0.003","42.24","0.008","90","","105.41","0.03","90","","15385","6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C64 H85 O30.25 V6 -","- C64 H85 O30.25 V6 -","- C512 H680 O242 V48 -","8","1","","Sañudo, E Carolina; Smith, Andrew A.; Mason, Pamela V.; Helliwell, Madeleine; Aromí, Guillem; Winpenny, Richard E. P.","Polynuclear vanadium complexes from thermal decomposition of [V3O(O2CPh)6(H2O)3]Cl.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1981","1987","10.1039/b510105k","","","0.6894","synchrotron","","0.0863","0.0666","","","0.1891","0.2029","","","","","","1.038","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006405","8.269","0.003","10.41","0.004","10.932","0.003","71.69","0.03","69.23","0.03","80.42","0.03","833.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 O8 V2 -","- C12 H21 O9 V2 -","- C24 H42 O18 V4 -","2","1","","Sañudo, E Carolina; Smith, Andrew A.; Mason, Pamela V.; Helliwell, Madeleine; Aromí, Guillem; Winpenny, Richard E. P.","Polynuclear vanadium complexes from thermal decomposition of [V3O(O2CPh)6(H2O)3]Cl.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1981","1987","10.1039/b510105k","","","0.71073","MoKα","","0.0666","0.0461","","","0.122","0.1402","","","","","","1.006","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006406","15.9084","0.0003","13.6094","0.0003","15.1155","0.0002","90","","104.347","0.0008","90","","3170.5","0.1","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) hemiiodide sesqui(triiodide)","","- C22 H18 Fe I5 N10 -","- C22 H18 Fe I5 N10 -","- C88 H72 Fe4 I20 N40 -","4","1","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0709","0.0489","","","0.1186","0.1327","","","","","","1.068","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006407","37.297","0.002","10.5955","0.0006","29.6321","0.0017","90","","90","","90","","11710","1.1","300","2","300","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) bis[di(dicarbollido)cobalt(III)] nitromethane solvate (1/0.75)","","- C30.75 H64.25 B36 Co2 Fe N10.75 O1.5 -","- C30.75 H64.25 B36 Co2 Fe N10.75 O1.5 -","- C246 H514 B288 Co16 Fe8 N86 O12 -","8","2","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0507","0.0439","","","0.1121","0.1169","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006408","37.3516","0.0019","10.584","0.0006","29.5118","0.0015","90","","90","","90","","11666.9","1.1","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) bis[di(dicarbollido)cobalt(III)] nitromethane solvate (1/0.75)","","- C30.75 H64.25 B36 Co2 Fe N10.75 O1.5 -","- C30.75 H64.25 B36 Co2 Fe N10.75 O1.5 -","- C246 H514 B288 Co16 Fe8 N86 O12 -","8","2","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0973","0.0765","","","0.2015","0.2141","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006409","19.7007","0.0004","11.1095","0.0002","16.8557","0.0002","90","","110.916","0.0006","90","","3446.04","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[2,6-bis(3-methylpyrazol-1-yl)pyridine]iron(II) dihexafluoroantimonate","","- C26 H26 F12 Fe N10 Sb2 -","- C26 H26 F12 Fe N10 Sb2 -","- C104 H104 F48 Fe4 N40 Sb8 -","4","1","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0637","0.0402","","","0.0934","0.1038","","","","","","1.034","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006410","23.3113","0.0003","11.2528","0.0002","28.4066","0.0004","90","","107.308","0.0008","90","","7114.15","0.19","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[2,6-(3-methylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetone solvate","","- C29 H32 Cl2 Fe N10 O9 -","- C29 H32 Cl2 Fe N10 O9 -","- C232 H256 Cl16 Fe8 N80 O72 -","8","1","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.1266","0.0851","","","0.2223","0.2566","","","","","","1.042","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006411","23.1702","0.0004","11.191","0.0002","28.3275","0.0005","90","","107.087","0.0009","90","","7021","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[2,6-(3-methylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetone solvate","","- C29 H32 Cl2 Fe N10 O9 -","- C29 H32 Cl2 Fe N10 O9 -","- C232 H256 Cl16 Fe8 N80 O72 -","8","1","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0898","0.0676","","","0.184","0.2046","","","","","","1.045","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006412","22.8777","0.0002","11.024","0.0001","28.3914","0.0003","90","","106.332","0.0007","90","","6871.49","0.12","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[2,6-(3-methylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetone solvate","","- C29 H32 Cl2 Fe N10 O9 -","- C29 H32 Cl2 Fe N10 O9 -","- C232 H256 Cl16 Fe8 N80 O72 -","8","1","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0807","0.0621","","","0.1745","0.1963","","","","","","1.109","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006413","22.7743","0.0003","10.9586","0.0002","28.4036","0.0004","90","","106.152","0.0009","90","","6808.98","0.18","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[2,6-(3-methylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetone solvate","","- C29 H32 Cl2 Fe N10 O9 -","- C29 H32 Cl2 Fe N10 O9 -","- C232 H256 Cl16 Fe8 N80 O72 -","8","1","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0718","0.0544","","","0.1493","0.1647","","","","","","1.042","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006414","11.6508","0.0001","13.7476","0.0001","26.4113","0.0003","90","","90","","90","","4230.31","0.07","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-bis(3-methylpyrazol-1-yl)pyridine] ditetrafluoroborate tetrakis-acetonitrile solvate","","- C34 H38 B2 F8 Fe N14 -","- C34 H38 B2 F8 Fe N14 -","- C136 H152 B8 F32 Fe4 N56 -","4","1","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0662","0.0421","","","0.1101","0.1233","","","","","","1.047","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006415","11.5476","0.0001","13.6803","0.0001","26.3236","0.0002","90","","90","","90","","4158.46","0.06","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-bis(3-methylpyrazol-1-yl)pyridine] ditetrafluoroborate tetrakis-acetonitrile solvate","","- C34 H38 B2 F8 Fe N14 -","- C34 H38 B2 F8 Fe N14 -","- C136 H152 B8 F32 Fe4 N56 -","4","1","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0423","0.0367","","","0.0998","0.1052","","","","","","1.025","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006416","11.3871","0.0001","13.6181","0.0001","26.2355","0.0003","90","","90","","90","","4068.36","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-bis(3-methylpyrazol-1-yl)pyridine] ditetrafluoroborate tetrakis-acetonitrile solvate","","- C34 H38 B2 F8 Fe N14 -","- C34 H38 B2 F8 Fe N14 -","- C136 H152 B8 F32 Fe4 N56 -","4","1","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0599","0.0412","","","0.0983","0.1074","","","","","","1.026","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006417","11.2572","0.0001","13.5578","0.0001","26.1701","0.0002","90","","90","","90","","3994.16","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-bis(3-methylpyrazol-1-yl)pyridine] ditetrafluoroborate tetrakis-acetonitrile solvate","","- C34 H38 B2 F8 Fe N14 -","- C34 H38 B2 F8 Fe N14 -","- C136 H152 B8 F32 Fe4 N56 -","4","1","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0432","0.0339","","","0.0834","0.0885","","","","","","1.033","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006418","13.5297","0.0015","14.7786","0.0017","16.4101","0.0018","89.065","0.002","74.643","0.002","84.216","0.002","3147.8","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","TlPt3 triphenylphosphine cluster","","","- C65 H61 F6 O5 P4 Pt3 Tl -","- C65 H61 F6 O5 P4 Pt3 Tl -","- C130 H122 F12 O10 P8 Pt6 Tl2 -","2","1","","de Silva, Namal; Fry, Charles G.; Dahl, Lawrence F.","Phosphine-ligated induced formation of thallium(I) full Pt3TlPt3 sandwich versus ""open-face"" TlPt3 sandwich with triangular Pt3(mu2-CO)3(PR3)3 units: synthesis and structural/spectroscopic analysis of triphenylphosphine [(mu3-Tl)Pt3(mu2-CO)3(PPh3)3]+ and its (mu3-AuPPh3)Pt3 analogue.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1051","1059","10.1039/b510373h","","","0.71073","MoKα","","0.0426","0.0344","","","0.0853","0.0981","","","","","","1.116","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006419","9.9117","0.0005","13.2871","0.0005","9.7067","0.0005","105.593","0.002","96.44","0.004","90.888","0.003","1222.14","0.1","133","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Br O P -","- C24 H38 Br O P -","- C48 H76 Br2 O2 P2 -","2","1","","Ito, Shigekazu; Freytag, Matthias; Yoshifuji, Masaaki","Structural and coordination properties of 1,2-bis(cyclopropyl)-3,4-bis(2,4,6-tri-tert-butylphenyl)-3,4-diphosphinidenecyclobutene prepared by dehydrogenative homocoupling of 3-cyclopropyl-1-(2,4,6-tri-tert-butylphenyl)-1-phosphaallene.","Dalton transactions (Cambridge, England : 2003)","2006","","5","710","713","10.1039/b510432g","","","0.7107","MoKα","","","0.0508","","","","0.0775","","","","","","1.311","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006420","15.9","0.0004","24.1687","0.0007","11.3333","0.0005","90","","89.711","0.001","90","","4355.1","0.3","140","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H68 P2 -","- C46 H68 P2 -","- C184 H272 P8 -","4","1","","Ito, Shigekazu; Freytag, Matthias; Yoshifuji, Masaaki","Structural and coordination properties of 1,2-bis(cyclopropyl)-3,4-bis(2,4,6-tri-tert-butylphenyl)-3,4-diphosphinidenecyclobutene prepared by dehydrogenative homocoupling of 3-cyclopropyl-1-(2,4,6-tri-tert-butylphenyl)-1-phosphaallene.","Dalton transactions (Cambridge, England : 2003)","2006","","5","710","713","10.1039/b510432g","","","0.7107","MoKα","","","0.0969","","","","0.1075","","","","","","1.673","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006421","19.4009","0.0005","15.0454","0.0004","15.8448","0.0007","90","","90","","90","","4625","0.3","133","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H68 Au2 Cl2 P2 -","- C46 H68 Au2 Cl2 P2 -","- C184 H272 Au8 Cl8 P8 -","4","1","","Ito, Shigekazu; Freytag, Matthias; Yoshifuji, Masaaki","Structural and coordination properties of 1,2-bis(cyclopropyl)-3,4-bis(2,4,6-tri-tert-butylphenyl)-3,4-diphosphinidenecyclobutene prepared by dehydrogenative homocoupling of 3-cyclopropyl-1-(2,4,6-tri-tert-butylphenyl)-1-phosphaallene.","Dalton transactions (Cambridge, England : 2003)","2006","","5","710","713","10.1039/b510432g","","","0.7107","MoKα","","","0.0314","","","","0.038","","","","","","0.789","","","","has coordinates","295947","2024-11-15","22:25:06",""
"7006422","6.9611","0.0003","13.1345","0.0007","14.2416","0.0007","115.429","0.005","95.965","0.004","98.219","0.004","1143.81","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H22 Fe N O8 P W -","- C20 H22 Fe N O8 P W -","- C40 H44 Fe2 N2 O16 P2 W2 -","2","1","","Kowalski, Konrad; Zakrzewski, Janusz; Long, Nicholas J.; Suwaki, Natsuko; Mann, David J.; White, Andrew J. P.","Synthesis, structure and assessment of the cytotoxic properties of 2,5-dimethylazaferrocenyl phosphonates.","Dalton transactions (Cambridge, England : 2003)","2006","","4","571","576","10.1039/b510445a","","","0.71073","MoKα","","0.0416","0.0407","","","0.102","0.103","","","","","","1.142","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006423","6.9445","0.0004","12.8462","0.0008","17.3296","0.0011","110.379","0.001","90.81","0.001","94.521","0.001","1443.28","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cl2 N10 Ni -","- C30 H22 Cl2 N10 Ni -","- C60 H44 Cl4 N20 Ni2 -","2","1","","Ghosh, Tamal; Maiya, Bhaskar G.; Samanta, Anunay","A colorimetric chemosensor for both fluoride and transition metal ions based on dipyrrolyl derivative.","Dalton transactions (Cambridge, England : 2003)","2006","","6","795","801","10.1039/b510469f","","","0.71073","MoKα","","0.1103","0.0724","","","0.1991","0.2241","","","","","","1.04","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006424","6.7615","0.0006","9.3751","0.0009","12.22","0.0011","83.376","0.002","89.496","0.002","75.25","0.002","743.92","0.12","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N5 O2 -","- C15 H15 N5 O2 -","- C30 H30 N10 O4 -","2","1","","Ghosh, Tamal; Maiya, Bhaskar G.; Samanta, Anunay","A colorimetric chemosensor for both fluoride and transition metal ions based on dipyrrolyl derivative.","Dalton transactions (Cambridge, England : 2003)","2006","","6","795","801","10.1039/b510469f","","","0.71073","MoKα","","0.0792","0.0651","","","0.1874","0.2003","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006425","12.243","0.001","15.03","0.001","21.803","0.001","90","","90","","90","","4012","0.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 F3 O5 P3 Ru S -","- C42 H38 F3 O5 P3 Ru S -","- C168 H152 F12 O20 P12 Ru4 S4 -","4","1","","Akbayeva, Dina N.; Di Vaira, Massimo; Costantini, Stefano Seniori; Peruzzini, Maurizio; Stoppioni, Piero","Stabilization of the tautomers HP(OH)2 and P(OH)3 of hypophosphorous and phosphorous acids as ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","2","389","395","10.1039/b510479c","","","0.71069","MoKα","","0.0879","0.0444","","","0.0976","0.1106","","","","","","0.902","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006426","14.1","0.002","14.337","0.002","22.247","0.003","90","","90","","90","","4497.3","1.1","293","2","293","2","","","","","","","","8","P 2 n n","P -2n 2","34","","","","- C43 H40 Cl2 F3 O6 P3 Ru S -","- C43 H40 Cl2 F3 O6 P3 Ru S -","- C172 H160 Cl8 F12 O24 P12 Ru4 S4 -","4","1","","Akbayeva, Dina N.; Di Vaira, Massimo; Costantini, Stefano Seniori; Peruzzini, Maurizio; Stoppioni, Piero","Stabilization of the tautomers HP(OH)2 and P(OH)3 of hypophosphorous and phosphorous acids as ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","2","389","395","10.1039/b510479c","","","0.71069","MoKα","","0.0875","0.0449","","","0.1089","0.1233","","","","","","0.911","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006427","13.666","0.003","22.517","0.004","14.244","0.003","90","","91.91","0.02","90","","4380.7","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 F3 O4 P4 Ru -","- C47 H51 F3 O4 P4 Ru -","- C188 H204 F12 O16 P16 Ru4 -","4","1","","Akbayeva, Dina N.; Di Vaira, Massimo; Costantini, Stefano Seniori; Peruzzini, Maurizio; Stoppioni, Piero","Stabilization of the tautomers HP(OH)2 and P(OH)3 of hypophosphorous and phosphorous acids as ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","2","389","395","10.1039/b510479c","","","0.71069","MoKα","","0.1164","0.0747","","","0.206","0.2331","","","","","","0.941","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006428","10.38287","0.00022","7.15915","0.00019","10.2195","0.00029","90","","108.723","0.0016","90","","719.44","0.03","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 Mn O7 P -","- C3 Mn O7 P -","- C12 Mn4 O28 P4 -","4","1","","Gómez-Alcantara, M Mar; Aranda, Miguel A. G.; Olivera-Pastor, Pascual; Beran, Premysl; García-Muñoz, José L; Cabeza, Aurelio","Layered and pillared metal carboxyethylphosphonate hybrid compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","4","577","585","10.1039/b510482c","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.08244","","2.19","","","","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006429","24.5597","0.0016","4.9197","0.0004","5.7769","0.0004","90","","90","","90","","698","0.09","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 Mn O6 P -","- C3 Mn O6 P -","- C12 Mn4 O24 P4 -","4","1","","Gómez-Alcantara, M Mar; Aranda, Miguel A. G.; Olivera-Pastor, Pascual; Beran, Premysl; García-Muñoz, José L; Cabeza, Aurelio","Layered and pillared metal carboxyethylphosphonate hybrid compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","4","577","585","10.1039/b510482c","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07817","","2.21","","","","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006430","10.54073","0.00022","7.89512","0.00016","10.32709","0.00022","90","","109.819","0.0013","90","","808.52","0.03","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C6 Al3 O15 P2 -","- C6 Al3 O15 P2 -","- C12 Al6 O30 P4 -","2","0.5","","Gómez-Alcantara, M Mar; Aranda, Miguel A. G.; Olivera-Pastor, Pascual; Beran, Premysl; García-Muñoz, José L; Cabeza, Aurelio","Layered and pillared metal carboxyethylphosphonate hybrid compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","4","577","585","10.1039/b510482c","powder diffraction","x-ray","0.429697","","","","","","","","","0.07413","","0.96","","","","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006431","12.2393","0.001","14.3304","0.001","13.449","0.001","90","","96.518","0.004","90","","2343.6","0.3","200","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H58 N2 O8 Sn2 -","- C46 H58 N2 O8 Sn2 -","- C92 H116 N4 O16 Sn4 -","2","1","","Chisholm, M. H.; Galucci, J.; Krempner, C.; Wiggenhorn, C.","Comments on the ring-opening polymerization of morpholine-2,5-dione derivatives by various metal catalysts and characterization of the products formed in the reactions involving R2SnX2, where X = OPr(i) and NMe2 and R = Bu(n), Ph and p-Me2NC6H4.","Dalton transactions (Cambridge, England : 2003)","2006","","6","846","851","10.1039/b510580c","","","0.71073","MoKα","","0.0337","0.0247","","","0.048","0.0504","","","","","","1.042","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006432","5.012","0.001","7.461","0.001","18.66","0.004","90","","90","","90","","697.8","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N O3 -","- C6 H9 N O3 -","- C24 H36 N4 O12 -","4","1","","Chisholm, M. H.; Galucci, J.; Krempner, C.; Wiggenhorn, C.","Comments on the ring-opening polymerization of morpholine-2,5-dione derivatives by various metal catalysts and characterization of the products formed in the reactions involving R2SnX2, where X = OPr(i) and NMe2 and R = Bu(n), Ph and p-Me2NC6H4.","Dalton transactions (Cambridge, England : 2003)","2006","","6","846","851","10.1039/b510580c","","","0.71073","MoKα","","0.0487","0.0361","","0.1191","0.0875","","","","1.156","0.925","0.925","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006433","8.905","0.002","5.256","0.001","9.185","0.003","90","","99.11","0.01","90","","424.48","0.19","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C16 H26 N2 O6 -","2","1","","Chisholm, M. H.; Galucci, J.; Krempner, C.; Wiggenhorn, C.","Comments on the ring-opening polymerization of morpholine-2,5-dione derivatives by various metal catalysts and characterization of the products formed in the reactions involving R2SnX2, where X = OPr(i) and NMe2 and R = Bu(n), Ph and p-Me2NC6H4.","Dalton transactions (Cambridge, England : 2003)","2006","","6","846","851","10.1039/b510580c","","","0.71073","MoKα","","0.0388","0.0338","","0.0832","0.0809","","","","1.083","1.108","1.108","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006434","17.406","0.001","17.406","0.001","11.737","0.001","90","","90","","120","","3079.5","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 32 2 1","P 32 2""","154","Chisholm 1284","","","- C32 H64 N4 O6 Sn2 -","- C32 H64 N4 O6 Sn2 -","- C96 H192 N12 O18 Sn6 -","3","0.5","","Chisholm, M. H.; Galucci, J.; Krempner, C.; Wiggenhorn, C.","Comments on the ring-opening polymerization of morpholine-2,5-dione derivatives by various metal catalysts and characterization of the products formed in the reactions involving R2SnX2, where X = OPr(i) and NMe2 and R = Bu(n), Ph and p-Me2NC6H4.","Dalton transactions (Cambridge, England : 2003)","2006","","6","846","851","10.1039/b510580c","","x-ray","0.71073","MoKα","","0.0411","0.0306","","","0.0704","0.074","","","","","","1.046","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006435","10.7256","0.0007","11.4602","0.0008","17.609","0.001","77.918","0.001","83.014","0.001","88.284","0.001","2100.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tetracarbonyl(bis(2-diphenylphosphinoxynaphthalen-1-yl) methane)molybdenum(0) dichloromethane solvate","","- C50 H36 Cl2 Mo O6 P2 -","- C50 H36 Cl2 Mo O6 P2 -","- C100 H72 Cl4 Mo2 O12 P4 -","2","1","","Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.","Bis(2-diphenylphosphinoxynaphthalen-1-yl)methane: transition metal chemistry, Suzuki cross-coupling reactions and homogeneous hydrogenation of olefins.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1322","1330","10.1039/b510589g","","","0.71073","MoKα","","0.0657","0.0496","","","0.1047","0.112","","","","","","1.039","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006436","19.924","0.002","10.741","0.001","22.488","0.002","90","","108.071","0.001","90","","4575.1","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","η^3^-allyl(bis(2-diphenylphosphinoxynaphthalen-1-yl) methane)palladium(II) tetrafluoroborate bis(dichloro methane) solvate","","- C50 H43 B Cl4 F4 O2 P2 Pd -","- C50 H43 B Cl4 F4 O2 P2 Pd -","- C200 H172 B4 Cl16 F16 O8 P8 Pd4 -","4","1","","Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.","Bis(2-diphenylphosphinoxynaphthalen-1-yl)methane: transition metal chemistry, Suzuki cross-coupling reactions and homogeneous hydrogenation of olefins.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1322","1330","10.1039/b510589g","","","0.71073","MoKα","","0.0632","0.0548","","","0.1436","0.1483","","","","","","1.081","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006437","15.008","0.001","10.9488","0.0009","26.287","0.002","90","","105.429","0.001","90","","4163.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro(bis(2-diphenylphosphinoxynaphthalen-1-yl) methane)nickel(II) dichloromethane solvate","","- C46 H36 Cl4 Ni O2 P2 -","- C46 H36 Cl4 Ni O2 P2 -","- C184 H144 Cl16 Ni4 O8 P8 -","4","1","","Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.","Bis(2-diphenylphosphinoxynaphthalen-1-yl)methane: transition metal chemistry, Suzuki cross-coupling reactions and homogeneous hydrogenation of olefins.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1322","1330","10.1039/b510589g","","","0.71073","MoKα","","0.0549","0.041","","","0.1005","0.1061","","","","","","1.052","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006438","12.337","0.001","12.453","0.001","12.806","0.001","84.941","0.001","88.464","0.001","78.992","0.001","1923.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Chloro(bis(2-diphenylphosphinoxynaphthalen-1-yl) methane)gold(I)","","- C46 H34 Au Cl3 O2 P2 -","- C46 H34 Au Cl3 O2 P2 -","- C92 H68 Au2 Cl6 O4 P4 -","2","1","","Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.","Bis(2-diphenylphosphinoxynaphthalen-1-yl)methane: transition metal chemistry, Suzuki cross-coupling reactions and homogeneous hydrogenation of olefins.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1322","1330","10.1039/b510589g","","","0.71073","MoKα","","0.0369","0.0346","","","0.0906","0.092","","","","","","1.077","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006439","16.935","0.002","12.521","0.002","20.62","0.003","90","","98.936","0.002","90","","4319.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro(bis(2-diphenylphosphinoxynaphthalen-1-yl) methane)digold(I)","","- C45 H34 Au2 Cl2 O2 P2 -","- C45 H34 Au2 Cl2 O2 P2 -","- C180 H136 Au8 Cl8 O8 P8 -","4","1","","Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.","Bis(2-diphenylphosphinoxynaphthalen-1-yl)methane: transition metal chemistry, Suzuki cross-coupling reactions and homogeneous hydrogenation of olefins.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1322","1330","10.1039/b510589g","","","0.71073","MoKα","","0.0728","0.0576","","","0.121","0.1247","","","","","","1.268","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006440","9.62","0.006","10.998","0.008","13.319","0.007","90","","108.71","0.05","90","","1334.7","1.5","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H38 N10 O8 Zn -","- C20 H38 N10 O8 Zn -","- C40 H76 N20 O16 Zn2 -","2","1","","Bazzicalupi, Carla; Bencini, Andrea; Faggi, Enrico; Garau, Alessandra; Giorgi, Claudia; Lippolis, Vito; Perra, Alessandro; Valtancoli, Barbara","Encapsulation of metal cations and anions within the cavity of bis(1,4,7-triazacyclononane) receptors.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1409","1418","10.1039/b510669a","","","1.5418","CuKα","","0.105","0.0622","","","0.1521","0.1759","","","","","","0.915","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006441","13.786","0.003","9.7314","0.0018","17.518","0.003","90","","109.79","0.004","90","","2211.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Fe2 N2 O7 -","- C22 H14 Fe2 N2 O7 -","- C88 H56 Fe8 N8 O28 -","4","1","","Xiao, Nu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Unusual reactions of [{micro-(phthalazine-N2:N3)}Fe2(micro-CO)(CO)6] with organolithium reagents. A novel coordination mode of 1,2-diazane diiron carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","4","603","608","10.1039/b510676c","","","0.71073","MoKα","","0.1028","0.0486","","","0.0684","0.079","","","","","","0.766","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006442","10.1738","0.001","10.2354","0.001","12.7042","0.0013","85.943","0.002","86.833","0.002","79.76","0.002","1297.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 Cl2 Fe2 N2 O8 -","- C23 H14 Cl2 Fe2 N2 O8 -","- C46 H28 Cl4 Fe4 N4 O16 -","2","1","","Xiao, Nu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Unusual reactions of [{micro-(phthalazine-N2:N3)}Fe2(micro-CO)(CO)6] with organolithium reagents. A novel coordination mode of 1,2-diazane diiron carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","4","603","608","10.1039/b510676c","","","0.71073","MoKα","","0.1104","0.0687","","","0.1763","0.1979","","","","","","0.91","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006443","15.3506","0.0007","11.8073","0.0005","20.1478","0.0009","90","","98.5763","0.0007","90","","3610.9","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H58 K2 O2 Si6 -","- C22 H58 K2 O2 Si6 -","- C88 H232 K8 O8 Si24 -","4","0.5","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.; Smith, J. David; Eaborn, C.","Alkali metal complexes of sterically hindered mono- and di-carbanions containing Si-O bonds.","Dalton transactions (Cambridge, England : 2003)","2006","","3","502","508","10.1039/b510692c","","","0.71069","MoKα","","0.0623","0.0454","","","0.1212","0.1368","","","","","","1.055","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006444","22.008","0.003","23.186","0.002","19.182","0.003","90","","90","","90","","9788","2","150","2","150","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C32 H82 Li2 O8 Si6 -","- C32 H82 Li2 O8 Si6 -","- C256 H656 Li16 O64 Si48 -","8","","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.; Smith, J. David; Eaborn, C.","Alkali metal complexes of sterically hindered mono- and di-carbanions containing Si-O bonds.","Dalton transactions (Cambridge, England : 2003)","2006","","3","502","508","10.1039/b510692c","","","0.71073","MoKα","","0.097","0.0586","","","0.1459","0.1695","","","","","","1.058","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006445","9.3569","0.0006","15.2079","0.001","12.4082","0.0009","90","","106.998","0.001","90","","1688.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H27 K O Si3 -","- C10 H27 K O Si3 -","- C40 H108 K4 O4 Si12 -","4","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.; Smith, J. David; Eaborn, C.","Alkali metal complexes of sterically hindered mono- and di-carbanions containing Si-O bonds.","Dalton transactions (Cambridge, England : 2003)","2006","","3","502","508","10.1039/b510692c","","","0.71073","MoKα","","0.0493","0.0445","","","0.1154","0.119","","","","","","1.105","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006446","21.873","0.007","22.84","0.004","12.268","0.007","90","","90","","90","","6129","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Cl Cu N3 -","- C33 H33 Cl Cu N3 -","- C264 H264 Cl8 Cu8 N24 -","8","1","","Nairn, Alison K.; Archibald, Stephen J.; Bhalla, Rajiv; Boxwell, Clive J.; Whitwood, Adrian C.; Walton, Paul H.","Syntheses of copper(I)cis-1,3,5-tri-iminocyclohexane complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1790","1795","10.1039/b510703b","","","0.71069","MoKα","","0.3245","0.0468","","","0.11","0.1915","","","","","","0.926","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006447","12.957","0.003","21.405","0.005","21.458","0.005","90","","90","","90","","5951","2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C33 H33 Br Cu N3 -","- C33 H33 Br Cu N3 -","- C264 H264 Br8 Cu8 N24 -","8","2","","Nairn, Alison K.; Archibald, Stephen J.; Bhalla, Rajiv; Boxwell, Clive J.; Whitwood, Adrian C.; Walton, Paul H.","Syntheses of copper(I)cis-1,3,5-tri-iminocyclohexane complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1790","1795","10.1039/b510703b","","","0.71073","MoKα","","0.0664","0.0416","","","0.0684","0.0773","","","","","","1.052","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006448","12.2294","0.001","13.5896","0.0011","17.0826","0.0014","90","","90","","90","","2839","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H33 Cu N4 O2 -","- C33 H33 Cu N4 O2 -","- C132 H132 Cu4 N16 O8 -","4","1","","Nairn, Alison K.; Archibald, Stephen J.; Bhalla, Rajiv; Boxwell, Clive J.; Whitwood, Adrian C.; Walton, Paul H.","Syntheses of copper(I)cis-1,3,5-tri-iminocyclohexane complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1790","1795","10.1039/b510703b","","","0.71073","MoKα","","0.0289","0.0261","","","0.0632","0.0643","","","","","","0.987","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006449","8.2803","0.001","10.4219","0.0013","22.157","0.003","90","","91.823","0.003","90","","1911.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H50 Cl N5 O Os S -","- C39 H51 Cl2 N5 O Os S -","- C78 H102 Cl4 N10 O2 Os2 S2 -","2","0.5","","Carter, Shawn M.; Lee, Jonghyuk; Hixson, Christopher Adam; Powell, Douglas R.; Wheeler, Ralph A.; Shaw, Michael J.; Richter-Addo, George B","Fiber-optic infrared reflectance spectroelectrochemical studies of osmium and ruthenium nitrosyl porphyrins containing alkoxide and thiolate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1338","1346","10.1039/b510717b","","","0.71073","MoKα","","0.0407","0.037","","","0.0782","0.0798","","","","","","1.097","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006450","8.6866","0.0014","10.0634","0.0016","11.0019","0.0017","86.08","0.002","77.988","0.002","65.35","0.002","854.8","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","(OEP)Os(NO)(OEt)","","","- C38 H49 N5 O2 Os -","- C38 H49 N5 O2 Os -","- C38 H49 N5 O2 Os -","1","0.5","","Carter, Shawn M.; Lee, Jonghyuk; Hixson, Christopher Adam; Powell, Douglas R.; Wheeler, Ralph A.; Shaw, Michael J.; Richter-Addo, George B","Fiber-optic infrared reflectance spectroelectrochemical studies of osmium and ruthenium nitrosyl porphyrins containing alkoxide and thiolate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1338","1346","10.1039/b510717b","","","0.71073","MoKα","","0.0522","0.0398","","","0.0966","0.1039","","","","","","1.106","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006451","20.798","0.003","20.798","0.003","4.4144","0.0014","90","","90","","90","","1909.5","0.7","298","2","298","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C8 H20 Cd O4 P2 Se4 -","- C8 Cd O4 P2 Se4 -","- C32 Cd4 O16 P8 Se16 -","4","0.25","","Liu, C. W.; Lobana, Tarlok S.; Santra, Bidyut K.; Hung, Chiu-Mine; Liu, Hong-Yuan; Liaw, Ben-Jie; Wang, Ju-Chun","Coordination chemistry of Group 12 metals with phosphorodiselenoates: syntheses, structures and VT 31P NMR study of monomer-dimer exchange equilibrium.","Dalton transactions (Cambridge, England : 2003)","2006","","4","560","570","10.1039/b510728h","","","0.71073","MoKα","","0.0739","0.0509","","","0.1226","0.1317","","","","","","1.072","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006452","11.287","0.002","17.274","0.002","26.846","0.004","90","","99.838","0.015","90","","5157.2","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 Cd2 O8 P4 Se8 -","- C24 H34 Cd2 O8 P4 Se8 -","- C96 H136 Cd8 O32 P16 Se32 -","4","0.5","","Liu, C. W.; Lobana, Tarlok S.; Santra, Bidyut K.; Hung, Chiu-Mine; Liu, Hong-Yuan; Liaw, Ben-Jie; Wang, Ju-Chun","Coordination chemistry of Group 12 metals with phosphorodiselenoates: syntheses, structures and VT 31P NMR study of monomer-dimer exchange equilibrium.","Dalton transactions (Cambridge, England : 2003)","2006","","4","560","570","10.1039/b510728h","","","0.71073","MoKα","","0.1707","0.0673","","","0.1463","0.1903","","","","","","1.011","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006453","11.956","0.003","9.2117","0.0018","22.082","0.004","90","","93.808","0.013","90","","2426.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Hg O4 P2 Se4 -","- C12 H28 Hg O4 P2 Se4 -","- C48 H112 Hg4 O16 P8 Se16 -","4","1","","Liu, C. W.; Lobana, Tarlok S.; Santra, Bidyut K.; Hung, Chiu-Mine; Liu, Hong-Yuan; Liaw, Ben-Jie; Wang, Ju-Chun","Coordination chemistry of Group 12 metals with phosphorodiselenoates: syntheses, structures and VT 31P NMR study of monomer-dimer exchange equilibrium.","Dalton transactions (Cambridge, England : 2003)","2006","","4","560","570","10.1039/b510728h","","","0.71073","MoKα","","0.094","0.0633","","","0.1506","0.1703","","","","","","1.035","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006454","21.2128","0.0016","21.2128","0.0016","11.5527","0.0016","90","","90","","120","","4502","0.8","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H60 O13 P6 Se12 Zn4 -","- C24 H60 O13 P6 Se12 Zn4 -","- C72 H180 O39 P18 Se36 Zn12 -","3","0.166667","","Liu, C. W.; Lobana, Tarlok S.; Santra, Bidyut K.; Hung, Chiu-Mine; Liu, Hong-Yuan; Liaw, Ben-Jie; Wang, Ju-Chun","Coordination chemistry of Group 12 metals with phosphorodiselenoates: syntheses, structures and VT 31P NMR study of monomer-dimer exchange equilibrium.","Dalton transactions (Cambridge, England : 2003)","2006","","4","560","570","10.1039/b510728h","","","0.71073","MoKα","","0.0561","0.0426","","","0.1055","0.1118","","","","","","1.062","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006455","22.72","0.0003","22.72","0.0003","11.9987","0.0004","90","","90","","120","","5363.9","0.2","566","2","566","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H84 O13 P6 Se12 Zn4 -","- C36 O13 P6 Se12 Zn4 -","- C108 O39 P18 Se36 Zn12 -","3","0.166667","","Liu, C. W.; Lobana, Tarlok S.; Santra, Bidyut K.; Hung, Chiu-Mine; Liu, Hong-Yuan; Liaw, Ben-Jie; Wang, Ju-Chun","Coordination chemistry of Group 12 metals with phosphorodiselenoates: syntheses, structures and VT 31P NMR study of monomer-dimer exchange equilibrium.","Dalton transactions (Cambridge, England : 2003)","2006","","4","560","570","10.1039/b510728h","","","0.71073","MoKα","","0.0918","0.0666","","","0.1276","0.1333","","","","","","1.04","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006456","12.891","0.002","13.336","0.002","13.584","0.002","112.847","0.003","105.662","0.003","108.246","0.003","1827.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H84 O13 P6 Se12 Zn4 -","- C36 H84 O13 P6 Se12 Zn4 -","- C36 H84 O13 P6 Se12 Zn4 -","1","0.5","","Liu, C. W.; Lobana, Tarlok S.; Santra, Bidyut K.; Hung, Chiu-Mine; Liu, Hong-Yuan; Liaw, Ben-Jie; Wang, Ju-Chun","Coordination chemistry of Group 12 metals with phosphorodiselenoates: syntheses, structures and VT 31P NMR study of monomer-dimer exchange equilibrium.","Dalton transactions (Cambridge, England : 2003)","2006","","4","560","570","10.1039/b510728h","","","0.71073","MoKα","","0.0914","0.0599","","","0.1441","0.168","","","","","","1.021","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006457","13.9524","0.0001","12.2423","0.0001","23.4412","0.0004","90","","95.909","0.001","90","","3982.7","0.08","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 F6 N9 O0.5 P Ru -","- C36 H33 F6 N9 O0.5 P Ru -","- C144 H132 F24 N36 O2 P4 Ru4 -","4","1","","Mulhern, Declan; Brooker, Sally; Görls, Helmar; Rau, Sven; Vos, Johannes G.","Synthesis of mononuclear and dinuclear ruthenium(II) tris(heteroleptic) complexes via photosubstitution in bis(carbonyl) precursors.","Dalton transactions (Cambridge, England : 2003)","2006","","1","51","57","10.1039/b510751b","","","0.71073","MoKα","","0.106","0.0599","","","0.1587","0.1872","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006458","16.2156","0.0004","13.8572","0.0004","14.8161","0.0004","90","","92.117","0.002","90","","3326.95","0.16","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 F6 N11 O P Ru -","- C32 H26 F6 N11 O P Ru -","- C128 H104 F24 N44 O4 P4 Ru4 -","4","1","","Mulhern, Declan; Brooker, Sally; Görls, Helmar; Rau, Sven; Vos, Johannes G.","Synthesis of mononuclear and dinuclear ruthenium(II) tris(heteroleptic) complexes via photosubstitution in bis(carbonyl) precursors.","Dalton transactions (Cambridge, England : 2003)","2006","","1","51","57","10.1039/b510751b","","","0.71073","MoKα","","0.0641","0.0492","","","0.1248","0.1377","","","","","","1.017","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006459","11.1155","0.0003","18.1355","0.0005","18.3079","0.0007","90","","95.932","0.001","90","","3670.8","0.2","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 F12 N6 O P2 Ru -","- C30 H36 F12 N6 O P2 Ru -","- C120 H144 F48 N24 O4 P8 Ru4 -","4","1","","Mulhern, Declan; Brooker, Sally; Görls, Helmar; Rau, Sven; Vos, Johannes G.","Synthesis of mononuclear and dinuclear ruthenium(II) tris(heteroleptic) complexes via photosubstitution in bis(carbonyl) precursors.","Dalton transactions (Cambridge, England : 2003)","2006","","1","51","57","10.1039/b510751b","","","0.71073","MoKα","","0.1455","0.0563","","","0.0988","0.1227","","","","","","0.943","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006460","16.0311","0.001","21.1386","0.0014","22.8833","0.0015","112.085","0.001","104.335","0.001","92.307","0.001","6884.7","0.8","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C119 H114 Cl10 F12 N12 O16 P4 Pt2 S4 -","- C119 H106 Cl10 F12 N12 O16 P4 Pt2 S4 -","- C238 H212 Cl20 F24 N24 O32 P8 Pt4 S8 -","2","1","","Beves, Jonathon E.; Chapman, Bodgan E.; Kuchel, Philip W.; Lindoy, Leonard F.; McMurtrie, John; McPartlin, Mary; Thordarson, Pall; Wei, Gang","New discrete metallocycles incorporating palladium(II) and platinum(II) corners and dipyridyldibenzotetraaza[14]annulene side units.","Dalton transactions (Cambridge, England : 2003)","2006","","5","744","750","10.1039/b510860h","","","0.71073","MoKα","","0.0859","0.0521","","","0.1433","0.1606","","","","","","1.05","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006461","5.6238","0.001","14.391","0.003","4.8615","0.0009","90","","90","","90","","393.45","0.13","294","2","294","2","","","","","","","","5","P m n 21","P 2ac -2","31","Cobalt phenylphosphonate hydrate","","","- C6 H7 Co O4 P -","- C6 H7 Co O4 P -","- C12 H14 Co2 O8 P2 -","2","0.5","","Salami, T. O.; Fan, X.; Zavalij, P. Y.; Oliver, S. R. J.","Hydrothermal synthesis and characterization of a layered cobalt phenylphosphonate, Co(PhPO3)(H2O).","Dalton transactions (Cambridge, England : 2003)","2006","","12","1574","1578","10.1039/b510942f","","","0.71073","MoKα","","0.0461","0.0394","","","0.0763","0.0778","","","","","","0.977","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006462","8.348","0.002","12.416","0.002","13.915","0.003","90","","90","","90","","1442.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","catena-((1,2-bis(4-pyridyl)ethane,N,N')-squarate-bis(aquo)- manganese(ii)) (1,2-bis(4-pyridyl)ethane) hydrated","catena-[(1,2-bis(4-pyridyl)ethane,N,N')-squarate-bis(aquo)-manganese(II)] (1,2-bis(4-pyridyl)ethane) hydrated","","- C28 H30 Mn N4 O7 -","- C28 H28 Mn N4 O7 -","- C56 H56 Mn2 N8 O14 -","2","0.5","","Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Zangrando, Ennio; Ribas, Joan; Chaudhuri, Nirmalendu Ray","Structural diversity in manganese squarate frameworks using N,N-donor chelating/bridging ligands: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1554","1563","10.1039/b510999j","","","0.71073","MoKα","","0.0517","0.0439","","","0.1045","0.1149","","","","","","1.06","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006463","12.37","0.003","21.786","0.004","12.571","0.003","90","","105.99","0.02","90","","3256.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-bis(bisaquo-(1,10-phenanthroline)-manganese(ii)- squarate)","catena-bis[bisaquo-(1,10-phenanthroline)-manganese(II)-squarate]","","- C32 H24 Mn2 N4 O12 -","- C32 H24 Mn2 N4 O12 -","- C128 H96 Mn8 N16 O48 -","4","1","","Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Zangrando, Ennio; Ribas, Joan; Chaudhuri, Nirmalendu Ray","Structural diversity in manganese squarate frameworks using N,N-donor chelating/bridging ligands: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1554","1563","10.1039/b510999j","","","1.54178","CuKα","","0.0969","0.0633","","","0.1649","0.1867","","","","","","1.021","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006464","10.017","0.003","11.446","0.004","13.4","0.004","92.59","0.02","101.83","0.02","110.98","0.02","1392.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena-(aquo-bis(1,10-phenanthroline)-manganese(ii)-squarate) tetrahydrate","catena-[aquo-bis(1,10-phenanthroline)-manganese(II)-squarate] tetrahydrate","","- C28 H26 Mn N4 O9 -","- C28 H24 Mn N4 O9 -","- C56 H48 Mn2 N8 O18 -","2","1","","Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Zangrando, Ennio; Ribas, Joan; Chaudhuri, Nirmalendu Ray","Structural diversity in manganese squarate frameworks using N,N-donor chelating/bridging ligands: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1554","1563","10.1039/b510999j","","","0.71073","Mokα","","0.0768","0.0439","","","0.102","0.1131","","","","","","0.894","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006465","8.7575","0.0015","20.964","0.004","17.009","0.003","90","","99.195","0.003","90","","3082.6","1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H44 Cl3 Cr N4 O18 -","- C16 H32 Cl3 Cr N4 O18 -","- C64 H128 Cl12 Cr4 N16 O72 -","4","1","","Lemma, Kelemu; Ellern, Arkady; Bakac, Andreja","Ligand effect on the kinetics of hydroperoxochromium(III)-oxochromium(V) transformation and the lifetime of chromium(V).","Dalton transactions (Cambridge, England : 2003)","2006","","1","58","63","10.1039/b511084j","","","0.71073","MoKα","","0.1185","0.0947","","","0.262","0.2798","","","","","","1.052","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006466","14.062","0.006","21.235","0.009","15.358","0.007","90","","109.426","0.008","90","","4325","3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 B20 Mo O2 Rh2 S4 -","- C26 H50 B20 Mo O2 Rh2 S4 -","- C104 H200 B80 Mo4 O8 Rh8 S16 -","4","1","","Cai, Shuyi; Lin, YueJian; Jin, Guo-Xin","Heterometallic cluster complexes (RhMo, RhW) containing bridging 1,2-dicarba-closo-dodecaborane-1,2-dichalocogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","7","912","918","10.1039/b511096c","","","0.71073","MoKα","","0.1768","0.0684","","","0.1283","0.1579","","","","","","0.8","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006467","14.245","0.006","21.417","0.008","15.405","0.006","90","","109.109","0.005","90","","4441","3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 B20 Mo O2 Rh2 Se4 -","- C26 H50 B20 Mo O2 Rh2 Se4 -","- C104 H200 B80 Mo4 O8 Rh8 Se16 -","4","1","","Cai, Shuyi; Lin, YueJian; Jin, Guo-Xin","Heterometallic cluster complexes (RhMo, RhW) containing bridging 1,2-dicarba-closo-dodecaborane-1,2-dichalocogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","7","912","918","10.1039/b511096c","","","0.71073","MoKα","","0.0696","0.0358","","","0.0681","0.0738","","","","","","0.852","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006468","14.009","0.003","14.741","0.003","17.82","0.004","95.758","0.003","101.716","0.004","91.477","0.004","3581.1","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H35 B20 Mo O2 Rh S4 -","- C16 H35 B20 Mo O2 Rh S4 -","- C64 H140 B80 Mo4 O8 Rh4 S16 -","4","2","","Cai, Shuyi; Lin, YueJian; Jin, Guo-Xin","Heterometallic cluster complexes (RhMo, RhW) containing bridging 1,2-dicarba-closo-dodecaborane-1,2-dichalocogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","7","912","918","10.1039/b511096c","","","0.71073","MoKα","","0.1896","0.0599","","","0.0777","0.0999","","","","","","0.728","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006469","11.4048","0.0002","12.8147","0.0003","14.1353","0.0003","108.259","0.001","97.21","0.001","110.739","0.001","1768.5","0.07","150","","150","","","","","","","","C. Milios/E. Brechin, Reaction CM122","6","P -1","-P 1","2","","","","- C50 H94 Br4 Mn8 N2 O24 -","- C50 H94 Br4 Mn8 N2 O24 -","- C50 H94 Br4 Mn8 N2 O24 -","1","0.5","","Milios, Constantinos J.; Fabbiani, Francesca P. A.; Parsons, Simon; Murugesu, Muralee; Christou, George; Brechin, Euan K.","1,1,1-Tris(hydroxymethyl)propane in manganese carboxylate chemistry: synthesis, structure and magnetic properties of a mixed-valence [MnIII4MnII4] cluster featuring the novel [MnIII4MnII4(mu3-OR)6(mu2-OR)8]6+ core.","Dalton transactions (Cambridge, England : 2003)","2006","","2","351","356","10.1039/b511258c","","","0.71073","MoKα","","0.0881","0.0483","","0.1667","0.1236","0.1667","","","","","","1.0035","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006470","13.156","0.007","15.38","0.009","7.529","0.002","93.94","0.03","101.77","0.03","113.09","0.05","1353.1","1.3","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 Cu4 Fe3 I4 N12 -","- C54 H42 Cu4 Fe3 I4 N12 -","- C54 H42 Cu4 Fe3 I4 N12 -","1","0.5","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.7107","MoKα","","","0.0915","","","","0.2191","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006471","9.384","0.003","11.056","0.004","27.821","0.01","90","","90","","90","","2886.4","1.7","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Fe N4 -","- C18 H14 Fe N4 -","- C144 H112 Fe8 N32 -","8","1","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.7107","MoKα","","","0.039","","","","0.114","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006472","19.5306","0.0019","5.9972","0.0006","12.6084","0.0013","90","","90","","90","","1476.8","0.3","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,1'-(2-pyrimidyl)ferrocene","1,1'-(2-pyrimidyl)ferrocene","","- C18 H14 Fe N4 -","- C18 H14 Fe N4 -","- C72 H56 Fe4 N16 -","4","1","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.71073","MoKα","","0.0355","0.0325","","","0.0831","0.0852","","","","","","1.065","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006473","12.7964","0.0009","13.3969","0.0009","14.1537","0.001","65.381","0.002","72.522","0.001","76.844","0.002","2089.2","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H34 Cu2 Fe N4 O8 -","- C46 H34 Cu2 Fe N4 O8 -","- C92 H68 Cu4 Fe2 N8 O16 -","2","1","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.71073","MoKα","","0.0719","0.0429","","","0.0977","0.1108","","","","","","1.004","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006474","13.3978","0.0009","22.6166","0.0015","14.4661","0.001","90","","96.918","0.002","90","","4351.5","0.5","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H116 Cu4 Fe2 N8 O16 -","- C84 H98 Cu4 Fe2 N8 O16 -","- C168 H196 Cu8 Fe4 N16 O32 -","2","0.5","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.71073","MoKα","","0.0546","0.0419","","","0.1208","0.1298","","","","","","1.05","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006475","10.6142","0.0006","11.3799","0.0006","17.5157","0.0009","96.26","0.001","101.248","0.001","106.504","0.001","1958.91","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Pz2CuOAc","","","- C66 H77 Cu6 Fe2 N11 O26 -","- C66 H70 Cu6 Fe2 N11 O26 -","- C66 H70 Cu6 Fe2 N11 O26 -","1","0.5","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.71073","MoKα","","0.0462","0.0365","","","0.1016","0.1078","","","","","","1.052","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006476","7.907","0.0007","12.3062","0.001","12.9616","0.0011","75.626","0.002","74.13","0.002","87.774","0.002","1174.61","0.17","273","2","273","2","","","","","","","","7","P -1","-P 1","2","Fc(Pyz)2AgClO4","Fc(Pyz)2AgClO4","","- C48 H40 Ag2 Cl2 Fe2 N8 O8 -","- C48 H40 Ag2 Cl2 Fe2 N8 O8 -","- C48 H40 Ag2 Cl2 Fe2 N8 O8 -","1","0.5","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.71073","MoKα","","0.124","0.0476","","","0.0887","0.1109","","","","","","0.909","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006477","14.1873","0.0015","14.2776","0.0015","20.081","0.002","90","","102.238","0.002","90","","3975.2","0.7","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","PzClO4Cl","","","- C36 H28 Ag2 Cl2 Fe2 N8 O8 -","- C36 H28 Ag2 Cl2 Fe2 N8 O8 -","- C144 H112 Ag8 Cl8 Fe8 N32 O32 -","4","1","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.71073","MoKα","","0.3094","0.0956","","","0.2471","0.3289","","","","","","1.005","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006478","8.1428","0.0012","10.4419","0.0016","12.6662","0.0019","69.139","0.003","84.507","0.003","85.8","0.003","1000.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Fc(Pyz)2AgNO3","Fc(Pyz)2AgNO3","","- C42 H34 Ag2 Fe2 N10 O6 -","- C42 H34 Ag2 Fe2 N10 O6 -","- C42 H34 Ag2 Fe2 N10 O6 -","1","0.5","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.71073","MoKα","","0.0658","0.045","","","0.1079","0.1189","","","","","","1.024","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006479","20.7418","0.001","13.2726","0.0007","14.9841","0.0007","90","","98.044","0.001","90","","4084.5","0.3","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42 H33 Ag2 Cl Fe N10 O6 -","- C42 H33 Ag2 Cl Fe2 N10 O6 -","- C168 H132 Ag8 Cl4 Fe8 N40 O24 -","4","1","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.71073","MoKα","","0.0436","0.0406","","","0.1119","0.1152","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006480","20.5823","0.0011","13.2444","0.0007","14.9704","0.0008","90","","97.612","0.001","90","","4045","0.4","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C43 H36 Ag2 Fe2 N10 O6 -","- C43 H33 Ag2 Fe2 N10 O6 -","- C172 H132 Ag8 Fe8 N40 O24 -","4","1","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.71073","MoKα","","0.042","0.0382","","","0.0914","0.094","","","","","","1.039","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006481","14.176","0.004","14.414","0.004","20.314","0.005","90","","103.132","0.005","90","","4042.3","1.9","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Ag2 F12 Fe2 N8 P2 -","- C36 H28 Ag2 F12 Fe2 N8 P2 -","- C144 H112 Ag8 F48 Fe8 N32 P8 -","4","1","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.71073","MoKα","","0.2028","0.0807","","","0.1821","0.2209","","","","","","1.053","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006482","11.867","0.007","15.421","0.003","15.174","0.005","90","","92.48","0.02","90","","2774","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F6 N2 Ni O4 S2 -","- C22 H24 F6 N2 Ni O4 S2 -","- C88 H96 F24 N8 Ni4 O16 S8 -","4","1","","Malandrino, Graziella; Perdicaro, Laura M. S.; Condorelli, Giuseppe; Fragalà, Ignazio L; Rossi, Patrizia; Dapporto, Paolo","Synthesis, characterization and application of Ni(tta)2.tmeda to MOCVD of nickel oxide thin films.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1101","1106","10.1039/b511317b","","","0.71069","MoKα","","0.2519","0.0837","","","0.1426","0.1882","","","","","","0.861","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006483","8.872","0.009","11.883","0.013","15.842","0.017","90","","99.743","0.01","90","","1646","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H29 Eu N12 O9 -","- C26 H29 Eu N12 O9 -","- C52 H58 Eu2 N24 O18 -","2","0.5","","Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles","Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).","Dalton transactions (Cambridge, England : 2003)","2006","","13","1645","1653","10.1039/b511321k","","","0.71073","MoKα","","0.098","0.093","","0.2245","0.2178","","","","1.1","1.102","1.102","","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006484","7.881","0.009","8.831","0.009","8.889","0.009","112.13","0.01","96.06","0.01","90.19","0.01","569.2","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 N8 -","- C24 H26 N8 -","- C24 H26 N8 -","1","0.5","","Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles","Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).","Dalton transactions (Cambridge, England : 2003)","2006","","13","1645","1653","10.1039/b511321k","","","0.71073","MoKα","","0.1721","0.0798","","0.1921","0.1669","","","","1.026","1.342","1.342","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006485","12.156","0.014","15.004","0.017","19.42","0.022","90","","90.133","0.01","90","","3542","7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H40 N8 O0.5 -","- C32.5 H40 N8 O0.5 -","- C130 H160 N32 O2 -","4","1","","Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles","Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).","Dalton transactions (Cambridge, England : 2003)","2006","","13","1645","1653","10.1039/b511321k","","","0.71073","MoKα","","0.1643","0.1299","","0.3957","0.3659","","","","1.097","1.257","1.257","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006486","8.853","0.009","12.008","0.014","15.904","0.017","90","","99.885","0.01","90","","1666","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H28 La N11 O10 -","- C24 H26 La N11 O10 -","- C48 H52 La2 N22 O20 -","2","0.5","","Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles","Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).","Dalton transactions (Cambridge, England : 2003)","2006","","13","1645","1653","10.1039/b511321k","","","0.71073","MoKα","","0.1462","0.1063","","0.2517","0.2186","","","","1.204","1.266","1.266","","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006487","8.859","0.009","11.992","0.013","15.897","0.017","90","","99.834","0.01","90","","1664","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H28 Ce N11 O10 -","- C24 H26 Ce N11 O10 -","- C48 H52 Ce2 N22 O20 -","2","0.5","","Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles","Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).","Dalton transactions (Cambridge, England : 2003)","2006","","13","1645","1653","10.1039/b511321k","","","0.71073","MoKα","","0.1447","0.1202","","0.3225","0.3036","","","","1.086","1.138","1.138","","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006488","8.809","0.009","11.928","0.013","15.846","0.018","90","","99.983","0.01","90","","1640","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H29 N11 O10.5 Pr -","- C24 H26 N11 O10.5 Pr -","- C48 H52 N22 O21 Pr2 -","2","0.5","","Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles","Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).","Dalton transactions (Cambridge, England : 2003)","2006","","13","1645","1653","10.1039/b511321k","","","0.71073","MoKα","","0.0381","0.0363","","0.0938","0.0928","","","","1.182","1.193","1.193","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006489","8.826","0.009","11.906","0.012","15.829","0.017","90","","99.983","0.01","90","","1638","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H28 N11 Nd O10 -","- C24 H26 N11 Nd O10 -","- C48 H52 N22 Nd2 O20 -","2","0.5","","Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles","Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).","Dalton transactions (Cambridge, England : 2003)","2006","","13","1645","1653","10.1039/b511321k","","","0.71073","MoKα","","0.0381","0.0357","","0.0969","0.0956","","","","1.148","1.163","1.163","","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006490","8.82","0.009","11.867","0.012","15.813","0.017","90","","99.985","0.01","90","","1630","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H28 N11 O10 Sm -","- C24 H26 N11 O10 Sm -","- C48 H52 N22 O20 Sm2 -","2","0.5","","Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles","Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).","Dalton transactions (Cambridge, England : 2003)","2006","","13","1645","1653","10.1039/b511321k","","","0.71073","MoKα","","0.0353","0.0326","","0.108","0.0963","","","","1.478","1.501","1.501","","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006491","9.988","0.012","10.147","0.014","16.915","0.018","92.495","0.01","95.369","0.01","106.592","0.01","1631","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 Dy N12 O9 -","- C26 H29 Dy N12 O9 -","- C52 H58 Dy2 N24 O18 -","2","1","","Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles","Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).","Dalton transactions (Cambridge, England : 2003)","2006","","13","1645","1653","10.1039/b511321k","","","0.71073","MoKα","","0.0705","0.0611","","0.1467","0.1436","","","","1.355","1.411","1.411","","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006492","9.998","0.012","10.142","0.014","16.836","0.018","92.403","0.01","95.251","0.01","106.591","0.01","1625","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 Ho N12 O9 -","- C26 H29 Ho N12 O9 -","- C52 H58 Ho2 N24 O18 -","2","1","","Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles","Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).","Dalton transactions (Cambridge, England : 2003)","2006","","13","1645","1653","10.1039/b511321k","","","0.71073","MoKα","","0.0418","0.0393","","0.1053","0.1009","","","","0.856","0.843","0.843","","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006493","10.054","0.014","10.202","0.014","16.868","0.018","92.503","0.01","94.855","0.01","106.749","0.01","1647","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 Er N12 O9 -","- C26 H29 Er N12 O9 -","- C52 H58 Er2 N24 O18 -","2","1","","Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles","Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).","Dalton transactions (Cambridge, England : 2003)","2006","","13","1645","1653","10.1039/b511321k","","","0.71073","MoKα","","0.0812","0.0755","","0.2021","0.1988","","","","1.169","1.195","1.195","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006494","7.733","0.009","22.614","0.024","18.073","0.019","90","","92.105","0.01","90","","3158","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N11 O11 Yb -","- C24 H26 N11 O11 Yb -","- C96 H104 N44 O44 Yb4 -","4","1","","Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles","Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).","Dalton transactions (Cambridge, England : 2003)","2006","","13","1645","1653","10.1039/b511321k","","","0.71073","MoKα","","0.0507","0.0456","","0.0922","0.09","","","","1.25","1.265","1.265","","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006495","7.736","0.009","22.66","0.024","18.083","0.019","90","","92.137","0.01","90","","3168","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Lu N11 O11 -","- C24 H26 Lu N11 O11 -","- C96 H104 Lu4 N44 O44 -","4","1","","Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles","Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).","Dalton transactions (Cambridge, England : 2003)","2006","","13","1645","1653","10.1039/b511321k","","","0.71073","MoKα","","0.0709","0.0592","","0.1213","0.1179","","","","1.274","1.337","1.337","","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006496","10.04","0.011","10.168","0.012","16.869","0.014","92.459","0.01","95.228","0.01","106.756","0.01","1638","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N12 O9 Y -","- C26 H29 N12 O9 Y -","- C52 H58 N24 O18 Y2 -","2","1","","Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles","Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).","Dalton transactions (Cambridge, England : 2003)","2006","","13","1645","1653","10.1039/b511321k","","","0.71073","MoKα","","0.1337","0.1144","","0.3109","0.2899","","","","1.058","1.118","1.118","","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006497","21.808","0.004","13.871","0.003","20.504","0.004","90","","114.97","0.03","90","","5623","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 Ga K N4 P4 -","- C56 H72 Ga K N4 P4 -","- C224 H288 Ga4 K4 N16 P16 -","4","1","","Baker, Robert J.; Jones, Cameron; Mills, David P.; Murphy, Damien M.; Hey-Hawkins, Evamarie; Wolf, Robert","The reactivity of gallium-(I), -(II) and -(III) heterocycles towards Group 15 substrates: attempts to prepare gallium-terminal pnictinidene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","64","72","10.1039/b511451a","","","0.71073","MoKα","","0.1131","0.0947","","","0.2364","0.2459","","","","","","1.117","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006498","20.663","0.004","14.23","0.003","35.603","0.007","90","","101.76","0.03","90","","10249","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H79 Ga K N6 O -","- C51 H72 Ga K N6 O -","- C408 H576 Ga8 K8 N48 O8 -","8","1","","Baker, Robert J.; Jones, Cameron; Mills, David P.; Murphy, Damien M.; Hey-Hawkins, Evamarie; Wolf, Robert","The reactivity of gallium-(I), -(II) and -(III) heterocycles towards Group 15 substrates: attempts to prepare gallium-terminal pnictinidene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","64","72","10.1039/b511451a","","","0.71073","MoKα","","0.1293","0.0797","","","0.1526","0.1722","","","","","","1.031","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006499","15.592","0.003","21.742","0.004","17.818","0.004","90","","102.34","0.03","90","","5901","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H90 Ga2 N6 Si2 -","- C58 H90 Ga2 N6 Si2 -","- C232 H360 Ga8 N24 Si8 -","4","1","","Baker, Robert J.; Jones, Cameron; Mills, David P.; Murphy, Damien M.; Hey-Hawkins, Evamarie; Wolf, Robert","The reactivity of gallium-(I), -(II) and -(III) heterocycles towards Group 15 substrates: attempts to prepare gallium-terminal pnictinidene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","64","72","10.1039/b511451a","","","0.71073","MoKα","","0.0856","0.0516","","","0.1022","0.1128","","","","","","1.049","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006500","10.088","0.002","49.646","0.01","22.378","0.005","90","","97.94","0.03","90","","11100","4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H82.5 Ga I2 Li N2 O2 P -","- C52 H82.5 Ga I2 Li N2 O2 P -","- C416 H660 Ga8 I16 Li8 N16 O16 P8 -","8","2","","Baker, Robert J.; Jones, Cameron; Mills, David P.; Murphy, Damien M.; Hey-Hawkins, Evamarie; Wolf, Robert","The reactivity of gallium-(I), -(II) and -(III) heterocycles towards Group 15 substrates: attempts to prepare gallium-terminal pnictinidene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","64","72","10.1039/b511451a","","","0.71073","MoKα","","0.1411","0.0663","","","0.1283","0.1528","","","","","","1.022","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006501","11.127","0.002","18.27","0.004","24.459","0.005","90","","94.49","0.03","90","","4957","1.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H82 Ga N4 P -","- C53 H82 Ga N4 P -","- C212 H328 Ga4 N16 P4 -","4","1","","Baker, Robert J.; Jones, Cameron; Mills, David P.; Murphy, Damien M.; Hey-Hawkins, Evamarie; Wolf, Robert","The reactivity of gallium-(I), -(II) and -(III) heterocycles towards Group 15 substrates: attempts to prepare gallium-terminal pnictinidene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","64","72","10.1039/b511451a","","","0.71073","MoKα","","0.0991","0.0698","","","0.1461","0.1581","","","","","","1.057","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006502","13.198","0.004","21.76","0.005","13.41","0.004","90","","102.438","0.004","90","","3760.8","1.8","123.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 B10 N4 O5 -","- C32 H52 B10 N4 O5 -","- C128 H208 B40 N16 O20 -","4","1","","Iwahori, Fumiyasu; Nishikawa, Yoshikazu; Mori, Ken-ichiro; Yamashita, Masahiro; Abe, Jiro","Synthesis, crystal structure and magnetic properties of o-carboranyl nitronyl nitroxide biradical: a prototype of a three-dimensional analogue of o-benzoquinodimethane.","Dalton transactions (Cambridge, England : 2003)","2006","","3","473","477","10.1039/b511579e","","","0.7107","MoKα","","","0.07","","","","0.1485","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006503","9.827","0.005","15.393","0.006","31.677","0.008","90","","93.95","0.02","90","","4780","3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H78 O8 Yb -","- C46 H78 O8 Yb -","- C184 H312 O32 Yb4 -","4","1","","Deacon, Glen B.; Fallon, Gary D.; Forsyth, Craig M.; Harris, Stuart C.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Manipulation of reaction pathways in redox transmetallation-ligand exchange syntheses of lanthanoid(II)/(III) aryloxide complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","6","802","812","10.1039/b511609k","","","0.71073","MoKα","","0.063","0.047","","","0.045","0.086","","","","1.18","1.18","1.18","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006504","9.894","0.002","25.581","0.008","15.606","0.008","90","","91.63","0.03","90","","3948","3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H126 Er2 O14 -","- C76 H126 Er2 O14 -","- C152 H252 Er4 O28 -","2","0.5","","Deacon, Glen B.; Fallon, Gary D.; Forsyth, Craig M.; Harris, Stuart C.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Manipulation of reaction pathways in redox transmetallation-ligand exchange syntheses of lanthanoid(II)/(III) aryloxide complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","6","802","812","10.1039/b511609k","","","0.71073","MoKα","","0.063","0.037","","0.062","","0.049","","","1.06","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006505","15.049","0.003","19.045","0.004","32.23","0.006","90","","95.77","0.03","90","","9191","3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pentafluorotetrakis(2,6-di-tert-butyl-4- methoxyphenolato)tetrakis (tetrahydrofuran)trierbium(iii).tetrahydrofuran.hexane","pentafluorotetrakis(2,6-di-tert-butyl-4-methoxyphenolato)tetrakis (tetrahydrofuran)trierbium(III).tetrahydrofuran.hexane","","- C83 H139 Er3 F5 O13 -","- C83 H139 Er3 F5 O13 -","- C332 H556 Er12 F20 O52 -","4","1","","Deacon, Glen B.; Fallon, Gary D.; Forsyth, Craig M.; Harris, Stuart C.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Manipulation of reaction pathways in redox transmetallation-ligand exchange syntheses of lanthanoid(II)/(III) aryloxide complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","6","802","812","10.1039/b511609k","","","0.71073","MoKα","","0.1404","0.0694","","","0.1464","0.1759","","","","","","1.014","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006506","16.852","0.005","16.437","0.006","19.084","0.01","90","","90.94","0.04","90","","5285","4","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H85 Ho O8 -","- C53 H85 Ho O8 -","- C212 H340 Ho4 O32 -","4","1","","Deacon, Glen B.; Fallon, Gary D.; Forsyth, Craig M.; Harris, Stuart C.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Manipulation of reaction pathways in redox transmetallation-ligand exchange syntheses of lanthanoid(II)/(III) aryloxide complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","6","802","812","10.1039/b511609k","","","0.71073","MoKα","","0.123","0.059","","0.067","","0.056","","","1.209","","","1.314","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006507","16.019","0.003","15.34","0.003","19.799","0.01","90","","94.1","0.03","90","","4853","3","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H78 O8 Sm -","- C46 H78 O8 Sm -","- C184 H312 O32 Sm4 -","4","1","","Deacon, Glen B.; Fallon, Gary D.; Forsyth, Craig M.; Harris, Stuart C.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Manipulation of reaction pathways in redox transmetallation-ligand exchange syntheses of lanthanoid(II)/(III) aryloxide complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","6","802","812","10.1039/b511609k","","","0.71073","MoKα","","0.135","0.062","","0.107","","0.078","","","1.225","","","1.306","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006508","17.111","0.005","18.392","0.003","17.722","0.008","90","","116.88","0.03","90","","4975","3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H79 O8 Sm -","- C49 H79 O8 Sm -","- C196 H316 O32 Sm4 -","4","1","","Deacon, Glen B.; Fallon, Gary D.; Forsyth, Craig M.; Harris, Stuart C.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Manipulation of reaction pathways in redox transmetallation-ligand exchange syntheses of lanthanoid(II)/(III) aryloxide complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","6","802","812","10.1039/b511609k","","","0.71073","MoKα","","0.127","0.056","","0.095","","0.069","","","1.21","","","1.241","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006509","28.49","0.03","28.49","0.03","10.21","0.01","90","","90","","120","","7177","13","300","2","300","2","","","","","","","","4","P 61","P 61","169","","","","- C47.5 H70.5 Er O6 -","- C47.5 H70.5 Er O6 -","- C285 H423 Er6 O36 -","6","1","","Deacon, Glen B.; Fallon, Gary D.; Forsyth, Craig M.; Harris, Stuart C.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Manipulation of reaction pathways in redox transmetallation-ligand exchange syntheses of lanthanoid(II)/(III) aryloxide complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","6","802","812","10.1039/b511609k","","","0.71073","MoKα","","0.08","0.048","","0.052","","0.041","","","1.076","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006510","16.824","0.006","16.409","0.009","19.187","0.005","90","","90.97","0.02","90","","5296","4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H85 Nd O8 -","- C53 H85 Nd O8 -","- C212 H340 Nd4 O32 -","4","1","","Deacon, Glen B.; Fallon, Gary D.; Forsyth, Craig M.; Harris, Stuart C.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Manipulation of reaction pathways in redox transmetallation-ligand exchange syntheses of lanthanoid(II)/(III) aryloxide complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","6","802","812","10.1039/b511609k","","","0.71073","MoKα","","0.128","0.045","","0.067","","0.045","","","1.173","","","1.183","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006511","8.8821","0.0006","12.2768","0.0009","29.03","0.002","90","","97.235","0.002","90","","3140.3","0.4","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Cl2 F6 N4 O P Pt1.5 -","- C27 H30 Cl2 F6 N4 O P Pt1.5 -","- C108 H120 Cl8 F24 N16 O4 P4 Pt6 -","4","1","","Poater, Albert; Moradell, Silvia; Pinilla, Elena; Poater, Jordi; Solà, Miquel; Martínez, M Angeles; Llobet, Antoni","A trinuclear Pt(II) compound with short Pt-Pt-Pt contacts. An analysis of the influence of pi-pi stacking interactions on the strength and length of the Pt-Pt bond.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1188","1196","10.1039/b511625m","","","0.71073","MoKα","","0.094","0.0551","","","0.1412","0.1527","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006512","7.311","0.005","16.795","0.01","12.823","0.008","90","","91.026","0.01","90","","1574.3","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Mo N2 O6 -","- C14 H12 Mo N2 O6 -","- C56 H48 Mo4 N8 O24 -","4","1","","García-Rodríguez, Raúl; Miguel, Daniel","Molybdenum carbonyl complexes with pyridylimino acidato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1218","1225","10.1039/b511637f","","","0.71073","MoKα","","0.0419","0.0271","","","0.0492","0.0522","","","","","","1.048","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006513","9.094","0.003","10.836","0.003","12.111","0.004","91.259","0.005","109.767","0.005","109.143","0.004","1049.1","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H21 Mo N3 O6 -","- C18 H21 Mo N3 O6 -","- C36 H42 Mo2 N6 O12 -","2","2","","García-Rodríguez, Raúl; Miguel, Daniel","Molybdenum carbonyl complexes with pyridylimino acidato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1218","1225","10.1039/b511637f","","","0.71073","MoKα","","0.0699","0.0509","","","0.1289","0.1427","","","","","","1.038","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006514","6.6553","0.0012","15.676","0.003","15.454","0.003","90","","99.916","0.004","90","","1588.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Mo N2 O4 -","- C14 H14 Mo N2 O4 -","- C56 H56 Mo4 N8 O16 -","4","1","","García-Rodríguez, Raúl; Miguel, Daniel","Molybdenum carbonyl complexes with pyridylimino acidato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1218","1225","10.1039/b511637f","","","0.71073","MoKα","","0.0448","0.0336","","","0.082","0.0876","","","","","","1.049","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006515","10.4015","0.0013","15.754","0.002","10.818","0.0014","90","","108.019","0.002","90","","1685.8","0.4","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Mo N2 O4 -","- C17 H12 Mo N2 O4 -","- C68 H48 Mo4 N8 O16 -","4","1","","García-Rodríguez, Raúl; Miguel, Daniel","Molybdenum carbonyl complexes with pyridylimino acidato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1218","1225","10.1039/b511637f","","","0.71073","MoKα","","0.0395","0.0251","","","0.0526","0.056","","","","","","1.016","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006516","17.481","0.008","11.553","0.006","20.934","0.01","90","","98.4","0.02","90","","4182","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 Mo N3 O6 -","- C18 H21 Mo N3 O6 -","- C144 H168 Mo8 N24 O48 -","8","1","","García-Rodríguez, Raúl; Miguel, Daniel","Molybdenum carbonyl complexes with pyridylimino acidato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1218","1225","10.1039/b511637f","","","0.71073","MoKα","","0.0464","0.0349","","","0.0923","0.0984","","","","","","1.063","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006517","6.654","0.0012","8.3742","0.0015","21.538","0.004","86.669","0.003","87.253","0.003","69.782","0.004","1123.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Mo N3 O6 -","- C22 H21 Mo N3 O6 -","- C44 H42 Mo2 N6 O12 -","2","1","","García-Rodríguez, Raúl; Miguel, Daniel","Molybdenum carbonyl complexes with pyridylimino acidato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1218","1225","10.1039/b511637f","","","0.71073","MoKα","","0.0274","0.0253","","","0.0709","0.0802","","","","","","1.092","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006518","15.71","0.006","6.746","0.003","43.915","0.017","90","","90.26","0.006","90","","4654","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21.6 Mo N3 O6.3 -","- C22 H21.6 Mo N3 O6.3 -","- C176 H172.8 Mo8 N24 O50.4 -","8","1","","García-Rodríguez, Raúl; Miguel, Daniel","Molybdenum carbonyl complexes with pyridylimino acidato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1218","1225","10.1039/b511637f","","","0.71073","MoKα","","0.089","0.0808","","","0.1791","0.1896","","","","","","1.43","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006519","24.17","0.03","10.648","0.011","16.561","0.017","90","","102.79","0.02","90","","4156","8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17.1 H10.2 Cl0.2 Mo N2 O6 -","- C17.1 H10.2 Cl0.2 Mo N2 O6 -","- C136.8 H81.6 Cl1.6 Mo8 N16 O48 -","8","1","","García-Rodríguez, Raúl; Miguel, Daniel","Molybdenum carbonyl complexes with pyridylimino acidato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1218","1225","10.1039/b511637f","","","0.71073","MoKα","","0.2523","0.0871","","","0.1765","0.2065","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006520","35.748","0.004","9.237","0.001","25.145","0.003","90","","118.473","0.002","90","","7298.7","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 Fe N4 O6 -","- C40 H42 Fe N4 O6 -","- C320 H336 Fe8 N32 O48 -","8","1","","Zhang, Bing-guang; Xu, Jian; Zhao, Yong-gang; Duan, Chun-ying; Cao, Xin; Meng, Qing-jin","Host-guest complexation of a fluorescent and electrochemical chemsensor for fluoride anion.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1271","1276","10.1039/b511695c","","","0.71073","MoKα","","0.1753","0.0544","","","0.0652","0.0825","","","","","","1.007","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006521","15.443","0.004","9.9217","0.0014","16.375","0.005","90","","116.78","0.02","90","","2239.9","1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,3,6,7-Tetrathiapentalene-2,5-bisthione - diiodine","1,3,6,7-Tetrathiapentalene-2,5-bisthione - diiodine","","- C4 I2 S6 -","- C4 I2 S6 -","- C32 I16 S48 -","8","1","","Beck, Johannes; Daniels, Jörg; Roloff, Albrecht; Wagner, Norbert","Isomers among the carbon sulfides C4S6‒synthesis and crystal structures of alpha,alpha-C4S6, alpha,beta-C4S6, and of a second polymorph of the diiodine adduct alpha,beta-C4S6.I2.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1174","1180","10.1039/b511746a","","","1.54184","CuKα","","0.0554","0.0455","","","0.1141","0.1197","","","","","","1.041","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006522","7.6437","0.0012","10.4593","0.0012","9.901","0.0012","90","","105.92","0.03","90","","761.2","0.2","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,3,6,7-Tetrathiapentalene-2,5-bisthione","1,3,6,7-Tetrathiapentalene-2,5-bisthione","","- C4 S6 -","- C4 S6 -","- C16 S24 -","4","1","","Beck, Johannes; Daniels, Jörg; Roloff, Albrecht; Wagner, Norbert","Isomers among the carbon sulfides C4S6‒synthesis and crystal structures of alpha,alpha-C4S6, alpha,beta-C4S6, and of a second polymorph of the diiodine adduct alpha,beta-C4S6.I2.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1174","1180","10.1039/b511746a","","","0.71073","MoKα","","0.0675","0.0604","","","0.1001","0.1019","","","","","","1.309","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006523","5.805","0.0002","6.6377","0.0003","10.431","0.0005","90","","102.546","0.002","90","","392.33","0.03","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","1,3-dithiolo-(4,5-d)-1,3-dithol-2,5-dithione","1,3-dithiolo-(4,5-d)-1,3-dithol-2,5-dithione","","- C4 S6 -","- C2 S3 -","- C8 S12 -","4","1","","Beck, Johannes; Daniels, Jörg; Roloff, Albrecht; Wagner, Norbert","Isomers among the carbon sulfides C4S6‒synthesis and crystal structures of alpha,alpha-C4S6, alpha,beta-C4S6, and of a second polymorph of the diiodine adduct alpha,beta-C4S6.I2.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1174","1180","10.1039/b511746a","","","0.71073","MoKα","","0.0282","0.0245","","","0.0612","0.0633","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006524","17.8609","0.0002","8.3732","0.0001","23.1179","0.0002","90","","97.3494","0.0003","90","","3428.94","0.06","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 Cl2 N3 Ti -","- C14 H21 Cl2 N3 Ti -","- C112 H168 Cl16 N24 Ti8 -","8","1","","Tamm, Matthias; Randoll, Sören; Herdtweck, Eberhardt; Kleigrewe, Nina; Kehr, Gerald; Erker, Gerhard; Rieger, Bernhard","Imidazolin-2-iminato titanium complexes: synthesis, structure and use in ethylene polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","3","459","467","10.1039/b511752f","","","0.71073","MoKα","","0.0332","0.0298","","","0.077","0.0791","","","","","","1.034","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006525","18.0659","0.0002","11.273","0.0001","18.2918","0.0002","90","","90","","90","","3725.25","0.07","123","1","123","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H25 Cl2 N3 Ti -","- C16 H25 Cl2 N3 Ti -","- C128 H200 Cl16 N24 Ti8 -","8","1","","Tamm, Matthias; Randoll, Sören; Herdtweck, Eberhardt; Kleigrewe, Nina; Kehr, Gerald; Erker, Gerhard; Rieger, Bernhard","Imidazolin-2-iminato titanium complexes: synthesis, structure and use in ethylene polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","3","459","467","10.1039/b511752f","","","0.71073","MoKα","","0.0412","0.0346","","","0.0811","0.0848","","","","","","1.029","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006526","12.8096","0.0001","18.563","0.0002","15.5127","0.0002","90","","90.8894","0.0005","90","","3688.24","0.07","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 Cl2 N3 Ti -","- C39 H49 Cl2 N3 Ti -","- C156 H196 Cl8 N12 Ti4 -","4","1","","Tamm, Matthias; Randoll, Sören; Herdtweck, Eberhardt; Kleigrewe, Nina; Kehr, Gerald; Erker, Gerhard; Rieger, Bernhard","Imidazolin-2-iminato titanium complexes: synthesis, structure and use in ethylene polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","3","459","467","10.1039/b511752f","","","0.71073","MoKα","","0.0544","0.0444","","","0.0896","0.0934","","","","","","1.12","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006527","8.8141","0.0001","17.2213","0.0002","15.1835","0.0002","90","","104.329","0.0005","90","","2233","0.05","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 Cl2 N3 Ti -","- C20 H33 Cl2 N3 Ti -","- C80 H132 Cl8 N12 Ti4 -","4","1","","Tamm, Matthias; Randoll, Sören; Herdtweck, Eberhardt; Kleigrewe, Nina; Kehr, Gerald; Erker, Gerhard; Rieger, Bernhard","Imidazolin-2-iminato titanium complexes: synthesis, structure and use in ethylene polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","3","459","467","10.1039/b511752f","","","0.71073","MoKα","","0.0568","0.0445","","","0.0877","0.0916","","","","","","1.11","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006528","18.4995","0.0001","16.2737","0.0001","18.6379","0.0001","90","","90","","90","","5611.04","0.05","173","1","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H46 N6 Ti -","- C24 H46 N6 Ti -","- C192 H368 N48 Ti8 -","8","1","","Tamm, Matthias; Randoll, Sören; Herdtweck, Eberhardt; Kleigrewe, Nina; Kehr, Gerald; Erker, Gerhard; Rieger, Bernhard","Imidazolin-2-iminato titanium complexes: synthesis, structure and use in ethylene polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","3","459","467","10.1039/b511752f","","","0.71073","MoKα","","0.0432","0.0358","","","0.094","0.0984","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006529","11.0252","0.0001","10.1497","0.0001","16.7456","0.0002","90","","90.3793","0.0005","90","","1873.83","0.03","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 N3 Ti -","- C18 H31 N3 Ti -","- C72 H124 N12 Ti4 -","4","1","","Tamm, Matthias; Randoll, Sören; Herdtweck, Eberhardt; Kleigrewe, Nina; Kehr, Gerald; Erker, Gerhard; Rieger, Bernhard","Imidazolin-2-iminato titanium complexes: synthesis, structure and use in ethylene polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","3","459","467","10.1039/b511752f","","","0.71073","MoKα","","0.0381","0.0311","","","0.076","0.0796","","","","","","1.024","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006530","14.509","0.0001","23.678","0.0003","14.747","0.0001","90","","90.876","0.0007","90","","5065.65","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 N15 O11 Sm W -","- C37 H38 N15 O11 Sm W -","- C148 H152 N60 O44 Sm4 W4 -","4","1","","Przychodzeń, Paweł; Lewiński, Krzysztof; Pełka, Robert; Bałanda, Maria; Tomala, Krzysztof; Sieklucka, Barbara","[Ln(terpy)]3+ (Ln = Sm, Gd) entity forms isolated magnetic chains with [W(CN)8]3-.","Dalton transactions (Cambridge, England : 2003)","2006","","4","625","628","10.1039/b511788g","","","0.7107","MoKα","","0.0477","0.0327","","","0.0764","0.0842","","","","","","1.031","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7006531","14.482","0.0001","23.688","0.0003","14.713","0.0001","90","","91.191","0.001","90","","5046.2","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Gd N15 O11 W -","- C37 H38 Gd N15 O11 W -","- C148 H152 Gd4 N60 O44 W4 -","4","1","","Przychodzeń, Paweł; Lewiński, Krzysztof; Pełka, Robert; Bałanda, Maria; Tomala, Krzysztof; Sieklucka, Barbara","[Ln(terpy)]3+ (Ln = Sm, Gd) entity forms isolated magnetic chains with [W(CN)8]3-.","Dalton transactions (Cambridge, England : 2003)","2006","","4","625","628","10.1039/b511788g","","","0.7107","MoKα","","0.0451","0.0319","","","0.0706","0.0771","","","","","","1.039","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006532","9.5261","0.0007","15.6484","0.0015","14.6607","0.0011","90","","98.876","0.009","90","","2159.3","0.3","183","2","183","2","","","","","","","","6","C 1 c 1","C -2yc","9","","trans-hydrido-nitrosyl-tetrakis(trimethylphosphine)molybdenum(0)","","- C12 H37 Mo N O P4 -","- C12 H36 Mo N O P4 -","- C48 H144 Mo4 N4 O4 P16 -","4","1","","Zhao, Yin; Schmalle, Helmut W.; Fox, Thomas; Blacque, Olivier; Berke, Heinz","Hydride transfer reactivity of tetrakis(trimethylphosphine)(hydrido)(nitrosyl)molybdenum(0).","Dalton transactions (Cambridge, England : 2003)","2006","","1","73","85","10.1039/b511797f","","","0.71073","MoKα","","0.0469","0.0337","","","0.0709","0.0737","","","","","","0.882","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006533","10.0261","0.0009","16.7255","0.001","18.769","0.0018","90","","94.046","0.011","90","","3139.6","0.5","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-diphenylmethoxy-nitrosyl-tetrakis(trimethylphosphine)molybdenum(0)","","- C25 H47 Mo N O2 P4 -","- C25 H47 Mo N O2 P4 -","- C100 H188 Mo4 N4 O8 P16 -","4","1","","Zhao, Yin; Schmalle, Helmut W.; Fox, Thomas; Blacque, Olivier; Berke, Heinz","Hydride transfer reactivity of tetrakis(trimethylphosphine)(hydrido)(nitrosyl)molybdenum(0).","Dalton transactions (Cambridge, England : 2003)","2006","","1","73","85","10.1039/b511797f","","","0.71073","MoKα","","0.0408","0.0305","","","0.0787","0.0809","","","","","","1","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006534","13.1223","0.0018","13.2643","0.0012","18.473","0.002","90","","108.728","0.015","90","","3045.1","0.7","183","2","183","2","","","","","","","","8","P 1 n 1","P -2yac","7","","Nitrosyl-penta(trimethylphosphine)molybdenum tetrakis[bis(3,5-trifluoromethyl)phenyl]borane","","- C47 H57 B F24 Mo N O P5 -","- C47 H57 B F24 Mo N O P5 -","- C94 H114 B2 F48 Mo2 N2 O2 P10 -","2","1","","Zhao, Yin; Schmalle, Helmut W.; Fox, Thomas; Blacque, Olivier; Berke, Heinz","Hydride transfer reactivity of tetrakis(trimethylphosphine)(hydrido)(nitrosyl)molybdenum(0).","Dalton transactions (Cambridge, England : 2003)","2006","","1","73","85","10.1039/b511797f","","","0.71073","MoKα","","0.1017","0.0611","","","0.1474","0.1637","","","","","","0.869","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006535","10.1601","0.0007","13.902","0.0009","10.9422","0.0008","90","","107.548","0.008","90","","1473.62","0.19","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Nitrosyl-tris(trimethylphosphine)-N-benzylidene-1-naphthylamine- molybdenum","","- C26 H41 Mo N2 O P3 -","- C26 H41 Mo N2 O P3 -","- C52 H82 Mo2 N4 O2 P6 -","2","1","","Zhao, Yin; Schmalle, Helmut W.; Fox, Thomas; Blacque, Olivier; Berke, Heinz","Hydride transfer reactivity of tetrakis(trimethylphosphine)(hydrido)(nitrosyl)molybdenum(0).","Dalton transactions (Cambridge, England : 2003)","2006","","1","73","85","10.1039/b511797f","","","0.71073","MoKα","","0.0622","0.0348","","","0.0687","0.0712","","","","","","0.671","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006536","13.4047","0.0009","14.337","0.0013","30.111","0.002","90","","90","","90","","5786.8","0.8","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Nitrosyl-tris(trimethylphosphine)-N-benzylidene-1-naphthylamine- molybdenum","","- C26 H41 Mo N2 O P3 -","- C26 H41 Mo N2 O P3 -","- C208 H328 Mo8 N16 O8 P24 -","8","1","","Zhao, Yin; Schmalle, Helmut W.; Fox, Thomas; Blacque, Olivier; Berke, Heinz","Hydride transfer reactivity of tetrakis(trimethylphosphine)(hydrido)(nitrosyl)molybdenum(0).","Dalton transactions (Cambridge, England : 2003)","2006","","1","73","85","10.1039/b511797f","","","0.71073","MoKα","","0.041","0.03","","","0.0759","0.078","","","","","","0.876","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006537","10.577","0.002","11.019","0.002","13.59","0.003","82.44","0.03","84.43","0.03","63.95","0.03","1409.2","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H82 Mn4 N4 O20 -","- C44 H90 Mn4 N4 O20 -","- C44 H90 Mn4 N4 O20 -","1","0.5","","Wittick, Lisa M.; Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Spiccia, Leone; Berry, Kevin J.; Murray, Keith S.","New mixed-valence MnII2MnIII2 clusters exhibiting an unprecedented MnII/III oxidation state distribution in their magnetically coupled cores.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1534","1543","10.1039/b511817d","","","0.71073","MoKα","","0.0548","0.0423","","","0.0904","0.0954","","","","","","1.043","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006538","18.531","0.004","13.406","0.003","22.257","0.005","90","","90","","90","","5529","2","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C52 H65 Mn4 N3 O18 -","- C52 H65 Mn4 N3 O18 -","- C208 H260 Mn16 N12 O72 -","4","1","","Wittick, Lisa M.; Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Spiccia, Leone; Berry, Kevin J.; Murray, Keith S.","New mixed-valence MnII2MnIII2 clusters exhibiting an unprecedented MnII/III oxidation state distribution in their magnetically coupled cores.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1534","1543","10.1039/b511817d","","","0.71073","MoKα","","0.1045","0.0497","","","0.0973","0.1162","","","","","","0.959","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006539","9.57","0.002","12.636","0.003","20.096","0.004","90","","101.6","0.03","90","","2380.5","0.9","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H66 Cl2 Mn4 N2 O24 -","- C34 H66 Cl2 Mn4 N2 O24 -","- C68 H132 Cl4 Mn8 N4 O48 -","2","0.5","","Wittick, Lisa M.; Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Spiccia, Leone; Berry, Kevin J.; Murray, Keith S.","New mixed-valence MnII2MnIII2 clusters exhibiting an unprecedented MnII/III oxidation state distribution in their magnetically coupled cores.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1534","1543","10.1039/b511817d","","","0.71073","MoKα","","0.0665","0.0388","","","0.0882","0.098","","","","","","1.047","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006540","9.6236","0.0001","12.8569","0.0002","20.3485","0.0003","90","","102.532","0.001","90","","2457.73","0.06","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Mn4(bheapH)2(acac)4(MeOH)2).2ClO4","","","- C36 H66 Cl2 Mn4 N2 O24 -","- C36 H66 Cl2 Mn4 N2 O24 -","- C72 H132 Cl4 Mn8 N4 O48 -","2","0.5","","Wittick, Lisa M.; Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Spiccia, Leone; Berry, Kevin J.; Murray, Keith S.","New mixed-valence MnII2MnIII2 clusters exhibiting an unprecedented MnII/III oxidation state distribution in their magnetically coupled cores.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1534","1543","10.1039/b511817d","","","0.71073","MoKα","","0.06","0.0425","","","0.1014","0.11","","","","","","1.04","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006541","11.488","0.002","17.147","0.003","19.45","0.004","90","","107.114","0.004","90","","3661.7","1.2","206","2","206","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H58 Li4 N6 S Si -","- C27 H58 Li4 N6 S Si -","- C108 H232 Li16 N24 S4 Si4 -","4","1","","Hildebrand, Alexandra; Lönnecke, Peter; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Hey-Hawkins, Evamarie","Co-complexes of ortho-dilithiated thiophenol or 2-trimethylsilylthiophenol with lithiated TMEDA molecules: synthesis, crystal structures and theoretical studies (TMEDA = N,N,N',N'-tetramethylethylenediamine).","Dalton transactions (Cambridge, England : 2003)","2006","","7","967","974","10.1039/b511827a","","","0.71073","MoKα","","0.1086","0.0716","","","0.1635","0.1867","","","","","","1.025","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006542","12.6446","0.0012","17.4654","0.0017","11.605","0.0011","90","","114.957","0.002","90","","2323.6","0.4","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H70 Li6 N8 S2 -","- C36 H70 Li6 N8 S2 -","- C72 H140 Li12 N16 S4 -","2","0.5","","Hildebrand, Alexandra; Lönnecke, Peter; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Hey-Hawkins, Evamarie","Co-complexes of ortho-dilithiated thiophenol or 2-trimethylsilylthiophenol with lithiated TMEDA molecules: synthesis, crystal structures and theoretical studies (TMEDA = N,N,N',N'-tetramethylethylenediamine).","Dalton transactions (Cambridge, England : 2003)","2006","","7","967","974","10.1039/b511827a","","","0.71073","MoKα","","0.1656","0.1045","","","0.2288","0.2592","","","","","","1.135","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006543","10.7171","0.0016","10.717","0.0016","12.3396","0.0018","78.798","0.003","75.012","0.003","72.274","0.003","1293.7","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 B2 P4 -","- C25 H28 B2 P4 -","- C50 H56 B4 P8 -","2","1","","Wolf, Robert; Finger, Markus; Limburg, Carolin; Willis, Anthony C.; Wild, S. Bruce; Hey-Hawkins, Evamarie","Reactivity of cyclooligophosphanes: synthesis and structural characterisation of cyclo-1,4-(BH3)2(P4Ph4CH2) and cyclo-1,2-(BH3)2(P5Ph5).","Dalton transactions (Cambridge, England : 2003)","2006","","6","831","837","10.1039/b511833f","","","0.71073","MoKα","","0.0905","0.0502","","","0.1094","0.1239","","","","","","0.996","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006544","10.775","0.005","22.123","0.005","13.275","0.005","90","","108.435","0.005","90","","3002","1.9","207","","486","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 B2 P5 -","- C30 H31 B2 P5 -","- C120 H124 B8 P20 -","4","1","","Wolf, Robert; Finger, Markus; Limburg, Carolin; Willis, Anthony C.; Wild, S. Bruce; Hey-Hawkins, Evamarie","Reactivity of cyclooligophosphanes: synthesis and structural characterisation of cyclo-1,4-(BH3)2(P4Ph4CH2) and cyclo-1,2-(BH3)2(P5Ph5).","Dalton transactions (Cambridge, England : 2003)","2006","","6","831","837","10.1039/b511833f","","","0.71073","MoKα","","0.064","0.0382","","","0.09","0.1005","","","","","","1.037","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006545","19.6208","0.0003","10.1953","0.0001","33.8163","0.0005","90","","96.7138","0.0006","90","","6718.22","0.16","200","","200","","","","","","","","?","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H33 B2 Cl2 P5 -","- C31 H33 B2 Cl2 P5 -","- C248 H264 B16 Cl16 P40 -","8","1","","Wolf, Robert; Finger, Markus; Limburg, Carolin; Willis, Anthony C.; Wild, S. Bruce; Hey-Hawkins, Evamarie","Reactivity of cyclooligophosphanes: synthesis and structural characterisation of cyclo-1,4-(BH3)2(P4Ph4CH2) and cyclo-1,2-(BH3)2(P5Ph5).","Dalton transactions (Cambridge, England : 2003)","2006","","6","831","837","10.1039/b511833f","","","0.71073","MoKα","","","0.0356","","","","0.0394","","","","","","1.0432","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006546","28.728","0.004","28.728","0.004","13.871","0.003","90","","90","","120","","9914","3","140","1","140","1","","","","","","","","6","R -3 :H","-R 3","148","Complex 7","","","- C46.67 H47.33 Ca F10 N2 O4 -","- C45.94 H42 Ca F10 N2 O4 -","- C413.46 H378 Ca9 F90 N18 O36 -","9","0.5","","Sarazin, Yann; Howard, Ruth H.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Titanium, zinc and alkaline-earth metal complexes supported by bulky O,N,N,O-multidentate ligands: syntheses, characterisation and activity in cyclic ester polymerisation.","Dalton transactions (Cambridge, England : 2003)","2006","","2","340","350","10.1039/b511851d","","","0.71073","Mo-Kα","","0.108","0.0531","","","0.1244","0.1381","","","","","","0.887","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006547","9.7184","0.0002","14.4919","0.0002","27.3095","0.0005","104.717","0.001","90.064","0.001","105.413","0.001","3576.51","0.11","180","1","180","1","","","","","","","","5","P -1","-P 1","2","Complex 1-Ca","","","- C72 H118 Ca2 N4 O5 -","- C72 H118 Ca2 N4 O5 -","- C144 H236 Ca4 N8 O10 -","2","1","","Sarazin, Yann; Howard, Ruth H.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Titanium, zinc and alkaline-earth metal complexes supported by bulky O,N,N,O-multidentate ligands: syntheses, characterisation and activity in cyclic ester polymerisation.","Dalton transactions (Cambridge, England : 2003)","2006","","2","340","350","10.1039/b511851d","","","0.71073","Mo-Kα","","0.0842","0.0515","","","0.1096","0.1203","","","","","","1.028","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006548","17.9796","0.0004","16.7107","0.0003","22.3627","0.0004","90","","90","","90","","6718.9","0.2","180","1","180","1","","","","","","","","5","P b c n","-P 2n 2ab","60","Complex 2-Ti","","","- C34 H56 N2 O4 Ti -","- C34 H56 N2 O4 Ti -","- C272 H448 N16 O32 Ti8 -","8","1","","Sarazin, Yann; Howard, Ruth H.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Titanium, zinc and alkaline-earth metal complexes supported by bulky O,N,N,O-multidentate ligands: syntheses, characterisation and activity in cyclic ester polymerisation.","Dalton transactions (Cambridge, England : 2003)","2006","","2","340","350","10.1039/b511851d","","","0.71073","Mo-Kα","","0.0751","0.0497","","","0.1108","0.1199","","","","","","1.047","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006549","22.4176","0.0004","15.6454","0.0003","29.5745","0.0006","90","","101.382","0.0007","90","","10168.7","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex 8","","","- C42 H72 N2 Na O6 Ti -","- C42 H72 N2 Na O6 Ti -","- C336 H576 N16 Na8 O48 Ti8 -","8","2","","Sarazin, Yann; Howard, Ruth H.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Titanium, zinc and alkaline-earth metal complexes supported by bulky O,N,N,O-multidentate ligands: syntheses, characterisation and activity in cyclic ester polymerisation.","Dalton transactions (Cambridge, England : 2003)","2006","","2","340","350","10.1039/b511851d","","","0.71073","MoKα","","0.1458","0.0874","","","0.2233","0.2549","","","","","","1.037","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006550","9.1032","0.0004","11.9561","0.0005","18.4632","0.0008","104.741","0.002","96.902","0.003","92.611","0.002","1923.21","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","1,3-Bis(2'-(3'',5''-di-tert-butyl-2''-hydroxystyryl)phenyl)- propane-1,3-dione","","","- C47 H56 O4 -","- C47 H56 O4 -","- C94 H112 O8 -","2","1","","Schroeder, Tobias; Ugrinova, Vesela; Noll, Bruce C.; Brown, Seth N.","A chelating beta-diketonate/phenoxide ligand and its coordination behavior toward titanium and scandium.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1030","1040","10.1039/b511915d","","","0.71073","MoKα","","0.0906","0.0696","","","0.188","0.2032","","","","","","1.041","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006551","13.1693","0.0005","14.4819","0.0006","18.8272","0.0008","69.077","0.001","88.78","0.002","89.507","0.002","3353.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Bis{1-[2'-(3'',5''-di-tert-butyl-2''-oxyphenethyl)phenyl]-3-p-tolylpropane- 1,3-dionato}titanium(IV) tetrakis (dichloromethane) solvate","","","- C68 H80 Cl8 O6 Ti -","- C68 H80 Cl8 O6 Ti -","- C136 H160 Cl16 O12 Ti2 -","2","1","","Schroeder, Tobias; Ugrinova, Vesela; Noll, Bruce C.; Brown, Seth N.","A chelating beta-diketonate/phenoxide ligand and its coordination behavior toward titanium and scandium.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1030","1040","10.1039/b511915d","","","0.71073","MoKα","","0.0557","0.0365","","","0.093","0.1042","","","","","","1.009","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006552","10.485","0.002","11.414","0.002","38.059","0.008","90","","92.05","0.03","90","","4551.8","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H46 Ca2 Cl4 N12 O30 -","- C18 H46 Ca2 Cl4 N12 O30 -","- C72 H184 Ca8 Cl16 N48 O120 -","4","1","","Clapp, Laura A.; Siddons, Chynthia J.; VanDerveer, Donald G.; Reibenspies, Joseph H.; Jones, S. Bart; Hancock, Robert D.","The amide oxygen donor. Metal ion coordinating properties of the ligand nitrilotriacetamide. A thermodynamic and crystallographic study.","Dalton transactions (Cambridge, England : 2003)","2006","","16","2001","2007","10.1039/b512017a","","","0.71073","MoKα","","0.1009","0.0634","","","0.1386","0.1535","","","","","","1.064","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7006553","7.4411","0.0016","9.0455","0.0019","11.625","0.003","69.976","0.004","79.591","0.004","67.045","0.003","675.9","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 N6 O9 Pb -","- C6 H12 N6 O9 Pb -","- C12 H24 N12 O18 Pb2 -","2","1","","Clapp, Laura A.; Siddons, Chynthia J.; VanDerveer, Donald G.; Reibenspies, Joseph H.; Jones, S. Bart; Hancock, Robert D.","The amide oxygen donor. Metal ion coordinating properties of the ligand nitrilotriacetamide. A thermodynamic and crystallographic study.","Dalton transactions (Cambridge, England : 2003)","2006","","16","2001","2007","10.1039/b512017a","","","0.71073","MoKα","","0.0351","0.0275","","","0.0678","0.1042","","","","","","1.031","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006554","11.066","0.004","26.14","0.008","18.062","0.006","90","","98.633","0.005","90","","5166","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H63 B20 Cl2 Ir2 Rh2 S4 -","- C33 H63 B20 Cl2 Ir2 Rh2 S4 -","- C132 H252 B80 Cl8 Ir8 Rh8 S16 -","4","1","","Jin, Guo-Xin; Wang, Jian-Qiang","Tetrametallic clusters (Ir(2)Rh(2)) through an ancillary ortho-carborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","86","90","10.1039/b512027f","","","0.71073","MoKα","","0.0776","0.0499","","","0.1076","0.1174","","","","","","1.02","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006555","11.104","0.003","26.517","0.006","18.003","0.004","90","","98.155","0.004","90","","5247","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H63 B20 Cl2 Ir2 Rh2 Se4 -","- C33 H63 B20 Cl2 Ir2 Rh2 Se4 -","- C132 H252 B80 Cl8 Ir8 Rh8 Se16 -","4","1","","Jin, Guo-Xin; Wang, Jian-Qiang","Tetrametallic clusters (Ir(2)Rh(2)) through an ancillary ortho-carborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","86","90","10.1039/b512027f","","","0.71073","MoKα","","0.1059","0.0549","","","0.1161","0.1424","","","","","","1.016","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006556","11.3333","0.0009","11.6011","0.0009","18.2472","0.001","80.49","0.006","89.466","0.005","64.006","0.005","2121.4","0.3","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe2 N14 Na2 O15 -","- C34 H28 Fe2 N14 Na2 O15 -","- C68 H56 Fe4 N28 Na4 O30 -","2","1","","Tanase, Stefania; Marqués Gallego, Patricia; Bouwman, Elisabeth; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande; de Gelder, René; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","Versatility in the binding of 2-pyrazinecarboxylate with iron. Synthesis, structure and magnetic properties of iron(II) and iron(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1675","1684","10.1039/b512048a","","","0.71073","MoKα","","0.0746","0.0465","","0.1024","0.0941","0.1024","","","1.049","","","1.049","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006557","9.4301","0.0002","11.0425","0.0004","12.1683","0.0003","90","","91.185","0.002","90","","1266.84","0.06","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Fe N4 O6 -","- C10 H10 Fe N4 O6 -","- C40 H40 Fe4 N16 O24 -","4","1","","Tanase, Stefania; Marqués Gallego, Patricia; Bouwman, Elisabeth; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande; de Gelder, René; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","Versatility in the binding of 2-pyrazinecarboxylate with iron. Synthesis, structure and magnetic properties of iron(II) and iron(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1675","1684","10.1039/b512048a","","","0.71073","MoKα","","0.0877","0.0444","","","0.0658","0.0743","","","","","","1.041","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006558","9.239","0.002","28.497","0.002","10.402","0.004","90","","118.93","0.02","90","","2396.9","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Fe N7 O4 -","- C25 H21 Fe N7 O4 -","- C100 H84 Fe4 N28 O16 -","4","1","","Tanase, Stefania; Marqués Gallego, Patricia; Bouwman, Elisabeth; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande; de Gelder, René; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","Versatility in the binding of 2-pyrazinecarboxylate with iron. Synthesis, structure and magnetic properties of iron(II) and iron(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1675","1684","10.1039/b512048a","","","0.71073","MoKα","","0.0646","0.0387","","","0.0847","0.0941","","","","","","1.046","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006559","10.5391","0.0016","14.63","0.002","17.946","0.003","101.851","0.002","94.654","0.003","104.704","0.002","2593.3","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Compound 1","","","- C42 H56 N10 O8 S4 Zn3 -","- C42 H56 N10 O8 S4 Zn3 -","- C84 H112 N20 O16 S8 Zn6 -","2","1","","Sen, Soma; Talukder, Pritha; Dey, Subrata K.; Mitra, Samiran; Rosair, Georgina; Hughes, David L.; Yap, Glenn P. A.; Pilet, Guillaume; Gramlich, V.; Matsushita, T.","Ligating properties of a potentially tetradentate Schiff base [(CH3)2NCH2CH2N=CHC6H3(OH)(OMe)] with zinc(II), cadmium(II), cobalt(II), cobalt(III) and manganese(III) ions: synthesis and structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1758","1767","10.1039/b512053e","","","0.71073","MoKα","","0.0415","0.0379","","","0.1005","0.1031","","","","","","1.054","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006560","15.373","0.008","14.399","0.007","14.621","0.009","90","","112.94","0.04","90","","2980","3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","Compound 2","","","- C24 H34 Cd2 Cl2 N4 O4 -","- C24 H34 Cd2 Cl2 N4 O4 -","- C96 H136 Cd8 Cl8 N16 O16 -","4","1","","Sen, Soma; Talukder, Pritha; Dey, Subrata K.; Mitra, Samiran; Rosair, Georgina; Hughes, David L.; Yap, Glenn P. A.; Pilet, Guillaume; Gramlich, V.; Matsushita, T.","Ligating properties of a potentially tetradentate Schiff base [(CH3)2NCH2CH2N=CHC6H3(OH)(OMe)] with zinc(II), cadmium(II), cobalt(II), cobalt(III) and manganese(III) ions: synthesis and structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1758","1767","10.1039/b512053e","","","1.54178","CuKα","","0.0489","0.0464","","0.1227","0.1193","","","","1.046","1.062","1.062","","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006561","14.59","0.005","15.638","0.005","14.792","0.005","90","","103.911","0.005","90","","3275.9","1.9","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 3","","","- C26 H34 Cd2 N6 O4 S2 -","- C26 H34 Cd2 N6 O4 S2 -","- C104 H136 Cd8 N24 O16 S8 -","4","1","","Sen, Soma; Talukder, Pritha; Dey, Subrata K.; Mitra, Samiran; Rosair, Georgina; Hughes, David L.; Yap, Glenn P. A.; Pilet, Guillaume; Gramlich, V.; Matsushita, T.","Ligating properties of a potentially tetradentate Schiff base [(CH3)2NCH2CH2N=CHC6H3(OH)(OMe)] with zinc(II), cadmium(II), cobalt(II), cobalt(III) and manganese(III) ions: synthesis and structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1758","1767","10.1039/b512053e","","","0.71069","MoKα","","0.1434","0.0555","","0.0903","0.0549","0.0549","","","","","","1.0311","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006562","14.227","0.018","19.468","0.02","13.857","0.018","104.05","0.09","93.52","0.11","109.48","0.08","3467","8","296.2","","293","2","","","","","","","","6","P -1","-P 1","2","Compound 4","","","- C54 H72 Co3 N14 O8 S6 -","- C55.5 H72 Co3 N14 O8 S6 -","- C111 H144 Co6 N28 O16 S12 -","2","1","","Sen, Soma; Talukder, Pritha; Dey, Subrata K.; Mitra, Samiran; Rosair, Georgina; Hughes, David L.; Yap, Glenn P. A.; Pilet, Guillaume; Gramlich, V.; Matsushita, T.","Ligating properties of a potentially tetradentate Schiff base [(CH3)2NCH2CH2N=CHC6H3(OH)(OMe)] with zinc(II), cadmium(II), cobalt(II), cobalt(III) and manganese(III) ions: synthesis and structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1758","1767","10.1039/b512053e","","","0.71073","Mo-Kα","","0.2345","0.0594","","","0.1464","0.182","","","","","","0.865","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006563","9.229","0.004","29.702","0.004","10.646","0.002","90","","96.75","0.02","90","","2898.1","1.4","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Cl Co N5 O8 S -","- C25 H36 Cl Co N5 O8 S -","- C100 H144 Cl4 Co4 N20 O32 S4 -","4","1","","Sen, Soma; Talukder, Pritha; Dey, Subrata K.; Mitra, Samiran; Rosair, Georgina; Hughes, David L.; Yap, Glenn P. A.; Pilet, Guillaume; Gramlich, V.; Matsushita, T.","Ligating properties of a potentially tetradentate Schiff base [(CH3)2NCH2CH2N=CHC6H3(OH)(OMe)] with zinc(II), cadmium(II), cobalt(II), cobalt(III) and manganese(III) ions: synthesis and structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1758","1767","10.1039/b512053e","","x-ray","0.71073","MoKα","","0.304","0.0964","","","0.0895","0.127","","","","","","1.003","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006564","10.031","0.003","10.612","0.002","20.996","0.003","94.152","0.015","80.05","0.02","84.45","0.02","2182","0.9","293","2","293","2","","","","","","","","5","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","Compound 6","","","- C20.5 H26 Co N5 O5.5 -","- C20.5 H25.5 Co N5 O5.5 -","- C82 H102 Co4 N20 O22 -","4","","","Sen, Soma; Talukder, Pritha; Dey, Subrata K.; Mitra, Samiran; Rosair, Georgina; Hughes, David L.; Yap, Glenn P. A.; Pilet, Guillaume; Gramlich, V.; Matsushita, T.","Ligating properties of a potentially tetradentate Schiff base [(CH3)2NCH2CH2N=CHC6H3(OH)(OMe)] with zinc(II), cadmium(II), cobalt(II), cobalt(III) and manganese(III) ions: synthesis and structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1758","1767","10.1039/b512053e","","","0.71069","Mo-Kα","","0.0593","0.039","","","0.0833","0.0956","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006565","27.105","0.007","15.978","0.004","8.482","0.002","90","","96.566","0.013","90","","3649.3","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 7","","","- C26 H44 Cl3 Mn N4 O18 -","- C26 H44 Cl3 Mn N4 O18 -","- C104 H176 Cl12 Mn4 N16 O72 -","4","0.5","","Sen, Soma; Talukder, Pritha; Dey, Subrata K.; Mitra, Samiran; Rosair, Georgina; Hughes, David L.; Yap, Glenn P. A.; Pilet, Guillaume; Gramlich, V.; Matsushita, T.","Ligating properties of a potentially tetradentate Schiff base [(CH3)2NCH2CH2N=CHC6H3(OH)(OMe)] with zinc(II), cadmium(II), cobalt(II), cobalt(III) and manganese(III) ions: synthesis and structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1758","1767","10.1039/b512053e","","","0.71073","MoKα","","0.0847","0.057","","","0.1519","0.1769","","","","","","1.086","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006566","9.273","0.002","18.559","0.004","15.02","0.003","90","","106.736","0.005","90","","2475.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Co O3 P -","- C26 H26 Co O3 P -","- C104 H104 Co4 O12 P4 -","4","1","","McConnell, Ann C.; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Williams, Gary L.; Elliott, Paul I. P.; Haynes, Anthony; Marr, Andrew C.; Cole-Hamilton, David J","The synthesis, characterisation and reactivity of 2-phosphanylethylcyclopentadienyl complexes of cobalt, rhodium and iridium.","Dalton transactions (Cambridge, England : 2003)","2006","","1","91","107","10.1039/b512054c","","","0.71073","MoKα","","0.2621","0.0716","","0.1447","0.0893","","","","0.944","1.19","1.19","","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006567","7.1629","0.0004","16.6122","0.0009","14.3026","0.0008","90","","102.526","0.001","90","","1661.38","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Ir O P -","- C16 H26 Ir O P -","- C64 H104 Ir4 O4 P4 -","4","1","","McConnell, Ann C.; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Williams, Gary L.; Elliott, Paul I. P.; Haynes, Anthony; Marr, Andrew C.; Cole-Hamilton, David J","The synthesis, characterisation and reactivity of 2-phosphanylethylcyclopentadienyl complexes of cobalt, rhodium and iridium.","Dalton transactions (Cambridge, England : 2003)","2006","","1","91","107","10.1039/b512054c","","","0.71073","MoKα","","0.0243","0.0212","","","0.0585","0.0605","","","","","","0.806","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006568","16.75","0.007","8.612","0.004","14.429","0.006","90","","114.17","0.007","90","","1898.9","1.4","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Co I O P -","- C17 H29 Co I O P -","- C68 H116 Co4 I4 O4 P4 -","4","1","","McConnell, Ann C.; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Williams, Gary L.; Elliott, Paul I. P.; Haynes, Anthony; Marr, Andrew C.; Cole-Hamilton, David J","The synthesis, characterisation and reactivity of 2-phosphanylethylcyclopentadienyl complexes of cobalt, rhodium and iridium.","Dalton transactions (Cambridge, England : 2003)","2006","","1","91","107","10.1039/b512054c","","","0.71073","MoKα","","0.1248","0.0695","","","0.1514","0.17","","","","","","0.927","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006569","8.7","0.003","10.216","0.003","14.368","0.005","92.9","0.007","96.994","0.006","100.669","0.006","1242.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H34 Co O3 P Si -","- C21 H34 Co O3 P Si -","- C42 H68 Co2 O6 P2 Si2 -","2","1","","McConnell, Ann C.; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Williams, Gary L.; Elliott, Paul I. P.; Haynes, Anthony; Marr, Andrew C.; Cole-Hamilton, David J","The synthesis, characterisation and reactivity of 2-phosphanylethylcyclopentadienyl complexes of cobalt, rhodium and iridium.","Dalton transactions (Cambridge, England : 2003)","2006","","1","91","107","10.1039/b512054c","","","0.71073","MoKα","","0.2326","0.089","","0.3622","0.2104","","","","0.705","0.874","0.874","","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006570","9.03","0.002","10.604","0.003","20.661","0.006","93.879","0.004","101.951","0.004","105.618","0.004","1848","0.9","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H47 I2 Ir O P2 -","- C36 H47 I2 Ir O P2 -","- C72 H94 I4 Ir2 O2 P4 -","2","1","","McConnell, Ann C.; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Williams, Gary L.; Elliott, Paul I. P.; Haynes, Anthony; Marr, Andrew C.; Cole-Hamilton, David J","The synthesis, characterisation and reactivity of 2-phosphanylethylcyclopentadienyl complexes of cobalt, rhodium and iridium.","Dalton transactions (Cambridge, England : 2003)","2006","","1","91","107","10.1039/b512054c","","","0.71073","MoKα","","0.1212","0.1076","","","0.2422","0.249","","","","","","1.138","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006571","7.1336","0.0013","13.999","0.003","16.244","0.003","90","","90","","90","","1622.2","0.5","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Co O P -","- C16 H26 Co O P -","- C64 H104 Co4 O4 P4 -","4","1","","McConnell, Ann C.; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Williams, Gary L.; Elliott, Paul I. P.; Haynes, Anthony; Marr, Andrew C.; Cole-Hamilton, David J","The synthesis, characterisation and reactivity of 2-phosphanylethylcyclopentadienyl complexes of cobalt, rhodium and iridium.","Dalton transactions (Cambridge, England : 2003)","2006","","1","91","107","10.1039/b512054c","","","0.71073","MoKα","","0.0557","0.0467","","","0.1124","0.1169","","","","","","1","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006572","16.3627","0.0009","11.4598","0.0006","21.3431","0.0014","90","","104.445","0.002","90","","3875.6","0.4","180","2","180","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C34 H44 Cl2 N6 Ni2 O8 S2 -","- C34 H44 Cl2 N6 Ni2 O8 S2 -","- C136 H176 Cl8 N24 Ni8 O32 S8 -","4","0.5","","Christensen, Aase; Mayer, Christoph; Jensen, Frank; Bond, Andrew D.; McKenzie, Christine J.","Controlled formation and topologies of thiophenolate-based macrocycles: rings, cylinders and bowls.","Dalton transactions (Cambridge, England : 2003)","2006","","1","108","120","10.1039/b512068c","","","0.71073","MoKα","","0.067","0.038","","","0.0876","0.096","","","","","","1.023","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006573","20.071","0.003","13.669","0.0018","40.076","0.006","90","","103.805","0.007","90","","10677","3","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30.67 H40.67 Cl2 N4 Ni2 O8.67 S2 -","- C30.6667 H40.6667 Cl2 N4 Ni2 O8.66667 S2 -","- C368 H488 Cl24 N48 Ni24 O104 S24 -","12","1.5","","Christensen, Aase; Mayer, Christoph; Jensen, Frank; Bond, Andrew D.; McKenzie, Christine J.","Controlled formation and topologies of thiophenolate-based macrocycles: rings, cylinders and bowls.","Dalton transactions (Cambridge, England : 2003)","2006","","1","108","120","10.1039/b512068c","","","0.71073","MoKα","","0.1037","0.0508","","","0.1103","0.1254","","","","","","0.877","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006574","12.373","0.002","13.331","0.002","15.212","0.003","102.565","0.004","100.972","0.004","117.638","0.004","2042.8","0.6","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H43.5 Cl2 N4.5 Ni2 O9 S2 -","- C32 H43.5 Cl2 N4.5 Ni2 O9 S2 -","- C64 H87 Cl4 N9 Ni4 O18 S4 -","2","1","","Christensen, Aase; Mayer, Christoph; Jensen, Frank; Bond, Andrew D.; McKenzie, Christine J.","Controlled formation and topologies of thiophenolate-based macrocycles: rings, cylinders and bowls.","Dalton transactions (Cambridge, England : 2003)","2006","","1","108","120","10.1039/b512068c","","","0.71073","MoKα","","0.1042","0.076","","","0.2101","0.2342","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006575","36.323","0.004","8.3434","0.0012","8.5289","0.0012","90","","100.795","0.003","90","","2539","0.6","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H32 N2 O2 Pd S2 -","- C27 H32 N2 O2 Pd S2 -","- C108 H128 N8 O8 Pd4 S8 -","4","0.5","","Christensen, Aase; Mayer, Christoph; Jensen, Frank; Bond, Andrew D.; McKenzie, Christine J.","Controlled formation and topologies of thiophenolate-based macrocycles: rings, cylinders and bowls.","Dalton transactions (Cambridge, England : 2003)","2006","","1","108","120","10.1039/b512068c","","","0.71073","MoKα","","0.1563","0.0723","","","0.1524","0.2005","","","","","","1.002","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006576","34.286","0.007","10.232","0.002","20.489","0.004","90","","94.3","0.03","90","","7168","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H97 N11 O3 Pd2 S4 -","- C69 H97 N11 O3 Pd2 S4 -","- C276 H388 N44 O12 Pd8 S16 -","4","0.5","","Christensen, Aase; Mayer, Christoph; Jensen, Frank; Bond, Andrew D.; McKenzie, Christine J.","Controlled formation and topologies of thiophenolate-based macrocycles: rings, cylinders and bowls.","Dalton transactions (Cambridge, England : 2003)","2006","","1","108","120","10.1039/b512068c","","","0.71073","MoKα","","0.2704","0.2157","","","0.4593","0.4756","","","","","","2.516","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006577","15.567","0.002","22.548","0.003","26.568","0.003","107.85","0.003","103.482","0.003","102.425","0.003","8207.7","1.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H91 N17 O12 S4 Zn4 -","- C70 H91 N17 O12 S4 Zn4 -","- C280 H364 N68 O48 S16 Zn16 -","4","2","","Christensen, Aase; Mayer, Christoph; Jensen, Frank; Bond, Andrew D.; McKenzie, Christine J.","Controlled formation and topologies of thiophenolate-based macrocycles: rings, cylinders and bowls.","Dalton transactions (Cambridge, England : 2003)","2006","","1","108","120","10.1039/b512068c","","","0.71073","MoKα","","0.2123","0.1007","","","0.2526","0.3139","","","","","","1.067","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006578","16.254","0.0004","46.4678","0.0012","16.561","0.0003","90","","108.158","0.001","90","","11885.4","0.5","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C91 H122 Cl4 N12 O23 S6 Zn6 -","- C91 H114 Cl4 N12 O23 S6 Zn6 -","- C364 H456 Cl16 N48 O92 S24 Zn24 -","4","1","","Christensen, Aase; Mayer, Christoph; Jensen, Frank; Bond, Andrew D.; McKenzie, Christine J.","Controlled formation and topologies of thiophenolate-based macrocycles: rings, cylinders and bowls.","Dalton transactions (Cambridge, England : 2003)","2006","","1","108","120","10.1039/b512068c","","","0.71073","MoKα","","0.1986","0.112","","","0.3244","0.3889","","","","","","1.029","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006579","13.685","0.001","14.468","0.002","15.666","0.002","72.65","0.01","68.65","0.02","64.34","0.03","2567.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","((Fe2O(L)(PhCO2))2)(ClO4)4 2H2O 2CH3CN","{[Fe2O(L)(PhCO2)]2}(ClO4)4 2H2O 2CH3CN","","- C92 H92 Cl4 Fe4 N14 O32 -","- C92 H90 Cl4 Fe4 N14 O32 -","- C92 H90 Cl4 Fe4 N14 O32 -","1","0.5","","Gutkina, Elena A.; Trukhan, Vladimir M.; Pierpont, Cortlandt G.; Mkoyan, Shaen; Strelets, Vladimir V.; Nordlander, Ebbe; Shteinman, Albert A.","Tetranuclear iron(III) complexes of an octadentate pyridine-carboxylate ligand and their catalytic activity in alkane oxidation by hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2006","","3","492","501","10.1039/b512069a","","","0.71073","MoKα","","0.3358","0.0984","","","0.1101","0.2029","","","","","","0.778","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006580","18.019","0.008","10.197","0.006","15.69","0.007","90","","94.83","0.04","90","","2873","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H45 Cl N6 Si3 Zr -","- C15 H45 Cl N6 Si3 Zr -","- C60 H180 Cl4 N24 Si12 Zr4 -","4","1","","Baunemann, Arne; Kim, Younsoo; Winter, Manuela; Fischer, Roland A.","Mixed hydrazido amido/imido complexes of tantalum, hafnium and zirconium: potential precursors for metal nitride MOCVD.","Dalton transactions (Cambridge, England : 2003)","2006","","1","121","128","10.1039/b512074h","","","0.71073","MoKα","","0.1009","0.0551","","","0.1383","0.1535","","","","","","0.983","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006581","9.3189","0.0007","33.5381","0.0018","13.6538","0.0009","90","","102.595","0.006","90","","4164.6","0.5","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H36 N5 Si Ta -","- C13 H36 N5 Si Ta -","- C104 H288 N40 Si8 Ta8 -","8","2","","Baunemann, Arne; Kim, Younsoo; Winter, Manuela; Fischer, Roland A.","Mixed hydrazido amido/imido complexes of tantalum, hafnium and zirconium: potential precursors for metal nitride MOCVD.","Dalton transactions (Cambridge, England : 2003)","2006","","1","121","128","10.1039/b512074h","","","0.71073","MoKα","","0.086","0.0667","","","0.1155","0.1213","","","","","","1.104","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006582","9.063","0.004","19.277","0.008","8.088","0.003","90","","105.113","0.01","90","","1364.2","1","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Li2 N6 Si2 -","- C20 H40 Li2 N6 Si2 -","- C40 H80 Li4 N12 Si4 -","2","0.5","","Baunemann, Arne; Kim, Younsoo; Winter, Manuela; Fischer, Roland A.","Mixed hydrazido amido/imido complexes of tantalum, hafnium and zirconium: potential precursors for metal nitride MOCVD.","Dalton transactions (Cambridge, England : 2003)","2006","","1","121","128","10.1039/b512074h","","","0.71073","MoKα","","0.1023","0.0545","","","0.1226","0.1404","","","","","","1.088","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006583","10.823","0.005","10.882","0.005","11.29","0.005","117.244","0.005","90.425","0.005","115.172","0.005","1035.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Cl Cu N5 O4 -","- C19 H19 Cl Cu N5 O4 -","- C38 H38 Cl2 Cu2 N10 O8 -","2","1","","Mukherjee, Jhumpa; Mukherjee, Rabindranath","Reaction with dioxygen of a Cu(I) complex of 1-benzyl-[3-(2'-pyridyl)]pyrazole triggers ethyl acetate hydrolysis: acetato-/pyrazolato-, dihydroxo- and diacetato-bridged Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1611","1621","10.1039/b512086a","","","0.71069","MoKα","","0.0354","0.0324","","","0.0866","0.0886","","","","","","1.007","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006584","17.217","0.005","6.42","0.005","17.644","0.005","90","","90","","90","","1950.2","1.7","100","2","100","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C20 H18 Cu2 N6 O4 -","- C20 H18 Cu2 N6 O4 -","- C80 H72 Cu8 N24 O16 -","4","0.5","","Mukherjee, Jhumpa; Mukherjee, Rabindranath","Reaction with dioxygen of a Cu(I) complex of 1-benzyl-[3-(2'-pyridyl)]pyrazole triggers ethyl acetate hydrolysis: acetato-/pyrazolato-, dihydroxo- and diacetato-bridged Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1611","1621","10.1039/b512086a","","","0.71073","MoKα","","0.0366","0.0322","","","0.0892","0.0922","","","","","","1.074","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006585","7.571","0.005","18.245","0.005","23.845","0.005","90","0.005","95.334","0.005","90","0.005","3280","2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H30 Cl2 Cu2 N6 O10 -","- C30 H28 Cl2 Cu2 N6 O10 -","- C120 H112 Cl8 Cu8 N24 O40 -","4","1","","Mukherjee, Jhumpa; Mukherjee, Rabindranath","Reaction with dioxygen of a Cu(I) complex of 1-benzyl-[3-(2'-pyridyl)]pyrazole triggers ethyl acetate hydrolysis: acetato-/pyrazolato-, dihydroxo- and diacetato-bridged Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1611","1621","10.1039/b512086a","","","0.71069","MoKα","","0.0344","0.0321","","","0.0683","0.0691","","","","","","0.971","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006586","11.234","0.005","23.253","0.005","19.581","0.005","90","","98.723","0.005","90","","5056","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H52 Cl2 Cu2 N9 O16 -","- C43.5 H53 Cl2 Cu2 N9 O15.5 -","- C174 H212 Cl8 Cu8 N36 O62 -","4","2","","Mukherjee, Jhumpa; Mukherjee, Rabindranath","Reaction with dioxygen of a Cu(I) complex of 1-benzyl-[3-(2'-pyridyl)]pyrazole triggers ethyl acetate hydrolysis: acetato-/pyrazolato-, dihydroxo- and diacetato-bridged Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1611","1621","10.1039/b512086a","","","0.71069","MoKα","","0.1271","0.0765","","","0.1636","0.1882","","","","","","1.003","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006587","11.6777","0.001","15.3081","0.0014","15.8171","0.0014","103.645","0.01","109.925","0.01","110.641","0.01","2274.8","0.5","223","2","223","2","","","","","","","","7","P 1","P 1","1","","","","- C76.75 H82.75 Cl14.25 F12 Fe N6 P2 -","- C76.75 H82.75 Cl14.25 F12 Fe N6 P2 -","- C76.75 H82.75 Cl14.25 F12 Fe N6 P2 -","1","1","","Drahonovský, Dusan; Knof, Ulrich; Jungo, Laurence; Belser, Thomas; Neels, Antonia; Labat, Gaël Charles; Stoeckli-Evans, Helen; von Zelewsky, Alex","Stereoselectivity in the formation of tris-diimine complexes of Fe(II), Ru(II), and Os(II) with a C2-symmetric chiral derivative of 2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1444","1454","10.1039/b512116g","","","0.71073","MoKα","","0.0792","0.0606","","","0.1474","0.1569","","","","","","0.961","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006588","11.8288","0.0011","15.465","0.0014","15.8323","0.0014","117.65","0.009","93.33","0.011","110.796","0.01","2309.9","0.5","223","2","223","2","","","","","","","","7","P 1","P 1","1","","","","- C77 H83 Cl15 F12 N6 P2 Ru -","- C77 H83 Cl15 F12 N6 P2 Ru -","- C77 H83 Cl15 F12 N6 P2 Ru -","1","1","","Drahonovský, Dusan; Knof, Ulrich; Jungo, Laurence; Belser, Thomas; Neels, Antonia; Labat, Gaël Charles; Stoeckli-Evans, Helen; von Zelewsky, Alex","Stereoselectivity in the formation of tris-diimine complexes of Fe(II), Ru(II), and Os(II) with a C2-symmetric chiral derivative of 2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1444","1454","10.1039/b512116g","","","0.71073","MoKα","","0.0634","0.0612","","","0.165","0.167","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006589","14.9231","0.001","23.3654","0.0014","15.212","0.0009","90","","118.93","0.007","90","","4642.3","0.6","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H84 Cl18 F12 N6 P2 Ru -","- C78 H84 Cl18 F12 N6 P2 Ru -","- C156 H168 Cl36 F24 N12 P4 Ru2 -","2","1","","Drahonovský, Dusan; Knof, Ulrich; Jungo, Laurence; Belser, Thomas; Neels, Antonia; Labat, Gaël Charles; Stoeckli-Evans, Helen; von Zelewsky, Alex","Stereoselectivity in the formation of tris-diimine complexes of Fe(II), Ru(II), and Os(II) with a C2-symmetric chiral derivative of 2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1444","1454","10.1039/b512116g","","","0.71073","MoKα","","0.1137","0.0562","","","0.1164","0.1316","","","","","","0.855","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006590","11.5876","0.0007","15.649","0.0011","15.6557","0.0012","119.681","0.008","90.714","0.008","111.307","0.008","2232","0.4","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C72 H84 F12 N6 Os P2 -","- C72 H84 F12 N6 Os P2 -","- C72 H84 F12 N6 Os P2 -","1","1","","Drahonovský, Dusan; Knof, Ulrich; Jungo, Laurence; Belser, Thomas; Neels, Antonia; Labat, Gaël Charles; Stoeckli-Evans, Helen; von Zelewsky, Alex","Stereoselectivity in the formation of tris-diimine complexes of Fe(II), Ru(II), and Os(II) with a C2-symmetric chiral derivative of 2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1444","1454","10.1039/b512116g","","","0.71073","MoKα","","0.0811","0.0724","","","0.1798","0.1862","","","","","","1.059","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006591","14.8936","0.0013","21.6543","0.0012","15.3712","0.0012","90","","118.321","0.006","90","","4364","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C86 H108 F6 N6 O10 Os S2 -","- C72 H84 N6 Os -","- C144 H168 N12 Os2 -","2","1","","Drahonovský, Dusan; Knof, Ulrich; Jungo, Laurence; Belser, Thomas; Neels, Antonia; Labat, Gaël Charles; Stoeckli-Evans, Helen; von Zelewsky, Alex","Stereoselectivity in the formation of tris-diimine complexes of Fe(II), Ru(II), and Os(II) with a C2-symmetric chiral derivative of 2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1444","1454","10.1039/b512116g","","","0.71073","MoKα","","0.113","0.0824","","","0.2013","0.2173","","","","","","0.905","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006592","10.306","0.003","32.019","0.011","13.807","0.005","90","","90","","90","","4556","3","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H65 Cl2 N5 O3 V -","- C47 H65 Cl2 N5 O3 V -","- C188 H260 Cl8 N20 O12 V4 -","4","1","","Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.","'Pincer' dicarbene complexes of some early transition metals and uranium.","Dalton transactions (Cambridge, England : 2003)","2006","","6","775","782","10.1039/b512133g","","","0.71073","MoKα","","0.1917","0.0656","","","0.0915","0.1215","","","","","","0.923","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006593","15.6919","0.0015","14.6332","0.0015","17.1157","0.0012","90","","102.828","0.007","90","","3832.1","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Br2 N5 O V -","- C39 H49 Br2 N5 O V -","- C156 H196 Br8 N20 O4 V4 -","4","1","","Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.","'Pincer' dicarbene complexes of some early transition metals and uranium.","Dalton transactions (Cambridge, England : 2003)","2006","","6","775","782","10.1039/b512133g","","","0.71073","MoKα","","0.1398","0.0755","","","0.1573","0.1831","","","","","","1.019","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006594","10.8934","0.0012","18.7259","0.0017","18.381","0.002","90","","94.051","0.008","90","","3740.1","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Cl3 N5 O V -","- C39 H49 Cl3 N5 O V -","- C156 H196 Cl12 N20 O4 V4 -","4","1","","Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.","'Pincer' dicarbene complexes of some early transition metals and uranium.","Dalton transactions (Cambridge, England : 2003)","2006","","6","775","782","10.1039/b512133g","","","0.71073","MoKα","","0.1282","0.0571","","","0.1078","0.1282","","","","","","1.017","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006595","10.8984","0.0008","18.7455","0.0011","18.6503","0.0014","90","","93.343","0.003","90","","3803.7","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Cl3 N5 O Ti -","- C39 H49 Cl3 N5 O Ti -","- C156 H196 Cl12 N20 O4 Ti4 -","4","1","","Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.","'Pincer' dicarbene complexes of some early transition metals and uranium.","Dalton transactions (Cambridge, England : 2003)","2006","","6","775","782","10.1039/b512133g","","","0.71073","MoKα","","0.1847","0.0841","","","0.1615","0.1964","","","","","","1.018","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7006596","34.563","0.0007","34.563","0.0007","41.0813","0.0015","90","","90","","120","","42501","2","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C82 H106 Br4 Cl0 Cr2 N10 O3 -","- C82 H106 Br4 Cr2 N10 O3 -","- C1476 H1908 Br72 Cr36 N180 O54 -","18","1","","Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.","'Pincer' dicarbene complexes of some early transition metals and uranium.","Dalton transactions (Cambridge, England : 2003)","2006","","6","775","782","10.1039/b512133g","","","0.71073","MoKα","","0.2029","0.0998","","","0.1998","0.2395","","","","","","1.038","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006597","10.6948","0.0008","18.7188","0.0014","19.2039","0.0019","90","","93.796","0.009","90","","3836.1","0.6","95","2","95","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Br2 Mn N5 O -","- C39 H49 Br2 Mn N5 O -","- C156 H196 Br8 Mn4 N20 O4 -","4","1","","Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.","'Pincer' dicarbene complexes of some early transition metals and uranium.","Dalton transactions (Cambridge, England : 2003)","2006","","6","775","782","10.1039/b512133g","","","0.71073","MoKα","","0.1373","0.0874","","","0.2042","0.2333","","","","","","1.059","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006598","10.803","0.007","18.707","0.011","18.838","0.017","90","","92.61","0.06","90","","3803","5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Cl3 N5 Nb O -","- C39 H49 Cl3 N5 Nb O -","- C156 H196 Cl12 N20 Nb4 O4 -","4","1","","Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.","'Pincer' dicarbene complexes of some early transition metals and uranium.","Dalton transactions (Cambridge, England : 2003)","2006","","6","775","782","10.1039/b512133g","","","0.71073","MoKα","","0.1973","0.0902","","","0.1446","0.1774","","","","","","1.012","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006599","10.7146","0.0008","18.384","0.002","20.229","0.004","90","","93.628","0.01","90","","3976.7","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Cl4 N5 O U -","- C39 H49 Cl4 N5 O U -","- C156 H196 Cl16 N20 O4 U4 -","4","1","","Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.","'Pincer' dicarbene complexes of some early transition metals and uranium.","Dalton transactions (Cambridge, England : 2003)","2006","","6","775","782","10.1039/b512133g","","","0.71073","MoKα","","0.0561","0.037","","","0.0715","0.0771","","","","","","1.021","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006600","16.699","0.005","19.125","0.005","22.226","0.006","90","","97.012","0.004","90","","7045","3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 Cl2 N5 O V -","- C35 H41 Cl2 N5 O V -","- C280 H328 Cl16 N40 O8 V8 -","8","2","","Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.","'Pincer' dicarbene complexes of some early transition metals and uranium.","Dalton transactions (Cambridge, England : 2003)","2006","","6","775","782","10.1039/b512133g","","","0.6868","synchrotron","","0.1342","0.0763","","","0.1795","0.2073","","","","","","0.969","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006601","16.851","0.003","12.707","0.004","21.564","0.004","90","","100.152","0.013","90","","4545.1","1.9","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H50 B2 F8 N8 O V -","- C41 H50 B2 F8 N8 O V -","- C164 H200 B8 F32 N32 O4 V4 -","4","1","","Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.","'Pincer' dicarbene complexes of some early transition metals and uranium.","Dalton transactions (Cambridge, England : 2003)","2006","","6","775","782","10.1039/b512133g","","","0.71073","MoKα","","0.0957","0.0604","","","0.1382","0.1564","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006602","10.802","0.009","13.63","0.013","32.45","0.02","90","","90","","90","","4778","7","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H49 Cl2 N6 O0 Ti -","- C39 H48.902 Cl2 N6 Ti -","- C156 H195.608 Cl8 N24 Ti4 -","4","1","","Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.","'Pincer' dicarbene complexes of some early transition metals and uranium.","Dalton transactions (Cambridge, England : 2003)","2006","","6","775","782","10.1039/b512133g","","","0.71073","MoKα","","0.1728","0.0944","","","0.1944","0.2221","","","","","","0.973","","","","has coordinates,has disorder","179770","2020-10-21","18:00:00",""
"7006603","10.746","0.002","11.256","0.002","11.771","0.002","61.9","0.03","88.15","0.03","70.07","0.03","1166.5","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","tetraglyme-complex of disodium oxidodiphenylmethanide","","","- C23 H32 Na2 O6 -","- C23 H32 Na2 O6 -","- C46 H64 Na4 O12 -","2","1","","Geier, Jens; Rüegger, Heinz; Grützmacher, Hansjörg","Sodium compounds of the benzophenone dianion (diphenyloxidomethanide).","Dalton transactions (Cambridge, England : 2003)","2006","","1","129","136","10.1039/b512173f","","","0.71073","MoKα","","0.104","0.0478","","","0.0892","0.1106","","","1.035","","","1.149","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006604","12.055","0.007","8.424","0.005","19.909","0.012","90","","94.618","0.009","90","","2015","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","THF-complex of disodium oxidodiphenylmethanide","","","- C21 H26 Na2 O3 -","- C21 H26 Na2 O3 -","- C84 H104 Na8 O12 -","4","1","","Geier, Jens; Rüegger, Heinz; Grützmacher, Hansjörg","Sodium compounds of the benzophenone dianion (diphenyloxidomethanide).","Dalton transactions (Cambridge, England : 2003)","2006","","1","129","136","10.1039/b512173f","","","0.71073","MoKα","","0.1712","0.0611","","","0.1155","0.1525","","","","","","0.936","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006605","16.3829","0.0009","26.8131","0.0015","30.0652","0.0017","67.108","0.001","89.543","0.001","78.144","0.001","11869.2","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Mixed cage-shaped aggregate of four units disodium oxidodiphenylmethanide and four units of sodium di-phenylmethanolate containing one unit sodium hydroxide in its interior, solvated by four molecules of MTBE. There is one additional molecule of mtbe per one cage in the crystal lattice.","","","- C129 H145 Na13 O14 -","- C129 H145 Na13 O14 -","- C516 H580 Na52 O56 -","4","2","","Geier, Jens; Rüegger, Heinz; Grützmacher, Hansjörg","Sodium compounds of the benzophenone dianion (diphenyloxidomethanide).","Dalton transactions (Cambridge, England : 2003)","2006","","1","129","136","10.1039/b512173f","","","0.71073","MoKα","","0.1587","0.0564","","","0.114","0.1394","","","","","","0.826","","","","has coordinates,has disorder","179770","2020-10-21","18:00:00",""
"7006606","21.777","0.003","21.777","0.003","12.378","0.003","90","","90","","120","","5083.7","1.6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","hexameric sodium diphenylmethanolate","hexameric sodium diphenylmethanolate","","- C78 H66 Na6 O6 -","- C78 H66 Na6 O6 -","- C234 H198 Na18 O18 -","3","0.166667","","Geier, Jens; Rüegger, Heinz; Grützmacher, Hansjörg","Sodium compounds of the benzophenone dianion (diphenyloxidomethanide).","Dalton transactions (Cambridge, England : 2003)","2006","","1","129","136","10.1039/b512173f","","","0.71073","MoKα","","0.0856","0.0485","","","0.1206","0.1419","","","","","","1.029","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006607","17.841","0.002","7.948","0.001","19.008","0.002","90","","114.59","0.002","90","","2450.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Dy N3 O2 -","- C26 H30 Dy N3 O2 -","- C104 H120 Dy4 N12 O8 -","4","1","","Zhang, Jie; Cai, Ruifang; Weng, Linhong; Zhou, Xigeng","Unusual modification methods for the ureido ligand of lanthanocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1168","1173","10.1039/b512200g","","","0.71073","MoKα","","0.0381","0.0311","","","0.0638","0.0664","","","","","","1.029","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006608","11.181","0.004","11.41","0.004","12.07","0.004","115.574","0.004","101.615","0.004","100.959","0.005","1291.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H58 Dy2 N4 O4 S2 -","- C54 H58 Dy2 N4 O4 S2 -","- C54 H58 Dy2 N4 O4 S2 -","1","0.5","","Zhang, Jie; Cai, Ruifang; Weng, Linhong; Zhou, Xigeng","Unusual modification methods for the ureido ligand of lanthanocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1168","1173","10.1039/b512200g","","","0.71073","MoKα","","0.0597","0.0516","","","0.1364","0.1409","","","","","","1.083","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006609","17.842","0.007","7.947","0.003","18.988","0.007","90","","114.686","0.004","90","","2446.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Er N3 O2 -","- C26 H30 Er N3 O2 -","- C104 H120 Er4 N12 O8 -","4","1","","Zhang, Jie; Cai, Ruifang; Weng, Linhong; Zhou, Xigeng","Unusual modification methods for the ureido ligand of lanthanocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1168","1173","10.1039/b512200g","","","0.71073","MoKα","","0.0482","0.0359","","","0.0807","0.0854","","","","","","0.984","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006610","11.192","0.003","11.414","0.004","12.089","0.004","115.648","0.004","101.544","0.004","100.942","0.004","1295.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H58 N4 O4 S2 Y2 -","- C54 H58 N4 O4 S2 Y2 -","- C54 H58 N4 O4 S2 Y2 -","1","0.5","","Zhang, Jie; Cai, Ruifang; Weng, Linhong; Zhou, Xigeng","Unusual modification methods for the ureido ligand of lanthanocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1168","1173","10.1039/b512200g","","","0.71073","MoKα","","0.071","0.0447","","","0.1001","0.1059","","","","","","0.921","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006611","11.741","0.0004","13.917","0.0004","19.083","0.0007","90","","90","","90","","3118.15","0.18","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","sa0435","","","- C13 H19 B Cl Fe N O2 -","- C13 H19 B Cl Fe N O2 -","- C104 H152 B8 Cl8 Fe8 N8 O16 -","8","1","","Kays Née Coombs, Deborah L; Rossin, Andrea; Day, Joanne K.; Ooi, Li-Ling; Aldridge, Simon","Synthetic and reaction chemistry of heteroatom stabilized boryl and cationic borylene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","2","399","410","10.1039/b512275a","","","0.71073","MoKα","","0.1048","0.0572","","","0.1157","0.1338","","","","","","1.038","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006612","13.0324","0.0002","13.9949","0.0002","19.1002","0.0003","68.708","0.001","83.743","0.001","87.48","0.001","3226.47","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H46 B2 F24 Fe N O3 P -","- C63 H46 B2 F24 Fe N O3 P -","- C126 H92 B4 F48 Fe2 N2 O6 P2 -","2","1","","Kays Née Coombs, Deborah L; Rossin, Andrea; Day, Joanne K.; Ooi, Li-Ling; Aldridge, Simon","Synthetic and reaction chemistry of heteroatom stabilized boryl and cationic borylene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","2","399","410","10.1039/b512275a","","","0.71073","MoKα","","0.1223","0.0718","","","0.1791","0.1992","","","","","","1.106","","","","has coordinates,has disorder","179770","2020-10-21","18:00:00",""
"7006613","22.319","0.0004","16.0297","0.0005","15.4055","0.0005","90","","133.211","0.001","90","","4017","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sa0416","","","- C152 H112 B4 F96 N4 -","- C38 H28 B F24 N -","- C152 H112 B4 F96 N4 -","4","0.5","","Kays Née Coombs, Deborah L; Rossin, Andrea; Day, Joanne K.; Ooi, Li-Ling; Aldridge, Simon","Synthetic and reaction chemistry of heteroatom stabilized boryl and cationic borylene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","2","399","410","10.1039/b512275a","","","0.71073","MoKα","","0.0964","0.0714","","","0.1763","0.1917","","","","","","1.035","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006614","8.33","0.0003","8.747","0.0003","14.54","0.0005","75.677","0.002","89.573","0.001","88.481","0.001","1026.13","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","sa0406","","","- C21 H26 B Cl Fe O3 -","- C21 H26 B Cl Fe O3 -","- C42 H52 B2 Cl2 Fe2 O6 -","2","1","","Kays Née Coombs, Deborah L; Rossin, Andrea; Day, Joanne K.; Ooi, Li-Ling; Aldridge, Simon","Synthetic and reaction chemistry of heteroatom stabilized boryl and cationic borylene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","2","399","410","10.1039/b512275a","","","0.71073","MoKα","","0.1143","0.0548","","","0.0987","0.1185","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006615","7.8325","0.0003","8.0671","0.0003","13.6886","0.0006","81.631","0.002","81.424","0.002","75.958","0.002","824.28","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","sa0405","","","- C16 H16 B Cl Fe O3 -","- C16 H16 B Cl Fe O3 -","- C32 H32 B2 Cl2 Fe2 O6 -","2","1","","Kays Née Coombs, Deborah L; Rossin, Andrea; Day, Joanne K.; Ooi, Li-Ling; Aldridge, Simon","Synthetic and reaction chemistry of heteroatom stabilized boryl and cationic borylene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","2","399","410","10.1039/b512275a","","","0.71073","MoKα","","0.0913","0.0516","","","0.1113","0.1359","","","","","","1.16","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006616","14.4401","0.0004","9.7496","0.0003","14.5657","0.0006","90","","91.901","0.001","90","","2049.51","0.12","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","sa0404","","","- C22 H21 B Fe O3 S -","- C22 H21 B Fe O3 S -","- C88 H84 B4 Fe4 O12 S4 -","4","1","","Kays Née Coombs, Deborah L; Rossin, Andrea; Day, Joanne K.; Ooi, Li-Ling; Aldridge, Simon","Synthetic and reaction chemistry of heteroatom stabilized boryl and cationic borylene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","2","399","410","10.1039/b512275a","","","0.71073","MoKα","","0.1027","0.0534","","","0.1088","0.1295","","","","","","1.037","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006617","15.406","0.003","20.736","0.004","19.089","0.004","90","","103.003","0.004","90","","5942","2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H98 O8 Si6 Y2 -","- C40 H98 O8 Si6 Y2 -","- C160 H392 O32 Si24 Y8 -","4","1","","Elvidge, Benjamin R.; Arndt, Stefan; Spaniol, Thomas P.; Okuda, Jun","Synthesis, structure and hydrosilylation activity of neutral and cationic rare-earth metal silanolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","7","890","901","10.1039/b512285f","","","0.71073","MoKα","","0.1679","0.0661","","","0.1216","0.1511","","","","","","0.935","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006618","15.337","0.003","20.339","0.003","19.066","0.003","90","","103.614","0.005","90","","5780.3","1.7","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H98 O8 Sc2 Si6 -","- C40 H98 O8 Sc2 Si6 -","- C160 H392 O32 Sc8 Si24 -","4","1","","Elvidge, Benjamin R.; Arndt, Stefan; Spaniol, Thomas P.; Okuda, Jun","Synthesis, structure and hydrosilylation activity of neutral and cationic rare-earth metal silanolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","7","890","901","10.1039/b512285f","","","0.71073","MoKα","","0.0988","0.0743","","","0.1591","0.1748","","","","","","1.188","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006619","11.9494","0.0007","13.9573","0.0009","14.4939","0.0009","86.712","0.001","76.002","0.001","88.549","0.001","2341.5","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H81 Lu O12 Si3 -","- C36 H81 Lu O12 Si3 -","- C72 H162 Lu2 O24 Si6 -","2","1","","Elvidge, Benjamin R.; Arndt, Stefan; Spaniol, Thomas P.; Okuda, Jun","Synthesis, structure and hydrosilylation activity of neutral and cationic rare-earth metal silanolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","7","890","901","10.1039/b512285f","","","0.71073","MoKα","","0.0459","0.0392","","","0.0967","0.1109","","","","","","1.128","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006620","13.05","0.0012","25.186","0.002","25.083","0.002","90","","94.606","0.002","90","","8217.6","1.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H123 B2 O11 Si Y -","- C88 H123 B2 O11 Si Y -","- C352 H492 B8 O44 Si4 Y4 -","4","1","","Elvidge, Benjamin R.; Arndt, Stefan; Spaniol, Thomas P.; Okuda, Jun","Synthesis, structure and hydrosilylation activity of neutral and cationic rare-earth metal silanolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","7","890","901","10.1039/b512285f","","","0.71073","MoKα","","0.1011","0.0479","","","0.0969","0.1144","","","","","","1.002","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006621","13.2972","0.0012","15.5508","0.0014","23.798","0.002","99.359","0.002","102.082","0.002","104.52","0.002","4536.4","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H71 Cu N3 O5 -","- C48 H70 Cu N3 O5 -","- C192 H280 Cu4 N12 O20 -","4","2","","Nairn, Alison K.; Archibald, Stephen J.; Bhalla, Rajiv; Gilbert, Bruce C.; Maclean, Elizabeth J.; Teat, Simon J.; Walton, Paul H.","(N-Benzyl-bis-N',N''-salicylidene)-cis-1,3,5-triaminocyclohexane copper(II): a novel catalyst for the aerobic oxidation of benzyl alcohol.","Dalton transactions (Cambridge, England : 2003)","2006","","1","172","176","10.1039/b512296c","","","0.6883","Synchrotron","","0.076","0.0612","","","0.1598","0.1658","","","","","","0.918","","","","has coordinates,has disorder","179770","2020-10-21","18:00:00",""
"7006622","26.603","0.0018","17.7546","0.0012","18.4891","0.0013","90","","125.483","0.001","90","","7111.1","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H43 Cu N6 P -","- C37 H43 Cu N6 P -","- C296 H344 Cu8 N48 P8 -","8","1","","Krummenacher, Ivo; Rüegger, Heinz; Breher, Frank","Coinage metal complexes of tris(pyrazolyl)methanide [C(3,5-Me2pz)3]-: kappa3-coordination vs. backbone functionalisation.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1073","1081","10.1039/b512309g","","","0.71073","MoKα","","0.0397","0.0349","","","0.0975","0.1016","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7006623","10.392","0.002","11.069","0.003","11.705","0.003","96.346","0.005","104.986","0.005","112.169","0.005","1171.4","0.5","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H30 Cu N6 O3 P -","- C19 H30 Cu N6 O3 P -","- C38 H60 Cu2 N12 O6 P2 -","2","1","","Krummenacher, Ivo; Rüegger, Heinz; Breher, Frank","Coinage metal complexes of tris(pyrazolyl)methanide [C(3,5-Me2pz)3]-: kappa3-coordination vs. backbone functionalisation.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1073","1081","10.1039/b512309g","","","0.71073","MoKα","","0.0799","0.0593","","","0.1547","0.1694","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006624","13.5388","0.0008","14.3354","0.0009","20.4554","0.0011","90","","94.59","0.002","90","","3957.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 Ag N6 P -","- C43 H45 Ag N6 P -","- C172 H180 Ag4 N24 P4 -","4","1","","Krummenacher, Ivo; Rüegger, Heinz; Breher, Frank","Coinage metal complexes of tris(pyrazolyl)methanide [C(3,5-Me2pz)3]-: kappa3-coordination vs. backbone functionalisation.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1073","1081","10.1039/b512309g","","","0.71073","MoKα","","0.0577","0.0398","","","0.0845","0.09","","","","","","0.929","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006625","9.0963","0.0005","11.8099","0.0007","16.4408","0.0009","74.039","0.001","80.507","0.001","69.707","0.001","1587.95","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Au N6 P -","- C34 H36 Au N6 P -","- C68 H72 Au2 N12 P2 -","2","1","","Krummenacher, Ivo; Rüegger, Heinz; Breher, Frank","Coinage metal complexes of tris(pyrazolyl)methanide [C(3,5-Me2pz)3]-: kappa3-coordination vs. backbone functionalisation.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1073","1081","10.1039/b512309g","","","0.71073","MoKα","","0.0471","0.0424","","","0.0928","0.0951","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006626","8.5889","0.0013","18.95","0.003","12.6315","0.0019","90","","97.277","0.003","90","","2039.3","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H53 Cl Co N7 O13 -","- C33 H51 Cl Co N7 O13 -","- C66 H102 Cl2 Co2 N14 O26 -","2","1","","Failes, Timothy W.; Hambley, Trevor W.","Models of hypoxia activated prodrugs: Co(III) complexes of hydroxamic acids.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1895","1901","10.1039/b512322d","","","0.71073","MoKα","","0.0309","0.0297","","","0.0797","0.0804","","","","","","1.029","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006627","16.339","0.009","18.173","0.01","16.754","0.009","90","","102.061","0.01","90","","4865","5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 Cl3 Co2 N10 O18 -","- C40 H43 Cl3 Co2 N10 O18 -","- C160 H172 Cl12 Co8 N40 O72 -","4","1","","Failes, Timothy W.; Hambley, Trevor W.","Models of hypoxia activated prodrugs: Co(III) complexes of hydroxamic acids.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1895","1901","10.1039/b512322d","","","0.71073","MoKα","","0.1278","0.0592","","","0.1393","0.1818","","","","","","1.007","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006628","10.819","0.002","14.213","0.003","32.478","0.007","90","","90.463","0.004","90","","4994","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 Cl0.5 Co N5 O8 -","- C21 H23 Cl0.5 Co N5 O9 -","- C168 H184 Cl4 Co8 N40 O72 -","8","1","","Failes, Timothy W.; Hambley, Trevor W.","Models of hypoxia activated prodrugs: Co(III) complexes of hydroxamic acids.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1895","1901","10.1039/b512322d","","","0.71073","MoKα","","0.0649","0.0572","","","0.1552","0.16","","","","","","1.11","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006629","19.72","0.007","18.459","0.007","17.196","0.006","90","","124.426","0.006","90","","5163","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 Cl1.5 Co N5 O8 -","- C21 H24 Cl1.5 Co N5 O8 -","- C168 H192 Cl12 Co8 N40 O64 -","8","1","","Failes, Timothy W.; Hambley, Trevor W.","Models of hypoxia activated prodrugs: Co(III) complexes of hydroxamic acids.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1895","1901","10.1039/b512322d","","","0.71073","MoKα","","0.2021","0.0825","","","0.2141","0.3149","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006630","15.043","0.002","13.3573","0.0017","14.6063","0.0019","90","","103.44","0.002","90","","2854.5","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Cl Co N5 O8 -","- C25 H23 Cl Co N5 O8 -","- C100 H92 Cl4 Co4 N20 O32 -","4","1","","Failes, Timothy W.; Hambley, Trevor W.","Models of hypoxia activated prodrugs: Co(III) complexes of hydroxamic acids.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1895","1901","10.1039/b512322d","","","0.71073","MoKα","","0.059","0.0542","","","0.1661","0.1718","","","","","","1.042","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006631","12.2788","0.0016","12.2789","0.0016","34.654","0.005","90","","95.468","0.002","90","","5201","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl Co N5 O6.5 -","- C20 H22 Cl Co N5 O6.5 -","- C160 H176 Cl8 Co8 N40 O52 -","8","1","","Failes, Timothy W.; Hambley, Trevor W.","Models of hypoxia activated prodrugs: Co(III) complexes of hydroxamic acids.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1895","1901","10.1039/b512322d","","","0.71073","MoKα","","0.0607","0.0499","","","0.1318","0.1371","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006632","23.9504","0.0007","15.1397","0.0004","7.745","0.0002","90","","102.484","0.001","90","","2741.95","0.13","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis [mu-oxo ((E)-N'-(1-(pyridin-2-yl)ethylidene)nicotinohydrazonium) oxovanadium(V))] sesquihydrate","","- C26 H25 N8 O7.5 V2 -","- C26 H24 N8 O7.5 V2 -","- C104 H96 N32 O30 V8 -","4","0.5","","Maurya, Mannar R.; Agarwal, Shalu; Abid, Mohammad; Azam, Amir; Bader, Cerstin; Ebel, Martin; Rehder, Dieter","Synthesis, characterisation, reactivity and in vitro antiamoebic activity of hydrazone based oxovanadium(IV), oxovanadium(V) and mu-bis(oxo)bis{oxovanadium(V)} complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","7","937","947","10.1039/b512326g","","","0.71073","MoKα","","0.0484","0.0406","","","0.1165","0.1199","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006633","24.432","0.002","14.353","0.004","24.639","0.003","90","","108.599","0.009","90","","8189","3","150","2","150","2","","","","","","","synthesized by the authors","4","C 1 2/c 1","-C 2yc","15","","","","- B11 Cl H10 S -","- B11 Cl H10 S -","- B352 Cl32 H320 S32 -","32","4","","Machácek, Jan; Plesek, Jaromír; Holub, Josef; Hnyk, Drahomír; Vsetecka, Václav; Císarová, Ivana; Kaupp, Martin; Stíbr, Bohumil","New route to 1-thia-closo-dodecaborane(11), closo-1-SB11H11, and its halogenation reactions. The effect of the halogen on the dipole moments and the NMR spectra and the importance of spin-orbit coupling for the 11B chemical shifts.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1024","1029","10.1039/b512345c","","","0.71069","MoKα","","0.0376","0.0248","","","0.0667","0.0736","","","","","","1.016","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006634","7.258","0.002","13.26","0.003","11.463","0.002","90","","90.18","0.02","90","","1103.2","0.4","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/n 1","-P 2yn","14","","","","- B11 H10 I S -","- B11 H10 I S -","- B44 H40 I4 S4 -","4","1","","Machácek, Jan; Plesek, Jaromír; Holub, Josef; Hnyk, Drahomír; Vsetecka, Václav; Císarová, Ivana; Kaupp, Martin; Stíbr, Bohumil","New route to 1-thia-closo-dodecaborane(11), closo-1-SB11H11, and its halogenation reactions. The effect of the halogen on the dipole moments and the NMR spectra and the importance of spin-orbit coupling for the 11B chemical shifts.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1024","1029","10.1039/b512345c","","","0.71069","MoKα","","0.0239","0.0216","","","0.0554","0.0567","","","","","","1.092","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006635","9.8064","0.0006","12.5128","0.0007","15.6712","0.0011","90","","123.406","0.005","90","","1605.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H23 N3 O5 Pt -","- C11 H23 N3 O5 Pt -","- C44 H92 N12 O20 Pt4 -","4","1","","van Zutphen, Steven; Pantoja, Elena; Soriano, Rosario; Soro, Carlos; Tooke, Duncan M.; Spek, Anthony L.; den Dulk, Hans; Brouwer, Jaap; Reedijk, Jan","New antitumour active platinum compounds containing carboxylate ligands in trans geometry: synthesis, crystal structure and biological activity.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1020","1023","10.1039/b512357g","","","0.71073","MoKα","","0.0604","0.0287","","","0.0459","0.0519","","","","","","1.013","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006636","12.123","0.005","22.873","0.007","12.63","0.012","90","","104.96","0.05","90","","3383","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl2 N6 O8 Ru S2 -","- C30 H30 Cl2 N6 O8 Ru S2 -","- C120 H120 Cl8 N24 O32 Ru4 S8 -","4","1","","Murali, Mariappan; Palaniandavar, Mallayan","Synthesis, structure and spectral and redox properties of new mixed ligand monomeric and dimeric Ru(II) complexes: predominant formation of the ""cis-alpha"" diastereoisomer and unusual 3MC emission by dimeric complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","730","743","10.1039/b512382h","","","0.71073","MoKα","","0.1035","0.0585","","","0.1551","0.2156","","","","","","1.074","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006637","12.114","0.005","14.316","0.003","23.104","0.009","90","","90","","90","","4007","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 Cl4 N4 O8 Ru2 S4 -","- C32 H40 Cl4 N4 O8 Ru2 S4 -","- C128 H160 Cl16 N16 O32 Ru8 S16 -","4","1","","Murali, Mariappan; Palaniandavar, Mallayan","Synthesis, structure and spectral and redox properties of new mixed ligand monomeric and dimeric Ru(II) complexes: predominant formation of the ""cis-alpha"" diastereoisomer and unusual 3MC emission by dimeric complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","730","743","10.1039/b512382h","","","0.71073","MoKα","","0.1155","0.0788","","","0.186","0.2144","","","","","","1.053","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006638","14.3603","0.0003","11.9427","0.0002","19.9032","0.0002","90","","105.29","0.001","90","","3292.59","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Cl2 N5 O9 Ru S2 -","- C26 H31 Cl2 N5 O8.99 Ru S2 -","- C104 H124 Cl8 N20 O35.96 Ru4 S8 -","4","1","","Murali, Mariappan; Palaniandavar, Mallayan","Synthesis, structure and spectral and redox properties of new mixed ligand monomeric and dimeric Ru(II) complexes: predominant formation of the ""cis-alpha"" diastereoisomer and unusual 3MC emission by dimeric complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","730","743","10.1039/b512382h","","","0.71073","MoKα","","0.1378","0.0951","","","0.2498","0.3004","","","","","","1.093","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006639","14.271","0.002","24.413","0.002","12.241","0.004","90","","120.99","0.011","90","","3656","1.4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 F12 N4 O P2 Ru S2 -","- C28 H28 F12 N4 O P2 Ru S2 -","- C112 H112 F48 N16 O4 P8 Ru4 S8 -","4","0.5","","Murali, Mariappan; Palaniandavar, Mallayan","Synthesis, structure and spectral and redox properties of new mixed ligand monomeric and dimeric Ru(II) complexes: predominant formation of the ""cis-alpha"" diastereoisomer and unusual 3MC emission by dimeric complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","730","743","10.1039/b512382h","","","0.71073","MoKα","","0.0662","0.0582","","","0.1733","0.1839","","","","","","1.136","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006640","25.4468","0.0008","20.6003","0.0005","23.6113","0.0007","90","","108.245","0.0004","90","","11755","0.6","173.15","","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H102 N P Pd Si6 -","- C51 H102 N P Pd Si6 -","- C408 H816 N8 P8 Pd8 Si48 -","8","2","","Iwamoto, Takeaki; Sekiguchi, Yumiko; Yoshida, Naoki; Kabuto, Chizuko; Kira, Mitsuo","Ligand dependence of pi-complex character in disilene-palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","177","182","10.1039/b512414j","","","0.7107","MoKα","","0.0679","0.0631","","","0.1157","0.1178","","","","","","1.233","","","","has coordinates,has disorder","179770","2020-10-21","18:00:00",""
"7006641","12.988","0.004","13.561","0.004","16.667","0.005","97.695","0.002","104.615","0.002","114.174","0.003","2496.2","1.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H78 N2 Pd Si6 -","- C42 H78 N2 Pd Si6 -","- C84 H156 N4 Pd2 Si12 -","2","1","","Iwamoto, Takeaki; Sekiguchi, Yumiko; Yoshida, Naoki; Kabuto, Chizuko; Kira, Mitsuo","Ligand dependence of pi-complex character in disilene-palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","177","182","10.1039/b512414j","","","0.7107","MoKα","","0.0686","0.0538","","","0.1019","0.1112","","","","","","1.138","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006642","11.326","0.003","11.988","0.003","19.426","0.005","93.507","0.003","94.393","0.003","100.588","0.004","2577.4","1.2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H82 P2 Pd Si6 -","- C40 H82 P2 Pd Si6 -","- C80 H164 P4 Pd2 Si12 -","2","1","","Iwamoto, Takeaki; Sekiguchi, Yumiko; Yoshida, Naoki; Kabuto, Chizuko; Kira, Mitsuo","Ligand dependence of pi-complex character in disilene-palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","177","182","10.1039/b512414j","","","0.7107","MoKα","","0.0671","0.0503","","","0.081","0.0882","","","","","","1.097","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006643","18.114","0.004","21.802","0.005","11.028","0.002","90","","90","","90","","4355.2","1.6","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C44 H41 B Cl5 F4 N Ni P2 -","- C44 H41 B Cl5 F4 N Ni P2 -","- C176 H164 B4 Cl20 F16 N4 Ni4 P8 -","4","0.5","","Schneider, Sabine K.; Julius, Gerrit R.; Loschen, Christoph; Raubenheimer, Helgard G.; Frenking, Gernot; Herrmann, Wolfgang A.","A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(II) obtained by oxidative substitution.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1226","1233","10.1039/b512419k","","","0.71073","MoKα","","0.074","0.0537","","","0.1271","0.1399","","","","","","1.031","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006644","9.7256","0.0012","19.822","0.003","21.939","0.003","90","","92.392","0.003","90","","4225.7","1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H40 B Cl4 F4 N Ni P2 -","- C43.5 H40 B Cl4 F4 N Ni P2 -","- C174 H160 B4 Cl16 F16 N4 Ni4 P8 -","4","1","","Schneider, Sabine K.; Julius, Gerrit R.; Loschen, Christoph; Raubenheimer, Helgard G.; Frenking, Gernot; Herrmann, Wolfgang A.","A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(II) obtained by oxidative substitution.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1226","1233","10.1039/b512419k","","","0.71073","MoKα","","0.1193","0.0685","","","0.1339","0.1544","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006645","10.8783","0.0009","19.9993","0.0016","22.3327","0.0018","90","","90","","90","","4858.7","0.7","100","2","100","2","","","","","","","","9","P b c m","-P 2c 2b","57","","","","- C49 H45 B Cl5 F4 N Ni O P2 -","- C49 H45 B Cl5 F4 N Ni O P2 -","- C196 H180 B4 Cl20 F16 N4 Ni4 O4 P8 -","4","0.5","","Schneider, Sabine K.; Julius, Gerrit R.; Loschen, Christoph; Raubenheimer, Helgard G.; Frenking, Gernot; Herrmann, Wolfgang A.","A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(II) obtained by oxidative substitution.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1226","1233","10.1039/b512419k","","","0.71073","MoKα","","0.1018","0.0608","","","0.1345","0.152","","","","","","1.028","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006646","9.07","0.0007","21.5846","0.0017","11.4543","0.0009","90","","94.326","0.002","90","","2236","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C43 H42 B Cl5 F4 N2 Ni P2 -","- C43 H42 B Cl5 F4 N2 Ni P2 -","- C86 H84 B2 Cl10 F8 N4 Ni2 P4 -","2","1","","Schneider, Sabine K.; Julius, Gerrit R.; Loschen, Christoph; Raubenheimer, Helgard G.; Frenking, Gernot; Herrmann, Wolfgang A.","A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(II) obtained by oxidative substitution.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1226","1233","10.1039/b512419k","","","0.71073","MoKα","","0.0607","0.0544","","","0.1284","0.1326","","","","","","1.034","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006647","14.186","0.006","10.679","0.005","17.678","0.008","90","","92.549","0.002","90","","2675","2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl N O3 P Pd S -","- C25 H33 Cl N O3 P Pd S -","- C100 H132 Cl4 N4 O12 P4 Pd4 S4 -","4","1","","Kochi, Takuya; Yoshimura, Kenji; Nozaki, Kyoko","Synthesis of anionic methylpalladium complexes with phosphine-sulfonate ligands and their activities for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2006","","1","25","27","10.1039/b512452m","","","0.7107","MoKα","","0.0458","0.0436","","","0.1192","0.1208","","","","","","1.058","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006648","12.229","0.0002","10.1039","0.0001","34.6544","0.0007","90","","91.2424","0.0005","90","","4280.91","0.12","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H43 Cl2 N9 O10 Zn2 -","- C39 H43 Cl2 N9 O10 Zn2 -","- C156 H172 Cl8 N36 O40 Zn8 -","4","1","","Berreau, Lisa M.; Saha, Amrita; Arif, Atta M.","Thioester hydrolysis reactivity of zinc hydroxide complexes: investigating reactivity relevant to glyoxalase II enzymes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","183","192","10.1039/b512515d","","","0.71073","MoKα","","0.1014","0.0488","","","0.0854","0.0975","","","","","","1.039","","","","has coordinates,has disorder","179770","2020-10-21","18:00:00",""
"7006649","11.4472","0.0007","11.4472","0.0007","37.628","0.002","90","","90","","90","","4930.7","0.5","150","1","150","1","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","","","- C39.5 H60.5 Cl3 N8.5 O10 Zn2 -","- C39 H60.5 Cl3.18 N8.5 O10 Zn2 -","- C156 H242 Cl12.72 N34 O40 Zn8 -","4","0.5","","Berreau, Lisa M.; Saha, Amrita; Arif, Atta M.","Thioester hydrolysis reactivity of zinc hydroxide complexes: investigating reactivity relevant to glyoxalase II enzymes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","183","192","10.1039/b512515d","","","0.71073","MoKα","","0.0952","0.0556","","","0.1034","0.1196","","","","","","1.1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006650","16.5217","0.0003","16.3421","0.0002","19.4004","0.0004","90","","112.834","0.0008","90","","4827.59","0.15","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H60 Cl2 N10 O10 Zn2 -","- C40 H60 Cl2 N10 O10 Zn2 -","- C160 H240 Cl8 N40 O40 Zn8 -","4","0.5","","Berreau, Lisa M.; Saha, Amrita; Arif, Atta M.","Thioester hydrolysis reactivity of zinc hydroxide complexes: investigating reactivity relevant to glyoxalase II enzymes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","183","192","10.1039/b512515d","","","0.71073","MoKα","","0.0628","0.054","","","0.1267","0.1302","","","","","","1.22","","","","has coordinates,has disorder","179770","2020-10-21","18:00:00",""
"7006651","6.52","0.0004","19.3181","0.0011","9.6743","0.0006","90","","106.089","0.001","90","","1170.79","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H35 N3 O4 S -","- C23 H35 N3 O4 S -","- C46 H70 N6 O8 S2 -","2","1","","Seitz, Markus; Capacchione, Carmine; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Ward, Benjamin D.; Gade, Lutz H.","Bisoxazolines with one and two sidearms: stereodirecting ligands for copper-catalysed asymmetric allylic oxidations of alkenes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","193","202","10.1039/b512570g","","x-ray","0.71073","MoKα","","0.0593","0.0445","","","0.0982","0.1071","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006652","9.3854","0.0012","14.6399","0.0018","19.322","0.002","90","","90","","90","","2654.9","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 Cu N3 O7 -","- C24 H35 Cu N3 O7 -","- C96 H140 Cu4 N12 O28 -","4","1","","Seitz, Markus; Capacchione, Carmine; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Ward, Benjamin D.; Gade, Lutz H.","Bisoxazolines with one and two sidearms: stereodirecting ligands for copper-catalysed asymmetric allylic oxidations of alkenes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","193","202","10.1039/b512570g","","x-ray","0.71073","MoKα","","0.0921","0.0742","","","0.1926","0.2045","","","","","","1.072","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006653","9.3203","0.0006","10.7524","0.0008","16.0394","0.0011","90","","104.198","0.002","90","","1558.3","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H41 Cu N3 O8 S -","- C27 H41 Cu N3 O8 S -","- C54 H82 Cu2 N6 O16 S2 -","2","1","","Seitz, Markus; Capacchione, Carmine; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Ward, Benjamin D.; Gade, Lutz H.","Bisoxazolines with one and two sidearms: stereodirecting ligands for copper-catalysed asymmetric allylic oxidations of alkenes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","193","202","10.1039/b512570g","","x-ray","0.71073","MoKα","","0.0717","0.0534","","","0.1291","0.1384","","","","","","1.057","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006654","9.194","0.001","16.122","0.002","19.152","0.006","90","","90","","90","","2838.8","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 Cu N4 O6 -","- C29 H38 Cu N4 O6 -","- C116 H152 Cu4 N16 O24 -","4","1","","Seitz, Markus; Capacchione, Carmine; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Ward, Benjamin D.; Gade, Lutz H.","Bisoxazolines with one and two sidearms: stereodirecting ligands for copper-catalysed asymmetric allylic oxidations of alkenes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","193","202","10.1039/b512570g","","x-ray","0.71073","MoKα","","0.0688","0.0465","","","0.0892","0.1082","","","","","","1.095","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006655","13.792","0.004","10.21","0.006","16.418","0.005","90","","109.45","0.03","90","","2180","1.6","200","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,2-bis(DMT-TTF-CONH-5-Py), 2DMF","","","- C34 H36 N6 O4 S12 -","- C34 H36 N6 O4 S12 -","- C68 H72 N12 O8 S24 -","2","0.5","","Devic, Thomas; Rondeau, David; Sahin, Yücel; Levillain, Eric; Clérac, Rodolphe; Batail, Patrick; Avarvari, Narcis","Copper(I/II) complexes of a bis(tetrathiafulvalene)-2,2'-bipyridine: synthesis, characterization, magnetic and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1331","1337","10.1039/b512598g","","","0.71073","MoKα","","0.1186","0.0544","","","0.0967","0.1189","","","","","","1.001","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006656","8.6139","0.0013","10.3442","0.0012","12.8159","0.0008","89.901","0.007","71.596","0.009","81.283","0.01","1069.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2,2-bis(DMT-TTF-CONH-5-Py), 2DMF","","","- C34 H36 N6 O4 S12 -","- C34 H36 N6 O4 S12 -","- C34 H36 N6 O4 S12 -","1","0.5","","Devic, Thomas; Rondeau, David; Sahin, Yücel; Levillain, Eric; Clérac, Rodolphe; Batail, Patrick; Avarvari, Narcis","Copper(I/II) complexes of a bis(tetrathiafulvalene)-2,2'-bipyridine: synthesis, characterization, magnetic and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1331","1337","10.1039/b512598g","","","0.71073","MoKα","","0.1227","0.0501","","","0.1069","0.1413","","","","","","1.053","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006657","19.764","0.002","28.797","0.003","14.6062","0.0012","90","","122.316","0.007","90","","7025.4","1.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(2,2-bis(DMT-TTF-CONH-3-Py))Cu(DMF)3(CF3SO3),2DMF","","","- C45 H57 Cu F6 N9 O13 S14 -","- C45 H57 Cu F6 N9 O13 S14 -","- C180 H228 Cu4 F24 N36 O52 S56 -","4","1","","Devic, Thomas; Rondeau, David; Sahin, Yücel; Levillain, Eric; Clérac, Rodolphe; Batail, Patrick; Avarvari, Narcis","Copper(I/II) complexes of a bis(tetrathiafulvalene)-2,2'-bipyridine: synthesis, characterization, magnetic and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1331","1337","10.1039/b512598g","","","0.71073","MoKα","","0.1996","0.0879","","","0.2157","0.2667","","","","","","1.02","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006658","8.3011","0.0002","9.7422","0.0003","10.7146","0.0003","87.201","0.001","76.277","0.001","68.507","0.001","782.54","0.04","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H36 As Cl N O4 Rh -","- C32 H36 As Cl N O4 Rh -","- C32 H36 As Cl N O4 Rh -","1","1","","Meyer, Christian; Scherer, Markus; Schönberg, Hartmut; Rüegger, Heinz; Loss, Sandra; Gramlich, Volker; Grützmacher, Hansjörg","Coordination chemistry of phosphanyl amino acids: solid state and solution structures of neutral and cationic rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","137","148","10.1039/b512653c","","","0.71073","MoKα","","0.0486","0.0423","","","0.1046","0.1076","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006659","10.7543","0.0003","11.7575","0.0002","16.8367","0.0004","104.312","0.001","91.873","0.001","112.649","0.001","1884.17","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H40 Cl N2 O5 P Rh -","- C35 H40 Cl N2 O5 P Rh -","- C70 H80 Cl2 N4 O10 P2 Rh2 -","2","1","","Meyer, Christian; Scherer, Markus; Schönberg, Hartmut; Rüegger, Heinz; Loss, Sandra; Gramlich, Volker; Grützmacher, Hansjörg","Coordination chemistry of phosphanyl amino acids: solid state and solution structures of neutral and cationic rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","137","148","10.1039/b512653c","","","0.71073","MoKα","","0.0688","0.0557","","","0.159","0.1714","","","","","","1.188","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7006660","21.339","0.016","30.582","0.015","9.52","0.005","90","","90.55","0.05","90","","6212","6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl N O4 P Rh -","- C32 H36 Cl N O4 P Rh -","- C256 H288 Cl8 N8 O32 P8 Rh8 -","8","2","","Meyer, Christian; Scherer, Markus; Schönberg, Hartmut; Rüegger, Heinz; Loss, Sandra; Gramlich, Volker; Grützmacher, Hansjörg","Coordination chemistry of phosphanyl amino acids: solid state and solution structures of neutral and cationic rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","137","148","10.1039/b512653c","","","1.54178","CuKα","","0.0743","0.044","","","0.1067","0.1216","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006661","15.575","0.008","10.255","0.005","19.572","0.01","90","","90.06","0.04","90","","3126","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39.5 Cl N1.5 O4 P Rh -","- C30 H39.5 Cl N1.5 O4 P Rh -","- C120 H158 Cl4 N6 O16 P4 Rh4 -","4","1","","Meyer, Christian; Scherer, Markus; Schönberg, Hartmut; Rüegger, Heinz; Loss, Sandra; Gramlich, Volker; Grützmacher, Hansjörg","Coordination chemistry of phosphanyl amino acids: solid state and solution structures of neutral and cationic rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","137","148","10.1039/b512653c","","","1.54178","CuKα","","0.0664","0.0445","","","0.1099","0.1193","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006662","11.9876","0.0004","20.4369","0.0006","15.942","0.0005","90","","99.365","0.001","90","","3853.6","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H69 Fe2 Mn N12 O38.5 -","- C68 H50 Fe2 Mn N12 O38.5 -","- C136 H100 Fe4 Mn2 N24 O77 -","2","1","","Sun, Yan-Qiong; Zhang, Jie; Yang, Guo-Yu","Molecular self-assemblies of a pi-conjugated redox-active bipyridinium cation with magnetic dimetallic oxalate-bridged trimeric clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1685","1690","10.1039/b512695a","","","0.71073","MoKα","","0.0405","0.0387","","","0.1046","0.1062","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006663","11.9844","0.0005","20.3785","0.0007","15.8706","0.0006","90","","99.328","0.002","90","","3824.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H69 Co Fe2 N12 O38.5 -","- C68 H50 Co Fe2 N12 O38.5 -","- C136 H100 Co2 Fe4 N24 O77 -","2","1","","Sun, Yan-Qiong; Zhang, Jie; Yang, Guo-Yu","Molecular self-assemblies of a pi-conjugated redox-active bipyridinium cation with magnetic dimetallic oxalate-bridged trimeric clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1685","1690","10.1039/b512695a","","","0.71073","MoKα","","0.0559","0.0478","","","0.1201","0.1263","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006664","12.059","0.003","20.686","0.005","16.154","0.004","90","","98.544","0.003","90","","3984.9","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H69 Cr2 Mn N12 O38.5 -","- C68 H40 Cr2 Mn N12 O38.5 -","- C136 H80 Cr4 Mn2 N24 O77 -","2","1","","Sun, Yan-Qiong; Zhang, Jie; Yang, Guo-Yu","Molecular self-assemblies of a pi-conjugated redox-active bipyridinium cation with magnetic dimetallic oxalate-bridged trimeric clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1685","1690","10.1039/b512695a","","","0.71073","MoKα","","0.1642","0.1058","","","0.202","0.2377","","","","","","0.918","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006665","12.0013","0.0012","20.4966","0.0018","16.0309","0.0015","90","","98.605","0.005","90","","3899","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H69 Co Cr2 N12 O38.5 -","- C68 H48 Co Cr2 N12 O38.5 -","- C136 H96 Co2 Cr4 N24 O77 -","2","1","","Sun, Yan-Qiong; Zhang, Jie; Yang, Guo-Yu","Molecular self-assemblies of a pi-conjugated redox-active bipyridinium cation with magnetic dimetallic oxalate-bridged trimeric clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1685","1690","10.1039/b512695a","","","0.71073","MoKα","","0.0963","0.0712","","","0.1722","0.1906","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006666","12.9195","0.0003","18.8911","0.0004","16.7243","0.0002","90","","103.423","0.001","90","","3970.29","0.13","168.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 N4 S Si4 Ta -","- C30 H37 N4 S Si4 Ta -","- C120 H148 N16 S4 Si16 Ta4 -","4","0.5","","Mullins, Sarah M.; Bergman, Robert G.; Arnold, John","Olefination and group transfer reactions of an electron deficient tantalum methylidene complex.","Dalton transactions (Cambridge, England : 2003)","2006","","1","203","212","10.1039/b512741f","","","0.7107","MoKα","","0.0433","0.0323","","0.0438","","0.0416","","","","","","1.676","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006667","28.2182","0.0001","8.7227","0.0001","19.8359","0.0001","90","","128.625","0.001","90","","3814.36","0.07","155.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H55 N4 Si4 Ta -","- C30 H50 N4 Si4 Ta -","- C120 H200 N16 Si16 Ta4 -","4","0.5","","Mullins, Sarah M.; Bergman, Robert G.; Arnold, John","Olefination and group transfer reactions of an electron deficient tantalum methylidene complex.","Dalton transactions (Cambridge, England : 2003)","2006","","1","203","212","10.1039/b512741f","","","0.7107","MoKα","","0.0365","0.0288","","0.0406","","0.0378","","","","","","1.198","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006668","28.2627","0.0004","8.7781","0.0002","19.8801","0.0003","90","","129.253","0.001","90","","3819.23","0.13","166.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H53 N4 S Si4 Ta -","- C29 H50 N4 S Si4 Ta -","- C116 H200 N16 S4 Si16 Ta4 -","4","0.5","","Mullins, Sarah M.; Bergman, Robert G.; Arnold, John","Olefination and group transfer reactions of an electron deficient tantalum methylidene complex.","Dalton transactions (Cambridge, England : 2003)","2006","","1","203","212","10.1039/b512741f","","","0.7107","MoKα","","0.04","0.0336","","0.0421","","0.0402","","","","","","1.189","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006669","17.9014","0.0004","11.6015","0.0002","23.0038","0.0005","90","","111.041","0.001","90","","4458.95","0.16","170.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H64 N5 Si4 Ta -","- C39 H64 N5 Si4 Ta -","- C156 H256 N20 Si16 Ta4 -","4","1","","Mullins, Sarah M.; Bergman, Robert G.; Arnold, John","Olefination and group transfer reactions of an electron deficient tantalum methylidene complex.","Dalton transactions (Cambridge, England : 2003)","2006","","1","203","212","10.1039/b512741f","","","0.7107","MoKα","","0.0645","0.0263","","0.043","","0.0316","","","","","","0.838","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006670","11.3762","0.0006","12.7563","0.0007","13.6865","0.0005","97.221","0.003","102.933","0.003","110.078","0.002","1773.07","0.16","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H33 N4 -","- C49 H26 N4 -","- C98 H52 N8 -","2","1","","Schäfer, Bernhard; Görls, Helmar; Presselt, Martin; Schmitt, Michael; Popp, Jürgen; Henry, William; Vos, Johannes G.; Rau, Sven","Derivatives of dipyrido[3,2-a:2',3'-c]phenazine and its ruthenium complexes, influence of arylic substitution on photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2225","2231","10.1039/b512773d","","","0.71073","MoKα","","0.1527","0.0895","","","0.2433","0.2938","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006671","12.7435","0.0003","15.0747","0.0003","16.635","0.0004","91.617","0.001","97.359","0.001","98.611","0.001","3129.95","0.12","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H62 Br2 F12 N10 P2 Ru -","- C58 H62 Br2 F12 N10 P2 Ru -","- C116 H124 Br4 F24 N20 P4 Ru2 -","2","1","","Schäfer, Bernhard; Görls, Helmar; Presselt, Martin; Schmitt, Michael; Popp, Jürgen; Henry, William; Vos, Johannes G.; Rau, Sven","Derivatives of dipyrido[3,2-a:2',3'-c]phenazine and its ruthenium complexes, influence of arylic substitution on photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2225","2231","10.1039/b512773d","","","0.71073","MoKα","","0.0963","0.067","","","0.1695","0.1922","","","","","","1.032","","","","has coordinates,has disorder","179770","2020-10-21","18:00:00",""
"7006672","8.237","0.0016","16.152","0.003","17.347","0.004","90","","90.3","0.03","90","","2307.9","0.8","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H31 Cl2 Co N4 O6.5 Zn -","- C14 H26 Cl2 Co N4 O6.5 Zn -","- C56 H104 Cl8 Co4 N16 O26 Zn4 -","4","2","","Tonei, Deborah M.; Ware, David C.; Brothers, Penelope J.; Plieger, Paul G.; Clark, George R.","Coordination chemistry of 1,4-bis-carboxymethylcyclam, H(2)(1,4-bcc).","Dalton transactions (Cambridge, England : 2003)","2006","","1","152","158","10.1039/b512798j","","","0.71073","MoKα","","0.1164","0.0941","","","0.2207","0.2371","","","","","","1.125","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006673","8.2431","0.0001","9.3178","0.0001","14.9459","0.0001","78.162","0.001","80.574","0.001","73.851","0.001","1072.23","0.02","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C14.25 H29 Cl2 Cu2 N4 O5.25 -","- C14.25 H29 Cl2 Cu2 N4 O5.25 -","- C28.5 H58 Cl4 Cu4 N8 O10.5 -","2","1","","Tonei, Deborah M.; Ware, David C.; Brothers, Penelope J.; Plieger, Paul G.; Clark, George R.","Coordination chemistry of 1,4-bis-carboxymethylcyclam, H(2)(1,4-bcc).","Dalton transactions (Cambridge, England : 2003)","2006","","1","152","158","10.1039/b512798j","","","0.71073","MoKα","","0.0368","0.0299","","","0.0843","0.0889","","","","","","1.038","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006674","10.6771","0.0002","13.7835","0.0002","13.7784","0.0001","90","","101.718","0.001","90","","1985.48","0.05","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 Cl Cu N4 O8 -","- C14 H27 Cl Cu N4 O8 -","- C56 H108 Cl4 Cu4 N16 O32 -","4","1","","Tonei, Deborah M.; Ware, David C.; Brothers, Penelope J.; Plieger, Paul G.; Clark, George R.","Coordination chemistry of 1,4-bis-carboxymethylcyclam, H(2)(1,4-bcc).","Dalton transactions (Cambridge, England : 2003)","2006","","1","152","158","10.1039/b512798j","","","0.71073","MoKα","","0.0502","0.0388","","","0.0932","0.1014","","","","","","1.048","","","","has coordinates,has disorder","179770","2020-10-21","18:00:00",""
"7006675","11.7521","0.0001","11.9632","0.0001","16.8661","0.0001","90","","104.373","0.001","90","","2297.03","0.03","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32.5 Cl1.5 Cr N4 O11 -","- C14 H26.5 Cl1.5 Cr N4 O10 -","- C56 H106 Cl6 Cr4 N16 O40 -","4","1","","Tonei, Deborah M.; Ware, David C.; Brothers, Penelope J.; Plieger, Paul G.; Clark, George R.","Coordination chemistry of 1,4-bis-carboxymethylcyclam, H(2)(1,4-bcc).","Dalton transactions (Cambridge, England : 2003)","2006","","1","152","158","10.1039/b512798j","","","0.71073","MoKα","","0.0639","0.0545","","","0.1538","0.1622","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006676","8.6925","0.0006","16.1096","0.0007","20.145","0.001","90","","102.338","0.005","90","","2755.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Cl2 O4 P4 Pd2 -","- C60 H54 Cl2 O4 P4 Pd2 -","- C120 H108 Cl4 O8 P8 Pd4 -","2","0.5","","Pryjomska, Iweta; Bartosz-Bechowski, Hubert; Ciunik, Zbigniew; Trzeciak, Anna M.; Ziółkowski, Józef J","Chemistry of palladium phosphinite (PPh(2)(OR)) and phosphonite (P(OPh)(2)(OH)) complexes: catalytic activity in methoxycarbonylation and Heck coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2006","","1","213","220","10.1039/b512835h","","","0.71073","MoKα","","0.0278","0.0246","","","0.0559","0.0572","","","","","","1.122","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006677","11.5724","0.0003","5.4816","0.0002","16.7944","0.0004","90","","102.941","0.002","90","","1038.3","0.05","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 Cd O6 -","- C8 H14 Cd O6 -","- C32 H56 Cd4 O24 -","4","0.5","","Thirumurugan, A.; Avinash, M. B.; Rao, C. N. R.","1, 2-, 1, 3- and 1, 4-Cyclohexanedicarboxylates of Cd and Mn with chain and layered structures.","Dalton transactions (Cambridge, England : 2003)","2006","","1","221","228","10.1039/b512843a","","","0.71073","MoKα","","0.037","0.0357","","","0.0901","0.0913","","","","","","1.09","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006678","17.3563","0.0004","11.8464","0.0003","18.3098","0.0005","90","","97.172","0.001","90","","3735.22","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cd N2 O5 -","- C18 H20 Cd N2 O5 -","- C144 H160 Cd8 N16 O40 -","8","1","","Thirumurugan, A.; Avinash, M. B.; Rao, C. N. R.","1, 2-, 1, 3- and 1, 4-Cyclohexanedicarboxylates of Cd and Mn with chain and layered structures.","Dalton transactions (Cambridge, England : 2003)","2006","","1","221","228","10.1039/b512843a","","","0.71073","MoKα","","0.0327","0.03","","","0.0805","0.0827","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006679","8.9419","0.0002","11.9987","0.0003","12.4863","0.0002","102.465","0.001","91.758","0.001","111.771","0.001","1205.7","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Cd3 N4 O16 -","- C48 H46 Cd3 N4 O16 -","- C48 H46 Cd3 N4 O16 -","1","0.5","","Thirumurugan, A.; Avinash, M. B.; Rao, C. N. R.","1, 2-, 1, 3- and 1, 4-Cyclohexanedicarboxylates of Cd and Mn with chain and layered structures.","Dalton transactions (Cambridge, England : 2003)","2006","","1","221","228","10.1039/b512843a","","","0.71073","MoKα","","0.0232","0.021","","","0.0553","0.0561","","","","","","1.017","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006680","8.521","0.0004","21.5643","0.001","26.7853","0.0012","90","","91.007","0.001","90","","4921","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 Mn3 N4 O16 -","- C48 H46 Mn3 N4 O16 -","- C192 H184 Mn12 N16 O64 -","4","0.5","","Thirumurugan, A.; Avinash, M. B.; Rao, C. N. R.","1, 2-, 1, 3- and 1, 4-Cyclohexanedicarboxylates of Cd and Mn with chain and layered structures.","Dalton transactions (Cambridge, England : 2003)","2006","","1","221","228","10.1039/b512843a","","","0.71073","MoKα","","0.0779","0.0577","","","0.1542","0.1694","","","","","","1.083","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006681","13.151","","20.4388","0.0004","8.5602","0.0002","90","","90","","90","","2300.9","0.07","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H16 Cd O7 -","- C8 H14 Cd O7 -","- C64 H112 Cd8 O56 -","8","1","","Thirumurugan, A.; Avinash, M. B.; Rao, C. N. R.","1, 2-, 1, 3- and 1, 4-Cyclohexanedicarboxylates of Cd and Mn with chain and layered structures.","Dalton transactions (Cambridge, England : 2003)","2006","","1","221","228","10.1039/b512843a","","","0.71073","MoKα","","0.0373","0.0309","","","0.067","0.0705","","","","","","1.19","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006682","11.6099","0.0002","17.0455","0.0002","18.5687","0.0002","90","","104.89","","90","","3551.29","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cd2 N4 O8 -","- C40 H36 Cd2 N4 O8 -","- C160 H144 Cd8 N16 O32 -","4","1","","Thirumurugan, A.; Avinash, M. B.; Rao, C. N. R.","1, 2-, 1, 3- and 1, 4-Cyclohexanedicarboxylates of Cd and Mn with chain and layered structures.","Dalton transactions (Cambridge, England : 2003)","2006","","1","221","228","10.1039/b512843a","","","0.71073","MoKα","","0.0556","0.05","","","0.1336","0.1375","","","","","","1.063","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006683","9.8431","0.0005","17.6527","0.0009","11.6066","0.0005","90","","104.09","0.001","90","","1956.06","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Mn2 N4 O10 -","- C40 H40 Mn2 N4 O10 -","- C80 H80 Mn4 N8 O20 -","2","0.5","","Thirumurugan, A.; Avinash, M. B.; Rao, C. N. R.","1, 2-, 1, 3- and 1, 4-Cyclohexanedicarboxylates of Cd and Mn with chain and layered structures.","Dalton transactions (Cambridge, England : 2003)","2006","","1","221","228","10.1039/b512843a","","","0.71073","MoKα","","0.0889","0.0718","","","0.143","0.1504","","","","","","1.168","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006684","27.349","0.007","4.9842","0.0012","12.627","0.003","90","","96.163","0.004","90","","1711.3","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Cd O4 -","- C8 H10 Cd O4 -","- C64 H80 Cd8 O32 -","8","1","","Thirumurugan, A.; Avinash, M. B.; Rao, C. N. R.","1, 2-, 1, 3- and 1, 4-Cyclohexanedicarboxylates of Cd and Mn with chain and layered structures.","Dalton transactions (Cambridge, England : 2003)","2006","","1","221","228","10.1039/b512843a","","","0.71073","MoKα","","0.1004","0.0843","","","0.2058","0.2136","","","","","","1.136","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006685","8.8827","0.0015","11.856","0.002","12.321","0.002","76.791","0.002","87.93","0.003","68.309","0.002","1172.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Mn3 N4 O16 -","- C48 H54 Mn3 N4 O16 -","- C48 H54 Mn3 N4 O16 -","1","0.5","","Thirumurugan, A.; Avinash, M. B.; Rao, C. N. R.","1, 2-, 1, 3- and 1, 4-Cyclohexanedicarboxylates of Cd and Mn with chain and layered structures.","Dalton transactions (Cambridge, England : 2003)","2006","","1","221","228","10.1039/b512843a","","","0.71073","MoKα","","0.0519","0.0384","","","0.0907","0.0954","","","","","","0.993","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006686","6.3636","0.0013","8.1499","0.0016","11.892","0.002","80.21","0.03","83.67","0.03","69.27","0.03","567.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H8 Cl8 N6 O4 P6 -","- C5 H8 Cl8 N6 O4 P6 -","- C5 H8 Cl8 N6 O4 P6 -","1","0.5","","Coles, Simon J.; Davies, David B.; Eaton, Robert J.; Hursthouse, Michael B.; Kiliç, Adem; Shaw, Robert A.; Uslu, Aylin","The structural and stereogenic properties of pentaerythritoxy-bridged cyclotriphosphazene derivatives: spiro-spiro, spiro-ansa and ansa-ansa isomers.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1302","1312","10.1039/b512854d","","","0.71073","MoKα","","0.0683","0.054","","","0.1302","0.138","","","","","","1.057","","","","has coordinates,has disorder","179770","2020-10-21","18:00:00",""
"7006687","11.659","0.002","14.096","0.003","14.038","0.003","90","","90.89","0.03","90","","2306.8","0.8","293","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 Cl8 N6 O4 P6 -","- C5 H8 Cl8 N6 O4 P6 -","- C20 H32 Cl32 N24 O16 P24 -","4","1","","Coles, Simon J.; Davies, David B.; Eaton, Robert J.; Hursthouse, Michael B.; Kiliç, Adem; Shaw, Robert A.; Uslu, Aylin","The structural and stereogenic properties of pentaerythritoxy-bridged cyclotriphosphazene derivatives: spiro-spiro, spiro-ansa and ansa-ansa isomers.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1302","1312","10.1039/b512854d","","","0.71073","MoKα","","0.0482","0.0359","","","0.0936","0.1035","","","","","","0.893","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006688","10.659","0.009","11.329","0.013","17.94","0.04","83.85","0.11","74.77","0.12","67.2","0.13","1927","6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H48 Cl4 N10 O4 P6 -","- C21 H48 Cl4 N10 O4 P6 -","- C42 H96 Cl8 N20 O8 P12 -","2","1","","Coles, Simon J.; Davies, David B.; Eaton, Robert J.; Hursthouse, Michael B.; Kiliç, Adem; Shaw, Robert A.; Uslu, Aylin","The structural and stereogenic properties of pentaerythritoxy-bridged cyclotriphosphazene derivatives: spiro-spiro, spiro-ansa and ansa-ansa isomers.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1302","1312","10.1039/b512854d","","","0.71073","MoKα","","0.1808","0.1325","","","0.3043","0.3299","","","","","","1.154","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006689","6.1615","0.0012","7.8226","0.0016","24.125","0.005","96.23","0.03","95.03","0.03","99.08","0.03","1134.9","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H8 Cl8 N6 O4 P6 -","- C5 H8 Cl8 N6 O4 P6 -","- C10 H16 Cl16 N12 O8 P12 -","2","1","","Coles, Simon J.; Davies, David B.; Eaton, Robert J.; Hursthouse, Michael B.; Kiliç, Adem; Shaw, Robert A.; Uslu, Aylin","The structural and stereogenic properties of pentaerythritoxy-bridged cyclotriphosphazene derivatives: spiro-spiro, spiro-ansa and ansa-ansa isomers.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1302","1312","10.1039/b512854d","","","0.71073","MoKα","","0.0584","0.0388","","","0.0831","0.0907","","","","","","1.016","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006690","14.17","0.003","7.6868","0.0015","34.575","0.007","90","","94.89","0.03","90","","3752.3","1.3","","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Cl4 N6 O4 P6 -","- C29 H28 Cl4 N6 O4 P6 -","- C116 H112 Cl16 N24 O16 P24 -","4","1","","Coles, Simon J.; Davies, David B.; Eaton, Robert J.; Hursthouse, Michael B.; Kiliç, Adem; Shaw, Robert A.; Uslu, Aylin","The structural and stereogenic properties of pentaerythritoxy-bridged cyclotriphosphazene derivatives: spiro-spiro, spiro-ansa and ansa-ansa isomers.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1302","1312","10.1039/b512854d","","x-ray","0.71073","Mokalpha","","","0.0491","","","","0.1019","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006691","10.5294","0.0004","21.3903","0.0008","13.5881","0.0005","90","","104.728","0.002","90","","2959.85","0.19","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cl4 F8 N6 O8 P6 -","- C13 H16 Cl4 F8 N6 O8 P6 -","- C52 H64 Cl16 F32 N24 O32 P24 -","4","1","","Coles, Simon J.; Davies, David B.; Eaton, Robert J.; Hursthouse, Michael B.; Kiliç, Adem; Shaw, Robert A.; Uslu, Aylin","The structural and stereogenic properties of pentaerythritoxy-bridged cyclotriphosphazene derivatives: spiro-spiro, spiro-ansa and ansa-ansa isomers.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1302","1312","10.1039/b512854d","","","0.6751","synchrotron","","0.0447","0.0343","","","0.088","0.093","","","","","","1.033","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006692","14.5088","0.0011","10.1068","0.0006","29.765","0.002","90","","93.639","0.003","90","","4355.9","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H64 Cl Co N2 O2 -","- C48 H64 Cl Co N2 O2 -","- C192 H256 Cl4 Co4 N8 O8 -","4","2","","Cohen, Claire T.; Thomas, Christophe M.; Peretti, Kathryn L.; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of cyclohexene oxide and carbon dioxide using (salen)Co(III) complexes: synthesis and characterization of syndiotactic poly(cyclohexene carbonate).","Dalton transactions (Cambridge, England : 2003)","2006","","1","237","249","10.1039/b513107c","","","0.71073","MoKα","","0.0808","0.0589","","","0.1325","0.1408","","","","","","1.076","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006693","10.969","0.004","12.522","0.005","16.694","0.007","97.299","0.009","105.834","0.009","106.802","0.009","2058.3","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H61 Cl2 Co I N2 O2 -","- C40 H59 Cl2 Co I N2 O2 -","- C80 H118 Cl4 Co2 I2 N4 O4 -","2","1","","Cohen, Claire T.; Thomas, Christophe M.; Peretti, Kathryn L.; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of cyclohexene oxide and carbon dioxide using (salen)Co(III) complexes: synthesis and characterization of syndiotactic poly(cyclohexene carbonate).","Dalton transactions (Cambridge, England : 2003)","2006","","1","237","249","10.1039/b513107c","","","0.71073","MoKα","","0.0995","0.0563","","","0.1322","0.1537","","","","","","0.881","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006694","11.3722","0.0006","12.4435","0.0006","19.3035","0.001","91.624","0.004","96.393","0.004","109.728","0.005","2549","0.2","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C40 H84 O12 Pb Ti2 -","- C40 H84 O12 Pb Ti2 -","- C80 H168 O24 Pb2 Ti4 -","2","1","","Brethon, Anne; Hubert-Pfalzgraf, Liliane G; Daran, Jean-Claude","Interplay between lead carboxylate and Ti or Zr isopropoxides in solution routes to perovskites: synthesis, molecular structures and reactivity of single source non-oxo Pb-Zr and Pb-Ti carboxylatoalkoxides supported by 2-ethylhexanoate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","250","257","10.1039/b513142c","","","0.7093","","","0.0637","0.0554","","","0.1484","0.1586","","","","","","1.059","","","","has coordinates,has disorder","179770","2020-10-21","18:00:00",""
"7006695","21.6632","0.0017","14.2307","0.0014","22.7373","0.0017","90","","116.342","0.008","90","","6281.7","1","180","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H48 O8 Pb Ti1.5 -","- C23 H48 O8 Pb Ti1.5 -","- C184 H384 O64 Pb8 Ti12 -","8","1","","Brethon, Anne; Hubert-Pfalzgraf, Liliane G; Daran, Jean-Claude","Interplay between lead carboxylate and Ti or Zr isopropoxides in solution routes to perovskites: synthesis, molecular structures and reactivity of single source non-oxo Pb-Zr and Pb-Ti carboxylatoalkoxides supported by 2-ethylhexanoate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","250","257","10.1039/b513142c","","","0.71073","MoKα","","0.0553","0.0432","","","0.1156","0.1216","","","","","","1.081","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006696","11.3776","0.001","13.1183","0.0012","26.19","0.003","85.559","0.008","83.667","0.007","76.41","0.008","3771","0.7","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C54 H112 O17 Pb2 Zr2 -","- C54 H112 O17 Pb2 Zr2 -","- C108 H224 O34 Pb4 Zr4 -","2","1","","Brethon, Anne; Hubert-Pfalzgraf, Liliane G; Daran, Jean-Claude","Interplay between lead carboxylate and Ti or Zr isopropoxides in solution routes to perovskites: synthesis, molecular structures and reactivity of single source non-oxo Pb-Zr and Pb-Ti carboxylatoalkoxides supported by 2-ethylhexanoate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","250","257","10.1039/b513142c","","","0.7093","","","0.0568","0.0438","","","0.1165","0.1225","","","","","","1.069","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006697","11.5585","0.0001","10.8561","0.0001","28.5205","0.0003","90","","90.538","0.001","90","","3578.6","0.06","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H58 Ca I Li N2 O4 -","- C32 H58 Ca I Li N2 O4 -","- C128 H232 Ca4 I4 Li4 N8 O16 -","4","1","","Hitchcock, Peter B.; Lappert, Michael F.; Wei, Xue-Hong","Synthesis and structures of some bimetallic (Li/Ca, Li/Zn, Li/Li) diamides derived from 1,2-bis(neopentylamino)benzene and of Li2[{N(SiMe2NPr(i)2)}2C6H4-1,2](thf)3.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1181","1187","10.1039/b513196k","","x-ray","0.71073","MoKα","","0.066","0.0595","","","0.1378","0.1405","","","","","","1.219","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006698","24.2097","0.0003","24.2097","0.0003","24.2097","0.0003","90","","90","","90","","14189.5","0.3","173","2","173","2","","","","","","","synthesis as described","7","P a -3","-P 2ac 2ab 3","205","","","","- C64 H110 Cl Li N6 O4 Zn3 -","- C64.02 H110.04 Cl Li N6 O4 Zn3 -","- C512.16 H880.32 Cl8 Li8 N48 O32 Zn24 -","8","0.333333","","Hitchcock, Peter B.; Lappert, Michael F.; Wei, Xue-Hong","Synthesis and structures of some bimetallic (Li/Ca, Li/Zn, Li/Li) diamides derived from 1,2-bis(neopentylamino)benzene and of Li2[{N(SiMe2NPr(i)2)}2C6H4-1,2](thf)3.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1181","1187","10.1039/b513196k","","x-ray","0.71073","MoKα","","0.0783","0.0585","","","0.1631","0.1798","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006699","11.2835","0.0002","14.1788","0.0003","15.7345","0.0004","90","","90","","90","","2517.31","0.09","173","2","173","2","","","","","","","synthesis as described","6","P n n n :2","-P 2ab 2bc","48","","","","- C48 H84 Li N4 O4 Zn -","- C48 H84 Li N4 O4 Zn -","- C96 H168 Li2 N8 O8 Zn2 -","2","0.25","","Hitchcock, Peter B.; Lappert, Michael F.; Wei, Xue-Hong","Synthesis and structures of some bimetallic (Li/Ca, Li/Zn, Li/Li) diamides derived from 1,2-bis(neopentylamino)benzene and of Li2[{N(SiMe2NPr(i)2)}2C6H4-1,2](thf)3.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1181","1187","10.1039/b513196k","","x-ray","0.71073","MoKα","","0.0523","0.0431","","","0.1204","0.1288","","","","","","0.822","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006700","11.9582","0.0003","14.8108","0.0005","16.8878","0.0005","85.507","0.002","77.579","0.002","68.404","0.001","2715.95","0.14","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[(LH)Zn(L)Zn(L)Li(OEt2)]","","","- C52 H89 Li N6 O Zn2 -","- C52 H89 Li N6 O Zn2 -","- C104 H178 Li2 N12 O2 Zn4 -","2","1","","Hitchcock, Peter B.; Lappert, Michael F.; Wei, Xue-Hong","Synthesis and structures of some bimetallic (Li/Ca, Li/Zn, Li/Li) diamides derived from 1,2-bis(neopentylamino)benzene and of Li2[{N(SiMe2NPr(i)2)}2C6H4-1,2](thf)3.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1181","1187","10.1039/b513196k","","x-ray","0.71073","MoKα","","0.0863","0.0604","","","0.1442","0.1603","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006701","14.133","0.0002","15.8542","0.0002","18.1662","0.0003","90","","96.491","0.001","90","","4044.36","0.1","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H68 Li2 N4 O3 Si2 -","- C34 H68 Li2 N4 O3 Si2 -","- C136 H272 Li8 N16 O12 Si8 -","4","1","","Hitchcock, Peter B.; Lappert, Michael F.; Wei, Xue-Hong","Synthesis and structures of some bimetallic (Li/Ca, Li/Zn, Li/Li) diamides derived from 1,2-bis(neopentylamino)benzene and of Li2[{N(SiMe2NPr(i)2)}2C6H4-1,2](thf)3.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1181","1187","10.1039/b513196k","","x-ray","0.71073","MoKα","","0.064","0.0558","","","0.1489","0.1596","","","","","","0.995","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006702","12.245","0.002","16.869","0.003","19.161","0.004","90","","104.79","0.03","90","","3826.8","1.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BzLH","","","- C42 H54 N4 O3 -","- C42 H54 N4 O3 -","- C168 H216 N16 O12 -","4","1","","Benisvy, Laurent; Bill, Eckhard; Blake, Alexander J.; Collison, David; Davies, E. Stephen; Garner, C. David; McArdle, Graeme; McInnes, Eric J. L.; McMaster, Jonathan; Ross, Stephanie H. K.; Wilson, Claire","Phenoxyl radicals: H-bonded and coordinated to Cu(II) and Zn(II).","Dalton transactions (Cambridge, England : 2003)","2006","","1","258","267","10.1039/b513221p","","","0.71073","MoKα","","0.1104","0.0407","","","0.0869","0.117","","","","","","0.848","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006703","13.954","0.008","14.412","0.009","14.086","0.012","90","","102.38","0.07","90","","2767","3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","PhOMeLH","","","- C31 H36 N2 O3 -","- C31 H36 N2 O3 -","- C124 H144 N8 O12 -","4","1","","Benisvy, Laurent; Bill, Eckhard; Blake, Alexander J.; Collison, David; Davies, E. Stephen; Garner, C. David; McArdle, Graeme; McInnes, Eric J. L.; McMaster, Jonathan; Ross, Stephanie H. K.; Wilson, Claire","Phenoxyl radicals: H-bonded and coordinated to Cu(II) and Zn(II).","Dalton transactions (Cambridge, England : 2003)","2006","","1","258","267","10.1039/b513221p","","","0.71073","MoKα","","0.2163","0.1221","","","0.2171","0.2999","","","","","","1.184","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006704","10.0084","0.0003","13.0262","0.0004","20.3503","0.0008","94.968","0.002","93.835","0.002","112.255","0.003","2431.9","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(Cu(BzL)2).4CH3CN","","","- C50 H62 Cu N8 O2 -","- C50 H62 Cu N8 O2 -","- C100 H124 Cu2 N16 O4 -","2","1","","Benisvy, Laurent; Bill, Eckhard; Blake, Alexander J.; Collison, David; Davies, E. Stephen; Garner, C. David; McArdle, Graeme; McInnes, Eric J. L.; McMaster, Jonathan; Ross, Stephanie H. K.; Wilson, Claire","Phenoxyl radicals: H-bonded and coordinated to Cu(II) and Zn(II).","Dalton transactions (Cambridge, England : 2003)","2006","","1","258","267","10.1039/b513221p","","","0.71073","MoKα","","0.124","0.0636","","","0.148","0.176","","","","","","1.015","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006705","12.9669","0.0008","13.2272","0.0008","18.4793","0.0011","102.802","0.003","98.699","0.003","108.413","0.003","2847.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(Cu(PhOMeL2)).2MeOH","","","- C64 H78 Cu N4 O8 -","- C64 H77 Cu N4 O8 -","- C128 H154 Cu2 N8 O16 -","2","1","","Benisvy, Laurent; Bill, Eckhard; Blake, Alexander J.; Collison, David; Davies, E. Stephen; Garner, C. David; McArdle, Graeme; McInnes, Eric J. L.; McMaster, Jonathan; Ross, Stephanie H. K.; Wilson, Claire","Phenoxyl radicals: H-bonded and coordinated to Cu(II) and Zn(II).","Dalton transactions (Cambridge, England : 2003)","2006","","1","258","267","10.1039/b513221p","","","0.71073","MoKα","","0.189","0.0677","","","0.127","0.173","","","","","","0.946","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006706","26.595","0.004","8.12","0.0011","20.435","0.003","90","","103.777","0.002","90","","4286","1.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Zn(L(BzL)2).2CH3CN","","","- C46 H56 N6 O2 Zn -","- C46 H56 N6 O2 Zn -","- C184 H224 N24 O8 Zn4 -","4","0.5","","Benisvy, Laurent; Bill, Eckhard; Blake, Alexander J.; Collison, David; Davies, E. Stephen; Garner, C. David; McArdle, Graeme; McInnes, Eric J. L.; McMaster, Jonathan; Ross, Stephanie H. K.; Wilson, Claire","Phenoxyl radicals: H-bonded and coordinated to Cu(II) and Zn(II).","Dalton transactions (Cambridge, England : 2003)","2006","","1","258","267","10.1039/b513221p","","","0.71073","MoKα","","0.0644","0.0374","","","0.0773","0.0845","","","","","","0.967","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006707","11.273","0.001","12.359","0.002","22.334","0.003","89.689","0.002","85.56","0.002","79.024","0.002","3045.4","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(Zn(PhOMeL)2).2CH3CN","","","- C66 H76 N6 O6 Zn -","- C66 H76 N6 O6 Zn -","- C132 H152 N12 O12 Zn2 -","2","1","","Benisvy, Laurent; Bill, Eckhard; Blake, Alexander J.; Collison, David; Davies, E. Stephen; Garner, C. David; McArdle, Graeme; McInnes, Eric J. L.; McMaster, Jonathan; Ross, Stephanie H. K.; Wilson, Claire","Phenoxyl radicals: H-bonded and coordinated to Cu(II) and Zn(II).","Dalton transactions (Cambridge, England : 2003)","2006","","1","258","267","10.1039/b513221p","","","0.71073","MoKα","","0.0614","0.0438","","","0.1192","0.1268","","","","","","1.044","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006708","12.981","0.005","12.981","0.005","36.183","0.005","90","","90","","90","","6097","3","173","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H34 Cl2 N8 S3 Ti2 -","- C20.5 H34 Cl2 N8 S3 Ti2 -","- C164 H272 Cl16 N64 S24 Ti16 -","8","1","","Hill, Anthony F.; Smith, Matthew K.","Dihydrobis(methimazolyl)borate and methimazolyl complexes of titanium.","Dalton transactions (Cambridge, England : 2003)","2006","","1","28","30","10.1039/b513251g","","","0.71069","MoKα","","0.0407","0.0315","","","0.0772","0.0828","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006709","16.54","0.003","9.29","0.0019","18.924","0.004","90","","94.27","0.03","90","","2899.7","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B2 N9 S4 Ti -","- C20 H33 B2 N9 S4 Ti -","- C80 H132 B8 N36 S16 Ti4 -","4","1","","Hill, Anthony F.; Smith, Matthew K.","Dihydrobis(methimazolyl)borate and methimazolyl complexes of titanium.","Dalton transactions (Cambridge, England : 2003)","2006","","1","28","30","10.1039/b513251g","","","0.71073","MoKα","","0.1694","0.1069","","","0.2475","0.2779","","","","","","1.005","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006710","13.73","0.003","7.9","0.0016","12.78","0.003","90","","103.24","0.03","90","","1349.4","0.5","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H15 N2 S Ti -","- C14 H15 N2 S Ti -","- C56 H60 N8 S4 Ti4 -","4","1","","Hill, Anthony F.; Smith, Matthew K.","Dihydrobis(methimazolyl)borate and methimazolyl complexes of titanium.","Dalton transactions (Cambridge, England : 2003)","2006","","1","28","30","10.1039/b513251g","","","0.71073","MoKα","","0.0711","0.0459","","","0.1144","0.1294","","","","","","1.03","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006711","11.3654","0.0003","20.6178","0.0006","12.9278","0.0004","90","","102.901","0.001","90","","2952.9","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Cl2 Mn N10 O8 -","- C21 H30 Cl2 Mn N10 O8 -","- C84 H120 Cl8 Mn4 N40 O32 -","4","1","","Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Cuenca, Luciann; Noll, Bruce C.; Scheidt, W. Robert; Viragh, Carol; Zavalij, Peter Y.; Zielaski, Daniel","Synthesis and characterization of manganese(II) and iron(III) d5 tripodal imidazole complexes. Effect of oxidation state, protonation state and ligand conformation on coordination number and spin state.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1009","1019","10.1039/b513282g","","","0.71073","MoKα","","0.0457","0.0352","","","0.0742","0.0785","","","","","","1","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006712","16.6695","0.0004","15.4756","0.0004","12.9951","0.0003","90","","104.119","0.001","90","","3251.08","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 Cl2 Mn N10 O10 -","- C23 H38 Cl2 Mn N10 O10 -","- C92 H152 Cl8 Mn4 N40 O40 -","4","1","","Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Cuenca, Luciann; Noll, Bruce C.; Scheidt, W. Robert; Viragh, Carol; Zavalij, Peter Y.; Zielaski, Daniel","Synthesis and characterization of manganese(II) and iron(III) d5 tripodal imidazole complexes. Effect of oxidation state, protonation state and ligand conformation on coordination number and spin state.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1009","1019","10.1039/b513282g","","","0.71073","MoKα","","0.0433","0.0371","","","0.0761","0.0786","","","","","","1","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006713","16.5805","0.0008","16.5805","0.0008","22.0774","0.0015","90","","90","","120","","5256.2","0.5","100","2","100","2","","","","","","","synthesized","6","R 3 :H","R 3","146","","","","- C24 H39 Cl3 Fe N10 O13.5 -","- C24 H39 Cl3 Fe N10 O13.5 -","- C144 H234 Cl18 Fe6 N60 O81 -","6","0.666667","","Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Cuenca, Luciann; Noll, Bruce C.; Scheidt, W. Robert; Viragh, Carol; Zavalij, Peter Y.; Zielaski, Daniel","Synthesis and characterization of manganese(II) and iron(III) d5 tripodal imidazole complexes. Effect of oxidation state, protonation state and ligand conformation on coordination number and spin state.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1009","1019","10.1039/b513282g","","x-ray","0.71073","MoKα","","0.0367","0.0367","","","0.0962","0.0962","","","","","","1.071","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7006714","29.6863","0.0003","29.6863","0.0003","29.6863","0.0003","90","","90","","90","","26161.8","0.5","233","2","233","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","Fe(3+) . NL3(3-)H(1+) . I3(1-)1-x . I(1-)x . nH2O x=0.475, n=2.625","Fe(3+) . NL3(3-)H(1+) . I3(1-)1-x . I(1-)x . nH2O x=0.475, n=2.625","","- C21 H33.25 Fe I2.05 N10 O2.625 -","- C21 H33.24 Fe I2.04995 N10 O2.625 -","- C672 H1063.68 Fe32 I65.5984 N320 O84 -","32","0.333333","","Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Cuenca, Luciann; Noll, Bruce C.; Scheidt, W. Robert; Viragh, Carol; Zavalij, Peter Y.; Zielaski, Daniel","Synthesis and characterization of manganese(II) and iron(III) d5 tripodal imidazole complexes. Effect of oxidation state, protonation state and ligand conformation on coordination number and spin state.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1009","1019","10.1039/b513282g","","","0.71073","MoKα","","0.0678","0.0494","","","0.1283","0.1512","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006715","11.8154","0.0005","12.2056","0.0006","12.3982","0.0006","78.863","0.001","70.789","0.001","67.4","0.001","1554.2","0.13","233","2","233","2","","","","","","","","6","P -1","-P 1","2","Mn-complex perchlorate","Mn-complex perchlorate","","- C24 H36 Cl2 Mn N10 O8 -","- C24 H36 Cl2 Mn N10 O8 -","- C48 H72 Cl4 Mn2 N20 O16 -","2","1","","Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Cuenca, Luciann; Noll, Bruce C.; Scheidt, W. Robert; Viragh, Carol; Zavalij, Peter Y.; Zielaski, Daniel","Synthesis and characterization of manganese(II) and iron(III) d5 tripodal imidazole complexes. Effect of oxidation state, protonation state and ligand conformation on coordination number and spin state.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1009","1019","10.1039/b513282g","","","0.71073","MoKα","","0.0411","0.0369","","","0.0809","0.0836","","","","","","1","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006716","6.4971","0.0003","17.1739","0.0009","19.2924","0.001","90","","90.845","0.001","90","","2152.42","0.19","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 Ag2 F6 N2 O6 S8 -","- C34 H50 Ag2 F6 N2 O6 S8 -","- C68 H100 Ag4 F12 N4 O12 S16 -","2","0.5","","Habata, Yoichi; Seo, Joobeom; Otawa, Satoshi; Osaka, Futoshi; Noto, Kanae; Sung Lee, Shim","Synthesis of diazahexathia-24-crown-8 derivatives and structures of Ag+ complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2202","2206","10.1039/b513293b","","","0.71073","MoKα","","0.0402","0.0274","","","0.0615","0.0667","","","","","","1.025","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006717","8.4064","0.0005","10.4171","0.0006","13.991","0.0008","70.325","0.001","81.888","0.001","79.243","0.001","1129.33","0.11","90","","90","","","","","","","","","8","P -1","-P 1","2","","","","- C32 H42 Ag2 Cl4 F6 N2 O6 S8 -","- C32 H42 Ag2 Cl4 F6 N2 O6 S8 -","- C32 H42 Ag2 Cl4 F6 N2 O6 S8 -","1","0.5","","Habata, Yoichi; Seo, Joobeom; Otawa, Satoshi; Osaka, Futoshi; Noto, Kanae; Sung Lee, Shim","Synthesis of diazahexathia-24-crown-8 derivatives and structures of Ag+ complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2202","2206","10.1039/b513293b","","","0.71073","MoKα","","0.0231","0.0216","","","0.0574","0.0581","","","","","","1.06","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006718","21.1574","0.0013","8.5512","0.0006","9.2467","0.0006","90","","98.991","0.001","90","","1652.37","0.19","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H25 N O2 S3 -","- C13 H25 N O2 S3 -","- C52 H100 N4 O8 S12 -","4","1","","Habata, Yoichi; Seo, Joobeom; Otawa, Satoshi; Osaka, Futoshi; Noto, Kanae; Sung Lee, Shim","Synthesis of diazahexathia-24-crown-8 derivatives and structures of Ag+ complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2202","2206","10.1039/b513293b","","","0.71073","MoKα","","0.0458","0.0369","","","0.0937","0.1053","","","","","","1.085","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006719","10.4636","0.0001","28.2835","0.0003","15.5722","0.0002","90","","100.253","0.005","90","","4534.96","0.11","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H48 Mn2 N2 O6 -","- C55 H48 Mn2 N2 O6 -","- C220 H192 Mn8 N8 O24 -","4","1","","Djukic, Jean-Pierre; Michon, Christophe; Ratkovic, Zoran; Kyritsakas-Gruber, Nathalie; de Cian, André; Pfeffer, Michel","New manganese-scaffolded organic triple-deckers based on quinoxaline, pyrazine and pyrimidine cores.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1564","1573","10.1039/b513322j","","","0.71073","Mo-Kα","","0.102","0.04","","0.243","","0.058","","","1.364","","","1.052","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006720","18.8855","0.0003","13.7903","0.0004","15.9732","0.0005","90","","101.257","0.005","90","","4080","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 Cl2 Mn2 N2 O6 -","- C45 H40 Cl2 Mn2 N2 O6 -","- C180 H160 Cl8 Mn8 N8 O24 -","4","1","","Djukic, Jean-Pierre; Michon, Christophe; Ratkovic, Zoran; Kyritsakas-Gruber, Nathalie; de Cian, André; Pfeffer, Michel","New manganese-scaffolded organic triple-deckers based on quinoxaline, pyrazine and pyrimidine cores.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1564","1573","10.1039/b513322j","","","0.71073","Mo-Kα","","0.112","0.087","","0.198","","0.099","","","1.898","","","1.59","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006721","16.7067","0.0003","11.9869","0.0002","16.2192","0.0003","90","","112.429","0.005","90","","3002.37","0.14","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Mn2 N2 O7 -","- C34 H24 Mn2 N2 O7 -","- C136 H96 Mn8 N8 O28 -","4","1","","Djukic, Jean-Pierre; Michon, Christophe; Ratkovic, Zoran; Kyritsakas-Gruber, Nathalie; de Cian, André; Pfeffer, Michel","New manganese-scaffolded organic triple-deckers based on quinoxaline, pyrazine and pyrimidine cores.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1564","1573","10.1039/b513322j","","","0.71073","Mo-Kα","","0.099","0.033","","0.178","","0.041","","","1.35","","","1.034","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006722","12.5455","0.0003","16.0358","0.0004","17.4291","0.0005","90","","95.923","0.005","90","","3487.62","0.16","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H39 Mn N2 O3 -","- C41 H39 Mn N2 O3 -","- C164 H156 Mn4 N8 O12 -","4","1","","Djukic, Jean-Pierre; Michon, Christophe; Ratkovic, Zoran; Kyritsakas-Gruber, Nathalie; de Cian, André; Pfeffer, Michel","New manganese-scaffolded organic triple-deckers based on quinoxaline, pyrazine and pyrimidine cores.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1564","1573","10.1039/b513322j","","","0.71073","Mo-Kα","","0.083","0.043","","0.17","","0.064","","","1.355","","","1.149","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006723","9.5308","0.0002","12.9309","0.0003","15.1767","0.0006","70.543","0.005","80.913","0.005","69.573","0.005","1650.85","0.11","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H34 Mn2 N2 O6 -","- C38 H34 Mn2 N2 O6 -","- C76 H68 Mn4 N4 O12 -","2","1","","Djukic, Jean-Pierre; Michon, Christophe; Ratkovic, Zoran; Kyritsakas-Gruber, Nathalie; de Cian, André; Pfeffer, Michel","New manganese-scaffolded organic triple-deckers based on quinoxaline, pyrazine and pyrimidine cores.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1564","1573","10.1039/b513322j","","","0.71073","Mo-Kα","","0.082","0.038","","0.108","","0.055","","","1.08","","","1.011","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006724","12.0775","0.0002","11.8548","0.0002","26.023","0.0005","90","","97.232","0.005","90","","3696.24","0.12","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H76 Cl2 Mn2 N8 O7 -","- C72 H70 Cl2 Mn2 N8 O7 -","- C144 H140 Cl4 Mn4 N16 O14 -","2","0.5","","Djukic, Jean-Pierre; Michon, Christophe; Ratkovic, Zoran; Kyritsakas-Gruber, Nathalie; de Cian, André; Pfeffer, Michel","New manganese-scaffolded organic triple-deckers based on quinoxaline, pyrazine and pyrimidine cores.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1564","1573","10.1039/b513322j","","","0.71073","Mo-Kα","","0.116","0.061","","0.234","","0.087","","","1.586","","","1.09","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006725","18.605","0.0003","14.531","0.0003","17.515","0.0003","90","","101.174","0.001","90","","4645.4","0.15","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 Cl8 N2 O4 Ti -","- C42 H54 Cl8 N2 O4 Ti -","- C168 H216 Cl32 N8 O16 Ti4 -","4","0.5","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Group 4 complexes of amine bis(phenolate)s and their application for the ring opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2006","","7","887","889","10.1039/b513345a","","","0.71073","MoKα","","0.0719","0.0656","","","0.1846","0.1893","","","","","","1.123","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006726","18.802","0.0002","14.454","0.0002","17.745","0.0002","90","","100.982","0.001","90","","4734.14","0.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 Cl8 N2 O4 Zr -","- C42 H54 Cl8 N2 O4 Zr -","- C168 H216 Cl32 N8 O16 Zr4 -","4","0.5","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Group 4 complexes of amine bis(phenolate)s and their application for the ring opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2006","","7","887","889","10.1039/b513345a","","","0.71073","MoKα","","0.0373","0.0349","","","0.0921","0.0936","","","","","","1.094","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006727","12.636","0.0001","12.726","0.0001","14.746","0.0001","97.35","0.001","96.44","0.001","118.25","0.001","2030.76","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H106 Hf2 N4 O8 -","- C89 H106 Hf2 N4 O8 -","- C89 H106 Hf2 N4 O8 -","1","0.5","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Group 4 complexes of amine bis(phenolate)s and their application for the ring opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2006","","7","887","889","10.1039/b513345a","","","0.71073","MoKα","","0.0366","0.0305","","","0.0687","0.0714","","","","","","1.057","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006728","11.863","0.0004","15.117","0.0005","20.979","0.0008","91.993","0.002","103.472","0.002","103.426","0.002","3543","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H110 N2 O4 Zr -","- C76 H110 N2 O4 Zr -","- C152 H220 N4 O8 Zr2 -","2","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Group 4 complexes of amine bis(phenolate)s and their application for the ring opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2006","","7","887","889","10.1039/b513345a","","","0.71073","MoKα","","0.0787","0.0562","","","0.1447","0.1715","","","","","","1.085","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006729","9.339","0.0001","9.639","0.0001","27.31","0.0003","86.766","0.001","81.457","0.001","68.452","0.001","2261.22","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H72 N O4 Ti -","- C46 H72 N O4 Ti -","- C92 H144 N2 O8 Ti2 -","2","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Group 4 complexes of amine bis(phenolate)s and their application for the ring opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2006","","7","887","889","10.1039/b513345a","","","0.71073","MoKα","","0.055","0.047","","","0.1218","0.1271","","","","","","1.056","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006730","11.167","0.0002","22.196","0.0003","18.08","0.0004","90","","98.718","0.001","90","","4429.58","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H67 N O4 Ti -","- C47 H67 N O4 Ti -","- C188 H268 N4 O16 Ti4 -","4","1","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.","Group 4 complexes of amine bis(phenolate)s and their application for the ring opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2006","","7","887","889","10.1039/b513345a","","","0.71073","MoKα","","0.0949","0.0565","","","0.105","0.1176","","","","","","1.027","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006731","11.032","0.004","11.686","0.004","15.342","0.005","83.44","0.02","87.94","0.02","87.97","0.02","1962.7","1.2","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Br2 O6 P2 Pt -","- C40 H42 Br2 O6 P2 Pt -","- C80 H84 Br4 O12 P4 Pt2 -","2","1","","Lucas, Nigel T.; McDonagh, Andrew M.; Dance, Ian G.; Colbran, Stephen B.; Craig, Donald C.","cis-[PtBr2{PPh2(4-catechol)}2]: synthesis, crystal structure, and computational modelling of its binding to nanocrystalline TiO2.","Dalton transactions (Cambridge, England : 2003)","2006","","5","680","685","10.1039/b513354h","","","0.71073","MoKα","","","0.035","","","","0.043","","","","","","1.32","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006732","15.9991","0.0009","11.0506","0.0006","25.1676","0.0013","90","","97.203","0.001","90","","4414.5","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Salpren)Sc(NiPr2) n-hexane solvate","[N,N'-bis(3,5-di-tert.-butylsalicylidene)-2,2-dimethyl propylendiamino][diisopropylamido]scandium(III) (Salpren)Sc(NiPr2) n-hexane solvate","","- C44 H73 N3 O2 Sc -","- C44 H73 N3 O2 Sc -","- C176 H292 N12 O8 Sc4 -","4","1","","Meermann, Christian; Sirsch, Peter; Törnroos, Karl W; Anwander, Reiner","Synthesis and structural characterization of scandium SALEN complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1041","1050","10.1039/b513370j","","","0.71073","MoKα","","0.1","0.06","","","0.128","0.1437","","","","","","1.066","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006733","14.5528","0.0001","12.6006","0.0001","26.9905","0.0002","90","","103.727","0.0003","90","","4808","0.06","173","","173","","","","","","","","see text","6","P 1 21 1","P 2yb","4","(R,R)-(Salcyc)Sc[N(SiHMe2)2]","[N,N'-bis(3,5-di-tert.-butylsalicylidene)-trans-1,2-cyclohexylendiamino] [bis(dimethylsilyl)amido] scandium(III) (Salcyc)Sc[N(SiHMe2)2]","","- C40 H66 N3 O2 Sc Si2 -","- C40 H66 N3 O2 Sc Si2 -","- C160 H264 N12 O8 Sc4 Si8 -","4","2","","Meermann, Christian; Sirsch, Peter; Törnroos, Karl W; Anwander, Reiner","Synthesis and structural characterization of scandium SALEN complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1041","1050","10.1039/b513370j","","x-ray","0.71073","MoKα","","0.0733","0.0584","","","0.1559","0.1647","","","","","","1.056","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006734","12.056","0.0002","14.0187","0.0002","16.0392","0.0003","66.9842","0.0006","75.4467","0.0006","67.8923","0.0006","2294.25","0.07","123","","123","","","","","","","","see text","6","P -1","-P 1","2","(Salen)Sc(OSitBuPh2)","[N,N'-bis(3,5-di-tert.-butylsalicylidene)ethylene diamino](diphenyl-tert. -butylsiloxy)scandium(III) (Salen)Sc(OSitBuPh2)","","- C48 H65 N2 O3 Sc Si -","- C48 H65 N2 O3 Sc Si -","- C96 H130 N4 O6 Sc2 Si2 -","2","1","","Meermann, Christian; Sirsch, Peter; Törnroos, Karl W; Anwander, Reiner","Synthesis and structural characterization of scandium SALEN complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1041","1050","10.1039/b513370j","","","0.71073","MoKα","","0.1111","0.0594","","","0.1031","0.1176","","","","","","1.028","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006735","9.459","0.0001","12.111","0.0001","25.699","0.0002","90","","100.027","0.0003","90","","2899.06","0.05","150","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 F3 N O5 P Pd S2 -","- C28 H25 F3 N O5 P Pd S2 -","- C112 H100 F12 N4 O20 P4 Pd4 S8 -","4","1","","Chapman, Christopher J.; Frost, Christopher G.; Mahon, Mary F.","Structure and reactivity of new phosphine ligands containing the hemi-labile sulfone moiety.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2251","2262","10.1039/b513390d","","","0.71073","MoKα","","0.031","0.0256","","","0.0769","0.0857","","","","","","0.577","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006736","13.795","0.0001","14.205","0.0001","15.434","0.0002","90","","104.108","0.001","90","","2933.19","0.05","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 F6 N O3 P Pd S Sb -","- C27 H27 F6 N O3 P Pd S Sb -","- C108 H108 F24 N4 O12 P4 Pd4 S4 Sb4 -","4","1","","Chapman, Christopher J.; Frost, Christopher G.; Mahon, Mary F.","Structure and reactivity of new phosphine ligands containing the hemi-labile sulfone moiety.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2251","2262","10.1039/b513390d","","","0.71073","MoKα","","0.0359","0.0252","","","0.058","0.0617","","","","","","1.025","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006737","10.62","0.0001","15.327","0.0001","15.398","0.0001","108.523","0.001","100.29","0.001","108.962","0.001","2133.66","0.04","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C41.25 H50 Cl3 N2 O2 P Pd S -","- C41.3 H50 Cl3 N2 O2 P Pd S -","- C82.6 H100 Cl6 N4 O4 P2 Pd2 S2 -","2","1","","Chapman, Christopher J.; Frost, Christopher G.; Mahon, Mary F.","Structure and reactivity of new phosphine ligands containing the hemi-labile sulfone moiety.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2251","2262","10.1039/b513390d","","","0.71073","MoKα","","0.0381","0.031","","","0.0837","0.0872","","","","","","1.035","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006738","18.492","0.0002","12.263","0.001","18.586","0.0002","90","","102.396","0.001","90","","4116.4","0.3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 F6 N2 O2 P Pd S Sb -","- C39 H48 F6 N2 O2 P Pd S Sb -","- C156 H192 F24 N8 O8 P4 Pd4 S4 Sb4 -","4","1","","Chapman, Christopher J.; Frost, Christopher G.; Mahon, Mary F.","Structure and reactivity of new phosphine ligands containing the hemi-labile sulfone moiety.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2251","2262","10.1039/b513390d","","","0.71073","MoKα","","0.0305","0.0244","","","0.0609","0.0646","","","","","","1.055","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006739","16.619","0.0004","19.801","0.0005","25.455","0.0006","81.869","0.002","81.715","0.002","79.174","0.002","8085","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C180 H156 Fe8 O20 Yb4 -","- C180 H150 Fe8 O20 Yb4 -","- C360 H300 Fe16 O40 Yb8 -","2","1","","Baskar, Viswanathan; Roesky, Peter W.","Lanthanide hydroxide cubane clusters anchoring ferrocenes: model compounds for fixation of organometallic fragments on a lanthanide oxide surface.","Dalton transactions (Cambridge, England : 2003)","2006","","5","676","679","10.1039/b513469b","","","0.71073","MoKα","","0.1208","0.0829","","","0.2231","0.2546","","","","","","1.047","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006740","16.5631","0.0006","19.8519","0.0006","25.6123","0.0009","81.718","0.003","81.397","0.003","79.664","0.003","8132","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C194 H172 Fe8 Lu4 O20 -","- C194 H166 Fe8 Lu4 O20 -","- C388 H332 Fe16 Lu8 O40 -","2","1","","Baskar, Viswanathan; Roesky, Peter W.","Lanthanide hydroxide cubane clusters anchoring ferrocenes: model compounds for fixation of organometallic fragments on a lanthanide oxide surface.","Dalton transactions (Cambridge, England : 2003)","2006","","5","676","679","10.1039/b513469b","","","0.71073","MoKα","","0.0791","0.0559","","","0.1443","0.1546","","","","","","0.974","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006741","8.7004","0.0002","9.6692","0.0001","24.4085","0.0006","89.477","0.001","88.641","0.001","68.79","0.001","1913.75","0.07","173","2","173","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C40 H64 N4 -","- C40 H64 N4 -","- C80 H128 N8 -","2","1","","Hill, Michael S.; Hitchcock, Peter B.; Mansell, Stephen M.","Racemic N-aryl bis(amidines) and bis(amidinates): on the trail of enantioselective organolanthanide catalysts.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1544","1553","10.1039/b513521d","","x-ray","0.71073","MoKα","","0.0614","0.0499","","","0.12","0.1282","","","","","","1.011","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006742","16.8665","0.0005","13.1292","0.0005","17.0086","0.0006","90","","117.644","0.002","90","","3336.5","0.2","173","2","173","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 N4 -","- C34 H52 N4 -","- C136 H208 N16 -","4","1","","Hill, Michael S.; Hitchcock, Peter B.; Mansell, Stephen M.","Racemic N-aryl bis(amidines) and bis(amidinates): on the trail of enantioselective organolanthanide catalysts.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1544","1553","10.1039/b513521d","","x-ray","0.71073","MoKα","","0.1115","0.0675","","","0.1637","0.1922","","","","","","1.023","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006743","18.1733","0.0007","31.7551","0.0006","14.7468","0.0005","90","","90","","90","","8510.3","0.5","173","2","173","2","","","","","","","synthesis as described","5","I 2 c b","I -2a 2","45","","","","- C45.5 H70 Li2 N4 O2 -","- C45.5 H66 Li2 N4 O2 -","- C364 H528 Li16 N32 O16 -","8","1","","Hill, Michael S.; Hitchcock, Peter B.; Mansell, Stephen M.","Racemic N-aryl bis(amidines) and bis(amidinates): on the trail of enantioselective organolanthanide catalysts.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1544","1553","10.1039/b513521d","","x-ray","0.71073","MoKα","","0.0894","0.0804","","","0.2305","0.2403","","","","","","1.048","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006744","16.0481","0.0007","15.7871","0.0006","18.7167","0.0007","90","","104.274","0.002","90","","4595.5","0.3","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H70 Li2 N4 O2 -","- C47 H70 Li2 N4 O2 -","- C188 H280 Li8 N16 O8 -","4","1","","Hill, Michael S.; Hitchcock, Peter B.; Mansell, Stephen M.","Racemic N-aryl bis(amidines) and bis(amidinates): on the trail of enantioselective organolanthanide catalysts.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1544","1553","10.1039/b513521d","","x-ray","0.71073","MoKα","","0.1653","0.1015","","","0.2397","0.2859","","","","","","0.999","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006745","17.8471","0.0009","11.3986","0.0006","17.6595","0.001","90","","93.964","0.003","90","","3583.9","0.3","173","2","173","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 Li2 N4 O2 -","- C36 H54 Li2 N4 O2 -","- C144 H216 Li8 N16 O8 -","4","0.5","","Hill, Michael S.; Hitchcock, Peter B.; Mansell, Stephen M.","Racemic N-aryl bis(amidines) and bis(amidinates): on the trail of enantioselective organolanthanide catalysts.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1544","1553","10.1039/b513521d","","x-ray","0.7107","MoKα","","0.0976","0.0603","","","0.1432","0.166","","","","","","1.016","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006746","12.553","0.007","16.399","0.009","19.071","0.011","90","","104.309","0.011","90","","3804","4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H57 N3 -","- C40 H57 N3 -","- C160 H228 N12 -","4","1","","Masuda, Jason D.; Stephan, Douglas W.","Neutral and cationic aluminium complexes of a sterically demanding N-imidoylamidine ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2089","2097","10.1039/b513531a","","","0.71073","MoKα","","0.1144","0.0472","","","0.1085","0.1203","","","","","","0.769","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006747","14.196","0.007","35.926","0.017","10.613","0.005","90","","90","","90","","5413","4","293","2","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42 H61 Al2 I6 N3 O0.5 -","- C42 H61 Al2 I6 N3 O0.5 -","- C168 H244 Al8 I24 N12 O2 -","4","1","","Masuda, Jason D.; Stephan, Douglas W.","Neutral and cationic aluminium complexes of a sterically demanding N-imidoylamidine ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2089","2097","10.1039/b513531a","","","0.71073","MoKα","","0.1258","0.098","","","0.2286","0.2556","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006748","10.503","0.006","21.773","0.013","18.101","0.01","90","","105.68","0.01","90","","3985","4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 Al N3 -","- C42 H62 Al N3 -","- C168 H248 Al4 N12 -","4","1","","Masuda, Jason D.; Stephan, Douglas W.","Neutral and cationic aluminium complexes of a sterically demanding N-imidoylamidine ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2089","2097","10.1039/b513531a","","","0.71073","MoKα","","0.0828","0.0388","","","0.0824","0.0883","","","","","","0.803","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006749","16.0619","0.0019","18.95","0.002","20.586","0.002","90","","90","","90","","6265.8","1.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H57 Al B F20 N3 -","- C64 H57 Al B F20 N3 -","- C256 H228 Al4 B4 F80 N12 -","4","1","","Masuda, Jason D.; Stephan, Douglas W.","Neutral and cationic aluminium complexes of a sterically demanding N-imidoylamidine ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2089","2097","10.1039/b513531a","","","0.71073","MoKα","","0.0842","0.0569","","","0.1372","0.1553","","","","","","1.065","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006750","12.058","0.005","19.73","0.01","17.872","0.009","90","","106.07","0.04","90","","4086","3","85","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H96 N28 Ni3 O12 -","- C68 H96 N28 Ni3 O12 -","- C136 H192 N56 Ni6 O24 -","2","0.5","","Yamada, Susumu; Yasui, Masanori; Nogami, Takashi; Ishida, Takayuki","Self-assembled meso-helicates of linear trinuclear nickel(II)-radical complexes with triple pyrazolate bridges.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1622","1626","10.1039/b513618k","","","0.7107","MoKα","","","0.069","","","","0.119","","","","","","1.47","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006751","13.351","0.009","21.28","0.01","13.82","0.01","90","","96.95","0.06","90","","3898","4","90","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H96 N28 Ni3 O6 -","- C68 H96 N28 Ni3 O6 -","- C136 H192 N56 Ni6 O12 -","2","0.5","","Yamada, Susumu; Yasui, Masanori; Nogami, Takashi; Ishida, Takayuki","Self-assembled meso-helicates of linear trinuclear nickel(II)-radical complexes with triple pyrazolate bridges.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1622","1626","10.1039/b513618k","","","0.7107","MoKα","","","0.054","","","","0.051","","","","","","1.487","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006752","20.827","0.002","20.827","0.002","20.827","0.002","90","","90","","90","","9034","1.5","98","2","98","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C64 H96 N26 Ni3 O9 -","- C63.96 H84 N25.98 Ni3 O9.02 -","- C255.84 H336 N103.92 Ni12 O36.08 -","4","0.166667","","Yamada, Susumu; Yasui, Masanori; Nogami, Takashi; Ishida, Takayuki","Self-assembled meso-helicates of linear trinuclear nickel(II)-radical complexes with triple pyrazolate bridges.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1622","1626","10.1039/b513618k","","","0.71073","MoKα","","0.081","0.0742","","","0.2531","0.2622","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006753","14.49","0.003","24.163","0.005","13.777","0.003","90","","96.84","0.03","90","","4789.3","1.8","210","2","210","2","","","","","","","Crystals were grown from methanol","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H69 Cl2 Cr N6 O10 S2 -","- C40 H69 Cl2 Cr N6 O10 S2 -","- C160 H276 Cl8 Cr4 N24 O40 S8 -","4","1","","Journaux, Yves; Glaser, Thorsten; Steinfeld, Gunther; Lozan, Vasile; Kersting, Berthold","Preparation and characterization of Cr(III), Mn(II), Fe(II), Co(II) and Ni(II) complexes of a hexaazadithiophenolate macrocycle.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1738","1748","10.1039/b513717a","","","0.71073","MoKα","","0.2049","0.0665","","","0.1607","0.2192","","","","","","0.782","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006754","14.555","0.003","16.707","0.003","17.295","0.003","113.54","0.03","110.66","0.03","94.92","0.03","3479.5","1.9","210","2","210","2","","","","","","","Crystals were grown by recrystallization from a mixed acetonitrile/ethanol solvent system","7","P -1","-P 1","2","","","","- C70 H96 B Mn2 N9 O2 S2 -","- C70 H96 B Mn2 N9 O2 S2 -","- C140 H192 B2 Mn4 N18 O4 S4 -","2","1","","Journaux, Yves; Glaser, Thorsten; Steinfeld, Gunther; Lozan, Vasile; Kersting, Berthold","Preparation and characterization of Cr(III), Mn(II), Fe(II), Co(II) and Ni(II) complexes of a hexaazadithiophenolate macrocycle.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1738","1748","10.1039/b513717a","","","0.71073","MoKα","","0.0535","0.0326","","","0.0802","0.0858","","","","","","0.926","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006755","14.568","0.003","16.775","0.003","17.512","0.004","113.66","0.03","110.39","0.03","95.1","0.03","3541","2","210","2","210","2","","","","","","","Crystals were grown by recrystallization from a mixed acetonitrile/ethanol solvent system","7","P -1","-P 1","2","","","","- C69 H96 B Fe2 N8 O2.5 S2 -","- C69 H96 B Fe2 N8 O2.5 S2 -","- C138 H192 B2 Fe4 N16 O5 S4 -","2","1","","Journaux, Yves; Glaser, Thorsten; Steinfeld, Gunther; Lozan, Vasile; Kersting, Berthold","Preparation and characterization of Cr(III), Mn(II), Fe(II), Co(II) and Ni(II) complexes of a hexaazadithiophenolate macrocycle.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1738","1748","10.1039/b513717a","","","0.71073","MoKα","","0.1371","0.0453","","","0.1162","0.1403","","","","","","0.846","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006756","42.218","0.008","17.377","0.003","26.792","0.005","90","","103.224","0.005","90","","19134","6","95","2","95","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H66 Cl2 Cu4 N10 O17 -","- C57.3333 H56 Cl2 Cu4 N8.66667 O14 -","- C688 H672 Cl24 Cu48 N104 O168 -","12","1.5","","Pal Chaudhuri, Urmila; Whiteaker, Laura R.; Yang, Lei; Houser, Robert P.","Multinuclear copper complexes of pyridylmethylamide ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1902","1908","10.1039/b513763b","","","0.71073","MoKα","","0.0389","0.0351","","","0.102","0.105","","","","","","1.013","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006757","11.3265","0.0008","12.2802","0.0008","12.5623","0.0009","83.353","0.001","63.427","0.001","70.64","0.001","1473.27","0.18","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H58 Cu2 F6 N4 O12 S2 -","- C58 H58 Cu2 F6 N4 O12 S2 -","- C58 H58 Cu2 F6 N4 O12 S2 -","1","0.5","","Pal Chaudhuri, Urmila; Whiteaker, Laura R.; Yang, Lei; Houser, Robert P.","Multinuclear copper complexes of pyridylmethylamide ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1902","1908","10.1039/b513763b","","","0.71073","MoKα","","0.0269","0.0264","","","0.0747","0.0751","","","","","","1.042","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006758","9.08","0.002","10.766","0.003","11.438","0.003","76.204","0.003","80.283","0.003","77.456","0.003","1051.8","0.5","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H49 Cu2 F6 N4 O13.5 S2 -","- C28 H49 Cu2 F6 N4 O13.5 S2 -","- C28 H49 Cu2 F6 N4 O13.5 S2 -","1","0.5","","Pal Chaudhuri, Urmila; Whiteaker, Laura R.; Yang, Lei; Houser, Robert P.","Multinuclear copper complexes of pyridylmethylamide ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1902","1908","10.1039/b513763b","","","0.71073","MoKα","","0.0789","0.0704","","","0.1781","0.1833","","","","","","1.099","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006759","8.0282","0.0005","10.6399","0.0007","18.9041","0.0013","90","","99.36","0.001","90","","1593.27","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-amino-4-(3-pyridyl)-6-methylpyrimidine) mu- (OAc)4dicopper(ii)","bis(2-amino-4-(3-pyridyl)-6-methylpyrimidine) mu-(OAc)4dicopper(II)","","- C28 H32 Cu2 N8 O8 -","- C28 H32 Cu2 N8 O8 -","- C56 H64 Cu4 N16 O16 -","2","0.5","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","Directed supramolecular assembly of Cu(II)-based ""paddlewheels"" into infinite 1-D chains using structurally bifunctional ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1627","1635","10.1039/b513765a","","","0.71073","MoKα","","0.0301","0.0276","","","0.0751","0.0767","","","","","","1.052","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006760","8.28","0.0006","9.3983","0.0006","11.2233","0.0007","71.144","0.004","81.585","0.004","79.24","0.004","808.49","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(2-amino-4-(3-pyridyl)-6-methoxypyrimidine) mu-(OAc)4 dicopper(ii)","bis(2-amino-4-(3-pyridyl)-6-methoxypyrimidine) mu-(OAc)4 dicopper(II)","","- C28 H32 Cu2 N8 O10 -","- C28 H32 Cu2 N8 O10 -","- C28 H32 Cu2 N8 O10 -","1","0.5","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","Directed supramolecular assembly of Cu(II)-based ""paddlewheels"" into infinite 1-D chains using structurally bifunctional ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1627","1635","10.1039/b513765a","","","0.71073","MoKα","","0.0482","0.0376","","","0.0935","0.0999","","","","","","1.3","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006761","10.131","0.0009","10.5499","0.0008","12.2936","0.0009","64.853","0.005","86.149","0.005","67.896","0.004","1095.24","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","(2-amino-4-(3-pyridyl)-6-methoxypyridine)2, (2- fluorobenzoate)4 Cu2","[2-amino-4-(3-pyridyl)-6-methoxypyridine]2, [2-fluorobenzoate]4 Cu2","","- C48 H36 Cu2 F4 N8 O10 -","- C48 H36 Cu2 F4 N8 O10 -","- C48 H36 Cu2 F4 N8 O10 -","1","0.5","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","Directed supramolecular assembly of Cu(II)-based ""paddlewheels"" into infinite 1-D chains using structurally bifunctional ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1627","1635","10.1039/b513765a","","","0.71073","MoKα","","0.0725","0.058","","","0.1523","0.1635","","","","","","1.043","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006762","21.3553","0.0018","17.9389","0.0015","11.4887","0.0009","90","","90.742","0.005","90","","4400.8","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(2-amino-4-(3-pyridyl)-6-methylpyridine)2, (2FPhCOO)4 Cu2","(2-amino-4-(3-pyridyl)-6-methylpyridine)2, (2FPhCOO)4 Cu2","","- C48 H36 Cu2 F4 N8 O8 -","- C48 H36 Cu2 F4 N8 O8 -","- C192 H144 Cu8 F16 N32 O32 -","4","1","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","Directed supramolecular assembly of Cu(II)-based ""paddlewheels"" into infinite 1-D chains using structurally bifunctional ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1627","1635","10.1039/b513765a","","","0.71073","MoKα","","0.0965","0.047","","","0.106","0.124","","","","","","0.984","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006763","7.6304","0.0013","11.387","0.0019","12.341","0.002","76.216","0.003","84.191","0.003","79.459","0.003","1022","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1-(2-NH2-4-pyrimidyl)-2-(3-methoxy-5-pyridyl)ethyne (AcO)4Cu2 (EtO).6 (CH3CN).8","1-(2-NH2-4-pyrimidyl)-2-(3-methoxy-5-pyridyl)ethyne (AcO)4Cu2 (EtO).6 (CH3CN).8","","- C36.8 H41.4 Cu2 N8.8 O10.6 -","- C36.8 H41.4 Cu2 N8.8 O10.6 -","- C36.8 H41.4 Cu2 N8.8 O10.6 -","1","0.5","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","Directed supramolecular assembly of Cu(II)-based ""paddlewheels"" into infinite 1-D chains using structurally bifunctional ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1627","1635","10.1039/b513765a","","","0.71073","MoKα","","0.0543","0.0465","","","0.1284","0.1339","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006764","9.3471","0.0009","15.585","0.0015","12.9025","0.0011","90","","104.714","0.007","90","","1817.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-(2-NH2-5-pyridyl)-2-(3-pyridyl)-ethyne, (2FPhCOO)4Cu2","1-(2-NH2-5-pyridyl)-2-(3-pyridyl)-ethyne, (2FPhCOO)4Cu2","","- C40 H25 Cu2 F4 N3 O8 -","- C40 H25 Cu2 F4 N3 O8 -","- C80 H50 Cu4 F8 N6 O16 -","2","0.5","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","Directed supramolecular assembly of Cu(II)-based ""paddlewheels"" into infinite 1-D chains using structurally bifunctional ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1627","1635","10.1039/b513765a","","","0.71073","MoKα","","0.1077","0.0598","","","0.1275","0.1457","","","","","","0.894","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006765","8.1368","0.0011","8.3062","0.0011","8.749","0.0012","86.244","0.003","80.48","0.003","80.539","0.003","574.79","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1-(2-NH2-5-pyridyl)-2-(3-pyridyl)-ethyne, (CH3COO)4Cu2","1-(2-NH2-5-pyridyl)-2-(3-pyridyl)-ethyne, (CH3COO)4Cu2","","- C20 H21 Cu2 N3 O8 -","- C20 H21 Cu2 N3 O8 -","- C20 H21 Cu2 N3 O8 -","1","0.5","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","Directed supramolecular assembly of Cu(II)-based ""paddlewheels"" into infinite 1-D chains using structurally bifunctional ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1627","1635","10.1039/b513765a","","","0.71073","MoKα","","0.0655","0.0553","","","0.1354","0.1398","","","","","","0.969","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006766","12.3904","0.0005","19.1948","0.0008","24.8906","0.0009","90","","93.662","0.001","90","","5907.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H78 B F4 O5 P2 Rh -","- C66 H78 B F4 O5 P2 Rh -","- C264 H312 B4 F16 O20 P8 Rh4 -","4","1","","Jiménez-Rodríguez, Cristina; Roca, Francesc X.; Bo, Carles; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","SPANphos: trans-spanning diphosphines as cis chelating ligands!","Dalton transactions (Cambridge, England : 2003)","2006","","1","268","278","10.1039/b513870c","","","0.71073","MoKα","","0.0499","0.0374","","","0.0997","0.1076","","","","","","1.048","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006767","13.0532","0.0008","19.6411","0.0012","19.8764","0.0013","90","","94.746","0.002","90","","5078.4","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 B Cl6 F4 O2 P2 Rh -","- C44 H64 B Cl6 F4 O2 P2 Rh -","- C176 H256 B4 Cl24 F16 O8 P8 Rh4 -","4","1","","Jiménez-Rodríguez, Cristina; Roca, Francesc X.; Bo, Carles; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","SPANphos: trans-spanning diphosphines as cis chelating ligands!","Dalton transactions (Cambridge, England : 2003)","2006","","1","268","278","10.1039/b513870c","","","0.71073","MoKα","","0.0481","0.0335","","","0.0814","0.0899","","","","","","1.036","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006768","12.4171","0.0006","27.9184","0.0014","17.4627","0.0009","90","","104.47","0.001","90","","5861.7","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H80 B Cl6 F4 O2 P2 Rh -","- C56 H80 B Cl6 F4 O2 P2 Rh -","- C224 H320 B4 Cl24 F16 O8 P8 Rh4 -","4","1","","Jiménez-Rodríguez, Cristina; Roca, Francesc X.; Bo, Carles; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","SPANphos: trans-spanning diphosphines as cis chelating ligands!","Dalton transactions (Cambridge, England : 2003)","2006","","1","268","278","10.1039/b513870c","","","0.71073","MoKα","","0.061","0.0466","","","0.1232","0.1342","","","","","","1.04","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006769","31.357","0.01","19.516","0.005","20.294","0.007","90","","90","","90","","12419","7","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C60 H78 B F4 O2 P2 Rh -","- C60 H78 B F4 O2 P2 Rh -","- C480 H624 B8 F32 O16 P16 Rh8 -","8","1","","Jiménez-Rodríguez, Cristina; Roca, Francesc X.; Bo, Carles; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","SPANphos: trans-spanning diphosphines as cis chelating ligands!","Dalton transactions (Cambridge, England : 2003)","2006","","1","268","278","10.1039/b513870c","","","0.71073","MoKα","","0.1367","0.0777","","","0.1813","0.2172","","","","","","1.117","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006770","12.386","0.0015","18.114","0.002","21.617","0.003","90","","97.392","0.004","90","","4809.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H78 Cl2 O2 P2 Rh2 -","- C51 H78 Cl2 O2 P2 Rh2 -","- C204 H312 Cl8 O8 P8 Rh8 -","4","1","","Jiménez-Rodríguez, Cristina; Roca, Francesc X.; Bo, Carles; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","SPANphos: trans-spanning diphosphines as cis chelating ligands!","Dalton transactions (Cambridge, England : 2003)","2006","","1","268","278","10.1039/b513870c","","","0.71073","MoKα","","0.1104","0.0683","","","0.1741","0.1957","","","","","","1.055","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006771","14.0174","0.0019","14.21","0.002","19.617","0.003","100.226","0.003","109.755","0.003","101.837","0.003","3467.6","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66.67 H69.67 Cl13 O2 P2 Rh2 -","- C66.67 H69.67 Cl13.01 O2 P2 Rh2 -","- C133.34 H139.34 Cl26.02 O4 P4 Rh4 -","2","1","","Jiménez-Rodríguez, Cristina; Roca, Francesc X.; Bo, Carles; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","SPANphos: trans-spanning diphosphines as cis chelating ligands!","Dalton transactions (Cambridge, England : 2003)","2006","","1","268","278","10.1039/b513870c","","","0.71073","MoKα","","0.1396","0.0806","","","0.1884","0.2369","","","","","","1.018","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006772","10.8544","0.001","11.1005","0.0011","15.1731","0.0015","85.28","0.002","89.538","0.002","63.872","0.002","1635","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H54 O2 P2 -","- C35 H54 O2 P2 -","- C70 H108 O4 P4 -","2","1","","Jiménez-Rodríguez, Cristina; Roca, Francesc X.; Bo, Carles; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","SPANphos: trans-spanning diphosphines as cis chelating ligands!","Dalton transactions (Cambridge, England : 2003)","2006","","1","268","278","10.1039/b513870c","","","0.71073","MoKα","","0.0631","0.0536","","","0.1668","0.1721","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006773","11.764","0.0005","24.9675","0.0011","12.5726","0.0006","90","","96.955","0.001","90","","3665.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 O4 P2 -","- C47 H42 O4 P2 -","- C188 H168 O16 P8 -","4","1","","Jiménez-Rodríguez, Cristina; Roca, Francesc X.; Bo, Carles; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","SPANphos: trans-spanning diphosphines as cis chelating ligands!","Dalton transactions (Cambridge, England : 2003)","2006","","1","268","278","10.1039/b513870c","","","0.71073","MoKα","","0.0507","0.0402","","","0.1116","0.1187","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006774","39.0066","0.0013","11.648","0.0005","16.9525","0.0006","90","","101.88","0.001","90","","7537.4","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H62 O2 P2 -","- C39 H62 O2 P2 -","- C312 H496 O16 P16 -","8","1","","Jiménez-Rodríguez, Cristina; Roca, Francesc X.; Bo, Carles; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","SPANphos: trans-spanning diphosphines as cis chelating ligands!","Dalton transactions (Cambridge, England : 2003)","2006","","1","268","278","10.1039/b513870c","","","0.71073","MoKα","","0.0528","0.0417","","","0.115","0.1223","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006775","16.7167","0.0013","11.4815","0.0008","16.6129","0.001","90","","95.47","0.005","90","","3174","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 F6 Fe N4 O6 S2 -","- C28 H22 F6 Fe N4 O6 S2 -","- C112 H88 F24 Fe4 N16 O24 S8 -","4","0.5","","Britovsek, George J. P.; England, Jason; White, Andrew J. P.","Iron(II), manganese(II) and cobalt(II) complexes containing tetradentate biphenyl-bridged ligands and their application in alkane oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1399","1408","10.1039/b513886h","","","0.71073","MoKα","","0.0645","0.0431","","0.1121","0.0993","","","","1.043","1.099","1.099","","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006776","10.299","0.0017","11.717","0.004","15.587","0.002","94.1","0.03","102.471","0.018","115.1","0.02","1634.6","0.8","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 F6 Fe N4 O6 S2 -","- C30 H30 F6 Fe N4 O6 S2 -","- C60 H60 F12 Fe2 N8 O12 S4 -","2","1","","Britovsek, George J. P.; England, Jason; White, Andrew J. P.","Iron(II), manganese(II) and cobalt(II) complexes containing tetradentate biphenyl-bridged ligands and their application in alkane oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1399","1408","10.1039/b513886h","","","0.71073","MoKα","","0.0937","0.0619","","","0.172","0.2118","","","","","","1.114","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006777","15.6612","0.0018","16.3201","0.0019","26.832","0.003","90","","90","","90","","6858.1","1.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H48 N2 Ni P -","- C35 H48 N2 Ni P -","- C280 H384 N16 Ni8 P8 -","8","1","","Bai, Guangcai; Wei, Pingrong; Das, Anjan K.; Stephan, Douglas W.","P-H and P-P bond activation by Ni(I) and Fe(I) beta-diketiminato-complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1141","1146","10.1039/b513892b","","","0.71073","MoKα","","0.1385","0.0633","","","0.1411","0.1896","","","","","","1.055","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006778","13.311","0.0016","20.471","0.002","14.5076","0.0017","90","","101.689","0.002","90","","3871.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 N2 Ni P -","- C41 H51.86 N2 Ni P -","- C164 H207.44 N8 Ni4 P4 -","4","1","","Bai, Guangcai; Wei, Pingrong; Das, Anjan K.; Stephan, Douglas W.","P-H and P-P bond activation by Ni(I) and Fe(I) beta-diketiminato-complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1141","1146","10.1039/b513892b","","","0.71073","MoKα","","0.1294","0.0649","","","0.1504","0.195","","","","","","0.967","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006779","11.97","0.004","22.83","0.008","13.765","0.005","90","","97.209","0.009","90","","3732","2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H53 Fe N2 -","- C43 H53 Fe N2 -","- C172 H212 Fe4 N8 -","4","1","","Bai, Guangcai; Wei, Pingrong; Das, Anjan K.; Stephan, Douglas W.","P-H and P-P bond activation by Ni(I) and Fe(I) beta-diketiminato-complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1141","1146","10.1039/b513892b","","","0.71073","MoKα","","0.0577","0.0397","","","0.0983","0.1082","","","","","","1.019","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006780","13.1127","0.0006","14.2879","0.0007","19.5668","0.0009","90","","92.856","0.001","90","","3661.3","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H50 Fe N2 P -","- C38.5 H46 Fe N2 P -","- C154 H184 Fe4 N8 P4 -","4","1","","Bai, Guangcai; Wei, Pingrong; Das, Anjan K.; Stephan, Douglas W.","P-H and P-P bond activation by Ni(I) and Fe(I) beta-diketiminato-complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1141","1146","10.1039/b513892b","","","0.71073","MoKα","","0.0838","0.0486","","","0.1179","0.1446","","","","","","0.905","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006781","23.028","0.006","13.781","0.004","24.031","0.007","90","","106.742","0.008","90","","7303","4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80.5 H103.5 N4 Ni2 P2 -","- C80.5 H103.5 N4 Ni2 P2 -","- C322 H414 N16 Ni8 P8 -","4","1","","Bai, Guangcai; Wei, Pingrong; Das, Anjan K.; Stephan, Douglas W.","P-H and P-P bond activation by Ni(I) and Fe(I) beta-diketiminato-complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1141","1146","10.1039/b513892b","","","0.71073","MoKα","","0.1636","0.0803","","","0.1813","0.2182","","","","","","0.905","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006782","11.6412","0.0003","18.7028","0.0005","16.4521","0.0004","90","","95.529","0.002","90","","3565.34","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 Cl8 Cu N3 O -","- C29 H37 Cl8 Cu N3 O -","- C116 H148 Cl32 Cu4 N12 O4 -","4","1","","Pavlova, Svetlana V.; To, Hing Lun; Chan, Edith S. H.; Li, Hung-Wing; Mak, Thomas C. W.; Lee, Hung Kay; Chan, Sunney I.","Synthesis, structure and dioxygen reactivity of a bis(micro-iodo)dicopper(I) complex supported by the [N-(3,5-di-tert-butyl-2-hydroxybenzyl)-N,N-di-(2-pyridylmethyl)]amine ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2232","2243","10.1039/b513898a","","","0.71073","MoKα","","0.0544","0.0305","","","0.0491","0.051","","","","","","0.785","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006783","38.658","0.002","9.2999","0.0005","18.7382","0.001","90","","110.782","0.001","90","","6298.4","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 Cl4 Cu2 I2 N6 O2 -","- C28 H37 Cl2 Cu I N3 O -","- C224 H296 Cl16 Cu8 I8 N24 O8 -","8","1","","Pavlova, Svetlana V.; To, Hing Lun; Chan, Edith S. H.; Li, Hung-Wing; Mak, Thomas C. W.; Lee, Hung Kay; Chan, Sunney I.","Synthesis, structure and dioxygen reactivity of a bis(micro-iodo)dicopper(I) complex supported by the [N-(3,5-di-tert-butyl-2-hydroxybenzyl)-N,N-di-(2-pyridylmethyl)]amine ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2232","2243","10.1039/b513898a","","","0.71073","MoKα","","0.0537","0.0385","","","0.1002","0.1057","","","","","","1.055","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006784","15.28","0.0009","11.3451","0.0007","17.5634","0.0008","90","","123.776","0.003","90","","2530.8","0.3","298","","298","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 Ag2 Cl6 F6 N4 O8 S6 -","- C32 H46 Ag2 Cl6 F6 N4 O8 S6 -","- C64 H92 Ag4 Cl12 F12 N8 O16 S12 -","2","0.5","","Habata, Yoichi; Osaka, Futoshi","Dimetallo[3.3]para- and metacyclophanes by self-assembly of pyridylmethyl armed-monoazatrithia- and monoazadithiaoxa-12-crown-4 ethers with Ag+ ions.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1836","1841","10.1039/b513931g","","","0.71073","MoKα","","0.0406","0.0336","","","0.0879","0.0932","","","","","","1.031","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006785","8.6613","0.0007","10.9064","0.0009","13.7569","0.0011","81.397","0.002","72.028","0.001","72.695","0.002","1177.77","0.17","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H50 Ag2 F6 N6 O8 S8 -","- C35.66 H50 Ag2 F5.64 N6 O6.36 S7.38 -","- C35.66 H50 Ag2 F5.64 N6 O6.36 S7.38 -","1","0.5","","Habata, Yoichi; Osaka, Futoshi","Dimetallo[3.3]para- and metacyclophanes by self-assembly of pyridylmethyl armed-monoazatrithia- and monoazadithiaoxa-12-crown-4 ethers with Ag+ ions.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1836","1841","10.1039/b513931g","","","0.71073","MoKα","","0.0387","0.0338","","","0.0905","0.0939","","","","","","1.027","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006786","8.4105","0.0012","10.3316","0.0015","13.9","0.002","95.302","0.003","98.218","0.003","109.098","0.003","1117.1","0.3","298","","298","","","","","","","","","8","P -1","-P 1","2","","","","- C32 H50 Ag2 F12 N6 O2 P2 S4 -","- C32 H50 Ag2 F12 N6 O2 P2 S4 -","- C32 H50 Ag2 F12 N6 O2 P2 S4 -","1","0.5","","Habata, Yoichi; Osaka, Futoshi","Dimetallo[3.3]para- and metacyclophanes by self-assembly of pyridylmethyl armed-monoazatrithia- and monoazadithiaoxa-12-crown-4 ethers with Ag+ ions.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1836","1841","10.1039/b513931g","","","0.71073","MoKα","","0.0473","0.0406","","","0.1103","0.1161","","","","","","1.046","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006787","14.4836","0.0008","12.5433","0.0007","13.727","0.0008","90","","108.815","0.001","90","","2360.6","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 Ag2 F6 N6 O6 S8 -","- C34 H50 Ag2 F6 N6 O6 S8 -","- C68 H100 Ag4 F12 N12 O12 S16 -","2","0.5","","Habata, Yoichi; Osaka, Futoshi","Dimetallo[3.3]para- and metacyclophanes by self-assembly of pyridylmethyl armed-monoazatrithia- and monoazadithiaoxa-12-crown-4 ethers with Ag+ ions.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1836","1841","10.1039/b513931g","","","0.71073","MoKα","","0.0418","0.0336","","","0.088","0.093","","","","","","1.044","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006788","12.611","0.003","12.557","0.005","19.535","0.005","90","","105.48","0.02","90","","2981.3","1.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Iodotrimethyl(1,3-bis(diphenylstibino)propane)platinum(IV)","","- C30 H35 I Pt Sb2 -","- C30 H35 I Pt Sb2 -","- C120 H140 I4 Pt4 Sb8 -","4","1","","Brown, Michael D.; Levason, William; Reid, Gillian; Webster, Michael","Preparation, properties and structures of the first series of organometallic Pt(II) and Pt(IV) complexes with stibine co-ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1667","1674","10.1039/b514019f","","","0.71073","MoKα","","0.1687","0.06","","","0.0968","0.1236","","","","","","0.987","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006789","14.035","0.004","10.851","0.003","11.349","0.002","90","","90","","90","","1728.4","0.8","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Iodotrimethyl(1,3-bis(dimethylstibino)propane)platinum(IV)","","- C10 H27 I Pt Sb2 -","- C10 H27 I Pt Sb2 -","- C40 H108 I4 Pt4 Sb8 -","4","0.5","","Brown, Michael D.; Levason, William; Reid, Gillian; Webster, Michael","Preparation, properties and structures of the first series of organometallic Pt(II) and Pt(IV) complexes with stibine co-ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1667","1674","10.1039/b514019f","","","0.71073","MoKα","","0.0558","0.0346","","","0.0644","0.0703","","","","","","1.066","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006790","11.7559","0.0016","9.2374","0.0012","19.124","0.002","90","","102.258","0.006","90","","2029.4","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Iodotrimethyl(1,2-bis(dimethylstibinomethyl)benzene)platinum(IV)","","- C15 H29 I Pt Sb2 -","- C15 H29 I Pt Sb2 -","- C60 H116 I4 Pt4 Sb8 -","4","1","","Brown, Michael D.; Levason, William; Reid, Gillian; Webster, Michael","Preparation, properties and structures of the first series of organometallic Pt(II) and Pt(IV) complexes with stibine co-ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1667","1674","10.1039/b514019f","","","0.71073","MoKα","","0.0314","0.0252","","","0.0573","0.0598","","","","","","1.055","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006791","9.6674","0.001","18.681","0.003","19.993","0.003","81.604","0.007","89.966","0.008","83.681","0.008","3549.8","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Iodotrimethylbis(triphenylstibine)platinum(IV)","","- C39 H39 I Pt Sb2 -","- C39 H36 I Pt Sb2 -","- C156 H144 I4 Pt4 Sb8 -","4","2","","Brown, Michael D.; Levason, William; Reid, Gillian; Webster, Michael","Preparation, properties and structures of the first series of organometallic Pt(II) and Pt(IV) complexes with stibine co-ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1667","1674","10.1039/b514019f","","","0.71073","MoKα","","0.1066","0.0572","","","0.0906","0.1031","","","","","","1.058","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006792","9.796","0.001","11.747","0.001","15.385","0.001","103.79","0.006","93.514","0.005","90.628","0.004","1715.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis(iodotrimethylplatinum(IV))-mu-bis(diphenylstibino)methane","","- C31 H40 I2 Pt2 Sb2 -","- C31 H40 I2 Pt2 Sb2 -","- C62 H80 I4 Pt4 Sb4 -","2","1","","Brown, Michael D.; Levason, William; Reid, Gillian; Webster, Michael","Preparation, properties and structures of the first series of organometallic Pt(II) and Pt(IV) complexes with stibine co-ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1667","1674","10.1039/b514019f","","","0.71073","MoKα","","0.032","0.0284","","","0.0851","0.0879","","","","","","1.021","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006793","13.1173","0.0014","13.4589","0.0014","29.467","0.003","96.884","0.002","100.592","0.002","105.883","0.002","4838","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C109 H103 Au2 Ni0.26 O8 P5 Pt3.74 -","- C109 H103 Au2 Ni0.26 O8 P5 Pt3.74 -","- C218 H206 Au4 Ni0.52 O16 P10 Pt7.48 -","2","1","","de Silva, Namal; Nichiporuk, Rita V.; Dahl, Lawrence F.","Syntheses and structural analyses of variable-stoichiometric Au-Pt-Ni carbonyl/phosphine clusters, Pt3(Pt(1-x)Ni(x))(AuPPh3)2(mu2-CO)4(CO)(PPh3)3 and Pt2(Pt(2-y)Ni(y))(AuPPh3)2(mu2-CO)4(CO)2(PPh3)2, with ligation-induced site-specific Pt/Ni substitutional disorder within butterfly-based Pt3(Pt(1-x)Ni(x))Au2 and Pt2(Pt(2-y)Ni(y))Au2 core-geometries.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2291","2300","10.1039/b514105m","","","0.71073","MoKα","","0.1385","0.0945","","","0.23","0.2533","","","","","","1.085","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006794","13.014","0.003","13.517","0.003","26.827","0.006","87.091","0.004","82.892","0.004","74.258","0.004","4506.5","1.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C103 H91 Au2 Ni0.74 O7 P5 Pt3.26 -","- C103 H91 Au2 Ni0.74 O7 P5 Pt3.26 -","- C206 H182 Au4 Ni1.48 O14 P10 Pt6.52 -","2","1","","de Silva, Namal; Nichiporuk, Rita V.; Dahl, Lawrence F.","Syntheses and structural analyses of variable-stoichiometric Au-Pt-Ni carbonyl/phosphine clusters, Pt3(Pt(1-x)Ni(x))(AuPPh3)2(mu2-CO)4(CO)(PPh3)3 and Pt2(Pt(2-y)Ni(y))(AuPPh3)2(mu2-CO)4(CO)2(PPh3)2, with ligation-induced site-specific Pt/Ni substitutional disorder within butterfly-based Pt3(Pt(1-x)Ni(x))Au2 and Pt2(Pt(2-y)Ni(y))Au2 core-geometries.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2291","2300","10.1039/b514105m","","","0.71073","MoKα","","0.1421","0.0915","","","0.197","0.2187","","","","","","1.103","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006795","29.9388","0.0009","16.0007","0.0004","19.5022","0.0007","90","","125.482","0.001","90","","7607.5","0.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C82 H66 Au2 N2 Ni0.64 O6 P4 Pt3.36 -","- C82 H66 Au2 N2 Ni0.64 O6 P4 Pt3.36 -","- C328 H264 Au8 N8 Ni2.56 O24 P16 Pt13.44 -","4","0.5","","de Silva, Namal; Nichiporuk, Rita V.; Dahl, Lawrence F.","Syntheses and structural analyses of variable-stoichiometric Au-Pt-Ni carbonyl/phosphine clusters, Pt3(Pt(1-x)Ni(x))(AuPPh3)2(mu2-CO)4(CO)(PPh3)3 and Pt2(Pt(2-y)Ni(y))(AuPPh3)2(mu2-CO)4(CO)2(PPh3)2, with ligation-induced site-specific Pt/Ni substitutional disorder within butterfly-based Pt3(Pt(1-x)Ni(x))Au2 and Pt2(Pt(2-y)Ni(y))Au2 core-geometries.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2291","2300","10.1039/b514105m","","","0.71073","MoKα","","0.0331","0.0236","","","0.0641","0.0802","","","","","","1.227","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006796","12.976","0.0007","38.978","0.002","15.5989","0.0009","90","","97.054","0.001","90","","7829.9","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H76 Au2 Ni1.88 O8 P4 Pt2.12 -","- C86 H76 Au2 Ni1.88 O8 P4 Pt2.12 -","- C344 H304 Au8 Ni7.52 O32 P16 Pt8.48 -","4","1","","de Silva, Namal; Nichiporuk, Rita V.; Dahl, Lawrence F.","Syntheses and structural analyses of variable-stoichiometric Au-Pt-Ni carbonyl/phosphine clusters, Pt3(Pt(1-x)Ni(x))(AuPPh3)2(mu2-CO)4(CO)(PPh3)3 and Pt2(Pt(2-y)Ni(y))(AuPPh3)2(mu2-CO)4(CO)2(PPh3)2, with ligation-induced site-specific Pt/Ni substitutional disorder within butterfly-based Pt3(Pt(1-x)Ni(x))Au2 and Pt2(Pt(2-y)Ni(y))Au2 core-geometries.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2291","2300","10.1039/b514105m","","","0.71073","MoKα","","0.1223","0.0611","","","0.1214","0.1505","","","","","","1.01","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006797","13.1076","0.0013","13.4537","0.0013","29.459","0.003","96.9","0.002","100.617","0.002","105.808","0.002","4832.6","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C109 H103 Au2 Ni0.17 O8 P5 Pt3.83 -","- C109 H103 Au2 Ni0.17 O8 P5 Pt3.83 -","- C218 H206 Au4 Ni0.34 O16 P10 Pt7.66 -","2","1","","de Silva, Namal; Nichiporuk, Rita V.; Dahl, Lawrence F.","Syntheses and structural analyses of variable-stoichiometric Au-Pt-Ni carbonyl/phosphine clusters, Pt3(Pt(1-x)Ni(x))(AuPPh3)2(mu2-CO)4(CO)(PPh3)3 and Pt2(Pt(2-y)Ni(y))(AuPPh3)2(mu2-CO)4(CO)2(PPh3)2, with ligation-induced site-specific Pt/Ni substitutional disorder within butterfly-based Pt3(Pt(1-x)Ni(x))Au2 and Pt2(Pt(2-y)Ni(y))Au2 core-geometries.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2291","2300","10.1039/b514105m","","","0.71073","MoKα","","0.0858","0.0688","","","0.1854","0.1984","","","","","","1.18","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006798","12.8759","0.0003","13.4323","0.0004","27.0507","0.0007","87.859","0.001","88.806","0.001","74.197","0.001","4498.2","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C95 H75 Au2 Ni0.79 O5 P5 Pt3.21 -","- C95 H75 Au2 Ni0.79 O5 P5 Pt3.21 -","- C190 H150 Au4 Ni1.58 O10 P10 Pt6.42 -","2","1","","de Silva, Namal; Nichiporuk, Rita V.; Dahl, Lawrence F.","Syntheses and structural analyses of variable-stoichiometric Au-Pt-Ni carbonyl/phosphine clusters, Pt3(Pt(1-x)Ni(x))(AuPPh3)2(mu2-CO)4(CO)(PPh3)3 and Pt2(Pt(2-y)Ni(y))(AuPPh3)2(mu2-CO)4(CO)2(PPh3)2, with ligation-induced site-specific Pt/Ni substitutional disorder within butterfly-based Pt3(Pt(1-x)Ni(x))Au2 and Pt2(Pt(2-y)Ni(y))Au2 core-geometries.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2291","2300","10.1039/b514105m","","","0.71073","MoKα","","0.0715","0.046","","","0.1357","0.157","","","","","","1.052","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006799","29.925","0.0012","16.0342","0.0006","19.4952","0.0008","90","","125.55","0.001","90","","7610.7","0.5","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C82 H66 Au2 N2 Ni0.42 O6 P4 Pt3.58 -","- C82 H66 Au2 N2 Ni0.42 O6 P4 Pt3.58 -","- C328 H264 Au8 N8 Ni1.68 O24 P16 Pt14.32 -","4","0.5","","de Silva, Namal; Nichiporuk, Rita V.; Dahl, Lawrence F.","Syntheses and structural analyses of variable-stoichiometric Au-Pt-Ni carbonyl/phosphine clusters, Pt3(Pt(1-x)Ni(x))(AuPPh3)2(mu2-CO)4(CO)(PPh3)3 and Pt2(Pt(2-y)Ni(y))(AuPPh3)2(mu2-CO)4(CO)2(PPh3)2, with ligation-induced site-specific Pt/Ni substitutional disorder within butterfly-based Pt3(Pt(1-x)Ni(x))Au2 and Pt2(Pt(2-y)Ni(y))Au2 core-geometries.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2291","2300","10.1039/b514105m","","","0.71073","MoKα","","0.0502","0.0399","","","0.0964","0.116","","","","","","0.977","","","","has coordinates,has disorder","179771","2020-10-21","18:00:00",""
"7006800","47.947","0.003","15.7633","0.0011","20.0318","0.0014","90","","96.597","0.001","90","","15039.8","1.8","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C79 H62 Au2 Cl2 Ni1.9 O6 P4 Pt2.1 -","- C79 H62 Au2 Cl2 Ni1.9 O6 P4 Pt2.1 -","- C632 H496 Au16 Cl16 Ni15.2 O48 P32 Pt16.8 -","8","1","","de Silva, Namal; Nichiporuk, Rita V.; Dahl, Lawrence F.","Syntheses and structural analyses of variable-stoichiometric Au-Pt-Ni carbonyl/phosphine clusters, Pt3(Pt(1-x)Ni(x))(AuPPh3)2(mu2-CO)4(CO)(PPh3)3 and Pt2(Pt(2-y)Ni(y))(AuPPh3)2(mu2-CO)4(CO)2(PPh3)2, with ligation-induced site-specific Pt/Ni substitutional disorder within butterfly-based Pt3(Pt(1-x)Ni(x))Au2 and Pt2(Pt(2-y)Ni(y))Au2 core-geometries.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2291","2300","10.1039/b514105m","","","0.71073","MoKα","","0.0688","0.0429","","","0.1022","0.1212","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006801","12.098","0.001","22.786","0.001","11.955","0.001","90","","113.68","0.001","90","","3018.1","0.4","85","2","85","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H64 N21 Na O48 Si W11 -","- C10 H48 N21 Na O48 Si W11 -","- C20 H96 N42 Na2 O96 Si2 W22 -","2","1","","Chiba, Hirokazu; Wada, Akihide; Ozeki, Tomoji","Cation-controlled assembly of Na±linked lacunary alpha-Keggin tungstosilicates.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1213","1217","10.1039/b514169a","","","0.3282","synchrotron","","0.0247","0.0246","","","0.0593","0.0594","","","","","","1.098","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006802","19.457","0.001","22.581","0.001","11.069","0.001","90","","90","","90","","4863.3","0.5","100","2","100","2","","","","","","","","8","A m a 2","A 2 -2a","40","","","","- C H29 K6 N3 Na O50.5 Si W11 -","- C H6 K6 N3 Na O50.46 Si W11 -","- C4 H24 K24 N12 Na4 O201.84 Si4 W44 -","4","0.5","","Chiba, Hirokazu; Wada, Akihide; Ozeki, Tomoji","Cation-controlled assembly of Na±linked lacunary alpha-Keggin tungstosilicates.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1213","1217","10.1039/b514169a","","","0.3282","synchrotron","","0.0274","0.0255","","","0.0622","0.0633","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006803","20.2884","0.0015","8.4867","0.0007","15.4068","0.0012","90","","109.344","0.002","90","","2503","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cl Co N4 O6 -","- C26 H26 Cl Co N4 O6 -","- C104 H104 Cl4 Co4 N16 O24 -","4","0.5","","Shakya, Rajendra; Imbert, Camille; Hratchian, Hrant P.; Lanznaster, Mauricio; Heeg, Mary Jane; McGarvey, Bruce R.; Allard, Marco; Schlegel, H. Bernhard; Verani, Claudio N.","Structural, spectroscopic, and electrochemical behavior of trans-phenolato cobalt(III) complexes of asymmetric NN'O ligands as archetypes for metallomesogens.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2517","2525","10.1039/b514190g","","","0.71073","MoK\α","","0.047","0.0305","","","0.0745","0.0832","","","","","","1.05","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006804","11.817","0.0008","14.8833","0.0009","17.2517","0.0012","90","","108.448","0.003","90","","2878.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Cl Co N4 O9 -","- C28 H32 Cl Co N4 O9 -","- C112 H128 Cl4 Co4 N16 O36 -","4","1","","Shakya, Rajendra; Imbert, Camille; Hratchian, Hrant P.; Lanznaster, Mauricio; Heeg, Mary Jane; McGarvey, Bruce R.; Allard, Marco; Schlegel, H. Bernhard; Verani, Claudio N.","Structural, spectroscopic, and electrochemical behavior of trans-phenolato cobalt(III) complexes of asymmetric NN'O ligands as archetypes for metallomesogens.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2517","2525","10.1039/b514190g","","","0.71073","MoK\α","","0.0771","0.0393","","","0.0812","0.0921","","","","","","1.006","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006805","11.1872","0.0006","22.7813","0.0013","22.194","0.0013","90","","98.922","0.002","90","","5587.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl5 Co N4 O6 -","- C26 H22 Cl5 Co N4 O6 -","- C208 H176 Cl40 Co8 N32 O48 -","8","2","","Shakya, Rajendra; Imbert, Camille; Hratchian, Hrant P.; Lanznaster, Mauricio; Heeg, Mary Jane; McGarvey, Bruce R.; Allard, Marco; Schlegel, H. Bernhard; Verani, Claudio N.","Structural, spectroscopic, and electrochemical behavior of trans-phenolato cobalt(III) complexes of asymmetric NN'O ligands as archetypes for metallomesogens.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2517","2525","10.1039/b514190g","","","0.71073","MoK\α","","0.0553","0.0334","","","0.079","0.0853","","","","","","1.051","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006806","10.9379","0.0011","17.702","0.002","23.203","0.003","103.836","0.01","94.17","0.009","103.845","0.009","4195.1","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C60.5 H121 B22 Cl5 N4 P2 Ru Sn2 -","- C60.5 H120 B22 Cl5 N4 P2 Ru Sn2 -","- C121 H240 B44 Cl10 N8 P4 Ru2 Sn4 -","2","1","","Gädt, Torben; Wesemann, Lars","An unprecedented, reversible coordination mode rearrangement: eta3(B-H) vs.eta1(Sn) stanna-closo-dodecaborate coordination.","Dalton transactions (Cambridge, England : 2003)","2006","","2","328","329","10.1039/b514203m","","","0.71073","MoKα","","0.0952","0.0785","","","0.1872","0.1983","","","","","","1.122","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006807","30.0777","0.0018","9.1795","0.0005","22.093","0.0012","90","","121.318","0.006","90","","5211.1","0.6","295","2","295","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","(Ru(h6-cymene)(2-benzoylpyridine)Cl)PF6","","","- C23 H23 Cl F6 N O2 P Ru -","- C23 H23 Cl F6 N O2 P Ru -","- C184 H184 Cl8 F48 N8 O16 P8 Ru8 -","8","1","","Zuccaccia, Daniele; Bellachioma, Gianfranco; Cardaci, Giuseppe; Zuccaccia, Cristiano; Macchioni, Alceo","Aggregation tendency and reactivity toward AgX of cationic half-sandwich ruthenium(II) complexes bearing neutral N,O-ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1963","1971","10.1039/b514269e","","","0.71073","MoKα","","0.059","0.038","","","0.1005","0.1079","","","","","","0.999","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006808","12.498","0.002","9.869","0.002","30.431","0.002","90","","93.523","0.005","90","","3746.4","1","295","2","295","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","(Ru(h6-cymene)(2-benzoylpyridine)Cl)BPh4","","","- C46 H43 B Cl N O Ru -","- C46 H43 B Cl N O Ru -","- C184 H172 B4 Cl4 N4 O4 Ru4 -","4","1","","Zuccaccia, Daniele; Bellachioma, Gianfranco; Cardaci, Giuseppe; Zuccaccia, Cristiano; Macchioni, Alceo","Aggregation tendency and reactivity toward AgX of cationic half-sandwich ruthenium(II) complexes bearing neutral N,O-ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1963","1971","10.1039/b514269e","","","0.71073","MoKα","","0.0867","0.0467","","","0.081","0.0892","","","","","","1.004","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006809","12.112","0.002","25.875","0.005","7.323","0.0015","90","","101.72","0.03","90","","2247.2","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 F N5 Ni S4 -","- C20 H11 F N5 Ni S4 -","- C80 H44 F4 N20 Ni4 S16 -","4","1","","Ren, X. M.; Nishihara, S.; Akutagawa, T.; Noro, S.; Nakamura, T.; Fujita, W.; Awaga, K.; Ni, Z. P.; Xie, J. L.; Meng, Q. J.; Kremer, R. K.","Quasi-one-dimensional molecular magnets based on derivatives of (fluorobenzyl)pyridinium with the [M(mnt)2] monoanion (M = Ni, Pd or Pt; mnt2- = maleonitriledithiolate): syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1988","1994","10.1039/b514278d","","","0.71073","MoKα","","0.056","0.0353","","","0.0781","0.085","","","","","","1.045","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006810","7.445","0.002","22.234","0.006","13.4","0.005","90","","98.4","0.01","90","","2194.3","1.2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H9 F3 N5 Ni S4 -","- C20 H9 F3 N5 Ni S4 -","- C80 H36 F12 N20 Ni4 S16 -","4","1","","Ren, X. M.; Nishihara, S.; Akutagawa, T.; Noro, S.; Nakamura, T.; Fujita, W.; Awaga, K.; Ni, Z. P.; Xie, J. L.; Meng, Q. J.; Kremer, R. K.","Quasi-one-dimensional molecular magnets based on derivatives of (fluorobenzyl)pyridinium with the [M(mnt)2] monoanion (M = Ni, Pd or Pt; mnt2- = maleonitriledithiolate): syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1988","1994","10.1039/b514278d","","","0.7107","MoKα","","0.0325","0.0288","","","0.0548","0.0556","","","","","","1.061","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006811","7.4749","0.0015","22.786","0.005","13.566","0.003","90","","98.55","0.03","90","","2284.9","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H9 F3 N5 Pd S4 -","- C20 H9 F3 N5 Pd S4 -","- C80 H36 F12 N20 Pd4 S16 -","4","1","","Ren, X. M.; Nishihara, S.; Akutagawa, T.; Noro, S.; Nakamura, T.; Fujita, W.; Awaga, K.; Ni, Z. P.; Xie, J. L.; Meng, Q. J.; Kremer, R. K.","Quasi-one-dimensional molecular magnets based on derivatives of (fluorobenzyl)pyridinium with the [M(mnt)2] monoanion (M = Ni, Pd or Pt; mnt2- = maleonitriledithiolate): syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1988","1994","10.1039/b514278d","","","0.71073","MoKα","","0.0719","0.0525","","","0.1045","0.1125","","","","","","1.092","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006812","7.5498","0.0015","22.745","0.005","13.546","0.003","90","","98.7","0.03","90","","2299.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H9 F3 N5 Pt S4 -","- C20 H9 F3 N5 Pt S4 -","- C80 H36 F12 N20 Pt4 S16 -","4","1","","Ren, X. M.; Nishihara, S.; Akutagawa, T.; Noro, S.; Nakamura, T.; Fujita, W.; Awaga, K.; Ni, Z. P.; Xie, J. L.; Meng, Q. J.; Kremer, R. K.","Quasi-one-dimensional molecular magnets based on derivatives of (fluorobenzyl)pyridinium with the [M(mnt)2] monoanion (M = Ni, Pd or Pt; mnt2- = maleonitriledithiolate): syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1988","1994","10.1039/b514278d","","","0.71073","MoKα","","0.0475","0.0387","","","0.0838","0.0873","","","","","","1.064","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006813","10.9088","0.0018","10.9088","0.0018","22.362","0.005","90","","90","","90","","2661.1","0.9","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C14 H16 Mn N10 O0 S2 -","- C14 H16 Mn N10 S2 -","- C56 H64 Mn4 N40 S8 -","4","0.5","","Li, Mingxue; Sun, Qiaozhen; Bai, Yan; Duan, Chunying; Zhang, Bingguang; Meng, Qingjin","Chiral aggregation and spontaneous resolution of thiosemicarbazone metal complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2572","2578","10.1039/b514425f","","","0.71073","MoKα","","0.0511","0.05","","","0.1614","0.1626","","","","","","1.022","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006814","10.8908","0.0017","10.8908","0.0017","22.327","0.005","90","","90","","90","","2648.2","0.8","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C14 H16 Mn N10 O0 S2 -","- C14 H16 Mn N10 S2 -","- C56 H64 Mn4 N40 S8 -","4","0.5","","Li, Mingxue; Sun, Qiaozhen; Bai, Yan; Duan, Chunying; Zhang, Bingguang; Meng, Qingjin","Chiral aggregation and spontaneous resolution of thiosemicarbazone metal complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2572","2578","10.1039/b514425f","","","0.71073","MoKα","","0.0548","0.052","","","0.1546","0.1569","","","","","","1.049","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006815","10.8203","0.001","10.8203","0.001","22.637","0.003","90","","90","","90","","2650.3","0.5","293","2","293","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C14 H21 B F4 N10 O2 S2 Zn -","- C14 H20.52 B F4 N10 O2.01 S2 Zn -","- C56 H82.08 B4 F16 N40 O8.04 S8 Zn4 -","4","0.5","","Li, Mingxue; Sun, Qiaozhen; Bai, Yan; Duan, Chunying; Zhang, Bingguang; Meng, Qingjin","Chiral aggregation and spontaneous resolution of thiosemicarbazone metal complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2572","2578","10.1039/b514425f","","","0.71073","MoKα","","0.1182","0.0674","","","0.1465","0.1598","","","","","","0.985","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006816","10.84","0.002","10.84","0.002","22.079","0.006","90","","90","","90","","2594.4","1","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C15 H19 N10 O0.5 S2 Zn -","- C15 H19.12 N10 O0.52 S2 Zn -","- C60 H76.48 N40 O2.08 S8 Zn4 -","4","0.5","","Li, Mingxue; Sun, Qiaozhen; Bai, Yan; Duan, Chunying; Zhang, Bingguang; Meng, Qingjin","Chiral aggregation and spontaneous resolution of thiosemicarbazone metal complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2572","2578","10.1039/b514425f","","","0.71073","MoKα","","0.044","0.0418","","","0.1183","0.1196","","","","","","1.055","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006817","10.878","0.0011","10.878","0.0011","22.466","0.003","90","","90","","90","","2658.4","0.5","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C14 H22 Cl2 N10 Ni O10 S2 -","- C14 H21 Cl2 N10 Ni O10 S2 -","- C56 H84 Cl8 N40 Ni4 O40 S8 -","4","0.5","","Li, Mingxue; Sun, Qiaozhen; Bai, Yan; Duan, Chunying; Zhang, Bingguang; Meng, Qingjin","Chiral aggregation and spontaneous resolution of thiosemicarbazone metal complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2572","2578","10.1039/b514425f","","","0.71073","MoKα","","0.0777","0.0616","","","0.1499","0.1581","","","","","","1.011","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006818","10.803","0.002","10.815","0.002","23.309","0.005","90","","90","","90","","2723.3","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 Cd Cl2 N10 O10 S2 -","- C14 H22 Cd Cl2 N10 O10 S2 -","- C56 H88 Cd4 Cl8 N40 O40 S8 -","4","1","","Li, Mingxue; Sun, Qiaozhen; Bai, Yan; Duan, Chunying; Zhang, Bingguang; Meng, Qingjin","Chiral aggregation and spontaneous resolution of thiosemicarbazone metal complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2572","2578","10.1039/b514425f","","","0.71073","MoKα","","0.0592","0.0521","","","0.1212","0.1247","","","","","","1.044","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006819","22.782","0.005","9.3699","0.0019","19.862","0.004","90","","121.91","0.03","90","","3599.1","1.7","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl2 Cu F4 N12 O4 -","- C28 H32 Cl2 Cu F4 N12 O4 -","- C112 H128 Cl8 Cu4 F16 N48 O16 -","4","0.5","","Han, Huayun; Song, Yinglin; Hou, Hongwei; Fan, Yaoting; Zhu, Yu","A series of metal-organic polymers assembled from MCl2 (M = Zn, Cd, Co, Cu): structures, third-order nonlinear optical and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1972","1980","10.1039/b514431k","","","0.71073","MoKα","","0.098","0.0519","","","0.1117","0.1204","","","","","","1.009","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006820","8.1532","0.0016","10.396","0.002","12.492","0.003","99.87","0.03","106.06","0.03","107.33","0.03","933.4","0.5","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H16 Cl2 F2 N6 O2 Zn -","- C14 H16 Cl2 F2 N6 O2 Zn -","- C28 H32 Cl4 F4 N12 O4 Zn2 -","2","1","","Han, Huayun; Song, Yinglin; Hou, Hongwei; Fan, Yaoting; Zhu, Yu","A series of metal-organic polymers assembled from MCl2 (M = Zn, Cd, Co, Cu): structures, third-order nonlinear optical and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1972","1980","10.1039/b514431k","","","0.71073","MoKα","","0.0653","0.0534","","","0.1394","0.1447","","","","","","1.056","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006821","24.017","0.005","9.5929","0.0019","20.662","0.004","90","","124.65","0.03","90","","3916","2","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H32 Cd Cl2 F4 N12 O5 -","- C27 H28 Cd Cl2 F4 N12 O5 -","- C108 H112 Cd4 Cl8 F16 N48 O20 -","4","0.5","","Han, Huayun; Song, Yinglin; Hou, Hongwei; Fan, Yaoting; Zhu, Yu","A series of metal-organic polymers assembled from MCl2 (M = Zn, Cd, Co, Cu): structures, third-order nonlinear optical and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1972","1980","10.1039/b514431k","","","0.71073","MoKα","","0.088","0.052","","","0.1377","0.1473","","","","","","1.032","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006822","22.876","0.005","9.3066","0.0019","20.258","0.004","90","","122.26","0.03","90","","3647.1","1.8","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl2 Co F4 N12 O4 -","- C28 H32 Cl2 Co F4 N12 O4 -","- C112 H128 Cl8 Co4 F16 N48 O16 -","4","0.5","","Han, Huayun; Song, Yinglin; Hou, Hongwei; Fan, Yaoting; Zhu, Yu","A series of metal-organic polymers assembled from MCl2 (M = Zn, Cd, Co, Cu): structures, third-order nonlinear optical and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1972","1980","10.1039/b514431k","","","0.71073","MoKα","","0.0959","0.0544","","","0.1306","0.1428","","","","","","1.003","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006823","17.8522","0.0004","23.0986","0.0005","37.9215","0.0009","90","","99.417","0.002","90","","15426.6","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C165 H149 Li N12 O10 P6 S12 Ti2 -","- C165 H147 Li N12 O10 P6 S12 Ti2 -","- C660 H588 Li4 N48 O40 P24 S48 Ti8 -","4","1","","Hahn, F. Ekkehardt; Kreickmann, Thorsten; Pape, Tania","A dinuclear triple-stranded helicate with a bis(benzene-o-dithiolato) ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","6","769","771","10.1039/b514442f","","","1.54184","CuKα","","0.0786","0.0522","","","0.133","0.1427","","","","","","0.938","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006824","13.12","0.0002","13.6353","0.0003","23.2134","0.0004","90","","90","","90","","4152.76","0.13","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H52 N6 Yb2 -","- C46 H52 N6 Yb2 -","- C184 H208 N24 Yb8 -","4","1","","Layfield, Richard A.; Bashall, Alan; McPartlin, Mary; Rawson, Jeremy M.; Wright, Dominic S.","A structural and magnetic study of organolanthanide(III) amides.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1660","1666","10.1039/b514470a","","","0.71069","MoKα","","0.0445","0.0416","","","0.1045","0.1062","","","","","","1.051","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006825","12.0619","0.0002","16.6647","0.0003","16.0128","0.0003","90","","108.596","0.001","90","","3050.65","0.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Gd2 N6 -","- C32 H36 Gd2 N6 -","- C128 H144 Gd8 N24 -","4","1","","Layfield, Richard A.; Bashall, Alan; McPartlin, Mary; Rawson, Jeremy M.; Wright, Dominic S.","A structural and magnetic study of organolanthanide(III) amides.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1660","1666","10.1039/b514470a","","","0.71069","MoKα","","0.0339","0.0264","","","0.0601","0.0633","","","","","","1.052","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006826","12.155","0.003","16.87","0.005","16.225","0.003","90","","108.3","0.02","90","","3158.8","1.4","223","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N6 Nd2 -","- C32 H36 N6 Nd2 -","- C128 H144 N24 Nd8 -","4","1","","Layfield, Richard A.; Bashall, Alan; McPartlin, Mary; Rawson, Jeremy M.; Wright, Dominic S.","A structural and magnetic study of organolanthanide(III) amides.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1660","1666","10.1039/b514470a","","","0.71073","MoKα","","0.0443","0.0298","","","0.0582","0.0665","","","","","","1.067","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006827","13.274","0.002","13.766","0.002","23.426","0.007","90","","90","","90","","4280.6","1.6","223","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H52 Dy2 N6 -","- C46 H52 Dy2 N6 -","- C184 H208 Dy8 N24 -","4","1","","Layfield, Richard A.; Bashall, Alan; McPartlin, Mary; Rawson, Jeremy M.; Wright, Dominic S.","A structural and magnetic study of organolanthanide(III) amides.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1660","1666","10.1039/b514470a","","","0.71073","MoKα","","0.039","0.0352","","","0.0902","0.0943","","","","","","0.931","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006828","11.383","0.005","17.295","0.008","18.602","0.007","90","","90","","90","","3662","3","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H41 N6 O3 Yb3 -","- C37 H41 N6 O3 Yb3 -","- C148 H164 N24 O12 Yb12 -","4","1","","Layfield, Richard A.; Bashall, Alan; McPartlin, Mary; Rawson, Jeremy M.; Wright, Dominic S.","A structural and magnetic study of organolanthanide(III) amides.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1660","1666","10.1039/b514470a","","","0.71073","MoKα","","0.0996","0.0734","","","0.1761","0.1908","","","","","","1.014","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006829","12.316","0.0019","12.5698","0.0009","17.359","0.002","105.29","0.015","104.369","0.014","104.954","0.017","2355.9","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H45 Cl3 N6 O2 P Pd Rh -","- C49 H45 Cl3 N6 O2 P Pd Rh -","- C98 H90 Cl6 N12 O4 P2 Pd2 Rh2 -","2","1","","Adams, Christopher J.; Baber, R. Angharad; Connelly, Neil G.; Harding, Phimphaka; Hayward, Owen D.; Kandiah, Mathivathani; Orpen, A. Guy","Triazenide-bridged rhodium-palladium complexes: [I2Rh(mu-p-MeC6H4NNNC6H4Me-p)2Pd(eta(3)-C3H5)]-, a stable paramagnetic [RhPd]4+ species with a localised Rh(II) centre.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1749","1757","10.1039/b514513a","","","0.71073","MoKα","","0.056","0.0344","","","0.0786","0.0854","","","","","","1.014","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006830","17.962","0.003","8.9123","0.001","26.282","0.006","90","","129.608","0.013","90","","3241.4","1.2","193","2","193","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C33 H33 N6 O2 Pd Rh -","- C33 H33 N6 O2 Pd Rh -","- C132 H132 N24 O8 Pd4 Rh4 -","4","1","","Adams, Christopher J.; Baber, R. Angharad; Connelly, Neil G.; Harding, Phimphaka; Hayward, Owen D.; Kandiah, Mathivathani; Orpen, A. Guy","Triazenide-bridged rhodium-palladium complexes: [I2Rh(mu-p-MeC6H4NNNC6H4Me-p)2Pd(eta(3)-C3H5)]-, a stable paramagnetic [RhPd]4+ species with a localised Rh(II) centre.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1749","1757","10.1039/b514513a","","","0.71073","MoKα","","0.035","0.0321","","","0.085","0.0872","","","","","","1.08","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006831","16.0351","0.0015","16.053","0.0016","20.138","0.002","90","","97.057","0.002","90","","5144.5","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47.19 H69.37 Cl0.37 I2 N7 Pd Rh -","- C47.182 H69.364 Cl0.364 I2 N7 Pd Rh -","- C188.728 H277.456 Cl1.456 I8 N28 Pd4 Rh4 -","4","1","","Adams, Christopher J.; Baber, R. Angharad; Connelly, Neil G.; Harding, Phimphaka; Hayward, Owen D.; Kandiah, Mathivathani; Orpen, A. Guy","Triazenide-bridged rhodium-palladium complexes: [I2Rh(mu-p-MeC6H4NNNC6H4Me-p)2Pd(eta(3)-C3H5)]-, a stable paramagnetic [RhPd]4+ species with a localised Rh(II) centre.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1749","1757","10.1039/b514513a","","","0.71073","MoKα","","0.1742","0.0666","","","0.1542","0.1927","","","","","","1.009","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006832","12.316","0.0019","12.5698","0.0009","17.359","0.002","105.29","0.015","104.369","0.014","104.954","0.017","2355.9","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H45 Cl3 N6 O2 P Pd Rh -","- C49 H45 Cl3 N6 O2 P Pd Rh -","- C98 H90 Cl6 N12 O4 P2 Pd2 Rh2 -","2","1","","Adams, Christopher J.; Baber, R. Angharad; Connelly, Neil G.; Harding, Phimphaka; Hayward, Owen D.; Kandiah, Mathivathani; Orpen, A. Guy","Triazenide-bridged rhodium-palladium complexes: [I2Rh(mu-p-MeC6H4NNNC6H4Me-p)2Pd(eta(3)-C3H5)]-, a stable paramagnetic [RhPd]4+ species with a localised Rh(II) centre.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1749","1757","10.1039/b514513a","","","0.71073","MoKα","","0.056","0.0344","","","0.0786","0.0854","","","","","","1.013","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006833","7.7059","0.0007","8.6082","0.0008","20.7908","0.0019","88.035","0.002","86.732","0.002","65.656","0.002","1254.4","0.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H34 Cu4 N14 O -","- C14 H34 Cu4 N14 O -","- C28 H68 Cu8 N28 O2 -","2","1","","Weiss, Rainer; Jansen, Georg; Boese, Roland; Epple, Matthias","Crystal structure and thermochemical reactivity of an unusual copper complex that contains copper in four different coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1831","1835","10.1039/b514540f","","","0.71073","MoKα","","0.05","0.0321","","","0.0736","0.0808","","","","","","0.997","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006834","14.513","0.007","14.781","0.009","18.381","0.009","93.43","0.04","106.93","0.03","100.09","0.04","3688","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C81.5 H103.5 Mg2 N4 -","- C74 H86 Mg2 N4 -","- C148 H172 Mg4 N8 -","2","1","","Bailey, Philip J.; Dick, Caroline M.; Fabre, Sylvie; Parsons, Simon; Yellowlees, Lesley J.","Complexation of dimethylmagnesium with alpha-diimines; structural and EPR characterisation of single electron and alkyl transfer products.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1602","1610","10.1039/b514591k","","","1.54178","CuKα","","0.1569","0.097","","","0.2458","0.2867","","","","","","0.962","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7006835","22.475","0.003","18.271","0.003","24.304","0.003","90","","90","","90","","9980","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58.5 H76 Mg N2 O3 -","- C58.5 H72 Mg N2 O3 -","- C468 H576 Mg8 N16 O24 -","8","1","","Bailey, Philip J.; Dick, Caroline M.; Fabre, Sylvie; Parsons, Simon; Yellowlees, Lesley J.","Complexation of dimethylmagnesium with alpha-diimines; structural and EPR characterisation of single electron and alkyl transfer products.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1602","1610","10.1039/b514591k","","","0.71073","MoKα","","0.1386","0.0639","","","0.1362","0.1615","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006836","18.459","0.003","18.337","0.003","12.19","0.002","90","","126.851","0.002","90","","3301.7","0.9","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C71 H108 Mg2 N4 O -","- C60 H92 Mg2 N4 -","- C120 H184 Mg4 N8 -","2","0.25","","Bailey, Philip J.; Dick, Caroline M.; Fabre, Sylvie; Parsons, Simon; Yellowlees, Lesley J.","Complexation of dimethylmagnesium with alpha-diimines; structural and EPR characterisation of single electron and alkyl transfer products.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1602","1610","10.1039/b514591k","","","0.71073","MoKα","","0.0679","0.0526","","","0.1409","0.1454","","","","","","0.858","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006837","8.8159","0.0018","21.777","0.005","22.26","0.005","90","","90","","90","","4273.6","1.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Bis(3-(pyrid-2-yl)-5-aminopyrazole)bromocopper(ii) bromide methanol solvate","Bis[3-(pyrid-2-yl)-5-aminopyrazole]bromocopper(II) bromide methanol solvate","","- C17 H20 Br2 Cu N8 O -","- C17 H20 Br2 Cu N8 O -","- C136 H160 Br16 Cu8 N64 O8 -","8","1","","Pask, Christopher M.; Camm, Kenneth D.; Bullen, Neil J.; Carr, Michael J.; Clegg, William; Kilner, Colin A.; Halcrow, Malcolm A.","Two complexes of copper(II) salts with 5-amino-3-(pyrid-2-yl)-1H-pyrazole, the prototype for a new class of ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","5","662","664","10.1039/b514634h","","","0.71073","MoKα","","0.0945","0.0566","","","0.1379","0.1696","","","","","","1.042","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006838","10.1984","0.0011","12.8621","0.0014","17.3027","0.0019","90","","102.705","0.001","90","","2214.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(5-amino-3-(pyrid-2-yl)pyrazole)aquacopper(ii) sulfate monohydrate mono-methanol solvate","Bis[5-amino-3-(pyrid-2-yl)pyrazole]aquacopper(II) sulfate monohydrate mono-methanol solvate","","- C17 H24 Cu N8 O7 S -","- C17 H24 Cu N8 O7 S -","- C68 H96 Cu4 N32 O28 S4 -","4","1","","Pask, Christopher M.; Camm, Kenneth D.; Bullen, Neil J.; Carr, Michael J.; Clegg, William; Kilner, Colin A.; Halcrow, Malcolm A.","Two complexes of copper(II) salts with 5-amino-3-(pyrid-2-yl)-1H-pyrazole, the prototype for a new class of ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","5","662","664","10.1039/b514634h","","","0.6814","synchrotron","","0.072","0.0417","","","0.0889","0.101","","","","","","0.998","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006839","18.794","0.0004","18.5198","0.0004","20.7545","0.0005","90","","90","","90","","7223.8","0.3","223","2","223","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","(K(dme)4)((Si(NEt)2C6H4)4).(dme)","","","- C60 H106 K N8 O10 Si4 -","- C60 H106 K N8 O10 Si4 -","- C240 H424 K4 N32 O40 Si16 -","4","1","","Gehrhus, Barbara; Hitchcock, Peter B.; Pongtavornpinyo, Ruti; Zhang, Lihong","Insights into the making of a stable silylene.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1847","1857","10.1039/b514666f","","x-ray","0.71073","MoKα","","0.0814","0.0567","","","0.1093","0.1191","","","","","","1.065","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006840","22.8047","0.0008","22.8049","0.0008","40.898","0.0018","90","","90","","90","","21269.4","1.4","173","2","173","2","","","","","","","synthesis as described","6","P 43 21 2","P 4nw 2abw","96","","","","- C96 H152 K2 N8 O10 Si4 -","- C101.4 H136 K2 N8 O6 Si4 -","- C811.2 H1088 K16 N64 O48 Si32 -","8","1","","Gehrhus, Barbara; Hitchcock, Peter B.; Pongtavornpinyo, Ruti; Zhang, Lihong","Insights into the making of a stable silylene.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1847","1857","10.1039/b514666f","","x-ray","0.71073","MoKα","","0.1582","0.1224","","","0.3237","0.3508","","","","","","1.264","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006841","15.0808","0.0002","20.3241","0.0002","20.7401","0.0002","90","","90","","90","","6356.92","0.12","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","((K(thf)3Si(NCH2tBu)2C6H4)2)","","","- C56 H100 K2 N4 O6 Si2 -","- C56.002 H100.004 K2 N4 O6 Si2 -","- C224.008 H400.016 K8 N16 O24 Si8 -","4","1","","Gehrhus, Barbara; Hitchcock, Peter B.; Pongtavornpinyo, Ruti; Zhang, Lihong","Insights into the making of a stable silylene.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1847","1857","10.1039/b514666f","","x-ray","0.71073","MoKα","","0.0634","0.0503","","","0.1248","0.1342","","","","","","1.047","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006842","15.0722","0.0001","15.0722","0.0001","25.4341","0.0003","90","","90","","120","","5003.8","0.08","173","2","173","2","","","","","","","synthesis as described","6","P 63/m","-P 6c","176","(Na(thf)6)(Na(thf)5)((Si(NCH2tBu)2C6H4)3)","","","- C92 H166 N6 Na2 O11 Si3 -","- C92.04 H138 N6 Na2 O11 Si3 -","- C184.08 H276 N12 Na4 O22 Si6 -","2","0.166667","","Gehrhus, Barbara; Hitchcock, Peter B.; Pongtavornpinyo, Ruti; Zhang, Lihong","Insights into the making of a stable silylene.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1847","1857","10.1039/b514666f","","x-ray","0.7107","MoKα","","0.076","0.0671","","","0.1858","0.1932","","","","","","1.085","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006843","14.3212","0.0002","15.2868","0.0002","28.9584","0.0004","85.999","0.001","79.241","0.001","89.254","0.001","6213.1","0.15","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C116 H208 N8 Na2 O13 Si4 -","- C116 H208 N8 Na2 O13 Si4 -","- C232 H416 N16 Na4 O26 Si8 -","2","1","","Gehrhus, Barbara; Hitchcock, Peter B.; Pongtavornpinyo, Ruti; Zhang, Lihong","Insights into the making of a stable silylene.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1847","1857","10.1039/b514666f","","x-ray","0.71073","MoKα","","0.1318","0.1056","","","0.2858","0.3128","","","","","","0.972","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006844","22.8776","0.0007","15.9344","0.0006","33.8306","0.0011","90","","101.086","0.002","90","","12102.5","0.7","173","2","173","2","","","","","","","synthesis as described","6","C 1 2/m 1","-C 2y","12","","","","- C224 H392 K6 N24 O8 Si12 -","- C224 H382 K6 N24 O8 Si12 -","- C448 H764 K12 N48 O16 Si24 -","2","0.25","","Gehrhus, Barbara; Hitchcock, Peter B.; Pongtavornpinyo, Ruti; Zhang, Lihong","Insights into the making of a stable silylene.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1847","1857","10.1039/b514666f","","x-ray","0.7107","MoKα","","0.1807","0.1132","","","0.2164","0.2495","","","","","","1.056","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006845","11.0126","0.0002","10.7343","0.0002","17.9366","0.0004","90","","93.993","0.001","90","","2115.18","0.07","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H70 N4 Si4 -","- C38 H70 N4 Si4 -","- C76 H140 N8 Si8 -","2","0.5","","Gehrhus, Barbara; Hitchcock, Peter B.; Pongtavornpinyo, Ruti; Zhang, Lihong","Insights into the making of a stable silylene.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1847","1857","10.1039/b514666f","","x-ray","0.71073","MoKα","","0.0522","0.0436","","","0.1189","0.1249","","","","","","1.058","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006846","14.1952","0.0014","20.166","0.003","12.5955","0.0014","90","","97.602","0.006","90","","3573.9","0.8","173","2","173","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","((C6H4(NCH2tBu)2Si(Cl))2)","","","- C32 H52 Cl2 N4 Si2 -","- C32 H52 Cl2 N4 Si2 -","- C128 H208 Cl8 N16 Si8 -","4","0.5","","Gehrhus, Barbara; Hitchcock, Peter B.; Pongtavornpinyo, Ruti; Zhang, Lihong","Insights into the making of a stable silylene.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1847","1857","10.1039/b514666f","","x-ray","0.71073","MoKα","","0.0831","0.05","","","0.0996","0.1113","","","","","","1.015","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006847","16.753","0.014","11.156","0.009","11.221","0.009","90","","100.55","0.011","90","","2062","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H28 Ag Cl N4 O7 Pt -","- C10 H28 Ag Cl N4 O7 Pt -","- C40 H112 Ag4 Cl4 N16 O28 Pt4 -","4","1","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and structural characterization of one- and two-dimensional coordination polymers based on platinum-silver metallic backbones.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3015","3024","10.1039/b514757c","","","0.71073","MoKα","","0.1024","0.087","","","0.247","0.2613","","","","","","1.08","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006848","24.233","0.004","11.138","0.0019","15.983","0.003","90","","94.223","0.003","90","","4302.2","1.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H60 Ag2 N8 O10 Pt2 -","- C28 H56 Ag2 N8 O10 Pt2 -","- C112 H224 Ag8 N32 O40 Pt8 -","4","1","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and structural characterization of one- and two-dimensional coordination polymers based on platinum-silver metallic backbones.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3015","3024","10.1039/b514757c","","","0.71073","MoKα","","0.1036","0.0738","","","0.1677","0.1813","","","","","","1.184","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006849","20.868","0.003","11.2548","0.0013","19.991","0.002","90","","98.217","0.002","90","","4647","1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H66 Ag2 N8 O11 Pt2 -","- C32 H59 Ag2 N8 O11 Pt2 -","- C128 H236 Ag8 N32 O44 Pt8 -","4","1","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and structural characterization of one- and two-dimensional coordination polymers based on platinum-silver metallic backbones.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3015","3024","10.1039/b514757c","","","0.71073","MoKα","","0.0473","0.0403","","","0.1067","0.1134","","","","","","1.024","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006850","31.263","0.007","11.318","0.002","20.495","0.004","90","","99.676","0.004","90","","7149","2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H114 Ag3 N12 O19 Pt3 -","- C48 H90 Ag3 N12 O19 Pt3 -","- C192 H360 Ag12 N48 O76 Pt12 -","4","1","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and structural characterization of one- and two-dimensional coordination polymers based on platinum-silver metallic backbones.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3015","3024","10.1039/b514757c","","","0.71073","MoKα","","0.0531","0.0431","","","0.1069","0.1117","","","","","","1.051","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006851","11.868","0.002","23.175","0.004","11.228","0.002","90","","90","","90","","3088.2","0.9","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H50 Ag N5 O14 Pt -","- C16 H50 Ag N5 O14 Pt -","- C64 H200 Ag4 N20 O56 Pt4 -","4","0.5","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and structural characterization of one- and two-dimensional coordination polymers based on platinum-silver metallic backbones.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3015","3024","10.1039/b514757c","","","0.71073","MoKα","","0.0162","0.0146","","","0.0355","0.0361","","","","","","1.068","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006852","11.2677","0.0017","19.592","0.003","19.601","0.003","90","","90","","90","","4327.1","1.1","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H60 Ag2 Cl N9 O10 Pt2 -","- C30 H60 Ag2 Cl N9 O10 Pt2 -","- C120 H240 Ag8 Cl4 N36 O40 Pt8 -","4","1","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and structural characterization of one- and two-dimensional coordination polymers based on platinum-silver metallic backbones.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3015","3024","10.1039/b514757c","","","0.71073","MoKα","","0.0249","0.0202","","","0.0434","0.0449","","","","","","0.816","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006853","11.099","0.006","11.343","0.006","17.752","0.01","96.903","0.006","90.673","0.008","91.118","0.007","2218","2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H60 Ag2 Cl N9 O11 Pt2 -","- C26 H60 Ag2 Cl N9 O11 Pt2 -","- C52 H120 Ag4 Cl2 N18 O22 Pt4 -","2","1","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and structural characterization of one- and two-dimensional coordination polymers based on platinum-silver metallic backbones.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3015","3024","10.1039/b514757c","","","0.71073","MoKα","","0.0723","0.0539","","","0.147","0.1578","","","","","","1.031","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006854","11.4712","0.0019","16.585","0.003","17.909","0.003","90","","111.516","0.009","90","","3169.8","1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cl2 N P2 Pt S -","- C33 H31 Cl2 N P2 Pt S -","- C132 H124 Cl8 N4 P8 Pt4 S4 -","4","1","","Gallo, Vito; Mastrorilli, Piero; Nobile, Cosimo F.; Braunstein, Pierre; Englert, Ulli","Chelating versus bridging bonding modes of N-substituted bis(diphenylphosphanyl)amine ligands in Pt complexes and Co2Pt clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2342","2349","10.1039/b514787e","","","0.71073","MoKα","","0.037","0.0289","","","0.064","0.0668","","","","","","1.02","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006855","20.0857","0.0019","19.929","0.002","19.961","0.0019","90","","90","","90","","7990.1","1.3","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","compound 9b","","","- C40 H31 Co2 N O7 P2 Pt S -","- C40 H31 Co2 N O7 P2 Pt S -","- C320 H248 Co16 N8 O56 P16 Pt8 S8 -","8","1","","Gallo, Vito; Mastrorilli, Piero; Nobile, Cosimo F.; Braunstein, Pierre; Englert, Ulli","Chelating versus bridging bonding modes of N-substituted bis(diphenylphosphanyl)amine ligands in Pt complexes and Co2Pt clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2342","2349","10.1039/b514787e","","","0.71073","MoKα","","0.0525","0.0344","","","0.0723","0.079","","","","","","1.013","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006856","8.2935","0.0015","12.797","0.002","19.913","0.003","82.984","0.003","83.66","0.003","83.647","0.003","2074.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H12 Ag3 F27 N2 O6 -","- C34 H12 Ag3 F27 N2 O6 -","- C68 H24 Ag6 F54 N4 O12 -","2","1","","Ionkin, Alex S.; Marshall, William J.; Roe, D. Christopher; Wang, Ying","Synthesis, structural characterization and the first electroluminescent properties of tris- and bis-cycloiridiated complexes of sterically hindered electron-poor 2-(3,5-bis(trifluoromethyl)phenyl)-4-trifluoromethylpyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2468","2478","10.1039/b514797b","","","0.71073","MoKα","","0.0336","0.0282","","","0.0696","0.0732","","","","","","1.041","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7006857","12.922","0.0013","15.936","0.0016","17.7587","0.0018","67.8845","0.0017","72.2741","0.0017","69.862","0.002","3115.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H31 F36 Ir N4 -","- C61 H31 F36 Ir N4 -","- C122 H62 F72 Ir2 N8 -","2","1","","Ionkin, Alex S.; Marshall, William J.; Roe, D. Christopher; Wang, Ying","Synthesis, structural characterization and the first electroluminescent properties of tris- and bis-cycloiridiated complexes of sterically hindered electron-poor 2-(3,5-bis(trifluoromethyl)phenyl)-4-trifluoromethylpyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2468","2478","10.1039/b514797b","","","0.71073","MoKα","","0.0478","0.0378","","","0.0939","0.101","","","","","","1.041","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7006858","10.4708","0.0012","11.8225","0.0014","12.6383","0.0015","104.597","0.002","105.654","0.002","105.656","0.002","1358.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H10 F18 N2 -","- C28 H10 F18 N2 -","- C56 H20 F36 N4 -","2","1","","Ionkin, Alex S.; Marshall, William J.; Roe, D. Christopher; Wang, Ying","Synthesis, structural characterization and the first electroluminescent properties of tris- and bis-cycloiridiated complexes of sterically hindered electron-poor 2-(3,5-bis(trifluoromethyl)phenyl)-4-trifluoromethylpyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2468","2478","10.1039/b514797b","","","0.71073","MoKα","","0.0647","0.0496","","","0.1313","0.1459","","","","","","1.048","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7006859","41.862","0.004","9.2252","0.0009","22.004","0.002","90","","99.278","0.0018","90","","8386.5","1.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H15 F27 Ir N3 -","- C42 H15 F27 Ir N3 -","- C336 H120 F216 Ir8 N24 -","8","2","","Ionkin, Alex S.; Marshall, William J.; Roe, D. Christopher; Wang, Ying","Synthesis, structural characterization and the first electroluminescent properties of tris- and bis-cycloiridiated complexes of sterically hindered electron-poor 2-(3,5-bis(trifluoromethyl)phenyl)-4-trifluoromethylpyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2468","2478","10.1039/b514797b","","","0.71069","MoKα","","0.037","0.0315","","","0.0723","0.0753","","","","","","1.026","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7006860","20.852","0.004","16.227","0.003","24.092","0.004","90","","90","","90","","8152","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H29 F18 Ir N2 O2 -","- C39 H29 F18 Ir N2 O2 -","- C312 H232 F144 Ir8 N16 O16 -","8","1","","Ionkin, Alex S.; Marshall, William J.; Roe, D. Christopher; Wang, Ying","Synthesis, structural characterization and the first electroluminescent properties of tris- and bis-cycloiridiated complexes of sterically hindered electron-poor 2-(3,5-bis(trifluoromethyl)phenyl)-4-trifluoromethylpyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2468","2478","10.1039/b514797b","","","0.71069","MoKα","","0.0808","0.0414","","","0.0917","0.1101","","","","","","1.01","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006861","10.923","0.006","14.898","0.008","15.863","0.008","64.147","0.008","85.432","0.009","85.384","0.009","2313","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 F18 Ir N2 O12 P3 -","- C34 H30 F18 Ir N2 O12 P3 -","- C68 H60 F36 Ir2 N4 O24 P6 -","2","1","","Ionkin, Alex S.; Marshall, William J.; Roe, D. Christopher; Wang, Ying","Synthesis, structural characterization and the first electroluminescent properties of tris- and bis-cycloiridiated complexes of sterically hindered electron-poor 2-(3,5-bis(trifluoromethyl)phenyl)-4-trifluoromethylpyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2468","2478","10.1039/b514797b","","","0.71073","MoKα","","0.118","0.058","","","0.1288","0.1609","","","","","","1.021","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006862","8.982","0.002","20.696","0.003","16.862","0.003","90","","101.65","0.02","90","","3069.9","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 Cl Mo N3 S Si -","- C29 H40 Cl Mo N3 S Si -","- C116 H160 Cl4 Mo4 N12 S4 Si4 -","4","1","","Lyashenko, Ganna; Jancik, Vojtech; Pal, Aritra; Herbst-Irmer, Regine; Mösch-Zanetti, Nadia C","Dioxomolybdenum(VI) and dioxotungsten(VI) complexes supported by an amido ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1294","1301","10.1039/b514873a","","","1.54178","CuKα","","0.028","0.0276","","","0.0729","0.0733","","","","","","1.106","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006863","9.61","0.002","12.01","0.002","13.775","0.003","85.31","0.03","82.58","0.03","88.53","0.03","1571.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H44 N2 O2 S2 Si2 W -","- C26 H44 N2 O2 S2 Si2 W -","- C52 H88 N4 O4 S4 Si4 W2 -","2","1","","Lyashenko, Ganna; Jancik, Vojtech; Pal, Aritra; Herbst-Irmer, Regine; Mösch-Zanetti, Nadia C","Dioxomolybdenum(VI) and dioxotungsten(VI) complexes supported by an amido ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1294","1301","10.1039/b514873a","","","1.54178","CuKα","","0.0168","0.016","","","0.0396","0.04","","","","","","1.035","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006864","11.834","0.002","12.365","0.003","15.082","0.003","78.65","0.03","76.75","0.03","76.53","0.03","2065","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H57 Mo N3 O S3 Si2 -","- C36 H57 Mo N3 O S3 Si2 -","- C72 H114 Mo2 N6 O2 S6 Si4 -","2","1","","Lyashenko, Ganna; Jancik, Vojtech; Pal, Aritra; Herbst-Irmer, Regine; Mösch-Zanetti, Nadia C","Dioxomolybdenum(VI) and dioxotungsten(VI) complexes supported by an amido ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1294","1301","10.1039/b514873a","","","1.54178","CuKα","","0.022","0.0201","","","0.0513","0.0525","","","","","","1.053","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006865","9.622","0.003","12.052","0.003","13.693","0.004","85.06","0.01","82.8","0.01","88.44","0.03","1569.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H44 Mo N2 O2 S2 Si2 -","- C26 H44 Mo N2 O2 S2 Si2 -","- C52 H88 Mo2 N4 O4 S4 Si4 -","2","1","","Lyashenko, Ganna; Jancik, Vojtech; Pal, Aritra; Herbst-Irmer, Regine; Mösch-Zanetti, Nadia C","Dioxomolybdenum(VI) and dioxotungsten(VI) complexes supported by an amido ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1294","1301","10.1039/b514873a","","","1.54178","CuKα","","0.0351","0.0259","","","0.0613","0.0651","","","","","","1.02","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006866","20.264","0.0002","13.0854","0.0002","25.3366","0.0002","90","","93.9521","0.0005","90","","6702.34","0.13","150","","150","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H26 B2 Co F36 O4 P2 -","- C72 H26 B2 Co F36 O4 P2 -","- C288 H104 B8 Co4 F144 O16 P8 -","4","1","","Llewellyn, Simon A.; Green, Malcolm L. H.; Cowley, Andrew R.","B(C6F5)3 adducts of transition metal acyl compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1776","1783","10.1039/b514889h","","","0.71073","MoKα","","0.08","0.0502","","0.0702","0.0597","0.0597","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006867","12.5164","0.0003","17.0794","0.0005","18.0656","0.0004","90","","99.4628","0.0011","90","","3809.38","0.17","150","","150","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H18 B Co F15 O4 P -","- C41 H18 B Co F15 O4 P -","- C164 H72 B4 Co4 F60 O16 P4 -","4","1","","Llewellyn, Simon A.; Green, Malcolm L. H.; Cowley, Andrew R.","B(C6F5)3 adducts of transition metal acyl compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1776","1783","10.1039/b514889h","","","0.71073","MoKα","","","0.039","","","","0.048","","","","","","1.0261","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006868","14.733","0.006","16.032","0.007","17.135","0.007","90","","96.697","0.007","90","","4020","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(La(tpen)(Otf)3).CH3CN","","","- C31 H31 F9 La N7 O9 S3 -","- C31 H31 F9 La N7 O9 S3 -","- C124 H124 F36 La4 N28 O36 S12 -","4","1","","Natrajan, Louise; Pécaut, Jacques; Mazzanti, Marinella","Fixation of atmospheric CO2 by a dimeric lanthanum hydroxide complex; assembly of an unusual hexameric carbonate.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1002","1005","10.1039/b514910j","","","0.71073","MoKα","","0.0421","0.0378","","","0.0958","0.1009","","","","","","1.075","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006869","14.056","0.003","15.309","0.003","18.514","0.004","78.59","0.03","84.49","0.03","81.36","0.03","3851.8","1.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","(La(tpen)(OH))2(Otf)4.3CH3CN","","","- C62 H67 F12 La2 N15 O14 S4 -","- C62 H67 F12 La2 N15 O14 S4 -","- C124 H134 F24 La4 N30 O28 S8 -","2","1","","Natrajan, Louise; Pécaut, Jacques; Mazzanti, Marinella","Fixation of atmospheric CO2 by a dimeric lanthanum hydroxide complex; assembly of an unusual hexameric carbonate.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1002","1005","10.1039/b514910j","","","0.71073","MoKα","","0.0405","0.0298","","","0.071","0.0761","","","","","","1.016","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006870","15.965","0.003","16.947","0.003","18.924","0.004","100.72","0.03","105.91","0.03","118.09","0.03","4033","3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","(La6(tpen)4(CO3)6(OTF)6)8CH3CN.2H20","","","- C132 H140 F18 La6 N32 O38 S6 -","- C132 H140 F18 La6 N32 O38 S6 -","- C132 H140 F18 La6 N32 O38 S6 -","1","0.5","","Natrajan, Louise; Pécaut, Jacques; Mazzanti, Marinella","Fixation of atmospheric CO2 by a dimeric lanthanum hydroxide complex; assembly of an unusual hexameric carbonate.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1002","1005","10.1039/b514910j","","","0.71073","MoKα","","0.0571","0.0381","","","0.0806","0.0866","","","","","","0.987","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006871","10.72","0.0003","16.298","0.0005","21.592","0.0005","90","","93.226","0.0016","90","","3766.46","0.18","95","2","95","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H63 B3 N6 -","- C36 H63 B3 N6 -","- C144 H252 B12 N24 -","4","1","","Weber, Lothar; Domke, Imme; Schmidt, Christian; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate","Syntheses, structures, luminescence and electrochemistry of benzene- and biphenyl-centered bis- and tris-1,3,2-diazaboroles and -1,3,2-diazaborolidines.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2127","2132","10.1039/b514920g","","","0.71073","MoKα","","0.1212","0.0534","","","0.106","0.1256","","","","","","0.972","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006872","10.559","0.0003","26.715","0.001","10.735","0.0004","90","","114.708","0.0019","90","","2750.94","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 B2 N4 -","- C26 H48 B2 N4 -","- C104 H192 B8 N16 -","4","1","","Weber, Lothar; Domke, Imme; Schmidt, Christian; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate","Syntheses, structures, luminescence and electrochemistry of benzene- and biphenyl-centered bis- and tris-1,3,2-diazaboroles and -1,3,2-diazaborolidines.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2127","2132","10.1039/b514920g","","","0.71073","MoKα","","0.1036","0.0531","","","0.1249","0.1437","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006873","15.307","0.0003","6.96","0.0002","14.778","0.0003","90","","101.052","0.0015","90","","1545.2","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 B2 N4 -","- C14 H24 B2 N4 -","- C56 H96 B8 N16 -","4","0.5","","Weber, Lothar; Domke, Imme; Schmidt, Christian; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate","Syntheses, structures, luminescence and electrochemistry of benzene- and biphenyl-centered bis- and tris-1,3,2-diazaboroles and -1,3,2-diazaborolidines.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2127","2132","10.1039/b514920g","","","0.71073","MoKα","","0.0452","0.0392","","","0.1048","0.1086","","","","","","1.061","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006874","15.0648","0.0015","21.148","0.004","13.1921","0.0016","90","","114.265","0.001","90","","3831.6","0.9","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 B2 Cl4 F4 N6 O4 P W -","- C28 H40 B2 Cl4 F4 N6 O4 P W -","- C112 H160 B8 Cl16 F16 N24 O16 P4 W4 -","4","1","","Adams, Christopher J.; Bartlett, Ian M.; Boonyuen, Supakorn; Connelly, Neil G.; Harding, David J.; Hayward, Owen D.; McInnes, Eric J. L.; Orpen, A. Guy; Quayle, Michael J.; Rieger, Philip H.","Structural consequences of the one-electron reduction of d4 [Mo(CO)2(eta-PhC[triple bond]CPh)Tp']+ and the electronic structure of the d5 radicals [M(CO)L(eta-MeC[triple bond]CMe)Tp'] {L = CO and P(OCH2)3CEt}.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3466","3477","10.1039/b514951g","","","0.71073","MoKα","","0.0455","0.0292","","","0.0646","0.0691","","","","","","1.028","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006875","14.0309","0.0012","14.0309","0.0012","54","0.01","90","","90","","120","","9207","2","163","2","163","2","","","","","","","","7","P 31 2 1","P 31 2""","152","rac-9a","rac-9a","","- C53 H41 F18 N12 O P3 Ru2 -","- C53 H41 F18 N12 O P3 Ru2 -","- C318 H246 F108 N72 O6 P18 Ru12 -","6","1","","Slater, Jonathan W.; D'Alessandro, Deanna M; Keene, F. Richard; Steel, Peter J.","Metal-metal interactions in dinuclear ruthenium complexes containing bridging 4,5-di(2-pyridyl)imidazolates and related ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1954","1962","10.1039/b514976m","","","0.71073","MoKα","","0.1978","0.056","","","0.0651","0.0849","","","","","","0.605","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006876","12.585","0.006","13.339","0.007","22.104","0.012","73.085","0.009","81.326","0.01","62.856","0.009","3158","3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","9meso","9meso","","- C65.5 H56 F18 N13 P3 Ru2 -","- C65.5 H56 F18 N13 P3 Ru2 -","- C131 H112 F36 N26 P6 Ru4 -","2","1","","Slater, Jonathan W.; D'Alessandro, Deanna M; Keene, F. Richard; Steel, Peter J.","Metal-metal interactions in dinuclear ruthenium complexes containing bridging 4,5-di(2-pyridyl)imidazolates and related ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1954","1962","10.1039/b514976m","","","0.71073","MoKα","","0.1736","0.086","","","0.1778","0.2176","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006877","26.8898","0.0018","11.6087","0.0007","43.684","0.003","90","","90","","90","","13636.2","1.5","163","2","163","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C62.5 H49 F18 N12 P3 Ru2 -","- C62.5 H50 F18 N12 P3 Ru2 -","- C500 H400 F144 N96 P24 Ru16 -","8","","","Slater, Jonathan W.; D'Alessandro, Deanna M; Keene, F. Richard; Steel, Peter J.","Metal-metal interactions in dinuclear ruthenium complexes containing bridging 4,5-di(2-pyridyl)imidazolates and related ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1954","1962","10.1039/b514976m","","","0.71073","MoKα","","0.1442","0.0826","","","0.2322","0.2551","","","","","","0.953","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006878","26.4622","0.0009","9.184","0.0005","17.4818","0.0009","90","","122.969","0.002","90","","3564.4","0.3","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","lithium 4-cyanophenoxide pyridine","","","- C39 H33 Li2 N7 O2 -","- C39 H33 Li2 N7 O2 -","- C156 H132 Li8 N28 O8 -","4","1","","MacDougall, Dugald J.; Noll, Bruce C.; Kennedy, Alan R.; Henderson, Kenneth W.","4-Methoxy- and 4-cyano-substituted lithium aryloxides: electronic effects of substituents on aggregation.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1875","1884","10.1039/b515011f","","","0.71073","MoKα","","0.1142","0.0638","","","0.1268","0.1474","","","","","","1.061","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006879","19.08","0.0009","19.454","0.0009","16.0843","0.0008","90","","90","","90","","5970.2","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Lithium 4-cyanophenoxide THF solvate","","","- C60 H80 Li4 N4 O12 -","- C60 H80 Li4 N4 O12 -","- C240 H320 Li16 N16 O48 -","4","1","","MacDougall, Dugald J.; Noll, Bruce C.; Kennedy, Alan R.; Henderson, Kenneth W.","4-Methoxy- and 4-cyano-substituted lithium aryloxides: electronic effects of substituents on aggregation.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1875","1884","10.1039/b515011f","","x-ray","0.71073","MoKα","","0.0528","0.0447","","","0.1178","0.1244","","","","","","1.046","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006880","17.0224","0.0004","17.0224","0.0004","15.5545","0.0004","90","","90","","90","","4507.1","0.19","123","2","123","2","","","","","","","","5","I 41/a :2","-I 4ad","88","lithium 4-methoxyphenoxide pyridine","","","- C48 H48 Li4 N4 O8 -","- C48 H48 Li4 N4 O8 -","- C192 H192 Li16 N16 O32 -","4","0.25","","MacDougall, Dugald J.; Noll, Bruce C.; Kennedy, Alan R.; Henderson, Kenneth W.","4-Methoxy- and 4-cyano-substituted lithium aryloxides: electronic effects of substituents on aggregation.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1875","1884","10.1039/b515011f","","","0.71073","MoKα","","0.0955","0.0452","","","0.086","0.1008","","","","","","1.019","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006881","9.274","0.0001","14.933","0.0002","17.349","0.0002","90","","90","","90","","2402.64","0.05","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lithium 2,6-di-t-butyl-4cyanophenoxide pyridine","","","- C25 H30 Li N3 O -","- C25 H30 Li N3 O -","- C100 H120 Li4 N12 O4 -","4","1","","MacDougall, Dugald J.; Noll, Bruce C.; Kennedy, Alan R.; Henderson, Kenneth W.","4-Methoxy- and 4-cyano-substituted lithium aryloxides: electronic effects of substituents on aggregation.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1875","1884","10.1039/b515011f","","","0.71073","MoKα","","0.037","0.0327","","","0.0795","0.082","","","","","","1.028","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006882","11.915","0.0002","14.8575","0.0002","12.5174","0.0003","90","","91.759","0.001","90","","2214.87","0.07","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","lithium 2,6-di-t-butyl-4-cyanophenoxide THF","","","- C23 H36 Li N O3 -","- C23 H36 Li N O3 -","- C92 H144 Li4 N4 O12 -","4","1","","MacDougall, Dugald J.; Noll, Bruce C.; Kennedy, Alan R.; Henderson, Kenneth W.","4-Methoxy- and 4-cyano-substituted lithium aryloxides: electronic effects of substituents on aggregation.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1875","1884","10.1039/b515011f","","","0.71073","MoKα","","0.0795","0.0465","","","0.1011","0.1161","","","","","","1.014","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006883","10.0509","0.0004","10.4419","0.0004","12.9636","0.0005","79.264","0.001","70.309","0.001","63.079","0.001","1141.24","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","lithium 2,6-di-t-butyl-4-methoxyphenoxide pyridine","","","- C50 H66 Li2 N4 O4 -","- C50 H66 Li2 N4 O4 -","- C50 H66 Li2 N4 O4 -","1","0.5","","MacDougall, Dugald J.; Noll, Bruce C.; Kennedy, Alan R.; Henderson, Kenneth W.","4-Methoxy- and 4-cyano-substituted lithium aryloxides: electronic effects of substituents on aggregation.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1875","1884","10.1039/b515011f","","x-ray","0.71073","MoKα","","0.0422","0.0399","","","0.1086","0.1109","","","","","","1.026","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006884","21.426","0.004","5.227","0.001","27.398","0.006","90","","104.48","0.03","90","","2970.9","1.1","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H80 O20 P2 -","- C58 H80 O20 P2 -","- C116 H160 O40 P4 -","2","0.5","","Lu, Xiao-Xia; Cheng, Eddie Chung-Chin; Zhu, Nianyong; Yam, Vivian Wing-Wah","Synthesis, luminescence and ion-binding properties of palladium(II) complexes with 1,2-bis[di(benzo-15-crown-5)phosphino]ethane (dbcpe).","Dalton transactions (Cambridge, England : 2003)","2006","","14","1803","1808","10.1039/b515024h","","","0.71069","MoKα","","0.107","0.0751","","","0.209","0.2309","","","","","","0.987","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006885","5.74","0.001","13.703","0.001","13.774","0.001","90","","90","","90","","1083.4","0.2","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Fe O -","- C14 H14 Fe O -","- C56 H56 Fe4 O4 -","4","1","","Tebben, Ludger; Neumann, Markus; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Losi, Serena; Zanello, Piero","Development of a convenient new synthetic route to [3]ferrocenophanones.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1715","1720","10.1039/b515043d","","","0.71073","MoKα","","0.0296","0.025","","","0.0525","0.0543","","","","","","1.036","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006886","9.5178","0.0002","14.6999","0.0003","14.874","0.0003","90","","91.2425","0.0009","90","","2080.54","0.07","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 O19 Sm2 -","- C12 H16 O19 Sm2 -","- C48 H64 O76 Sm8 -","4","1","","Zhu, Wen-Hua; Wang, Zhe-Ming; Gao, Song","A 3D porous lanthanide-fumarate framework with water hexamer occupied cavities, exhibiting a reversible dehydration and rehydration procedure.","Dalton transactions (Cambridge, England : 2003)","2006","","6","765","768","10.1039/b515151a","","","0.71073","MoKα","","0.0547","0.0284","","","0.0526","0.0568","","","","","","0.934","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7006887","9.8012","0.0011","11.298","0.0018","12.587","0.002","110.808","0.016","106.498","0.015","92.064","0.015","1234.6","0.4","294","1","294","1","","","","","","","synthesized by the authors, see text","5","P -1","-P 1","2","","","","- C24 H42 Au O P -","- C24 H42 Au O P -","- C48 H84 Au2 O2 P2 -","2","1","","Ferguson, George; Gallagher, John F.; Kennedy, John D.; Kelleher, Anne-Marie; Spalding, Trevor R.","Pentahapto-bonded gold heteroborane clusters [3-(R3P)-closo-2,1-AuTeB10H10]- and [3-(R3P)-closo-3,1,2-AuAs2B9H9]-.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2133","2139","10.1039/b515165a","","","0.71073","MoKα","","0.0972","0.0524","","","0.1179","0.1293","","","","","","1.018","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006888","9.564","0.003","9.882","0.003","18.937","0.003","102.84","0.02","93.69","0.02","101.08","0.02","1701.7","0.8","294","1","294","1","","","","","","","synthesized by the authors, see text","8","P -1","-P 1","2","","","","- C23 H38 As2 Au B9 Cl2 N P -","- C23 H37.999 As2.001 Au B8.999 Cl2 N P -","- C46 H75.998 As4.002 Au2 B17.998 Cl4 N2 P2 -","2","1","","Ferguson, George; Gallagher, John F.; Kennedy, John D.; Kelleher, Anne-Marie; Spalding, Trevor R.","Pentahapto-bonded gold heteroborane clusters [3-(R3P)-closo-2,1-AuTeB10H10]- and [3-(R3P)-closo-3,1,2-AuAs2B9H9]-.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2133","2139","10.1039/b515165a","","","0.71073","MolybdenumKα","","0.0965","0.0464","","","0.0933","0.1037","","","","","","1","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006889","20.705","0.003","8.6844","0.0009","37.396","0.003","90","","90","","90","","6724.2","1.3","294","1","294","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H45 Au B10 N P Te -","- C26 H45.0005 Au B10 N P Te -","- C208 H360.004 Au8 B80 N8 P8 Te8 -","8","2","","Ferguson, George; Gallagher, John F.; Kennedy, John D.; Kelleher, Anne-Marie; Spalding, Trevor R.","Pentahapto-bonded gold heteroborane clusters [3-(R3P)-closo-2,1-AuTeB10H10]- and [3-(R3P)-closo-3,1,2-AuAs2B9H9]-.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2133","2139","10.1039/b515165a","","","0.71073","MoKα","","0.1269","0.0498","","","0.0957","0.1128","","","","","","0.903","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006890","12.1363","0.0002","16.9452","0.0002","20.2967","0.0002","84.3205","0.0004","75.0315","0.0005","89.0985","0.0005","4012.42","0.09","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C45 H47 P Ru S3 -","- C45 H47 P Ru S3 -","- C180 H188 P4 Ru4 S12 -","4","2","","Bishop, Peter T.; Cowley, Andrew R.; Dilworth, Jonathan R.; Saunders, Andrew J.; Woollard-Shore, John G","Substituent dependence of the reactions of [RuCl2(PPh3)3] with bulky aromatic thiols.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1267","1270","10.1039/b515244e","","","0.71073","MoKα","","0.0731","0.0498","","0.0712","0.0579","0.0579","","","","","","1.0422","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006891","11.6056","0.0002","13.479","0.0002","16.3892","0.0003","80.9584","0.0008","75.9086","0.0008","81.6204","0.0008","2440.24","0.07","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C57 H56 O P2 Ru S2 -","- C57 H56 O P2 Ru S2 -","- C114 H112 O2 P4 Ru2 S4 -","2","1","","Bishop, Peter T.; Cowley, Andrew R.; Dilworth, Jonathan R.; Saunders, Andrew J.; Woollard-Shore, John G","Substituent dependence of the reactions of [RuCl2(PPh3)3] with bulky aromatic thiols.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1267","1270","10.1039/b515244e","","","0.71073","MoKα","","0.0735","0.0354","","0.0672","0.0384","0.0384","","","","","","1.1137","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006892","10.9358","0.0002","13.5984","0.0002","23.3454","0.0004","100.094","0.0006","103.033","0.0006","103.525","0.0006","3191.77","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H84 P2 Ru S3 -","- C75 H84 P2 Ru S3 -","- C150 H168 P4 Ru2 S6 -","2","1","","Bishop, Peter T.; Cowley, Andrew R.; Dilworth, Jonathan R.; Saunders, Andrew J.; Woollard-Shore, John G","Substituent dependence of the reactions of [RuCl2(PPh3)3] with bulky aromatic thiols.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1267","1270","10.1039/b515244e","","","0.71073","MoKα","","0.1028","0.0489","","0.0953","0.0567","0.0567","","","","","","1.118","","","","has coordinates,has disorder","288645","2024-01-03","15:04:00",""
"7006893","12.2271","0.0002","12.4745","0.0002","18.4853","0.0002","94.682","0.0006","106.81","0.0006","110.9","0.0006","2467.02","0.06","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P -1","-P 1","2","","","","- C54 H66 P Ru S3 -","- C54 H66 P Ru S3 -","- C108 H132 P2 Ru2 S6 -","2","1","","Bishop, Peter T.; Cowley, Andrew R.; Dilworth, Jonathan R.; Saunders, Andrew J.; Woollard-Shore, John G","Substituent dependence of the reactions of [RuCl2(PPh3)3] with bulky aromatic thiols.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1267","1270","10.1039/b515244e","","","0.71073","MoKα","","0.0359","0.0286","","0.0375","0.0315","0.0315","","","","","","1.1121","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006894","12.117","0.0002","13.7658","0.0002","20.7248","0.0003","106.965","0.0006","91.7024","0.0006","98.7577","0.0006","3257.86","0.09","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C72 H88 O2 P2 Ru S2 -","- C72 H88 O2 P2 Ru S2 -","- C144 H176 O4 P4 Ru2 S4 -","2","1","","Bishop, Peter T.; Cowley, Andrew R.; Dilworth, Jonathan R.; Saunders, Andrew J.; Woollard-Shore, John G","Substituent dependence of the reactions of [RuCl2(PPh3)3] with bulky aromatic thiols.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1267","1270","10.1039/b515244e","","","0.71073","MoKα","","0.0598","0.0364","","0.0547","0.0405","0.0405","","","","","","1.0985","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006895","9.3074","0.0001","17.7513","0.0003","22.3268","0.0003","90","","90","","90","","3688.8","0.09","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 O11 P Ru4 -","- C33 H33 O11 P Ru4 -","- C132 H132 O44 P4 Ru16 -","4","1","","Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe","Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","279","288","10.1039/b515273a","","","0.71073","MoKα","","0.0263","0.0226","","","0.0427","0.0436","","","","","","1.072","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006896","9.3092","0.0019","19.38","0.004","15.867","0.003","90","","90.51","0.03","90","","2862.5","1","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H64 Cl2 O10 P2 Ru4 -","- C55 H64 Cl2 O10 P2 Ru4 -","- C110 H128 Cl4 O20 P4 Ru8 -","2","1","","Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe","Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","279","288","10.1039/b515273a","","","0.71073","MoKα","","0.0178","0.0169","","","0.0399","0.0405","","","","","","1.086","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006897","11.651","0.002","15.18","0.003","38.529","0.008","90","","90","","90","","6814","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 O10 P2 Ru4 -","- C28 H32 O10 P2 Ru4 -","- C224 H256 O80 P16 Ru32 -","8","2","","Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe","Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","279","288","10.1039/b515273a","","","0.71073","MoKα","","0.0648","0.0428","","","0.0615","0.067","","","","","","1.033","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006898","9.7272","0.0019","16.058","0.003","12.132","0.002","90","","113.35","0.03","90","","1739.8","0.7","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H32 O11 P2 Ru4 -","- C28 H32 O11 P2 Ru4 -","- C56 H64 O22 P4 Ru8 -","2","1","","Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe","Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","279","288","10.1039/b515273a","","","0.71073","MoKα","","0.0187","0.0181","","","0.0433","0.0436","","","","","","1.09","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006899","12.7512","0.0002","18.7601","0.0004","21.1114","0.0004","90","","90","","90","","5050.14","0.16","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H37 Cl3 O12 P2 Ru4 -","- C41.93 H36.93 Cl2.79 O12 P2 Ru4 -","- C167.72 H147.72 Cl11.16 O48 P8 Ru16 -","4","1","","Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe","Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","279","288","10.1039/b515273a","","","0.71073","MoKα","","0.1127","0.0413","","","0.077","0.0894","","","","","","0.777","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006900","15.9624","0.0005","19.8385","0.0006","17.5353","0.0005","90","","106.296","0.001","90","","5329.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88 H86 O24 P4 Ru8 -","- C91.552 H94.288 O24 P4 Ru8 -","- C183.104 H188.576 O48 P8 Ru16 -","2","1","","Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe","Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","279","288","10.1039/b515273a","","","0.71073","MoKα","","0.0854","0.044","","","0.0851","0.0957","","","","","","0.815","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006901","11.8868","0.0004","16.0305","0.0006","22.8822","0.0008","90","","90","","90","","4360.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 O13 P2 Ru4 -","- C38 H32 O12.43 P2 Ru4 -","- C152 H128 O49.72 P8 Ru16 -","4","1","","Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe","Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","279","288","10.1039/b515273a","","","0.71073","MoKα","","0.0573","0.0411","","","0.0976","0.1041","","","","","","1.086","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006902","19.44","0.003","21.855","0.004","23.828","0.004","106.286","0.003","105.45","0.003","107.424","0.003","8566","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C331 H302 B16 F64 N92 O2 Zn8 -","- C331 H298 B16 F64 N92 O2 Zn8 -","- C331 H298 B16 F64 N92 O2 Zn8 -","1","0.5","","Argent, Stephen P.; Adams, Harry; Harding, Lindsay P.; Ward, Michael D.","A closed molecular cube and an open book: two different products from assembly of the same metal salt and bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","4","542","544","10.1039/b515296h","","","0.71073","MoKα","","0.2378","0.0896","","","0.2","0.2651","","","","","","0.944","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006903","29.108","0.005","26.238","0.004","37.671","0.006","90","","91.369","0.004","90","","28762","8","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C451 H417 Cl21 Co12 N127 O122 -","- C451 H417 Cl21 Co12 N127 O122 -","- C902 H834 Cl42 Co24 N254 O244 -","2","0.5","","Argent, Stephen P.; Adams, Harry; Harding, Lindsay P.; Ward, Michael D.","A closed molecular cube and an open book: two different products from assembly of the same metal salt and bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","4","542","544","10.1039/b515296h","","","0.71073","MoKα","","0.3656","0.1519","","","0.2516","0.2682","","","","","","1.231","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006904","27.3324","0.0004","12.9324","0.0002","25.6423","0.0004","90","","90","","90","","9063.9","0.2","150","1","150","1","","","","","","","","9","P n a 21","P 2c -2n","33","(Co6(bpyany)(NCS)2)(PF6)","","","- C80 H62 Cl12 Co6 F6 N26 O P S2 -","- C80 H62 Cl12 Co6 F6 N26 O P S2 -","- C320 H248 Cl48 Co24 F24 N104 O4 P4 S8 -","4","1","","Chien, Chih-Hsien; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Fang, Jim-Min; Peng, Shie-Ming","Novel linear hexanuclear cobalt string complexes (Co6(12+)) and one-electron reduction products (Co6(11+)) supported by four bpyany2- ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2106","2113","10.1039/b515311e","","","0.71073","MoKα","","0.0937","0.0722","","","0.1943","0.2117","","","","","","1.041","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006905","17.393","0.0002","17.393","0.0002","28.006","0.0005","90","","90","","90","","8472.3","0.2","150","1","150","1","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","(Co6(bpyany)4(NCS)2)(PF6)2","","","- C78 H56 Cl8 Co6 F12 N26 P2 S2 -","- C78 H56 Cl8 Co6 F12 N26 P2 S2 -","- C312 H224 Cl32 Co24 F48 N104 P8 S8 -","4","0.5","","Chien, Chih-Hsien; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Fang, Jim-Min; Peng, Shie-Ming","Novel linear hexanuclear cobalt string complexes (Co6(12+)) and one-electron reduction products (Co6(11+)) supported by four bpyany2- ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2106","2113","10.1039/b515311e","","","0.71073","MoKα","","0.0778","0.0502","","","0.1229","0.1369","","","","","","1.019","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006906","48.8644","0.0004","16.9122","0.0001","24.1983","0.0002","90","","96.541","0.0004","90","","19867.4","0.3","150","1","150","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","(Co6(bpyany)4(OTf)2)(OTf)2","","","- C82 H60 Cl12 Co6 F12 N24 O12 S4 -","- C82 H60 Cl12 Co6 F12 N24 O12 S4 -","- C656 H480 Cl96 Co48 F96 N192 O96 S32 -","8","1","","Chien, Chih-Hsien; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Fang, Jim-Min; Peng, Shie-Ming","Novel linear hexanuclear cobalt string complexes (Co6(12+)) and one-electron reduction products (Co6(11+)) supported by four bpyany2- ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2106","2113","10.1039/b515311e","","","0.71073","MoKα","","0.0896","0.056","","","0.1552","0.1731","","","","","","1.075","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006907","12.9988","0.0002","28.3349","0.0005","26.0264","0.0003","90","","93.297","0.0008","90","","9570.2","0.2","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","(Co6(bpyany)4(OTf)2)(OTf)","","","- C84 H69.5 Cl10 Co6 F9 N24 O10.75 S3 -","- C84 H69.5 Cl10 Co6 F9 N24 O10.75 S3 -","- C336 H278 Cl40 Co24 F36 N96 O43 S12 -","4","1","","Chien, Chih-Hsien; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Fang, Jim-Min; Peng, Shie-Ming","Novel linear hexanuclear cobalt string complexes (Co6(12+)) and one-electron reduction products (Co6(11+)) supported by four bpyany2- ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2106","2113","10.1039/b515311e","","","0.71073","MoKα","","0.12","0.0891","","","0.2599","0.2924","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006908","10.368","0.008","16.603","0.014","13.099","0.011","90","","98.82","0.02","90","","2228","3","295","2","295","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C34 H59 N14 W2 -","- C31 H52 N14 W2 -","- C62 H104 N28 W4 -","2","0.5","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1943","1953","10.1039/b515378f","","","0.71073","MoKα","","0.0466","0.0303","","","0.0785","0.0828","","","","","","0.912","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006909","9.751","0.0011","9.8157","0.001","17.518","0.002","90","","100.306","0.002","90","","1649.6","0.3","295","2","295","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C28 H48 Mo N10 -","- C28 H48 Mo N10 -","- C56 H96 Mo2 N20 -","2","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1943","1953","10.1039/b515378f","","","0.71073","MoKα","","0.056","0.0356","","","0.0649","0.0705","","","","","","0.94","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006910","9.742","0.002","9.821","0.002","17.521","0.004","90","","100.24","0.005","90","","1649.6","0.6","295","2","295","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C28 H48 N10 W -","- C28 H48 N10 W -","- C56 H96 N20 W2 -","2","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1943","1953","10.1039/b515378f","","","0.71073","MoKα","","0.0304","0.0252","","","0.0558","0.0575","","","","","","1.026","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006911","18.211","0.002","10.9777","0.0011","19.579","0.002","90","","113.467","0.002","90","","3590.4","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H56 Mo N6 -","- C30 H56 Mo N6 -","- C120 H224 Mo4 N24 -","4","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1943","1953","10.1039/b515378f","","","0.71073","MoKα","","0.1687","0.045","","","0.1074","0.1437","","","","","","0.833","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006912","18.253","0.005","11.006","0.003","19.533","0.006","90","","113.752","0.007","90","","3591.7","1.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H56 N6 W -","- C30 H56 N6 W -","- C120 H224 N24 W4 -","4","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1943","1953","10.1039/b515378f","","","0.71073","MoKα","","0.0513","0.028","","","0.0719","0.0788","","","","","","0.93","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006913","18.276","0.002","10.7343","0.0014","17.974","0.002","90","","98.598","0.002","90","","3486.5","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 Cl2 Mo2 N8 -","- C26 H50 Cl2 Mo2 N8 -","- C104 H200 Cl8 Mo8 N32 -","4","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1943","1953","10.1039/b515378f","","","0.71073","MoKα","","0.1791","0.0799","","","0.2038","0.2393","","","","","","0.97","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006914","18.373","0.003","10.7499","0.0015","18.014","0.003","90","","98.798","0.002","90","","3516","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 Cl2 N8 W2 -","- C26 H50 Cl2 N8 W2 -","- C104 H200 Cl8 N32 W8 -","4","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1943","1953","10.1039/b515378f","","","0.71073","MoKα","","0.0647","0.0264","","","0.0418","0.0464","","","","","","0.816","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006915","14.5205","0.0011","13.8974","0.0011","19.5636","0.0013","90","","95.661","0.002","90","","3928.6","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 N10 W -","- C34 H56 N10 W -","- C136 H224 N40 W4 -","4","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1943","1953","10.1039/b515378f","","","0.71073","MoKα","","0.0647","0.0285","","","0.0459","0.0515","","","","","","0.848","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006916","9.023","0.0012","12.68","0.0019","13.964","0.002","95.403","0.002","90.521","0.003","102.089","0.003","1554.6","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 F6 N12 W -","- C22 H28 F6 N12 W -","- C44 H56 F12 N24 W2 -","2","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1943","1953","10.1039/b515378f","","","0.71073","MoKα","","0.139","0.0503","","","0.1028","0.1212","","","","","","0.819","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006917","16.952","0.006","10.658","0.004","19.851","0.008","90","","113.311","0.008","90","","3294","2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Mo N8 -","- C32 H38 Mo N8 -","- C128 H152 Mo4 N32 -","4","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1943","1953","10.1039/b515378f","","","0.71073","MoKα","","0.0827","0.0418","","","0.1049","0.1235","","","","","","1.033","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006918","8.674","0.005","10.011","0.005","19.666","0.011","90.598","0.01","92.544","0.009","103.321","0.011","1659.7","1.6","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 N8 W -","- C32 H38 N8 W -","- C64 H76 N16 W2 -","2","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1943","1953","10.1039/b515378f","","","0.71073","MoKα","","0.0715","0.0457","","","0.1047","0.1142","","","","","","0.973","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006919","8.074","0.003","13.378","0.005","13.562","0.005","90","","97.218","0.008","90","","1453.3","0.9","273.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N4 O6 Zn -","- C12 H12 N4 O6 Zn -","- C48 H48 N16 O24 Zn4 -","4","0.5","","Sakai, Ken-ichi; Imakubo, Tatsuro; Ichikawa, Musubu; Taniguchi, Yoshio","A photoluminescent six-coordinated zinc(II) complex with hydroxides as axial ligands, [Zn(Hhpa)2(OH)2] (Hhpa = 3-hydroxypicolinamide).","Dalton transactions (Cambridge, England : 2003)","2006","","7","881","883","10.1039/b515506a","","","0.7107","MoKα","","","0.0547","","","","0.1528","","","","","","0.813","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006920","9.753","0.002","14.636","0.003","18.783","0.004","86.81","0.03","76","0.03","74.48","0.03","2506.6","1","140","1","140","1","","","","","","","","6","P -1","-P 1","2","Compound 1","","","- C56.5 H16 B Cl F27 N -","- C56.5 H16 B Cl F27 N -","- C113 H32 B2 Cl2 F54 N2 -","2","1","","Hannant, Mark H.; Wright, Joseph A.; Lancaster, Simon J.; Hughes, David L.; Horton, Peter N.; Bochmann, Manfred","The synthesis of new weakly coordinating diborate anions: anion stability as a function of linker structure and steric bulk.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2415","2426","10.1039/b515548g","","","0.71073","MoKα","","0.1423","0.0867","","","0.226","0.2565","","","","","","0.953","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006921","10.9769","0.0003","14.3059","0.0006","22.4108","0.001","87.181","0.002","83.93","0.003","85.923","0.002","3487.6","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H4 B Cl2 F26 N -","- C37 H4 B Cl2 F26 N -","- C148 H16 B4 Cl8 F104 N4 -","4","2","","Hannant, Mark H.; Wright, Joseph A.; Lancaster, Simon J.; Hughes, David L.; Horton, Peter N.; Bochmann, Manfred","The synthesis of new weakly coordinating diborate anions: anion stability as a function of linker structure and steric bulk.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2415","2426","10.1039/b515548g","","","0.71073","MoKα","","0.1444","0.0558","","","0.1208","0.151","","","","","","0.948","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006922","9.788","0.002","18.682","0.004","27.788","0.006","90.21","0.03","92.34","0.03","104.52","0.03","4914.4","1.9","140","1","140","1","","","","","","","","4","P -1","-P 1","2","(CPh3)(F-PBB)","","","- C55 H15 B F28 -","- C55 H15 B F28 -","- C220 H60 B4 F112 -","4","2","","Hannant, Mark H.; Wright, Joseph A.; Lancaster, Simon J.; Hughes, David L.; Horton, Peter N.; Bochmann, Manfred","The synthesis of new weakly coordinating diborate anions: anion stability as a function of linker structure and steric bulk.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2415","2426","10.1039/b515548g","","","0.71073","Mo-Kα","","0.2016","0.0971","","","0.2163","0.2567","","","","","","0.887","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006923","20.132","0.004","9.13","0.0018","28.525","0.006","90","","107.92","0.03","90","","4988.7","1.9","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 4b","","","- C57 H15 B2 F30 N3 -","- C57 H15 B2 F30 N3 -","- C228 H60 B8 F120 N12 -","4","1","","Hannant, Mark H.; Wright, Joseph A.; Lancaster, Simon J.; Hughes, David L.; Horton, Peter N.; Bochmann, Manfred","The synthesis of new weakly coordinating diborate anions: anion stability as a function of linker structure and steric bulk.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2415","2426","10.1039/b515548g","","","0.71073","MoKα","","0.1587","0.0646","","","0.1464","0.1883","","","","","","0.943","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006924","12.64","0.002","13.617","0.003","14.744","0.002","85.194","0.013","85.942","0.011","76.607","0.013","2456.6","0.8","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H41 F12 Fe N7 O2 P2 -","- C54 H41 F12 Fe N7 O2 P2 -","- C108 H82 F24 Fe2 N14 O4 P4 -","2","1","","Chow, Hoi Shan; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Ligands and complexes with supramolecular aromatic-aromatic interactions: iron(II) and ruthenium(II) complexes of 2,2':6',2''-terpyridines with pendant naphthalene groups.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2881","2890","10.1039/b515610f","","","0.71073","MoKα","","0.0652","0.0342","","0.0547","0.0373","0.0373","","","","","","1.0914","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006925","16.897","0.003","32.914","0.011","18.693","0.011","90","","94.84","0.02","90","","10359","7","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H46 F12 Fe N6 O4 P2 -","- C56 H46 F12 Fe N6 O4 P2 -","- C448 H368 F96 Fe8 N48 O32 P16 -","8","2","","Chow, Hoi Shan; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Ligands and complexes with supramolecular aromatic-aromatic interactions: iron(II) and ruthenium(II) complexes of 2,2':6',2''-terpyridines with pendant naphthalene groups.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2881","2890","10.1039/b515610f","","","0.71073","MoKα","","0.1629","0.1074","","0.1122","0.0783","0.0783","","","","","","0.9943","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006926","10.5509","0.0003","22.5202","0.0007","7.289","0.0002","90","","109.064","0.0016","90","","1636.94","0.08","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C76 H76 N12 O12 -","4","1","","Chow, Hoi Shan; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Ligands and complexes with supramolecular aromatic-aromatic interactions: iron(II) and ruthenium(II) complexes of 2,2':6',2''-terpyridines with pendant naphthalene groups.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2881","2890","10.1039/b515610f","","","0.71073","MoKα","","0.081","0.0511","","0.1411","0.0627","0.0627","","","","","","0.9494","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006927","41.93","0.007","5.1238","0.0011","9.745","0.004","90","","90","","90","","2093.6","1","173","","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H20 Cl N3 O S -","- C25 H20 Cl N3 O S -","- C100 H80 Cl4 N12 O4 S4 -","4","1","","Chow, Hoi Shan; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Ligands and complexes with supramolecular aromatic-aromatic interactions: iron(II) and ruthenium(II) complexes of 2,2':6',2''-terpyridines with pendant naphthalene groups.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2881","2890","10.1039/b515610f","","","0.71073","MoKα","","0.1012","0.0465","","0.0621","0.0449","0.0449","","","","","","0.9126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006928","12.5716","0.0007","13.6977","0.0016","14.845","0.002","85.459","0.011","86.045","0.007","76.722","0.007","2476.8","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H41 F12 N7 O2 P2 Ru -","- C54 H41 F12 N7 O2 P2 Ru -","- C108 H82 F24 N14 O4 P4 Ru2 -","2","1","","Chow, Hoi Shan; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Ligands and complexes with supramolecular aromatic-aromatic interactions: iron(II) and ruthenium(II) complexes of 2,2':6',2''-terpyridines with pendant naphthalene groups.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2881","2890","10.1039/b515610f","","","0.71073","MoKα","","0.0641","0.0335","","0.0483","0.0298","0.0298","","","","","","1.1327","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006929","16.8109","0.0003","33.2255","0.0011","18.7663","0.0005","90","","93.564","0.0015","90","","10461.7","0.5","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H46 F12 N6 O4 P2 Ru -","- C56 H46 F12 N6 O4 P2 Ru -","- C448 H368 F96 N48 O32 P16 Ru8 -","8","2","","Chow, Hoi Shan; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Ligands and complexes with supramolecular aromatic-aromatic interactions: iron(II) and ruthenium(II) complexes of 2,2':6',2''-terpyridines with pendant naphthalene groups.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2881","2890","10.1039/b515610f","","","0.71073","MoKα","","0.1319","0.0653","","0.1034","0.0579","0.0579","","","","","","1.1357","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006930","8.197","0.004","8.3","0.004","9.256","0.004","105.22","0.03","106.98","0.03","103.84","0.04","546.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis-pyrazole bis-mu-pyrazolate bis-acetato dizinc(ii)","","- C16 H20 N8 O4 Zn2 -","- C16 H20 N8 O4 Zn2 -","- C16 H20 N8 O4 Zn2 -","1","0.5","","Cingolani, Augusto; Galli, Simona; Masciocchi, Norberto; Pandolfo, Luciano; Pettinari, Claudio; Sironi, Angelo","The competition between acetate and pyrazolate in the formation of polynuclear Zn(II) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2479","2486","10.1039/b515630k","","","0.71073","MoKα","","0.044","0.0343","","","0.0811","0.086","","","","","","1.034","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006931","7.997","0.001","8.294","0.001","14.449","0.001","99.1","0.01","105.98","0.01","101.57","0.01","879.14","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis-pyrazole bis-acetato zinc(ii) acetic acid solvate","bis-pyrazole bis-acetato zinc(ii) acetic acid solvate","","- C12 H18 N4 O6 Zn -","- C12 H18 N4 O6 Zn -","- C24 H36 N8 O12 Zn2 -","2","1","","Cingolani, Augusto; Galli, Simona; Masciocchi, Norberto; Pandolfo, Luciano; Pettinari, Claudio; Sironi, Angelo","The competition between acetate and pyrazolate in the formation of polynuclear Zn(II) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2479","2486","10.1039/b515630k","","","0.71073","MoKα","","0.0336","0.0298","","","0.0783","0.0808","","","","","","1.064","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006932","13.63122","0.00039","15.23971","0.00048","6.47958","0.00019","90","","90","","90","","1346.04","0.07","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","catena mu-pyrazolato mu-acetato zinc(ii)","catena mu-pyrazolato mu-acetato zinc(ii)","","- C5 H6 N2 O2 Zn -","- C5 H3 N2 O2 Zn -","- C40 H24 N16 O16 Zn8 -","8","1","","Cingolani, Augusto; Galli, Simona; Masciocchi, Norberto; Pandolfo, Luciano; Pettinari, Claudio; Sironi, Angelo","The competition between acetate and pyrazolate in the formation of polynuclear Zn(II) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2479","2486","10.1039/b515630k","","","1.5418","CuKα","","","","","","","","","","2.68","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006933","17.9235","0.0002","11.987","0.0001","18.784","0.0002","90","","114.244","0.001","90","","3679.79","0.07","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 Gd N7 O9 -","- C37 H30 Gd N7 O9 -","- C148 H120 Gd4 N28 O36 -","4","1","","Wei, Wen-Hao; Wang, Zhong; Mizuno, Toshihisa; Cortez, Cecilia; Fu, Lei; Sirisawad, Mint; Naumovski, Louie; Magda, Darren; Sessler, Jonathan L.","New polyethyleneglycol-functionalized texaphyrins: synthesis and in vitro biological studies.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1934","1942","10.1039/b515636j","","","0.71073","MoKα","","0.0362","0.0278","","","0.0712","0.0741","","","","","","1.145","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006934","6.4295","0.0017","7.0606","0.0019","22.987","0.006","90","","90.097","0.005","90","","1043.5","0.5","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C9 H14 N2 O2 S -","- C9 H14 N2 O2 S -","- C36 H56 N8 O8 S4 -","4","2","","Squires, Clare; Baxter, Christopher W.; Campbell, John; Lindoy, Leonard F.; McNab, Hamish; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; Wei, Gang; White, David J.","Design of base metal extractants. Part 1. Inter-ligand hydrogen bonding in the assembly of pseudo-macrocyclic bis(aminosulfonamidato)M(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","2026","2034","10.1039/b515650p","","","0.71073","MoKα","","0.042","0.0368","","","0.0718","0.0734","","","","","","0.996","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006935","11.946","0.0008","7.8174","0.0005","13.1025","0.0009","90","","108.531","0.001","90","","1160.16","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N2 O2 S -","- C10 H16 N2 O2 S -","- C40 H64 N8 O8 S4 -","4","1","","Squires, Clare; Baxter, Christopher W.; Campbell, John; Lindoy, Leonard F.; McNab, Hamish; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; Wei, Gang; White, David J.","Design of base metal extractants. Part 1. Inter-ligand hydrogen bonding in the assembly of pseudo-macrocyclic bis(aminosulfonamidato)M(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","2026","2034","10.1039/b515650p","","","0.71073","MoKα","","0.0379","0.0342","","","0.0936","0.095","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006936","22.113","0.003","8.4446","0.0014","8.9661","0.0008","90","","90","","90","","1674.3","0.4","220","2","220","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H22 N2 O2 S -","- C17 H22 N2 O2 S -","- C68 H88 N8 O8 S4 -","4","1","","Squires, Clare; Baxter, Christopher W.; Campbell, John; Lindoy, Leonard F.; McNab, Hamish; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; Wei, Gang; White, David J.","Design of base metal extractants. Part 1. Inter-ligand hydrogen bonding in the assembly of pseudo-macrocyclic bis(aminosulfonamidato)M(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","2026","2034","10.1039/b515650p","","","0.71073","MoKα","","0.1042","0.0539","","","0.0884","0.1034","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006937","15.891","0.003","6.5484","0.0012","15.549","0.003","90","","105.131","0.015","90","","1561.9","0.5","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 O2 S -","- C14 H24 N2 O2 S -","- C56 H96 N8 O8 S4 -","4","1","","Squires, Clare; Baxter, Christopher W.; Campbell, John; Lindoy, Leonard F.; McNab, Hamish; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; Wei, Gang; White, David J.","Design of base metal extractants. Part 1. Inter-ligand hydrogen bonding in the assembly of pseudo-macrocyclic bis(aminosulfonamidato)M(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","2026","2034","10.1039/b515650p","","","0.71073","MoKα","","0.1074","0.0526","","","0.1091","0.1298","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006938","11.245","0.008","6.1","0.005","18.916","0.017","90","","98.5","0.08","90","","1283.3","1.8","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","2","","Squires, Clare; Baxter, Christopher W.; Campbell, John; Lindoy, Leonard F.; McNab, Hamish; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; Wei, Gang; White, David J.","Design of base metal extractants. Part 1. Inter-ligand hydrogen bonding in the assembly of pseudo-macrocyclic bis(aminosulfonamidato)M(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","2026","2034","10.1039/b515650p","","","0.71073","MoKα","","0.0315","0.0282","","","0.0726","0.0745","","","","","","1.057","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006939","15.636","0.006","25.789","0.008","11.784","0.006","90","","90.18","0.03","90","","4752","3","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 N4 O5 S2 Zn -","- C19 H30 N4 O5 S2 Zn -","- C152 H240 N32 O40 S16 Zn8 -","8","2","","Squires, Clare; Baxter, Christopher W.; Campbell, John; Lindoy, Leonard F.; McNab, Hamish; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; Wei, Gang; White, David J.","Design of base metal extractants. Part 1. Inter-ligand hydrogen bonding in the assembly of pseudo-macrocyclic bis(aminosulfonamidato)M(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","2026","2034","10.1039/b515650p","","","0.71073","MoKα","","0.0921","0.0544","","","0.1274","0.1467","","","","","","1.005","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006940","12.832","0.006","6.912","0.003","12.253","0.005","90","","108.68","0.03","90","","1029.5","0.8","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N4 Ni O4 S2 -","- C18 H26 N4 Ni O4 S2 -","- C36 H52 N8 Ni2 O8 S4 -","2","0.5","","Squires, Clare; Baxter, Christopher W.; Campbell, John; Lindoy, Leonard F.; McNab, Hamish; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; Wei, Gang; White, David J.","Design of base metal extractants. Part 1. Inter-ligand hydrogen bonding in the assembly of pseudo-macrocyclic bis(aminosulfonamidato)M(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","2026","2034","10.1039/b515650p","","","1.54178","CuKα","","0.0566","0.0518","","","0.1417","0.1465","","","","","","1.071","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006941","6.2601","0.0015","10.817","0.003","19.487","0.005","90","","94.534","0.004","90","","1315.4","0.6","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H38 Cu N4 O4 S2 -","- C24 H38 Cu N4 O4 S2 -","- C48 H76 Cu2 N8 O8 S4 -","2","1","","Squires, Clare; Baxter, Christopher W.; Campbell, John; Lindoy, Leonard F.; McNab, Hamish; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; Wei, Gang; White, David J.","Design of base metal extractants. Part 1. Inter-ligand hydrogen bonding in the assembly of pseudo-macrocyclic bis(aminosulfonamidato)M(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","2026","2034","10.1039/b515650p","","","0.71073","MoKα","","0.0337","0.0312","","","0.0646","0.065","","","","","","0.919","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006942","13.205","0.003","25.641","0.007","14.546","0.004","90","","93.61","0.004","90","","4915","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H72 Ag5 Br6 N3 -","- C33 H72 Ag5 Br6 N3 -","- C132 H288 Ag20 Br24 N12 -","4","1","","Liu, Xi; Guo, Guo-Cong; Fu, Ming-Lai; Chen, Wen-Tong; Zhang, Zhang-Jing; Huang, Jin-Shun","Two novel halogeno(cyano)argentates with efficient luminescence.","Dalton transactions (Cambridge, England : 2003)","2006","","7","884","886","10.1039/b515652c","","","0.71073","MoKα","","0.0835","0.045","","","0.0841","0.0961","","","","","","1","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006943","8.967","0.009","9.031","0.008","13.328","0.013","90","","90","","90","","1079.3","1.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H12 Ag2 Cl N3 -","- C6 H12 Ag2 Cl N3 -","- C24 H48 Ag8 Cl4 N12 -","4","1","","Liu, Xi; Guo, Guo-Cong; Fu, Ming-Lai; Chen, Wen-Tong; Zhang, Zhang-Jing; Huang, Jin-Shun","Two novel halogeno(cyano)argentates with efficient luminescence.","Dalton transactions (Cambridge, England : 2003)","2006","","7","884","886","10.1039/b515652c","","","0.71073","MoKα","","0.088","0.0679","","","0.2009","0.2199","","","","","","1.001","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006944","13.1471","0.0008","23.7606","0.0019","12.7676","0.0008","90","","103.895","0.005","90","","3871.7","0.5","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 S3 Si W -","- C15 H20 O3 S3 Si W -","- C120 H160 O24 S24 Si8 W8 -","8","2","","Weidner, Tobias; Krämer, Andreas; Bruhn, Clemens; Zharnikov, Michael; Shaporenko, Andrey; Siemeling, Ulrich; Träger, Frank","Novel tripod ligands for prickly self-assembled monolayers.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2767","2777","10.1039/b515727g","","","0.71073","MoKα","","0.0283","0.0193","","","0.0382","0.0395","","","","","","0.914","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006945","9.8433","0.0004","41.729","0.002","13.1267","0.0005","90","","91.271","0.003","90","","5390.5","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 O3.5 S3 Si W -","- C23 H26.7265 O3.5 S3 Si W -","- C184 H213.812 O28 S24 Si8 W8 -","8","2","","Weidner, Tobias; Krämer, Andreas; Bruhn, Clemens; Zharnikov, Michael; Shaporenko, Andrey; Siemeling, Ulrich; Träger, Frank","Novel tripod ligands for prickly self-assembled monolayers.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2767","2777","10.1039/b515727g","","","0.71073","MoKα","","0.0644","0.0403","","","0.086","0.0928","","","","","","0.947","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006946","12.785","0.003","8.6908","0.0017","21.083","0.004","90","","93.215","0.004","90","","2338.9","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cl2 N6 O10 Pd2 -","- C14 H24 Cl2 N6 O10 Pd2 -","- C56 H96 Cl8 N24 O40 Pd8 -","4","1","","Iwatsuki, Satoshi; Itou, Tomohiro; Ito, Hideaki; Mori, Hiroki; Uemura, Kuzuhiro; Yokomori, Yushinobu; Ishihara, Koji; Matsumoto, Kazuko","Isomerization reaction of head-to-head alpha-pyridonato-bridged ethylenediaminepalladium(II) binuclear complex, [Pd2(en)2(C5H4NO)2]2+, in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1497","1504","10.1039/b515743a","","","0.71073","MoKα","","0.0405","0.0342","","","0.0978","0.103","","","","","","1.109","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006947","10.5385","0.0002","11.3638","0.0002","25.4693","0.0004","90","","101.285","0.001","90","","2991.17","0.09","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","((C6H4(NCH2tBu)2YCl2Li(OEt2)2)2)","","","- C48 H92 Cl4 Li2 N4 O4 Y2 -","- C48 H92 Cl4 Li2 N4 O4 Y2 -","- C96 H184 Cl8 Li4 N8 O8 Y4 -","2","0.5","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Wei, Xue-Hong; Zhou, Meisu","Synthesis and structures of some heterometallic [(Li, Y)2, (M3, Ce) (M = Li or Na), (Li, Zr2) and (Li, Zr)4] oligomeric diamides derived from 1,2-bis(neopentylamino)benzene.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2991","2997","10.1039/b515790k","","x-ray","0.71073","MoKα","","0.0663","0.052","","","0.1126","0.1179","","","","","","1.183","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006948","10.2596","0.0004","15.3225","0.0008","18.3381","0.001","70.809","0.002","79.492","0.003","78.819","0.003","2648.9","0.2","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C80 H144 Cl12 Li4 N8 O4 Zr4 -","- C80 H144 Cl12 Li4 N8 O4 Zr4 -","- C80 H144 Cl12 Li4 N8 O4 Zr4 -","1","0.5","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Wei, Xue-Hong; Zhou, Meisu","Synthesis and structures of some heterometallic [(Li, Y)2, (M3, Ce) (M = Li or Na), (Li, Zr2) and (Li, Zr)4] oligomeric diamides derived from 1,2-bis(neopentylamino)benzene.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2991","2997","10.1039/b515790k","","x-ray","0.71073","MoKα","","0.0697","0.0486","","","0.106","0.1146","","","","","","1.114","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006949","10.7426","0.0006","23.545","0.002","22.916","0.002","90","","93.723","0.006","90","","5784","0.8","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Cl3 Li N6 O Zr2 -","- C52 H88 Cl3 Li N6 O Zr2 -","- C208 H352 Cl12 Li4 N24 O4 Zr8 -","4","1","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Wei, Xue-Hong; Zhou, Meisu","Synthesis and structures of some heterometallic [(Li, Y)2, (M3, Ce) (M = Li or Na), (Li, Zr2) and (Li, Zr)4] oligomeric diamides derived from 1,2-bis(neopentylamino)benzene.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2991","2997","10.1039/b515790k","","x-ray","0.71073","MoKα","","0.1951","0.0941","","","0.1604","0.1978","","","","","","1.091","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006950","20.7058","0.0002","17.731","0.0002","17.347","0.0002","90","","90","","90","","6368.68","0.12","173","2","173","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C50 H83 Ce Li1.82 N6 Na1.18 O0.5 -","- C50 H77 Ce Li1.824 N6 Na1.176 O0.5 -","- C200 H308 Ce4 Li7.296 N24 Na4.704 O2 -","4","0.5","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Wei, Xue-Hong; Zhou, Meisu","Synthesis and structures of some heterometallic [(Li, Y)2, (M3, Ce) (M = Li or Na), (Li, Zr2) and (Li, Zr)4] oligomeric diamides derived from 1,2-bis(neopentylamino)benzene.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2991","2997","10.1039/b515790k","","x-ray","0.71073","MoKα","","0.0591","0.0479","","","0.1505","0.1586","","","","","","1.109","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006951","28.8173","0.0008","17.9042","0.0004","12.1605","0.0004","90","","90","","90","","6274.2","0.3","173","2","173","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C52 H88 Ce N6 Na3 O -","- C52 H88 Ce N6 Na3 O -","- C208 H352 Ce4 N24 Na12 O4 -","4","0.5","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Wei, Xue-Hong; Zhou, Meisu","Synthesis and structures of some heterometallic [(Li, Y)2, (M3, Ce) (M = Li or Na), (Li, Zr2) and (Li, Zr)4] oligomeric diamides derived from 1,2-bis(neopentylamino)benzene.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2991","2997","10.1039/b515790k","","x-ray","0.71073","MoKα","","0.091","0.0763","","","0.2084","0.2177","","","","","","1.208","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006952","30.4296","0.0003","17.9713","0.0002","11.8585","0.0001","90","","90","","90","","6484.93","0.11","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C54 H92 Ce N6 Na3 -","- C54 H92 Ce N6 Na3 -","- C216 H368 Ce4 N24 Na12 -","4","0.5","","Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Wei, Xue-Hong; Zhou, Meisu","Synthesis and structures of some heterometallic [(Li, Y)2, (M3, Ce) (M = Li or Na), (Li, Zr2) and (Li, Zr)4] oligomeric diamides derived from 1,2-bis(neopentylamino)benzene.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2991","2997","10.1039/b515790k","","x-ray","0.71073","MoKα","","0.0602","0.0479","","","0.1495","0.1573","","","","","","1.173","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006953","8.739","0.001","13.455","0.001","18.443","0.001","95.74","0.01","97.55","0.01","106.71","0.01","2037.2","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 Cu3 N6 O19 -","- C32 H48 Cu3 N6 O19 -","- C64 H96 Cu6 N12 O38 -","2","1","","Doyle, Robert P.; Julve, Miguel; Lloret, Francesc; Nieuwenhuyzen, Mark; Kruger, Paul E.","Hydrogen-bond tuning of ferromagnetic interactions: synthesis, structure and magnetic properties of polynuclear copper(II) complexes incorporating p-block oxo-anions.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2081","2088","10.1039/b515889c","","","0.71073","MoKα","","0.0488","0.0409","","","0.1031","0.1084","","","","","","1.04","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006954","9.6485","0.0006","34.413","0.002","7.781","0.0005","90","","103.3","0.001","90","","2514.3","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Cu2 N4 O11 P -","- C20 H28 Cu2 N4 O11 P -","- C80 H112 Cu8 N16 O44 P4 -","4","1","","Doyle, Robert P.; Julve, Miguel; Lloret, Francesc; Nieuwenhuyzen, Mark; Kruger, Paul E.","Hydrogen-bond tuning of ferromagnetic interactions: synthesis, structure and magnetic properties of polynuclear copper(II) complexes incorporating p-block oxo-anions.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2081","2088","10.1039/b515889c","","","0.71073","MoKα","","0.05","0.0375","","","0.0773","0.0821","","","","","","0.981","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006955","13.225","0.0018","15.172","0.002","22.202","0.003","90","","90","","90","","4454.8","1","193.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H24 F18 N8 P3 Rh S6 -","- C34 H24 F18 N8 P3 Rh S6 -","- C136 H96 F72 N32 P12 Rh4 S24 -","4","1","","Hamazawa, Rika Tanaka; Nishioka, Takanori; Kinoshita, Isamu; Takui, Takeji; Santo, Ryoko; Ichimura, Akio","Thiacalix[3]pyridine produces a stable mononuclear rhodium(II) complex with mutual Jahn-Teller effect.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1374","1376","10.1039/b515926a","","","0.7107","MoKα","","","0.0495","","","","0.0764","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006956","11.487","0.003","20.884","0.005","7.724","0.002","90","","103.777","0.005","90","","1799.6","0.8","193.1","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C30 H18 F12 N6 P2 Rh S6 -","- C30 H18 F12 N6 P2 Rh S6 -","- C60 H36 F24 N12 P4 Rh2 S12 -","2","0.25","","Hamazawa, Rika Tanaka; Nishioka, Takanori; Kinoshita, Isamu; Takui, Takeji; Santo, Ryoko; Ichimura, Akio","Thiacalix[3]pyridine produces a stable mononuclear rhodium(II) complex with mutual Jahn-Teller effect.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1374","1376","10.1039/b515926a","","","0.7107","MoKα","","","0.0478","","","","0.1381","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006957","13.4562","0.0009","14.0801","0.001","22.273","0.002","90.304","0.013","104.791","0.012","118.129","0.012","3558.9","0.7","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H64 B2 N8 O4 Rh S6 -","- C80 H64 B2 N8 O4 Rh S6 -","- C160 H128 B4 N16 O8 Rh2 S12 -","2","1","","Hamazawa, Rika Tanaka; Nishioka, Takanori; Kinoshita, Isamu; Takui, Takeji; Santo, Ryoko; Ichimura, Akio","Thiacalix[3]pyridine produces a stable mononuclear rhodium(II) complex with mutual Jahn-Teller effect.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1374","1376","10.1039/b515926a","","","0.7107","MoKα","","","0.0675","","","","0.1385","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006958","11.3931","0.0017","13.966","0.002","20.879","0.003","101.008","0.004","94.527","0.004","93.488","0.003","3241.1","0.8","193.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H58 B2 N6 Rh S6 -","- C78 H58 B2 N6 Rh S6 -","- C156 H116 B4 N12 Rh2 S12 -","2","1","","Hamazawa, Rika Tanaka; Nishioka, Takanori; Kinoshita, Isamu; Takui, Takeji; Santo, Ryoko; Ichimura, Akio","Thiacalix[3]pyridine produces a stable mononuclear rhodium(II) complex with mutual Jahn-Teller effect.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1374","1376","10.1039/b515926a","","","0.7107","MoKα","","","0.0507","","","","0.0681","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006959","27.3088","0.0003","35.138","0.0004","21.2632","0.0003","90","","90","","90","","20403.7","0.4","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","compound dl157","","","- C54 H198 N9 Na2 O168 Rb W36 -","- C38 N6.6 Na2 O161.5 Rb W36 -","- C152 N26.4 Na8 O646 Rb4 W144 -","4","0.5","","Long, De-Liang; Brücher, Oliver; Streb, Carsten; Cronin, Leroy","Inorganic crown: the host-guest chemistry of a high nuclearity 'Celtic-ring' isopolyoxotungstate [H12W36O120]12-.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2852","2860","10.1039/b515935k","","","0.71073","MoKα","","0.085","0.046","","","0.0992","0.1146","","","","","","1.039","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006960","26.8369","0.001","34.8568","0.0013","21.0337","0.0008","90","","90","","90","","19675.9","1.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C54 H194 Cs N9 Na2 O166 W36 -","- C39.02 Cs N6.86 Na1.6 O162.5 W36 -","- C156.08 Cs4 N27.44 Na6.4 O650 W144 -","4","0.5","","Long, De-Liang; Brücher, Oliver; Streb, Carsten; Cronin, Leroy","Inorganic crown: the host-guest chemistry of a high nuclearity 'Celtic-ring' isopolyoxotungstate [H12W36O120]12-.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2852","2860","10.1039/b515935k","","","0.71073","MoKα","","0.0651","0.0386","","","0.087","0.1013","","","","","","1.061","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006961","27.0818","0.0004","35.1386","0.0004","21.212","0.0003","90","","90","","90","","20185.7","0.5","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Compound dl156","","","- C54 H198 N10 Na2 O166 W36 -","- C37.9 H84.9 N7.1 Na2 O175.4 W36 -","- C151.6 H339.6 N28.4 Na8 O701.6 W144 -","4","0.5","","Long, De-Liang; Brücher, Oliver; Streb, Carsten; Cronin, Leroy","Inorganic crown: the host-guest chemistry of a high nuclearity 'Celtic-ring' isopolyoxotungstate [H12W36O120]12-.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2852","2860","10.1039/b515935k","","","0.71073","MoKα","","0.1107","0.0474","","","0.0813","0.1001","","","","","","1.009","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006962","27.5918","0.0003","34.9442","0.0003","20.7727","0.0002","90","","90","","90","","20028.5","0.3","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Compound dl154","","","- C54 H197 N9 Na2 O168 Sr W36 -","- C42 H96 N7.4 Na2 O173.8 Sr W36 -","- C168 H384 N29.6 Na8 O695.2 Sr4 W144 -","4","0.5","","Long, De-Liang; Brücher, Oliver; Streb, Carsten; Cronin, Leroy","Inorganic crown: the host-guest chemistry of a high nuclearity 'Celtic-ring' isopolyoxotungstate [H12W36O120]12-.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2852","2860","10.1039/b515935k","","","0.71073","MoKα","","0.0701","0.037","","","0.073","0.0838","","","","","","1.039","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006963","27.3739","0.0004","35.1269","0.0006","20.952","0.0004","90","","90","","90","","20146.6","0.6","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Compound ob193","","","- C54 H197 Ba1.5 N9 Na O168 W36 -","- C32.4 Ba1.4 N7 Na1.2 O162.2 W36 -","- C129.6 Ba5.6 N28 Na4.8 O648.8 W144 -","4","0.5","","Long, De-Liang; Brücher, Oliver; Streb, Carsten; Cronin, Leroy","Inorganic crown: the host-guest chemistry of a high nuclearity 'Celtic-ring' isopolyoxotungstate [H12W36O120]12-.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2852","2860","10.1039/b515935k","","","0.71073","MoKα","","0.108","0.0652","","","0.156","0.178","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006964","17.085","0.002","22.631","0.003","26.233","0.004","89.94","0.01","86.25","0.01","85.37","0.01","10088","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H72 Cl6 Fe4 N6 O12 -","- C33 H72 Cl6 Fe4 N6 O12 -","- C264 H576 Cl48 Fe32 N48 O96 -","8","4","","Saalfrank, Rolf W.; Scheurer, Andreas; Bernt, Ingo; Heinemann, Frank W.; Postnikov, Andrei V.; Schünemann, Volker; Trautwein, Alfred X.; Alam, Mohammad S.; Rupp, Holger; Müller, Paul","The [Fe(III)[Fe(III)(L1)2]3] star-type single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2865","2874","10.1039/b515980f","","","0.71073","MoKα","","0.1586","0.0666","","","0.1223","0.1458","","","","","","1.021","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7006965","12.66","0.003","13.313","0.003","16.634","0.003","90","","98.47","0.03","90","","2773","1.1","293","2","210","2","","","","","","","Crystals were grown by slow evaporation of a methanolic solution","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H33 Cl3 N4 O4 Pd2 S -","- C20 H33 Cl3 N4 O4 Pd2 S -","- C80 H132 Cl12 N16 O16 Pd8 S4 -","4","1","","Siedle, Gabriel; Kersting, Berthold","Preparation and characterization of dinuclear Pd(II) complexes of binucleating tetraaza-thiophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2114","2126","10.1039/b516071E","","","0.71073","MoKα","","0.0894","0.042","","","0.0954","0.1326","","","","","","1.061","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006966","17.285","0.004","14.357","0.003","12.751","0.003","90","","90","","90","","3164.3","1.2","210","2","210","2","","","","","","","Crystals were grown by slow evaporation of a methanolic solution","7","P c a 21","P 2c -2ac","29","","","","- C21 H41 Cl3 N4 O9 Pd2 S -","- C21 H41 Cl3 N4 O9 Pd2 S -","- C84 H164 Cl12 N16 O36 Pd8 S4 -","4","1","","Siedle, Gabriel; Kersting, Berthold","Preparation and characterization of dinuclear Pd(II) complexes of binucleating tetraaza-thiophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2114","2126","10.1039/b516071E","","","0.71073","MoKα","","0.1133","0.054","","","0.1178","0.1554","","","","","","1.045","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006967","12.459","0.003","13.98","0.003","15.412","0.003","103.97","0.03","96.68","0.03","109.9","0.03","2390.8","1.2","210","2","210","2","","","","","","","Crystals were taken from the reaction mixture (acetonitrile)","6","P -1","-P 1","2","","","","- C48 H59 B N7 Pd2 S3 -","- C48 H53 B N7 Pd2 S3 -","- C96 H106 B2 N14 Pd4 S6 -","2","1","","Siedle, Gabriel; Kersting, Berthold","Preparation and characterization of dinuclear Pd(II) complexes of binucleating tetraaza-thiophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2114","2126","10.1039/b516071E","","","0.71073","MoKα","","0.0881","0.0487","","","0.1134","0.1315","","","","","","0.976","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006968","11.646","0.002","19.717","0.003","20.203","0.003","90","","94.976","0.003","90","","4621.6","1.3","210","2","210","2","","","","","","","Crystals were grown by slwo evaporation from a mixed acetonitrile/ethanol solvent system","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 B N11 Pd2 S -","- C46 H56 B N11 Pd2 S -","- C184 H224 B4 N44 Pd8 S4 -","4","1","","Siedle, Gabriel; Kersting, Berthold","Preparation and characterization of dinuclear Pd(II) complexes of binucleating tetraaza-thiophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2114","2126","10.1039/b516071E","","","0.71073","MoKα","","0.1226","0.0548","","","0.0928","0.1188","","","","","","1.011","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006969","23.689","0.005","11.289","0.002","27.918","0.006","90","","90.71","0.03","90","","7465","3","210","2","210","2","","","","","","","Crystals were grown by recrystallization from a mixed acetonitrile/propionitrile solvent system","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H79 Cl4 N13 O16 Pd4 S2 -","- C25 H39.5 Cl2 N6.5 O8 Pd2 S -","- C200 H316 Cl16 N52 O64 Pd16 S8 -","8","1","","Siedle, Gabriel; Kersting, Berthold","Preparation and characterization of dinuclear Pd(II) complexes of binucleating tetraaza-thiophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2114","2126","10.1039/b516071E","","","0.71073","MoKα","","0.1275","0.0581","","","0.1493","0.1893","","","","","","0.993","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006970","11.41","0.003","12.245","0.002","22.395","0.004","90","","102.2","0.03","90","","3058.3","1.1","210","2","210","2","","","","","","","Crystals were grown by recrystallization from a mixed acetone/methanol solvent system","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Cl2 N4 O10 Pd2 S -","- C22 H36 Cl2 N4 O10 Pd2 S -","- C88 H144 Cl8 N16 O40 Pd8 S4 -","4","1","","Siedle, Gabriel; Kersting, Berthold","Preparation and characterization of dinuclear Pd(II) complexes of binucleating tetraaza-thiophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2114","2126","10.1039/b516071E","","","0.71073","MoKα","","0.1105","0.0563","","","0.1187","0.1464","","","","","","1.066","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006971","11.351","0.002","11.518","0.002","12.189","0.002","85.7","0.03","84.74","0.03","83.01","0.03","1571.8","0.5","210","2","210","2","","","","","","","Crystals were grown by slow evaporation of a mixed chloroacetonitrile/methanol solvent system","7","P -1","-P 1","2","","","","- C22 H36 Cl3 N5 O9 Pd2 S -","- C22 H36 Cl3 N5 O9 Pd2 S -","- C44 H72 Cl6 N10 O18 Pd4 S2 -","2","1","","Siedle, Gabriel; Kersting, Berthold","Preparation and characterization of dinuclear Pd(II) complexes of binucleating tetraaza-thiophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2114","2126","10.1039/b516071E","","","0.71073","MoKα","","0.0623","0.044","","","0.1262","0.1396","","","","","","1.049","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006972","12.375","0.002","13.557","0.003","17.31","0.003","74.396","0.003","78.886","0.003","62.886","0.003","2481.3","0.8","210","2","210","2","","","","","","","Crystals were grown by recrystallization from a mixed acetonitrile/ethanol solvent system","6","P -1","-P 1","2","","","","- C56 H63 B N4 Pd2 S -","- C56 H63 B N4 Pd2 S -","- C112 H126 B2 N8 Pd4 S2 -","2","1","","Siedle, Gabriel; Kersting, Berthold","Preparation and characterization of dinuclear Pd(II) complexes of binucleating tetraaza-thiophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2114","2126","10.1039/b516071E","","","0.71073","MoKα","","0.1002","0.0483","","","0.0905","0.1174","","","","","","1.019","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006973","20.807","0.003","11.012","0.0014","17.781","0.002","90","","94.489","0.002","90","","4061.6","0.9","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H51 Cl2 N5 -","- C44 H51 Cl2 N5 -","- C176 H204 Cl8 N20 -","4","1","","Champouret, Yohan D. M.; Maréchal, Jean-Didier; Dadhiwala, Ishaq; Fawcett, John; Palmer, Donna; Singh, Kuldip; Solan, Gregory A.","Mono- vs. bi-metallic assembly on a bulky bis(imino)terpyridine framework: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2350","2361","10.1039/b516083a","","","0.71073","MoKα","","0.097","0.0685","","","0.1853","0.2148","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006974","15.1102","0.0009","15.1102","0.0009","18.4635","0.0015","90","","90","","90","","4215.6","0.5","160","2","160","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C41 H51 Cl2 Fe N5 O3 -","- C41 H45 Cl2 Fe N5 O3 -","- C164 H180 Cl8 Fe4 N20 O12 -","4","0.5","","Champouret, Yohan D. M.; Maréchal, Jean-Didier; Dadhiwala, Ishaq; Fawcett, John; Palmer, Donna; Singh, Kuldip; Solan, Gregory A.","Mono- vs. bi-metallic assembly on a bulky bis(imino)terpyridine framework: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2350","2361","10.1039/b516083a","","","0.71073","MoKα","","0.0958","0.0746","","","0.2266","0.2358","","","","","","1.018","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006975","14.911","0.0015","14.911","0.0015","19.143","0.003","90","","90","","90","","4256.2","0.9","150","2","150","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C43 H48 Br2 N6 Ni -","- C41 H45 Br2 N5 Ni -","- C164 H180 Br8 N20 Ni4 -","4","0.5","","Champouret, Yohan D. M.; Maréchal, Jean-Didier; Dadhiwala, Ishaq; Fawcett, John; Palmer, Donna; Singh, Kuldip; Solan, Gregory A.","Mono- vs. bi-metallic assembly on a bulky bis(imino)terpyridine framework: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2350","2361","10.1039/b516083a","","","0.71073","MoKα","","0.1095","0.0503","","","0.1074","0.1204","","","","","","0.848","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006976","15.044","0.007","15.044","0.007","18.659","0.012","90","","90","","90","","4223","4","150","2","150","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C41 H45 Cl2 N5 Zn -","- C41 H45 Cl2 N5 Zn -","- C164 H180 Cl8 N20 Zn4 -","4","0.5","","Champouret, Yohan D. M.; Maréchal, Jean-Didier; Dadhiwala, Ishaq; Fawcett, John; Palmer, Donna; Singh, Kuldip; Solan, Gregory A.","Mono- vs. bi-metallic assembly on a bulky bis(imino)terpyridine framework: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2350","2361","10.1039/b516083a","","","0.71073","MoKα","","0.0959","0.0807","","","0.2079","0.2221","","","","","","0.987","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006977","11.257","0.002","12.916","0.002","19.574","0.004","84.66","0.003","84.591","0.003","67.688","0.003","2616.1","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H57 Br2 Cl6 N7 Ni -","- C45 H51 Br2 Cl6 N5 Ni -","- C90 H102 Br4 Cl12 N10 Ni2 -","2","1","","Champouret, Yohan D. M.; Maréchal, Jean-Didier; Dadhiwala, Ishaq; Fawcett, John; Palmer, Donna; Singh, Kuldip; Solan, Gregory A.","Mono- vs. bi-metallic assembly on a bulky bis(imino)terpyridine framework: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2350","2361","10.1039/b516083a","","","0.71073","MoKα","","0.057","0.0394","","","0.0873","0.0909","","","","","","0.896","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7006978","17.05","0.006","18.307","0.007","15.606","0.006","90","","110.109","0.006","90","","4574","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H52 Cl4 Fe2 N6 -","- C45 H52 Cl4 Fe2 N6 -","- C180 H208 Cl16 Fe8 N24 -","4","1","","Champouret, Yohan D. M.; Maréchal, Jean-Didier; Dadhiwala, Ishaq; Fawcett, John; Palmer, Donna; Singh, Kuldip; Solan, Gregory A.","Mono- vs. bi-metallic assembly on a bulky bis(imino)terpyridine framework: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2350","2361","10.1039/b516083a","","","0.71073","MoKα","","0.1592","0.0839","","","0.1675","0.1984","","","","","","0.911","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006979","21.921","0.006","16.246","0.005","28.685","0.008","90","","90","","90","","10216","5","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C44 H55 Br4 Cl3 N5 Ni2 O2 -","- C44 H52 Br4 Cl3 N5 Ni2 O2 -","- C352 H416 Br32 Cl24 N40 Ni16 O16 -","8","1","","Champouret, Yohan D. M.; Maréchal, Jean-Didier; Dadhiwala, Ishaq; Fawcett, John; Palmer, Donna; Singh, Kuldip; Solan, Gregory A.","Mono- vs. bi-metallic assembly on a bulky bis(imino)terpyridine framework: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2350","2361","10.1039/b516083a","","","0.71073","MoKα","","0.2179","0.1331","","","0.3076","0.3433","","","","","","1.102","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7006980","17.026","0.004","18.321","0.004","15.777","0.003","90","","111.599","0.004","90","","4575.8","1.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H52 Cl4 N6 Zn2 -","- C45 H52 Cl4 N6 Zn2 -","- C180 H208 Cl16 N24 Zn8 -","4","1","","Champouret, Yohan D. M.; Maréchal, Jean-Didier; Dadhiwala, Ishaq; Fawcett, John; Palmer, Donna; Singh, Kuldip; Solan, Gregory A.","Mono- vs. bi-metallic assembly on a bulky bis(imino)terpyridine framework: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2350","2361","10.1039/b516083a","","","0.71073","MoKα","","0.085","0.0473","","","0.0755","0.0841","","","","","","0.846","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006981","14.088","0.007","7.523","0.004","34.712","0.017","90","","97.751","0.01","90","","3645","3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BPAIP.4HBr","","","- C53 H74 Br8 N10 O6 -","- C53 H74 Br8 N10 O6 -","- C106 H148 Br16 N20 O12 -","2","0.5","","Pesavento, Russell P.; Pratt, Derek A.; Jeffers, Jerry; van der Donk, Wilfred A.","Model studies of the Cu(B) site of cytochrome c oxidase utilizing a Zn(II) complex containing an imidazole-phenol cross-linked ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3326","3337","10.1039/b516090a","","","0.71073","MoKα","","0.1896","0.0866","","","0.1898","0.2255","","","","","","0.963","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7006982","12.2968","0.0011","13.0128","0.0012","13.7299","0.0012","104.243","0.0015","100.5","0.0014","95.9048","0.0014","2068.5","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H51 P3 Si3 -","- C44 H51 P3 Si3 -","- C88 H102 P6 Si6 -","2","1","","Friesen, Dawn M.; Bowles, Owen J.; McDonald, Robert; Rosenberg, Lisa","Tuning ""kappticity"" of tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2671","2682","10.1039/b516127d","","","0.71073","MoKα","","0.0692","0.0461","","","0.1149","0.126","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006983","9.3209","0.0009","9.3209","0.0009","11.143","0.002","90","","90","","120","","838.39","0.19","193","2","193","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C8 H21 Br3 Si3 -","- C8 H21 Br3 Si3 -","- C16 H42 Br6 Si6 -","2","0.166667","","Friesen, Dawn M.; Bowles, Owen J.; McDonald, Robert; Rosenberg, Lisa","Tuning ""kappticity"" of tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2671","2682","10.1039/b516127d","","","0.71073","MoKα","","0.033","0.0254","","","0.0544","0.0575","","","","","","1.145","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006984","14.8482","0.0008","14.8803","0.0008","23.9239","0.0013","90","","94.4133","0.001","90","","5270.2","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H57 Mo O4 P3 Si3 -","- C54 H57 Mo O4 P3 Si3 -","- C216 H228 Mo4 O16 P12 Si12 -","4","1","","Friesen, Dawn M.; Bowles, Owen J.; McDonald, Robert; Rosenberg, Lisa","Tuning ""kappticity"" of tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2671","2682","10.1039/b516127d","","","0.71073","MoKα","","0.0402","0.031","","","0.078","0.0831","","","","","","1.035","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006985","17.1523","0.0003","17.1523","0.0003","9.2856","0.0004","90","","90","","120","","2365.84","0.12","193","2","193","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C22 H49 Mo O3 P3 Si3 -","- C22 H49 Mo O3 P3 Si3 -","- C66 H147 Mo3 O9 P9 Si9 -","3","0.333333","","Friesen, Dawn M.; Bowles, Owen J.; McDonald, Robert; Rosenberg, Lisa","Tuning ""kappticity"" of tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2671","2682","10.1039/b516127d","","","0.71073","MoKα","","0.0178","0.0178","","","0.0445","0.0445","","","","","","1.108","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006986","11.508","0.0005","17.2076","0.0007","16.6511","0.0007","90","","90.3365","0.0007","90","","3297.3","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H51 Mo O3 P3 Si3 -","- C23 H51 Mo O3 P3 Si3 -","- C92 H204 Mo4 O12 P12 Si12 -","4","1","","Friesen, Dawn M.; Bowles, Owen J.; McDonald, Robert; Rosenberg, Lisa","Tuning ""kappticity"" of tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2671","2682","10.1039/b516127d","","","0.71073","MoKα","","0.0225","0.021","","","0.0572","0.0587","","","","","","1.064","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006987","18.637","0.0008","15.3389","0.0007","18.6134","0.0008","90","","116.2","0.001","90","","4774.3","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis(2-tert-butylindenyl)zirconium(IV) Dichloride","","","- C26 H30 Cl2 Zr -","- C26 H30 Cl2 Zr -","- C208 H240 Cl16 Zr8 -","8","2","","Möller, Andreas C; Blom, Richard; Heyn, Richard H.; Swang, Ole; Kopf, Jürgen; Seraidaris, Tanja","A general one-pot synthesis for elusive 2-substituted indenes: does bis[2-(tert-butyl)indenyl]zirconium(IV) dichloride/MAO polymerise ethene?","Dalton transactions (Cambridge, England : 2003)","2006","","17","2098","2105","10.1039/b516130d","","","0.71073","MoKα","","0.0489","0.0359","","","0.0702","0.0735","","","","","","1.001","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006988","14.2945","0.0011","14.4469","0.0011","34.637","0.003","90","","101.088","0.002","90","","7019.4","1","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H98 Br Cl5 Cu N8 O29 -","- C48 H98 Br Cl5 Cu N8 O29 -","- C192 H392 Br4 Cl20 Cu4 N32 O116 -","4","1","","An, Yan; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan","Double-strand DNA cleavage by copper complexes of 2,2'-dipyridyl with electropositive pendants.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2066","2071","10.1039/b516132k","","","0.71073","MoKα","","0.1078","0.0747","","","0.1851","0.2074","","","","","","1.029","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006989","17.405","0.004","36.5","0.009","14.163","0.004","90","","90","","90","","8998","4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C72 H128 Br Cl5 Cu N8 O20 -","- C72 H128 Br Cl5 Cu N8 O20 -","- C288 H512 Br4 Cl20 Cu4 N32 O80 -","4","1","","An, Yan; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan","Double-strand DNA cleavage by copper complexes of 2,2'-dipyridyl with electropositive pendants.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2066","2071","10.1039/b516132k","","","0.71073","MoKα","","0.1462","0.0915","","","0.2448","0.3021","","","","","","1.034","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006990","10.695","0.003","23.306","0.006","17.182","0.004","90","","95.975","0.004","90","","4259.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H54 N2 Ni P -","- C49 H54 N2 Ni P -","- C196 H216 N8 Ni4 P4 -","4","1","","Wang, Hai-Yu; Meng, Xia; Jin, Guo-Xin","Synthesis, molecular structure and norbornene polymerization behavior of three-coordinate nickel(I) complexes with chelating anilido-imine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2579","2585","10.1039/b516203c","","","0.71073","MoKα","","0.1343","0.0883","","","0.2292","0.2658","","","","","","1.007","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006991","12.006","0.005","17.966","0.007","18.475","0.007","90","","102.793","0.005","90","","3886","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 N2 Ni P -","- C45 H46 N2 Ni P -","- C180 H184 N8 Ni4 P4 -","4","1","","Wang, Hai-Yu; Meng, Xia; Jin, Guo-Xin","Synthesis, molecular structure and norbornene polymerization behavior of three-coordinate nickel(I) complexes with chelating anilido-imine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2579","2585","10.1039/b516203c","","","0.71073","MoKα","","0.0587","0.0421","","","0.1076","0.1182","","","","","","1.03","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006992","11.05","0.003","19.819","0.005","13.814","0.003","90","","91.116","0.004","90","","3024.7","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 N4 Ni -","- C38 H30 N4 Ni -","- C152 H120 N16 Ni4 -","4","1","","Wang, Hai-Yu; Meng, Xia; Jin, Guo-Xin","Synthesis, molecular structure and norbornene polymerization behavior of three-coordinate nickel(I) complexes with chelating anilido-imine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2579","2585","10.1039/b516203c","","","0.71073","MoKα","","0.0989","0.0436","","","0.067","0.0774","","","","","","0.799","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006993","13.345","0.003","8.431","0.004","41.094","0.004","90","","90","","90","","4624","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H25 B F2 N4 O4 -","- C23 H25 B F2 N4 O4 -","- C184 H200 B8 F16 N32 O32 -","8","1","","Ziessel, Raymond; Bonardi, Laure; Ulrich, Gilles","Boron dipyrromethene dyes: a rational avenue for sensing and light emitting devices.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2913","2918","10.1039/b516222j","","x-ray","1.5418","Cukα","","0.076","0.051","","","0.1363","0.1529","","","","","","1.035","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006994","10.1526","0.0002","18.4259","0.0003","18.6888","0.0003","90","","90","","90","","3496.13","0.11","150","2","150","2","","","","","","","L. Matteau reation LM123c","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H45 Cl Cu N7 O3 -","- C33 H45 Cl Cu N7 O3 -","- C132 H180 Cl4 Cu4 N28 O12 -","4","1","","Mareque Rivas, Juan C.; Hinchley, Sarah L.; Metteau, Laurent; Parsons, Simon","The strength of hydrogen bonding to metal-bound ligands can contribute to changes in the redox behaviour of metal centres.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2316","2322","10.1039/b516234c","","","0.71073","MoKα","","0.0664","0.0555","","","0.1184","0.123","","","","","","1.072","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7006995","12.913","0.003","17.185","0.004","19.212","0.004","90","","96.383","0.003","90","","4236.9","1.6","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H58 Li2 N4 O4 Si -","- C44 H58 Li2 N4 O4 Si -","- C176 H232 Li8 N16 O16 Si4 -","4","0.5","","Bai, Sheng-Di; Guo, Jian-Ping; Liu, Dian-Sheng","A convenient route to silyl linked bis(amidinate) ligands and synthesis of group(I) metal derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2244","2250","10.1039/b516283a","","","0.71073","MoKα","","0.1059","0.0831","","","0.1754","0.1855","","","","","","1.174","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006996","20.4738","0.0013","11.3967","0.0007","21.0692","0.0012","90","","101.957","0.002","90","","4809.5","0.5","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C96 H132 Li4 N8 O4 Si2 -","- C96 H132 Li4 N8 O4 Si2 -","- C192 H264 Li8 N16 O8 Si4 -","2","0.5","","Bai, Sheng-Di; Guo, Jian-Ping; Liu, Dian-Sheng","A convenient route to silyl linked bis(amidinate) ligands and synthesis of group(I) metal derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2244","2250","10.1039/b516283a","","","0.71073","MoKα","","0.1687","0.0613","","","0.1497","0.1967","","","","","","0.897","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006997","14.05","0.002","16.884","0.003","21.878","0.003","90","","90","","90","","5189.9","1.4","203","2","203","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H68 Li4 N8 Si2 -","- C48 H68 Li4 N8 Si2 -","- C192 H272 Li16 N32 Si8 -","4","1","","Bai, Sheng-Di; Guo, Jian-Ping; Liu, Dian-Sheng","A convenient route to silyl linked bis(amidinate) ligands and synthesis of group(I) metal derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2244","2250","10.1039/b516283a","","","0.71073","MoKα","","0.081","0.0741","","","0.1712","0.1757","","","","","","1.103","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006998","10.7863","0.0017","10.3647","0.0016","16.405","0.003","90","","91.373","0.002","90","","1833.5","0.5","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 Li2 N4 O2 Si2 -","- C36 H54 Li2 N4 O2 Si2 -","- C72 H108 Li4 N8 O4 Si4 -","2","0.5","","Bai, Sheng-Di; Guo, Jian-Ping; Liu, Dian-Sheng","A convenient route to silyl linked bis(amidinate) ligands and synthesis of group(I) metal derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2244","2250","10.1039/b516283a","","","0.71073","MoKα","","0.0591","0.0521","","","0.1321","0.1364","","","","","","1.072","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006999","22.975","0.009","21.168","0.008","10.86","0.004","90","","112.372","0.005","90","","4884","3","203","2","203","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H66 N4 Na2 O4 Si -","- C48 H66 N4 Na2 O4 Si -","- C192 H264 N16 Na8 O16 Si4 -","4","1","","Bai, Sheng-Di; Guo, Jian-Ping; Liu, Dian-Sheng","A convenient route to silyl linked bis(amidinate) ligands and synthesis of group(I) metal derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2244","2250","10.1039/b516283a","","","0.71073","MoKα","","0.0951","0.0732","","","0.1824","0.1981","","","","","","1.067","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7007000","15.796","0.004","9.658","0.002","19.23","0.004","90","","104.55","0.02","90","","2839.6","1.1","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 La N7 O11 -","- C24 H28 La N7 O11 -","- C96 H112 La4 N28 O44 -","4","1","","Bag, Pradip; Flörke, Ulrich; Nag, Kamalaksha","Synthesis and structural characterization of lanthanide(III) nitrate complexes of a tetraiminodiphenol macrocycle in the solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3236","3248","10.1039/b516306d","","","0.71073","MoKα","","0.1119","0.0589","","","0.1435","0.1621","","","","","","1.105","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007001","15.594","0.002","9.5218","0.0012","18.669","0.002","90","","103.532","0.003","90","","2695.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Ho N7 O11 -","- C24 H28 Ho N7 O11 -","- C96 H112 Ho4 N28 O44 -","4","1","","Bag, Pradip; Flörke, Ulrich; Nag, Kamalaksha","Synthesis and structural characterization of lanthanide(III) nitrate complexes of a tetraiminodiphenol macrocycle in the solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3236","3248","10.1039/b516306d","","","0.71073","MoKα","","0.0588","0.0441","","","0.0779","0.082","","","","","","0.955","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007002","9.6659","0.0008","10.086","0.0008","15.61","0.0013","94.75","0.002","105.067","0.002","97.636","0.002","1445.5","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Lu N7 O12 -","- C24 H28 Lu N7 O12 -","- C48 H56 Lu2 N14 O24 -","2","1","","Bag, Pradip; Flörke, Ulrich; Nag, Kamalaksha","Synthesis and structural characterization of lanthanide(III) nitrate complexes of a tetraiminodiphenol macrocycle in the solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3236","3248","10.1039/b516306d","","","0.71073","MoKα","","0.0903","0.0512","","","0.0907","0.1043","","","","","","0.913","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007003","12.4493","0.0008","14.5027","0.001","21.6089","0.0015","90","","102.087","0.001","90","","3815","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H41 Mo N O8 P2 -","- C38 H41 Mo N O8 P2 -","- C152 H164 Mo4 N4 O32 P8 -","4","1","","Prabusankar, Ganesan; Palanisami, Nallasamy; Murugavel, Ramaswamy; Butcher, Ray J.","Sterically encumbered acyclic diphosphazanes: synthesis, conformations and coordination behavior.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2140","2146","10.1039/b516316a","","","0.71073","MoKα","","0.066","0.0475","","","0.1002","0.1081","","","","","","1.13","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007004","25.91","0.005","8.8881","0.0018","22.878","0.005","90","","106.65","0.03","90","","5048","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H76 N O4 P2 -","- C50 H76 N O4 P2 -","- C200 H304 N4 O16 P8 -","4","0.5","","Prabusankar, Ganesan; Palanisami, Nallasamy; Murugavel, Ramaswamy; Butcher, Ray J.","Sterically encumbered acyclic diphosphazanes: synthesis, conformations and coordination behavior.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2140","2146","10.1039/b516316a","","","0.71073","MoKα","","0.1415","0.0985","","","0.2365","0.2623","","","","","","1.061","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007005","9.3484","0.001","12.216","0.0009","15.4244","0.0011","97.828","0.006","96.701","0.007","90.327","0.007","1732.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H51 Cl2 N O2 P2 -","- C32 H51 Cl2 N O2 P2 -","- C64 H102 Cl4 N2 O4 P4 -","2","1","","Prabusankar, Ganesan; Palanisami, Nallasamy; Murugavel, Ramaswamy; Butcher, Ray J.","Sterically encumbered acyclic diphosphazanes: synthesis, conformations and coordination behavior.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2140","2146","10.1039/b516316a","","","0.71073","MoKα","","0.0712","0.0485","","","0.1207","0.1311","","","","","","1.054","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007006","12.1004","0.0007","10.9409","0.0009","12.6202","0.0013","90","","102.384","0.007","90","","1631.9","0.2","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H41 N O4 P2 -","- C34 H36 N O4 P2 -","- C68 H72 N2 O8 P4 -","2","0.5","","Prabusankar, Ganesan; Palanisami, Nallasamy; Murugavel, Ramaswamy; Butcher, Ray J.","Sterically encumbered acyclic diphosphazanes: synthesis, conformations and coordination behavior.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2140","2146","10.1039/b516316a","","","0.71073","MoKα","","0.1027","0.0481","","","0.1297","0.1519","","","","","","1.033","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007007","17.0569","0.0002","17.5875","0.0002","32.345","0.0004","90","","90","","90","","9703.1","0.2","150","","150","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Fe N2 O -","- C28 H32 Fe N2 O -","- C448 H512 Fe16 N32 O16 -","16","4","","Llewellyn, Simon A.; Green, Malcolm L. H.; Green, Jennifer C.; Cowley, Andrew R.","Migratory insertion in N-heterocyclic carbene-containing Fe carbonyl complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2535","2541","10.1039/b516328e","","","0.71073","MoKα","","0.0816","0.0408","","0.0807","0.0402","0.0402","","","","","","1.1142","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007008","14.549","0.0018","14.549","0.0018","17.767","0.004","90","","90","","120","","3256.9","0.9","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C8 H4 O7.33 Sc -","- C8 H4 O7.33333 Sc -","- C48 H24 O44 Sc6 -","6","0.25","","Dietzel, Pascal D. C.; Blom, Richard; Fjellvåg, Helmer","A scandium coordination polymer constructed from trimeric octahedral building blocks and 2,5-dihydroxyterephthalate.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2055","2057","10.1039/b516365j","","","0.71073","MoKα","","0.0705","0.0466","","","0.1236","0.131","","","","","","0.906","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007009","10.49","0.003","10.588","0.002","16.691","0.004","104.17","0.03","90.62","0.02","116.28","0.03","1596.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(PtMeCl(1,1'-bis(diphenylphosphino)ferrocene)).(0.5H2O)","","","- C35 H31 Cl Fe O0.5 P2 Pt -","- C35 H31 Cl Fe O0.5 P2 Pt -","- C70 H62 Cl2 Fe2 O P4 Pt2 -","2","1","","Scolaro, Luigi Monsù; Plutino, Maria Rosaria; Romeo, Andrea; Romeo, Raffaello; Ricciardi, Giampaolo; Belviso, Sandra; Albinati, Alberto","Platinum(II) complexes bearing 1,1'-bis(diphenylphosphino)ferrocene as building blocks for functionalized redox active porphyrins.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2551","2559","10.1039/b516391a","","","0.71073","MoKα","","0.0475","0.0388","","","0.1088","0.1179","","","","","","1.134","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7007010","8.284","0.008","21.524","0.012","11.432","0.003","90","","105.19","0.02","90","","1967","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Cu4 N16 O8 -","- C26 H44 Cu4 N16 O8 -","- C52 H88 Cu8 N32 O16 -","2","0.5","","El Fallah, M. Salah; Badyine, Fatima; Vicente, Ramon; Escuer, Albert; Solans, Xavier; Font-Bardia, Mercè","Complementarity and countercomplementarity in polynuclear copper(II) complexes with R2NCH2CH(OH)CH2NR2 (R = H, CH3): crystal structures and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2934","2942","10.1039/b516392g","","","0.71073","MoKα","","0.1282","0.0494","","","0.1026","0.1257","","","","","","1.039","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007011","8.184","0.005","8.792","0.002","10.887","0.002","75.65","0.02","76.55","0.03","74.36","0.03","719.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Cu2 N8 O3 -","- C9 H12 Cu2 N8 O3 -","- C18 H24 Cu4 N16 O6 -","2","1","","El Fallah, M. Salah; Badyine, Fatima; Vicente, Ramon; Escuer, Albert; Solans, Xavier; Font-Bardia, Mercè","Complementarity and countercomplementarity in polynuclear copper(II) complexes with R2NCH2CH(OH)CH2NR2 (R = H, CH3): crystal structures and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2934","2942","10.1039/b516392g","","","0.71073","MoKα","","0.0711","0.0482","","","0.1198","0.1306","","","","","","1.047","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007012","8.455","0.004","9.114","0.009","12.744","0.008","104.62","0.08","99.86","0.06","106.1","0.08","881.7","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H20 Cu2 N4 O3 S2 -","- C11 H20 Cu2 N4 O3 S2 -","- C22 H40 Cu4 N8 O6 S4 -","2","1","","El Fallah, M. Salah; Badyine, Fatima; Vicente, Ramon; Escuer, Albert; Solans, Xavier; Font-Bardia, Mercè","Complementarity and countercomplementarity in polynuclear copper(II) complexes with R2NCH2CH(OH)CH2NR2 (R = H, CH3): crystal structures and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2934","2942","10.1039/b516392g","","","0.71073","MoKα","","0.417","0.0579","","","0.082","0.1304","","","","","","0.799","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7007013","8.148","0.014","8.18","0.02","11.44","0.014","69.38","0.16","80.36","0.17","80.36","0.17","699","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu2 N4 O3 S2 -","- C7 H8 Cu2 N4 O3 S2 -","- C14 H16 Cu4 N8 O6 S4 -","2","1","","El Fallah, M. Salah; Badyine, Fatima; Vicente, Ramon; Escuer, Albert; Solans, Xavier; Font-Bardia, Mercè","Complementarity and countercomplementarity in polynuclear copper(II) complexes with R2NCH2CH(OH)CH2NR2 (R = H, CH3): crystal structures and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2934","2942","10.1039/b516392g","","","0.71073","MoKα","","0.2019","0.0433","","","0.0979","0.1434","","","","","","0.823","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007014","20.45","0.04","11.36","0.03","6.429","0.01","90","","90","","90","","1494","5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H17 Cu2 N11 O -","- C7 H17 Cu2 N11 O -","- C28 H68 Cu8 N44 O4 -","4","1","","El Fallah, M. Salah; Badyine, Fatima; Vicente, Ramon; Escuer, Albert; Solans, Xavier; Font-Bardia, Mercè","Complementarity and countercomplementarity in polynuclear copper(II) complexes with R2NCH2CH(OH)CH2NR2 (R = H, CH3): crystal structures and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2934","2942","10.1039/b516392g","","","0.71073","MoKα","","0.1257","0.0731","","","0.1716","0.1999","","","","","","1.039","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007015","9.9098","0.0008","15.8698","0.0013","16.8149","0.0013","90","","96.613","0.01","90","","2626.8","0.4","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 B Cl N6 Nb -","- C23 H35 B Cl N6 Nb -","- C92 H140 B4 Cl4 N24 Nb4 -","4","1","","Besora, Maria; Maseras, Feliu; McGrady, John E.; Oulié, Pascal; Dinh, Duy Hai; Duhayon, Carine; Etienne, Michel","Structure and bonding in a cyclobutyl tris(pyrazolyl)boratoniobium complex and the variation in agostic behaviour with ring size in the series Tp(Me2)NbCl(c-C(n)H(2n-1))(MeC[triple bond]CMe), n = 3-6.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2362","2367","10.1039/b516393e","","","0.71073","MoKα","","0.0433","0.034","","0.0426","0.0419","0.0419","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007016","13.307","0.002","17.158","0.003","16.924","0.003","90","","96.775","0.003","90","","3837.1","1.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H53 N9 O15 Pt2 -","- C20.5 H53 N9 O15 Pt2 -","- C82 H212 N36 O60 Pt8 -","4","1","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and characterization of amidate bridged dimeric and oligomeric platinum complexes having short platinum-platinum interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3445","3453","10.1039/b516410a","","","0.71073","MoKα","","0.0525","0.0393","","","0.1027","0.11","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007017","10.22","0.002","14.711","0.003","14.962","0.003","106.182","0.003","109.348","0.003","98.395","0.003","1966.6","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C23.5 H53 N9 O13.5 Pt2 -","- C23.5 H53 N9 O13.5 Pt2 -","- C47 H106 N18 O27 Pt4 -","2","1","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and characterization of amidate bridged dimeric and oligomeric platinum complexes having short platinum-platinum interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3445","3453","10.1039/b516410a","","","0.71073","MoKα","","0.0611","0.0468","","","0.1236","0.1326","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007018","12.807","0.002","13.486","0.002","21.694","0.004","90","","91.337","0.003","90","","3745.9","1.1","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H104 Cl4 N12 O24 Pt4 -","- C44 H104 Cl4 N12 O24 Pt4 -","- C88 H208 Cl8 N24 O48 Pt8 -","2","0.5","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and characterization of amidate bridged dimeric and oligomeric platinum complexes having short platinum-platinum interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3445","3453","10.1039/b516410a","","","0.71073","MoKα","","0.0537","0.0424","","","0.1051","0.1115","","","","","","1.077","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007019","7.3961","0.0008","10.0151","0.0011","17.565","0.0019","85.266","0.002","82.683","0.002","76.947","0.002","1255.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H34 Cl2 N6 O10 Pt2 -","- C12 H34 Cl2 N6 O10 Pt2 -","- C24 H68 Cl4 N12 O20 Pt4 -","2","1","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and characterization of amidate bridged dimeric and oligomeric platinum complexes having short platinum-platinum interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3445","3453","10.1039/b516410a","","","0.71073","MoKα","","0.0573","0.0517","","","0.1362","0.142","","","","","","1.016","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007020","15.4352","0.0009","15.4352","0.0009","12.5412","0.0014","90","","90","","90","","2987.9","0.4","123","2","123","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C12 H34.5 N10 O10.25 Pt3 -","- C12 H34.5 N10 O10.25 Pt3 -","- C48 H138 N40 O41 Pt12 -","4","0.5","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and characterization of amidate bridged dimeric and oligomeric platinum complexes having short platinum-platinum interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3445","3453","10.1039/b516410a","","","0.71073","MoKα","","0.0542","0.04","","","0.0969","0.1055","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007021","10.644","0.005","11.104","0.005","11.577","0.005","113.877","0.005","104.49","0.006","103.086","0.006","1125.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H60 N12 O16 Pd Pt2 -","- C26 H60 N12 O16 Pd Pt2 -","- C26 H60 N12 O16 Pd Pt2 -","1","0.5","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and characterization of amidate bridged dimeric and oligomeric platinum complexes having short platinum-platinum interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3445","3453","10.1039/b516410a","","","0.71073","MoKα","","0.0617","0.0564","","","0.1558","0.1615","","","","","","1.076","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007022","10.513","0.003","16.117","0.004","10.945","0.003","90","","90","","90","","1854.5","0.9","123","2","123","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Cl2 N6 O11 Pt2 -","- C22 H50 Cl2 N6 O11 Pt2 -","- C44 H100 Cl4 N12 O22 Pt4 -","2","0.5","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and characterization of amidate bridged dimeric and oligomeric platinum complexes having short platinum-platinum interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3445","3453","10.1039/b516410a","","","0.71073","MoKα","","0.0601","0.0523","","","0.1324","0.1375","","","","","","1.048","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007023","12.795","0.007","13.271","0.007","14.866","0.008","94.157","0.006","94.387","0.006","118.081","0.007","2204","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H50 N12 O21 Pt2 -","- C22 H50 N12 O21 Pt2 -","- C44 H100 N24 O42 Pt4 -","2","1","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and characterization of amidate bridged dimeric and oligomeric platinum complexes having short platinum-platinum interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3445","3453","10.1039/b516410a","","","0.71073","MoKα","","0.1011","0.0651","","","0.1622","0.1858","","","","","","1.06","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007024","9.764","0.006","11.444","0.007","15.52","0.01","73.253","0.007","76.759","0.007","68.931","0.008","1534.3","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H70 Cl8 N8 O7 Pt5 -","- C32.5 H70 Cl8 N8 O6.5 Pt5 -","- C32.5 H70 Cl8 N8 O6.5 Pt5 -","1","0.5","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and characterization of amidate bridged dimeric and oligomeric platinum complexes having short platinum-platinum interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3445","3453","10.1039/b516410a","","","0.71073","MoKα","","0.0498","0.048","","","0.1307","0.1333","","","","","","1.039","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007025","17.858","0.012","9.697","0.007","16.759","0.012","90","","105.043","0.008","90","","2803","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H32.38 Cl2 N6 O10.19 Pt2 -","- C10 H32 Cl2 N6 O10.19 Pt2 -","- C40 H128 Cl8 N24 O40.76 Pt8 -","4","0.5","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and characterization of amidate bridged dimeric and oligomeric platinum complexes having short platinum-platinum interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3445","3453","10.1039/b516410a","","","0.71073","MoKα","","0.0601","0.0554","","","0.1586","0.1636","","","","","","1.032","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007026","17.4586","0.0014","12.1644","0.001","16.7311","0.0014","90","","90","","90","","3553.2","0.5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H32 As2 Au2 Cl2 -","- C38 H32 As2 Au2 Cl2 -","- C152 H128 As8 Au8 Cl8 -","4","0.5","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0309","0.0237","","","0.0564","0.0603","","","","","","1.028","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007027","17.6413","0.0012","12.2384","0.0008","16.736","0.0011","90","","90","","90","","3613.3","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H32 As2 Au2 Br2 -","- C38 H32 As2 Au2 Br2 -","- C152 H128 As8 Au8 Br8 -","4","0.5","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0357","0.0262","","","0.0622","0.0665","","","","","","1.034","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007028","17.8668","0.0012","12.461","0.0009","16.7927","0.0012","90","","90","","90","","3738.7","0.5","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H32 As2 Au2 I2 -","- C38 H32 As2 Au2 I2 -","- C152 H128 As8 Au8 I8 -","4","0.5","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0413","0.0307","","","0.0664","0.0707","","","","","","1.037","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007029","18.9303","0.0012","10.8309","0.0007","19.586","0.0012","90","","103.124","0.001","90","","3910.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 As2 Au2 O4 -","- C42 H38 As2 Au2 O4 -","- C168 H152 As8 Au8 O16 -","4","0.5","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0251","0.0217","","","0.0532","0.0551","","","","","","0.869","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007030","19.1148","0.0015","10.7477","0.0008","18.6647","0.0014","90","","112.638","0.002","90","","3539.1","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 As2 Au2 Cl2 -","- C38 H32 As2 Au2 Cl2 -","- C152 H128 As8 Au8 Cl8 -","4","0.5","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0288","0.0233","","","0.0536","0.0555","","","","","","1.023","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007031","19.2239","0.0015","10.7877","0.0009","18.8728","0.0015","90","","112.499","0.002","90","","3616","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 As2 Au2 Br2 -","- C38 H32 As2 Au2 Br2 -","- C152 H128 As8 Au8 Br8 -","4","0.5","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0388","0.0281","","","0.063","0.0666","","","","","","1.026","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007032","19.4517","0.001","10.8921","0.0006","19.1704","0.001","90","","112.228","0.001","90","","3759.8","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 As2 Au2 I2 -","- C38 H32 As2 Au2 I2 -","- C152 H128 As8 Au8 I8 -","4","0.5","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0303","0.0237","","","0.0531","0.0555","","","","","","1.025","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007033","13.7505","0.0008","21.7158","0.0012","14.9318","0.0008","90","","95.742","0.001","90","","4436.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 As2 Au2 F10 -","- C50 H32 As2 Au2 F10 -","- C200 H128 As8 Au8 F40 -","4","1","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0598","0.0374","","","0.0821","0.0911","","","","","","0.959","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007034","12.098","0.0009","20.5775","0.0016","18.6526","0.0015","90","","97.678","0.002","90","","4601.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 As2 Au2 F10 -","- C50 H32 As2 Au2 F10 -","- C200 H128 As8 Au8 F40 -","4","1","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0685","0.0405","","","0.0954","0.1093","","","","","","0.975","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007035","19.799","0.004","6.8375","0.0015","12.489","0.003","90","","111.204","0.004","90","","1576.2","0.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C38 H32 As2 -","- C38 H32 As2 -","- C76 H64 As4 -","2","0.5","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.052","0.0427","","","0.0981","0.1009","","","","","","0.971","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007036","23.051","0.007","8.91","0.003","18.718","0.006","90","","121.31","0.013","90","","3284.5","1.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 As2 Au2 -","- C38 H32 As2 Au2 -","- C152 H128 As8 Au8 -","4","0.5","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0668","0.0591","","","0.1419","0.1463","","","","","","0.979","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007037","25.691","0.002","20.4189","0.0018","19.0832","0.0017","90","","130.191","0.001","90","","7647.1","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 As2 Au2 Cl2 -","- C38 H32 As2 Au2 Cl2 -","- C304 H256 As16 Au16 Cl16 -","8","1","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0915","0.0416","","","0.0859","0.1043","","","","","","1.004","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007038","9.0921","0.0012","15.991","0.002","24.704","0.003","90","","97.868","0.003","90","","3557.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 As2 Au2 Cl2 -","- C38 H32 As2 Au2 Cl2 -","- C152 H128 As8 Au8 Cl8 -","4","1","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0957","0.0595","","","0.1483","0.1642","","","","","","1.025","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007039","8.9939","0.0007","15.7013","0.0013","25.199","0.002","90","","96.491","0.002","90","","3535.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 As2 Au2 Br -","- C38 H33 As2 Au2 Br -","- C152 H132 As8 Au8 Br4 -","4","1","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0784","0.042","","","0.0812","0.0928","","","","","","0.985","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007040","9.3408","0.0006","9.8564","0.0006","11.1989","0.0007","112.613","0.001","111.245","0.001","97.283","0.001","843.61","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 As I -","- C19 H16 As I -","- C38 H32 As2 I2 -","2","1","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0316","0.0284","","","0.0755","0.0775","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007041","9.1944","0.0009","12.0156","0.0011","20.2994","0.0019","83.702","0.002","81.403","0.002","77.64","0.002","2159","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 As2 Au2 I2 -","- C38 H32 As2 Au2 I2 -","- C76 H64 As4 Au4 I4 -","2","1","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0839","0.0641","","","0.196","0.2135","","","","","","1.048","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007042","15.8379","0.0015","14.0363","0.0015","17.4504","0.0017","90","","111.217","0.003","90","","3616.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 As2 Au2 I2 -","- C38 H32 As2 Au2 I2 -","- C152 H128 As8 Au8 I8 -","4","1","","Kitadai, Kunihiko; Takahashi, Masashi; Takeda, Masuo; Bhargava, Suresh K.; Privér, Steven H; Bennett, Martin A.","Synthesis, structures and reactions of cyclometallated gold complexes containing (2-diphenylarsino-n-methyl)phenyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2006","","21","2560","2571","10.1039/b516538e","","","0.71073","MoKα","","0.0473","0.0342","","","0.0733","0.0774","","","","","","0.822","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007043","7.5055","0.0006","10.5872","0.0008","12.5053","0.0009","81.158","0.001","80.512","0.001","69.622","0.001","913.77","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Barium bishydroxytris(methimazolyl)borate biswater","","","- C12 H18 B Ba0.5 N6 O S3 -","- C12 H18 B Ba0.5 N6 O S3 -","- C24 H36 B2 Ba N12 O2 S6 -","2","1","","Cetin, Anil; Ziegler, Christopher J.","Coordinative flexibility in hydrotris(methimazolyl)borate divalent metal compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1006","1008","10.1039/b516558j","","","0.71073","MoKα","","0.0338","0.0304","","","0.0714","0.0729","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007044","8.8138","0.0006","9.4094","0.0007","13.136","0.0009","91.516","0.001","93.022","0.001","90.54","0.001","1087.44","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Calcium bishydrotris(methimazolyl)borate hexawater","","","- C12 H26 B Ca0.5 N6 O5 S3 -","- C12 H26 B Ca0.5 N6 O5 S3 -","- C24 H52 B2 Ca N12 O10 S6 -","2","1","","Cetin, Anil; Ziegler, Christopher J.","Coordinative flexibility in hydrotris(methimazolyl)borate divalent metal compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1006","1008","10.1039/b516558j","","","0.71073","MoKα","","0.0436","0.0413","","","0.1241","0.1261","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007045","12.923","0.003","18.019","0.004","20.599","0.005","81.587","0.004","76.885","0.004","70.578","0.004","4392.6","1.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Tetramercury tetrahydoxytris(methimazolyl)borate tetrachloride","","","- C48 H60 B4 Cl4 Hg4 N24 O13 S12 -","- C48 H60 B4 Cl4 Hg4 N24 S12 -","- C96 H120 B8 Cl8 Hg8 N48 S24 -","2","1","","Cetin, Anil; Ziegler, Christopher J.","Coordinative flexibility in hydrotris(methimazolyl)borate divalent metal compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1006","1008","10.1039/b516558j","","","0.71073","MoKα","","0.145","0.0666","","","0.1438","0.1556","","","","","","0.761","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007046","12.3126","0.0012","16.234","0.0016","16.3156","0.0016","110.985","0.002","91.761","0.002","108.279","0.002","2853.4","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H39 B2 Co O4 P3 -","- C23 H39 B2 Co O4 P3 -","- C92 H156 B8 Co4 O16 P12 -","4","2","","Adams, Christopher J.; Baber, R. Angharad; Batsanov, Andrei S.; Bramham, George; Charmant, Jonathan P. H.; Haddow, Mairi F.; Howard, Judith A. K.; Lam, Wai Han; Lin, Zhenyang; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy","Synthesis and reactivity of cobalt boryl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1370","1373","10.1039/b516594f","","","0.71073","MoKα","","0.1217","0.0487","","","0.0999","0.1206","","","","","","0.936","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007047","13.2266","0.0006","16.0716","0.0007","33.7307","0.0015","90","","96.3","0.01","90","","7126.9","0.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Cobalt tris-dimethylphenylphosphine-bisboryl","","- C36 H41 B2 Co O4 P3 -","- C36 H41 B2 Co O4 P3 -","- C288 H328 B16 Co8 O32 P24 -","8","1","","Adams, Christopher J.; Baber, R. Angharad; Batsanov, Andrei S.; Bramham, George; Charmant, Jonathan P. H.; Haddow, Mairi F.; Howard, Judith A. K.; Lam, Wai Han; Lin, Zhenyang; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy","Synthesis and reactivity of cobalt boryl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1370","1373","10.1039/b516594f","","","0.71073","MoKα","","0.0697","0.048","","","0.0901","0.0962","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007048","16.6032","0.0012","9.7012","0.0007","16.159","0.0012","90","","104.394","0.001","90","","2521","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 B Co O2 P4 -","- C18 H40 B Co O2 P4 -","- C72 H160 B4 Co4 O8 P16 -","4","1","","Adams, Christopher J.; Baber, R. Angharad; Batsanov, Andrei S.; Bramham, George; Charmant, Jonathan P. H.; Haddow, Mairi F.; Howard, Judith A. K.; Lam, Wai Han; Lin, Zhenyang; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy","Synthesis and reactivity of cobalt boryl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1370","1373","10.1039/b516594f","","","0.71073","MoKα","","0.0437","0.0294","","","0.0683","0.0737","","","","","","1.026","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007049","11.588","0.001","13.554","0.001","26.571","0.003","90","","101.58","0.01","90","","4088.4","0.7","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H24 B2 F6 O4 -","- C28 H24 B2 F6 O4 -","- C168 H144 B12 F36 O24 -","6","1.5","","Adams, Christopher J.; Baber, R. Angharad; Batsanov, Andrei S.; Bramham, George; Charmant, Jonathan P. H.; Haddow, Mairi F.; Howard, Judith A. K.; Lam, Wai Han; Lin, Zhenyang; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy","Synthesis and reactivity of cobalt boryl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1370","1373","10.1039/b516594f","","","0.71073","MoKα","","0.1129","0.0874","","","0.1979","0.209","","","","","","1.106","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007050","12.6658","0.0005","12.9257","0.0005","19.7839","0.0008","72.835","0.001","76.497","0.001","65.272","0.001","2788.19","0.19","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl4 Fe2 N10 O19 -","- C44 H50 Cl4 Fe2 N10 O19 -","- C88 H100 Cl8 Fe4 N20 O38 -","2","1","","Li, Fei; Wang, Mei; Ma, Chengbing; Gao, Aiping; Chen, Hongbo; Sun, Licheng","Mono- and binuclear complexes of iron(II) and iron(III) with an N4O ligand: synthesis, structures and catalytic properties in alkane oxidation.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2427","2434","10.1039/b516697g","","","0.71073","MoKα","","","0.0867","","","0.1959","0.2244","","","","","","1.128","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007051","12.004","0.004","13.4247","0.001","13.155","0.006","90","","92.89","0.003","90","","2117.2","1.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl3 Fe N4 O -","- C20 H22 Cl3 Fe N4 O -","- C80 H88 Cl12 Fe4 N16 O4 -","4","1","","Li, Fei; Wang, Mei; Ma, Chengbing; Gao, Aiping; Chen, Hongbo; Sun, Licheng","Mono- and binuclear complexes of iron(II) and iron(III) with an N4O ligand: synthesis, structures and catalytic properties in alkane oxidation.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2427","2434","10.1039/b516697g","","","0.71073","MoKα","","","0.0497","","","0.1202","0.1224","","","","","","1.007","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007052","14.651","0.003","8.674","0.003","20.993","0.004","90","","90.27","0.02","90","","2667.8","1.2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C21 H23.5 Cl4 Fe2 N4.5 O1.5 -","- C21 H23.5 Cl4 Fe2 N4.5 O1.5 -","- C84 H94 Cl16 Fe8 N18 O6 -","4","1","","Li, Fei; Wang, Mei; Ma, Chengbing; Gao, Aiping; Chen, Hongbo; Sun, Licheng","Mono- and binuclear complexes of iron(II) and iron(III) with an N4O ligand: synthesis, structures and catalytic properties in alkane oxidation.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2427","2434","10.1039/b516697g","","","0.71073","MoKα","","0.0656","0.0406","","","0.0981","0.1143","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007053","7.5269","0.0001","10.4241","0.0001","11.0236","0.0001","68.994","0.001","71.029","0.001","89.92","0.001","757.065","0.016","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C5 H6 Ag N3 O3 -","- C5 H6 Ag N3 O3 -","- C20 H24 Ag4 N12 O12 -","4","4","","Abu-Youssef, Morsy A M; Langer, Vratislav; Ohrström, Lars","Synthesis, a case of isostructural packing, and antimicrobial activity of silver(I)quinoxaline nitrate, silver(I)(2,5-dimethylpyrazine) nitrate and two related silver aminopyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2542","2550","10.1039/b516723j","","","0.71073","MoKα","","0.0249","0.0233","","","0.0566","0.058","","","","","","1.024","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007054","9.14","0.0002","7.3099","0.0001","13.0487","0.0003","90","","90","","90","","871.82","0.03","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H6 Ag N3 O3 -","- C8 H6 Ag N3 O3 -","- C32 H24 Ag4 N12 O12 -","4","0.5","","Abu-Youssef, Morsy A M; Langer, Vratislav; Ohrström, Lars","Synthesis, a case of isostructural packing, and antimicrobial activity of silver(I)quinoxaline nitrate, silver(I)(2,5-dimethylpyrazine) nitrate and two related silver aminopyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2542","2550","10.1039/b516723j","","","0.71073","MoKα","","0.032","0.0233","","","0.0589","0.0653","","","","","","1","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007055","13.1291","0.0002","14.0159","0.0001","9.089","0.0001","90","","90.101","0.001","90","","1672.52","0.03","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Ag2 N6 O6 -","- C12 H16 Ag2 N6 O6 -","- C48 H64 Ag8 N24 O24 -","4","1","","Abu-Youssef, Morsy A M; Langer, Vratislav; Ohrström, Lars","Synthesis, a case of isostructural packing, and antimicrobial activity of silver(I)quinoxaline nitrate, silver(I)(2,5-dimethylpyrazine) nitrate and two related silver aminopyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2542","2550","10.1039/b516723j","","","0.71073","MoKα","","0.075","0.0403","","","0.0841","0.0968","","","","","","1.002","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007056","22.0967","0.0002","18.7432","0.0002","29.3512","0.0002","90","","90","","90","","12156.2","0.19","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","(Ni6(bpyany)4(NCS)2)(BPh4)2","","","- C132 H104 B2 Cl4 N30 Ni6 S2 -","- C132 H104 B2 Cl4 N30 Ni6 S2 -","- C528 H416 B8 Cl16 N120 Ni24 S8 -","4","0.5","","Chien, Chih-Hsien; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Fang, Jim-Min; Song, You; Peng, Shie-Ming","Weak antiferromagnetic coupling for novel linear hexanuclear nickel(II) string complexes (Ni6 12+) and partial metal-metal bonds in their one-electron reduction products (Ni6 11+).","Dalton transactions (Cambridge, England : 2003)","2006","","26","3249","3256","10.1039/b516749c","","","0.71073","MoKα","","0.1277","0.0874","","","0.2212","0.2479","","","","","","1.172","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007057","15.9683","0.0007","15.9683","0.0007","41.456","0.002","90","","90","","90","","10570.7","0.8","150","1","150","1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","(Ni6(bpyany)4Cl2)(PF6)","","","- C80 H68 Cl18 F6 N24 Ni6 O2 P -","- C80 H68 Cl18 F6 N24 Ni6 O2 P -","- C320 H272 Cl72 F24 N96 Ni24 O8 P4 -","4","0.25","","Chien, Chih-Hsien; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Fang, Jim-Min; Song, You; Peng, Shie-Ming","Weak antiferromagnetic coupling for novel linear hexanuclear nickel(II) string complexes (Ni6 12+) and partial metal-metal bonds in their one-electron reduction products (Ni6 11+).","Dalton transactions (Cambridge, England : 2003)","2006","","26","3249","3256","10.1039/b516749c","","","0.71073","MoKα","","0.1694","0.1106","","","0.3232","0.3818","","","","","","1.047","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007058","7.7436","0.0005","14.722","0.002","16.942","0.002","90","","100.37","0.006","90","","1899.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 Cl2 N3 O11 Pd -","- C12 H19 Cl2 N3 O11 Pd -","- C48 H76 Cl8 N12 O44 Pd4 -","4","1","","Bugarcić, Zivadin D; Nandibewoor, Sharanappa T.; Hamza, Mohamed S. A.; Heinemann, Frank; van Eldik, Rudi","Kinetics and mechanism of the reactions of Pd(II) complexes with azoles and diazines. Crystal structure of [Pd(bpma)(H2O)](ClO4)2.2H2O.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2984","2990","10.1039/b516771j","","","0.71073","MoKα","","0.0583","0.0522","","","0.1174","0.1195","","","","","","1.329","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007059","6.81","0.0011","9.514","0.0018","18.657","0.004","90","","92.469","0.007","90","","1207.7","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Br P Se -","- C9 H14 Br P Se -","- C36 H56 Br4 P4 Se4 -","4","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.; Sarwar, Shamsa","Reactions of Ph4Se4Br4 with tertiary phosphines. Structural isomerism within a series of R3PSe(Ph)Br compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1517","1523","10.1039/b516784a","","x-ray","0.71073","MoKα","","0.135","0.1132","","","0.2876","0.3133","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007060","13.172","0.002","13.183","0.002","15.724","0.003","90","","101.47","0.02","90","","2675.9","0.8","203","2","203","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C6 H5 Br Se -","- C6 H5 Br Se -","- C96 H80 Br16 Se16 -","16","4","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.; Sarwar, Shamsa","Reactions of Ph4Se4Br4 with tertiary phosphines. Structural isomerism within a series of R3PSe(Ph)Br compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1517","1523","10.1039/b516784a","","x-ray","0.71073","MoKα","","0.0859","0.0541","","","0.1022","0.1132","","","","","","1.055","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007061","10.1891","0.0004","16.3115","0.0006","14.8944","0.0006","90","","105.165","0.002","90","","2389.24","0.16","150","2","150","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C24 H38 Br P Se -","- C24 H38 Br P Se -","- C96 H152 Br4 P4 Se4 -","4","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.; Sarwar, Shamsa","Reactions of Ph4Se4Br4 with tertiary phosphines. Structural isomerism within a series of R3PSe(Ph)Br compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1517","1523","10.1039/b516784a","","x-ray","0.71073","MoKα","","0.0872","0.0536","","","0.1175","0.1329","","","","","","1.011","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007062","14.0231","0.0007","16.7384","0.0008","18.1228","0.0008","90","","90","","90","","4253.9","0.3","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Br P Se -","- C24 H20 Br P Se -","- C192 H160 Br8 P8 Se8 -","8","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.; Sarwar, Shamsa","Reactions of Ph4Se4Br4 with tertiary phosphines. Structural isomerism within a series of R3PSe(Ph)Br compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1517","1523","10.1039/b516784a","","x-ray","0.71073","MoKα","","0.0805","0.0505","","","0.1034","0.1174","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007063","46.8568","0.0004","46.8568","0.0004","21.7997","0.0001","90","","90","","90","","47862.5","0.6","200","2","200","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C100 H90 Ag5 B4 F16 N20 O10 -","- C100 H90 Ag5 B4 F16 N20 O10 -","- C1600 H1440 Ag80 B64 F256 N320 O160 -","16","1","","Price, Jason R.; Lan, Yanhua; Jameson, Geoffrey B.; Brooker, Sally","Control of molecular architecture by steric and electronic factors: dinuclear side-by-side vs. tetranuclear [2 x 2] grid-type silver(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1491","1494","10.1039/b516997f","","","0.71073","MoKα","","0.1066","0.0671","","","0.1926","0.2125","","","","","","1.099","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007064","13.9951","0.0002","8.199","0.0001","20.9379","0.0003","90","","98.35","0.001","90","","2377.07","0.06","84","2","84","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Ag2 B2 F8 N8 -","- C48 H52 Ag2 B2 F8 N8 -","- C96 H104 Ag4 B4 F16 N16 -","2","0.5","","Price, Jason R.; Lan, Yanhua; Jameson, Geoffrey B.; Brooker, Sally","Control of molecular architecture by steric and electronic factors: dinuclear side-by-side vs. tetranuclear [2 x 2] grid-type silver(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1491","1494","10.1039/b516997f","","","0.71073","MoKα","","0.068","0.0472","","","0.1069","0.117","","","","","","1.058","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007065","13.1574","0.0017","12.0357","0.0015","20.222","0.003","90","","104.823","0.002","90","","3095.8","0.7","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 I N P3 -","- C36 H29 I N P3 -","- C144 H116 I4 N4 P12 -","4","1","","Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Preparation and structures of 1,2-dihydro-1,2-diphosphaacenaphthylenes and rigid backbone stabilized triphosphenium cation.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2175","2183","10.1039/b517071k","","","0.71073","MoKα","","0.0263","0.0231","","","0.0581","0.0603","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007066","15.133","0.004","8.0121","0.0019","15.587","0.003","90","","94.942","0.006","90","","1882.9","0.8","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 I N3 P2 -","- C16 H24 I N3 P2 -","- C64 H96 I4 N12 P8 -","4","1","","Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Preparation and structures of 1,2-dihydro-1,2-diphosphaacenaphthylenes and rigid backbone stabilized triphosphenium cation.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2175","2183","10.1039/b517071k","","","0.71073","MoKα","","0.028","0.0247","","","0.0508","0.0532","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007067","14.376","0.004","18.552","0.004","13.197","0.003","90","","117.087","0.006","90","","3133.6","1.3","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 I2 N4 P4 -","- C28 H36 I2 N4 P4 -","- C112 H144 I8 N16 P16 -","4","0.5","","Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Preparation and structures of 1,2-dihydro-1,2-diphosphaacenaphthylenes and rigid backbone stabilized triphosphenium cation.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2175","2183","10.1039/b517071k","","","0.71073","MoKα","","0.0426","0.0338","","","0.0589","0.0623","","","","","","0.786","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007068","7.532","0.003","9.024","0.002","13.837","0.004","90","","103.131","0.009","90","","915.9","0.5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 I2 N2 P2 -","- C14 H18 I2 N2 P2 -","- C28 H36 I4 N4 P4 -","2","1","","Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Preparation and structures of 1,2-dihydro-1,2-diphosphaacenaphthylenes and rigid backbone stabilized triphosphenium cation.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2175","2183","10.1039/b517071k","","","0.71073","MoKα","","0.0424","0.0317","","","0.065","0.0719","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007069","18.52","0.006","7.1417","0.0013","18.136","0.005","90","","109.745","0.006","90","","2257.7","1","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O2 P4 -","- C24 H24 N2 O2 P4 -","- C96 H96 N8 O8 P16 -","4","0.5","","Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Preparation and structures of 1,2-dihydro-1,2-diphosphaacenaphthylenes and rigid backbone stabilized triphosphenium cation.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2175","2183","10.1039/b517071k","","","0.71073","MoKα","","0.0698","0.048","","","0.1011","0.1116","","","","","","1.04","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007070","6.623","0.002","12.72","0.004","13.847","0.005","90","","94.47","0.012","90","","1163","0.7","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Fe2 P2 Se4 -","- C20 H18 Fe2 P2 Se4 -","- C40 H36 Fe4 P4 Se8 -","2","0.5","","Parveen, Sahrah; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and characterisation of four- and six-membered P-Se heterocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2586","2590","10.1039/b517093a","","","0.71073","MoKα","","0.0951","0.052","","","0.0716","0.0808","","","","","","1.031","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007071","9.3608","0.0009","11.4041","0.001","14.3898","0.0013","98.515","0.004","90.548","0.005","94.704","0.004","1513.7","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Fe2 P2 Se6 -","- C27 H18 Fe2 P2 Se6 -","- C54 H36 Fe4 P4 Se12 -","2","1","","Parveen, Sahrah; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and characterisation of four- and six-membered P-Se heterocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2586","2590","10.1039/b517093a","","","0.71073","MoKα","","0.041","0.0361","","","0.079","0.0816","","","","","","1.115","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007072","6.6219","0.001","9.9779","0.0015","28.146","0.004","90","","90","","90","","1859.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 P2 Se6 -","- C12 H10 P2 Se6 -","- C48 H40 P8 Se24 -","4","1","","Parveen, Sahrah; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and characterisation of four- and six-membered P-Se heterocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2586","2590","10.1039/b517093a","","","0.71073","MoKα","","0.0913","0.0581","","","0.087","0.0996","","","","","","0.92","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007073","28.4275","0.0019","20.2935","0.0014","29.446","0.002","90","","90","","90","","16987","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C176 H178 Mn12 N6 O42 -","- C175.332 H174.998 Mn12 N5.666 O42 -","- C701.328 H699.992 Mn48 N22.664 O168 -","4","0.5","","Murugesu, Muralee; Wernsdorfer, Wolfgang; Abboud, Khalil A.; Brechin, Euan K.; Christou, George","New Mn12 single-molecule magnets from edge-sharing bioctahedra.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2285","2287","10.1039/b517108c","","","0.71073","MoKα","","0.1172","0.0762","","","0.1422","0.1599","","","","","","1.192","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007074","20.5435","0.0015","18.8989","0.0014","25.3111","0.0019","90","","111.18","0.002","90","","9163.2","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C184 H198 Mn12 N12 O42 -","- C172 H168 Mn12 N6 O42 -","- C344 H336 Mn24 N12 O84 -","2","0.5","","Murugesu, Muralee; Wernsdorfer, Wolfgang; Abboud, Khalil A.; Brechin, Euan K.; Christou, George","New Mn12 single-molecule magnets from edge-sharing bioctahedra.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2285","2287","10.1039/b517108c","","","0.71073","MoKα","","0.142","0.0616","","","0.177","0.1969","","","","","","1.001","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007075","11.5832","0.0006","13.4283","0.0008","14.0099","0.0008","103.462","0.002","97.904","0.002","90.706","0.002","2096.9","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H92 Mn12 N4 Na2 O46 -","- C53 H92 Mn12 N4 Na O46 -","- C53 H92 Mn12 N4 Na O46 -","1","0.5","","Murugesu, Muralee; Wernsdorfer, Wolfgang; Abboud, Khalil A.; Brechin, Euan K.; Christou, George","New Mn12 single-molecule magnets from edge-sharing bioctahedra.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2285","2287","10.1039/b517108c","","","0.71073","MoKα","","0.0491","0.0426","","","0.1179","0.1221","","","","","","1.066","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7007076","21.172","0.005","17.293","0.009","17.706","0.006","90","","114.1","0.02","90","","5918","4","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C53 H68 B11 N6 P3 Ru Sn -","- C53 H68 B11 N6 P3 Ru Sn -","- C212 H272 B44 N24 P12 Ru4 Sn4 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bonding modes of stanna-closo-dodecaborate: eta1(Sn) to eta3(BH) rearrangement reactions in zwitterionic stanna-closo-dodecaborate ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2706","2713","10.1039/b517138e","","","0.71073","MoKα","","0.0412","0.0347","","","0.0838","0.0885","","","","","","1.059","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007077","14.5342","0.0005","19.8489","0.0006","16.8374","0.0006","90","","102.678","0.003","90","","4739","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 B11 Cl2 P3 Ru Sn -","- C42 H50.111 B11 Cl2 P3 Ru Sn -","- C168 H200.444 B44 Cl8 P12 Ru4 Sn4 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bonding modes of stanna-closo-dodecaborate: eta1(Sn) to eta3(BH) rearrangement reactions in zwitterionic stanna-closo-dodecaborate ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2706","2713","10.1039/b517138e","","","0.71073","MoKα","","0.0535","0.0444","","","0.0974","0.1012","","","","","","1.104","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007078","12.9636","0.0017","13.7974","0.0014","26.532","0.004","90","","101.119","0.016","90","","4656.5","1.1","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 B11 N5 P2 Ru Sn -","- C38 H54 B11 N5 P2 Ru Sn -","- C152 H216 B44 N20 P8 Ru4 Sn4 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bonding modes of stanna-closo-dodecaborate: eta1(Sn) to eta3(BH) rearrangement reactions in zwitterionic stanna-closo-dodecaborate ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2706","2713","10.1039/b517138e","","","0.71073","MoKα","","0.0701","0.0544","","","0.1281","0.1338","","","","","","1.111","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007079","11.496","0.002","8.5518","0.0017","8.6416","0.0017","90","","102.75","0.03","90","","828.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B12 H10 Ni O24 -","- B12 H10 Ni O24 -","- B24 H20 Ni2 O48 -","2","0.5","","Ju, Jing; Sasaki, Jun; Yang, Tao; Kasamatsu, Shinya; Negishi, Eiichi; Li, Guobao; Lin, Jianhua; Nojiri, Hiroyuki; Rachi, Takeshi; Tanigaki, Katsumi; Toyota, Naoki","Ferromagnetic ordering in a new nickel polyborate NiB12O14(OH)10.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1597","1601","10.1039/b517155e","","","0.71073","MoKα","","0.0649","0.0327","","","0.0953","0.1008","","","","","","0.984","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007080","11.294","0.001","11.964","0.002","14.631","0.002","73.594","0.007","88.023","0.007","82.037","0.006","1878.2","0.4","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","[Al2(OH)2(EDDHPA)2].2(H2O)","","","- C16 H34 Al2 N4 O16 -","- C16 H34 Al2 N4 O16 -","- C48 H102 Al6 N12 O48 -","3","1.5","","Jószai, Róbert; Kerekes, Imola; Satoshi, Igarashi; Sawada, Kiyoshi; Zékány, László; Tóth, Imre","Equilibrium and structure of the Al(III)-ethylenediamine-N,N'-bis(3-hydroxy-2-propionate) (EDBHP) complex. A multi-method study by potentiometry, NMR, ESI MS and X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3221","3227","10.1039/b517192j","","","0.7107","MoKα","","","0.0885","","","","0.2662","","","","","","1.608","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007081","20.997","0.004","8.242","0.0016","13.556","0.003","90","","90","","90","","2346","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H13 Cd0.5 N O Se -","- C10 H13 Cd0.5 N O Se -","- C80 H104 Cd4 N8 O8 Se8 -","8","1","","Kedarnath, Gotluru; Kumbhare, Liladhar B.; Jain, Vimal K.; Phadnis, Prasad P.; Nethaji, Munirathinam","Group 12 metal monoselenocarboxylates: synthesis, characterization, structure and their transformation to metal selenide (MSe; M = Zn, Cd, Hg) nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2714","2718","10.1039/b517224a","","","0.71073","MoKα","","0.0726","0.0419","","","0.0838","0.0932","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007082","8.1582","0.0004","16.9656","0.0011","22.337","0.0012","90","","97.861","0.004","90","","3062.6","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H45 N11 Ni2 O7 -","- C21 H45 N11 Ni2 O7 -","- C84 H180 N44 Ni8 O28 -","4","1","","Demeshko, Serhiy; Leibeling, Guido; Dechert, Sebastian; Meyer, Franc","Targeted construction of azido-bridged Ni4 complexes with decisive effect of mu-1,3-azide torsion on the spin ground state.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3458","3465","10.1039/b517254c","","","0.71073","MoKα","","0.0427","0.0317","","","0.0778","0.0813","","","","","","1.02","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007083","25.537","0.002","16.1276","0.0011","15.276","0.001","90","","90.342","0.006","90","","6291.3","0.8","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H79 Cl2 N24 Ni4 O10.5 -","- C36 H79 Cl2 N24 Ni4 O10.5 -","- C144 H316 Cl8 N96 Ni16 O42 -","4","0.5","","Demeshko, Serhiy; Leibeling, Guido; Dechert, Sebastian; Meyer, Franc","Targeted construction of azido-bridged Ni4 complexes with decisive effect of mu-1,3-azide torsion on the spin ground state.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3458","3465","10.1039/b517254c","","","0.71073","MoKα","","0.1039","0.0719","","","0.187","0.2027","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007084","25.875","0.002","15.8835","0.0008","15.2957","0.0012","90","","91.575","0.006","90","","6283.9","0.8","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H88 Cl2 N24 Ni4 O9 -","- C42 H88 Cl2 N24 Ni4 O9 -","- C168 H352 Cl8 N96 Ni16 O36 -","4","0.5","","Demeshko, Serhiy; Leibeling, Guido; Dechert, Sebastian; Meyer, Franc","Targeted construction of azido-bridged Ni4 complexes with decisive effect of mu-1,3-azide torsion on the spin ground state.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3458","3465","10.1039/b517254c","","","0.71073","MoKα","","0.0641","0.043","","","0.0934","0.1011","","","","","","1.029","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007085","9.7053","0.0006","18.9522","0.0012","26.0462","0.0015","83.808","0.005","82.862","0.005","75.504","0.005","4587.7","0.5","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H116 B2 N24 Ni4 O -","- C85 H116 B2 N24 Ni4 O -","- C170 H232 B4 N48 Ni8 O2 -","2","1","","Demeshko, Serhiy; Leibeling, Guido; Dechert, Sebastian; Meyer, Franc","Targeted construction of azido-bridged Ni4 complexes with decisive effect of mu-1,3-azide torsion on the spin ground state.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3458","3465","10.1039/b517254c","","","0.71073","MoKα","","0.1171","0.0659","","","0.1616","0.1842","","","","","","1.028","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007086","10.2001","0.0008","14.7227","0.0012","15.3507","0.0013","80.131","0.001","87.5","0.001","78.15","0.001","2222.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H49 Cu3 O12.5 -","- C48 H48 Cu3 O12.5 -","- C96 H96 Cu6 O25 -","2","1","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Extended three-dimensional supramolecular architectures derived from trinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3114","3121","10.1039/b517274h","","","0.71073","MoKα","","0.0671","0.0441","","","0.1185","0.1313","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007087","15.0084","0.0018","15.8591","0.0018","17.91","0.002","112.6","0.002","103.553","0.002","101.522","0.002","3621","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H86 Cu3 N2 O15.75 -","- C73 H82 Cu3 N2 O15.75 -","- C146 H164 Cu6 N4 O31.5 -","2","1","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Extended three-dimensional supramolecular architectures derived from trinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3114","3121","10.1039/b517274h","","","0.71073","MoKα","","0.0819","0.0653","","","0.1961","0.2119","","","","","","0.992","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007088","14.0012","0.0016","14.1336","0.0016","18.328","0.002","72.259","0.002","88.496","0.002","83.084","0.002","3429.1","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H78 Cu3 N4 O13.75 -","- C75 H78 Cu3 N4 O13.75 -","- C150 H156 Cu6 N8 O27.5 -","2","1","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Extended three-dimensional supramolecular architectures derived from trinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3114","3121","10.1039/b517274h","","","0.71073","MoKα","","0.1032","0.0537","","","0.1332","0.1616","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007089","12.571","0.003","13.202","0.003","19.105","0.004","109.55","0.03","100.89","0.03","102.37","0.03","2799.1","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 Cu3 N2 O13 -","- C56 H57 Cu3 N2 O13 -","- C112 H114 Cu6 N4 O26 -","2","1","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Extended three-dimensional supramolecular architectures derived from trinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3114","3121","10.1039/b517274h","","","0.71073","MoKα","","0.1934","0.1069","","","0.2662","0.3313","","","","","","0.974","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007090","7.5941","0.0008","33.013","0.003","21.558","0.002","90","","90.13","0.002","90","","5404.7","0.9","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C90 H138 Cu3 N6 O15 -","- C83 H120.58 Cu3 N6 O13.25 -","- C166 H241.16 Cu6 N12 O26.5 -","2","0.5","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Extended three-dimensional supramolecular architectures derived from trinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3114","3121","10.1039/b517274h","","","0.71073","MoKα","","0.0993","0.0718","","","0.2029","0.2178","","","","","","1.021","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007091","18.206","0.001","18.206","0.001","18.206","0.001","90","","90","","90","","6034.5","0.6","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C60 H72 Cu3 N4 O12 -","- C60 H72 Cu3 N4 O12 -","- C240 H288 Cu12 N16 O48 -","4","0.333333","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Extended three-dimensional supramolecular architectures derived from trinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3114","3121","10.1039/b517274h","","","0.71073","MoKα","","0.104","0.0517","","","0.1246","0.1394","","","","","","0.9","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007092","10.7939","0.0005","12.2093","0.0006","19.3334","0.0009","93.144","0.003","102.049","0.003","108.324","0.003","2345.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.5 H59.5 N Nb O2 P Si2 -","- C51.5 H59.5 N Nb O2 P Si2 -","- C103 H119 N2 Nb2 O4 P2 Si4 -","2","1","","Antiñolo, Antonio; García-Yuste, Santiago; Lopez-Solera, Maria Isabel; Otero, Antonio; Pérez-Flores, Juan C; Reguillo-Carmona, Rebeca; Villaseñor, Elena","Activation of a CNXylyl ancillary ligand in the reaction of electron-deficient alkynes with a phosphido niobocene complex.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1495","1496","10.1039/b517307h","","","0.71073","MoKα","","0.0771","0.0494","","","0.1338","0.1792","","","","","","0.653","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007093","13.5768","0.0002","11.1807","0.0002","42.2143","0.0002","90","","97.811","0.001","90","","6348.6","0.15","83","2","83","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 Cl2 N7 O6 P5 Pt -","- C68 H56 Cl2 N7 O6 P5 Pt -","- C272 H224 Cl8 N28 O24 P20 Pt4 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Chaplin, Adrian B.; O'Connor, Joy M; Otter, Carl A.","Gold(I) and platinum(II) complexes with a new diphosphine ligand based on the cyclotriphosphazene platform.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1264","1266","10.1039/b517309b","","","0.71073","MoKα","","0.1252","0.066","","","0.1172","0.1384","","","","","","1.058","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007094","13.8387","0.0002","14.0919","0.0001","18.3886","0.0001","93.237","0.001","104.527","0.001","100.185","0.001","3397.49","0.06","83","2","356","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.7 H46.7 Au2 Cl10.1 N3 O6 P5 -","- C60 H44 Au2 Cl2 N3 O6 P5 -","- C120 H88 Au4 Cl4 N6 O12 P10 -","2","1","","Ainscough, Eric W.; Brodie, Andrew M.; Chaplin, Adrian B.; O'Connor, Joy M; Otter, Carl A.","Gold(I) and platinum(II) complexes with a new diphosphine ligand based on the cyclotriphosphazene platform.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1264","1266","10.1039/b517309b","","","0.71073","MoKα","","0.0667","0.0498","","","0.1213","0.1295","","","","","","0.95","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007095","12.201","0.0001","14.2978","0.0001","17.674","0.0001","69.287","0.001","83.074","0.001","67.942","0.001","2672.54","0.04","83","2","83","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H47 Au B F4 N4 O6 P3 -","- C62 H47 Au B F4 N4 O6 P5 -","- C124 H94 Au2 B2 F8 N8 O12 P10 -","2","1","","Ainscough, Eric W.; Brodie, Andrew M.; Chaplin, Adrian B.; O'Connor, Joy M; Otter, Carl A.","Gold(I) and platinum(II) complexes with a new diphosphine ligand based on the cyclotriphosphazene platform.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1264","1266","10.1039/b517309b","","","0.71073","MoKα","","0.0304","0.0254","","","0.0569","0.0638","","","","","","1.117","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007096","8.4045","0.0019","8.751","0.002","10.632","0.002","66.673","0.004","72.566","0.004","70.69","0.004","664.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cu N2 O6 P2 -","- C10 H10 Cu N2 O6 P2 -","- C20 H20 Cu2 N4 O12 P4 -","2","1","","Ma, Yun-Sheng; Song, You; Du, Wen-Xin; Li, Yi-Zhi; Zheng, Li-Min","Dinuclear and layered copper 2-pyridylphosphonates with weak ferromagnetism observed in layer compound Cu(C5H4NPO3).","Dalton transactions (Cambridge, England : 2003)","2006","","26","3228","3235","10.1039/b517311f","","","0.71073","MoKα","","0.08","0.0613","","","0.132","0.14","","","","","","1.05","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007097","7.9544","0.0017","21.579","0.004","5.0243","0.001","90","","105.332","0.003","90","","831.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cu3 N2 O10 P2 -","- C10 H14 Cu3 N2 O10 P2 -","- C20 H28 Cu6 N4 O20 P4 -","2","0.5","","Ma, Yun-Sheng; Song, You; Du, Wen-Xin; Li, Yi-Zhi; Zheng, Li-Min","Dinuclear and layered copper 2-pyridylphosphonates with weak ferromagnetism observed in layer compound Cu(C5H4NPO3).","Dalton transactions (Cambridge, England : 2003)","2006","","26","3228","3235","10.1039/b517311f","","","0.71073","MoKα","","0.0847","0.0613","","","0.1169","0.1214","","","","","","1.142","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007098","4.7793","0.0011","15.319","0.003","8.6022","0.0019","90","","97.156","0.004","90","","624.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Cu N O3 P -","- C5 H4 Cu N O3 P -","- C20 H16 Cu4 N4 O12 P4 -","4","1","","Ma, Yun-Sheng; Song, You; Du, Wen-Xin; Li, Yi-Zhi; Zheng, Li-Min","Dinuclear and layered copper 2-pyridylphosphonates with weak ferromagnetism observed in layer compound Cu(C5H4NPO3).","Dalton transactions (Cambridge, England : 2003)","2006","","26","3228","3235","10.1039/b517311f","","","0.71073","MoKα","","0.0385","0.0314","","","0.0766","0.0806","","","","","","1.084","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007099","10.1355","0.0006","15.4673","0.0009","9.174","0.0005","90","","107.93","0.001","90","","1368.35","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 Cd Cl0 N O8 -","- C11 H19 Cd N O8 -","- C44 H76 Cd4 N4 O32 -","4","1","","Fang, Qian-Rong; Zhu, Guang-Shan; Xue, Ming; Sun, Jin-Yu; Qiu, Shi-Lun","Porous coordination polymers with zeolite topologies constructed from 4-connected building units.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2399","2402","10.1039/b517400g","","","0.71073","MoKα","","0.0266","0.0264","","","0.1019","0.1025","","","","","","1.02","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007100","9.2484","0.0018","15.569","0.003","8.6385","0.0017","90","","95.42","0.03","90","","1238.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cd O6 -","- C9 H9 Cd O6 -","- C36 H36 Cd4 O24 -","4","1","","Fang, Qian-Rong; Zhu, Guang-Shan; Xue, Ming; Sun, Jin-Yu; Qiu, Shi-Lun","Porous coordination polymers with zeolite topologies constructed from 4-connected building units.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2399","2402","10.1039/b517400g","","","0.71073","MoKα","","0.098","0.0496","","","0.093","0.0988","","","","","","1.018","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007101","12.471","0.003","14.195","0.003","15.05","0.003","109.18","0.03","94.03","0.03","91.87","0.03","2505.7","1.1","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C44 H60 Cl2 Cr N11 Ni O8 -","- C44 H60 Cl2 Cr N11 Ni O8 -","- C88 H120 Cl4 Cr2 N22 Ni2 O16 -","2","1","","Rebilly, Jean-Noël; Catala, Laure; Charron, Gaëlle; Rogez, Guillaume; Rivière, Eric; Guillot, Régis; Thuéry, Pierre; Barra, Anne-Laure; Mallah, Talal","Magnetic anisotropy of two trinuclear and tetranuclear Cr(III)Ni(II) cyanide-bridged complexes with spin ground states S = 4 and 5.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2818","2828","10.1039/b517417a","","x-ray","0.71073","MoKα","","0.082","0.0529","","","0.1287","0.1489","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007102","17.623","0.004","9.689","0.0019","37.496","0.008","90","","100.46","0.03","90","","6296","2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H100 Cr2 N18 Ni O11 -","- C46 H66 Cr2 N18 Ni O11 -","- C184 H264 Cr8 N72 Ni4 O44 -","4","0.5","","Rebilly, Jean-Noël; Catala, Laure; Charron, Gaëlle; Rogez, Guillaume; Rivière, Eric; Guillot, Régis; Thuéry, Pierre; Barra, Anne-Laure; Mallah, Talal","Magnetic anisotropy of two trinuclear and tetranuclear Cr(III)Ni(II) cyanide-bridged complexes with spin ground states S = 4 and 5.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2818","2828","10.1039/b517417a","","","0.71073","MoKα","","0.1503","0.0935","","","0.2455","0.2859","","","","","","1.025","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007103","21.734","0.003","7.535","0.001","6.937","0.001","90","","107.77","0.01","90","","1081.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","1,12-bis(trimethylsilylethynyl)-para-carborane","1,12-bis(trimethylsilylethynyl)-para-carborane","","- C12 H28 B10 Si2 -","- C12 H28 B10 Si2 -","- C24 H56 B20 Si4 -","2","0.25","","Fox, Mark A.; Cameron, Audrey M.; Low, Paul J.; Paterson, Michael A. J.; Batsanov, Andrei S.; Goeta, Andrés E; Rankin, David W. H.; Robertson, Heather E.; Schirlin, Julien T.","Synthetic and structural studies on C-ethynyl- and C-bromo-carboranes.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3544","3560","10.1039/b517538k","","","0.71073","MoKα","","0.032","0.0305","","","0.0815","0.0827","","","","","","1.145","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007104","7.0131","0.0004","20.751","0.0012","7.0409","0.0004","90","","98.85","0.01","90","","1012.45","0.1","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-ethynyl-ortho-carborane","1-ethynyl-ortho-carborane","","- C4 H12 B10 -","- C4 H12 B10 -","- C16 H48 B40 -","4","1","","Fox, Mark A.; Cameron, Audrey M.; Low, Paul J.; Paterson, Michael A. J.; Batsanov, Andrei S.; Goeta, Andrés E; Rankin, David W. H.; Robertson, Heather E.; Schirlin, Julien T.","Synthetic and structural studies on C-ethynyl- and C-bromo-carboranes.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3544","3560","10.1039/b517538k","","","0.71073","MoKα","","0.0574","0.0455","","","0.1234","0.134","","","","","","1.07","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007105","7.0941","0.0004","7.1764","0.0004","10.851","0.001","90","","104","0.01","90","","536.02","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,12-dibromo-para-carborane","1,12-dibromo-para-carborane","","- C2 H10 B10 Br2 -","- C2 H10 B10 Br2 -","- C4 H20 B20 Br4 -","2","0.5","","Fox, Mark A.; Cameron, Audrey M.; Low, Paul J.; Paterson, Michael A. J.; Batsanov, Andrei S.; Goeta, Andrés E; Rankin, David W. H.; Robertson, Heather E.; Schirlin, Julien T.","Synthetic and structural studies on C-ethynyl- and C-bromo-carboranes.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3544","3560","10.1039/b517538k","","","0.71073","MoKα","","0.0262","0.0224","","","0.0539","0.0551","","","","","","1.119","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007106","6.498","0.0004","11.101","0.001","18.698","0.002","90","","90","","90","","1348.8","0.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","trans-1,2-dibromo-1,2-bis(trimethylsilyl)-ethene","trans-1,2-dibromo-1,2-bis(trimethylsilyl)-ethene","","- C8 H18 Br2 Si2 -","- C8 H18 Br2 Si2 -","- C32 H72 Br8 Si8 -","4","0.5","","Fox, Mark A.; Cameron, Audrey M.; Low, Paul J.; Paterson, Michael A. J.; Batsanov, Andrei S.; Goeta, Andrés E; Rankin, David W. H.; Robertson, Heather E.; Schirlin, Julien T.","Synthetic and structural studies on C-ethynyl- and C-bromo-carboranes.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3544","3560","10.1039/b517538k","","","0.71073","MoKα","","0.0255","0.0195","","","0.0476","0.0503","","","","","","1.054","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007107","7.2696","0.0008","7.5132","0.0008","10.9317","0.0011","83.05","0.01","73.66","0.01","80.34","0.01","563.11","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","solid solution of 1-ethynyl-12-bromo-para-carborane in 1,12- bis(ethynyl)-para-carborane (1:2)","solid solution of 1-ethynyl-12-bromo-para-carborane in 1,12-bis(ethynyl)-para-carborane (1:2)","","- C5.34 H11.67 B10 Br0.33 -","- C5.32 H11.66 B10 Br0.34 -","- C10.64 H23.32 B20 Br0.68 -","2","1","","Fox, Mark A.; Cameron, Audrey M.; Low, Paul J.; Paterson, Michael A. J.; Batsanov, Andrei S.; Goeta, Andrés E; Rankin, David W. H.; Robertson, Heather E.; Schirlin, Julien T.","Synthetic and structural studies on C-ethynyl- and C-bromo-carboranes.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3544","3560","10.1039/b517538k","","","0.71073","MoKα","","0.0844","0.071","","","0.215","0.2285","","","","","","1.085","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007108","36.7531","0.0015","37.8287","0.0016","14.935","0.0007","90","","90","","90","","20764.5","1.6","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C107 H84 F24 N16 Ni2 P4 -","- C107 H84 F24 N16 Ni2 P4 -","- C856 H672 F192 N128 Ni16 P32 -","8","1","","Pascu, Mirela; Clarkson, Guy J.; Kariuki, Benson M.; Hannon, Michael J.","Aggregation of imine-based metallo-supramolecular architectures through pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2635","2642","10.1039/b517643c","","","1.54178","CuKα","","0.1626","0.0734","","","0.1519","0.1962","","","","","","1.007","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007109","13.4072","0.0012","20.3149","0.0017","21.2381","0.0019","76.186","0.001","87.941","0.001","87.521","0.001","5610","0.9","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C124.75 H102.75 B4 F16 Fe2 N17 -","- C124.75 H102.75 B4 F16 Fe2 N17 -","- C249.5 H205.5 B8 F32 Fe4 N34 -","2","1","","Pascu, Mirela; Clarkson, Guy J.; Kariuki, Benson M.; Hannon, Michael J.","Aggregation of imine-based metallo-supramolecular architectures through pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2635","2642","10.1039/b517643c","","","0.71073","MoKα","","0.1413","0.0769","","","0.1846","0.2191","","","","","","1.029","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007110","11.62","0.004","11.942","0.005","13.638","0.005","84.576","0.008","69.772","0.008","85.742","0.009","1766.1","1.2","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C69.5 H52 Ag2 F12 N8 O0.5 P2 -","- C69.5 H48 Ag2 F12 N8 O0.5 P2 -","- C69.5 H48 Ag2 F12 N8 O0.5 P2 -","1","0.5","","Pascu, Mirela; Clarkson, Guy J.; Kariuki, Benson M.; Hannon, Michael J.","Aggregation of imine-based metallo-supramolecular architectures through pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2635","2642","10.1039/b517643c","","","0.71073","MoKα","","0.1504","0.0648","","","0.1424","0.1736","","","","","","0.917","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007111","9.176","0.003","14.973","0.005","15.005","0.004","116.654","0.006","96.444","0.006","94.84","0.004","1809.7","1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H66 B2 Cu2 F8 N14 -","- C78 H66 B2 Cu2 F8 N14 -","- C78 H66 B2 Cu2 F8 N14 -","1","0.5","","Pascu, Mirela; Clarkson, Guy J.; Kariuki, Benson M.; Hannon, Michael J.","Aggregation of imine-based metallo-supramolecular architectures through pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2635","2642","10.1039/b517643c","","","0.71073","MoKα","","0.2788","0.1122","","","0.2308","0.2836","","","","","","0.839","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007112","12.3156","0.001","12.3623","0.0011","22.5806","0.0019","95.26","0.007","102.886","0.007","106.036","0.007","3177.5","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H40 F30 N7 O20 S10 Tb -","- C28.002 F30.006 N7.004 O20.002 S10.002 Tb -","- C56.004 F60.012 N14.008 O40.004 S20.004 Tb2 -","2","1","","Babai, Arash; Mudring, Anja-Verena","The first homoleptic bis(trifluoromethanesulfonyl)amide complex compounds of trivalent f-elements.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1828","1830","10.1039/b517694h","","","0.71073","MoKα","","0.0946","0.0647","","","0.168","0.1835","","","","","","1.038","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007113","20.1575","0.0019","14.8847","0.0008","16.1968","0.0012","90","","113.234","0.006","90","","4465.5","0.6","173","2","120","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C17 H20 F24 N5 O16 S8 Tm -","- C17.004 H20 F24.012 N5 O16.008 S8.004 Tm -","- C68.016 H80 F96.048 N20 O64.032 S32.016 Tm4 -","4","1","","Babai, Arash; Mudring, Anja-Verena","The first homoleptic bis(trifluoromethanesulfonyl)amide complex compounds of trivalent f-elements.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1828","1830","10.1039/b517694h","","","0.71073","MoKα","","0.1212","0.0938","","","0.252","0.2796","","","","","","1.066","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007114","20.1333","0.0015","14.8617","0.0009","16.2065","0.0011","90","","113.182","0.005","90","","4457.7","0.5","120","2","120","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C17 H20 F24 Lu N5 O16 S8 -","- C16.998 F23.994 Lu N5 O15.996 S7.998 -","- C67.992 F95.976 Lu4 N20 O63.984 S31.992 -","4","1","","Babai, Arash; Mudring, Anja-Verena","The first homoleptic bis(trifluoromethanesulfonyl)amide complex compounds of trivalent f-elements.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1828","1830","10.1039/b517694h","","","0.71073","MoKα","","0.0881","0.077","","","0.2134","0.224","","","","","","1.082","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007115","12.3018","0.0011","12.425","0.0011","22.5891","0.0019","94.401","0.007","102.493","0.007","105.768","0.007","3210.2","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H40 F30 N7 Nd O20 S10 -","- C27.995 F29.997 N7 Nd O19.999 S9.999 -","- C55.99 F59.994 N14 Nd2 O39.998 S19.998 -","2","1","","Babai, Arash; Mudring, Anja-Verena","The first homoleptic bis(trifluoromethanesulfonyl)amide complex compounds of trivalent f-elements.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1828","1830","10.1039/b517694h","","","0.71073","MoKα","","0.0831","0.0671","","","0.1839","0.1974","","","","","","1.069","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007116","29.235","0.005","18.748","0.003","32.554","0.006","90","","114.856","0.002","90","","16190","5","135","2","135","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C73 H0 Mn9 N48 O32.8 Re6 -","- C73 Mn9 N48 O32.8 Re6 -","- C292 Mn36 N192 O131.2 Re24 -","4","1","","Freedman, Danna E.; Bennett, Miriam V.; Long, Jeffrey R.","Symmetry-breaking substitutions of [Re(CN)8]3- into the centered, face-capped octahedral clusters (CH3OH)24M9M'6(CN)48 (M = Mn, Co; M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2006","","23","2829","2834","10.1039/b517707c","","","0.71073","MoKα","","0.0787","0.0756","","","0.2143","0.2163","","","","","","1.845","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007117","29.366","0.003","19.029","0.002","32.886","0.004","90","","114.532","0.002","90","","16718","3","178","","178","2","","","","","","","","7","C 1 c 1","C -2yc","9","na","","","- C76.5 H125 Mn9 Mo5.17 N48 O34 Re0.83 -","- C51 Mn6 Mo3.44 N32 O22.6667 Re0.56 -","- C306 Mn36 Mo20.64 N192 O136 Re3.36 -","6","1.5","","Freedman, Danna E.; Bennett, Miriam V.; Long, Jeffrey R.","Symmetry-breaking substitutions of [Re(CN)8]3- into the centered, face-capped octahedral clusters (CH3OH)24M9M'6(CN)48 (M = Mn, Co; M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2006","","23","2829","2834","10.1039/b517707c","","","0.71073","MoKα","","0.1218","0.0904","","","0.2166","0.227","","","","","","1.579","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007118","28.963","0.003","18.8097","0.0017","32.276","0.003","90","","114.586","0.002","90","","15989","3","147","","147","","","","","","","","","7","C 1 c 1","C -2yc","9","na","","","- C75 H124 Co9 Mo4.74 N48 O35 Re1.26 -","- C75 Co9 Mo4.74 N48 O35 Re1.26 -","- C300 Co36 Mo18.96 N192 O140 Re5.04 -","4","1","","Freedman, Danna E.; Bennett, Miriam V.; Long, Jeffrey R.","Symmetry-breaking substitutions of [Re(CN)8]3- into the centered, face-capped octahedral clusters (CH3OH)24M9M'6(CN)48 (M = Mn, Co; M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2006","","23","2829","2834","10.1039/b517707c","","","0.71073","MoKα","","0.1414","0.0932","","","0.2361","0.2673","","","","","","1.178","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007119","29.385","0.004","18.742","0.003","32.641","0.005","90","","114.837","0.003","90","","16314","4","179","","179","","","","","","","","","7","C 1 c 1","C -2yc","9","na","","","- C72.5 H110 Mn9 Mo3.12 N48 O30.5 Re2.88 -","- C72.5 Mn9 Mo3.12 N48 O30.5 Re2.88 -","- C290 Mn36 Mo12.48 N192 O122 Re11.52 -","4","1","","Freedman, Danna E.; Bennett, Miriam V.; Long, Jeffrey R.","Symmetry-breaking substitutions of [Re(CN)8]3- into the centered, face-capped octahedral clusters (CH3OH)24M9M'6(CN)48 (M = Mn, Co; M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2006","","23","2829","2834","10.1039/b517707c","","","0.71073","MoKα","","0.138","0.1031","","","0.2647","0.2925","","","","","","1.213","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007120","8.3342","0.0003","10.258","0.0003","11.4515","0.0004","97.223","0.001","96.787","0.001","97.01","0.001","955.08","0.06","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H10 Au Cl F4 N P S -","- C19 H10 Au Cl F4 N P S -","- C38 H20 Au2 Cl2 F8 N2 P2 S2 -","2","1","","Fernández, Eduardo J; Laguna, Antonio; López-de-Luzuriaga, José M; Monge, Miguel; Montiel, Manuel; Olmos, M. Elena; Rodríguez-Castillo, María","Synthesis, coordination to Au(I) and photophysical properties of a novel polyfluorinated benzothiazolephosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3672","3677","10.1039/b517728f","","","0.71073","MoKα","","0.0425","0.0354","","","0.0828","0.0864","","","","","","1.025","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007121","8.5376","0.0002","18.734","0.0005","14.7669","0.0004","90","","90.757","0.001","90","","2361.66","0.11","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H10 Au F9 N P S -","- C25 H10 Au F9 N P S -","- C100 H40 Au4 F36 N4 P4 S4 -","4","1","","Fernández, Eduardo J; Laguna, Antonio; López-de-Luzuriaga, José M; Monge, Miguel; Montiel, Manuel; Olmos, M. Elena; Rodríguez-Castillo, María","Synthesis, coordination to Au(I) and photophysical properties of a novel polyfluorinated benzothiazolephosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3672","3677","10.1039/b517728f","","","0.71073","MoKα","","0.0369","0.0265","","","0.0549","0.0583","","","","","","1.04","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007122","8.579","0.003","13.436","0.006","19.87","0.008","90","","90","","90","","2290.4","1.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 N2 O10 Ru3 -","- C18 H10 N2 O10 Ru3 -","- C72 H40 N8 O40 Ru12 -","4","1","","Cabeza, Javier A.; da Silva, Iván; del Río, Ignacio; Gossage, Robert A.; Miguel, Daniel; Suárez, Marta","Triruthenium carbonyl clusters derived from chiral aminooxazolines: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2450","2455","10.1039/b517758h","","","0.71073","MoKα","","0.0248","0.0228","","","0.0513","0.0525","","","","","","1.086","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007123","7.4658","0.0013","15.525","0.003","19.898","0.004","90","","90","","90","","2306.3","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H10 N2 O10 Ru3 -","- C19 H10 N2 O10 Ru3 -","- C76 H40 N8 O40 Ru12 -","4","1","","Cabeza, Javier A.; da Silva, Iván; del Río, Ignacio; Gossage, Robert A.; Miguel, Daniel; Suárez, Marta","Triruthenium carbonyl clusters derived from chiral aminooxazolines: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2450","2455","10.1039/b517758h","","","0.71073","MoKα","","0.015","0.0147","","","0.0365","0.0367","","","","","","1.03","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007124","7.758","0.003","17.703","0.007","19.581","0.008","90","","90","","90","","2689.3","1.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H14 N2 O10 Ru3 -","- C25 H14 N2 O10 Ru3 -","- C100 H56 N8 O40 Ru12 -","4","1","","Cabeza, Javier A.; da Silva, Iván; del Río, Ignacio; Gossage, Robert A.; Miguel, Daniel; Suárez, Marta","Triruthenium carbonyl clusters derived from chiral aminooxazolines: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2450","2455","10.1039/b517758h","","","0.71073","MoKα","","0.0241","0.0212","","","0.048","0.0495","","","","","","1.047","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007125","11.9888","0.0003","13.3067","0.0004","21.2775","0.0006","75.412","0.001","85.094","0.001","66.88","0.002","3020.82","0.15","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H84 Cl2 N O4 P Pt -","- C63 H84 Cl2 N O4 P Pt -","- C126 H168 Cl4 N2 O8 P2 Pt2 -","2","1","","Newman, Christopher P.; Clarkson, Guy J.; Alcock, Nathaniel W.; Rourke, Jonathan P.","Carbene or zwitterion? Competition in organoplatinum complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3321","3325","10.1039/b517874f","","","0.71073","MoKα","","0.2878","0.0898","","","0.1421","0.2043","","","","","","0.878","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007126","12.657","0.0003","15.6482","0.0004","21.4667","0.0006","90","","103.356","0.002","90","","4136.69","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H48 Co N2 P4 S4 -","- C36 H48 Co N2 P4 S4 -","- C144 H192 Co4 N8 P16 S16 -","4","0.5","","Maganas, Dimitrios; Staniland, Sarah S.; Grigoropoulos, Alexios; White, Fraser; Parsons, Simon; Robertson, Neil; Kyritsis, Panayotis; Pneumatikakis, Georgios","Structural, spectroscopic and magnetic properties of M[R2P(E)NP(E)R'2]2 complexes, M = Co, Mn, E = S, Se and R, R' = Ph or iPr. Covalency of M-S bonds from experimental data and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2301","2315","10.1039/b517938f","","","0.71073","MoKα","","0.0422","0.0327","","","0.0862","0.0901","","","","","","1.05","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007127","9.9405","0.0003","10.2453","0.0003","11.2043","0.0003","96.56","0.002","101.49","0.001","100.415","0.001","1086.35","0.05","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H50 Cl2 Mn N2 P4 S4 -","- C37 H50 Cl2 Mn N2 P4 S4 -","- C37 H50 Cl2 Mn N2 P4 S4 -","1","1","","Maganas, Dimitrios; Staniland, Sarah S.; Grigoropoulos, Alexios; White, Fraser; Parsons, Simon; Robertson, Neil; Kyritsis, Panayotis; Pneumatikakis, Georgios","Structural, spectroscopic and magnetic properties of M[R2P(E)NP(E)R'2]2 complexes, M = Co, Mn, E = S, Se and R, R' = Ph or iPr. Covalency of M-S bonds from experimental data and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2301","2315","10.1039/b517938f","","","0.71073","MoKα","","0.0455","0.0421","","","0.1012","0.1035","","","","","","1.094","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007128","9.25","0.0003","12.794","0.0004","16.34","0.0005","79.203","0.001","78.148","0.001","69.076","0.001","1753.93","0.1","150","2","150","2","","","","","","","Sarah Staniland","6","P -1","-P 1","2","","","","- C24 H56 Mn N2 P4 S4 -","- C24 H56 Mn N2 P4 S4 -","- C48 H112 Mn2 N4 P8 S8 -","2","1","","Maganas, Dimitrios; Staniland, Sarah S.; Grigoropoulos, Alexios; White, Fraser; Parsons, Simon; Robertson, Neil; Kyritsis, Panayotis; Pneumatikakis, Georgios","Structural, spectroscopic and magnetic properties of M[R2P(E)NP(E)R'2]2 complexes, M = Co, Mn, E = S, Se and R, R' = Ph or iPr. Covalency of M-S bonds from experimental data and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2301","2315","10.1039/b517938f","","","0.71073","MoKα","","0.0443","0.0384","","","0.0923","0.0957","","","","","","1.039","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007129","13.712","0.0004","13.8534","0.0004","14.1994","0.0004","65.773","0.002","82.48","0.002","70.427","0.002","2317.53","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Mn N2 P4 Se4 -","- C48 H40 Mn N2 P4 Se4 -","- C96 H80 Mn2 N4 P8 Se8 -","2","1","","Maganas, Dimitrios; Staniland, Sarah S.; Grigoropoulos, Alexios; White, Fraser; Parsons, Simon; Robertson, Neil; Kyritsis, Panayotis; Pneumatikakis, Georgios","Structural, spectroscopic and magnetic properties of M[R2P(E)NP(E)R'2]2 complexes, M = Co, Mn, E = S, Se and R, R' = Ph or iPr. Covalency of M-S bonds from experimental data and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2301","2315","10.1039/b517938f","","","0.71073","MoKα","","0.0841","0.0688","","","0.1695","0.176","","","","","","1.203","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007130","10.0561","0.0013","15.461","0.002","9.5055","0.0012","90","","107.044","0.002","90","","1413","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cu2 N2 P2 S2 -","- C28 H24 Cu2 N2 P2 S2 -","- C56 H48 Cu4 N4 P4 S4 -","2","0.5","","Zhou, Xiao-Ping; Li, Dan; Wu, Tao; Zhang, Xuanjun","Syntheses of supramolecular CuCN complexes by decomposing CuSCN: a general route to CuCN coordination polymers?","Dalton transactions (Cambridge, England : 2003)","2006","","20","2435","2443","10.1039/b517969f","","","0.71073","MoKα","","0.0539","0.0409","","","0.1009","0.1092","","","","","","1.022","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007131","8.4743","0.0005","13.183","0.0008","17.4013","0.0011","90","","90","","90","","1944","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Cu2 N8 -","- C20 H12 Cu2 N8 -","- C80 H48 Cu8 N32 -","4","1","","Zhou, Xiao-Ping; Li, Dan; Wu, Tao; Zhang, Xuanjun","Syntheses of supramolecular CuCN complexes by decomposing CuSCN: a general route to CuCN coordination polymers?","Dalton transactions (Cambridge, England : 2003)","2006","","20","2435","2443","10.1039/b517969f","","","0.71073","MoKα","","0.0307","0.0281","","","0.0703","0.0715","","","","","","1.052","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007132","8.6163","0.0008","15.7573","0.0014","14.2116","0.0014","90","","95.956","0.002","90","","1919.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cu2 N8 -","- C20 H12 Cu2 N8 -","- C80 H48 Cu8 N32 -","4","0.5","","Zhou, Xiao-Ping; Li, Dan; Wu, Tao; Zhang, Xuanjun","Syntheses of supramolecular CuCN complexes by decomposing CuSCN: a general route to CuCN coordination polymers?","Dalton transactions (Cambridge, England : 2003)","2006","","20","2435","2443","10.1039/b517969f","","","0.71073","MoKα","","0.1182","0.0989","","","0.2152","0.2289","","","","","","1.047","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007133","6.9991","0.0016","18.333","0.004","8.3381","0.0018","90","","112.652","0.004","90","","987.4","0.4","273","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H12 Cu2 N8 S -","- C20 H12 Cu2 N8 S -","- C40 H24 Cu4 N16 S2 -","2","1","","Zhou, Xiao-Ping; Li, Dan; Wu, Tao; Zhang, Xuanjun","Syntheses of supramolecular CuCN complexes by decomposing CuSCN: a general route to CuCN coordination polymers?","Dalton transactions (Cambridge, England : 2003)","2006","","20","2435","2443","10.1039/b517969f","","","0.71073","MoKα","","0.0749","0.0711","","","0.1835","0.1879","","","","","","1.107","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007134","3.814","0.003","16.187","0.011","17.468","0.012","113.292","0.01","92.875","0.012","95.627","0.011","981.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cu2 N8 S2 -","- C20 H12 Cu2 N8 S2 -","- C40 H24 Cu4 N16 S4 -","2","1","","Zhou, Xiao-Ping; Li, Dan; Wu, Tao; Zhang, Xuanjun","Syntheses of supramolecular CuCN complexes by decomposing CuSCN: a general route to CuCN coordination polymers?","Dalton transactions (Cambridge, England : 2003)","2006","","20","2435","2443","10.1039/b517969f","","","0.71073","MoKα","","0.0803","0.0614","","","0.1507","0.1717","","","","","","1.166","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007135","9.0813","0.0008","10.6974","0.0009","17.7534","0.0014","87.438","0.002","85.683","0.001","83.579","0.002","1707.8","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 F12 N6 P2 Ru -","- C32 H26 F12 N6 P2 Ru -","- C64 H52 F24 N12 P4 Ru2 -","2","1","","Hotze, Anna C. G.; Faiz, Jonathan A.; Mourtzis, Nikolaos; Pascu, Gabriel I.; Webber, Philip R. A.; Clarkson, Guy J.; Yannakopoulou, Konstantina; Pikramenou, Zoe; Hannon, Michael J.","Far-red luminescent ruthenium pyridylimine complexes; building blocks for multinuclear arrays.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3025","3034","10.1039/b518027a","","","0.71073","MoKα","","0.2104","0.0854","","","0.1279","0.1716","","","","","","0.964","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007136","11.0703","0.0012","11.8803","0.0013","13.2873","0.0015","92.061","0.008","110.294","0.01","104.768","0.011","1569.9","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H27 B Cl F4 N5 Ru -","- C33 H27 B Cl F4 N5 Ru -","- C66 H54 B2 Cl2 F8 N10 Ru2 -","2","1","","Hotze, Anna C. G.; Faiz, Jonathan A.; Mourtzis, Nikolaos; Pascu, Gabriel I.; Webber, Philip R. A.; Clarkson, Guy J.; Yannakopoulou, Konstantina; Pikramenou, Zoe; Hannon, Michael J.","Far-red luminescent ruthenium pyridylimine complexes; building blocks for multinuclear arrays.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3025","3034","10.1039/b518027a","","","0.71073","MoKα","","0.0977","0.0635","","","0.1336","0.1503","","","","","","1.02","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007137","20.67","0.02","20.64","0.02","11.329","0.011","90","","118.008","0.015","90","","4267","7","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C2 H7 N5 -","- C2 H7 N5 -","- C64 H224 N160 -","32","4","","Zhang, Xian-Ming; Zhao, Yan-Fei; Wu, Hai-Shun; Batten, Stuart R.; Ng, Seik Weng","Syntheses and structures of metal tetrazole coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3170","3178","10.1039/b518052j","","","0.71073","MoKα","","0.0844","0.0633","","","0.1569","0.1724","","","","","","1.076","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007138","6.9599","0.0019","7.0286","0.0018","12.127","0.003","90","","90","","90","","593.2","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H7 N4 Na O2 -","- C2 H7 N4 Na O2 -","- C8 H28 N16 Na4 O8 -","4","0.5","","Zhang, Xian-Ming; Zhao, Yan-Fei; Wu, Hai-Shun; Batten, Stuart R.; Ng, Seik Weng","Syntheses and structures of metal tetrazole coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3170","3178","10.1039/b518052j","","","0.71073","MoKα","","0.0667","0.0497","","","0.1188","0.129","","","","","","1.006","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007139","13.959","0.003","13.959","0.003","16.292","0.004","90","","90","","120","","2749.2","1.1","298","2","298","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C18 H27 Cu8 N39 -","- C18 H27 Cu8 N36 -","- C36 H54 Cu16 N72 -","2","0.166667","","Zhang, Xian-Ming; Zhao, Yan-Fei; Wu, Hai-Shun; Batten, Stuart R.; Ng, Seik Weng","Syntheses and structures of metal tetrazole coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3170","3178","10.1039/b518052j","","","0.71073","MoKα","","0.1139","0.0903","","","0.224","0.2355","","","","","","1.162","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007140","15.428","0.004","6.1727","0.0016","5.9765","0.0015","90","","90","","90","","569.2","0.3","298","2","298","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C2 H3 Cu2 N7 -","- C2 H3 Cu2 N7 -","- C8 H12 Cu8 N28 -","4","0.5","","Zhang, Xian-Ming; Zhao, Yan-Fei; Wu, Hai-Shun; Batten, Stuart R.; Ng, Seik Weng","Syntheses and structures of metal tetrazole coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3170","3178","10.1039/b518052j","","","0.71073","MoKα","","0.0529","0.0349","","","0.0804","0.087","","","","","","1.04","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007141","16.37","0.02","6.36","0.009","6.502","0.009","90","","90","","90","","676.9","1.6","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C2 H3 Ag2 N7 -","- C2 H3 Ag2 N7 -","- C8 H12 Ag8 N28 -","4","0.5","","Zhang, Xian-Ming; Zhao, Yan-Fei; Wu, Hai-Shun; Batten, Stuart R.; Ng, Seik Weng","Syntheses and structures of metal tetrazole coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3170","3178","10.1039/b518052j","","","0.71073","MoKα","","0.0551","0.0398","","","0.101","0.1392","","","","","","1.356","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007142","13.05","0.006","14.647","0.007","14.025","0.006","90","","90","","90","","2681","2","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C H Cu N4 -","- C H Cu N4 -","- C32 H32 Cu32 N128 -","32","4","","Zhang, Xian-Ming; Zhao, Yan-Fei; Wu, Hai-Shun; Batten, Stuart R.; Ng, Seik Weng","Syntheses and structures of metal tetrazole coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3170","3178","10.1039/b518052j","","","0.71073","MoKα","","0.1096","0.0756","","","0.1743","0.2006","","","","","","1.028","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007143","10.03","0.009","11.391","0.01","7.49","0.007","90","","100.59","0.014","90","","841.2","1.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H3 Ag N4 -","- C2 H3 Ag N4 -","- C16 H24 Ag8 N32 -","8","1","","Zhang, Xian-Ming; Zhao, Yan-Fei; Wu, Hai-Shun; Batten, Stuart R.; Ng, Seik Weng","Syntheses and structures of metal tetrazole coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3170","3178","10.1039/b518052j","","","0.71073","MoKα","","0.1447","0.0918","","","0.1814","0.2062","","","","","","1.082","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007144","10.3192","0.0005","24.9328","0.0007","15.1064","0.0012","90","","90","","90","","3886.7","0.4","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C4 H7 Ag N4 -","- C4 H7 Ag N4 -","- C96 H168 Ag24 N96 -","24","3","","Zhang, Xian-Ming; Zhao, Yan-Fei; Wu, Hai-Shun; Batten, Stuart R.; Ng, Seik Weng","Syntheses and structures of metal tetrazole coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3170","3178","10.1039/b518052j","","","0.71073","MoKα","","0.0388","0.0352","","","0.0865","0.0883","","","","","","1.047","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007145","6.2687","0.0008","7.8594","0.0011","8.0612","0.0011","75.166","0.002","76.621","0.002","68.327","0.002","352.62","0.08","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 Ag N5 -","- C6 H4 Ag N5 -","- C12 H8 Ag2 N10 -","2","1","","Zhang, Xian-Ming; Zhao, Yan-Fei; Wu, Hai-Shun; Batten, Stuart R.; Ng, Seik Weng","Syntheses and structures of metal tetrazole coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3170","3178","10.1039/b518052j","","","0.71073","MoKα","","0.0338","0.0301","","","0.0723","0.0745","","","","","","1.075","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007146","10.2283","0.0011","18.9578","0.0012","21.8874","0.0019","90","","90","","90","","4244.1","0.6","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H66 N2 O4 Ti -","- C42 H66 N2 O4 Ti -","- C168 H264 N8 O16 Ti4 -","4","1","","Gregson, Charlotte K. A.; Blackmore, Ian J.; Gibson, Vernon C.; Long, Nicholas J.; Marshall, Edward L.; White, Andrew J. P.","Titanium-salen complexes as initiators for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3134","3140","10.1039/b518266b","","","1.54178","CuKα","","0.0809","0.0571","","","0.1212","0.132","","","","","","1.03","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007147","14.0816","0.0019","21.908","0.003","25.635","0.003","90","","103.888","0.004","90","","7677.2","1.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H54 Cu3 N8 O44 Si W12 -","- C52 H54 Cu3 N8 O44 Si W12 -","- C208 H216 Cu12 N32 O176 Si4 W48 -","4","1","","Ritchie, Chris; Burkholder, Eric; Kögerler, Paul; Cronin, Leroy","Unsymmetrical surface modification of a heteropolyoxotungstate via in-situ generation of monomeric and dimeric copper(II) species.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1712","1714","10.1039/b518316b","","x-ray","0.71073","MoKα","","0.072","0.0405","","","0.0813","0.093","","","","","","1.026","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007148","8.733","0.0007","15.474","0.0012","20.6286","0.0016","90","","90","","90","","2787.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(N((C3F7)C(Mes)N)2)H-Ortho","","","- C26 H23 F14 N3 -","- C26 H23 F14 N3 -","- C104 H92 F56 N12 -","4","1","","Dias, H. V. Rasika; Singh, Shreeyukta","Monomeric lithium triazapentadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1995","2000","10.1039/b518464a","","","0.71073","MoKα","","0.0992","0.0611","","","0.1409","0.1595","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007149","8.6348","0.0007","31.192","0.003","20.2678","0.0017","90","","90.535","0.001","90","","5458.6","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(N((C3F7)C(Mes)N)2)H-Mono","","","- C26 H23 F14 N3 -","- C26 H23 F14 N3 -","- C208 H184 F112 N24 -","8","2","","Dias, H. V. Rasika; Singh, Shreeyukta","Monomeric lithium triazapentadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1995","2000","10.1039/b518464a","","","0.71073","MoKα","","0.1055","0.0711","","","0.1348","0.1467","","","","","","1.131","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007150","9.4688","0.0004","15.9577","0.0006","12.6133","0.0005","90","","104.568","0.001","90","","1844.6","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","(N((C3F7)C(Mes)N)2)Li(THF)2","","","- C34 H37 F14 Li N3 O2 -","- C34 H37 F14 Li N3 O2 -","- C68 H74 F28 Li2 N6 O4 -","2","1","","Dias, H. V. Rasika; Singh, Shreeyukta","Monomeric lithium triazapentadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1995","2000","10.1039/b518464a","","","0.71073","MoKα","","0.0499","0.0491","","","0.1339","0.135","","","","","","1.044","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007151","13.591","0.0005","15.2401","0.0006","18.651","0.0007","90","","91.437","0.001","90","","3861.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(N((C3F7)C(Dipp)N)2)Li(THF)","","","- C36 H42 F14 Li N3 O -","- C36 H42 F14 Li N3 O -","- C144 H168 F56 Li4 N12 O4 -","4","1","","Dias, H. V. Rasika; Singh, Shreeyukta","Monomeric lithium triazapentadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1995","2000","10.1039/b518464a","","","0.71073","MoKα","","0.0646","0.0558","","","0.1295","0.1362","","","","","","1.045","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007152","16.766","0.012","13.565","0.013","24.967","0.019","90","","103.8","0.04","90","","5514","8","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44.86 H31.08 B3 Cu3 F12 N20.86 O6.02 -","- C44.859 H31.077 B3 Cu3 F12 N20.859 O6.018 -","- C179.436 H124.308 B12 Cu12 F48 N83.436 O24.072 -","4","1","","Shatruk, Mikhail; Chouai, Abdellatif; Dunbar, Kim R.","Influence of anions on the dimensionality of extended networks based on Cu I cations and 1,4,5,8,9,12-hexaazatriphenylene (HAT) ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2184","2191","10.1039/b600306k","","","0.71073","MoKα","","0.1301","0.0753","","","0.1847","0.2153","","","","","","1.019","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007153","11.4992","0.0003","11.4992","0.0003","12.7341","0.0006","90","","90","","90","","1683.85","0.1","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H6 Cu F6 N6 P -","- C12 H6 Cu F6 N6 P -","- C48 H24 Cu4 F24 N24 P4 -","4","0.5","","Shatruk, Mikhail; Chouai, Abdellatif; Dunbar, Kim R.","Influence of anions on the dimensionality of extended networks based on Cu I cations and 1,4,5,8,9,12-hexaazatriphenylene (HAT) ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2184","2191","10.1039/b600306k","","","0.71073","MoKα","","0.0658","0.0651","","","0.1877","0.1882","","","","","","1.232","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007154","13.3899","0.0018","14.2532","0.0016","37.468","0.005","90","","90","","90","","7150.7","1.6","155","2","155","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C56 H42 Cu4 F24 N20 O4 Sb4 -","- C56 H42 Cu4 F24 N20 O4 Sb4 -","- C224 H168 Cu16 F96 N80 O16 Sb16 -","4","1","","Shatruk, Mikhail; Chouai, Abdellatif; Dunbar, Kim R.","Influence of anions on the dimensionality of extended networks based on Cu I cations and 1,4,5,8,9,12-hexaazatriphenylene (HAT) ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2184","2191","10.1039/b600306k","","","0.71073","MoKα","","0.0625","0.0553","","","0.1363","0.1405","","","","","","1.113","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007155","8.3147","0.0001","13.5527","0.0002","13.4095","0.0002","90","","103.696","0.001","90","","1468.11","0.04","150","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrachlorobis(1,10-phenanthroline-5,6-dione)dicopper(ii) acetonitrile clathrate","tetrachlorobis(1,10-phenanthroline-5,6-dione)dicopper(II) acetonitrile clathrate","","- C14 H9 Cl2 Cu N3 O2 -","- C14 H9 Cl2 Cu N3 O2 -","- C56 H36 Cl8 Cu4 N12 O8 -","4","1","","Stephenson, Maria D.; Hardie, Michaele J.","Coordination and hydrogen bonded network structures of Cu(II) with mixed ligands: a hybrid hydrogen bonded material, an infinite sandwich arrangement, and a 3-D net.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3407","3417","10.1039/b600357e","","","0.71073","MoKα","","0.0575","0.0357","","","0.0866","0.0947","","","","","","1.024","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007156","15.158","0.003","12.213","0.002","14.874","0.003","90","","90","","90","","2753.5","0.9","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","nitrobis(1,10-phenanthroline-5,6-dione)copper(ii) nitrate acetonitrile clathrate","nitrobis(1,10-phenanthroline-5,6-dione)copper(II) nitrate acetonitrile clathrate","","- C26 H15 Cu N7 O10 -","- C26 H15 Cu N7 O10 -","- C104 H60 Cu4 N28 O40 -","4","0.5","","Stephenson, Maria D.; Hardie, Michaele J.","Coordination and hydrogen bonded network structures of Cu(II) with mixed ligands: a hybrid hydrogen bonded material, an infinite sandwich arrangement, and a 3-D net.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3407","3417","10.1039/b600357e","","","0.71073","MoKα","","0.0878","0.0744","","","0.226","0.2383","","","","","","1.166","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007157","14.4198","0.0004","12.2319","0.0003","14.9169","0.0005","90","","90","","90","","2631.07","0.13","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","bromobis(1,10-phenanthroline-5,6-dione)copper(ii) bromide ethanol clathrate","bromobis(1,10-phenanthroline-5,6-dione)copper(II) bromide ethanol clathrate","","- C26 H20 Br2 Cu N4 O6 -","- C26 H20 Br2 Cu N4 O6 -","- C104 H80 Br8 Cu4 N16 O24 -","4","0.5","","Stephenson, Maria D.; Hardie, Michaele J.","Coordination and hydrogen bonded network structures of Cu(II) with mixed ligands: a hybrid hydrogen bonded material, an infinite sandwich arrangement, and a 3-D net.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3407","3417","10.1039/b600357e","","","0.71073","MoKα","","0.0888","0.0522","","","0.148","0.1693","","","","","","1.069","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007158","41.33","0.005","8.3836","0.0019","12.939","0.003","90","","90","","90","","4483.3","1.6","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","dibromobis(1,10-phenanthroline-5,6-dione)copper(ii)","dibromobis(1,10-phenanthroline-5,6-dione)copper(II)","","- C24 H12 Br2 Cu N4 O4 -","- C24 H12 Br2 Cu N4 O4 -","- C192 H96 Br16 Cu8 N32 O32 -","8","0.5","","Stephenson, Maria D.; Hardie, Michaele J.","Coordination and hydrogen bonded network structures of Cu(II) with mixed ligands: a hybrid hydrogen bonded material, an infinite sandwich arrangement, and a 3-D net.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3407","3417","10.1039/b600357e","","","0.71073","MoKα","","0.1036","0.0862","","","0.2072","0.2163","","","","","","0.982","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007159","14.1807","0.0004","16.477","0.0003","16.5025","0.0004","60.993","0.001","68.484","0.001","81.329","0.002","3135.48","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","bis(1,10-phenanthroline-5,6-dione)bis(benzene-1-carboxylate- 2,3-carboxylic acid) copper(ii) 1,3,5-benzene-1,3,5-tricarboxylic acid 2,2,2-trifluoroethanol water clathrate","bis(1,10-phenanthroline-5,6-dione)bis(benzene-1-carboxylate-2,3-carboxylic acid) copper(II) 1,3,5-benzene-1,3,5-tricarboxylic acid 2,2,2-trifluoroethanol water clathrate","","- C63.3 H48.95 Cu F4.95 N4 O32.15 -","- C63.3 H38.95 Cu F4.95 N4 O32.15 -","- C126.6 H77.9 Cu2 F9.9 N8 O64.3 -","2","1","","Stephenson, Maria D.; Hardie, Michaele J.","Coordination and hydrogen bonded network structures of Cu(II) with mixed ligands: a hybrid hydrogen bonded material, an infinite sandwich arrangement, and a 3-D net.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3407","3417","10.1039/b600357e","","","0.71073","MoKα","","0.139","0.1176","","","0.3207","0.337","","","","","","1.105","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007160","11.814","0.002","13.632","0.003","15.322","0.003","68.78","0.03","79.24","0.03","76.93","0.03","2225.7","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","tetra(benzene-1-carboxylate-3,5-carboxylic acid)bis(1,10- phenanthroline) dicopper(ii)benzene-1,3,5-carboxylic acid","tetra(benzene-1-carboxylate-3,5-carboxylic acid)bis(1,10-phenanthroline) dicopper(II)benzene-1,3,5-carboxylic acid","","- C39 H24 Cu N2 O18 -","- C39 H24 Cu N2 O18 -","- C78 H48 Cu2 N4 O36 -","2","1","","Stephenson, Maria D.; Hardie, Michaele J.","Coordination and hydrogen bonded network structures of Cu(II) with mixed ligands: a hybrid hydrogen bonded material, an infinite sandwich arrangement, and a 3-D net.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3407","3417","10.1039/b600357e","","","0.71073","MoKα","","0.1208","0.0938","","","0.2506","0.2707","","","","","","1.008","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007161","11.6784","0.0019","12.059","0.002","13.805","0.002","66.665","0.018","75.993","0.018","87.914","0.019","1728.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H13 Cl15 Gd N O13 -","- C11 H13 Cl15 Gd N O13 -","- C22 H26 Cl30 Gd2 N2 O26 -","2","1","","Rohde, Alexander; Urland, Werner","Synthesis, crystal structures and magnetic behaviour of dimeric and tetrameric gadolinium carboxylates with trichloroacetic acid.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2974","2978","10.1039/b600368k","","x-ray","0.71073","MoKα","","0.0639","0.0419","","","0.0919","0.0999","","","","","","0.898","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007162","13.9577","0.0012","14.521","0.0013","20.351","0.002","89.839","0.012","95.096","0.011","112.751","0.01","3786.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H12 Cl30 Gd4 N2 O32 -","- C22 H12 Cl30 Gd4 N2 O32 -","- C44 H24 Cl60 Gd8 N4 O64 -","2","1","","Rohde, Alexander; Urland, Werner","Synthesis, crystal structures and magnetic behaviour of dimeric and tetrameric gadolinium carboxylates with trichloroacetic acid.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2974","2978","10.1039/b600368k","","x-ray","0.71073","MoKα","","0.0986","0.061","","","0.1439","0.1579","","","","","","0.889","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007163","9.37","0.0007","7.441","0.0006","28.278","0.002","90","","99.039","0.006","90","","1947.1","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Ni O6 S20 -","- C30 H16 Ni O6 S20 -","- C60 H32 Ni2 O12 S40 -","2","0.5","","Deplano, Paola; Faulmann, Christophe; Mercuri, Maria Laura; Pilia, Luca; Salidu, Marco; Serpe, Angela","Synthesis, crystal structure and properties of the semiconducting salts (TTF)2[Ni(dtcr)2] and (ET)2[Ni(dtcr)2] based on [Ni(dtcr)2] dianions (dtcr = dithiocroconate).","Dalton transactions (Cambridge, England : 2003)","2006","","20","2456","2462","10.1039/b600820h","","","0.71069","MoKα","","0.0599","0.034","","","0.0604","0.0654","","","","","","0.896","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007164","8.634","0.0008","21.586","0.002","7.596","0.0008","90","","95.625","0.011","90","","1408.9","0.2","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H8 Ni O6 S12 -","- C22 H8 Ni O6 S12 -","- C44 H16 Ni2 O12 S24 -","2","0.5","","Deplano, Paola; Faulmann, Christophe; Mercuri, Maria Laura; Pilia, Luca; Salidu, Marco; Serpe, Angela","Synthesis, crystal structure and properties of the semiconducting salts (TTF)2[Ni(dtcr)2] and (ET)2[Ni(dtcr)2] based on [Ni(dtcr)2] dianions (dtcr = dithiocroconate).","Dalton transactions (Cambridge, England : 2003)","2006","","20","2456","2462","10.1039/b600820h","","","0.71069","MoKα","","0.0954","0.0414","","","0.059","0.0687","","","","","","0.89","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007165","16.743","0.003","15.594","0.003","19.512","0.003","90","","90","","90","","5094.4","1.6","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H38 Cl2 P2 Pd -","- C24 H38 Cl2 P2 Pd -","- C192 H304 Cl16 P16 Pd8 -","8","1","","Bellabarba, Ronan M.; Hammond, Colin; Forman, Grant S.; Tooze, Robert P.; Slawin, Alexandra M. Z.","1,8-Dimethylnaphthalene-bridged diphosphine ligands: synthesis and structural comparison of their palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2444","2449","10.1039/b600837b","","","0.71073","MoKα","","0.0905","0.0751","","","0.144","0.1497","","","","","","1.221","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007166","12.898","0.003","17.223","0.004","18.723","0.004","83.18","0.02","76.28","0.02","79.56","0.02","3961.1","1.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H57 Cl5 P2 Pd -","- C37.5 H56 Cl5.005 P2 Pd -","- C150 H224 Cl20.02 P8 Pd4 -","4","2","","Bellabarba, Ronan M.; Hammond, Colin; Forman, Grant S.; Tooze, Robert P.; Slawin, Alexandra M. Z.","1,8-Dimethylnaphthalene-bridged diphosphine ligands: synthesis and structural comparison of their palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2444","2449","10.1039/b600837b","","","0.71073","MoKα","","0.1806","0.1059","","","0.2094","0.2592","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007167","11.244","0.003","17.85","0.004","14.521","0.004","90","","111.69","0.006","90","","2708.1","1.2","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 P2 -","- C28 H46 P2 -","- C112 H184 P8 -","4","1","","Bellabarba, Ronan M.; Hammond, Colin; Forman, Grant S.; Tooze, Robert P.; Slawin, Alexandra M. Z.","1,8-Dimethylnaphthalene-bridged diphosphine ligands: synthesis and structural comparison of their palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2444","2449","10.1039/b600837b","","","0.71073","MoKα","","0.0656","0.0513","","","0.1175","0.1259","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007168","14.0551","0.0008","19.4716","0.0008","15.9493","0.0008","90","","109.305","0.004","90","","4119.5","0.4","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H60 O2 P2 Pd -","- C45 H60 O2 P2 Pd -","- C180 H240 O8 P8 Pd4 -","4","2","","Bellabarba, Ronan M.; Hammond, Colin; Forman, Grant S.; Tooze, Robert P.; Slawin, Alexandra M. Z.","1,8-Dimethylnaphthalene-bridged diphosphine ligands: synthesis and structural comparison of their palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2444","2449","10.1039/b600837b","","","0.71073","MoKα","","0.1455","0.1309","","","0.3007","0.3122","","","","","","1.038","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007169","11.042","0.002","18.354","0.004","22.234","0.004","90","","90.183","0.006","90","","4506","1.5","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H68 O P2 Pd -","- C53 H68 O P2 Pd -","- C212 H272 O4 P8 Pd4 -","4","1","","Bellabarba, Ronan M.; Hammond, Colin; Forman, Grant S.; Tooze, Robert P.; Slawin, Alexandra M. Z.","1,8-Dimethylnaphthalene-bridged diphosphine ligands: synthesis and structural comparison of their palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2444","2449","10.1039/b600837b","","","0.71073","MoKα","","0.0863","0.0564","","","0.1087","0.1219","","","","","","1.087","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007170","13.479","0.008","17.557","0.009","20.69","0.011","90","","109.03","0.008","90","","4629","4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H54 O2 P2 Pd -","- C57 H54 O2 P2 Pd -","- C228 H216 O8 P8 Pd4 -","4","1","","Bellabarba, Ronan M.; Hammond, Colin; Forman, Grant S.; Tooze, Robert P.; Slawin, Alexandra M. Z.","1,8-Dimethylnaphthalene-bridged diphosphine ligands: synthesis and structural comparison of their palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2444","2449","10.1039/b600837b","","","0.71073","MoKα","","0.0685","0.0592","","","0.1372","0.145","","","","","","1.097","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007171","14.289","0.004","9.536","0.003","20.54","0.005","90","","105.88","0.05","90","","2692","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19.75 H20 B Cu F12 N4 -","- C19.75 H20 B Cu F12 N4 -","- C79 H80 B4 Cu4 F48 N16 -","4","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Synthesis, characterization and olefin/CO exchange reactions of pyrazolylborato complexes of copper(I).","Dalton transactions (Cambridge, England : 2003)","2006","","29","3576","3583","10.1039/b600915h","","","0.71073","MoKα","","0.0864","0.0484","","","0.1296","0.1468","","","","","","0.907","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007172","10.656","0.002","8.994","0.002","12.649","0.003","90","","103.75","0.005","90","","1177.5","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H14 B Cu F12 N4 O -","- C19 H14 B Cu F12 N4 O -","- C38 H28 B2 Cu2 F24 N8 O2 -","2","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Synthesis, characterization and olefin/CO exchange reactions of pyrazolylborato complexes of copper(I).","Dalton transactions (Cambridge, England : 2003)","2006","","29","3576","3583","10.1039/b600915h","","","0.71073","MoKα","","0.0806","0.0569","","","0.1415","0.1602","","","","","","1.035","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007173","15.496","0.002","8.598","0.001","20.795","0.002","90","","106.52","0.01","90","","2656.2","0.5","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 B Cu F12 N4 Si -","- C18 H22 B Cu F12 N4 Si -","- C72 H88 B4 Cu4 F48 N16 Si4 -","4","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Synthesis, characterization and olefin/CO exchange reactions of pyrazolylborato complexes of copper(I).","Dalton transactions (Cambridge, England : 2003)","2006","","29","3576","3583","10.1039/b600915h","","","1.54184","CuKα","","0.1055","0.0604","","","0.1572","0.1897","","","","","","0.868","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007174","9.182","0.004","15.203","0.005","8.306","0.004","86.821","0.004","89.007","0.004","96.839","0.005","1149.1","0.8","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C15.75 H8 B Cu F12 N6 -","- C15.75 H8 B Cu F12 N6 -","- C31.5 H16 B2 Cu2 F24 N12 -","2","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Synthesis, characterization and olefin/CO exchange reactions of pyrazolylborato complexes of copper(I).","Dalton transactions (Cambridge, England : 2003)","2006","","29","3576","3583","10.1039/b600915h","","","1.54184","CuKα","","0.0737","0.0638","","","0.1741","0.1854","","","","","","1.034","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007175","10.023","0.001","18.636","0.002","12.37","0.001","90","","101.087","0.001","90","","2267.5","0.4","113.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H78 N5 O Si4 Y -","- C35 H78 N5 O Si4 Y -","- C70 H156 N10 O2 Si8 Y2 -","2","1","","Westmoreland, Ian; Arnold, John","Phenoxytriamine complexes of yttrium: synthesis, structure and use in the polymerization of lactide and epsilon-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4155","4163","10.1039/b600939e","","","0.7107","MoKα","","0.0624","0.0347","","0.0513","","0.04","","","","","","0.686","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007176","10.6259","0.0007","13.6492","0.0011","11.9265","0.0009","90","","107.937","0.007","90","","1645.7","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H38 Cl2 O4 P2 Pd -","- C33 H38 Cl2 O4 P2 Pd -","- C66 H76 Cl4 O8 P4 Pd2 -","2","1","","Bianchini, Claudio; Brüggeller, Peter; Claver, Carmen; Czermak, Georg; Dumfort, Alexander; Meli, Andrea; Oberhauser, Werner; Garcia Suarez, Eduardo J.","Synthesis and characterization of palladium(II) complexes with new diphosphonium-diphosphine and diphosphine ligands. Production of low molecular weight alternating polyketones via catalytic CO/ethene copolymerisation.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2964","2973","10.1039/b601154c","","","0.71073","MoKα","","0.1015","0.0451","","","0.0808","0.0949","","","","","","0.855","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007177","14.3205","0.0002","20.4675","0.0003","24.5985","0.0003","90","","91.8346","0.0009","90","","7206.24","0.17","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H74 Cl2 F12 O10 P6 Pd -","- C67 H74 Cl2 F12 O10 P6 Pd -","- C268 H296 Cl8 F48 O40 P24 Pd4 -","4","1","","Bianchini, Claudio; Brüggeller, Peter; Claver, Carmen; Czermak, Georg; Dumfort, Alexander; Meli, Andrea; Oberhauser, Werner; Garcia Suarez, Eduardo J.","Synthesis and characterization of palladium(II) complexes with new diphosphonium-diphosphine and diphosphine ligands. Production of low molecular weight alternating polyketones via catalytic CO/ethene copolymerisation.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2964","2973","10.1039/b601154c","","","0.71073","MoKα","","0.1017","0.0477","","","0.1497","0.1685","","","","","","1.017","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007178","14.9993","0.0004","15.3885","0.0003","32.7501","0.0007","89.639","0.001","85.97","0.001","87.721","0.001","7534.6","0.3","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C142 H248 Li6 N12 P6 -","- C142 H232 Li6 N12 P6 -","- C284 H464 Li12 N24 P12 -","2","1","","Mansfield, Natalie E.; Coles, Martyn P.; Hitchcock, Peter B.","The effect of P-cyclohexyl groups on the coordination chemistry of phosphaguanidinates.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2052","2054","10.1039/b601235c","","x-ray","0.71073","MoKα","","0.2003","0.106","","","0.2359","0.2899","","","","","","1.014","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007179","11.983","0.0003","10.8349","0.0003","16.3276","0.0004","90","","108.076","0.002","90","","2015.26","0.09","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H72 Co N4 P2 -","- C38 H72 Co N4 P2 -","- C76 H144 Co2 N8 P4 -","2","0.5","","Mansfield, Natalie E.; Coles, Martyn P.; Hitchcock, Peter B.","The effect of P-cyclohexyl groups on the coordination chemistry of phosphaguanidinates.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2052","2054","10.1039/b601235c","","x-ray","0.71073","MoKα","","0.0473","0.0334","","","0.0738","0.0798","","","","","","1.03","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007180","13.9717","0.0005","14.9505","0.0006","15.6364","0.0006","98.682","0.002","101.23","0.002","104.513","0.001","3032","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H90 Cl2 O8 U -","- C62 H90 Cl2 O8 U -","- C124 H180 Cl4 O16 U2 -","2","1","","Salmon, Lionel; Thuéry, Pierre; Asfari, Zouhair; Ephritikhine, Michel","Synthesis, crystal structure and reactivity of uranium(IV) complexes with p-tert-butylcalix[4]arene ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3006","3014","10.1039/b601237j","","","0.71073","MoKα","","0.0532","0.0409","","","0.095","0.0996","","","","","","1.036","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007181","13.9922","0.0003","14.1147","0.0003","18.5727","0.0004","98.4167","0.0007","98.0981","0.0007","119.189","0.0008","3070.59","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H78 Cl2 N4 O4 U -","- C67 H73 Cl2 N3 O4 U -","- C134 H146 Cl4 N6 O8 U2 -","2","1","","Salmon, Lionel; Thuéry, Pierre; Asfari, Zouhair; Ephritikhine, Michel","Synthesis, crystal structure and reactivity of uranium(IV) complexes with p-tert-butylcalix[4]arene ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3006","3014","10.1039/b601237j","","","0.71073","MoKα","","0.0476","0.0453","","","0.1042","0.105","","","","","","1.194","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007182","13.6389","0.0006","17.5399","0.0013","23.6723","0.0018","93.687","0.004","104.607","0.004","95.635","0.004","5430.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H74 O8.25 U -","- C57 H74 O8.25 U -","- C228 H296 O33 U4 -","4","2","","Salmon, Lionel; Thuéry, Pierre; Asfari, Zouhair; Ephritikhine, Michel","Synthesis, crystal structure and reactivity of uranium(IV) complexes with p-tert-butylcalix[4]arene ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3006","3014","10.1039/b601237j","","","0.71073","MoKα","","0.0838","0.0589","","","0.1405","0.1522","","","","","","1","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007183","13.6448","0.0002","17.5462","0.0003","23.646","0.0005","94.543","0.0007","104.259","0.0007","95.6907","0.0013","5428.13","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57.25 H73.25 N0.25 O8 U -","- C57.5 H72 O8 U -","- C230 H288 O32 U4 -","4","2","","Salmon, Lionel; Thuéry, Pierre; Asfari, Zouhair; Ephritikhine, Michel","Synthesis, crystal structure and reactivity of uranium(IV) complexes with p-tert-butylcalix[4]arene ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3006","3014","10.1039/b601237j","","","0.71073","MoKα","","0.0469","0.0315","","","0.0968","0.1025","","","","","","1.037","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007184","28.3992","0.0018","17.3865","0.0013","20.7086","0.0008","90","","118.75","0.004","90","","8964.6","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H122 N2 O8 U -","- C100 H122 N2 O8 U -","- C400 H488 N8 O32 U4 -","4","0.5","","Salmon, Lionel; Thuéry, Pierre; Asfari, Zouhair; Ephritikhine, Michel","Synthesis, crystal structure and reactivity of uranium(IV) complexes with p-tert-butylcalix[4]arene ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3006","3014","10.1039/b601237j","","","0.71073","MoKα","","0.0604","0.0463","","","0.0958","0.1021","","","","","","1.06","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007185","18.8975","0.0002","12.0922","0.0002","23.9165","0.0005","90","","103.346","0.0005","90","","5317.63","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H71 Cl2 N3 O4 U -","- C60 H71 Cl2 N3 O4 U -","- C240 H284 Cl8 N12 O16 U4 -","4","1","","Salmon, Lionel; Thuéry, Pierre; Asfari, Zouhair; Ephritikhine, Michel","Synthesis, crystal structure and reactivity of uranium(IV) complexes with p-tert-butylcalix[4]arene ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3006","3014","10.1039/b601237j","","","0.71073","MoKα","","0.0323","0.0268","","","0.0657","0.0682","","","","","","1.025","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007186","27.1062","0.0005","21.7001","0.0005","34.8421","0.0009","90","","106.145","0.002","90","","19686.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C176 H209 Cl9 N8 O13 U4 -","- C176 H208 Cl9 N8 O13 U4 -","- C704 H832 Cl36 N32 O52 U16 -","4","1","","Salmon, Lionel; Thuéry, Pierre; Asfari, Zouhair; Ephritikhine, Michel","Synthesis, crystal structure and reactivity of uranium(IV) complexes with p-tert-butylcalix[4]arene ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3006","3014","10.1039/b601237j","","","0.71073","MoKα","","0.1339","0.0768","","","0.2124","0.2382","","","","","","1.05","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007187","17.1281","0.0015","17.3621","0.0016","17.9317","0.001","90","","98.381","0.005","90","","5275.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H140 Cl2 Li2 O13 U2 -","- C104 H140 Cl2 Li2 O13 U2 -","- C208 H280 Cl4 Li4 O26 U4 -","2","0.5","","Salmon, Lionel; Thuéry, Pierre; Asfari, Zouhair; Ephritikhine, Michel","Synthesis, crystal structure and reactivity of uranium(IV) complexes with p-tert-butylcalix[4]arene ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3006","3014","10.1039/b601237j","","","0.71073","MoKα","","0.0625","0.0419","","","0.1047","0.1114","","","","","","1.063","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007188","28.0675","0.0006","17.6531","0.0006","20.9702","0.0006","90","","118.424","0.0013","90","","9137.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H120.5 N1.5 O8 U -","- C98 H120.5 N1.5 O8 U -","- C392 H482 N6 O32 U4 -","4","0.5","","Salmon, Lionel; Thuéry, Pierre; Asfari, Zouhair; Ephritikhine, Michel","Synthesis, crystal structure and reactivity of uranium(IV) complexes with p-tert-butylcalix[4]arene ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3006","3014","10.1039/b601237j","","","0.71073","MoKα","","0.0609","0.0494","","","0.1359","0.1421","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007189","12.269","0.003","12.216","0.002","20.572","0.004","90","","99.61","0.03","90","","3040","1.1","340","2","340","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine)iron(ii) diperchlorate (compound 5)","Bis[2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine]iron(II) diperchlorate (compound 5)","","- C24 H22 Cl2 Fe N10 O10 -","- C24 H22 Cl2 Fe N10 O10 -","- C96 H88 Cl8 Fe4 N40 O40 -","4","1","","Carbonera, Chiara; Sánchez Costa, José; Money, Victoria A.; Elhaïk, Jérôme; Howard, Judith A. K.; Halcrow, Malcolm A.; Létard, Jean-François","Photomagnetic properties of iron(II) spin crossover complexes of 2,6-dipyrazolylpyridine and 2,6-dipyrazolylpyrazine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3058","3066","10.1039/b601366j","","","0.71073","MoKα","","0.126","0.0891","","","0.2082","0.2367","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007190","11.969","0.002","11.986","0.002","20.094","0.004","90","","99.9","0.03","90","","2839.8","0.9","30","2","30","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine)iron(ii) diperchlorate (compound 5)","Bis[2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine]iron(II) diperchlorate (compound 5)","","- C24 H22 Cl2 Fe N10 O10 -","- C24 H22 Cl2 Fe N10 O10 -","- C96 H88 Cl8 Fe4 N40 O40 -","4","1","","Carbonera, Chiara; Sánchez Costa, José; Money, Victoria A.; Elhaïk, Jérôme; Howard, Judith A. K.; Halcrow, Malcolm A.; Létard, Jean-François","Photomagnetic properties of iron(II) spin crossover complexes of 2,6-dipyrazolylpyridine and 2,6-dipyrazolylpyrazine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3058","3066","10.1039/b601366j","","","0.71073","MoKα","","0.1503","0.1426","","","0.3375","0.3456","","","","","","1.311","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007191","12.052","0.002","12.043","0.002","20.105","0.004","90","","98.66","0.03","90","","2884.8","0.9","30","2","30","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine)iron(ii) diperchlorate (compound 5)","Bis[2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine]iron(II) diperchlorate (compound 5)","","- C24 H22 Cl2 Fe N10 O10 -","- C24 H22 Cl2 Fe N10 O10 -","- C96 H88 Cl8 Fe4 N40 O40 -","4","1","","Carbonera, Chiara; Sánchez Costa, José; Money, Victoria A.; Elhaïk, Jérôme; Howard, Judith A. K.; Halcrow, Malcolm A.; Létard, Jean-François","Photomagnetic properties of iron(II) spin crossover complexes of 2,6-dipyrazolylpyridine and 2,6-dipyrazolylpyrazine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3058","3066","10.1039/b601366j","","","0.71073","MoKα","","0.1344","0.1289","","","0.311","0.32","","","","","","1.184","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007192","9.5865","0.0014","9.5865","0.0014","17.933","0.004","90","","90","","90","","1648.1","0.5","250","2","250","2","","","","","","","","6","P -4 21 c","P -4 2n","114","Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine)iron(ii) diperchlorate (compound 6)","Bis[2,6-bis(4-methylpyrazol-1-yl)pyridine]iron(II) diperchlorate (compound 6)","","- C26 H26 Cl2 Fe N10 O8 -","- C26 H26 Cl2 Fe N10 O8 -","- C52 H52 Cl4 Fe2 N20 O16 -","2","0.25","","Carbonera, Chiara; Sánchez Costa, José; Money, Victoria A.; Elhaïk, Jérôme; Howard, Judith A. K.; Halcrow, Malcolm A.; Létard, Jean-François","Photomagnetic properties of iron(II) spin crossover complexes of 2,6-dipyrazolylpyridine and 2,6-dipyrazolylpyrazine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3058","3066","10.1039/b601366j","","","0.71073","MoKα","","0.1149","0.0708","","","0.1831","0.2192","","","","","","1.041","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007193","9.6","0.0019","9.6251","0.0019","33.47","0.007","90","","90","","90","","3092.7","1.1","30","2","30","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine)iron(ii) diperchlorate (compound 6)","Bis[2,6-bis(4-methylpyrazol-1-yl)pyridine]iron(II) diperchlorate (compound 6)","","- C26 H26 Cl2 Fe N10 O8 -","- C26 H26 Cl2 Fe N10 O8 -","- C104 H104 Cl8 Fe4 N40 O32 -","4","1","","Carbonera, Chiara; Sánchez Costa, José; Money, Victoria A.; Elhaïk, Jérôme; Howard, Judith A. K.; Halcrow, Malcolm A.; Létard, Jean-François","Photomagnetic properties of iron(II) spin crossover complexes of 2,6-dipyrazolylpyridine and 2,6-dipyrazolylpyrazine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3058","3066","10.1039/b601366j","","","0.71073","MoKα","","0.144","0.1297","","","0.3103","0.3182","","","","","","1.125","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007194","30.5415","0.0009","16.5009","0.0006","13.407","0.0005","90","","115.712","0.0015","90","","6087.6","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine)iron(ii) ditetrafluoroborate (compound 7)","Bis[2,6-bis(4-methylpyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate (compound 7)","","- C26 H26.4 B2 F8 Fe N10 O0.2 -","- C26 H26 B2 F8 Fe N10 O0.2 -","- C208 H208 B16 F64 Fe8 N80 O1.6 -","8","1","","Carbonera, Chiara; Sánchez Costa, José; Money, Victoria A.; Elhaïk, Jérôme; Howard, Judith A. K.; Halcrow, Malcolm A.; Létard, Jean-François","Photomagnetic properties of iron(II) spin crossover complexes of 2,6-dipyrazolylpyridine and 2,6-dipyrazolylpyrazine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3058","3066","10.1039/b601366j","","","0.71073","MoKα","","0.1262","0.0541","","","0.1233","0.1529","","","","","","0.988","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007195","18.2103","0.0009","18.9154","0.0009","51.481","0.003","90","","96.415","0.001","90","","17621.9","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C154 H89 B4 Cl8 F96 N11 Re2 -","- C154 H89 B4 Cl8 F96 N11 Re2 -","- C616 H356 B16 Cl32 F384 N44 Re8 -","4","1","","Bera, Jitendra K.; Schelter, Eric J.; Patra, Sanjib K.; Bacsa, John; Dunbar, Kim R.","Syntheses and reactivity studies of solvated dirhenium acetonitrile complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4011","4019","10.1039/b601463a","","","0.71073","MoKα","","0.1547","0.0693","","","0.1547","0.1975","","","","","","0.998","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007196","9.899","0.002","22.286","0.005","10.654","0.002","90","","109.58","0.03","90","","2214.5","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 B2 F8 N6 O0.5 Re -","- C12 H18 B2 F8 N6 O0.5 Re -","- C48 H72 B8 F32 N24 O2 Re4 -","4","1","","Bera, Jitendra K.; Schelter, Eric J.; Patra, Sanjib K.; Bacsa, John; Dunbar, Kim R.","Syntheses and reactivity studies of solvated dirhenium acetonitrile complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4011","4019","10.1039/b601463a","","","0.71073","MoKα","","0.0539","0.0344","","","0.0711","0.0766","","","","","","0.943","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007197","16.082","0.003","22.31","0.005","19.884","0.004","90","","93.58","0.03","90","","7120","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H62 B4 F16 N6 P4 Re2 -","- C62 H62 B4 F16 N6 P4 Re2 -","- C248 H248 B16 F64 N24 P16 Re8 -","4","1","","Bera, Jitendra K.; Schelter, Eric J.; Patra, Sanjib K.; Bacsa, John; Dunbar, Kim R.","Syntheses and reactivity studies of solvated dirhenium acetonitrile complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4011","4019","10.1039/b601463a","","","0.71073","MoKα","","0.1009","0.0586","","","0.1413","0.1538","","","","","","0.974","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007198","12.51","0.003","12.791","0.003","23.341","0.005","84.69","0.03","89.5","0.03","79.08","0.03","3651.4","1.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H68 B4 F16 N8 P4 Re2 -","- C66 H68 B4 F16 N8 P4 Re2 -","- C132 H136 B8 F32 N16 P8 Re4 -","2","1","","Bera, Jitendra K.; Schelter, Eric J.; Patra, Sanjib K.; Bacsa, John; Dunbar, Kim R.","Syntheses and reactivity studies of solvated dirhenium acetonitrile complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4011","4019","10.1039/b601463a","","","0.71073","MoKα","","0.1174","0.0671","","","0.1603","0.1813","","","","","","0.978","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007199","10.682","0.002","11.634","0.002","12.32","0.003","62.42","0.03","73.43","0.03","83.9","0.03","1300.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 B4 F16 N12 Re2 -","- C38 H36 B4 F16 N12 Re2 -","- C38 H36 B4 F16 N12 Re2 -","1","0.5","","Bera, Jitendra K.; Schelter, Eric J.; Patra, Sanjib K.; Bacsa, John; Dunbar, Kim R.","Syntheses and reactivity studies of solvated dirhenium acetonitrile complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4011","4019","10.1039/b601463a","","","0.71073","MoKα","","0.0404","0.0377","","","0.1073","0.1091","","","","","","1.071","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007200","10.514","0.002","11.705","0.002","12.235","0.002","65.4","0.03","73.15","0.03","83.09","0.03","1310.3","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H32 B3 F18 N12 P Re2 S2 -","- C34 H32 B3 F18 N12 P Re2 S2 -","- C34 H32 B3 F18 N12 P Re2 S2 -","1","0.5","","Bera, Jitendra K.; Schelter, Eric J.; Patra, Sanjib K.; Bacsa, John; Dunbar, Kim R.","Syntheses and reactivity studies of solvated dirhenium acetonitrile complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4011","4019","10.1039/b601463a","","","0.71073","MoKα","","0.0337","0.0325","","","0.0833","0.0841","","","","","","1.051","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007201","16.21","0.002","14.42","0.003","14.711","0.004","90","","104.87","0.03","90","","3323.5","1.3","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 N2 O10 Ti2 -","- C34 H38 N2 O10 Ti2 -","- C136 H152 N8 O40 Ti8 -","4","0.5","","Fandos, Rosa; Gallego, Beatriz; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Terreros, Pilar; Pastor, Cesar","A new titanium building block for early-late heterometallic complexes; preparation of a new tetrameric metallomacrocycle by self assembly.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2683","2690","10.1039/b601544a","","","0.71073","MoKα","","0.0521","0.04","","","0.1233","0.1384","","","","","","1.117","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007202","17.1811","0.0005","24.4114","0.0006","11.8199","0.0003","90","","104.955","0.002","90","","4789.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H30 N2 O5 Ti -","- C25 H30 N2 O5 Ti -","- C200 H240 N16 O40 Ti8 -","8","1","","Fandos, Rosa; Gallego, Beatriz; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Terreros, Pilar; Pastor, Cesar","A new titanium building block for early-late heterometallic complexes; preparation of a new tetrameric metallomacrocycle by self assembly.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2683","2690","10.1039/b601544a","","","1.54178","CuKα","","0.0665","0.045","","","0.1076","0.1203","","","","","","1.001","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007203","10.6793","0.0002","19.0548","0.0006","13.1973","0.0004","90","","102.46","0.002","90","","2622.29","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H64 Cl4 N2 O10 Rh2 Ti2 -","- C52 H64 Cl4 N2 O10 Rh2 Ti2 -","- C104 H128 Cl8 N4 O20 Rh4 Ti4 -","2","0.5","","Fandos, Rosa; Gallego, Beatriz; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Terreros, Pilar; Pastor, Cesar","A new titanium building block for early-late heterometallic complexes; preparation of a new tetrameric metallomacrocycle by self assembly.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2683","2690","10.1039/b601544a","","","1.54178","CuKα","","0.0236","0.0219","","","0.0548","0.0558","","","","","","1.059","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007204","16.1719","0.0008","16.1921","0.0009","16.7326","0.0005","103.201","0.006","92.06","0.006","97.692","0.006","4217.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H110 Cl Mn3 N6 O8 -","- C88 H109.01 Cl Mn3 N6 O8 -","- C176 H218.02 Cl2 Mn6 N12 O16 -","2","1","","Mukherjee, Chandan; Weyhermüller, Thomas; Wieghardt, Karl; Chaudhuri, Phalguni","A trinuclear complex containing MnII MnIII MnIV, radicals, quinone and chloride ligands potentially relevant to PS II.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2169","2171","10.1039/b601581f","","","0.71073","MoKα","","0.12","0.0687","","","0.1448","0.1722","","","","","","1.073","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007205","21.323","0.003","8.4702","0.0013","21.334","0.003","90","","114.441","0.002","90","","3507.8","0.9","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Cd(12S4)2)(ClO4)2","","","- C18 H38 Cd Cl2 N2 O12 S8 -","- C18 H38 Cd Cl2 N2 O11.98 S8 -","- C72 H152 Cd4 Cl8 N8 O47.92 S32 -","4","1","","Helm, Monte L.; Hill, Lensey L.; Lee, John P.; Van Derveer, Donald G.; Grant, Gregory J.","Cadmium-113 NMR studies on homoleptic complexes containing thioether ligands: the crystal structures of [Cd([12]aneS4)2](ClO4)2, [Cd([18]aneS4N2)](PF6)2 and [Cd([9]aneS3)2](PF6)2.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3534","3543","10.1039/b601665k","","","0.71073","MoKα","","0.0699","0.0522","","","0.1258","0.1388","","","","","","1.048","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007206","8.18","0.003","10.089","0.003","10.129","0.004","82.599","0.005","66.62","0.005","89.569","0.005","760","0.5","193","2","193","2","","","","","","","","8","P -1","-P 1","2","(Cd(9S3)2)(PF6)2","","","- C14 H30 Cd F12 N2 O4 P2 S6 -","- C14 H30 Cd F12 N2 O4 P2 S6 -","- C14 H30 Cd F12 N2 O4 P2 S6 -","1","0.5","","Helm, Monte L.; Hill, Lensey L.; Lee, John P.; Van Derveer, Donald G.; Grant, Gregory J.","Cadmium-113 NMR studies on homoleptic complexes containing thioether ligands: the crystal structures of [Cd([12]aneS4)2](ClO4)2, [Cd([18]aneS4N2)](PF6)2 and [Cd([9]aneS3)2](PF6)2.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3534","3543","10.1039/b601665k","","","0.71073","MoKα","","0.0444","0.0421","","","0.1136","0.116","","","","","","1.077","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007207","22.635","0.004","10.0366","0.0017","23.85","0.004","90","","111.377","0.003","90","","5045.4","1.5","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","(Cd(18S4N2))(PF6)2","","","- C12.5 H25.5 Cd F12 N2.5 O P2 S4 -","- C12.5 H24 Cd F12 N2.5 O P2 S4 -","- C100 H192 Cd8 F96 N20 O8 P16 S32 -","8","1","","Helm, Monte L.; Hill, Lensey L.; Lee, John P.; Van Derveer, Donald G.; Grant, Gregory J.","Cadmium-113 NMR studies on homoleptic complexes containing thioether ligands: the crystal structures of [Cd([12]aneS4)2](ClO4)2, [Cd([18]aneS4N2)](PF6)2 and [Cd([9]aneS3)2](PF6)2.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3534","3543","10.1039/b601665k","","","0.71073","MoKα","","0.0441","0.0399","","","0.1083","0.1114","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007208","9.7746","0.0008","11.4669","0.001","16.7949","0.0014","71.905","0.006","78.473","0.006","85.51","0.007","1753","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Na4 O3 P2 Se6 -","- C24 H34 Na4 O3 P2 Se6 -","- C48 H68 Na8 O6 P4 Se12 -","2","1","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","Polymeric arrangements of P-Se anions and a first insight into their reactivity.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2979","2983","10.1039/b601704e","","","0.71073","MoKα","","0.0616","0.0386","","","0.0972","0.1026","","","","","","1.051","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007209","15.44","0.006","10.313","0.003","16.676","0.006","90","","116.31","0.04","90","","2380.3","1.7","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 Na2 Ni O6 P2 Se6 -","- C36 H58 Na2 Ni O6 P2 Se6 -","- C72 H116 Na4 Ni2 O12 P4 Se12 -","2","0.5","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","Polymeric arrangements of P-Se anions and a first insight into their reactivity.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2979","2983","10.1039/b601704e","","","0.71073","MoKα","","0.0973","0.0566","","","0.1385","0.1651","","","","","","1.014","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007210","12.6326","0.0007","19.994","0.001","15.429","0.001","90","","93.654","0.005","90","","3889.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 K2 O4 P2 Se6 -","- C28 H42 K2 O4 P2 Se6 -","- C112 H168 K8 O16 P8 Se24 -","4","1","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","Polymeric arrangements of P-Se anions and a first insight into their reactivity.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2979","2983","10.1039/b601704e","","","0.71073","MoKα","","0.0898","0.0519","","","0.1271","0.1743","","","","","","1.006","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007211","14.0598","0.0012","23.1403","0.0015","13.4145","0.001","90","","112.154","0.006","90","","4042.2","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 O4 P2 Rb2 Se6 -","- C28 H42 O4 P2 Rb2 Se6 -","- C112 H168 O16 P8 Rb8 Se24 -","4","0.5","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","Polymeric arrangements of P-Se anions and a first insight into their reactivity.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2979","2983","10.1039/b601704e","","","0.71073","MoKα","","0.0917","0.0497","","","0.1082","0.1209","","","","","","1.015","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007212","11.824","0.0012","15.7441","0.0016","19.7509","0.0019","82.691","0.002","80.073","0.002","83.492","0.002","3576.6","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H69 Cl8 N9 O13 Pt4 S2 -","- C53 H69 Cl8 N9 O13 Pt4 S2 -","- C106 H138 Cl16 N18 O26 Pt8 S4 -","2","1","","Zhao, Yongmei; He, Weijiang; Shi, Pengfei; Zhu, Jianhui; Qiu, Lin; Lin, Liping; Guo, Zijian","A positively charged trinuclear 3N-chelated monofunctional platinum complex with high DNA affinity and potent cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2617","2619","10.1039/b601739h","","","0.71073","MoKα","","0.0828","0.0604","","","0.1166","0.1202","","","","","","1.027","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007213","16.5531","0.0013","15.5601","0.0013","24.4408","0.0019","90","","101.62","0.002","90","","6166.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H17.5 Ag12 F24 N3.5 O19.5 -","- C37.5 H17.5 Ag12 F24 N3.5 O19.5 -","- C150 H70 Ag48 F96 N14 O78 -","4","1","","Zhao, Xiao-Li; Zhang, Lin-Ping; Mak, Thomas C. W.","Polyhedral C2@Agn cages distorted by ancillary pyridine N-oxide ligands in silver-acetylenediide complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3141","3146","10.1039/b601767c","","","0.71073","MoKα","","0.1069","0.0694","","","0.1591","0.1863","","","","","","1.109","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007214","8.4949","0.0006","16.6402","0.0012","23.5116","0.0017","87.465","0.002","82.131","0.002","77.842","0.001","3218","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H24 Ag12 F24 N4 O20 -","- C44 H24 Ag12 F24 N4 O20 -","- C88 H48 Ag24 F48 N8 O40 -","2","1","","Zhao, Xiao-Li; Zhang, Lin-Ping; Mak, Thomas C. W.","Polyhedral C2@Agn cages distorted by ancillary pyridine N-oxide ligands in silver-acetylenediide complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3141","3146","10.1039/b601767c","","","0.71073","MoKα","","0.1141","0.0617","","","0.1201","0.1421","","","","","","1.032","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007215","8.5495","0.0006","14.4966","0.0011","15.5723","0.0011","64.403","0.001","75.63","0.002","86.447","0.001","1683.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 Ag6 F12 N2 O10 -","- C23 H14 Ag6 F12 N2 O10 -","- C46 H28 Ag12 F24 N4 O20 -","2","1","","Zhao, Xiao-Li; Zhang, Lin-Ping; Mak, Thomas C. W.","Polyhedral C2@Agn cages distorted by ancillary pyridine N-oxide ligands in silver-acetylenediide complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3141","3146","10.1039/b601767c","","","0.71073","MoKα","","0.089","0.063","","","0.141","0.1592","","","","","","1.152","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007216","15.3205","0.0018","27.11","0.003","14.4434","0.0018","90","","115.859","0.002","90","","5398.2","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 Ag7 F15 N4 O21 S5 -","- C33 H28 Ag7 F15 N4 O21 S5 -","- C132 H112 Ag28 F60 N16 O84 S20 -","4","1","","Zhao, Xiao-Li; Zhang, Lin-Ping; Mak, Thomas C. W.","Polyhedral C2@Agn cages distorted by ancillary pyridine N-oxide ligands in silver-acetylenediide complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3141","3146","10.1039/b601767c","","","0.71073","MoKα","","0.0535","0.039","","","0.0866","0.0976","","","","","","1.042","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007217","32.69","0.007","32.69","0.007","9.819","0.002","90","","90","","90","","10493","4","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C188 H280 N16 Na8 Si16 -","- C188 H232 N16 Na8 Si16 -","- C376 H464 N32 Na16 Si32 -","2","0.25","","Hitchcock, Peter B.; Lappert, Michael F.; Sablong, Rafaël","Reactions of M[CH(SiMe3)2] (M = Na or K) with PhCN, and related chemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4146","4154","10.1039/b601881e","","","0.71073","MoKα","","0.1984","0.0919","","","0.2091","0.2617","","","","","","1.042","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007218","18.754","0.003","13.053","0.002","18.97","0.004","90","","105.88","0.02","90","","4466.6","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 K2 N2 Si4 -","- C40 H60 K2 N2 Si4 -","- C160 H240 K8 N8 Si16 -","4","1","","Hitchcock, Peter B.; Lappert, Michael F.; Sablong, Rafaël","Reactions of M[CH(SiMe3)2] (M = Na or K) with PhCN, and related chemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4146","4154","10.1039/b601881e","","","0.71073","MoKα","","0.0693","0.0415","","","0.0856","0.0964","","","","","","1.01","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007219","11.439","0.006","12.954","0.006","30.37","0.03","90","","97.85","0.06","90","","4458","5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 N4 Ni Si4 -","- C42 H58 N4 Ni Si4 -","- C168 H232 N16 Ni4 Si16 -","4","1","","Hitchcock, Peter B.; Lappert, Michael F.; Sablong, Rafaël","Reactions of M[CH(SiMe3)2] (M = Na or K) with PhCN, and related chemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4146","4154","10.1039/b601881e","","","0.71073","MoKα","","0.1486","0.0804","","","0.1684","0.2267","","","","","","1.044","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007220","23.557","0.003","14.7301","0.0018","23.169","0.003","90","","105.65","0.002","90","","7741.5","1.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H63 Li N O9 P -","- C34 H55 Li N O8 P -","- C272 H440 Li8 N8 O64 P8 -","8","1","","Izod, Keith; Liddle, Stephen T.; Clegg, William; Harrington, Ross W.","Amino-functionalised diarylphosphide complexes of the alkali metals and lanthanum.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3431","3437","10.1039/B601938B","","","0.71073","MoKα","","0.092","0.0651","","","0.1844","0.1957","","","","","","1.067","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007221","11.8858","0.0005","13.2783","0.0006","18.7371","0.0009","74.358","0.001","86.267","0.001","65.602","0.001","2589.7","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H78 I La N2 O P2 -","- C52 H78 I La N2 O P2 -","- C104 H156 I2 La2 N4 O2 P4 -","2","1","","Izod, Keith; Liddle, Stephen T.; Clegg, William; Harrington, Ross W.","Amino-functionalised diarylphosphide complexes of the alkali metals and lanthanum.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3431","3437","10.1039/B601938B","","","0.6985","synchrotron","","0.036","0.031","","","0.0788","0.0815","","","","","","1.034","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007222","13.5252","0.0003","13.5252","0.0003","53.537","0.002","90","","90","","120","","8481.5","0.4","120","2","120","2","","","","","","","","6","P 61","P 61","169","","","","- C54 H88 La N3 P2 Si2 -","- C54 H88 La N3 P2 Si2 -","- C324 H528 La6 N18 P12 Si12 -","6","1","","Izod, Keith; Liddle, Stephen T.; Clegg, William; Harrington, Ross W.","Amino-functionalised diarylphosphide complexes of the alkali metals and lanthanum.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3431","3437","10.1039/B601938B","","","0.6894","synchrotron","","0.0583","0.0558","","","0.1131","0.1139","","","","","","1.209","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007223","12.982","0.009","13.28","0.012","17.569","0.015","70.94","0.08","79.67","0.06","71.97","0.07","2712","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H124 Eu N20 O29.5 P4 -","- C16 H54 Eu N20 O29.5 P4 -","- C32 H108 Eu2 N40 O59 P8 -","2","1","","Gałezowska, Joanna; Janicki, Rafał; Mondry, Anna; Burgada, Ramon; Bailly, Thèodorine; Lecouvey, Marc; Kozłowski, Henryk","Coordination ability of trans-cyclohexane-1,2-diamine-N,N,N',N'-tetrakis(methylenephosphonic acid) towards lanthanide(III) ions.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4384","4394","10.1039/b601941b","","","0.71073","MoKα","","0.0907","0.0641","","","0.1456","0.1553","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007224","13.026","0.009","13.241","0.009","17.53","0.013","71.05","0.06","79.57","0.06","72","0.07","2709","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H124 N20 O29.5 P4 Tb -","- C16 H54 N20 O29.5 P4 Tb -","- C32 H108 N40 O59 P8 Tb2 -","2","1","","Gałezowska, Joanna; Janicki, Rafał; Mondry, Anna; Burgada, Ramon; Bailly, Thèodorine; Lecouvey, Marc; Kozłowski, Henryk","Coordination ability of trans-cyclohexane-1,2-diamine-N,N,N',N'-tetrakis(methylenephosphonic acid) towards lanthanide(III) ions.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4384","4394","10.1039/b601941b","","","0.71073","MoKα","","0.0908","0.0681","","","0.1639","0.1739","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007225","14.6773","0.0011","8.0559","0.0006","21.5594","0.0017","90","","95.933","0.002","90","","2535.5","0.3","115","2","115","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Cl Fe Ir O P S -","- C28 H29 Cl Fe Ir O P S -","- C112 H116 Cl4 Fe4 Ir4 O4 P4 S4 -","4","1","","Malacea, Raluca; Daran, Jean-Claude; Duckett, Simon B.; Dunne, John P.; Godard, Cyril; Manoury, Eric; Poli, Rinaldo; Whitwood, Adrian C.","Parahydrogen studies of H2 addition to Ir(I) complexes containing chiral phosphine-thioether ligands: implications for catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3350","3359","10.1039/b601980c","","","0.71073","MoKα","","0.0258","0.0224","","","0.054","0.0555","","","","","","1.061","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007226","10.3886","0.0011","10.4105","0.0011","14.792","0.0014","70.514","0.011","79.099","0.012","66.987","0.012","1384.9","0.3","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C30.25 H25 Cl1.5 Fe Ir O P S -","- C30.25 H25 Cl1.5 Fe Ir O P S -","- C60.5 H50 Cl3 Fe2 Ir2 O2 P2 S2 -","2","1","","Malacea, Raluca; Daran, Jean-Claude; Duckett, Simon B.; Dunne, John P.; Godard, Cyril; Manoury, Eric; Poli, Rinaldo; Whitwood, Adrian C.","Parahydrogen studies of H2 addition to Ir(I) complexes containing chiral phosphine-thioether ligands: implications for catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3350","3359","10.1039/b601980c","","","0.71073","MoKα","","0.0501","0.0369","","","0.0824","0.0866","","","","","","0.968","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007227","11.7058","0.0009","11.9666","0.0009","23.9999","0.0018","99.452","0.006","98.297","0.006","93.037","0.006","3271.4","0.4","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H50 N2 O8 Ti -","- C26 H50 N2 O8 Ti -","- C104 H200 N8 O32 Ti4 -","4","2","","Baunemann, Arne; Hellwig, Malte; Varade, Ashish; Bhakta, Raghunandan K.; Winter, Manuela; Shivashankar, S. A.; Fischer, Roland A.; Devi, Anjana","Precursor chemistry for TiO2: titanium complexes with a mixed nitrogen/oxygen ligand sphere.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3485","3490","10.1039/b601995a","","","0.71073","MoKα","","0.0817","0.0415","","","0.0811","0.0915","","","","","","0.86","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007228","13.217","0.002","16.078","0.002","17.156","0.004","83.955","0.015","86.138","0.015","85.097","0.012","3605.9","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H58 N2 O8 Ti -","- C30 H58 N2 O8 Ti -","- C120 H232 N8 O32 Ti4 -","4","2","","Baunemann, Arne; Hellwig, Malte; Varade, Ashish; Bhakta, Raghunandan K.; Winter, Manuela; Shivashankar, S. A.; Fischer, Roland A.; Devi, Anjana","Precursor chemistry for TiO2: titanium complexes with a mixed nitrogen/oxygen ligand sphere.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3485","3490","10.1039/b601995a","","","0.71073","MoKα","","0.0851","0.0427","","","0.0807","0.092","","","","","","0.893","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007229","11.2153","0.0007","14.4404","0.0008","21.0213","0.0012","90","","99.298","0.001","90","","3359.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H53 Cu N12 O10 -","- C24 H53 Cu N12 O10 -","- C96 H212 Cu4 N48 O40 -","4","1","","Farrell, David; Harding, Charles J.; McKee, Vickie; Nelson, Jane","Effect of methylation on the coordination of copper by small azacryptands; the role of geometrically constrained hydrogen bonding in stabilizing terminally coordinated oxygen species.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3204","3211","10.1039/b602003h","","","0.71073","MoKα","","0.0661","0.0581","","","0.138","0.1419","","","","","","1.176","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007230","10.1113","0.0012","10.1113","0.0012","29.655","0.005","90","","90","","120","","2625.7","0.6","150","2","150","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H57 Cl3 Cu N8 O13 -","- C24 H54 Cl3 Cu N8 O13 -","- C72 H162 Cl9 Cu3 N24 O39 -","3","0.166667","","Farrell, David; Harding, Charles J.; McKee, Vickie; Nelson, Jane","Effect of methylation on the coordination of copper by small azacryptands; the role of geometrically constrained hydrogen bonding in stabilizing terminally coordinated oxygen species.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3204","3211","10.1039/b602003h","","","0.71073","MoKα","","0.0407","0.0367","","","0.0957","0.0977","","","","","","1.13","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007231","13.5719","0.0005","32.9185","0.0007","10.407","0.0004","90","","96.14","0.002","90","","4622.8","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H65 B Cl2 N8 O9 Zn -","- C42 H62 B Cl2 N8 O9 Zn -","- C168 H248 B4 Cl8 N32 O36 Zn4 -","4","0.5","","Farrell, David; Harding, Charles J.; McKee, Vickie; Nelson, Jane","Effect of methylation on the coordination of copper by small azacryptands; the role of geometrically constrained hydrogen bonding in stabilizing terminally coordinated oxygen species.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3204","3211","10.1039/b602003h","","","0.6923","Synchrotron","","0.0615","0.0471","","","0.1125","0.1164","","","","","","1.019","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007232","15.6529","0.0009","6.0112","0.0002","22.0709","0.0012","90","","110.086","0.002","90","","1950.4","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Pt{NH=C(Ph)NC(Ph)=NPh}2].2CH2Cl2","","","- C42 H36 Cl4 N6 Pt -","- C42 H36 Cl4 N6 Pt -","- C84 H72 Cl8 N12 Pt2 -","2","0.5","","Sarova, Ginka H.; Bokach, Nadezhda A.; Fedorov, Alexander A.; Berberan-Santos, Mário N; Kukushkin, Vadim Yu; Haukka, Matti; Fraústo da Silva, João J R; Pombeiro, Armando J. L.","A new family of luminescent compounds: platinum(II) imidoylamidinates exhibiting pH-dependent room temperature luminescence.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3798","3805","10.1039/b602083f","","","0.71073","MoKα","","0.0593","0.0352","","","0.0794","0.0888","","","","","","1.122","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007233","10.1713","0.0007","14.0242","0.001","18.5465","0.001","95.531","0.004","90.497","0.004","99.482","0.004","2596.4","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H40 Cl6 F6 N6 O6 Pt S2 -","- C46 H40 Cl6 F6 N6 O6 Pt S2 -","- C92 H80 Cl12 F12 N12 O12 Pt2 S4 -","2","1","","Sarova, Ginka H.; Bokach, Nadezhda A.; Fedorov, Alexander A.; Berberan-Santos, Mário N; Kukushkin, Vadim Yu; Haukka, Matti; Fraústo da Silva, João J R; Pombeiro, Armando J. L.","A new family of luminescent compounds: platinum(II) imidoylamidinates exhibiting pH-dependent room temperature luminescence.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3798","3805","10.1039/b602083f","","","0.71073","MoKα","","0.0859","0.0482","","","0.1161","0.1349","","","","","","1.066","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007234","15.032","0.0012","14.026","0.003","19.843","0.002","90","","107.908","0.008","90","","3981","1","213","2","213","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 B Cl Hg Mo N O3 -","- C16 H23 B Cl Hg Mo N O3 -","- C128 H184 B8 Cl8 Hg8 Mo8 N8 O24 -","8","2","","Auvray, Nicolas; Basu Baul, Tushar S.; Braunstein, Pierre; Croizat, Pierre; Englert, Ulli; Herberich, Gerhard E.; Welter, Richard","Organometallic building blocks with amino-substituted cyclopentadienyl and boratabenzene ligands for the synthesis of heterometallic complexes and clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2950","2958","10.1039/b602106a","","","0.71073","MoKα","","0.1873","0.079","","","0.0791","0.094","","","","","","1.038","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007235","8.53","0.005","17.111","0.005","12.321","0.005","90","","108.3","0.05","90","","1707.4","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Mo2 N4 O6 Pt -","- C30 H38 Mo2 N4 O6 Pt -","- C60 H76 Mo4 N8 O12 Pt2 -","2","0.5","","Auvray, Nicolas; Basu Baul, Tushar S.; Braunstein, Pierre; Croizat, Pierre; Englert, Ulli; Herberich, Gerhard E.; Welter, Richard","Organometallic building blocks with amino-substituted cyclopentadienyl and boratabenzene ligands for the synthesis of heterometallic complexes and clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2950","2958","10.1039/b602106a","","","0.71069","MoKα","","0.0588","0.0332","","","0.0778","0.1098","","","","","","0.926","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007236","8.518","0.005","11.117","0.005","12.785","0.005","94.91","0.05","109.36","0.05","107.2","0.05","1068.2","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 Mo2 N4 O8 Pt -","- C42 H46 Mo2 N4 O8 Pt -","- C42 H46 Mo2 N4 O8 Pt -","1","0.5","","Auvray, Nicolas; Basu Baul, Tushar S.; Braunstein, Pierre; Croizat, Pierre; Englert, Ulli; Herberich, Gerhard E.; Welter, Richard","Organometallic building blocks with amino-substituted cyclopentadienyl and boratabenzene ligands for the synthesis of heterometallic complexes and clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2950","2958","10.1039/b602106a","","","0.71069","MoKα","","0.1475","0.0744","","","0.1426","0.1687","","","","","","0.98","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007237","8.825","0.0003","10.752","0.0003","12.808","0.0004","90","","99.38","0.05","90","","1199.06","0.18","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl Mo N O3 -","- C10 H10 Cl Mo N O3 -","- C40 H40 Cl4 Mo4 N4 O12 -","4","1","","Auvray, Nicolas; Basu Baul, Tushar S.; Braunstein, Pierre; Croizat, Pierre; Englert, Ulli; Herberich, Gerhard E.; Welter, Richard","Organometallic building blocks with amino-substituted cyclopentadienyl and boratabenzene ligands for the synthesis of heterometallic complexes and clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2950","2958","10.1039/b602106a","","","0.71073","MoKα","","0.0666","0.0383","","","0.0765","0.0865","","","","","","1.07","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007238","9.477","0.001","9.637","0.001","10.43","0.001","82.48","0.05","83.48","0.05","73.05","0.05","900.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H15 Cl Mo N2 O3 Pt -","- C17 H15 Cl Mo N2 O3 Pt -","- C34 H30 Cl2 Mo2 N4 O6 Pt2 -","2","1","","Auvray, Nicolas; Basu Baul, Tushar S.; Braunstein, Pierre; Croizat, Pierre; Englert, Ulli; Herberich, Gerhard E.; Welter, Richard","Organometallic building blocks with amino-substituted cyclopentadienyl and boratabenzene ligands for the synthesis of heterometallic complexes and clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2950","2958","10.1039/b602106a","","","0.71073","MoKα","","0.0985","0.0449","","","0.0898","0.1059","","","","","","0.855","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007239","9.3368","0.0006","22.5058","0.0015","16.5079","0.0011","90","","90.954","0.001","90","","3468.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 Mn4 N3 O15 -","- C29 H33 Mn4 N3 O15 -","- C116 H132 Mn16 N12 O60 -","4","1","","Bagai, Rashmi; Abboud, Khalil A.; Christou, George","Ligand-induced distortion of a tetranuclear manganese butterfly complex.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3306","3312","10.1039/b602192a","","","0.71073","MoKα","","0.0709","0.0413","","","0.0828","0.0917","","","","","","1.01","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007240","17.7518","0.0013","17.3654","0.0012","21.4029","0.0015","90","","100.856","0.001","90","","6479.7","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H84 Cl4 Mn4 N2 O16 -","- C52 H84 Cl4 Mn4 N2 O16 -","- C208 H336 Cl16 Mn16 N8 O64 -","4","1","","Bagai, Rashmi; Abboud, Khalil A.; Christou, George","Ligand-induced distortion of a tetranuclear manganese butterfly complex.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3306","3312","10.1039/b602192a","","","0.71073","MoKα","","0.086","0.0473","","","0.122","0.1343","","","","","","0.991","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007241","11.2249","0.0003","16.7282","0.0009","19.6462","0.001","90","","105.93","0.003","90","","3547.3","0.3","123","2","123","2","","","","","","","THF","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Ca N4 O2 -","- C38 H46 Ca N4 O2 -","- C152 H184 Ca4 N16 O8 -","4","1","","Cole, Marcus L.; Deacon, Glen B.; Forsyth, Craig M.; Konstas, Kristina; Junk, Peter C.","Synthesis and structural characterisation of heavy alkaline earth N,N'-bis(aryl)formamidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3360","3367","10.1039/b602210c","","x-ray","0.71073","MoKα","","0.1229","0.051","","","0.1357","0.181","","","","","","0.777","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007242","19.3852","0.0003","11.1831","0.0002","18.1765","0.0004","90","","101.759","0.001","90","","3857.73","0.13","123","2","123","2","","","","","","","THF","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 Ca N4 O2 -","- C42 H54 Ca N4 O2 -","- C168 H216 Ca4 N16 O8 -","4","0.5","","Cole, Marcus L.; Deacon, Glen B.; Forsyth, Craig M.; Konstas, Kristina; Junk, Peter C.","Synthesis and structural characterisation of heavy alkaline earth N,N'-bis(aryl)formamidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3360","3367","10.1039/b602210c","","x-ray","0.71073","MoKα","","0.0995","0.0574","","","0.1331","0.1882","","","","","","1.408","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007243","21.4128","0.0008","9.8514","0.0004","18.793","0.0008","90","","100.313","0.003","90","","3900.3","0.3","123","2","123","2","","","","","","","THF","5","C 1 c 1","C -2yc","9","","","","- C42 H54 N4 O3 Sr -","- C42 H54 N4 O3 Sr -","- C168 H216 N16 O12 Sr4 -","4","1","","Cole, Marcus L.; Deacon, Glen B.; Forsyth, Craig M.; Konstas, Kristina; Junk, Peter C.","Synthesis and structural characterisation of heavy alkaline earth N,N'-bis(aryl)formamidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3360","3367","10.1039/b602210c","","x-ray","0.71073","MoKα","","0.1438","0.0605","","","0.1159","0.1494","","","","","","0.872","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007244","10.9388","0.0003","33.5561","0.001","16.2284","0.0005","90","","109.591","0.002","90","","5612","0.3","123","2","123","2","","","","","","","THF","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H86 N4 O6 Sr -","- C58 H86 N4 O6 Sr -","- C232 H344 N16 O24 Sr4 -","4","1","","Cole, Marcus L.; Deacon, Glen B.; Forsyth, Craig M.; Konstas, Kristina; Junk, Peter C.","Synthesis and structural characterisation of heavy alkaline earth N,N'-bis(aryl)formamidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3360","3367","10.1039/b602210c","","x-ray","0.71073","MoKα","","0.1626","0.0763","","","0.1458","0.1761","","","","","","1.014","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007245","26.6486","0.0004","10.1712","0.0001","21.9266","0.0003","90","","90","","90","","5943.17","0.13","123","2","123","2","","","","","","","THF","5","P c c n","-P 2ab 2ac","56","","","","- C70 H78 N4 O5 Sr -","- C70.008 H78 N4 O5 Sr -","- C280.032 H312 N16 O20 Sr4 -","4","0.5","","Cole, Marcus L.; Deacon, Glen B.; Forsyth, Craig M.; Konstas, Kristina; Junk, Peter C.","Synthesis and structural characterisation of heavy alkaline earth N,N'-bis(aryl)formamidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3360","3367","10.1039/b602210c","","x-ray","0.71073","MoKα","","0.1442","0.0783","","","0.1374","0.1606","","","","","","1.088","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007246","11.0568","0.0014","15.356","0.002","21.298","0.003","95.917","0.002","104.844","0.002","91.941","0.002","3470","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C68.4 H106 K O8.6 Pr S -","- C68.4 H100 K O8.6 Pr S -","- C136.8 H200 K2 O17.2 Pr2 S2 -","2","1","","Natrajan, Louise S.; Blake, Alexander J.; Wilson, Claire; Weinstein, Julia A.; Arnold, Polly L.","Group I cation templated formation of luminescent mono- and bis-substituted thionaphthol heterobimetallic complexes of Pr, Nd, Eu and Tb.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4465","4473","10.1039/b602242a","","","0.71073","MoKα","","0.0749","0.0471","","","0.102","0.116","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007247","10.8595","0.0013","14.3555","0.0018","51.762","0.006","90","","90","","90","","8069.4","1.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H107 K O8.5 Pr S -","- C68 H107 K O8.5 Pr S -","- C272 H428 K4 O34 Pr4 S4 -","4","1","","Natrajan, Louise S.; Blake, Alexander J.; Wilson, Claire; Weinstein, Julia A.; Arnold, Polly L.","Group I cation templated formation of luminescent mono- and bis-substituted thionaphthol heterobimetallic complexes of Pr, Nd, Eu and Tb.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4465","4473","10.1039/b602242a","","","0.71073","MoKα","","0.1271","0.1218","","","0.2935","0.2966","","","","","","1.286","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007248","10.8384","0.0008","15.0949","0.0012","21.577","0.002","94.879","0.001","103.17","0.001","90.743","0.001","3422.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H105 K Nd O8 S -","- C69 H105 K Nd O8 S -","- C138 H210 K2 Nd2 O16 S2 -","2","1","","Natrajan, Louise S.; Blake, Alexander J.; Wilson, Claire; Weinstein, Julia A.; Arnold, Polly L.","Group I cation templated formation of luminescent mono- and bis-substituted thionaphthol heterobimetallic complexes of Pr, Nd, Eu and Tb.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4465","4473","10.1039/b602242a","","","0.71073","MoKα","","0.201","0.0772","","","0.168","0.213","","","","","","0.85","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007249","16.773","0.003","24.082","0.004","25.628","0.004","90","","95.527","0.003","90","","10304","3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C112 H147 Li2 Nd O8 S2 -","- C112 H147 Li2 Nd O8 S2 -","- C448 H588 Li8 Nd4 O32 S8 -","4","1","","Natrajan, Louise S.; Blake, Alexander J.; Wilson, Claire; Weinstein, Julia A.; Arnold, Polly L.","Group I cation templated formation of luminescent mono- and bis-substituted thionaphthol heterobimetallic complexes of Pr, Nd, Eu and Tb.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4465","4473","10.1039/b602242a","","","0.6928","synchrotron","","0.1188","0.0649","","","0.1324","0.1513","","","","","","1.016","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007250","9.972","0.002","13.579","0.002","20.985","0.005","81.267","0.011","81.481","0.019","76.76","0.011","2714.9","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H63 F18 Mn N7 O4.5 P4 Ru -","- C37 H63 F18 Mn N7 O4.5 P4 Ru -","- C74 H126 F36 Mn2 N14 O9 P8 Ru2 -","2","1","","Adams, Christopher J.; Connelly, Neil G.; Goodwin, Nicholas J.; Hayward, Owen D.; Orpen, A. Guy; Wood, Andrew J.","Metal-metal charge transfer and solvatochromism in cyanomanganese carbonyl complexes of ruthenium and osmium.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3584","3596","10.1039/b602334g","","","0.71073","MoKα","","0.1303","0.0656","","","0.1488","0.1793","","","","","","1.008","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007251","11.596","0.008","14.943","0.008","25.237","0.015","104.96","0.02","100.72","0.04","98.59","0.03","4060","4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H89 F18 Mn N6 O6 P7 Ru -","- C67 H89 F18 Mn N6 O6 P7 Ru -","- C134 H178 F36 Mn2 N12 O12 P14 Ru2 -","2","1","","Adams, Christopher J.; Connelly, Neil G.; Goodwin, Nicholas J.; Hayward, Owen D.; Orpen, A. Guy; Wood, Andrew J.","Metal-metal charge transfer and solvatochromism in cyanomanganese carbonyl complexes of ruthenium and osmium.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3584","3596","10.1039/b602334g","","","0.71073","MoKα","","0.1837","0.071","","","0.0997","0.1358","","","","","","0.955","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007252","14.091","0.004","31.216","0.005","16.167","0.004","90","","93.48","0.03","90","","7098","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H76 F18 Mn N6 O9 P6 Ru -","- C46 H76 F18 Mn N6 O9 P6 Ru -","- C184 H304 F72 Mn4 N24 O36 P24 Ru4 -","4","1","","Adams, Christopher J.; Connelly, Neil G.; Goodwin, Nicholas J.; Hayward, Owen D.; Orpen, A. Guy; Wood, Andrew J.","Metal-metal charge transfer and solvatochromism in cyanomanganese carbonyl complexes of ruthenium and osmium.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3584","3596","10.1039/b602334g","","","0.71073","MoKα","","0.2056","0.0883","","","0.1893","0.2327","","","","","","0.867","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007253","8.959","0.004","16.246","0.008","16.345","0.009","70.68","0.04","83.87","0.04","88.83","0.03","2232","2","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cl3 N4 O3 Rh -","- C18 H18 Cl4 N4 O2 Rh -","- C72 H72 Cl16 N16 O8 Rh4 -","4","2","","Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.","Rhodium, palladium and platinum complexes of tris(pyridylalkyl)amine and tris(benzimidazolylmethyl)amine N4-tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3785","3797","10.1039/b602556k","","","0.71073","MoKα","","","0.04","","","","0.054","","","","","","1.88","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007254","13.427","0.007","12.607","0.004","15.476","0.008","90","","101.84","0.02","90","","2564","2","294","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cl2 F6 N5 P Rh -","- C21 H20 Cl2 F6 N5 P Rh -","- C84 H80 Cl8 F24 N20 P4 Rh4 -","4","1","","Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.","Rhodium, palladium and platinum complexes of tris(pyridylalkyl)amine and tris(benzimidazolylmethyl)amine N4-tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3785","3797","10.1039/b602556k","","","0.71073","MoKα","","","0.057","","","","0.067","","","","","","1.62","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007255","10.24","0.004","13.863","0.005","20.939","0.009","90","","101.65","0.02","90","","2911","2","294","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl3 N7 O2 Rh S -","- C26 H29 Cl3 N7 O2 Rh S -","- C104 H116 Cl12 N28 O8 Rh4 S4 -","4","1","","Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.","Rhodium, palladium and platinum complexes of tris(pyridylalkyl)amine and tris(benzimidazolylmethyl)amine N4-tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3785","3797","10.1039/b602556k","","","0.71073","MoKα","","","0.035","","","","0.044","","","","","","1.36","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007256","10.694","0.004","14.354","0.003","22.877","0.009","90","","106.6","0.02","90","","3365","2","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H37.5 Cl3 N7 O1.5 Rh -","- C31.5 H36.5 Cl3 N7.5 O1.5 Rh -","- C126 H146 Cl12 N30 O6 Rh4 -","4","1","","Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.","Rhodium, palladium and platinum complexes of tris(pyridylalkyl)amine and tris(benzimidazolylmethyl)amine N4-tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3785","3797","10.1039/b602556k","","","0.71073","MoKα","","","0.051","","","","0.079","","","","","","1.33","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007257","8.989","0.003","14.037","0.004","12.4","0.004","90","","93.09","0.01","90","","1562.3","0.9","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl3 N3 Rh -","- C14 H16 Cl3 N3 Rh -","- C56 H64 Cl12 N12 Rh4 -","4","1","","Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.","Rhodium, palladium and platinum complexes of tris(pyridylalkyl)amine and tris(benzimidazolylmethyl)amine N4-tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3785","3797","10.1039/b602556k","","","0.71073","MoKα","","","0.023","","","","0.039","","","","","","1.62","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007258","15.007","0.003","7.6373","0.0006","19.041","0.004","90","","111.862","0.007","90","","2025.4","0.6","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 N4 O2 Pd -","- C18 H22 Cl2 N4 O2 Pd -","- C72 H88 Cl8 N16 O8 Pd4 -","4","1","","Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.","Rhodium, palladium and platinum complexes of tris(pyridylalkyl)amine and tris(benzimidazolylmethyl)amine N4-tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3785","3797","10.1039/b602556k","","","0.71073","MoKα","","","0.029","","","","0.047","","","","","","1.81","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007259","7.982","0.004","8.457","0.004","15.152","0.006","75.76","0.02","84.97","0.03","85","0.03","985.3","0.8","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cl2 N4 O Pd -","- C19 H22 Cl2 N4 O Pd -","- C38 H44 Cl4 N8 O2 Pd2 -","2","1","","Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.","Rhodium, palladium and platinum complexes of tris(pyridylalkyl)amine and tris(benzimidazolylmethyl)amine N4-tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3785","3797","10.1039/b602556k","","","0.71073","MoKα","","","0.043","","","","0.056","","","","","","1.55","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007260","8.38","0.006","12.362","0.007","12.357","0.007","66.43","0.05","71.09","0.05","71.31","0.05","1082.8","1.3","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H24 Cl2 N4 O3 Pd -","- C19 H19 Cl2 N4 O3 Pd -","- C38 H38 Cl4 N8 O6 Pd2 -","2","1","","Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.","Rhodium, palladium and platinum complexes of tris(pyridylalkyl)amine and tris(benzimidazolylmethyl)amine N4-tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3785","3797","10.1039/b602556k","","","0.71073","MoKα","","","0.034","","","","0.041","","","","","","1.23","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007261","26.767","0.005","10.707","0.001","30.131","0.005","90","","105.575","0.008","90","","8318","2","294","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cl2 N4 O2 Pt -","- C18 H22 Cl2 N4 O2 Pt -","- C288 H352 Cl32 N64 O32 Pt16 -","16","2","","Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.","Rhodium, palladium and platinum complexes of tris(pyridylalkyl)amine and tris(benzimidazolylmethyl)amine N4-tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3785","3797","10.1039/b602556k","","","0.71073","MoKα","","","0.023","","","","0.028","","","","","","0.93","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007262","13.458","0.006","16.263","0.007","16.263","0.007","71.28","0.04","76.9","0.04","81.75","0.03","3274","3","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H56 Cl4 N14 O5 Pd2 -","- C50 H42 Cl4 N14 O5 Pd2 -","- C100 H84 Cl8 N28 O10 Pd4 -","2","1","","Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.","Rhodium, palladium and platinum complexes of tris(pyridylalkyl)amine and tris(benzimidazolylmethyl)amine N4-tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3785","3797","10.1039/b602556k","","","0.71073","MoKα","","","0.11","","","","0.179","","","","","","3.48","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007263","11.302","0.006","21.388","0.011","6.973","0.004","90","","112.567","0.009","90","","1556.5","1.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Au F6 N4 P -","- C10 H16 Au F6 N4 P -","- C40 H64 Au4 F24 N16 P4 -","4","0.5","","Baker, Murray V.; Barnard, Peter J.; Berners-Price, Susan J; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Cationic, linear Au(I) N-heterocyclic carbene complexes: synthesis, structure and anti-mitochondrial activity.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3708","3715","10.1039/B602560A","","","0.71073","MoKα","","0.083","0.05","","0.077","","0.069","","","0.94","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007264","15.221","0.005","21.319","0.006","10.959","0.003","90","","90","","90","","3556.2","1.8","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C12 H20 Au F6 N4 P -","- C12 H20 Au F6 N4 P -","- C96 H160 Au8 F48 N32 P8 -","8","","","Baker, Murray V.; Barnard, Peter J.; Berners-Price, Susan J; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Cationic, linear Au(I) N-heterocyclic carbene complexes: synthesis, structure and anti-mitochondrial activity.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3708","3715","10.1039/B602560A","","","0.71073","MoKα","","0.133","0.108","","0.187","","0.164","","","1.138","","","1.177","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007265","10.692","0.002","10.855","0.002","10.818","0.002","90","","118.252","0.002","90","","1106","0.4","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Au Cl N4 -","- C18 H32 Au Cl N4 -","- C36 H64 Au2 Cl2 N8 -","2","0.5","","Baker, Murray V.; Barnard, Peter J.; Berners-Price, Susan J; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Cationic, linear Au(I) N-heterocyclic carbene complexes: synthesis, structure and anti-mitochondrial activity.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3708","3715","10.1039/B602560A","","","0.71073","MoKα","","0.026","0.017","","","0.037","0.047","","","","0.96","0.96","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007266","14.007","0.008","14.365","0.008","14.37","0.008","89.345","0.01","84.748","0.01","76.273","0.01","2797","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H40 Au F6 N4 P -","- C22 H40 Au F6 N4 P -","- C88 H160 Au4 F24 N16 P4 -","4","2","","Baker, Murray V.; Barnard, Peter J.; Berners-Price, Susan J; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Cationic, linear Au(I) N-heterocyclic carbene complexes: synthesis, structure and anti-mitochondrial activity.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3708","3715","10.1039/B602560A","","","0.71073","MoKα","","0.149","0.077","","0.14","","0.117","","","1.013","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007267","9.7407","0.0006","22.135","0.001","12.4258","0.0007","90","","92.642","0.001","90","","2676.3","0.3","150","","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Au F6 N4 P -","- C22 H40 Au F6 N4 P -","- C88 H160 Au4 F24 N16 P4 -","4","1","","Baker, Murray V.; Barnard, Peter J.; Berners-Price, Susan J; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Cationic, linear Au(I) N-heterocyclic carbene complexes: synthesis, structure and anti-mitochondrial activity.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3708","3715","10.1039/B602560A","","","0.71073","MoKα","","0.047","0.036","","0.065","","0.061","","","1.075","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007268","14.2018","0.0008","14.2018","0.0008","16.834","0.001","90","","90","","90","","3395.3","0.3","150","2","150","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","","","- C30 H48 Au F6 N4 P -","- C30 H48 Au F6 N4 P -","- C120 H192 Au4 F24 N16 P4 -","4","0.5","","Baker, Murray V.; Barnard, Peter J.; Berners-Price, Susan J; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Cationic, linear Au(I) N-heterocyclic carbene complexes: synthesis, structure and anti-mitochondrial activity.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3708","3715","10.1039/B602560A","","","0.71073","MoKα","","0.063","0.049","","0.09","","0.08","","","1.176","","","1.147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007269","10.1812","0.0005","7.9632","0.0003","15.9154","0.0007","90","","95.796","0.004","90","","1283.74","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl2 Fe2 O2 Pt S2 -","- C24 H28 Cl2 Fe2 O2 Pt S2 -","- C48 H56 Cl4 Fe4 O4 Pt2 S4 -","2","0.5","","Atkinson, Robert C. J.; Gibson, Vernon C.; Long, Nicholas J.; West, Lara J.; White, Andrew J. P.","New S/O-substituted ferrocenediyl ligands and their metal complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3597","3602","10.1039/b602576e","","","0.71073","MoKα","","0.0308","0.03","","","0.0584","0.0589","","","","","","1.195","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007270","10.637","0.001","15.234","0.001","21.083","0.001","99.84","0.001","96.13","0.001","90.94","0.001","3344.8","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C77.5 H83 Cl O5 P2 -","- C77.5 H83 Cl O5 P2 -","- C155 H166 Cl2 O10 P4 -","2","1","","Kuhn, P.; Jeunesse, C.; Matt, D.; Harrowfield, J.; Ricard, L.","Phosphorus-phosphorus coupling in a diphosphine with a ten bond P...P separation.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3454","3457","10.1039/b602605b","","","0.71069","MoKα","","0.0838","0.0562","","","0.1612","0.1777","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007271","9.4436","0.0019","10.29","0.002","11.684","0.002","77.75","0.03","89.93","0.03","68.08","0.03","1025.5","0.4","123","2","123","2","","","","","","","Et2O","4","P -1","-P 1","2","","","","- C48 H54 Li2 O4 -","- C48 H54 Li2 O4 -","- C48 H54 Li2 O4 -","1","0.5","","Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R.","Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3338","3349","10.1039/b602706g","","x-ray","0.71073","MoKα","","0.278","0.078","","","0.177","0.2971","","","","","","0.776","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007272","11.5653","0.0002","13.4617","0.0002","14.4056","0.0003","91.832","0.001","112.269","0.001","92.097","0.001","2071.57","0.07","123","2","123","2","","","","","","","DME","4","P -1","-P 1","2","","","","- C48 H54 Li2 O6 -","- C48 H54 Li2 O6 -","- C96 H108 Li4 O12 -","2","1","","Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R.","Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3338","3349","10.1039/b602706g","","x-ray","0.71073","MoKα","","0.0811","0.0506","","","0.1288","0.149","","","","","","0.932","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007273","11.015","0.003","11.345","0.002","15.006","0.002","90.582","0.008","105.252","0.009","95.986","0.011","1797.9","0.6","123","2","123","2","","","","","","","Et2O","4","P -1","-P 1","2","","","","- C44 H42 Li2 O6 -","- C44 H42 Li2 O6 -","- C88 H84 Li4 O12 -","2","1","","Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R.","Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3338","3349","10.1039/b602706g","","x-ray","0.71073","MoKα","","0.1473","0.0574","","","0.1348","0.1855","","","","","","0.797","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007274","9.6584","0.0013","10.738","0.002","12.246","0.002","97.659","0.009","112.495","0.009","94.353","0.013","1151.7","0.3","123","2","123","2","","","","","","","DME","4","P -1","-P 1","2","","","","- C52 H62 Li2 O10 -","- C52 H62 Li2 O10 -","- C52 H62 Li2 O10 -","1","0.5","","Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R.","Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3338","3349","10.1039/b602706g","","x-ray","0.71073","MoKα","","0.2644","0.0965","","","0.197","0.269","","","","","","1.012","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007275","8.9157","0.0005","25.073","0.002","10.1182","0.0009","90","","111.526","0.004","90","","2104.1","0.3","123","2","123","2","","","","","","","Et2O","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Na2 O4 -","- C48 H54 Na2 O4 -","- C96 H108 Na4 O8 -","2","0.5","","Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R.","Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3338","3349","10.1039/b602706g","","x-ray","0.71073","MoKα","","0.312","0.0928","","","0.1507","0.2245","","","","","","0.939","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007276","9.2892","0.0004","10.1342","0.0005","23.5197","0.0013","81.467","0.002","87.774","0.002","72.651","0.002","2089.96","0.18","123","2","123","2","","","","","","","DME","4","P -1","-P 1","2","","","","- C48 H54 Na2 O6 -","- C48 H54 Na2 O6 -","- C96 H108 Na4 O12 -","2","1","","Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R.","Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3338","3349","10.1039/b602706g","","x-ray","0.71073","MoKα","","0.1154","0.0745","","","0.1905","0.2245","","","","","","0.947","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007277","9.5356","0.0019","10.974","0.002","21.326","0.004","90","","90.24","0.03","90","","2231.6","0.7","123","2","123","2","","","","","","","Et2O and THF","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H58 Na2 O8 -","- C52 H58 Na2 O8 -","- C104 H116 Na4 O16 -","2","0.5","","Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R.","Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3338","3349","10.1039/b602706g","","x-ray","0.71073","MoKα","","0.1406","0.0628","","","0.1249","0.154","","","","","","0.937","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007278","10.4333","0.0002","11.0954","0.0003","20.7892","0.0005","89.254","0.002","80.838","0.002","83.623","0.001","2361.16","0.1","123","2","123","2","","","","","","","DME","4","P -1","-P 1","2","","","","- C52 H62 Na2 O10 -","- C52 H62 Na2 O10 -","- C104 H124 Na4 O20 -","2","1","","Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R.","Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3338","3349","10.1039/b602706g","","x-ray","0.71073","MoKα","","0.0916","0.0622","","","0.1541","0.1779","","","","","","1.031","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007279","20.28","0.0005","15.0904","0.0003","21.4779","0.0006","90","","90","","90","","6573","0.3","123","2","123","2","","","","","","","DME","4","P b c n","-P 2n 2ab","60","","","","- C68 H84 Na4 O12 -","- C68 H84 Na4 O12 -","- C272 H336 Na16 O48 -","4","0.5","","Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R.","Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3338","3349","10.1039/b602706g","","x-ray","0.71073","MoKα","","0.1492","0.0514","","","0.116","0.1557","","","","","","0.849","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007280","6.7898","0.0002","10.4137","0.0003","24.7155","0.0006","90","","90","","90","","1747.56","0.08","123","2","123","2","","","","","","","acetone","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","","Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R.","Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3338","3349","10.1039/b602706g","","x-ray","0.71073","MoKα","","0.0656","0.0405","","","0.076","0.0832","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007281","19.0585","0.0012","20.8529","0.0012","31.3141","0.0018","90","","90","","90","","12445","1.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 Cr O10 -","- C33 H39 Cr O10 -","- C528 H624 Cr16 O160 -","16","4","","Calucci, Lucia; Cloke, F Geoffrey N; Englert, Ulli; Hitchcock, Peter B.; Pampaloni, Guido; Pinzino, Calogero; Puccini, Filippo; Volpe, Manuel","Synthesis of chromium(0) and molybdenum(0) bis (eta(6)-arene) derivatives and their monoelectronic oxidation to [M(eta(6)-arene)(2)](+) cations.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4228","4234","10.1039/b602783k","","","0.71073","MoKα","","0.0957","0.0741","","","0.1413","0.1507","","","","","","1.089","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007282","11.6201","0.0005","12.7552","0.0005","18.5897","0.0007","75.82","0.002","84.673","0.002","76.999","0.002","2600.8","0.18","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C53 H79 Mo O12 -","- C53 H79 Mo O12 -","- C106 H158 Mo2 O24 -","2","1","","Calucci, Lucia; Cloke, F Geoffrey N; Englert, Ulli; Hitchcock, Peter B.; Pampaloni, Guido; Pinzino, Calogero; Puccini, Filippo; Volpe, Manuel","Synthesis of chromium(0) and molybdenum(0) bis (eta(6)-arene) derivatives and their monoelectronic oxidation to [M(eta(6)-arene)(2)](+) cations.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4228","4234","10.1039/b602783k","","x-ray","0.71073","MoKα","","0.094","0.0643","","","0.1591","0.1774","","","","","","1.016","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007283","12.0547","0.0009","15.6785","0.0012","20.1419","0.0016","90","","122.744","0.002","90","","3201.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Mo O10 -","- C33 H39 Mo O10 -","- C132 H156 Mo4 O40 -","4","1","","Calucci, Lucia; Cloke, F Geoffrey N; Englert, Ulli; Hitchcock, Peter B.; Pampaloni, Guido; Pinzino, Calogero; Puccini, Filippo; Volpe, Manuel","Synthesis of chromium(0) and molybdenum(0) bis (eta(6)-arene) derivatives and their monoelectronic oxidation to [M(eta(6)-arene)(2)](+) cations.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4228","4234","10.1039/b602783k","","","0.71073","MoKα","","0.0756","0.0549","","","0.1164","0.1265","","","","","","1.064","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007284","6.2958","0.0006","6.4156","0.0004","13.9122","0.0014","87.513","0.005","77.295","0.004","80.322","0.006","540.36","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Cl6 Fe O12 Ru2 -","- C6 H12 Cl6 Fe O12 Ru2 -","- C6 H12 Cl6 Fe O12 Ru2 -","1","0.5","","Haukka, Matti; Jakonen, Minna; Nivajärvi, Taina; Kallinen, Mirja","The subtle effects of iron-containing metal surfaces on the reductive carbonylation of RuCl3.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3212","3220","10.1039/b602834a","","","0.71073","MoKα","","0.0757","0.0412","","","0.0758","0.0865","","","","","","1.025","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007285","6.2478","0.0005","7.1825","0.0007","14.7889","0.0016","92.023","0.004","97.73","0.004","115.042","0.005","592.65","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H16 Cl6 Fe O14 Ru2 -","- C6 H16 Cl6 Fe O14 Ru2 -","- C6 H16 Cl6 Fe O14 Ru2 -","1","0.5","","Haukka, Matti; Jakonen, Minna; Nivajärvi, Taina; Kallinen, Mirja","The subtle effects of iron-containing metal surfaces on the reductive carbonylation of RuCl3.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3212","3220","10.1039/b602834a","","","0.71073","MoKα","","0.0354","0.0321","","","0.0857","0.0889","","","","","","1.058","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007286","6.2244","0.0001","13.0253","0.0002","15.4469","0.0004","70.985","0.001","85.508","0.001","89.077","0.001","1180.32","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H16 Cl6 Fe O14 Ru2 -","- C6 H16 Cl6 Fe O14 Ru2 -","- C12 H32 Cl12 Fe2 O28 Ru4 -","2","1","","Haukka, Matti; Jakonen, Minna; Nivajärvi, Taina; Kallinen, Mirja","The subtle effects of iron-containing metal surfaces on the reductive carbonylation of RuCl3.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3212","3220","10.1039/b602834a","","","0.71073","MoKα","","0.0273","0.0234","","","0.0605","0.0631","","","","","","1.065","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007287","5.8738","0.0003","7.1006","0.0005","8.404","0.0004","90","","109.623","0.003","90","","330.15","0.03","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl2 Fe H8 O4 -","- Cl2 Fe H8 O4 -","- Cl4 Fe2 H16 O8 -","2","0.5","","Haukka, Matti; Jakonen, Minna; Nivajärvi, Taina; Kallinen, Mirja","The subtle effects of iron-containing metal surfaces on the reductive carbonylation of RuCl3.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3212","3220","10.1039/b602834a","","","0.71073","MoKα","","0.0226","0.0214","","","0.0509","0.0518","","","","","","1.094","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007288","6.2164","0.0003","10.2373","0.0005","11.7124","0.0005","90","","97.922","0.003","90","","738.25","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H2 Cl2 O4 Ru -","- C3 H2 Cl2 O4 Ru -","- C12 H8 Cl8 O16 Ru4 -","4","1","","Haukka, Matti; Jakonen, Minna; Nivajärvi, Taina; Kallinen, Mirja","The subtle effects of iron-containing metal surfaces on the reductive carbonylation of RuCl3.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3212","3220","10.1039/b602834a","","","0.71073","MoKα","","0.0278","0.0219","","","0.0436","0.0456","","","","","","1.041","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007289","9.227","0.0007","10.9769","0.0006","11.0272","0.0008","90","","96.796","0.004","90","","1109.03","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl6 Fe O8 Ru2 -","- C10 H12 Cl6 Fe O8 Ru2 -","- C20 H24 Cl12 Fe2 O16 Ru4 -","2","0.5","","Haukka, Matti; Jakonen, Minna; Nivajärvi, Taina; Kallinen, Mirja","The subtle effects of iron-containing metal surfaces on the reductive carbonylation of RuCl3.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3212","3220","10.1039/b602834a","","","0.71073","MoKα","","0.0507","0.0308","","","0.0619","0.0679","","","","","","1.061","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007290","7.0444","0.0004","15.6274","0.0003","8.5003","0.0007","90","","97.016","0.003","90","","928.75","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Cl6 Fe O8 Ru2 -","- C6 H4 Cl6 Fe O8 Ru2 -","- C12 H8 Cl12 Fe2 O16 Ru4 -","2","0.5","","Haukka, Matti; Jakonen, Minna; Nivajärvi, Taina; Kallinen, Mirja","The subtle effects of iron-containing metal surfaces on the reductive carbonylation of RuCl3.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3212","3220","10.1039/b602834a","","","0.71073","MoKα","","0.0325","0.0253","","","0.0596","0.0626","","","","","","1.104","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007291","6.91","0.0002","11.773","0.0005","12.556","0.0005","103.407","0.002","101.573","0.002","95.605","0.002","962.21","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Cl6 Fe O9 Ru2 -","- C6 H6 Cl6 Fe O9 Ru2 -","- C12 H12 Cl12 Fe2 O18 Ru4 -","2","1","","Haukka, Matti; Jakonen, Minna; Nivajärvi, Taina; Kallinen, Mirja","The subtle effects of iron-containing metal surfaces on the reductive carbonylation of RuCl3.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3212","3220","10.1039/b602834a","","","0.71069","MoKα","","0.0492","0.03","","","0.0616","0.0679","","","","","","1.044","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007292","10.1193","0.0002","6.4008","0.0001","27.7787","0.0008","90","","95.339","0.0009","90","","1791.47","0.07","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Cl6 Fe O8 Ru2 -","- C6 H4 Cl6 Fe O8 Ru2 -","- C24 H16 Cl24 Fe4 O32 Ru8 -","4","1","","Haukka, Matti; Jakonen, Minna; Nivajärvi, Taina; Kallinen, Mirja","The subtle effects of iron-containing metal surfaces on the reductive carbonylation of RuCl3.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3212","3220","10.1039/b602834a","","","0.71073","MoKα","","0.0316","0.0242","","","0.0578","0.0599","","","","","","1.156","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007293","11.7975","0.0005","9.4944","0.0002","15.1011","0.0006","90","","107.635","0.002","90","","1611.99","0.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H12 Cl5 Fe O9 Ru -","- C3 H12 Cl5 Fe O9 Ru -","- C12 H48 Cl20 Fe4 O36 Ru4 -","4","1","","Haukka, Matti; Jakonen, Minna; Nivajärvi, Taina; Kallinen, Mirja","The subtle effects of iron-containing metal surfaces on the reductive carbonylation of RuCl3.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3212","3220","10.1039/b602834a","","","0.71073","MoKα","","0.0309","0.0251","","","0.0567","0.0591","","","","","","1.112","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007294","8.522","0.002","8.627","0.002","16.73","0.004","89.2","0.02","81.03","0.02","60.61","0.02","1055.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Pd(pap)py](ClO4)2","","","- C17 H18 Cl2 N4 O8 Pd -","- C17 H18 Cl2 N4 O8 Pd -","- C34 H36 Cl4 N8 O16 Pd2 -","2","1","","Jaganyi, Deogaratius; Tiba, Felicia; Munro, Orde Q.; Petrović, Biljana; Bugarcić, Zivadin D","Kinetic and mechanistic study on the reactions of [Pt(bpma)(H2O)]2+ and [Pd(bpma)(H2O)]2+ with some nucleophiles. Crystal structure of [Pd(bpma)(py)](ClO4)2.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2943","2949","10.1039/b602950g","","","0.71073","MoKα","","0.0701","0.0541","","","0.1365","0.1475","","","","","","1.082","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007295","12.8662","0.0017","10.7009","0.001","16.9568","0.0019","100.262","0.009","98.029","0.01","119.404","0.009","1929.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H55 N7 Si3 U -","- C34 H55 N7 Si3 U -","- C68 H110 N14 Si6 U2 -","2","1","","Antunes, Maria Augusta; Dias, Marta; Monteiro, Bernardo; Domingos, Angela; Santos, Isabel C.; Marques, Noémia","Synthesis and reactivity of uranium(IV) amide complexes supported by a triamidotriazacyclononane ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3368","3374","10.1039/b603000a","","","0.71073","MoKα","","0.1665","0.0865","","","0.114","0.14","","","","","","1.088","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007296","14.213","0.003","17.6693","0.0017","15.321","0.003","90","","94.273","0.015","90","","3836.9","1.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H49 N7 S Si3 U -","- C35 H49 N7 S Si3 U -","- C140 H196 N28 S4 Si12 U4 -","4","1","","Antunes, Maria Augusta; Dias, Marta; Monteiro, Bernardo; Domingos, Angela; Santos, Isabel C.; Marques, Noémia","Synthesis and reactivity of uranium(IV) amide complexes supported by a triamidotriazacyclononane ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3368","3374","10.1039/b603000a","","","0.71073","MoKα","","0.0915","0.0509","","","0.0995","0.1088","","","","","","0.992","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007297","11.1504","0.0015","11.274","0.003","19.834","0.004","77.114","0.019","83.551","0.013","62.636","0.015","2158.4","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H53 N9 Si3 U -","- C36 H53 N9 Si3 U -","- C72 H106 N18 Si6 U2 -","2","1","","Antunes, Maria Augusta; Dias, Marta; Monteiro, Bernardo; Domingos, Angela; Santos, Isabel C.; Marques, Noémia","Synthesis and reactivity of uranium(IV) amide complexes supported by a triamidotriazacyclononane ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3368","3374","10.1039/b603000a","","","0.71069","MoKα","","0.2408","0.1035","","","0.1809","0.2211","","","","","","0.927","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007298","12.2797","0.0004","17.8483","0.0006","27.1851","0.0008","90","","90","","90","","5958.2","0.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H76 N6 O P Si3 U -","- C62 H76 N6 O P Si3 U -","- C248 H304 N24 O4 P4 Si12 U4 -","4","1","","Antunes, Maria Augusta; Dias, Marta; Monteiro, Bernardo; Domingos, Angela; Santos, Isabel C.; Marques, Noémia","Synthesis and reactivity of uranium(IV) amide complexes supported by a triamidotriazacyclononane ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3368","3374","10.1039/b603000a","","","0.71073","MoKα","","0.0809","0.0481","","","0.0628","0.0681","","","","","","0.892","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007299","9.7361","0.0003","12.2695","0.0004","14.0948","0.0004","87.8084","0.0017","77.3777","0.0017","88.4157","0.0013","1641.51","0.09","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C24 H118 Mn2 N8 O43 P4 -","- C24 H118 Mn2 N8 O43.008 P4 -","- C24 H118 Mn2 N8 O43.008 P4 -","1","0.5","","Svobodová, Ivona; Lubal, Premysl; Plutnar, Jan; Havlícková, Jana; Kotek, Jan; Hermann, Petr; Lukes, Ivan","Thermodynamic, kinetic and solid-state study of divalent metal complexes of 1,4,8,11-tetraazacyclotetradecane (cyclam) bearing two trans (1,8-)methylphosphonic acid pendant arms.","Dalton transactions (Cambridge, England : 2003)","2006","","43","5184","5197","10.1039/b603251f","","","0.71073","MoKα","","0.0755","0.0485","","","0.108","0.1224","","","","","","1.04","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7007300","10.029","0.001","10.416","0.001","14.322","0.001","77.055","0.002","73.698","0.002","71.776","0.002","1348.6","0.2","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C12 H44 N4 O14 P2 Pb -","- C12 H40 N4 O14 P2 Pb -","- C24 H80 N8 O28 P4 Pb2 -","2","1","","Svobodová, Ivona; Lubal, Premysl; Plutnar, Jan; Havlícková, Jana; Kotek, Jan; Hermann, Petr; Lukes, Ivan","Thermodynamic, kinetic and solid-state study of divalent metal complexes of 1,4,8,11-tetraazacyclotetradecane (cyclam) bearing two trans (1,8-)methylphosphonic acid pendant arms.","Dalton transactions (Cambridge, England : 2003)","2006","","43","5184","5197","10.1039/b603251f","","","0.71073","MoKα","","0.0473","0.0453","","","0.1022","0.1033","","","","","","1.159","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007301","9.4638","0.0007","9.5509","0.0006","11.1074","0.0008","89.068","0.004","88.094","0.003","60.882","0.003","876.61","0.11","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C12 H28 N4 O6 P2 Zn -","- C12 H28 N4 O6 P2 Zn -","- C24 H56 N8 O12 P4 Zn2 -","2","1","","Svobodová, Ivona; Lubal, Premysl; Plutnar, Jan; Havlícková, Jana; Kotek, Jan; Hermann, Petr; Lukes, Ivan","Thermodynamic, kinetic and solid-state study of divalent metal complexes of 1,4,8,11-tetraazacyclotetradecane (cyclam) bearing two trans (1,8-)methylphosphonic acid pendant arms.","Dalton transactions (Cambridge, England : 2003)","2006","","43","5184","5197","10.1039/b603251f","","","0.71073","MoKα","","0.0748","0.0527","","","0.1284","0.1424","","","","","","1.039","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007302","10.731","0.003","11.893","0.003","23.132","0.006","93.038","0.004","100.387","0.004","102.307","0.004","2824.2","1.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","01165","","","- C56 H55 Cu2 F12 N8 O2 P2 -","- C56 H44 Cu2 F11.96 N8 O2 P2 -","- C112 H88 Cu4 F23.92 N16 O4 P4 -","2","1","","Jensen, Michael P.; Que, Emily L.; Shan, Xiaopeng; Rybak-Akimova, Elena; Que, Jr, Lawrence","Spectroscopic and kinetic studies of the reaction of [CuI(6-PhTPA)]+ with O2.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3523","3527","10.1039/b603285k","","","0.71073","MoKα","","0.0956","0.0621","","","0.1552","0.1834","","","","","","1.029","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7007303","8.0085","0.0006","11.0745","0.0009","12.4796","0.001","67.725","0.001","84.904","0.001","69.131","0.001","955.66","0.13","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H32 N2 O2 Zn -","- C18 H32 N2 O2 Zn -","- C36 H64 N4 O4 Zn2 -","2","1","","Matthews, Jason S.; Onakoya, Olamide O.; Ouattara, Tantiboro S.; Butcher, Raymond J.","Synthesis and characterization of zinc AP-MOCVD precursors and their utility in the growth of ZnO.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3806","3811","10.1039/b603308c","","","0.71073","MoKα","","0.0372","0.0286","","","0.0693","0.0716","","","","","","0.998","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007304","7.6208","0.0006","14.0222","0.0011","19.2162","0.0015","90","","91.473","0.001","90","","2052.8","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 N2 O4 Zn -","- C18 H32 N2 O4 Zn -","- C72 H128 N8 O16 Zn4 -","4","1","","Matthews, Jason S.; Onakoya, Olamide O.; Ouattara, Tantiboro S.; Butcher, Raymond J.","Synthesis and characterization of zinc AP-MOCVD precursors and their utility in the growth of ZnO.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3806","3811","10.1039/b603308c","","","0.71073","MoKα","","0.0392","0.0276","","","0.066","0.0723","","","","","","1.023","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007305","23.617","0.016","10.096","0.006","14.994","0.012","90","","128.707","0.019","90","","2790","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 Co2 N O9 -","- C10 H11 Co2 N O9 -","- C80 H88 Co16 N8 O72 -","8","1","","Zeng, Ming-Hua; Feng, Xiao-Long; Zhang, Wei-Xiong; Chen, Xiao-Ming","A robust microporous 3D cobalt(II) coordination polymer with new magnetically frustrated 2D lattices: single-crystal transformation and guest modulation of cooperative magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5294","5303","10.1039/b603337g","","","0.71073","MoKα","","0.0779","0.0634","","","0.1723","0.1909","","","","","","1.227","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007306","23.55","0.002","10.0816","0.001","14.9781","0.0015","90","","128.465","0.001","90","","2784.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 Co2 N O9 -","- C10 H11 Co2 N O9 -","- C80 H88 Co16 N8 O72 -","8","1","","Zeng, Ming-Hua; Feng, Xiao-Long; Zhang, Wei-Xiong; Chen, Xiao-Ming","A robust microporous 3D cobalt(II) coordination polymer with new magnetically frustrated 2D lattices: single-crystal transformation and guest modulation of cooperative magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5294","5303","10.1039/b603337g","","","0.71073","MoKα","","0.0536","0.0457","","","0.1086","0.1124","","","","","","1.157","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007307","23.226","0.0017","10.1069","0.0007","14.8903","0.0011","90","","127.808","0.001","90","","2761.6","0.3","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 Co2 N O9 -","- C10 H11 Co2 N O9 -","- C80 H88 Co16 N8 O72 -","8","1","","Zeng, Ming-Hua; Feng, Xiao-Long; Zhang, Wei-Xiong; Chen, Xiao-Ming","A robust microporous 3D cobalt(II) coordination polymer with new magnetically frustrated 2D lattices: single-crystal transformation and guest modulation of cooperative magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5294","5303","10.1039/b603337g","","","0.71073","MoKα","","0.0629","0.0538","","","0.1179","0.1229","","","","","","1.077","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007308","23.46","0.02","10.094","0.009","15.044","0.014","90","","128.249","0.013","90","","2798","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Co2 N O8 -","- C11 H11 Co2 N O8 -","- C88 H88 Co16 N8 O64 -","8","1","","Zeng, Ming-Hua; Feng, Xiao-Long; Zhang, Wei-Xiong; Chen, Xiao-Ming","A robust microporous 3D cobalt(II) coordination polymer with new magnetically frustrated 2D lattices: single-crystal transformation and guest modulation of cooperative magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5294","5303","10.1039/b603337g","","","0.71073","MoKα","","0.0785","0.0523","","","0.1286","0.1438","","","","","","1.029","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007309","23.5214","0.0017","10.0276","0.0007","14.9851","0.0011","90","","128.618","0.001","90","","2761.5","0.3","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Co2 N O8 -","- C11 H11 Co2 N O8 -","- C88 H88 Co16 N8 O64 -","8","1","","Zeng, Ming-Hua; Feng, Xiao-Long; Zhang, Wei-Xiong; Chen, Xiao-Ming","A robust microporous 3D cobalt(II) coordination polymer with new magnetically frustrated 2D lattices: single-crystal transformation and guest modulation of cooperative magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5294","5303","10.1039/b603337g","","","0.71073","MoKα","","0.0662","0.0583","","","0.142","0.1458","","","","","","1.218","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007310","23.583","0.009","10.104","0.004","15.06","0.006","90","","128.54","0.005","90","","2806.9","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Co2 N2 O8 -","- C11 H10 Co2 N2 O8 -","- C88 H80 Co16 N16 O64 -","8","1","","Zeng, Ming-Hua; Feng, Xiao-Long; Zhang, Wei-Xiong; Chen, Xiao-Ming","A robust microporous 3D cobalt(II) coordination polymer with new magnetically frustrated 2D lattices: single-crystal transformation and guest modulation of cooperative magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5294","5303","10.1039/b603337g","","","0.71073","MoKα","","0.0773","0.0569","","","0.1472","0.1644","","","","","","1.062","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007311","23.702","0.003","10.0616","0.0011","15.02","0.0017","90","","129.07","0.002","90","","2781","0.6","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Co2 N2 O8 -","- C11 H10 Co2 N2 O8 -","- C88 H80 Co16 N16 O64 -","8","1","","Zeng, Ming-Hua; Feng, Xiao-Long; Zhang, Wei-Xiong; Chen, Xiao-Ming","A robust microporous 3D cobalt(II) coordination polymer with new magnetically frustrated 2D lattices: single-crystal transformation and guest modulation of cooperative magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5294","5303","10.1039/b603337g","","","0.71073","MoKα","","0.063","0.049","","","0.1174","0.1237","","","","","","1.134","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007312","23.482","0.003","10.0597","0.0012","14.9495","0.0018","90","","128.342","0.002","90","","2769.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H7 Co2 N O7 -","- C10 H7 Co2 N O7 -","- C80 H56 Co16 N8 O56 -","8","1","","Zeng, Ming-Hua; Feng, Xiao-Long; Zhang, Wei-Xiong; Chen, Xiao-Ming","A robust microporous 3D cobalt(II) coordination polymer with new magnetically frustrated 2D lattices: single-crystal transformation and guest modulation of cooperative magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5294","5303","10.1039/b603337g","","","0.71073","MoKα","","0.053","0.0471","","","0.1247","0.1295","","","","","","1.018","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007313","9.652","0.0004","9.729","0.0003","18.435","0.0007","95.045","0.002","94.163","0.002","102.149","0.002","1678.41","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 B N2 S2 -","- C18 H19 B N2 S2 -","- C72 H76 B4 N8 S8 -","4","2","","Weber, Lothar; Werner, Vanessa; Domke, Imme; Stammler, Hans-Georg; Neumann, Beate","1,3,2-Diazaborolyl-functionalized thiophenes and dithiophenes: synthesis, structure, electrochemistry and luminescence.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3777","3784","10.1039/b603365b","","","0.71073","MoKα","","0.0752","0.051","","","0.1199","0.1323","","","","","","1.048","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007314","31.705","0.006","13.512","0.003","24.585","0.005","90","","117.508","0.003","90","","9341","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48.5 H53.25 B Ir N8 O0.38 -","- C48.5 H53.25 B Ir N8 O0.375 -","- C388 H426 B8 Ir8 N64 O3 -","8","1","","Messerle, Barbara A.; Page, Michael J.; Turner, Peter","Rhodium(I) and iridium(I) complexes of pyrazolyl-N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3927","3933","10.1039/b603455a","","","0.71073","MoKα","","0.0735","0.0375","","","0.0823","0.0916","","","","","","1.213","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007315","9.396","0.005","19.599","0.011","18.476","0.011","90","","93.911","0.01","90","","3394","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 B N4 Rh -","- C40 H42 B N4 Rh -","- C160 H168 B4 N16 Rh4 -","4","1","","Messerle, Barbara A.; Page, Michael J.; Turner, Peter","Rhodium(I) and iridium(I) complexes of pyrazolyl-N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3927","3933","10.1039/b603455a","","","0.71073","MoKα","","0.0522","0.0324","","","0.0696","0.0749","","","","","","1.026","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007316","30.071","0.033","10.042","0.012","16.331","0.018","90","","97.39","0.01","90","","4891","10","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H60 Cl6 Co3 N12 -","- C40 H60 Cl6 Co3 N12 -","- C160 H240 Cl24 Co12 N48 -","4","0.5","","Guerra, Krassimira P.; Delgado, Rita; Drew, Michael G. B.; Félix, Vítor","Bis- and tris-(3-aminopropyl) derivatives of 14-membered tetraazamacrocycles containing pyridine: synthesis, protonation and complexation studies.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4124","4133","10.1039/b603484e","","x-ray","0.71073","MoKα","","0.1728","0.08","","","0.21","0.2496","","","","","","0.994","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007317","12.613","0.014","24.302","0.027","13.488","0.015","90","","97.39","0.01","90","","4100","8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H50 Cl4 Cu N7 O17.5 -","- C23 H49 Cl4 Cu N7 O17.5 -","- C92 H196 Cl16 Cu4 N28 O70 -","4","1","","Guerra, Krassimira P.; Delgado, Rita; Drew, Michael G. B.; Félix, Vítor","Bis- and tris-(3-aminopropyl) derivatives of 14-membered tetraazamacrocycles containing pyridine: synthesis, protonation and complexation studies.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4124","4133","10.1039/b603484e","","x-ray","0.71073","MoKα","","0.1804","0.0951","","","0.1826","0.2057","","","","","","0.949","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007318","9.073","0.0001","14.267","0.0002","16.885","0.0002","90","","99.471","0.0006","90","","2155.88","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 Cr2 Mn3 O34 -","- C22 H30 Cr2 Mn3 O34 -","- C44 H60 Cr4 Mn6 O68 -","2","0.5","","Coronado, Eugenio; Galán-Mascarós, José Ramón; Martí-Gastaldo, Carlos; Martínez, Ana Murcia","Heptacoordinated Mn(II) in oxalate-based bimetallic 2D magnets: synthesis and characterisation of [Mn(L)6][Mn(CH3OH)M(III)(ox)3]2 (M(III) = Cr, Rh; ox = oxalate dianion; L = H2O, CH3OH).","Dalton transactions (Cambridge, England : 2003)","2006","","27","3294","3299","10.1039/b603504c","","","0.71073","MoKα","","0.0751","0.0518","","","0.1346","0.1477","","","","","","1.034","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007319","9.514","0.0001","16.072","0.0003","14.948","0.0002","90","","105.356","0.0007","90","","2204.08","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 Mn3 O35.5 Rh2 -","- C20 H18 Mn3 O35.5 Rh2 -","- C40 H36 Mn6 O71 Rh4 -","2","0.5","","Coronado, Eugenio; Galán-Mascarós, José Ramón; Martí-Gastaldo, Carlos; Martínez, Ana Murcia","Heptacoordinated Mn(II) in oxalate-based bimetallic 2D magnets: synthesis and characterisation of [Mn(L)6][Mn(CH3OH)M(III)(ox)3]2 (M(III) = Cr, Rh; ox = oxalate dianion; L = H2O, CH3OH).","Dalton transactions (Cambridge, England : 2003)","2006","","27","3294","3299","10.1039/b603504c","","","0.71073","MoKα","","0.0673","0.0486","","","0.13","0.141","","","","","","1.012","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007320","10.8334","0.0003","33.5765","0.0009","16.8022","0.0005","90","","104.462","0.001","90","","5918.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","dibutoxyphenylacetylide-terpyridine Platinum(ii) complex","","","- C60 H60 F6 N6 O2 P Pt -","- C60 H60 F6 N6 O2 P Pt -","- C240 H240 F24 N24 O8 P4 Pt4 -","4","1","","Ziessel, Raymond; Diring, Stéphane; Retailleau, Pascal","Terpyridine-platinum(II) acetylide complexes bearing pendent coordination units.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3285","3290","10.1039/b603603a","","","0.71073","MoKα","","0.0763","0.047","","","0.1055","0.1166","","","","","","1.105","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007321","13.207","0.0007","13.207","0.0007","12.589","0.0008","90","","90","","90","","2195.8","0.2","100","","100","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C34 H70 Co5 N4 O22 -","- C34 H70 Co5 N4 O22 -","- C68 H140 Co10 N8 O44 -","2","0.25","","Ferguson, Alan; Parkin, Andrew; Murrie, Mark","Synthesis and structural characterisation of polynuclear cobalt complexes with partially-deprotonated Bis-tris.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3627","3628","10.1039/b603622h","","","0.71073","MoKα","","0.0646","0.0475","","0.1134","0.1077","0.1134","","","","","","0.8874","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007322","13.1331","0.0002","12.2948","0.0002","18.929","0.0003","90","","94.059","0.001","90","","3048.78","0.08","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Co4 N4 Na2 O30 -","- C42 H102 Co4 N4 Na2 O30 -","- C84 H204 Co8 N8 Na4 O60 -","2","0.5","","Ferguson, Alan; Parkin, Andrew; Murrie, Mark","Synthesis and structural characterisation of polynuclear cobalt complexes with partially-deprotonated Bis-tris.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3627","3628","10.1039/b603622h","","","0.71073","MoKα","","0.0835","0.0454","","0.1241","0.1173","0.1241","","","","","","0.8519","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007323","15.604","0.004","15.313","0.004","19.461","0.005","90","","112.225","0.008","90","","4304.6","1.9","293","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H16 Cl2 Cr -","- C77.4 H16 Cl2 Cr -","- C309.6 H64 Cl8 Cr4 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Y.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N.","Structural aspects of two-stage dimerization in an ionic C60 complex with bis(benzene)chromium: Cr(C6H6)2.C60.C6H4Cl2.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3716","3720","10.1039/b603685f","","","0.71073","MoKα","","0.0622","0.0456","","","0.1311","0.1439","","","","","","1.037","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007324","15.601","0.0013","14.6619","0.0012","19.7463","0.0016","90.973","0.003","112.455","0.002","86.799","0.003","4167.8","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H16 Cl2 Cr -","- C78 H16 Cl2 Cr -","- C312 H64 Cl8 Cr4 -","4","2","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Y.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N.","Structural aspects of two-stage dimerization in an ionic C60 complex with bis(benzene)chromium: Cr(C6H6)2.C60.C6H4Cl2.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3716","3720","10.1039/b603685f","","","0.71073","MoKα","","0.0943","0.0611","","","0.1534","0.1783","","","","","","1.011","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007325","12.9078","0.001","13.573","0.002","13.602","0.002","90.432","0.006","109.097","0.007","115.196","0.006","2007.4","0.5","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H34 Cl3 N7 -","- C49 H34 Cl3 N7 -","- C98 H68 Cl6 N14 -","2","1","","Hwang, Seok-Ho; Moorefield, Charles N.; Wang, Pingshan; Fronczek, Frank R.; Courtney, Brandy H.; Newkome, George R.","Design, synthesis and photoelectrochemical properties of hexagonal metallomacrocycles based on triphenylamine: [M6(4,4'-bis(2,2':6',2''-terpyridinyl)triphenylamine)6(X)12]; [M = Fe(II), PF6- and Zn(II), BF4-].","Dalton transactions (Cambridge, England : 2003)","2006","","29","3518","3522","10.1039/b603691k","","","0.71073","MoKα","","0.0944","0.0573","","","0.1377","0.1537","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007326","10.799","0.002","13.289","0.003","12.474","0.002","90","","96.68","0.03","90","","1778","0.6","210","2","210","2","","","","","","","Crystals were taken from the mother liquor.","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 Ni S2 -","- C18 H23 N3 Ni S2 -","- C72 H92 N12 Ni4 S8 -","4","1","","Fritz, Thorsten; Steinfeld, Gunther; Käss, Steffen; Kersting, Berthold","Preparation and characterization of mononuclear Co, Ni, and Zn complexes of dinucleating macrocyclic hexaaza-dithiophenolate ligands and their open-chain derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3812","3821","10.1039/b603740b","","","0.71073","MoKα","","0.1291","0.0507","","","0.0885","0.1137","","","","","","0.95","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007327","18.32","0.004","7.583","0.002","15.183","0.003","90","","96.7","0.03","90","","2094.8","0.8","210","2","210","2","","","","","","","Crystals were grown from acetonitrile.","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N3 Ni S2 -","- C21 H29 N3 Ni S2 -","- C84 H116 N12 Ni4 S8 -","4","1","","Fritz, Thorsten; Steinfeld, Gunther; Käss, Steffen; Kersting, Berthold","Preparation and characterization of mononuclear Co, Ni, and Zn complexes of dinucleating macrocyclic hexaaza-dithiophenolate ligands and their open-chain derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3812","3821","10.1039/b603740b","","","0.71073","MoKα","","0.1336","0.0524","","","0.0956","0.127","","","","","","0.972","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007328","18.334","0.004","7.601","0.002","15.163","0.003","90","","96.46","0.03","90","","2099.6","0.8","210","2","210","2","","","","","","","Crystals were grown from acetonitrile.","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Co N3 S2 -","- C21 H29 Co N3 S2 -","- C84 H116 Co4 N12 S8 -","4","1","","Fritz, Thorsten; Steinfeld, Gunther; Käss, Steffen; Kersting, Berthold","Preparation and characterization of mononuclear Co, Ni, and Zn complexes of dinucleating macrocyclic hexaaza-dithiophenolate ligands and their open-chain derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3812","3821","10.1039/b603740b","","","0.71073","MoKα","","0.0963","0.0481","","","0.0885","0.1106","","","","","","0.985","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007329","14.073","0.003","17.07","0.003","19.323","0.004","90","","93.04","0.03","90","","4635.4","1.6","210","2","210","2","","","","","","","Crystals were grown from methanol.","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H70 Cl2 N6 Ni O9 S2 -","- C39 H66 Cl2 N6 Ni O9 S2 -","- C156 H264 Cl8 N24 Ni4 O36 S8 -","4","1","","Fritz, Thorsten; Steinfeld, Gunther; Käss, Steffen; Kersting, Berthold","Preparation and characterization of mononuclear Co, Ni, and Zn complexes of dinucleating macrocyclic hexaaza-dithiophenolate ligands and their open-chain derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3812","3821","10.1039/b603740b","","","0.71073","MoKα","","0.0948","0.0463","","","0.1096","0.1319","","","","","","0.89","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007330","18.177","0.004","17.826","0.004","48.531","0.01","90","","90","","90","","15725","6","210","2","210","2","","","","","","","Crystals were grown by recrystallization from acetonitrile.","6","P b c a","-P 2ac 2ab","61","","","","- C88 H109 B2 N7 Ni S2 -","- C88 H109 B2 N7 Ni S2 -","- C704 H872 B16 N56 Ni8 S16 -","8","1","","Fritz, Thorsten; Steinfeld, Gunther; Käss, Steffen; Kersting, Berthold","Preparation and characterization of mononuclear Co, Ni, and Zn complexes of dinucleating macrocyclic hexaaza-dithiophenolate ligands and their open-chain derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3812","3821","10.1039/b603740b","","","0.71073","MoKα","","0.2973","0.0566","","","0.1272","0.2099","","","","","","0.741","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007331","14.27","0.003","16.937","0.003","19.708","0.004","90","","94.15","0.03","90","","4750.8","1.6","210","2","210","2","","","","","","","Crystals were grown from methanol.","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H70 Cl2 N6 O9 S2 Zn -","- C39 H66 Cl2 N6 O9 S2 Zn -","- C156 H264 Cl8 N24 O36 S8 Zn4 -","4","1","","Fritz, Thorsten; Steinfeld, Gunther; Käss, Steffen; Kersting, Berthold","Preparation and characterization of mononuclear Co, Ni, and Zn complexes of dinucleating macrocyclic hexaaza-dithiophenolate ligands and their open-chain derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3812","3821","10.1039/b603740b","","","0.71073","MoKα","","0.0775","0.0523","","","0.1528","0.1657","","","","","","1.058","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007332","14.095","0.003","15.097","0.003","23.64","0.005","89.52","0.03","75.64","0.03","65.07","0.03","4393","2","210","2","210","2","","","","","","","Crystals were grown from acetonitrile.","6","P -1","-P 1","2","","","","- C98 H130 B2 N6 Ni S2 -","- C98 H130 B2 N6 Ni S2 -","- C196 H260 B4 N12 Ni2 S4 -","2","1","","Fritz, Thorsten; Steinfeld, Gunther; Käss, Steffen; Kersting, Berthold","Preparation and characterization of mononuclear Co, Ni, and Zn complexes of dinucleating macrocyclic hexaaza-dithiophenolate ligands and their open-chain derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3812","3821","10.1039/b603740b","","","0.71073","MoKα","","0.1378","0.0457","","","0.0853","0.1063","","","","","","0.808","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007333","13.42","0.002","16.052","0.003","19.785","0.004","78.256","0.016","86.306","0.015","65.845","0.014","3806.6","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H78 Cu4 O2 P6 S6 -","- C80 H78 Cu4 O2 P6 S6 -","- C160 H156 Cu8 O4 P12 S12 -","2","1","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","Metal thiophosphonates and related compounds: an emerging area of supramolecular coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3257","3262","10.1039/b603764j","","","0.71073","MoKα","","0.0718","0.0488","","","0.1304","0.1445","","","","","","1.015","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007334","11.8442","0.001","13.4796","0.0012","13.6857","0.0012","101.538","0.007","101.47","0.007","109.779","0.006","1928.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H78 Cu4 O2 P6 S6 -","- C80 H78 Cu4 O2 P6 S6 -","- C80 H78 Cu4 O2 P6 S6 -","1","0.5","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","Metal thiophosphonates and related compounds: an emerging area of supramolecular coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3257","3262","10.1039/b603764j","","","0.71073","MoKα","","0.0806","0.0524","","","0.1197","0.1323","","","","","","1.027","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007335","11.4902","0.0004","13.0272","0.0005","15.6664","0.0005","74.107","0.003","71.686","0.003","83.651","0.003","2140.38","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H46 Cu O P3 S3 -","- C47 H46 Cu O P3 S3 -","- C94 H92 Cu2 O2 P6 S6 -","2","1","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","Metal thiophosphonates and related compounds: an emerging area of supramolecular coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3257","3262","10.1039/b603764j","","","0.71073","MoKα","","0.0466","0.0398","","","0.1265","0.1452","","","","","","1.146","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007336","13.0592","0.0011","8.7781","0.0009","16.8189","0.0015","90","","102.117","0.007","90","","1885.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 Na O3 P S2 -","- C15 H24 Na O3 P S2 -","- C60 H96 Na4 O12 P4 S8 -","4","1","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","Metal thiophosphonates and related compounds: an emerging area of supramolecular coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3257","3262","10.1039/b603764j","","","0.71073","MoKα","","0.1252","0.0957","","","0.2834","0.3278","","","","","","1.228","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007337","8.273","0.0017","11.841","0.002","20.614","0.004","90","","98.61","0.03","90","","1996.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 Na O4 P S2 -","- C15 H26 Na O4 P S2 -","- C60 H104 Na4 O16 P4 S8 -","4","1","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","Metal thiophosphonates and related compounds: an emerging area of supramolecular coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3257","3262","10.1039/b603764j","","","0.71073","MoKα","","0.0857","0.0651","","","0.1808","0.2077","","","","","","1.125","","","","has coordinates,has disorder","291143","2024-04-09","08:47:37",""
"7007338","8.264","0.006","11.299","0.0009","11.31","0.0008","96.849","0.006","102.612","0.006","111.286","0.007","937.1","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H24 K O3 P S2 -","- C15 H24 K O3 P S2 -","- C30 H48 K2 O6 P2 S4 -","2","1","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","Metal thiophosphonates and related compounds: an emerging area of supramolecular coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3257","3262","10.1039/b603764j","","","0.71073","MoKα","","0.0468","0.0327","","","0.1029","0.143","","","","","","1.026","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007339","10.6833","0.0009","10.9392","0.0008","17.6407","0.0014","90","","106.174","0.007","90","","1980","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 K O4 P S2 -","- C15 H26 K O4 P S2 -","- C60 H104 K4 O16 P4 S8 -","4","1","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","Metal thiophosphonates and related compounds: an emerging area of supramolecular coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3257","3262","10.1039/b603764j","","","0.71073","MoKα","","0.0597","0.0488","","","0.1402","0.1637","","","","","","1.146","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007340","11.3883","0.0009","11.8699","0.0009","12.2242","0.0009","74.356","0.006","65.181","0.005","77.253","0.006","1433.3","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H64 Cd2 O8 P4 S8 -","- C44 H64 Cd2 O8 P4 S8 -","- C44 H64 Cd2 O8 P4 S8 -","1","0.5","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","Metal thiophosphonates and related compounds: an emerging area of supramolecular coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3257","3262","10.1039/b603764j","","","0.71073","MoKα","","0.0405","0.0313","","","0.0732","0.0763","","","","","","1.012","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007341","26.4622","0.0016","26.4622","0.0016","11.2432","0.0006","90","","90","","90","","7873","0.8","110","2","110","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C15 H24 K O2 P S3 -","- C15 H24 K O2 P S3 -","- C240 H384 K16 O32 P16 S48 -","16","1","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","Metal thiophosphonates and related compounds: an emerging area of supramolecular coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3257","3262","10.1039/b603764j","","","0.71073","MoKα","","0.1233","0.0917","","","0.2527","0.2778","","","","","","1.057","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7007342","18.157","0.001","11.38","0.001","8.664","0.001","90","","109.32","0.01","90","","1689.4","0.3","198","2","198","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H48 O12 Zr -","- C30 H48 O12 Zr -","- C60 H96 O24 Zr2 -","2","0.5","","Meyer zu Berstenhorst, Birgit; Erker, Gerhard; Kehr, Gerald; Fröhlich, Roland","Carbohydrate-metallocene conjugates: selective formation of a zirconadioxacyclopentane-type dimer from the reaction of a bis(enolate)ZrCp2 reagent with a glucofuranoside derivative.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3200","3203","10.1039/b603803d","","","0.71073","MoKα","","0.0391","0.0357","","","0.0622","0.0639","","","","","","1.05","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007343","9.213","0.001","19.258","0.001","30.126","0.001","90","","90","","90","","5345.1","0.7","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C59 H68 O12 Zr2 -","- C59 H68 O12 Zr2 -","- C236 H272 O48 Zr8 -","4","1","","Meyer zu Berstenhorst, Birgit; Erker, Gerhard; Kehr, Gerald; Fröhlich, Roland","Carbohydrate-metallocene conjugates: selective formation of a zirconadioxacyclopentane-type dimer from the reaction of a bis(enolate)ZrCp2 reagent with a glucofuranoside derivative.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3200","3203","10.1039/b603803d","","","0.71073","MoKα","","0.0695","0.0477","","","0.0767","0.0831","","","","","","1.036","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007344","10.127","0.002","16.167","0.002","20.818","0.004","86.82","0.05","83.22","0.05","78.4","0.05","3313.7","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C76.5 H75 Cl O8 P2 -","- C76.5 H75 Cl O8 P2 -","- C153 H150 Cl2 O16 P4 -","2","1","","Kuhn, Pierre; Sémeril, David; Jeunesse, Catherine; Matt, Dominique; Lutz, Pierre J.; Louis, Rémy; Neuburger, Markus","Catalytic applications of keto-stabilised phosphorus ylides based on a macrocyclic scaffold: calixarenes with one or two pendant Ni(P,O)-subunits as ethylene oligomerisation and polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3647","3659","10.1039/b603861a","","","0.71069","MoKα","","0.2185","0.0927","","","0.1949","0.2343","","","","","","0.95","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007345","18.498","0.002","28.088","0.002","18.725","0.002","90","","98.181","0.003","90","","9630","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H108 Ni2 O6 P4 -","- C116 H108 Ni2 O6 P4 -","- C464 H432 Ni8 O24 P16 -","4","1","","Kuhn, Pierre; Sémeril, David; Jeunesse, Catherine; Matt, Dominique; Lutz, Pierre J.; Louis, Rémy; Neuburger, Markus","Catalytic applications of keto-stabilised phosphorus ylides based on a macrocyclic scaffold: calixarenes with one or two pendant Ni(P,O)-subunits as ethylene oligomerisation and polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3647","3659","10.1039/b603861a","","","0.71073","MoKα","","0.1394","0.0839","","","0.2162","0.2572","","","","","","0.943","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007346","17.548","0.007","19.597","0.006","18.816","0.008","90","","104.88","0.03","90","","6254","4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H74 Ni O6 P2 -","- C74 H74 Ni O6 P2 -","- C296 H296 Ni4 O24 P8 -","4","1","","Kuhn, Pierre; Sémeril, David; Jeunesse, Catherine; Matt, Dominique; Lutz, Pierre J.; Louis, Rémy; Neuburger, Markus","Catalytic applications of keto-stabilised phosphorus ylides based on a macrocyclic scaffold: calixarenes with one or two pendant Ni(P,O)-subunits as ethylene oligomerisation and polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3647","3659","10.1039/b603861a","","","0.71073","MoKα","","0.1236","0.0678","","0.0547","0.0482","0.0482","","","","","","1.1964","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007347","15.582","0.005","8.095","0.003","12.481","0.004","90","","117.362","0.004","90","","1398.2","0.8","208","2","208","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C80 H48 N8 -","4","0.5","","Greco, Nicholas J.; Hysell, Michelle; Goldenberg, Joseph R.; Rheingold, Arnold L.; Tor, Yitzhak","Alkyne-containing chelating ligands: synthesis, properties and metal coordination of 1,2-di(quinolin-8-yl)ethyne.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2288","2290","10.1039/b603983a","","","0.71073","MoKα","","0.0551","0.0449","","","0.1236","0.1321","","","","","","1.071","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007348","6.8416","0.0017","23.779","0.006","12.724","0.004","90","","105.29","0.004","90","","1996.8","0.9","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Ag Cl N3 O4 -","- C22 H15 Ag Cl N3 O4 -","- C88 H60 Ag4 Cl4 N12 O16 -","4","1","","Greco, Nicholas J.; Hysell, Michelle; Goldenberg, Joseph R.; Rheingold, Arnold L.; Tor, Yitzhak","Alkyne-containing chelating ligands: synthesis, properties and metal coordination of 1,2-di(quinolin-8-yl)ethyne.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2288","2290","10.1039/b603983a","","","0.71073","MoKα","","0.0725","0.0606","","","0.1441","0.1492","","","","","","1.186","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007349","12.012","0.001","8.605","0.001","13.538","0.001","90","","98.29","0.01","90","","1384.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 La O9 P2 -","- C9 H15 La O9 P2 -","- C36 H60 La4 O36 P8 -","4","1","","Gan, Xin-Min; Binyamin, Iris; Pailloux, Sylvie; Duesler, Eileen N.; Paine, Robert T.","Formation of a layered framework structure based upon 4-methyl-2,6-bis(methylphosphonic acid) phenol.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3912","3917","10.1039/b603987a","","","0.71073","MoKα","","0.0206","0.0194","","","0.0527","0.0531","","","","","","1.107","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007350","13.492","0.006","14.686","0.005","15.88","0.006","102.163","0.007","113.679","0.006","103.799","0.008","2627","1.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H43 Cl4 Hg2 N9 -","- C42 H27 Cl4 Hg2 N9 -","- C84 H54 Cl8 Hg4 N18 -","2","1","","De La Durantaye, Louise; McCormick, Theresa; Liu, Xiang-Yang; Wang, Suning","Interaction of 2-(2'-pyridyl)benzimidazolyl derivative ligands with group 12 metal ions: coordination, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5675","5682","10.1039/b604047k","","","0.71073","MoKα","","0.1474","0.0671","","","0.1096","0.1151","","","","","","0.779","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007351","27.83","0.05","9.917","0.016","13.27","0.02","90","","90","","90","","3662","10","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C36 H28 Cl2 N6 O9 Zn -","- C36 H28 Cl2 N6 O9 Zn -","- C144 H112 Cl8 N24 O36 Zn4 -","4","0.5","","De La Durantaye, Louise; McCormick, Theresa; Liu, Xiang-Yang; Wang, Suning","Interaction of 2-(2'-pyridyl)benzimidazolyl derivative ligands with group 12 metal ions: coordination, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5675","5682","10.1039/b604047k","","","0.71073","MoKα","","0.2979","0.1321","","","0.334","0.4184","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007352","7.8826","0.0002","8.5076","0.0003","18.9876","0.0007","101.159","0.0012","90.3479","0.0013","109.821","0.0016","1171.71","0.07","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C25 H27 Co N2 O3 -","- C25 H27 Co N2 O3 -","- C50 H54 Co2 N4 O6 -","2","1","","Llewellyn, Simon A.; Green, Malcolm L. H.; Cowley, Andrew R.","Cobalt N-heterocyclic carbene alkyl and acyl compounds: synthesis, molecular structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4164","4168","10.1039/B604200G","","","0.71073","MoKα","","0.0644","0.0377","","0.0585","0.0439","0.0439","","","","","","1.0869","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007353","8.6117","0.0002","33.0497","0.0005","9.2569","0.0002","90","","112.051","0.0006","90","","2441.92","0.09","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Co N2 O4 -","- C26 H27 Co N2 O4 -","- C104 H108 Co4 N8 O16 -","4","1","","Llewellyn, Simon A.; Green, Malcolm L. H.; Cowley, Andrew R.","Cobalt N-heterocyclic carbene alkyl and acyl compounds: synthesis, molecular structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4164","4168","10.1039/B604200G","","","0.71073","MoKα","","0.0652","0.0344","","0.0584","0.0383","0.0383","","","","","","1.1048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007354","14.019","0.002","14.019","0.002","25.38","0.005","90","","90","","120","","4319.7","1.2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 H30 O24 S6 Sc2 -","- C6 H30 O24 S6 Sc2 -","- C36 H180 O144 S36 Sc12 -","6","0.333333","","Lindqvist-Reis, Patric; Persson, Ingmar; Sandström, Magnus","The hydration of the scandium(III) ion in aqueous solution and crystalline hydrates studied by XAFS spectroscopy, large-angle X-ray scattering and crystallography.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3868","3878","10.1039/b604267h","","","0.71073","MoKα","","0.062","0.0385","","","0.0866","0.1031","","","","","","1.187","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007355","5.7777","0.0004","12.9809","0.0008","15.0483","0.0006","90","","90","","90","","1128.62","0.11","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(5-(SMe2)-nido-B10H12)","","","- C2 H18 B10 S -","- C2 H18 B10 S -","- C8 H72 B40 S4 -","4","1","","Bould, Jonathan; Dörfler, Udo; Rath, Nigam P.; Barton, Lawrence; Kilner, Colin A.; Londesborough, Michael G. S.; Ormsby, Daniel L.; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. A synthetic approach via the auto-fusion of [6,9-(SMe2)2-arachno-B10H12].","Dalton transactions (Cambridge, England : 2003)","2006","","31","3752","3765","10.1039/b604295c","","","1.54184","CuKα","","0.0306","0.0298","","","0.0765","0.0773","","","","","","1.048","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007356","7.0367","0.0001","32.4271","0.0004","10.5289","0.0001","90","","96.089","0.001","90","","2388.93","0.05","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(6,9-(SMe2)2-arachno-B10H11-1-(6'-nido-B10H13))","","","- C4 H36 B20 S2 -","- C4 H36 B20 S2 -","- C16 H144 B80 S8 -","4","1","","Bould, Jonathan; Dörfler, Udo; Rath, Nigam P.; Barton, Lawrence; Kilner, Colin A.; Londesborough, Michael G. S.; Ormsby, Daniel L.; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. A synthetic approach via the auto-fusion of [6,9-(SMe2)2-arachno-B10H12].","Dalton transactions (Cambridge, England : 2003)","2006","","31","3752","3765","10.1039/b604295c","","","0.71073","MoKα","","0.1258","0.0738","","","0.1147","0.1327","","","","","","1.101","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007357","11.3252","0.0003","14.045","0.0004","20.8013","0.0007","90","","90","","90","","3308.71","0.17","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","[1,6'-(nido-B10H13)2]","","","- B20 H26 -","- B20 H26 -","- B160 H208 -","8","1","","Bould, Jonathan; Dörfler, Udo; Rath, Nigam P.; Barton, Lawrence; Kilner, Colin A.; Londesborough, Michael G. S.; Ormsby, Daniel L.; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. A synthetic approach via the auto-fusion of [6,9-(SMe2)2-arachno-B10H12].","Dalton transactions (Cambridge, England : 2003)","2006","","31","3752","3765","10.1039/b604295c","","","0.71073","MoKα","","0.0808","0.0528","","","0.1155","0.1289","","","","","","1.066","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007358","6.9622","0.0002","26.4999","0.0006","10.6444","0.0003","90","","96.654","0.001","90","","1950.64","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[5-(SMe2)-4-(2'-nido-B10H13)-nido-B10H11]","","","- C2 H30 B20 S -","- C2 H30 B20 S -","- C8 H120 B80 S4 -","4","1","","Bould, Jonathan; Dörfler, Udo; Rath, Nigam P.; Barton, Lawrence; Kilner, Colin A.; Londesborough, Michael G. S.; Ormsby, Daniel L.; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. A synthetic approach via the auto-fusion of [6,9-(SMe2)2-arachno-B10H12].","Dalton transactions (Cambridge, England : 2003)","2006","","31","3752","3765","10.1039/b604295c","","","0.71073","MoKα","","0.0569","0.0455","","","0.1135","0.122","","","","","","1.049","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007359","5.875","0.001","12.077","0.002","15.905","0.002","108.13","0.01","94.07","0.01","92.25","0.01","1067.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 Fe2 Se2 -","- C23 H24 Fe2 Se2 -","- C46 H48 Fe4 Se4 -","2","1","","Jing, Su; Morley, Christopher P.; Webster, Christopher A.; Di Vaira, Massimo","Synthesis and characterization of Pd and Pt complexes of 1,3-bis(ferrocenylchalcogeno)propanes: crystal structures of FcSe(CH2)3SeFc and [M{FcE(CH2)3E'Fc}2](PF6)2 (M = Pd, Pt; E, E' = Se, Te; Fc = [Fe(eta5-C5H5)(eta5-C5H4)]).","Dalton transactions (Cambridge, England : 2003)","2006","","36","4335","4342","10.1039/b604302j","","","0.71069","MoKα","","0.0877","0.0541","","","0.1231","0.1371","","","","","","0.87","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007360","10.883","0.001","11.538","0.001","11.752","0.002","78.69","0.01","72.75","0.01","86.44","0.01","1381.9","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H27 F6 Fe2 N P Pt0.5 Se2 -","- C25 H27 F6 Fe2 N P Pt0.5 Se2 -","- C50 H54 F12 Fe4 N2 P2 Pt Se4 -","2","1","","Jing, Su; Morley, Christopher P.; Webster, Christopher A.; Di Vaira, Massimo","Synthesis and characterization of Pd and Pt complexes of 1,3-bis(ferrocenylchalcogeno)propanes: crystal structures of FcSe(CH2)3SeFc and [M{FcE(CH2)3E'Fc}2](PF6)2 (M = Pd, Pt; E, E' = Se, Te; Fc = [Fe(eta5-C5H5)(eta5-C5H4)]).","Dalton transactions (Cambridge, England : 2003)","2006","","36","4335","4342","10.1039/b604302j","","","0.71069","MoKα","","0.0739","0.0501","","","0.0922","0.0969","","","","","","0.778","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007361","10.897","0.001","11.541","0.001","11.751","0.001","78.95","0.01","72.88","0.01","86.51","0.01","1386.2","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H27 F6 Fe2 N P Pd0.5 Se2 -","- C25 H27 F6 Fe2 N P Pd0.5 Se2 -","- C50 H54 F12 Fe4 N2 P2 Pd Se4 -","2","1","","Jing, Su; Morley, Christopher P.; Webster, Christopher A.; Di Vaira, Massimo","Synthesis and characterization of Pd and Pt complexes of 1,3-bis(ferrocenylchalcogeno)propanes: crystal structures of FcSe(CH2)3SeFc and [M{FcE(CH2)3E'Fc}2](PF6)2 (M = Pd, Pt; E, E' = Se, Te; Fc = [Fe(eta5-C5H5)(eta5-C5H4)]).","Dalton transactions (Cambridge, England : 2003)","2006","","36","4335","4342","10.1039/b604302j","","","0.71069","MoKα","","0.0424","0.0311","","","0.0705","0.0732","","","","","","0.887","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007362","10.834","0.004","11.472","0.004","11.907","0.004","79.7","0.03","82.04","0.03","84.55","0.03","1438.3","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H27 F6 Fe2 N P Pd0.5 Te2 -","- C25 H27 F6 Fe2 N P Pd0.5 Te2 -","- C50 H54 F12 Fe4 N2 P2 Pd Te4 -","2","1","","Jing, Su; Morley, Christopher P.; Webster, Christopher A.; Di Vaira, Massimo","Synthesis and characterization of Pd and Pt complexes of 1,3-bis(ferrocenylchalcogeno)propanes: crystal structures of FcSe(CH2)3SeFc and [M{FcE(CH2)3E'Fc}2](PF6)2 (M = Pd, Pt; E, E' = Se, Te; Fc = [Fe(eta5-C5H5)(eta5-C5H4)]).","Dalton transactions (Cambridge, England : 2003)","2006","","36","4335","4342","10.1039/b604302j","","","0.71069","MoKα","","0.1198","0.0661","","","0.1523","0.1687","","","","","","0.716","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007363","10.923","0.003","11.701","0.004","11.86","0.004","79.33","0.03","73.42","0.03","86.88","0.03","1427.7","0.8","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C25 H27 F6 Fe2 N P Pd0.5 Se Te -","- C25 H27 F6 Fe2 N P Pd0.5 Se0.995 Te0.995 -","- C50 H54 F12 Fe4 N2 P2 Pd Se1.99 Te1.99 -","2","1","","Jing, Su; Morley, Christopher P.; Webster, Christopher A.; Di Vaira, Massimo","Synthesis and characterization of Pd and Pt complexes of 1,3-bis(ferrocenylchalcogeno)propanes: crystal structures of FcSe(CH2)3SeFc and [M{FcE(CH2)3E'Fc}2](PF6)2 (M = Pd, Pt; E, E' = Se, Te; Fc = [Fe(eta5-C5H5)(eta5-C5H4)]).","Dalton transactions (Cambridge, England : 2003)","2006","","36","4335","4342","10.1039/b604302j","","","0.71069","MoKα","","0.0934","0.0558","","","0.1323","0.1384","","","","","","0.736","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007364","10.792","0.001","11.49","0.001","11.865","0.001","79.74","0.01","82.18","0.01","84.5","0.01","1430.4","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H27 F6 Fe2 N P Pt0.5 Te2 -","- C25 H27 F6 Fe2 N P Pt0.5 Te2 -","- C50 H54 F12 Fe4 N2 P2 Pt Te4 -","2","1","","Jing, Su; Morley, Christopher P.; Webster, Christopher A.; Di Vaira, Massimo","Synthesis and characterization of Pd and Pt complexes of 1,3-bis(ferrocenylchalcogeno)propanes: crystal structures of FcSe(CH2)3SeFc and [M{FcE(CH2)3E'Fc}2](PF6)2 (M = Pd, Pt; E, E' = Se, Te; Fc = [Fe(eta5-C5H5)(eta5-C5H4)]).","Dalton transactions (Cambridge, England : 2003)","2006","","36","4335","4342","10.1039/b604302j","","","0.71069","MoKα","","0.0607","0.0423","","","0.0942","0.1004","","","","","","0.91","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007365","10.923","0.001","11.698","0.001","11.791","0.001","79.26","0.01","73.24","0.01","86.67","0.01","1417.3","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C25 H27 F6 Fe2 N P Pt0.5 Se Te -","- C25 H27 F6 Fe2 N P Pt0.5 Se0.999 Te0.999 -","- C50 H54 F12 Fe4 N2 P2 Pt Se1.998 Te1.998 -","2","1","","Jing, Su; Morley, Christopher P.; Webster, Christopher A.; Di Vaira, Massimo","Synthesis and characterization of Pd and Pt complexes of 1,3-bis(ferrocenylchalcogeno)propanes: crystal structures of FcSe(CH2)3SeFc and [M{FcE(CH2)3E'Fc}2](PF6)2 (M = Pd, Pt; E, E' = Se, Te; Fc = [Fe(eta5-C5H5)(eta5-C5H4)]).","Dalton transactions (Cambridge, England : 2003)","2006","","36","4335","4342","10.1039/b604302j","","","0.71069","MoKα","","0.0763","0.05","","","0.1227","0.135","","","","","","0.863","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007366","7.0246","0.0007","8.1058","0.0007","8.3198","0.0008","76.768","0.002","68.567","0.002","64.856","0.001","397.66","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 N2 Ni O4 S4 -","- C14 H10 N2 Ni O4 S4 -","- C14 H10 N2 Ni O4 S4 -","1","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.688","Synchrotron","","0.0361","0.0332","","","0.0855","0.0872","","","","","","1.053","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007367","8.8334","0.0015","11.33","0.002","11.0454","0.0019","90","","96.037","0.003","90","","1099.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 Ni O10 S4 -","- C16 H16 N2 Ni O10 S4 -","- C32 H32 N4 Ni2 O20 S8 -","2","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.0338","0.0258","","","0.0685","0.0715","","","","","","1.149","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007368","7.5505","0.001","7.9751","0.001","9.9141","0.0013","92.959","0.002","104.109","0.002","103.856","0.002","558.28","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 N2 Ni O8 S4 -","- C16 H24 N2 Ni O8 S4 -","- C16 H24 N2 Ni O8 S4 -","1","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.0292","0.0263","","","0.075","0.0766","","","","","","1.254","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007369","13.0682","0.0008","17.8121","0.001","11.5482","0.0007","90","","110.414","0.001","90","","2519.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 N2 Ni O8 S4 -","- C18 H28 N2 Ni O8 S4 -","- C72 H112 N8 Ni4 O32 S16 -","4","1","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.063","0.0326","","","0.0687","0.0762","","","","","","0.958","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007370","7.0457","0.001","7.5275","0.001","10.1365","0.0014","75.683","0.002","70.904","0.002","85.902","0.002","492.22","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 N2 Ni O8 S4 -","- C16 H12 N2 Ni O8 S4 -","- C16 H12 N2 Ni O8 S4 -","1","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.0341","0.0274","","","0.0692","0.0713","","","","","","1.092","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007371","7.189","0.0009","8.1431","0.0011","8.4188","0.0011","84.248","0.002","67.789","0.002","63.871","0.002","408.34","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 N2 O4 Pt S4 -","- C14 H10 N2 O4 Pt S4 -","- C14 H10 N2 O4 Pt S4 -","1","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.024","0.0239","","","0.0544","0.0544","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007372","7.7014","0.0012","8.4515","0.0014","8.682","0.0014","72.757","0.003","67.078","0.002","77.891","0.003","494.22","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 N2 O8 Pt S4 -","- C16 H12 N2 O8 Pt S4 -","- C16 H12 N2 O8 Pt S4 -","1","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.0479","0.0391","","","0.0713","0.0746","","","","","","0.969","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007373","17.464","0.003","10.8917","0.0016","13.571","0.002","90","","128.397","0.002","90","","2023.1","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O8 Pt S4 -","- C16 H12 N2 O8 Pt S4 -","- C64 H48 N8 O32 Pt4 S16 -","4","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.1185","0.0564","","","0.1252","0.1481","","","","","","0.953","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007374","4.0075","0.0005","16.375","0.002","16.191","0.002","90","","90.063","0.011","90","","1062.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 Ni O8 S4 -","- C18 H16 N2 Ni O8 S4 -","- C36 H32 N4 Ni2 O16 S8 -","2","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","Synchrotron","","0.0502","0.0455","","","0.1037","0.1063","","","","","","1.034","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007375","17.096","0.003","10.3947","0.0015","13.305","0.002","90","","112.76","0.002","90","","2180.3","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 Ni O8 S4 -","- C18 H16 N2 Ni O8 S4 -","- C72 H64 N8 Ni4 O32 S16 -","4","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.0466","0.0308","","","0.0762","0.0838","","","","","","1.08","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007376","5.4904","0.0011","8.0895","0.0016","11.822","0.002","106.8","0.03","99.07","0.03","92.32","0.03","494.31","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 N4 Ni O6 S4 -","- C16 H14 N4 Ni O6 S4 -","- C16 H14 N4 Ni O6 S4 -","1","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.0401","0.0328","","","0.0714","0.0742","","","","","","1.049","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007377","7.3167","0.0008","8.6127","0.0009","9.6402","0.0011","63.69","0.002","70.051","0.002","82.668","0.002","511.69","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 N4 Ni O6 S4 -","- C16 H14 N4 Ni O6 S4 -","- C16 H14 N4 Ni O6 S4 -","1","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.0375","0.0284","","","0.071","0.0744","","","","","","1.088","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007378","17.656","0.002","10.0009","0.0014","13.363","0.0018","90","","118.784","0.002","90","","2068","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N4 Ni O6 S4 -","- C16 H14 N4 Ni O6 S4 -","- C64 H56 N16 Ni4 O24 S16 -","4","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.0335","0.0261","","","0.0695","0.0722","","","","","","1.187","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007379","7.6921","0.0004","7.7277","0.0004","8.6131","0.0004","100.562","0.003","99.931","0.003","103.836","0.003","475.99","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 N2 Ni O4 S4 -","- C14 H22 N2 Ni O4 S4 -","- C14 H22 N2 Ni O4 S4 -","1","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","1.54178","CuKα","","0.0354","0.032","","","0.0874","0.0899","","","","","","1.045","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007380","7.8728","0.0009","8.7532","0.001","9.2079","0.001","79.481","0.002","77.962","0.002","65.701","0.002","562.26","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 N2 O8 Pt S4 -","- C16 H24 N2 O8 Pt S4 -","- C16 H24 N2 O8 Pt S4 -","1","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.018","0.018","","","0.046","0.046","","","","","","1.041","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007381","23.276","0.004","9.1837","0.0016","11.898","0.002","90","","117.028","0.003","90","","2265.5","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cu0.5 N O4 S2 -","- C8 H12 Cu0.5 N O4 S2 -","- C64 H96 Cu4 N8 O32 S16 -","8","1","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.1143","0.0448","","","0.0839","0.1034","","","","","","0.906","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007382","6.1262","0.0009","8.4035","0.0013","12.7833","0.0019","104.596","0.002","95.445","0.002","106.733","0.002","599.86","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 N2 Ni O10 S4 -","- C16 H28 N2 Ni O10 S4 -","- C16 H28 N2 Ni O10 S4 -","1","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.0478","0.0321","","","0.0726","0.0777","","","","","","1.08","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007383","6.2542","0.0011","8.4075","0.0015","12.758","0.002","104.227","0.003","95.401","0.003","107.964","0.003","607.97","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 N2 O10 Pt S4 -","- C16 H28 N2 O10 Pt S4 -","- C16 H28 N2 O10 Pt S4 -","1","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.0331","0.0299","","","0.065","0.0823","","","","","","1.077","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007384","6.1177","0.0008","8.487","0.002","12.776","0.003","104.937","0.018","95.186","0.014","106.614","0.014","604.4","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Cu N2 O10 S4 -","- C16 H28 Cu N2 O10 S4 -","- C16 H28 Cu N2 O10 S4 -","1","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.0358","0.0262","","","0.0655","0.0704","","","","","","1.028","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007385","8.1196","0.0012","12.1225","0.0018","13.528","0.002","90","","94.684","0.003","90","","1327.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 N2 Ni O8 S4 -","- C18 H32 N2 Ni O10 S4 -","- C36 H64 N4 Ni2 O20 S8 -","2","0.5","","Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J.","Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4078","4092","10.1039/b604319d","","","0.71073","MoKα","","0.0653","0.0369","","","0.0761","0.0844","","","","","","0.965","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007386","11.4","0.0002","14.377","0.0003","15.114","0.0003","83.968","0.001","80.358","0.001","80.128","0.001","2398.55","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H120 F10 P4 Pt2 -","- C108 H120 F10 P4 Pt2 -","- C108 H120 F10 P4 Pt2 -","1","0.5","","de Quadras, Laura; Hampel, Frank; Gladysz, J. A.","Wire-like PtC[triple bond]CC[triple bond]CC[triple bond]CC[triple bond]CPt moieties surrounded by double-helical ""insulation"": new motifs featuring P(CH2)20P and P(CH2)4O(CH2)2O(CH2)4P linkages.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2929","2933","10.1039/b604465b","","","0.71073","MoKα","","0.0395","0.0303","","","0.0712","0.0748","","","","","","1.019","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007387","39.9137","0.0006","11.1431","0.0002","22.6389","0.0004","90","","102.57","0.03","90","","9827.6","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H120 F10 P4 Pt2 -","- C108 H94 F10 P4 Pt2 -","- C432 H376 F40 P16 Pt8 -","4","1","","de Quadras, Laura; Hampel, Frank; Gladysz, J. A.","Wire-like PtC[triple bond]CC[triple bond]CC[triple bond]CC[triple bond]CPt moieties surrounded by double-helical ""insulation"": new motifs featuring P(CH2)20P and P(CH2)4O(CH2)2O(CH2)4P linkages.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2929","2933","10.1039/b604465b","","","0.71073","MoKα","","0.0771","0.0421","","","0.099","0.1123","","","","","","0.991","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007388","21.4114","0.0003","17.9695","0.0003","24.2342","0.0003","90","","101.855","0.001","90","","9125.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H100 F10 O5 P4 Pt2 -","- C97 H100 F10 O5 P4 Pt2 -","- C388 H400 F40 O20 P16 Pt8 -","4","1","","de Quadras, Laura; Hampel, Frank; Gladysz, J. A.","Wire-like PtC[triple bond]CC[triple bond]CC[triple bond]CC[triple bond]CPt moieties surrounded by double-helical ""insulation"": new motifs featuring P(CH2)20P and P(CH2)4O(CH2)2O(CH2)4P linkages.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2929","2933","10.1039/b604465b","","","0.71073","MoKα","","0.0886","0.0421","","","0.0848","0.0979","","","","","","0.966","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007389","6.7838","0.0001","11.2938","0.0003","17.8651","0.0004","90","","97.105","0.002","90","","1358.22","0.05","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-bis(dichlorophosphano)ferrocene","","- C10 H8 Cl4 Fe P2 -","- C10 H8 Cl4 Fe P2 -","- C40 H32 Cl16 Fe4 P8 -","4","1","","Moser, Carmen; Orthaber, Andreas; Nieger, Martin; Belaj, Ferdinand; Pietschnig, Rudolf","The homologous series of 1,1'-ferrocenylenebisdihalophosphanes (C5H4PX2)2Fe (X = F, Cl, Br, I): precursors for the first metallocene bridged bisphosphaalkene.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3879","3885","10.1039/b604501d","","","0.71073","MoKα","","0.0297","0.0249","","","0.0604","0.0612","","","","","","1.005","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007390","13.647","0.004","8.992","0.002","13.668","0.003","90","","119.01","0.018","90","","1466.8","0.7","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","1,1'-bis(dibromophosphano)ferrocene","1,1'-bis(dibromophosphano)ferrocene","","- C10 H8 Br4 Fe P2 -","- C10 H8 Br4 Fe P2 -","- C40 H32 Br16 Fe4 P8 -","4","1","","Moser, Carmen; Orthaber, Andreas; Nieger, Martin; Belaj, Ferdinand; Pietschnig, Rudolf","The homologous series of 1,1'-ferrocenylenebisdihalophosphanes (C5H4PX2)2Fe (X = F, Cl, Br, I): precursors for the first metallocene bridged bisphosphaalkene.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3879","3885","10.1039/b604501d","","","0.71069","MoKα","","0.0505","0.0473","","","0.1177","0.1204","","","","","","1.03","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007391","15.977","0.003","16.6924","0.0011","15.8375","0.0017","90","","90","","90","","4223.8","1","173","2","173","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C27 H54 F12 N6 Ni2 O3 P2 -","- C27 H54 F12 N6 Ni2 O3 P2 -","- C108 H216 F48 N24 Ni8 O12 P8 -","4","0.5","","Lozano, A. Abel; Sáez, Magalí; Pérez, José; García, Luís; Lezama, Luís; Rojo, Teófilo; López, Gregorio; García, Gabriel; Santana, Ma Dolores","Structure and magnetic properties of carbonate-bridged five-coordinate nickel(II) complexes controlled by solvent effect.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3906","3911","10.1039/b604541c","","","0.71073","MoKα","","0.0652","0.0558","","","0.1653","0.1722","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007392","11.0176","0.0007","30.997","0.002","12.4487","0.0008","90","","93.409","0.001","90","","4243.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H60 F12 N8 Ni2 O3 P2 -","- C31 H60 F12 N8 Ni2 O3 P2 -","- C124 H240 F48 N32 Ni8 O12 P8 -","4","1","","Lozano, A. Abel; Sáez, Magalí; Pérez, José; García, Luís; Lezama, Luís; Rojo, Teófilo; López, Gregorio; García, Gabriel; Santana, Ma Dolores","Structure and magnetic properties of carbonate-bridged five-coordinate nickel(II) complexes controlled by solvent effect.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3906","3911","10.1039/b604541c","","","0.71073","MoKα","","0.0626","0.047","","","0.1147","0.1231","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007393","10.0088","0.0008","11.3527","0.0009","11.9496","0.0009","69.39","0.002","81.425","0.002","84.084","0.002","1254.81","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(MnL(H2O)(dmso))2(dmso)2","[MnL(H2O)(dmso)]2[dmso]2","","- C32 H52 Mn2 N4 O14 S10 -","- C32 H52 Mn2 N4 O14 S10 -","- C32 H52 Mn2 N4 O14 S10 -","1","0.5","","Zhang, Xiaofeng; Chen, Hui; Ma, Chengbing; Chen, Changneng; Liu, Qiutian","Syntheses and structural characterizations of 24-membered dimetal (Mn, Ni, Fe) macrocyclic complexes and the C-S bond formation between acetylacetone and a mercapto N-heterocycle.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4047","4055","10.1039/b604579k","","","0.71073","MoKα","","0.1556","0.1064","","","0.1893","0.2181","","","","","","1.245","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007394","10.5249","0.0014","11.7042","0.0015","12.168","0.0015","98.875","0.002","105.571","0.002","107.445","0.002","1331.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(NiL(H2O)(dmf))2(dmf)2","[NiL(H2O)(dmf)]2(dmf)2","","- C36 H56 N8 Ni2 O14 S6 -","- C36 H56 N8 Ni2 O14 S6 -","- C36 H56 N8 Ni2 O14 S6 -","1","0.5","","Zhang, Xiaofeng; Chen, Hui; Ma, Chengbing; Chen, Changneng; Liu, Qiutian","Syntheses and structural characterizations of 24-membered dimetal (Mn, Ni, Fe) macrocyclic complexes and the C-S bond formation between acetylacetone and a mercapto N-heterocycle.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4047","4055","10.1039/b604579k","","","0.71073","MoKα","","0.1534","0.0809","","","0.1467","0.1801","","","","","","1.115","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007395","11.0902","0.0008","11.2049","0.0007","11.925","0.0008","111.575","0.001","107.82","0.001","96.066","0.001","1271.45","0.15","273","2","273","2","","","","","","","","6","P -1","-P 1","2","(MnL(dmf)2)2","[MnL(dmf)2]2","","- C36 H52 Mn2 N8 O12 S6 -","- C36 H52 Mn2 N8 O12 S6 -","- C36 H52 Mn2 N8 O12 S6 -","1","0.5","","Zhang, Xiaofeng; Chen, Hui; Ma, Chengbing; Chen, Changneng; Liu, Qiutian","Syntheses and structural characterizations of 24-membered dimetal (Mn, Ni, Fe) macrocyclic complexes and the C-S bond formation between acetylacetone and a mercapto N-heterocycle.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4047","4055","10.1039/b604579k","","","0.71073","MoKα","","0.0863","0.0771","","","0.1406","0.1468","","","","","","1.326","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007396","10.8989","0.0001","11.0697","0.0003","11.7666","0.0003","107.71","0.001","109.114","0.001","99.806","0.001","1218.97","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(MnL(dmf)(dmso))2","[MnL(dmf)(dmso)]2","","- C34 H50 Mn2 N6 O12 S8 -","- C34 H50 Mn2 N6 O12 S8 -","- C34 H50 Mn2 N6 O12 S8 -","1","0.5","","Zhang, Xiaofeng; Chen, Hui; Ma, Chengbing; Chen, Changneng; Liu, Qiutian","Syntheses and structural characterizations of 24-membered dimetal (Mn, Ni, Fe) macrocyclic complexes and the C-S bond formation between acetylacetone and a mercapto N-heterocycle.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4047","4055","10.1039/b604579k","","","0.71073","MoKα","","0.104","0.0751","","","0.1441","0.1625","","","","","","1.184","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007397","18.5969","0.0007","22.4917","0.0007","10.3271","0.0004","90","","90","","90","","4319.6","0.3","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","(MnL(H2O)2)2(H2O)6","[MnL(H2O)2]2(H2O)6","","- C24 H44 Mn2 N4 O18 S6 -","- C24 H32 Mn2 N4 O18 S6 -","- C96 H128 Mn8 N16 O72 S24 -","4","0.25","","Zhang, Xiaofeng; Chen, Hui; Ma, Chengbing; Chen, Changneng; Liu, Qiutian","Syntheses and structural characterizations of 24-membered dimetal (Mn, Ni, Fe) macrocyclic complexes and the C-S bond formation between acetylacetone and a mercapto N-heterocycle.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4047","4055","10.1039/b604579k","","","0.71073","MoKα","","0.0812","0.0515","","","0.1342","0.1559","","","","","","1.104","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007398","11.4902","0.0008","15.0401","0.0009","15.0968","0.0009","90","","102.81","0.002","90","","2544","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Fe2L2(dmf)2(SO4))(CH2Cl2)2","[Fe2L2(dmf)2(SO4)](CH2Cl2)2","","- C32 H42 Cl4 Fe2 N6 O14 S7 -","- C32 H42 Cl4 Fe2 N6 O14 S7 -","- C64 H84 Cl8 Fe4 N12 O28 S14 -","2","0.5","","Zhang, Xiaofeng; Chen, Hui; Ma, Chengbing; Chen, Changneng; Liu, Qiutian","Syntheses and structural characterizations of 24-membered dimetal (Mn, Ni, Fe) macrocyclic complexes and the C-S bond formation between acetylacetone and a mercapto N-heterocycle.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4047","4055","10.1039/b604579k","","","0.71073","MoKα","","0.1725","0.0948","","","0.2475","0.3269","","","","","","1.024","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7007399","12.9134","0.0002","8.7061","0.0003","13.7625","0.0005","90","","95.259","0.002","90","","1540.74","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O4 S3 -","- C12 H14 N2 O4 S3 -","- C48 H56 N8 O16 S12 -","4","1","","Zhang, Xiaofeng; Chen, Hui; Ma, Chengbing; Chen, Changneng; Liu, Qiutian","Syntheses and structural characterizations of 24-membered dimetal (Mn, Ni, Fe) macrocyclic complexes and the C-S bond formation between acetylacetone and a mercapto N-heterocycle.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4047","4055","10.1039/b604579k","","","0.71073","MoKα","","0.0712","0.0556","","","0.1085","0.1202","","","","","","1.225","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7007400","13.34","0.003","16.734","0.003","15.496","0.003","90","","93.39","0.03","90","","3453.1","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 Ga N2 V -","- C38 H50 Ga N2 V -","- C152 H200 Ga4 N8 V4 -","4","1","","Aldridge, Simon; Baker, Robert J.; Coombs, Natalie D.; Jones, Cameron; Rose, Richard P.; Rossin, Andrea; Willock, David J.","Complexes of a gallium heterocycle with transition metal dicyclopentadienyl and cyclopentadienylcarbonyl fragments, and with a dialkylmanganese compound.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3313","3320","10.1039/b604640a","","","0.71073","MoKα","","0.0997","0.0588","","","0.1184","0.136","","","","","","1.019","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007401","13.338","0.003","16.529","0.003","15.433","0.003","90","","91.67","0.03","90","","3401","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 Cr Ga N2 -","- C38 H50 Cr Ga N2 -","- C152 H200 Cr4 Ga4 N8 -","4","1","","Aldridge, Simon; Baker, Robert J.; Coombs, Natalie D.; Jones, Cameron; Rose, Richard P.; Rossin, Andrea; Willock, David J.","Complexes of a gallium heterocycle with transition metal dicyclopentadienyl and cyclopentadienylcarbonyl fragments, and with a dialkylmanganese compound.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3313","3320","10.1039/b604640a","","","0.71073","MoKα","","0.1363","0.0696","","","0.1369","0.1627","","","","","","1.025","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007402","12.697","0.003","14.656","0.003","17.878","0.004","108.31","0.03","96.9","0.03","92.94","0.03","3121.5","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H104 Ga K Mn N4 Si4 -","- C46 H90 Ga K Mn N4 Si4 -","- C92 H180 Ga2 K2 Mn2 N8 Si8 -","2","1","","Aldridge, Simon; Baker, Robert J.; Coombs, Natalie D.; Jones, Cameron; Rose, Richard P.; Rossin, Andrea; Willock, David J.","Complexes of a gallium heterocycle with transition metal dicyclopentadienyl and cyclopentadienylcarbonyl fragments, and with a dialkylmanganese compound.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3313","3320","10.1039/b604640a","","","0.71073","MoKα","","0.0818","0.0709","","","0.1914","0.198","","","","","","1.055","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007403","11.86","0.002","14.192","0.003","23.631","0.005","90","","96.05","0.03","90","","3955.3","1.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H57 Co Ga K N4 O -","- C38 H57 Co Ga K N4 O -","- C152 H228 Co4 Ga4 K4 N16 O4 -","4","1","","Aldridge, Simon; Baker, Robert J.; Coombs, Natalie D.; Jones, Cameron; Rose, Richard P.; Rossin, Andrea; Willock, David J.","Complexes of a gallium heterocycle with transition metal dicyclopentadienyl and cyclopentadienylcarbonyl fragments, and with a dialkylmanganese compound.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3313","3320","10.1039/b604640a","","","0.71073","MoKα","","0.089","0.0509","","","0.0946","0.1066","","","","","","1.013","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007404","22.944","0.005","12.436","0.003","27.243","0.005","90","","98.47","0.03","90","","7689","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H112 Ga2 K N6 O V -","- C74 H108 Ga2 K N6 O V -","- C296 H432 Ga8 K4 N24 O4 V4 -","4","0.5","","Aldridge, Simon; Baker, Robert J.; Coombs, Natalie D.; Jones, Cameron; Rose, Richard P.; Rossin, Andrea; Willock, David J.","Complexes of a gallium heterocycle with transition metal dicyclopentadienyl and cyclopentadienylcarbonyl fragments, and with a dialkylmanganese compound.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3313","3320","10.1039/b604640a","","","0.71073","MoKα","","0.0907","0.0736","","","0.1903","0.1981","","","","","","1.141","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007405","31.855","0.006","10.205","0.002","25.904","0.005","90","","90","","90","","8421","3","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H57 Ga K N4 O3 V -","- C40 H57 Ga K N4 O3 V -","- C320 H456 Ga8 K8 N32 O24 V8 -","8","2","","Aldridge, Simon; Baker, Robert J.; Coombs, Natalie D.; Jones, Cameron; Rose, Richard P.; Rossin, Andrea; Willock, David J.","Complexes of a gallium heterocycle with transition metal dicyclopentadienyl and cyclopentadienylcarbonyl fragments, and with a dialkylmanganese compound.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3313","3320","10.1039/b604640a","","","0.71073","MoKα","","0.0889","0.0607","","","0.114","0.1252","","","","","","1.032","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007406","37.98","0.005","37.98","0.005","13.689","0.003","90","","90","","90","","19746","6","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C40 H59 Ga K Mn N4 O2 -","- C40 H59 Ga K Mn N4 O2 -","- C640 H944 Ga16 K16 Mn16 N64 O32 -","16","1","","Aldridge, Simon; Baker, Robert J.; Coombs, Natalie D.; Jones, Cameron; Rose, Richard P.; Rossin, Andrea; Willock, David J.","Complexes of a gallium heterocycle with transition metal dicyclopentadienyl and cyclopentadienylcarbonyl fragments, and with a dialkylmanganese compound.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3313","3320","10.1039/b604640a","","","0.71073","MoKα","","0.113","0.0709","","","0.1606","0.1758","","","","","","1.102","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007407","11.8531","0.0002","18.9402","0.0004","17.8786","0.0005","90","","101.044","0.001","90","","3939.41","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 Cl3 N3 O4 U -","- C43 H38 Cl3 N3 O4 U -","- C172 H152 Cl12 N12 O16 U4 -","4","1","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of uranium(IV) complexes with calix[n]arenes (n = 4, 6 and 8): mononuclear, polynuclear and 1D polymeric species.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3629","3637","10.1039/b604712b","","","0.71073","MoKα","","0.0349","0.0284","","","0.0843","0.0872","","","","","","1.13","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007408","26.0764","0.0008","12.8301","0.0004","24.7114","0.0007","90","","118.024","0.002","90","","7298.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C77 H69 Cl6 N7 O6 U2 -","- C77 H69 Cl6 N7 O6 U2 -","- C308 H276 Cl24 N28 O24 U8 -","4","0.5","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of uranium(IV) complexes with calix[n]arenes (n = 4, 6 and 8): mononuclear, polynuclear and 1D polymeric species.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3629","3637","10.1039/b604712b","","","0.71073","MoKα","","0.0382","0.0284","","","0.0727","0.0766","","","","","","1.131","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007409","14.6847","0.0005","21.1309","0.0007","20.9186","0.0004","90","","106.721","0.002","90","","6216.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H58 Cl5 N5 O6 U2 -","- C67 H58 Cl5 N5 O6 U2 -","- C268 H232 Cl20 N20 O24 U8 -","4","1","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of uranium(IV) complexes with calix[n]arenes (n = 4, 6 and 8): mononuclear, polynuclear and 1D polymeric species.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3629","3637","10.1039/b604712b","","","0.71073","MoKα","","0.0425","0.0296","","","0.0769","0.0804","","","","","","1.062","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007410","21.4083","0.0015","27.4775","0.0013","18.5799","0.0014","90","","107.243","0.004","90","","10438.3","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C202 H172 Cl6 N18 O16 U5 -","- C202 H170 Cl6 N18 O16 U5 -","- C404 H340 Cl12 N36 O32 U10 -","2","0.5","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of uranium(IV) complexes with calix[n]arenes (n = 4, 6 and 8): mononuclear, polynuclear and 1D polymeric species.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3629","3637","10.1039/b604712b","","","0.71073","MoKα","","0.1644","0.0746","","","0.1781","0.2096","","","","","","0.959","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007411","21.3919","0.0005","17.0589","0.0005","17.064","0.0005","90","","120.446","0.002","90","","5368.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H56 N4 O8 U -","- C58 H56 N4 O8 U -","- C232 H224 N16 O32 U4 -","4","0.5","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of uranium(IV) complexes with calix[n]arenes (n = 4, 6 and 8): mononuclear, polynuclear and 1D polymeric species.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3629","3637","10.1039/b604712b","","","0.71073","MoKα","","0.099","0.0705","","","0.1725","0.1864","","","","","","1.063","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007412","12.4838","0.0004","12.7588","0.0005","33.6497","0.0014","81.021","0.004","79.732","0.004","70.613","0.002","4947.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H104 N4 Na4 O20 U2 -","- C106 H99 N4 Na4 O20 U2 -","- C212 H198 N8 Na8 O40 U4 -","2","1","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of uranium(IV) complexes with calix[n]arenes (n = 4, 6 and 8): mononuclear, polynuclear and 1D polymeric species.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3629","3637","10.1039/b604712b","","","0.71073","MoKα","","0.0909","0.054","","","0.1344","0.1475","","","","","","1.049","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007413","26.448","0.003","10.0747","0.0014","29.331","0.006","90","","97.737","0.008","90","","7744","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C87 H74 F3 N6 O11 S U -","- C87 H74 F3 N6 O11 S U -","- C348 H296 F12 N24 O44 S4 U4 -","4","0.5","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of uranium(IV) complexes with calix[n]arenes (n = 4, 6 and 8): mononuclear, polynuclear and 1D polymeric species.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3629","3637","10.1039/b604712b","","","0.71073","MoKα","","0.0614","0.0487","","","0.1254","0.1312","","","","","","1.062","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007414","19.1477","0.001","15.6625","0.0008","17.5373","0.0009","90","","116.015","0.005","90","","4726.6","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl2 Mo N4 O2 -","- C24 H25 Cl2 Mo N4 O2 -","- C192 H200 Cl16 Mo8 N32 O16 -","8","2","","Hoffman, Justin T.; Tran, Ba L.; Carrano, Carl J.","Oxidation-state and metal-ion dependent stereoisomerization in oxo molybdenum and tungsten complexes of a bulky alkoxy heteroscorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3822","3830","10.1039/b604751c","","","0.71073","MoKα","","0.0649","0.045","","","0.1015","0.1068","","","","","","1.5","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007415","9.7589","0.0006","15.5178","0.001","15.408","0.0009","90","","94.171","0.001","90","","2327.2","0.2","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl Mo N4 O3 -","- C24 H25 Cl Mo N4 O3 -","- C96 H100 Cl4 Mo4 N16 O12 -","4","1","","Hoffman, Justin T.; Tran, Ba L.; Carrano, Carl J.","Oxidation-state and metal-ion dependent stereoisomerization in oxo molybdenum and tungsten complexes of a bulky alkoxy heteroscorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3822","3830","10.1039/b604751c","","","0.71073","MoKα","","0.0429","0.0376","","","0.0924","0.0955","","","","","","1.08","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007416","8.7513","0.0006","13.6366","0.0009","14.8639","0.001","72.021","0.001","73.22","0.001","80.756","0.001","1610.38","0.19","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 Cl2 Mo N6 O4 -","- C30 H39 Cl2 Mo N6 O4 -","- C60 H78 Cl4 Mo2 N12 O8 -","2","1","","Hoffman, Justin T.; Tran, Ba L.; Carrano, Carl J.","Oxidation-state and metal-ion dependent stereoisomerization in oxo molybdenum and tungsten complexes of a bulky alkoxy heteroscorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3822","3830","10.1039/b604751c","","","0.71073","MoKα","","0.0852","0.0805","","","0.1935","0.1968","","","","","","1.112","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007417","12.3441","0.0011","15.851","0.0014","15.9522","0.0015","93.312","0.004","91.687","0.004","93.927","0.004","3107","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl3 Mo N5 O2 -","- C30 H32 Cl3 Mo N5 O2 -","- C120 H128 Cl12 Mo4 N20 O8 -","4","2","","Hoffman, Justin T.; Tran, Ba L.; Carrano, Carl J.","Oxidation-state and metal-ion dependent stereoisomerization in oxo molybdenum and tungsten complexes of a bulky alkoxy heteroscorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3822","3830","10.1039/b604751c","","","0.71073","MoKα","","0.0978","0.0507","","","0.1234","0.1448","","","","","","1.035","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007418","9.5623","0.0006","29.6352","0.0018","9.4479","0.0005","90","","90","","90","","2677.4","0.3","200","2","200","2","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C25 H27 Cl2 Mo N4 O3.5 -","- C25 H27 Cl2 Mo N4 O3.5 -","- C100 H108 Cl8 Mo4 N16 O14 -","4","1","","Hoffman, Justin T.; Tran, Ba L.; Carrano, Carl J.","Oxidation-state and metal-ion dependent stereoisomerization in oxo molybdenum and tungsten complexes of a bulky alkoxy heteroscorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3822","3830","10.1039/b604751c","","","0.71073","MoKα","","0.0583","0.0398","","","0.1149","0.1294","","","","","","0.955","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007419","11.957","0.004","11.822","0.003","26.391","0.004","90","","94.96","0.02","90","","3716.5","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H56 Br N3 O8 -","- C29 H56 Br N3 O8 -","- C116 H224 Br4 N12 O32 -","4","1","","Cheng, Tsan-Hwang; Lee, Wei-Tsung; Jeng, Jie-Shiunh; Wu, Ching-Ming; Liu, Gin-Chung; Chiang, Michael Yen Nan; Wang, Yun-Ming","Synthesis and characterization of a novel paramagnetic macromolecular complex [Gd(TTDASQ-protamine)].","Dalton transactions (Cambridge, England : 2003)","2006","","43","5149","5155","10.1039/b604783a","","","0.71069","MoKα","","0.119","0.0378","","","0.0829","0.1152","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007420","30.0968","0.0012","30.0968","0.0012","30.0968","0.0012","90","","90","","90","","27262.2","1.9","213","2","213","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","Hexachloro Dihydroxo Tetraaqua mu-3-Hydroxotricopper(ii) mu-3- Oxotricopper(ii) Complex with 4,4'-(1,2,4-bitriazole), Chloride Semihydrate","Hexachloro Dihydroxo Tetraaqua mu-3-Hydroxotricopper(II) mu-3-Oxotricopper(II) Complex with 4,4'-(1,2,4-bitriazole), Chloride Semihydrate","","- C12 H24 Cl7 Cu6 N18 O8.5 -","- C12 H22 Cl7 Cu6 N18 O8.5 -","- C384 H704 Cl224 Cu192 N576 O272 -","32","0.166667","","Lysenko, Andrey B.; Govor, Evgen V.; Krautscheid, Harald; Domasevitch, Konstantin V.","Metal-organic frameworks incorporating Cu3(mu3-OH) clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3772","3776","10.1039/b604804h","","","0.71073","MoKα","","0.0539","0.0483","","","0.144","0.1472","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007421","11.9996","0.0011","21.0665","0.0017","15.6477","0.0017","90","","109.555","0.011","90","","3727.4","0.7","213","2","213","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Bis(mu-3-hydroxotricopper(ii)) heptakis(4,4'-bi(1,2,4- triazole)) Decabromide Hexahydrate","Bis[mu-3-hydroxotricopper(II)] heptakis[4,4'-bi(1,2,4-triazole)] Decabromide Hexahydrate","","- C28 H42 Br10 Cu6 N42 O8 -","- C28 H26 Br9 Cu6 N42 O2 -","- C56 H52 Br18 Cu12 N84 O4 -","2","0.25","","Lysenko, Andrey B.; Govor, Evgen V.; Krautscheid, Harald; Domasevitch, Konstantin V.","Metal-organic frameworks incorporating Cu3(mu3-OH) clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3772","3776","10.1039/b604804h","","","0.71073","MoKα","","0.0822","0.0494","","","0.1062","0.1125","","","","","","0.817","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007422","21.359","0.0019","12.0195","0.0008","28.954","0.002","90","","97.896","0.01","90","","7362.7","1","213","2","213","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(mu-3-hydroxotricopper(ii)) heptakis(4,4'-bi(1,2,4- triazole)) Decahloride Octahydrate","Bis[mu-3-hydroxotricopper(II)] heptakis[4,4'-bi(1,2,4-triazole)] Decahloride Octahydrate","","- C28 H46 Cl10 Cu6 N42 O10 -","- C28 H30 Cl10 Cu6 N42 O10 -","- C112 H120 Cl40 Cu24 N168 O40 -","4","1","","Lysenko, Andrey B.; Govor, Evgen V.; Krautscheid, Harald; Domasevitch, Konstantin V.","Metal-organic frameworks incorporating Cu3(mu3-OH) clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3772","3776","10.1039/b604804h","","","0.71073","MoKα","","0.0845","0.0757","","","0.1985","0.2019","","","","","","1.098","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007423","10.0867","0.0008","17.2051","0.0015","18.8175","0.0016","90.331","0.01","102.566","0.01","95.663","0.01","3170.6","0.5","123","2","123","2","","","","","","","","8","P -1","-P 1","2","Nitrosyl-nitrito(nitrato40%)-trans-bis(triisopropylphosphine)- benzylidene-rhenium(-I) tetrakis(2,4-trifluoromethylphenyl)borate","Nitrosyl-nitrito(nitrato40%)-trans-bis(triisopropylphosphine)- benzylidene-rhenium(-I) tetrakis(2,4-trifluoromethylphenyl)borate","","- C57 H60 B F24 N2 O3.4 P2 Re -","- C57 H60 B F24 N2 O3.4 P2 Re -","- C114 H120 B2 F48 N4 O6.8 P4 Re2 -","2","1","","Frech, C. M.; Blacque, O.; Schmalle, H. W.; Berke, H.","Ligand controlled dioxygen oxidation of rhenium nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4590","4598","10.1039/b604858g","","","0.71073","MoKα","","0.0766","0.0513","","","0.1144","0.1237","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007424","9.8544","0.0007","17.4738","0.0012","18.3549","0.0014","91.674","0.009","100.282","0.009","95.462","0.008","3092.3","0.4","123","2","123","2","","","","","","","","8","P -1","-P 1","2","Dinitrosyl-trans-bis(triisopropylphosphine)benzylidene- rhenium(-I) tetrakis(3,5-bis(trifluoromethyl)phenyl)-borate","Dinitrosyl-trans-bis(triisopropylphosphine)benzylidene-rhenium(-I) tetrakis(3,5-bis(trifluoromethyl)phenyl)-borate","","- C57 H60 B F24 N2 O2 P2 Re -","- C57 H60 B F24 N2 O2 P2 Re -","- C114 H120 B2 F48 N4 O4 P4 Re2 -","2","1","","Frech, C. M.; Blacque, O.; Schmalle, H. W.; Berke, H.","Ligand controlled dioxygen oxidation of rhenium nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4590","4598","10.1039/b604858g","","","0.71073","MoKα","","0.0433","0.0313","","","0.078","0.0873","","","","","","1.081","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007425","12.792","0.006","19.661","0.01","20.805","0.01","85.705","0.009","89.699","0.008","78.322","0.009","5110","4","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","","","- C172 H182 Cl4 F16 Mo8 N16 O43 -","- C172 H178 Cl4 F16 Mo8 N16 O43 -","- C172 H178 Cl4 F16 Mo8 N16 O43 -","1","0.5","","Cotton, F. Albert; Murillo, Carlos A.; Yu, Rongmin","Dynamic equilibrium between cyclic oligomers. Thermodynamic and structural characterization of a square and a triangle.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3900","3905","10.1039/b604928a","","","0.71073","MoKα","","0.1363","0.0989","","","0.2473","0.2761","","","","","","1.094","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007426","12.657","0.005","20.015","0.007","29.685","0.011","103.632","0.007","100.921","0.006","97.011","0.006","7066","5","186","2","186","2","","","","","","","","7","P -1","-P 1","2","","","","- C124.5 H120 Cl7 F12 Mo6 N12 O28.5 -","- C124.5 H90 Cl7 F12 Mo6 N12 O28.501 -","- C249 H180 Cl14 F24 Mo12 N24 O57.002 -","2","1","","Cotton, F. Albert; Murillo, Carlos A.; Yu, Rongmin","Dynamic equilibrium between cyclic oligomers. Thermodynamic and structural characterization of a square and a triangle.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3900","3905","10.1039/b604928a","","","0.71073","MoKα","","0.098","0.0808","","","0.2048","0.2169","","","","","","1.141","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007427","8.1356","0.0016","11.995","0.002","13.007","0.003","67.04","0.03","77.11","0.03","75.53","0.03","1120.4","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","X-Seed","","","- C24 H21 Bi O9 -","- C24 H21 Bi O9 -","- C48 H42 Bi2 O18 -","2","1","","Andrews, Philip C.; Deacon, Glen B.; Junk, Peter C.; Kumar, Ish; Silberstein, Morry","Synthetic and structural comparisons of bismuth(III) carboxylates synthesised under solvent-free and reflux conditions.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4852","4858","10.1039/b605002f","","","0.71073","MoKα","","0.0305","0.0253","","","0.0493","0.0506","","","","","","1.016","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007428","16.632","0.002","16.632","0.002","12.929","0.003","90","0.003","90","0.003","90","0.003","3576.5","1","123","2","123","2","","","","","","","","5","P -4 21 c","P -4 2n","114","X-Seed","","","- C18 H13 Bi N2 O4 -","- C18 H13 Bi N2 O4 -","- C144 H104 Bi8 N16 O32 -","8","1","","Andrews, Philip C.; Deacon, Glen B.; Junk, Peter C.; Kumar, Ish; Silberstein, Morry","Synthetic and structural comparisons of bismuth(III) carboxylates synthesised under solvent-free and reflux conditions.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4852","4858","10.1039/b605002f","","","0.71073","MoKα","","0.0433","0.0268","","","0.0354","0.04","","","","","","1.044","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007429","5.8179","0.0001","9.9233","0.0002","18.4741","0.0005","90","","90","","90","","1066.56","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","sa0523","","","- C12 H13 B Fe O2 -","- C12 H13 B Fe O2 -","- C48 H52 B4 Fe4 O8 -","4","1","","Bresner, Christopher; Day, Joanna K.; Coombs, Natalie D.; Fallis, Ian A.; Aldridge, Simon; Coles, Simon J.; Hursthouse, Michael B.","Fluoride anion binding by cyclic boronic esters: influence of backbone chelate on receptor integrity.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3660","3667","10.1039/B605031J","","","0.71073","MoKα","","0.0347","0.0328","","","0.0795","0.0812","","","","","","1.029","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007430","7.0116","0.0004","10.0523","0.0007","9.8912","0.0007","90","","104.211","0.003","90","","675.82","0.08","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","sa0418","","","- C14 H16 B2 Fe O4 -","- C14 H16 B2 Fe O4 -","- C28 H32 B4 Fe2 O8 -","2","0.25","","Bresner, Christopher; Day, Joanna K.; Coombs, Natalie D.; Fallis, Ian A.; Aldridge, Simon; Coles, Simon J.; Hursthouse, Michael B.","Fluoride anion binding by cyclic boronic esters: influence of backbone chelate on receptor integrity.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3660","3667","10.1039/B605031J","","","0.71073","MoKα","","0.0535","0.0449","","","0.0934","0.0966","","","","","","1.097","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007431","9.5746","0.0003","9.5746","0.0003","18.2224","0.0007","90","","90","","120","","1446.7","0.08","120","2","120","2","","","","","","","","5","P 31","P 31","144","","","","- C24 H21 B Fe O2 -","- C24 H21 B Fe O2 -","- C72 H63 B3 Fe3 O6 -","3","1","","Bresner, Christopher; Day, Joanna K.; Coombs, Natalie D.; Fallis, Ian A.; Aldridge, Simon; Coles, Simon J.; Hursthouse, Michael B.","Fluoride anion binding by cyclic boronic esters: influence of backbone chelate on receptor integrity.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3660","3667","10.1039/B605031J","","","0.71073","MoKα","","0.0271","0.026","","","0.0685","0.0696","","","","","","0.89","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007432","5.8359","0.0003","13.84","0.0007","14.7344","0.0008","90","","90","","90","","1190.08","0.11","150","2","150","2","","","","","","","","5","P b n 21","P 2c -2ab","33","sa0417","","","- C13 H15 B Fe O2 -","- C13 H15 B Fe O2 -","- C52 H60 B4 Fe4 O8 -","4","1","","Bresner, Christopher; Day, Joanna K.; Coombs, Natalie D.; Fallis, Ian A.; Aldridge, Simon; Coles, Simon J.; Hursthouse, Michael B.","Fluoride anion binding by cyclic boronic esters: influence of backbone chelate on receptor integrity.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3660","3667","10.1039/B605031J","","","0.71073","MoKα","","0.0512","0.0407","","","0.0863","0.092","","","","","","1.038","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007433","23.288","0.0003","17.4224","0.0004","17.8722","0.0003","90","","122.108","0.001","90","","6142.2","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sa0504","","","- C64 H70 B2 Fe2 O4 -","- C64 H70 B2 Fe2 O4 -","- C256 H280 B8 Fe8 O16 -","4","0.5","","Bresner, Christopher; Day, Joanna K.; Coombs, Natalie D.; Fallis, Ian A.; Aldridge, Simon; Coles, Simon J.; Hursthouse, Michael B.","Fluoride anion binding by cyclic boronic esters: influence of backbone chelate on receptor integrity.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3660","3667","10.1039/B605031J","","","0.71073","MoKα","","0.1291","0.1067","","","0.2913","0.3128","","","","","","1.038","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007434","10.7685","0.0003","12.7505","0.0004","19.0095","0.0006","89.514","0.002","73.968","0.002","76.025","0.001","2429.57","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","sa0524","","","- C57 H67 B2 Fe O4 -","- C57 H67 B2 Fe O4 -","- C114 H134 B4 Fe2 O8 -","2","1","","Bresner, Christopher; Day, Joanna K.; Coombs, Natalie D.; Fallis, Ian A.; Aldridge, Simon; Coles, Simon J.; Hursthouse, Michael B.","Fluoride anion binding by cyclic boronic esters: influence of backbone chelate on receptor integrity.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3660","3667","10.1039/B605031J","","","0.71073","MoKα","","0.1874","0.1237","","","0.3054","0.3554","","","","","","1.025","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007435","7.5202","0.0008","13.0771","0.0014","9.2673","0.0011","90","","95.981","0.004","90","","906.41","0.17","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C13 H19 Cu F6 N5 P -","- C13 H19 Cu F6 N5 P -","- C26 H38 Cu2 F12 N10 P2 -","2","0.5","","José Calhorda, Maria; Costa, Paulo J.; Crespo, Olga; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Naranjo, Mar; Quintal, Susana; Shi, Yu-Jun; Villacampa, M. Dolores","Group 11 complexes with the bis(3,5-dimethylpyrazol-1-yl)methane ligand. How secondary bonds can influence the coordination environment of Ag(I): the role of coordinated water in [Ag2(mu-L)2(OH2)2](OTf)2.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4104","4113","10.1039/b605034d","","","0.71073","MoKα","","0.0522","0.0368","","","0.0918","0.1006","","","","","","1.048","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007436","9.0683","0.0008","9.9695","0.0008","11.7296","0.001","65.37","0.003","70.331","0.003","81.97","0.003","907.71","0.14","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 Ag2 F6 N8 O8 S2 -","- C24 H36 Ag2 F6 N8 O8 S2 -","- C24 H36 Ag2 F6 N8 O8 S2 -","1","0.5","","José Calhorda, Maria; Costa, Paulo J.; Crespo, Olga; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Naranjo, Mar; Quintal, Susana; Shi, Yu-Jun; Villacampa, M. Dolores","Group 11 complexes with the bis(3,5-dimethylpyrazol-1-yl)methane ligand. How secondary bonds can influence the coordination environment of Ag(I): the role of coordinated water in [Ag2(mu-L)2(OH2)2](OTf)2.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4104","4113","10.1039/b605034d","","","0.71073","MoKα","","0.0267","0.0236","","","0.0627","0.0645","","","","","","1.032","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007437","14.558","0.0018","14.3493","0.0013","28.765","0.003","90","","90.219","0.008","90","","6008.9","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 Cl2 Cu F6 N8 P -","- C23 H34 Cl2 Cu F6 N8 P -","- C184 H272 Cl16 Cu8 F48 N64 P8 -","8","2","","José Calhorda, Maria; Costa, Paulo J.; Crespo, Olga; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Naranjo, Mar; Quintal, Susana; Shi, Yu-Jun; Villacampa, M. Dolores","Group 11 complexes with the bis(3,5-dimethylpyrazol-1-yl)methane ligand. How secondary bonds can influence the coordination environment of Ag(I): the role of coordinated water in [Ag2(mu-L)2(OH2)2](OTf)2.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4104","4113","10.1039/b605034d","","","0.71073","MoKα","","0.2104","0.0503","","","0.0598","0.0786","","","","","","0.709","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7007438","13.8993","0.0006","15.486","0.0006","14.2529","0.0006","90","","112.878","0.006","90","","2826.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 Ag F3 N8 O3 S -","- C23 H32 Ag F3 N8 O3 S -","- C92 H128 Ag4 F12 N32 O12 S4 -","4","1","","José Calhorda, Maria; Costa, Paulo J.; Crespo, Olga; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Naranjo, Mar; Quintal, Susana; Shi, Yu-Jun; Villacampa, M. Dolores","Group 11 complexes with the bis(3,5-dimethylpyrazol-1-yl)methane ligand. How secondary bonds can influence the coordination environment of Ag(I): the role of coordinated water in [Ag2(mu-L)2(OH2)2](OTf)2.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4104","4113","10.1039/b605034d","","","0.71073","MoKα","","0.0349","0.0282","","","0.076","0.0778","","","","","","1.117","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7007439","10.2324","0.0014","11.9903","0.001","9.9676","0.0018","96.561","0.01","96.066","0.014","91.311","0.009","1207.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Trisodium (bis(N-methyl-iminodiacetate)iron(iii)) diperchlorate trihydrate","Trisodium [bis(N-methyl-iminodiacetate)iron(III)] diperchlorate trihydrate","","- C10 H20 Cl2 Fe N2 Na3 O19 -","- C10 H20 Cl2 Fe N2 Na3 O19 -","- C20 H40 Cl4 Fe2 N4 Na6 O38 -","2","1","","Meier, Roland; Molinier, Michel; Anson, Chris; Powell, Anne K.; Kallies, Bernd; van Eldik, Rudi","Structure of sodium bis(N-methyl-iminodiacetato)iron(III): trans-meridional N-coordination in the solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5506","5514","10.1039/b605056e","","","0.71073","MoKα","","0.0449","0.0378","","","0.1063","0.1107","","","","","","1.059","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007440","13.5141","0.001","20.129","0.003","21.133","0.003","74.016","0.005","80.152","0.007","82.929","0.007","5427.5","1.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","carbonylbis(1,3-bis(diphenylstibino)propane)rhodium(I) hexafluorophosphate(V) dichloromethane solvate","","- C55.75 H53.5 Cl1.5 F6 O P Rh Sb4 -","- C55.75 H53.5 Cl1.5 F6 O P Rh Sb4 -","- C223 H214 Cl6 F24 O4 P4 Rh4 Sb16 -","4","2","","Brown, Michael D.; Levason, William; Reid, Gillian; Webster, Michael","Synthesis and properties of Rh(I) and Ir(I) distibine complexes with organometallic co-ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4039","4046","10.1039/b605198g","","","0.71073","MoKα","","0.0824","0.0509","","","0.0996","0.1109","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007441","28.147","0.006","10.9609","0.0016","15.724","0.003","90","","104.095","0.008","90","","4705.1","1.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloro(1,3-bis(diphenylstibino)propane)(1,3-bis(chlorophenylstibino)- propane)rhodium(III) chloride chloroform solvate","","- C43 H43 Cl8 Rh Sb4 -","- C43 H43 Cl8 Rh Sb4 -","- C172 H172 Cl32 Rh4 Sb16 -","4","1","","Brown, Michael D.; Levason, William; Reid, Gillian; Webster, Michael","Synthesis and properties of Rh(I) and Ir(I) distibine complexes with organometallic co-ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4039","4046","10.1039/b605198g","","","0.71073","MoKα","","0.1508","0.1057","","","0.1492","0.173","","","","","","1.164","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007442","8.3269","0.0002","14.7324","0.0005","19.1904","0.0005","90","","90","","90","","2354.19","0.12","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H26 Cl2 N4 O6 S -","- C18 H26 Cl2 N4 O6 S -","- C72 H104 Cl8 N16 O24 S4 -","4","0.5","","Yue, Nancy L. S.; Jennings, Michael C.; Puddephatt, Richard J.","Ring-opening polymerization of coordination complexes: silver(I) complexes with bis(amidopyridine) ligands derived from thiophene.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3886","3893","10.1039/b605340h","","","0.71073","MoKα","","0.1113","0.0871","","","0.2588","0.2833","","","","","","1.109","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007443","11.613","0.0005","14.0366","0.0005","16.2974","0.0006","65.287","0.002","81.037","0.002","72.264","0.002","2297.34","0.16","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H34 Ag2 Cl2 F6 N8 O8 S2 -","- C41 H34 Ag2 Cl2 F6 N8 O8 S2 -","- C82 H68 Ag4 Cl4 F12 N16 O16 S4 -","2","1","","Yue, Nancy L. S.; Jennings, Michael C.; Puddephatt, Richard J.","Ring-opening polymerization of coordination complexes: silver(I) complexes with bis(amidopyridine) ligands derived from thiophene.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3886","3893","10.1039/b605340h","","","0.71073","MoKα","","0.0701","0.0408","","","0.0896","0.0991","","","","","","1.061","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007444","11.6444","0.0014","12.9349","0.0017","15.5919","0.0016","68.512","0.006","76.221","0.007","73.795","0.006","2074","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H34 Ag2 Cl2 N10 O10 S2 -","- C37 H34 Ag2 Cl2 N10 O10 S2 -","- C74 H68 Ag4 Cl4 N20 O20 S4 -","2","1","","Yue, Nancy L. S.; Jennings, Michael C.; Puddephatt, Richard J.","Ring-opening polymerization of coordination complexes: silver(I) complexes with bis(amidopyridine) ligands derived from thiophene.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3886","3893","10.1039/b605340h","","","0.71073","MoKα","","0.1165","0.0616","","","0.1496","0.1746","","","","","","0.958","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007445","13.4354","0.0005","13.9401","0.0007","16.2085","0.0009","108.136","0.002","97.541","0.003","117.121","0.002","2430.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H38 Ag2 F6 N8 O11 S4 -","- C41 H38 Ag2 F6 N8 O11 S4 -","- C82 H76 Ag4 F12 N16 O22 S8 -","2","1","","Yue, Nancy L. S.; Jennings, Michael C.; Puddephatt, Richard J.","Ring-opening polymerization of coordination complexes: silver(I) complexes with bis(amidopyridine) ligands derived from thiophene.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3886","3893","10.1039/b605340h","","","0.71073","MoKα","","0.1173","0.0765","","","0.2055","0.2305","","","","","","1.037","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007446","11.5598","0.0003","19.7777","0.0005","12.8335","0.0003","90","","109.256","0.002","90","","2769.93","0.12","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Ag Cl4 F6 N4 O2 P S -","- C20 H20 Ag Cl4 F6 N4 O2 P S -","- C80 H80 Ag4 Cl16 F24 N16 O8 P4 S4 -","4","1","","Yue, Nancy L. S.; Jennings, Michael C.; Puddephatt, Richard J.","Ring-opening polymerization of coordination complexes: silver(I) complexes with bis(amidopyridine) ligands derived from thiophene.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3886","3893","10.1039/b605340h","","","0.71073","MoKα","","0.066","0.049","","","0.1337","0.1435","","","","","","1.073","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7007447","6.0773","0.0008","7.3465","0.001","9.7829","0.0016","102.253","0.008","91.961","0.009","109.728","0.008","399.1","0.1","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H16 N4 O2 S -","- C18 H16 N4 O2 S -","- C18 H16 N4 O2 S -","1","1","","Yue, Nancy L. S.; Jennings, Michael C.; Puddephatt, Richard J.","Ring-opening polymerization of coordination complexes: silver(I) complexes with bis(amidopyridine) ligands derived from thiophene.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3886","3893","10.1039/b605340h","","","0.71073","MoKα","","0.0474","0.0435","","","0.1063","0.1084","","","","","","1.136","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007448","7.7057","0.0011","12.7485","0.0016","14.185","0.002","112.983","0.007","104.112","0.006","94.866","0.008","1218.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C21.5 H19 Ag F3 N4 O4.5 S -","- C21.5 H19 Ag F3 N4 O4.5 S -","- C43 H38 Ag2 F6 N8 O9 S2 -","2","1","","Yue, Nancy L. S.; Jennings, Michael C.; Puddephatt, Richard J.","Ring-opening polymerization of coordination complexes: silver(I) complexes with bis(amidopyridine) ligands derived from thiophene.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3886","3893","10.1039/b605340h","","","0.71073","MoKα","","0.1426","0.0875","","","0.2135","0.2475","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007449","31.743","0.003","11.5195","0.0011","13.1968","0.0012","90","","98.297","0.002","90","","4775.1","0.8","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H31 N3 O2 S Ti -","- C24 H31 N3 O2 S Ti -","- C192 H248 N24 O16 S8 Ti8 -","8","1","","Joe, Dae June; Wu, Chun Ji; Bok, Taekki; Lee, Eun Jung; Lee, Choong Hoon; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","o-Phenylene-bridged Cp/sulfonamido titanium complexes for ethylene/1-octene copolymerization.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4056","4062","10.1039/b605345a","","","0.71073","MoKα","","0.0566","0.0376","","","0.0953","0.1136","","","","","","1.052","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007450","8.927","0.005","13.917","0.008","18.663","0.01","101.172","0.012","97.017","0.013","102.053","0.013","2192","2","233","2","233","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H36 Cl4 F4 N2 O5 S2 Ti2 -","- C40 H36 Cl4 F4 N2 O5 S2 Ti2 -","- C80 H72 Cl8 F8 N4 O10 S4 Ti4 -","2","1","","Joe, Dae June; Wu, Chun Ji; Bok, Taekki; Lee, Eun Jung; Lee, Choong Hoon; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","o-Phenylene-bridged Cp/sulfonamido titanium complexes for ethylene/1-octene copolymerization.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4056","4062","10.1039/b605345a","","","0.71073","MoKα","","0.3708","0.0924","","","0.1957","0.3499","","","","","","0.856","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007451","11.194","0.004","9.734","0.003","19.677","0.007","90","","90","","90","","2144.1","1.3","233","2","233","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cl2 N O2 S Ti -","- C21 H21 Cl2 N O2 S Ti -","- C84 H84 Cl8 N4 O8 S4 Ti4 -","4","1","","Joe, Dae June; Wu, Chun Ji; Bok, Taekki; Lee, Eun Jung; Lee, Choong Hoon; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","o-Phenylene-bridged Cp/sulfonamido titanium complexes for ethylene/1-octene copolymerization.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4056","4062","10.1039/b605345a","","","0.71073","MoKα","","0.1561","0.0639","","","0.1429","0.2004","","","","","","1.05","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007452","18.5148","0.0006","16.7629","0.0006","21.3319","0.0008","90","","94.46","0.01","90","","6600.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 Cl4 Co2 N18 O16 -","- C60 H52 Cl4 Co2 N18 O16 -","- C240 H208 Cl16 Co8 N72 O64 -","4","0.5","","Heirtzler, Fenton; Santi, Saverio; Howland, Kevin; Weyhermüller, Thomas","Formation of a solubilized cobalt block oligomer from a M2L-type double helicate.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4722","4729","10.1039/b605512e","","","0.71073","MoKα","","0.0338","0.0295","","","0.0765","0.0793","","","","","","1.05","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007453","10.93","0.002","12.558","0.002","22.71","0.004","90","","90","","90","","3117.2","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N6 O4 -","- C36 H32 N6 O4 -","- C144 H128 N24 O16 -","4","1","","Wu, Da-Yu; Xie, Li-Xia; Zhang, Chang-Li; Duan, Chun-Ying; Zhao, Yong-Gang; Guo, Zi-Jian","Quinoline-based molecular clips for selective fluorescent detection of Zn2+.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3528","3533","10.1039/b605653a","","","0.71073","MoKα","","0.1774","0.0396","","","0.06","0.0993","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007454","24.676","0.006","19.217","0.004","15.276","0.004","90","","94.85","0.004","90","","7218","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H60 Cl2 N16 O17 Zn2 -","- C67.87 H58 Cl2 N16 O17 Zn2 -","- C271.48 H232 Cl8 N64 O68 Zn8 -","4","0.5","","Wu, Da-Yu; Xie, Li-Xia; Zhang, Chang-Li; Duan, Chun-Ying; Zhao, Yong-Gang; Guo, Zi-Jian","Quinoline-based molecular clips for selective fluorescent detection of Zn2+.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3528","3533","10.1039/b605653a","","","0.71073","MoKα","","0.0778","0.0604","","","0.1759","0.184","","","","","","1.069","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007455","8.7133","0.0017","10.2885","0.0018","12.011","0.002","94.105","0.015","94.136","0.017","103.709","0.016","1039","0.3","140","2","140","2","","","","","","","","4","P -1","-P 1","2","Tris((1-vinylimidazol-2-yl)methyl)amine","Tris[(1-vinylimidazol-2-yl)methyl]amine","","- C18 H25 N7 O2 -","- C18 H25 N7 O2 -","- C36 H50 N14 O4 -","2","1","","Schiller, Alexander; Scopelliti, Rosario; Severin, Kay","Enhanced hydrolytic activity of Cu(II) and Zn(II) complexes in highly cross-linked polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3858","3867","10.1039/b605676h","","","0.71073","MoKα","","0.0729","0.053","","","0.1339","0.1434","","","","","","0.963","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007456","13.8886","0.0004","24.7471","0.0011","14.5306","0.0008","90","","108.775","0.004","90","","4728.5","0.4","140","2","140","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C18 H21 Cl F6 N7 P Zn -","- C18 H21 Cl F6 N7 P Zn -","- C144 H168 Cl8 F48 N56 P8 Zn8 -","8","1","","Schiller, Alexander; Scopelliti, Rosario; Severin, Kay","Enhanced hydrolytic activity of Cu(II) and Zn(II) complexes in highly cross-linked polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3858","3867","10.1039/b605676h","","","0.71073","MoKα","","0.0334","0.0269","","","0.0723","0.0749","","","","","","1.05","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007457","13.5389","0.0009","24.865","0.002","14.5342","0.0011","90","","108.009","0.006","90","","4653.2","0.6","140","2","140","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C18 H21 Cl Cu F6 N7 P -","- C18 H21 Cl Cu F6 N7 P -","- C144 H168 Cl8 Cu8 F48 N56 P8 -","8","1","","Schiller, Alexander; Scopelliti, Rosario; Severin, Kay","Enhanced hydrolytic activity of Cu(II) and Zn(II) complexes in highly cross-linked polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3858","3867","10.1039/b605676h","","","0.71073","MoKα","","0.0654","0.0438","","","0.1043","0.1135","","","","","","0.949","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007458","8.5886","0.0016","13.3393","0.0019","17.721","0.003","101.074","0.012","96.831","0.014","92.85","0.013","1972.8","0.6","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H34 Cu F6 N9 O8.5 P2 -","- C32 H34 Cu F6 N9 O8.5 P2 -","- C64 H68 Cu2 F12 N18 O17 P4 -","2","1","","Schiller, Alexander; Scopelliti, Rosario; Severin, Kay","Enhanced hydrolytic activity of Cu(II) and Zn(II) complexes in highly cross-linked polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3858","3867","10.1039/b605676h","","","0.71073","MoKα","","0.1884","0.1356","","","0.3044","0.3275","","","","","","1.118","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007459","11.567","0.0009","17.538","0.0013","19.5684","0.0015","90","","90","","90","","3969.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H56 Li2 N10 O3 -","- C36 H56 Li2 N10 O3 -","- C144 H224 Li8 N40 O12 -","4","1","","Otero, Antonio; Fernández-Baeza, Juan; Antiñolo, Antonio; Tejeda, Juan; Lara-Sánchez, Agustín; Sánchez-Barba, Luis; Sánchez-Molina, Margarita; Franco, Sonia; López-Solera, Isabel; Rodríguez, Ana M","Design of new heteroscorpionate ligands and their coordinative ability toward Group 4 transition metals; an efficient synthetic route to obtain enantiopure ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4359","4370","10.1039/b605703a","","","0.71073","MoKα","","0.0553","0.0447","","","0.1134","0.1301","","","","","","1.108","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007460","37.375","0.005","9.892","0.003","30.905","0.003","90","","97.57","0.02","90","","11326","4","230","2","230","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H59 Cl10 N10 S2 Ti2 -","- C36 H59 Cl10 N10 S2 Ti2 -","- C288 H472 Cl80 N80 S16 Ti16 -","8","1","","Otero, Antonio; Fernández-Baeza, Juan; Antiñolo, Antonio; Tejeda, Juan; Lara-Sánchez, Agustín; Sánchez-Barba, Luis; Sánchez-Molina, Margarita; Franco, Sonia; López-Solera, Isabel; Rodríguez, Ana M","Design of new heteroscorpionate ligands and their coordinative ability toward Group 4 transition metals; an efficient synthetic route to obtain enantiopure ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4359","4370","10.1039/b605703a","","","0.71073","MoKα","","0.1794","0.0839","","","0.2532","0.3082","","","","","","1.031","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007461","19.185","0.002","8.806","0.003","14.696","0.002","90","","90","","90","","2482.8","0.9","290","2","290","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H32 Li N5 O S Si -","- C19 H32 Li N5 O S Si -","- C76 H128 Li4 N20 O4 S4 Si4 -","4","1","","Otero, Antonio; Fernández-Baeza, Juan; Antiñolo, Antonio; Tejeda, Juan; Lara-Sánchez, Agustín; Sánchez-Barba, Luis; Sánchez-Molina, Margarita; Franco, Sonia; López-Solera, Isabel; Rodríguez, Ana M","Design of new heteroscorpionate ligands and their coordinative ability toward Group 4 transition metals; an efficient synthetic route to obtain enantiopure ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4359","4370","10.1039/b605703a","","","0.71073","MoKα","","0.236","0.0769","","","0.1852","0.2391","","","","","","1.016","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007462","9.119","0.005","11.111","0.005","14.916","0.005","82.768","0.005","79.333","0.005","83.661","0.005","1467.5","1.2","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C29 H37 Cl N2 Ni O2 P Rh S2 -","- C29 H37 Cl N2 Ni O2 P Rh S2 -","- C58 H74 Cl2 N4 Ni2 O4 P2 Rh2 S4 -","2","1","","Jeffery, Stephen P.; Green, Kayla N.; Rampersad, Marilyn V.; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.","NiN(2)S(2) complexes as metallodithiolate ligands to Rh(I), Rh(II) and Rh(III).","Dalton transactions (Cambridge, England : 2003)","2006","","35","4244","4252","10.1039/b605768c","","","0.71073","MoKα","","0.0715","0.0562","","","0.1327","0.1429","","","","","","1.078","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007463","12.611","0.003","12.738","0.003","13.248","0.003","102.397","0.004","94.325","0.004","118.55","0.004","1786","0.7","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H84 F12 N14 Ni4 O8 Rh2 S8 -","- C52 H84 F12 N12 Ni4 O8 Rh2 S8 -","- C52 H84 F12 N12 Ni4 O8 Rh2 S8 -","1","0.5","","Jeffery, Stephen P.; Green, Kayla N.; Rampersad, Marilyn V.; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.","NiN(2)S(2) complexes as metallodithiolate ligands to Rh(I), Rh(II) and Rh(III).","Dalton transactions (Cambridge, England : 2003)","2006","","35","4244","4252","10.1039/b605768c","","","0.71073","MoKα","","0.0468","0.0433","","","0.1149","0.1197","","","","","","1.029","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007464","21.507","0.002","21.507","0.002","15.769","0.002","90","","90","","120","","6316.8","1.2","110","2","110","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C54 H108 B6 F24 N12 Ni6 Rh2 S12 -","- C27 H54 B3 F12 N6 Ni3 Rh S6 -","- C162 H324 B18 F72 N36 Ni18 Rh6 S36 -","6","0.333333","","Jeffery, Stephen P.; Green, Kayla N.; Rampersad, Marilyn V.; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.","NiN(2)S(2) complexes as metallodithiolate ligands to Rh(I), Rh(II) and Rh(III).","Dalton transactions (Cambridge, England : 2003)","2006","","35","4244","4252","10.1039/b605768c","","","1.54178","CuKα","","0.0707","0.0498","","","0.0915","0.0972","","","","","","1.008","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007465","12.3447","0.0009","13.9613","0.0011","16.0694","0.0012","82.218","0.006","85.885","0.006","64.76","0.008","2481.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H72 Cl N8 Na O8 -","- C45 H68 Cl N8 Na O8 -","- C90 H136 Cl2 N16 Na2 O16 -","2","1","","Pope, Simon J. A.; Laye, Rebecca H.","Design, synthesis and photophysical studies of an emissive, europium based, sensor for zinc.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3108","3113","10.1039/b605837j","","","0.71073","MoKα","","0.124","0.0908","","","0.2697","0.2936","","","","","","1.075","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007466","11.2765","0.0005","18.3391","0.0007","19.721","0.0008","90","","94.044","0.001","90","","4068.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tetra-aqua-(1,4,7,10-terakis(carbamoylmethyl)-1,7-diaza-4,10- diazoniumcyclodecane)-gadolinium penta-perchlorate trihydrate","Tetra-aqua-(1,4,7,10-terakis(carbamoylmethyl)- 1,7-diaza-4,10-diazoniumcyclodecane)-gadolinium penta-perchlorate trihydrate","","- C16 H48 Cl5 Gd N8 O31 -","- C16 H48 Cl5 Gd N8 O31 -","- C64 H192 Cl20 Gd4 N32 O124 -","4","1","","Stenson, Philip A.; Thompson, Amber L.; Parker, David","Structural characterisation of a diprotonated ligand lanthanide complex‒a key intermediate in lanthanide ion association and complex dissociation pathways.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3291","3293","10.1039/b605876k","","","0.71073","MoKα","","0.0475","0.0352","","","0.0729","0.0771","","","","","","1.073","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007467","7.1829","0.0014","7.3477","0.0014","33.014","0.006","90","","90.1","0.01","90","","1742.4","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(2-diphenylphosphino-ethyl)-4-methyl-piperazine","1-(2-diphenylphosphino-ethyl)-4-methyl-piperazine","","- C19 H25 N2 P -","- C19 H25 N2 P -","- C76 H100 N8 P4 -","4","1","","Anderson, Carly E.; Apperley, David C.; Batsanov, Andrei S.; Dyer, Philip W.; Howard, Judith A. K.","Concise syntheses of tridentate PNE ligands and their coordination chemistry with palladium(II) : a solution- and solid-state study.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4134","4145","10.1039/b605995c","","","0.71073","MoKα","","0.0919","0.0753","","","0.1933","0.2008","","","","","","1.121","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007468","20.016","0.002","68.506","0.009","5.946","0.0007","90","","90","","90","","8153.3","1.7","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","1-(2-diphenylphosphino-isopropyl)-4-methyl-piperazine hydrochloride","1-(2-diphenylphosphino-isopropyl)-4-methyl-piperazine hydrochloride","","- C20 H28 Cl N2 P -","- C20 H28 Cl N2 P -","- C320 H448 Cl16 N32 P16 -","16","1","","Anderson, Carly E.; Apperley, David C.; Batsanov, Andrei S.; Dyer, Philip W.; Howard, Judith A. K.","Concise syntheses of tridentate PNE ligands and their coordination chemistry with palladium(II) : a solution- and solid-state study.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4134","4145","10.1039/b605995c","","","0.71073","MoKα","","0.0909","0.0711","","","0.1554","0.1639","","","","","","1.132","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007469","7.938","0.001","9.597","0.001","13.675","0.001","75.08","0.01","80.52","0.01","88.71","0.01","992.69","0.19","120","2","120","2","","","","","","","","6","P -1","-P 1","2","1-(2-diphenylphosphino-ethyl)-4-methyl-piperazine palladium dichloride","1-(2-diphenylphosphino-ethyl)-4-methyl-piperazine palladium dichloride","","- C19 H25 Cl2 N2 P Pd -","- C19 H25 Cl2 N2 P Pd -","- C38 H50 Cl4 N4 P2 Pd2 -","2","1","","Anderson, Carly E.; Apperley, David C.; Batsanov, Andrei S.; Dyer, Philip W.; Howard, Judith A. K.","Concise syntheses of tridentate PNE ligands and their coordination chemistry with palladium(II) : a solution- and solid-state study.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4134","4145","10.1039/b605995c","","","0.71073","MoKα","","0.0367","0.0272","","","0.0586","0.0614","","","","","","0.992","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007470","16.9252","0.0017","8.6573","0.0009","18.0774","0.0018","90","","92.94","0.01","90","","2645.3","0.5","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","P,N,N-(1-(2-diphenylphosphino-ethyl)-4-methyl-piperazine)- chloro-palladium tetraaqua-bis(sulfato)magnesium hexahydrate","P,N,N-{1-(2-diphenylphosphino-ethyl)-4-methyl-piperazine}- chloro-palladium tetraaqua-bis(sulfato)magnesium hexahydrate","","- C38 H70 Cl2 Mg N4 O18 P2 Pd2 S2 -","- C38 H70 Cl2 Mg N4 O18 P2 Pd2 S2 -","- C76 H140 Cl4 Mg2 N8 O36 P4 Pd4 S4 -","2","0.5","","Anderson, Carly E.; Apperley, David C.; Batsanov, Andrei S.; Dyer, Philip W.; Howard, Judith A. K.","Concise syntheses of tridentate PNE ligands and their coordination chemistry with palladium(II) : a solution- and solid-state study.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4134","4145","10.1039/b605995c","","","0.71073","MoKα","","0.0313","0.0246","","","0.0542","0.0565","","","","","","1.07","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007471","11.0551","0.0013","8.1413","0.0003","9.399","0.001","90","","90","","90","","845.94","0.14","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","N-methyl-piperazine palladium dichloride","N-methyl-piperazine palladium dichloride","","- C5 H12 Cl2 N2 Pd -","- C5 H12 Cl2 N2 Pd -","- C20 H48 Cl8 N8 Pd4 -","4","0.5","","Anderson, Carly E.; Apperley, David C.; Batsanov, Andrei S.; Dyer, Philip W.; Howard, Judith A. K.","Concise syntheses of tridentate PNE ligands and their coordination chemistry with palladium(II) : a solution- and solid-state study.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4134","4145","10.1039/b605995c","","","0.71073","MoKα","","0.02","0.0187","","","0.0471","0.0479","","","","","","1.054","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007472","11.416","0.0013","11.6326","0.0013","12.447","0.0015","86.285","0.003","73.048","0.003","70.442","0.002","1488.9","0.3","198","1","198","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 F15 Li O4 Ti -","- C26 H26 F15 Li O4 Ti -","- C52 H52 F30 Li2 O8 Ti2 -","2","1","","Decken, Andreas; Nikiforov, Grigori B.; Passmore, Jack","The reaction of TiF4 with Li(OC(CF3)2Ph): direct synthetic route to the lithium-titanium heterometallic fluoride bridged complex {Li(THF)2TiF3(OC(CF3)2Ph)2}2 and Ti(OC(CF3)2Ph)4 alkoxide.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4328","4334","10.1039/b606012a","","x-ray","0.71073","MoKα","","0.0514","0.0403","","","0.1131","0.12","","","","","","1.11","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007473","10.6982","0.0008","16.9668","0.0011","21.8494","0.0015","90","","101.998","0.001","90","","3879.3","0.5","198","1","198","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 F24 O4 Ti -","- C36 H20 F24 O4 Ti -","- C144 H80 F96 O16 Ti4 -","4","1","","Decken, Andreas; Nikiforov, Grigori B.; Passmore, Jack","The reaction of TiF4 with Li(OC(CF3)2Ph): direct synthetic route to the lithium-titanium heterometallic fluoride bridged complex {Li(THF)2TiF3(OC(CF3)2Ph)2}2 and Ti(OC(CF3)2Ph)4 alkoxide.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4328","4334","10.1039/b606012a","","x-ray","0.71073","MoKα","","0.0485","0.034","","","0.088","0.0946","","","","","","1.056","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7007474","11.9542","0.0012","12.6502","0.0012","17.5705","0.0017","79.126","0.002","80.599","0.002","66.344","0.002","2378.7","0.4","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H76 N12 O6 Ti -","- C42 H76 N12 O6 Ti -","- C84 H152 N24 O12 Ti2 -","2","1","","Peri, Dani; Alexander, Jacob S.; Tshuva, Edit Y.; Melman, Artem","Distinctive structural features of hydroxyamino-1,3,5-triazine ligands leading to enhanced hydrolytic stability of their titanium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4169","4172","10.1039/b606072b","","","0.71073","MoKα","","0.1348","0.0916","","","0.1827","0.2024","","","","","","1.074","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007475","9.8684","0.0004","12.3433","0.0005","13.2434","0.0005","75.354","0.001","76.572","0.001","83.254","0.001","1515.11","0.1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","(Gd.DOTAM)Cl!3$.6H!2$O","[Gd.DOTAM]Cl~3~.6H~2~O","","- C16 H46 Cl3 Gd N8 O11 -","- C16 H46 Cl3 Gd N8 O11 -","- C32 H92 Cl6 Gd2 N16 O22 -","2","1","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.0179","0.0169","","","0.0407","0.041","","","","","","1.061","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007476","10.1223","0.0007","12.4165","0.0009","13.5247","0.0008","75.699","0.003","76.447","0.003","83.308","0.003","1598.18","0.19","110","2","110","2","","","","","","","","6","P -1","-P 1","2","(Gd.DOTAM)Cl!3$.6H!2$O","[Gd.DOTAM]Cl~3~.6H~2~O","","- C16 H46 Br3 Gd N8 O11 -","- C16 H40 Br3 Gd N8 O11 -","- C32 H80 Br6 Gd2 N16 O22 -","2","1","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.0556","0.047","","","0.1105","0.1141","","","","","","1.184","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007477","15.285","0.001","12.265","0.0008","15.5372","0.001","90","","91.138","0.001","90","","2912.2","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Gd.2]Cl3","[Gd.DOTAPh]Cl~3~.8H~2~O","","- C48 H82 Cl3 Gd N8 O13 -","- C48 H82 Cl3 Gd N8 O13 -","- C96 H164 Cl6 Gd2 N16 O26 -","2","1","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.0322","0.0312","","","0.0772","0.078","","","","","","1.066","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007478","19.0018","0.0011","19.0018","0.0011","14.7698","0.0011","90","","90","","90","","5332.9","0.6","300","2","300","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","(Gd.DOTAPh)Br!3$","[Gd.DOTAPh]Br~3~","","- C48 H66 Br3 Gd N8 O5 -","- C48 H66 Br3 Gd N8 O5 -","- C192 H264 Br12 Gd4 N32 O20 -","4","0.5","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.0848","0.0443","","","0.0968","0.1188","","","","","","1.048","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007479","19.3897","0.0013","19.3897","0.0013","14.8981","0.0014","90","","90","","90","","5601.1","0.7","300","2","300","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","(Gd.DOTAPh)Br!3$","[Gd.DOTAPh]Br~3~","","- C48 H66 Gd I3 N8 O5 -","- C48 H66 Gd I3 N8 O5 -","- C192 H264 Gd4 I12 N32 O20 -","4","0.5","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.0418","0.0305","","","0.0734","0.0771","","","","","","0.991","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007480","22.0655","0.0018","11.2776","0.0009","33.982","0.003","90","","94.113","0.001","90","","8434.5","1.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","(Yb.DOTAPh)Cl!3$.7H!2$O","[Yb.DOTAPh]Cl~3~.7H~2~O","","- C48 H78 Cl3 N8 O12 Yb -","- C48 H64 Cl3 N8 O12 Yb -","- C288 H384 Cl18 N48 O72 Yb6 -","6","3","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.0573","0.0534","","","0.1122","0.1141","","","","","","1.169","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007481","13.9399","0.0011","22.68","0.0018","18.0276","0.0015","90","","93.699","0.001","90","","5687.7","0.8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","(Yb.DOTAPh)Br!3$.7H!2$O","[Yb.DOTAPh]Br~3~.7H~2~O","","- C48 H78 Br3 N8 O12 Yb -","- C48 H64 Br3 N8 O12 Yb -","- C192 H256 Br12 N32 O48 Yb4 -","4","2","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.0589","0.0432","","","0.1087","0.1178","","","","","","1.102","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007482","19.617","0.0013","19.7668","0.0014","14.5591","0.001","90","","90","","90","","5645.5","0.7","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","(Yb.DOTAPh)I!3$","[Yb.DOTAPh]I~3~","","- C48 H66 I3 N8 O5 Yb -","- C48 H66 I2.99 N8 O5 Yb -","- C192 H264 I11.96 N32 O20 Yb4 -","4","1","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.1071","0.0734","","","0.1668","0.1942","","","","","","1.139","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007483","11.3654","0.0005","12.594","0.0005","11.908","0.0005","77.66","0.001","77.559","0.001","78.109","0.001","1602.95","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","[Gd.1]Cl3","[Gd.DOTAM]Cl~3~.6H~2~O","","- C16 H40 Gd I3 N8 O8 -","- C16 H40 Gd I3 N8 O8 -","- C32 H80 Gd2 I6 N16 O16 -","2","1","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.0489","0.035","","","0.0681","0.0724","","","","","","1.031","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007484","13.585","0.0004","20.2764","0.0007","18.1326","0.0004","90","","90.873","0.001","90","","4994.1","0.3","297","2","297","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 Cs4.5 O46.75 Ru S Si W11 -","- C2 H6 Cs4.5 O46.75 Ru S Si W11 -","- C8 H24 Cs18 O187 Ru4 S4 Si4 W44 -","4","1","","Sadakane, Masahiro; Tsukuma, Daisuke; Dickman, Michael H.; Bassil, Bassem; Kortz, Ulrich; Higashijima, Michio; Ueda, Wataru","Structural characterization of mono-ruthenium substituted Keggin-type silicotungstates.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4271","4276","10.1039/b606266k","","","0.71073","MoKα","","0.088","0.0518","","","0.1415","0.165","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007485","20.9299","0.0004","20.9299","0.0004","10.3603","0.0004","90","","90","","90","","4538.4","0.2","297","2","297","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- Cs5 O44 Ru Si W11 -","- Cs4.98 O44 Ru0.96 Si W11.04 -","- Cs19.92 O176 Ru3.84 Si4 W44.16 -","4","0.25","","Sadakane, Masahiro; Tsukuma, Daisuke; Dickman, Michael H.; Bassil, Bassem; Kortz, Ulrich; Higashijima, Michio; Ueda, Wataru","Structural characterization of mono-ruthenium substituted Keggin-type silicotungstates.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4271","4276","10.1039/b606266k","","","0.71073","MoKα","","0.0855","0.0592","","","0.1652","0.1845","","","","","","1.003","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007486","24.007","0.003","7.2451","0.0009","19.331","0.002","90","","113.671","0.002","90","","3079.4","0.6","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Mn N4 O8 -","- C11 H14 Mn N4 O8 -","- C88 H112 Mn8 N32 O64 -","8","2","","Chen, Chun-Long; Ellsworth, Joseph M.; Goforth, Andrea M.; Smith, Mark D.; Su, Cheng-Yong; Zur Loye, Hans-Conrad","A new 2-carboxylate-substituted 4,4'-bipyridine ligand: coordination chemistry of 4,4'-bipyridine-2-carboxylic acid and its synthetic intermediate 2-methyl-4,4'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5278","5286","10.1039/b606280f","","","0.71073","MoKα","","0.05","0.0452","","","0.0958","0.098","","","","","","1.125","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007487","11.152","0.0008","13.1262","0.0009","11.6168","0.0008","90","","112.855","0.001","90","","1567","0.19","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Cl2 Mn N6 O10 -","- C26 H30 Cl2 Mn N6 O10 -","- C52 H60 Cl4 Mn2 N12 O20 -","2","0.5","","Chen, Chun-Long; Ellsworth, Joseph M.; Goforth, Andrea M.; Smith, Mark D.; Su, Cheng-Yong; Zur Loye, Hans-Conrad","A new 2-carboxylate-substituted 4,4'-bipyridine ligand: coordination chemistry of 4,4'-bipyridine-2-carboxylic acid and its synthetic intermediate 2-methyl-4,4'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5278","5286","10.1039/b606280f","","","0.71073","MoKα","","0.0421","0.0384","","","0.1008","0.1032","","","","","","1.053","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007488","19.3775","0.001","7.6358","0.0004","15.1202","0.0007","90","","93.305","0.001","90","","2233.5","0.19","150","1","150","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H22 Mn N4 O8 -","- C22 H22 Mn N4 O8 -","- C88 H88 Mn4 N16 O32 -","4","0.5","","Chen, Chun-Long; Ellsworth, Joseph M.; Goforth, Andrea M.; Smith, Mark D.; Su, Cheng-Yong; Zur Loye, Hans-Conrad","A new 2-carboxylate-substituted 4,4'-bipyridine ligand: coordination chemistry of 4,4'-bipyridine-2-carboxylic acid and its synthetic intermediate 2-methyl-4,4'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5278","5286","10.1039/b606280f","","","0.71073","MoKα","","0.0391","0.0344","","","0.0833","0.086","","","","","","1.045","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007489","19.4456","0.0012","7.6438","0.0004","14.8027","0.0009","90","","93.582","0.001","90","","2195.9","0.2","150","1","150","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H22 N4 O8 Zn -","- C22 H22 N4 O8 Zn -","- C88 H88 N16 O32 Zn4 -","4","0.5","","Chen, Chun-Long; Ellsworth, Joseph M.; Goforth, Andrea M.; Smith, Mark D.; Su, Cheng-Yong; Zur Loye, Hans-Conrad","A new 2-carboxylate-substituted 4,4'-bipyridine ligand: coordination chemistry of 4,4'-bipyridine-2-carboxylic acid and its synthetic intermediate 2-methyl-4,4'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5278","5286","10.1039/b606280f","","","0.71073","MoKα","","0.0302","0.0277","","","0.0742","0.0753","","","","","","1.077","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007490","30.3812","0.0018","5.0478","0.0003","16.3401","0.0009","90","","108.268","0.001","90","","2379.6","0.2","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Cu Hg I2 N4 O4 -","- C22 H14 Cu Hg I2 N4 O4 -","- C88 H56 Cu4 Hg4 I8 N16 O16 -","4","0.5","","Chen, Chun-Long; Ellsworth, Joseph M.; Goforth, Andrea M.; Smith, Mark D.; Su, Cheng-Yong; Zur Loye, Hans-Conrad","A new 2-carboxylate-substituted 4,4'-bipyridine ligand: coordination chemistry of 4,4'-bipyridine-2-carboxylic acid and its synthetic intermediate 2-methyl-4,4'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5278","5286","10.1039/b606280f","","","0.71073","MoKα","","0.0353","0.031","","","0.0782","0.0806","","","","","","1.083","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007491","16.6463","0.0016","10.6223","0.001","23.15","0.002","90","","100.273","0.002","90","","4027.8","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H43 Br3 N4 Ni2 O11 -","- C38 H43 Br3 N4 Ni2 O11 -","- C152 H172 Br12 N16 Ni8 O44 -","4","1","","Fondo, Matilde; García-Deibe, Ana M; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Llamas-Saiz, Antonio L","Dinuclear nickel complexes with a Ni(2)O(2) core: a structural and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4260","4270","10.1039/b606414k","","","0.71073","MoKα","","0.1052","0.0504","","","0.0983","0.1125","","","","","","0.95","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007492","11.569","0.003","20.834","0.005","14.508","0.003","90","","112.486","0.003","90","","3231","1.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 N4 Ni2 O7 -","- C33 H40 N4 Ni2 O7 -","- C132 H160 N16 Ni8 O28 -","4","1","","Fondo, Matilde; García-Deibe, Ana M; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Llamas-Saiz, Antonio L","Dinuclear nickel complexes with a Ni(2)O(2) core: a structural and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4260","4270","10.1039/b606414k","","","0.71073","MoKα","","0.0668","0.0401","","","0.0904","0.0988","","","","","","1.067","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007493","20.515","0.005","14.726","0.005","24.311","0.005","90","","90","","90","","7344","3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H38 Br3 N4 Ni2 O7.5 -","- C33 H38 Br3 N4 Ni2 O7.5 -","- C264 H304 Br24 N32 Ni16 O60 -","8","1","","Fondo, Matilde; García-Deibe, Ana M; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Llamas-Saiz, Antonio L","Dinuclear nickel complexes with a Ni(2)O(2) core: a structural and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4260","4270","10.1039/b606414k","","","0.71073","MoKα","","0.0809","0.0767","","","0.2122","0.2173","","","","","","1.101","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007494","15.899","0.002","11.4993","0.0017","19.048","0.003","90","","108.36","0.01","90","","3305.2","0.8","120","0.1","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 N4 Ni11 O9 -","- C36 H38 N4 Ni2 O9 -","- C144 H152 N16 Ni8 O36 -","4","1","","Fondo, Matilde; García-Deibe, Ana M; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Llamas-Saiz, Antonio L","Dinuclear nickel complexes with a Ni(2)O(2) core: a structural and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4260","4270","10.1039/b606414k","","","0.71073","MoKα","","0.0599","0.0337","","","0.0666","0.077","","","","","","1.071","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007495","44.353","0.005","8.85","0.005","19.517","0.005","90","0.005","112.433","0.005","90","0.005","7081","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.25 H41 N5 Ni2 O10.75 -","- C32.25 H40 N5 Ni2 O10.75 -","- C258 H320 N40 Ni16 O86 -","8","1","","Fondo, Matilde; García-Deibe, Ana M; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Llamas-Saiz, Antonio L","Dinuclear nickel complexes with a Ni(2)O(2) core: a structural and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4260","4270","10.1039/b606414k","","","0.71073","MoKα","","0.0921","0.0563","","","0.1338","0.152","","","","","","1.014","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007496","12.407","0.004","16.606","0.006","24.071","0.009","90","","101.85","0.03","90","","4854","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H74 Eu N23 O25 P4 -","- C14 H70 Eu N23 O25 P4 -","- C56 H280 Eu4 N92 O100 P16 -","4","1","","Mondry, Anna; Janicki, Rafał","From structural properties of the EuIII complex with ethylenediaminetetra(methylenephosphonic acid) (H8EDTMP) towards biomedical applications.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4702","4710","10.1039/b606420e","","","0.71073","MoKα","","0.0618","0.0336","","","0.0617","0.066","","","","","","0.935","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007497","11.269","0.005","8.646","0.004","18.718","0.009","90","","90.07","0.04","90","","1823.7","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 Eu N5 O11 -","- C11 H24 Eu N5 O11 -","- C44 H96 Eu4 N20 O44 -","4","1","","Mondry, Anna; Janicki, Rafał","From structural properties of the EuIII complex with ethylenediaminetetra(methylenephosphonic acid) (H8EDTMP) towards biomedical applications.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4702","4710","10.1039/b606420e","","","0.71073","MoKα","","0.0234","0.0211","","","0.0552","0.0565","","","","","","0.989","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007498","12.83","0.004","10.858","0.003","17.007","0.005","90","","102.255","0.004","90","","2315.2","1.2","153.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cu N2 O2 -","- C24 H32 Cu N2 O2 -","- C96 H128 Cu4 N8 O8 -","4","1","","Sah, Ajay K.; Tanase, Tomoaki","Amine mediated proton transfer reaction and C-Cl bond activation of solvent chloroform by a trinuclear copper(II) complex of a glucopyranosylamine derived ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3742","3751","10.1039/b606485j","","","0.7107","MoKα","","","0.09","","","","0.106","","","","","","1.603","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007499","14.0065","0.001","11.6044","0.0011","8.5136","0.0005","90","","90","","90","","1383.78","0.18","153.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H25 Cl2 Cu N5 -","- C5 H25 Cl2 Cu N5 -","- C20 H100 Cl8 Cu4 N20 -","4","0.5","","Sah, Ajay K.; Tanase, Tomoaki","Amine mediated proton transfer reaction and C-Cl bond activation of solvent chloroform by a trinuclear copper(II) complex of a glucopyranosylamine derived ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3742","3751","10.1039/b606485j","","","0.7107","MoKα","","","0.037","","","","0.048","","","","","","0.735","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007500","8.0925","0.0005","12.2513","0.0011","14.9817","0.0011","91.958","0.004","98.528","0.003","96.609","0.004","1457.17","0.19","153.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C47 H79 Cl3 Cu3 N4 O16 -","- C47 H79 Cl3 Cu3 N4 O16 -","- C47 H79 Cl3 Cu3 N4 O16 -","1","1","","Sah, Ajay K.; Tanase, Tomoaki","Amine mediated proton transfer reaction and C-Cl bond activation of solvent chloroform by a trinuclear copper(II) complex of a glucopyranosylamine derived ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3742","3751","10.1039/b606485j","","","0.7107","MoKα","","","0.0448","","","","0.107","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007501","10.668","0.008","8.306","0.006","9.478","0.007","90","","122.187","0.002","90","","710.8","0.9","153.2","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H26 Cl2 Cu N4 O -","- C8 H24 Cl2 Cu N4 O -","- C16 H48 Cl4 Cu2 N8 O2 -","2","0.5","","Sah, Ajay K.; Tanase, Tomoaki","Amine mediated proton transfer reaction and C-Cl bond activation of solvent chloroform by a trinuclear copper(II) complex of a glucopyranosylamine derived ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3742","3751","10.1039/b606485j","","","0.7107","MoKα","","","0.0752","","","","0.1484","","","","","","1.121","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007502","6.612","0.004","12.23","0.006","14.089","0.007","77.465","0.01","82.337","0.014","88.386","0.016","1102.2","1","153.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C21 H32 Cu N2 O6 -","- C21 H32 Cu N2 O6 -","- C42 H64 Cu2 N4 O12 -","2","2","","Sah, Ajay K.; Tanase, Tomoaki","Amine mediated proton transfer reaction and C-Cl bond activation of solvent chloroform by a trinuclear copper(II) complex of a glucopyranosylamine derived ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3742","3751","10.1039/b606485j","","","0.7107","MoKα","","","0.0728","","","","0.1926","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007503","37.5224","0.0017","15.0477","0.0007","20.4243","0.0009","90","","117.623","0.001","90","","10217.6","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H134 Cu4 N6 O19.5 -","- C102 H128 Cu4 N6 O19.5 -","- C408 H512 Cu16 N24 O78 -","4","0.5","","Clegg, Jack K.; Gloe, Karsten; Hayter, Michael J.; Kataeva, Olga; Lindoy, Leonard F.; Moubaraki, Boujemaa; McMurtrie, John C.; Murray, Keith S.; Schilter, David","New discrete and polymeric supramolecular architectures derived from dinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","33","3977","3984","10.1039/b606523f","","","0.71073","MoKα","","0.0891","0.0551","","","0.1487","0.1769","","","","","","1.023","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007504","37.3901","0.0019","15.718","0.0008","20.6842","0.0011","90","","118.923","0.001","90","","10639.8","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104.8 H147.2 Cu4 N4 O20 -","- C104.8 H145.6 Cu4 N4 O20 -","- C419.2 H582.4 Cu16 N16 O80 -","4","0.5","","Clegg, Jack K.; Gloe, Karsten; Hayter, Michael J.; Kataeva, Olga; Lindoy, Leonard F.; Moubaraki, Boujemaa; McMurtrie, John C.; Murray, Keith S.; Schilter, David","New discrete and polymeric supramolecular architectures derived from dinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","33","3977","3984","10.1039/b606523f","","","0.71073","MoKα","","0.0826","0.0607","","","0.1685","0.19","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007505","9.856","0.001","10.702","0.0009","14.693","0.001","96.408","0.009","90.624","0.008","115.561","0.006","1386.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Cu2 N6 O8 -","- C60 H66 Cu2 N6 O8 -","- C60 H66 Cu2 N6 O8 -","1","0.5","","Clegg, Jack K.; Gloe, Karsten; Hayter, Michael J.; Kataeva, Olga; Lindoy, Leonard F.; Moubaraki, Boujemaa; McMurtrie, John C.; Murray, Keith S.; Schilter, David","New discrete and polymeric supramolecular architectures derived from dinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","33","3977","3984","10.1039/b606523f","","","0.71073","MoKα","","0.0413","0.0321","","","0.0803","0.0855","","","","","","1.054","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007506","10.419","0.0009","15.5925","0.0014","18.4105","0.0016","99.271","0.001","102.7","0.001","90.104","0.001","2877.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 Cu2 N2 O10 S -","- C58 H72 Cu2 N2 O10 S -","- C116 H144 Cu4 N4 O20 S2 -","2","1","","Clegg, Jack K.; Gloe, Karsten; Hayter, Michael J.; Kataeva, Olga; Lindoy, Leonard F.; Moubaraki, Boujemaa; McMurtrie, John C.; Murray, Keith S.; Schilter, David","New discrete and polymeric supramolecular architectures derived from dinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","33","3977","3984","10.1039/b606523f","","","0.71073","MoKα","","0.1116","0.0668","","","0.1694","0.1988","","","","","","1.032","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007507","18.638","0.0005","18.638","0.0005","11.5817","0.0006","90","","90","","120","","3484.2","0.2","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C66 H84 Cu3 N4 O12 -","- C66 H84 Cu3 N4 O12 -","- C132 H168 Cu6 N8 O24 -","2","0.333333","","Clegg, Jack K.; Gloe, Karsten; Hayter, Michael J.; Kataeva, Olga; Lindoy, Leonard F.; Moubaraki, Boujemaa; McMurtrie, John C.; Murray, Keith S.; Schilter, David","New discrete and polymeric supramolecular architectures derived from dinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","33","3977","3984","10.1039/b606523f","","","0.71073","MoKα","","0.056","0.0451","","","0.1632","0.1707","","","","","","1.236","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007508","10.285","0.001","11.104","0.002","15.772","0.002","90.096","0.002","100.647","0.002","100.187","0.002","1741.2","0.4","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C66.8 H87.6 Cu2 N4 O10.2 -","- C66.8 H87.6 Cu2 N4 O10.2 -","- C66.8 H87.6 Cu2 N4 O10.2 -","1","1","","Clegg, Jack K.; Gloe, Karsten; Hayter, Michael J.; Kataeva, Olga; Lindoy, Leonard F.; Moubaraki, Boujemaa; McMurtrie, John C.; Murray, Keith S.; Schilter, David","New discrete and polymeric supramolecular architectures derived from dinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","33","3977","3984","10.1039/b606523f","","","0.71073","MoKα","","0.0912","0.067","","","0.177","0.1971","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007509","12.576","0.003","19.155","0.004","20.483","0.004","112.34","0.03","99.04","0.03","90.96","0.03","4491","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H131 N4 P4 S2 Zn2 -","- C91 H131 N4 P4 S2 Zn2 -","- C182 H262 N8 P8 S4 Zn4 -","2","1","","Copsey, May C.; Chivers, Tristram","Zinc complexes of anionic NPPN and NP(S)PN ligands and rearrangement to the isomeric NPNP and NP(S)NP ligands in mercury complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4114","4123","10.1039/b606527a","","","0.71073","MoKα","","0.1191","0.0565","","","0.1228","0.1508","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007510","12.185","0.002","13.705","0.003","15.157","0.003","99.54","0.03","95.15","0.03","107.22","0.03","2358.2","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H124 Cl2 N4 P4 Zn2 -","- C98 H124 Cl2 N4 P4 Zn2 -","- C98 H124 Cl2 N4 P4 Zn2 -","1","0.5","","Copsey, May C.; Chivers, Tristram","Zinc complexes of anionic NPPN and NP(S)PN ligands and rearrangement to the isomeric NPNP and NP(S)NP ligands in mercury complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4114","4123","10.1039/b606527a","","","0.71073","MoKα","","0.0486","0.0336","","","0.0751","0.0809","","","","","","1.033","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007511","12.567","0.003","17.867","0.004","19.039","0.004","90","","94.43","0.03","90","","4262.1","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H62 N2 P2 Zn -","- C44 H62 N2 P2 Zn -","- C176 H248 N8 P8 Zn4 -","4","1","","Copsey, May C.; Chivers, Tristram","Zinc complexes of anionic NPPN and NP(S)PN ligands and rearrangement to the isomeric NPNP and NP(S)NP ligands in mercury complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4114","4123","10.1039/b606527a","","","0.71073","MoKα","","0.0795","0.0461","","","0.0947","0.1093","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007512","56.751","0.011","13.295","0.003","21.809","0.004","90","","102.31","0.03","90","","16077","6","173","2","446","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H120 Hg N4 P4 -","- C86 H120 Hg N4 P4 -","- C688 H960 Hg8 N32 P32 -","8","1","","Copsey, May C.; Chivers, Tristram","Zinc complexes of anionic NPPN and NP(S)PN ligands and rearrangement to the isomeric NPNP and NP(S)NP ligands in mercury complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4114","4123","10.1039/b606527a","","","0.71073","MoKα","","0.0752","0.0471","","","0.1168","0.1465","","","","","","1.12","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007513","12.078","0.002","19.367","0.004","19.128","0.004","90","","101.09","0.03","90","","4390.8","1.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H63 Li N2 O P2 S -","- C44 H63 Li N2 O P2 S -","- C176 H252 Li4 N8 O4 P8 S4 -","4","1","","Copsey, May C.; Chivers, Tristram","Zinc complexes of anionic NPPN and NP(S)PN ligands and rearrangement to the isomeric NPNP and NP(S)NP ligands in mercury complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4114","4123","10.1039/b606527a","","","0.71073","MoKα","","0.0964","0.0492","","","0.103","0.1203","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007514","48.827","0.01","17.09","0.003","24.266","0.005","90","","115.03","0.03","90","","18347","8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H106 Hg N4 P4 S2 -","- C80 H106 Hg N4 P4 S2 -","- C640 H848 Hg8 N32 P32 S16 -","8","1","","Copsey, May C.; Chivers, Tristram","Zinc complexes of anionic NPPN and NP(S)PN ligands and rearrangement to the isomeric NPNP and NP(S)NP ligands in mercury complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4114","4123","10.1039/b606527a","","","0.71073","MoKα","","0.0729","0.056","","","0.1607","0.1695","","","","","","1.11","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007515","8.083","0.002","7.83","0.002","18.94","0.004","90","","94.74","0.03","90","","1194.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","catena-((mu!3$-Acetylacetonato-O,O,O',O')-(mu!2$- acetylacetonato-O,O,O')-lead(ii))","catena-((μ~3~-Acetylacetonato-O,O,O',O')-(μ~2~-acetylacetonato-O,O,O')- lead(II))","","- C10 H14 O4 Pb -","- C10 H14 O4 Pb -","- C40 H56 O16 Pb4 -","4","1","","Lyczko, Krzysztof; Narbutt, Jerzy; Paluchowska, Beata; Maurin, Jan K.; Persson, Ingmar","Crystal structure of lead(II) acetylacetonate and the structure of the acetylacetone solvated lead(II) ion in solution studied by large-angle X-ray scattering.","Dalton transactions (Cambridge, England : 2003)","2006","","33","3972","3976","10.1039/b606543k","","","0.71073","MoKα","","0.1337","0.055","","","0.1416","0.1723","","","","","","1.014","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007516","9.3219","0.0009","22.8707","0.0016","22.4947","0.0017","90","","96.75","0.007","90","","4762.6","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 Br2 Fe2 O5 P2 S2 -","- C47 H42 Br2 Fe2 O5 P2 S2 -","- C188 H168 Br8 Fe8 O20 P8 S8 -","4","1","","Ekström, Jesper; Abrahamsson, Maria; Olson, Carol; Bergquist, Jonas; Kaynak, Filiz B.; Eriksson, Lars; Sun, Licheng; Becker, Hans-Christian; Akermark, Björn; Hammarström, Leif; Ott, Sascha","Bio-inspired, side-on attachment of a ruthenium photosensitizer to an iron hydrogenase active site model.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4599","4606","10.1039/b606659c","","","0.71073","MoKα","","0.3178","0.0678","","","0.1624","0.2224","","","","","","0.745","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007517","13.001","0.013","8.539","0.005","14.994","0.01","90.09","0.05","92.35","0.07","90.09","0.06","1663","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H29 Fe2 O5 P S2 Si -","- C31 H29 Fe2 O5 P S2 Si -","- C62 H58 Fe4 O10 P2 S4 Si2 -","2","1","","Ekström, Jesper; Abrahamsson, Maria; Olson, Carol; Bergquist, Jonas; Kaynak, Filiz B.; Eriksson, Lars; Sun, Licheng; Becker, Hans-Christian; Akermark, Björn; Hammarström, Leif; Ott, Sascha","Bio-inspired, side-on attachment of a ruthenium photosensitizer to an iron hydrogenase active site model.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4599","4606","10.1039/b606659c","","","0.71073","MoKα","","0.2356","0.1015","","","0.2732","0.3295","","","","","","0.935","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007518","7.567","0.0005","8.342","0.0006","16.513","0.0012","97.557","0.001","91.157","0.001","113.354","0.001","945.66","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H56 N4 S8 Zn2 -","- C28 H56 N4 S8 Zn2 -","- C28 H56 N4 S8 Zn2 -","1","0.5","","Memon, Ashfaq A.; Afzaal, Mohammad; Malik, Mohammad A.; Nguyen, Chinh Q.; O'Brien, Paul; Raftery, Jim","The N-alkyldithiocarbamato complexes [M(S2CNHR)2] (M=Cd(II) Zn(II); R=C2H5, C4H9, C6H13, C12H25); their synthesis, thermal decomposition and use to prepare of nanoparticles and nanorods of CdS.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4499","4505","10.1039/B606661E","","","0.71073","MoKα","","0.0298","0.0248","","","0.0643","0.0749","","","","","","1.163","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007519","12.0273","0.0015","20.111","0.002","17.171","0.002","90","","102.398","0.002","90","","4056.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Cd2 N8 O8 S2 -","- C40 H40 Cd2 N8 O8 S2 -","- C160 H160 Cd8 N32 O32 S8 -","4","1","","Memon, Ashfaq A.; Afzaal, Mohammad; Malik, Mohammad A.; Nguyen, Chinh Q.; O'Brien, Paul; Raftery, Jim","The N-alkyldithiocarbamato complexes [M(S2CNHR)2] (M=Cd(II) Zn(II); R=C2H5, C4H9, C6H13, C12H25); their synthesis, thermal decomposition and use to prepare of nanoparticles and nanorods of CdS.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4499","4505","10.1039/B606661E","","","0.71073","MoKα","","0.0957","0.0383","","","0.0623","0.0738","","","","","","0.724","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007520","12.8209","0.0009","9.459","0.0007","16.8494","0.0012","90","","108.977","0.001","90","","1932.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Cd N3 O7 S -","- C15 H21 Cd N3 O7 S -","- C60 H84 Cd4 N12 O28 S4 -","4","1","","Memon, Ashfaq A.; Afzaal, Mohammad; Malik, Mohammad A.; Nguyen, Chinh Q.; O'Brien, Paul; Raftery, Jim","The N-alkyldithiocarbamato complexes [M(S2CNHR)2] (M=Cd(II) Zn(II); R=C2H5, C4H9, C6H13, C12H25); their synthesis, thermal decomposition and use to prepare of nanoparticles and nanorods of CdS.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4499","4505","10.1039/B606661E","","","0.71073","MoKα","","0.0265","0.022","","","0.0537","0.0563","","","","","","1.044","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007521","18.6823","0.0008","18.6823","0.0008","25.475","0.002","90","","90","","120","","7700.3","0.8","173","2","173","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C82 H90 Cl2 N4 Ni O11 -","- C82 H76 Cl2 N4 Ni O11 -","- C246 H228 Cl6 N12 Ni3 O33 -","3","0.5","","Wu, Chuan-De; Lin, Wenbin","Homochiral porous solids based on 1D coordination polymers built from 46-membered macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4563","4569","10.1039/b606817k","","","0.71073","MoKα","","","0.1121","","","0.2633","0.2933","","","","","","1.028","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007522","18.6113","0.0008","32.2357","0.0008","38.176","0.002","90","","90","","90","","22903.6","1.7","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C171 H189 Cl4 Cu2 N9 O36 -","- C177 H140 Cl4 Cu2 N10.5 O38.5 -","- C708 H560 Cl16 Cu8 N42 O154 -","4","0.5","","Wu, Chuan-De; Lin, Wenbin","Homochiral porous solids based on 1D coordination polymers built from 46-membered macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4563","4569","10.1039/b606817k","","","0.71073","MoKα","","0.2149","0.1435","","","0.278","0.3087","","","","","","1.051","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007523","32.153","0.001","16.217","0.001","21.2146","0.0009","90","","118.535","0.007","90","","9718.1","1","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C84 H102 Cu N8 O22 -","- C84 H79 Cu N8 O22 -","- C336 H316 Cu4 N32 O88 -","4","1","","Wu, Chuan-De; Lin, Wenbin","Homochiral porous solids based on 1D coordination polymers built from 46-membered macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4563","4569","10.1039/b606817k","","","0.71073","MoKα","","","0.0976","","","0.2461","0.2703","","","","","","1.04","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007524","42","0.13","12.93","0.03","19.36","0.05","90","","104.8","0.06","90","","10165","5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C83.5 H90.5 Cd Cl2 N5.5 O18.5 -","- C84 H71 Cd Cl2 N5.5 O18.5 -","- C336 H284 Cd4 Cl8 N22 O74 -","4","1","","Wu, Chuan-De; Lin, Wenbin","Homochiral porous solids based on 1D coordination polymers built from 46-membered macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4563","4569","10.1039/b606817k","","","0.71073","MoKα","","","0.1055","","","0.242","0.2625","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007525","42.576","0.001","12.605","0.001","19.2306","0.0005","90","","104.695","0.002","90","","9982.9","0.9","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C84.5 H90.5 Cl2 Co N7.5 O18.5 -","- C83.5 H65.5 Cl2 Co N7 O18.5 -","- C334 H262 Cl8 Co4 N28 O74 -","4","1","","Wu, Chuan-De; Lin, Wenbin","Homochiral porous solids based on 1D coordination polymers built from 46-membered macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4563","4569","10.1039/b606817k","","","0.71073","MoKα","","","0.1254","","","0.2664","0.2922","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007526","41.7484","0.0012","12.4528","0.0004","19.8531","0.0005","90","","106.09","0.002","90","","9917","0.5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C84.5 H90 Cl2 Mn N7 O18 -","- C83.5 H67 Cl2 Mn N6.5 O17 -","- C334 H268 Cl8 Mn4 N26 O68 -","4","1","","Wu, Chuan-De; Lin, Wenbin","Homochiral porous solids based on 1D coordination polymers built from 46-membered macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4563","4569","10.1039/b606817k","","","0.71073","MoKα","","","0.1362","","","0.2852","0.3294","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007527","9.2786","0.0003","16.3421","0.0004","34.6797","0.0006","90","","90","","90","","5258.5","0.2","293","2","293","2","","","","","","","Synthesis. Crystallization from a hexane solution of the complex at low temperature","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N2 O9 Ru3 S -","- C21 H16 N2 O9 Ru3 S -","- C168 H128 N16 O72 Ru24 S8 -","8","2","","Cabeza, Javier A.; da Silva, Iván; del Río, Ignacio; Sánchez-Vega, M Gabriela","Triruthenium and triosmium carbonyl clusters containing chiral bidentate NHC-thiolate ligands derived from levamisole.","Dalton transactions (Cambridge, England : 2003)","2006","","33","3966","3971","10.1039/b606869c","","","1.5418","CuKα","","0.0485","0.0352","","","0.067","0.0725","","","","","","1.017","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007528","15.7355","0.0012","10.9021","0.0008","13.2088","0.0011","90","","103.836","0.003","90","","2200.2","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Ga N2 O3 -","- C26 H21 Ga N2 O3 -","- C104 H84 Ga4 N8 O12 -","4","1","","Crispini, Alessandra; Aiello, Iolinda; La Deda, Massimo; De Franco, Irene; Amati, Mario; Lelj, Francesco; Ghedini, Mauro","Experimental and computational evidence of the intermolecular motifs in the crystal packing of luminescent pentacoordinated gallium(iii) complexes","Dalton Transactions","2006","","43","5124","","10.1039/b606895b","","","0.71073","MoKα","","0.0544","0.0361","","","0.0932","0.1052","","","","","","1.026","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007529","9.199","0.002","9.67","0.002","15.109","0.003","106.774","0.004","91.538","0.004","114.381","0.003","1155.5","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 Ga N3 O3 -","- C27 H20 Ga N3 O3 -","- C54 H40 Ga2 N6 O6 -","2","1","","Crispini, Alessandra; Aiello, Iolinda; La Deda, Massimo; De Franco, Irene; Amati, Mario; Lelj, Francesco; Ghedini, Mauro","Experimental and computational evidence of the intermolecular motifs in the crystal packing of luminescent pentacoordinated gallium(iii) complexes","Dalton Transactions","2006","","43","5124","","10.1039/b606895b","","","0.71073","MoKα","","0.0291","0.0269","","","0.0762","0.0798","","","","","","1.109","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007530","9.0766","0.0018","9.4098","0.0019","15.134","0.003","105.23","0.03","92.54","0.03","113.09","0.03","1131.4","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Ga N3 O5 -","- C26 H20 Ga N3 O5 -","- C52 H40 Ga2 N6 O10 -","2","1","","Crispini, Alessandra; Aiello, Iolinda; La Deda, Massimo; De Franco, Irene; Amati, Mario; Lelj, Francesco; Ghedini, Mauro","Experimental and computational evidence of the intermolecular motifs in the crystal packing of luminescent pentacoordinated gallium(iii) complexes","Dalton Transactions","2006","","43","5124","","10.1039/b606895b","","","0.71073","MoKα","","0.0603","0.045","","","0.1083","0.1124","","","","","","1.035","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007531","12.5354","0.0006","18.9293","0.0009","21.5454","0.001","107.78","0.002","101.753","0.002","97.315","0.002","4666.6","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- H31 K9 Ni O85.5 Si2 W20 -","- K9 Ni O85.5 Si2 W20 -","- K18 Ni2 O171 Si4 W40 -","2","1","","Bassil, Bassem S.; Dickman, Michael H.; Reicke, Markus; Kortz, Ulrich; Keita, Bineta; Nadjo, Louis","Transition metal containing decatungstosilicate dimer [M(H(2)O)(2)(gamma-SiW(10)O(35))(2)](10-) (M = Mn(2+), Co(2+), Ni(2+)).","Dalton transactions (Cambridge, England : 2003)","2006","","35","4253","4259","10.1039/b606911h","","","0.71073","MoKα","","0.1187","0.0675","","","0.1854","0.2179","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007532","18.907","0.003","22.688","0.003","24.795","0.004","63.048","0.003","79.31","0.003","71.193","0.003","8965","2","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- Co H38 K10 O81.5 Si2 W20 -","- Co K10 O81.5 Si2 W20 -","- Co4 K40 O326 Si8 W80 -","4","2","","Bassil, Bassem S.; Dickman, Michael H.; Reicke, Markus; Kortz, Ulrich; Keita, Bineta; Nadjo, Louis","Transition metal containing decatungstosilicate dimer [M(H(2)O)(2)(gamma-SiW(10)O(35))(2)](10-) (M = Mn(2+), Co(2+), Ni(2+)).","Dalton transactions (Cambridge, England : 2003)","2006","","35","4253","4259","10.1039/b606911h","","","0.71073","MoKα","","0.1561","0.0793","","","0.2216","0.2752","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007533","12.5742","0.0012","18.9403","0.0016","21.464","0.003","107.577","0.004","101.054","0.004","97.035","0.004","4693.1","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- H20.5 K9.5 Mn O80.25 Si2 W20 -","- K9.5 Mn O80.25 Si2 W20 -","- K19 Mn2 O160.5 Si4 W40 -","2","1","","Bassil, Bassem S.; Dickman, Michael H.; Reicke, Markus; Kortz, Ulrich; Keita, Bineta; Nadjo, Louis","Transition metal containing decatungstosilicate dimer [M(H(2)O)(2)(gamma-SiW(10)O(35))(2)](10-) (M = Mn(2+), Co(2+), Ni(2+)).","Dalton transactions (Cambridge, England : 2003)","2006","","35","4253","4259","10.1039/b606911h","","","0.71073","MoKα","","0.1151","0.0913","","","0.2378","0.2556","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007534","9.71","0.0019","10.579","0.002","13.361","0.003","77.41","0.03","88.78","0.03","88.16","0.03","1338.6","0.5","99","2","99","2","","","","","","","","5","P -1","-P 1","2","Europium 3-Nitrobenzoate","","","- C24 H23 Eu N3 O15 -","- C24 H20 Eu N3 O15 -","- C48 H40 Eu2 N6 O30 -","2","1","","de Bettencourt-Dias, Ana; Viswanathan, Subha","Nitro-functionalization and luminescence quantum yield of Eu(III) and Tb(III) benzoic acid complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4093","4103","10.1039/b606970c","","","0.71073","MoKα","","0.0317","0.0292","","","0.0763","0.0778","","","","","","1.071","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007535","9.2242","0.0018","15.102","0.003","18.587","0.004","75.93","0.03","82.88","0.03","79","0.03","2457.2","1","97","2","97","2","","","","","","","","5","P -1","-P 1","2","Europium 4-Nitrobenzoate","","","- C42 H34 Eu2 N6 O29 -","- C42 H24 Eu2 N6 O29 -","- C84 H48 Eu4 N12 O58 -","2","1","","de Bettencourt-Dias, Ana; Viswanathan, Subha","Nitro-functionalization and luminescence quantum yield of Eu(III) and Tb(III) benzoic acid complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4093","4103","10.1039/b606970c","","","0.71073","MoKα","","0.05","0.039","","","0.0819","0.0855","","","","","","1.059","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007536","9.2692","0.0019","15.369","0.003","18.353","0.004","75.37","0.03","81.32","0.03","78.15","0.03","2462.3","1","96","2","96","2","","","","","","","","5","P -1","-P 1","2","Terbium 4-Nitrobenzoate","","","- C42 H34 N6 O29 Tb2 -","- C42 H24 N6 O29 Tb2 -","- C84 H48 N12 O58 Tb4 -","2","1","","de Bettencourt-Dias, Ana; Viswanathan, Subha","Nitro-functionalization and luminescence quantum yield of Eu(III) and Tb(III) benzoic acid complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4093","4103","10.1039/b606970c","","","0.71073","MoKα","","0.036","0.0309","","","0.0724","0.0748","","","","","","1.041","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007537","12.385","0.003","12.912","0.003","17.889","0.004","97.49","0.03","109.64","0.03","101.99","0.03","2572.5","1.3","95","2","95","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 Eu2 N6 O28 -","- C46 H36 Eu2 N6 O28 -","- C92 H72 Eu4 N12 O56 -","2","1","","de Bettencourt-Dias, Ana; Viswanathan, Subha","Nitro-functionalization and luminescence quantum yield of Eu(III) and Tb(III) benzoic acid complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4093","4103","10.1039/b606970c","","","0.71073","MoKα","","0.0859","0.0558","","","0.1204","0.1342","","","","","","1.017","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007538","6.9385","0.0002","9.7324","0.0003","11.6406","0.0005","100.668","0.002","97.312","0.002","110.388","0.002","708.23","0.04","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- B17 H17 S2 -","- B17 H17 S2 -","- B34 H34 S4 -","2","1","","Carr, Michael J.; Londesborough, Michael G. S.; Hamilton Mcleod, Alexander R.; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. Metallathiaboranes from S2B17H17: isolation and characterisation of [(eta6-MeC6H4isoPr)RuS2B16H16] and [(eta6-MeC6H4isoPr)RuS2B15H15].","Dalton transactions (Cambridge, England : 2003)","2006","","30","3624","3626","10.1039/b607084c","","","0.71073","MoKα","","0.0631","0.045","","","0.1111","0.1205","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007539","10.0903","0.0002","14.9157","0.0002","15.945","0.0003","90","","110.7","0.006","90","","2244.86","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H30 B16 Ru S2 -","- C10 H30 B16 Ru S2 -","- C40 H120 B64 Ru4 S8 -","4","1","","Carr, Michael J.; Londesborough, Michael G. S.; Hamilton Mcleod, Alexander R.; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. Metallathiaboranes from S2B17H17: isolation and characterisation of [(eta6-MeC6H4isoPr)RuS2B16H16] and [(eta6-MeC6H4isoPr)RuS2B15H15].","Dalton transactions (Cambridge, England : 2003)","2006","","30","3624","3626","10.1039/b607084c","","","0.71073","MoKα","","0.0426","0.0361","","","0.09","0.0941","","","","","","1.045","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007540","9.9449","0.0004","12.3399","0.0004","18.376","0.0007","90","","104.232","0.002","90","","2185.87","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H29 B15 Ru S2 -","- C10 H29 B15 Ru S2 -","- C40 H116 B60 Ru4 S8 -","4","1","","Carr, Michael J.; Londesborough, Michael G. S.; Hamilton Mcleod, Alexander R.; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. Metallathiaboranes from S2B17H17: isolation and characterisation of [(eta6-MeC6H4isoPr)RuS2B16H16] and [(eta6-MeC6H4isoPr)RuS2B15H15].","Dalton transactions (Cambridge, England : 2003)","2006","","30","3624","3626","10.1039/b607084c","","","0.71073","MoKα","","0.0811","0.0433","","","0.0937","0.1072","","","","","","0.998","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007541","8.8157","0.001","16.3175","0.0009","14.3685","0.0012","90","","97.294","0.008","90","","2050.2","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Br2 N4 Ni -","- C18 H22 Br2 N4 Ni -","- C72 H88 Br8 N16 Ni4 -","4","1","","Sánchez-Méndez, Alberto; Benito, Jose María; de Jesús, Ernesto; de la Mata, F. Javier; Flores, Juan C.; Gómez, Rafael; Gómez-Sal, Pilar","Synthesis and 1H NMR studies of paramagnetic nickel(II) complexes containing bis(pyrazolyl)methane ligands with dendritic substituents.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5379","5389","10.1039/b607090f","","x-ray","0.71073","MoKα","","0.1451","0.0641","","","0.1049","0.1252","","","","","","0.973","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007542","10.1776","0.0015","13.712","0.002","9.5","0.0014","90","","90.516","0.002","90","","1325.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","04265n","","","- C8 H20 Cl2 Ga N3 -","- C8 H20 Cl2 Ga N3 -","- C32 H80 Cl8 Ga4 N12 -","4","1","","Luo, Bing; Kucera, Benjamin E.; Gladfelter, Wayne L.","Hydrido and chloro gallium and aluminium complexes with the tridentate bis(2-dimethylaminoethyl)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4491","4498","10.1039/b607164c","","","0.71073","MoKα","","0.0416","0.0359","","","0.0836","0.0866","","","","","","1.023","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007543","10.9945","0.0008","11.7842","0.0009","9.3014","0.0007","90","","90","","90","","1205.1","0.16","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","04264","","","- C8 H22 Al N3 -","- C8 H22 Al N3 -","- C32 H88 Al4 N12 -","4","0.5","","Luo, Bing; Kucera, Benjamin E.; Gladfelter, Wayne L.","Hydrido and chloro gallium and aluminium complexes with the tridentate bis(2-dimethylaminoethyl)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4491","4498","10.1039/b607164c","","","0.71073","MoKα","","0.0396","0.0369","","","0.1037","0.1057","","","","","","1.024","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007544","6.2051","0.0007","12.9197","0.0014","17.4921","0.0019","90","","90","","90","","1402.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05261","","","- C8 H25 Al2 N3 -","- C8 H25 Al2 N3 -","- C32 H100 Al8 N12 -","4","1","","Luo, Bing; Kucera, Benjamin E.; Gladfelter, Wayne L.","Hydrido and chloro gallium and aluminium complexes with the tridentate bis(2-dimethylaminoethyl)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4491","4498","10.1039/b607164c","","","0.71073","MoKα","","0.0306","0.0278","","","0.0718","0.0736","","","","","","1.012","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007545","6.2256","0.0008","12.9136","0.0015","17.444","0.002","90","","90","","90","","1402.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","05126","","","- C8 H25 Al0.84 Ga1.16 N3 -","- C8 H25 Al0.8435 Ga1.1565 N3 -","- C32 H100 Al3.374 Ga4.626 N12 -","4","1","","Luo, Bing; Kucera, Benjamin E.; Gladfelter, Wayne L.","Hydrido and chloro gallium and aluminium complexes with the tridentate bis(2-dimethylaminoethyl)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4491","4498","10.1039/b607164c","","","0.71073","MoKα","","0.0237","0.0204","","","0.0491","0.0505","","","","","","1.048","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007546","17.98","0.005","14","0.004","19.502","0.005","90","","90","","90","","4909","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H25 B10 Fe O3 Rh S2 -","- C15 H25 B10 Fe O3 Rh S2 -","- C120 H200 B80 Fe8 O24 Rh8 S16 -","8","1","","Cai, Shuyi; Hou, Xiu-Feng; Chen, Yin-Qiang; Jin, Guo-Xin","Synthesis and structure of heterometallic complexes (RhFe, CoFe) containing bridging 1,2-dicarba-closo-dodecarborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3736","3741","10.1039/b607195c","","","0.71073","MoKα","","0.077","0.0309","","","0.0485","0.0566","","","","","","0.805","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007547","18.114","0.005","13.98","0.004","19.704","0.005","90","","90","","90","","4990","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H25 B10 Fe O3 Rh Se2 -","- C15 H25 B10 Fe O3 Rh Se2 -","- C120 H200 B80 Fe8 O24 Rh8 Se16 -","8","1","","Cai, Shuyi; Hou, Xiu-Feng; Chen, Yin-Qiang; Jin, Guo-Xin","Synthesis and structure of heterometallic complexes (RhFe, CoFe) containing bridging 1,2-dicarba-closo-dodecarborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3736","3741","10.1039/b607195c","","","0.71073","MoKα","","0.1203","0.0354","","","0.0429","0.0518","","","","","","0.588","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007548","26.135","0.013","16.356","0.008","26.135","0.013","90","","90","","90","","11172","10","298","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C18 H31 B10 Fe O3 Rh S2 -","- C18 H31 B10 Fe O3 Rh S2 -","- C288 H496 B160 Fe16 O48 Rh16 S32 -","16","2","","Cai, Shuyi; Hou, Xiu-Feng; Chen, Yin-Qiang; Jin, Guo-Xin","Synthesis and structure of heterometallic complexes (RhFe, CoFe) containing bridging 1,2-dicarba-closo-dodecarborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3736","3741","10.1039/b607195c","","","0.71073","MoKα","","0.1139","0.0397","","","0.0548","0.0647","","","","","","0.662","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007549","17.965","0.007","14.114","0.005","19.098","0.007","90","","90","","90","","4842","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H25 B10 Co Fe O3 S2 -","- C15 H25 B10 Co Fe O3 S2 -","- C120 H200 B80 Co8 Fe8 O24 S16 -","8","1","","Cai, Shuyi; Hou, Xiu-Feng; Chen, Yin-Qiang; Jin, Guo-Xin","Synthesis and structure of heterometallic complexes (RhFe, CoFe) containing bridging 1,2-dicarba-closo-dodecarborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3736","3741","10.1039/b607195c","","","0.71073","MoKα","","0.093","0.0364","","","0.0596","0.0688","","","","","","0.779","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007550","9.314","0.006","10.717","0.007","19.45","0.012","90","","90","","90","","1941","2","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 B10 Co Fe O3 S2 -","- C10 H15 B10 Co Fe O3 S2 -","- C40 H60 B40 Co4 Fe4 O12 S8 -","4","1","","Cai, Shuyi; Hou, Xiu-Feng; Chen, Yin-Qiang; Jin, Guo-Xin","Synthesis and structure of heterometallic complexes (RhFe, CoFe) containing bridging 1,2-dicarba-closo-dodecarborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3736","3741","10.1039/b607195c","","","0.71073","MoKα","","0.0697","0.0411","","","0.062","0.0669","","","","","","0.816","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007551","20.8199","0.0016","16.9844","0.0013","14.2447","0.0011","90","","116.133","0.001","90","","4522.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H19 Cl Fe2 O5 -","- C22.5 H19 Cl Fe2 O5 -","- C180 H152 Cl8 Fe16 O40 -","8","1","","Zhang, Lei; Sun, Jie; Zhu, Huping; Xu, Qiang; Tsumori, Nobuko; Chen, Jiabi","Novel dimetal bridging carbene complexes derived from a terminal carbonyl dimetal compound. Syntheses, structures and reactivities of 7H-indene-coordinated diiron bridging carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4348","4358","10.1039/b607283f","","","0.71073","MoKα","","0.0788","0.0556","","","0.1424","0.1539","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007552","9.2338","0.0014","16.086","0.003","11.8502","0.0018","90","","97.343","0.003","90","","1745.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Fe2 O4 -","- C20 H14 Fe2 O4 -","- C80 H56 Fe8 O16 -","4","1","","Zhang, Lei; Sun, Jie; Zhu, Huping; Xu, Qiang; Tsumori, Nobuko; Chen, Jiabi","Novel dimetal bridging carbene complexes derived from a terminal carbonyl dimetal compound. Syntheses, structures and reactivities of 7H-indene-coordinated diiron bridging carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4348","4358","10.1039/b607283f","","","0.71073","MoKα","","0.1233","0.0565","","","0.0782","0.0947","","","","","","0.809","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007553","9.1797","0.001","9.5684","0.001","14.1755","0.0015","86.611","0.002","80.66","0.002","75.326","0.002","1188.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 Fe2 O4 S -","- C27 H20 Fe2 O4 S -","- C54 H40 Fe4 O8 S2 -","2","1","","Zhang, Lei; Sun, Jie; Zhu, Huping; Xu, Qiang; Tsumori, Nobuko; Chen, Jiabi","Novel dimetal bridging carbene complexes derived from a terminal carbonyl dimetal compound. Syntheses, structures and reactivities of 7H-indene-coordinated diiron bridging carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4348","4358","10.1039/b607283f","","","0.71073","MoKα","","0.1035","0.0503","","","0.0905","0.1068","","","","","","0.772","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007554","8.2775","0.0006","16.126","0.0011","20.0995","0.0014","90","","92.648","0.002","90","","2680.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H13 Fe2 N O9 W -","- C26 H13 Fe2 N O9 W -","- C104 H52 Fe8 N4 O36 W4 -","4","1","","Zhang, Lei; Sun, Jie; Zhu, Huping; Xu, Qiang; Tsumori, Nobuko; Chen, Jiabi","Novel dimetal bridging carbene complexes derived from a terminal carbonyl dimetal compound. Syntheses, structures and reactivities of 7H-indene-coordinated diiron bridging carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4348","4358","10.1039/b607283f","","","0.71073","MoKα","","0.0874","0.0608","","","0.125","0.1359","","","","","","0.987","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007555","30.716","0.003","7.2926","0.0006","21.0737","0.0018","90","","90","","90","","4720.5","0.7","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H13 Fe Mo N O7 -","- C24 H13 Fe Mo N O7 -","- C192 H104 Fe8 Mo8 N8 O56 -","8","2","","Zhang, Lei; Sun, Jie; Zhu, Huping; Xu, Qiang; Tsumori, Nobuko; Chen, Jiabi","Novel dimetal bridging carbene complexes derived from a terminal carbonyl dimetal compound. Syntheses, structures and reactivities of 7H-indene-coordinated diiron bridging carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4348","4358","10.1039/b607283f","","","0.71073","MoKα","","0.0891","0.0471","","","0.0749","0.0842","","","","","","0.843","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007556","8.1399","0.0007","10.3465","0.0009","17.0935","0.0015","86.069","0.002","80.494","0.002","89.464","0.002","1416.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cl2 Fe2 O6 -","- C30 H24 Cl2 Fe2 O6 -","- C60 H48 Cl4 Fe4 O12 -","2","1","","Zhang, Lei; Sun, Jie; Zhu, Huping; Xu, Qiang; Tsumori, Nobuko; Chen, Jiabi","Novel dimetal bridging carbene complexes derived from a terminal carbonyl dimetal compound. Syntheses, structures and reactivities of 7H-indene-coordinated diiron bridging carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4348","4358","10.1039/b607283f","","","0.71073","MoKα","","0.0833","0.0509","","","0.1069","0.1199","","","","","","0.771","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007557","11.512","0.001","13.15","0.001","17.638","0.001","75.17","0.01","79.09","0.01","72.49","0.01","2443.2","0.4","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Li4 Mo2 O26 -","- C38 H48 Li4 Mo2 O26 -","- C76 H96 Li8 Mo4 O52 -","2","1","","Albrecht, Markus; Baumert, Miriam; Klankermayer, Jürgen; Kogej, Michael; Schalley, Christoph A.; Fröhlich, Roland","Dicatechol cis-dioxomolybdenum(VI): a building block for a lithium cation templated monomer-dimer equilibrium.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4395","4400","10.1039/b607295j","","","0.71073","MoKα","","0.0608","0.042","","","0.1061","0.1154","","","","","","1.034","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007558","17.389","0.001","8.85","0.001","15.623","0.001","90","","90.76","0.01","90","","2404.1","0.3","198","2","198","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Li2 Mo N2 O10 -","- C20 H22 Li2 Mo N2 O10 -","- C80 H88 Li8 Mo4 N8 O40 -","4","0.5","","Albrecht, Markus; Baumert, Miriam; Klankermayer, Jürgen; Kogej, Michael; Schalley, Christoph A.; Fröhlich, Roland","Dicatechol cis-dioxomolybdenum(VI): a building block for a lithium cation templated monomer-dimer equilibrium.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4395","4400","10.1039/b607295j","","","0.71073","MoKα","","0.0341","0.0311","","","0.0804","0.0829","","","","","","1.039","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007559","9.366","0.001","12.826","0.001","16.219","0.001","85.79","0.01","73.76","0.01","75.38","0.01","1810","0.3","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H74 Li4 Mo4 N6 O32 -","- C58 H74 Li4 Mo4 N6 O32 -","- C58 H74 Li4 Mo4 N6 O32 -","1","0.5","","Albrecht, Markus; Baumert, Miriam; Klankermayer, Jürgen; Kogej, Michael; Schalley, Christoph A.; Fröhlich, Roland","Dicatechol cis-dioxomolybdenum(VI): a building block for a lithium cation templated monomer-dimer equilibrium.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4395","4400","10.1039/b607295j","","","0.71073","MoKα","","0.0381","0.033","","","0.0842","0.0878","","","","","","1.033","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007560","13.205","0.003","33.184","0.007","18.385","0.004","90","","102.98","0.03","90","","7850","3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H112 N6 O8 P6 -","- C79 H112 N6 O8 P6 -","- C316 H448 N24 O32 P24 -","4","1","","Dodds, Fay; García, Felipe; Kowenicki, Richard A.; Parsons, Simon P.; McPartlin, Mary; Wright, Dominic S.","Targeting large phosp(III)azane macrocyles [{P(mu-NR)}(2)(LL)](n) (n> or = 2).","Dalton transactions (Cambridge, England : 2003)","2006","","35","4235","4243","10.1039/b607332h","","","0.71073","MoKα","","0.0923","0.0759","","","0.1876","0.1975","","","","","","1.02","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007561","17.41","0.004","15.925","0.003","37.093","0.007","90","","100.04","0.03","90","","10127","4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 Li0 N6 O6 P6 -","- C42 H66 N6 O6 P6 -","- C336 H528 N48 O48 P48 -","8","2","","Dodds, Fay; García, Felipe; Kowenicki, Richard A.; Parsons, Simon P.; McPartlin, Mary; Wright, Dominic S.","Targeting large phosp(III)azane macrocyles [{P(mu-NR)}(2)(LL)](n) (n> or = 2).","Dalton transactions (Cambridge, England : 2003)","2006","","35","4235","4243","10.1039/b607332h","","","0.71073","MoKα","","0.198","0.1687","","","0.3619","0.3729","","","","","","1.132","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007562","17.832","0.004","13.419","0.003","23.479","0.005","90","","92.05","0.03","90","","5615","2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N8 O2 P4 -","- C54 H72 N8 O2 P4 -","- C216 H288 N32 O8 P16 -","4","1","","Dodds, Fay; García, Felipe; Kowenicki, Richard A.; Parsons, Simon P.; McPartlin, Mary; Wright, Dominic S.","Targeting large phosp(III)azane macrocyles [{P(mu-NR)}(2)(LL)](n) (n> or = 2).","Dalton transactions (Cambridge, England : 2003)","2006","","35","4235","4243","10.1039/b607332h","","","0.71073","MoKα","","0.1171","0.0629","","","0.1465","0.1645","","","","","","1.036","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007563","13.707","0.003","5.4813","0.0011","21.039","0.004","90","","91.74","0.03","90","","1580","0.6","180","2","180","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H22 Cl2 N2 P2 -","- C13 H22 Cl2 N2 P2 -","- C52 H88 Cl8 N8 P8 -","4","0.5","","Dodds, Fay; García, Felipe; Kowenicki, Richard A.; Parsons, Simon P.; McPartlin, Mary; Wright, Dominic S.","Targeting large phosp(III)azane macrocyles [{P(mu-NR)}(2)(LL)](n) (n> or = 2).","Dalton transactions (Cambridge, England : 2003)","2006","","35","4235","4243","10.1039/b607332h","","","0.71073","MoKα","","0.0787","0.051","","","0.1234","0.1349","","","","","","1.07","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007564","17.384","0.003","17.457","0.003","13.119","0.002","90","","100.347","0.003","90","","3916.5","1.1","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","HolTH02","","","- C44 H60 N4 -","- C44 H60 N4 -","- C176 H240 N16 -","4","0.5","","Hebden, Travis J.; Brennessel, William W.; Flaschenriem, Christine J.; Holland, Patrick L.","A dinucleating ligand related to the beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3855","3857","10.1039/b607440e","","","0.71073","MoKα","","0.068","0.0529","","","0.1381","0.1509","","","","","","1.036","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007565","14.1939","0.0007","14.1939","0.0007","37.812","0.004","90","","90","","120","","6597.3","0.8","223","0.5","223","0.5","","","","","","","","5","P 32 2 1","P 32 2""","154","holph18","","","- C92 H126 K4 N8 O -","- C92 H126 K4 N8 O -","- C276 H378 K12 N24 O3 -","3","0.5","","Hebden, Travis J.; Brennessel, William W.; Flaschenriem, Christine J.; Holland, Patrick L.","A dinucleating ligand related to the beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3855","3857","10.1039/b607440e","","","0.71073","MoKα","","0.1051","0.0512","","","0.1184","0.137","","","","","","1.024","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007566","9.4799","0.0011","32.013","0.004","15.8987","0.0018","90","","99.512","0.002","90","","4758.6","1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","holph19","","","- C51.5 H73 K N4 O -","- C51.5 H73 K N4 O -","- C206 H292 K4 N16 O4 -","4","1","","Hebden, Travis J.; Brennessel, William W.; Flaschenriem, Christine J.; Holland, Patrick L.","A dinucleating ligand related to the beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3855","3857","10.1039/b607440e","","","0.71073","MoKα","","0.0966","0.0624","","","0.1609","0.1784","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007567","8.8106","0.0011","13.7761","0.0017","9.1967","0.0011","90","","108.001","0.002","90","","1061.6","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 Cl2 P2 Pt -","- C20 H26 Cl2 P2 Pt -","- C40 H52 Cl4 P4 Pt2 -","2","1","","Baber, Angharad; de Vries, Johannes G.; Orpen, A. Guy; Pringle, Paul G.; von der Luehe, Karl","Allosteric effects in asymmetric hydrogenation catalysis? Asymmetric induction as a function of the substrate and the backbone flexibility of C1-symmetric diphosphines in rhodium-catalysed hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4821","4828","10.1039/b607479k","","","0.71073","MoKα","","0","0.0282","","","0.063","0.0653","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007568","8.9411","0.0011","11.7365","0.0014","11.1592","0.0014","90","","106.754","0.002","90","","1121.3","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 Cl2 P2 Pt -","- C21 H28 Cl2 P2 Pt -","- C42 H56 Cl4 P4 Pt2 -","2","1","","Baber, Angharad; de Vries, Johannes G.; Orpen, A. Guy; Pringle, Paul G.; von der Luehe, Karl","Allosteric effects in asymmetric hydrogenation catalysis? Asymmetric induction as a function of the substrate and the backbone flexibility of C1-symmetric diphosphines in rhodium-catalysed hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4821","4828","10.1039/b607479k","","","0.71073","MoKα","","0.1017","0.0559","","","0.0959","0.1108","","","","","","0.976","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007569","13.45","0.003","17.802","0.004","22.023","0.004","90","","95.08","0.03","90","","5252.4","1.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H61 O P5 Pt2 -","- C58 H61 O P5 Pt2 -","- C232 H244 O4 P20 Pt8 -","4","1","","Jones, Cameron; Schulten, Christian; Stasch, Andreas","The first complexes and cyclodimerisations of methylphosphaalkyne (P[triple bond]CMe).","Dalton transactions (Cambridge, England : 2003)","2006","","31","3733","3735","10.1039/b607489h","","","0.71073","MoKα","","0.0375","0.0277","","","0.0504","0.0526","","","","","","1.038","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007570","14.46","0.003","20.302","0.004","24.218","0.005","90","","90","","90","","7110","3","150","2","150","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C26 H63 P5 Pt2 -","- C26 H63 P5 Pt2 -","- C208 H504 P40 Pt16 -","8","1","","Jones, Cameron; Schulten, Christian; Stasch, Andreas","The first complexes and cyclodimerisations of methylphosphaalkyne (P[triple bond]CMe).","Dalton transactions (Cambridge, England : 2003)","2006","","31","3733","3735","10.1039/b607489h","","","0.71073","MoKα","","0.0575","0.0484","","","0.1112","0.1147","","","","","","1.245","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007571","11.466","0.002","9.938","0.002","41.029","0.008","90","","90.56","0.03","90","","4675","1.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H77 P3 Pt -","- C45 H77 P3 Pt -","- C180 H308 P12 Pt4 -","4","1","","Jones, Cameron; Schulten, Christian; Stasch, Andreas","The first complexes and cyclodimerisations of methylphosphaalkyne (P[triple bond]CMe).","Dalton transactions (Cambridge, England : 2003)","2006","","31","3733","3735","10.1039/b607489h","","","0.71073","MoKα","","0.0331","0.0263","","","0.0641","0.0665","","","","","","1.037","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007572","14.323","0.003","30.107","0.006","12.311","0.003","90","","90","","90","","5309","2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H6 O14 P2 W3 -","- C18 H6 O14 P2 W3 -","- C144 H48 O112 P16 W24 -","8","1","","Jones, Cameron; Schulten, Christian; Stasch, Andreas","The first complexes and cyclodimerisations of methylphosphaalkyne (P[triple bond]CMe).","Dalton transactions (Cambridge, England : 2003)","2006","","31","3733","3735","10.1039/b607489h","","","0.71073","MoKα","","0.0343","0.0269","","","0.05","0.0518","","","","","","1.097","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007573","16.082","0.003","12.237","0.002","28.575","0.006","90","","106.02","0.03","90","","5405","1.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 O14 P2 W3 -","- C18 H6 O14 P2 W3 -","- C144 H48 O112 P16 W24 -","8","2","","Jones, Cameron; Schulten, Christian; Stasch, Andreas","The first complexes and cyclodimerisations of methylphosphaalkyne (P[triple bond]CMe).","Dalton transactions (Cambridge, England : 2003)","2006","","31","3733","3735","10.1039/b607489h","","","0.71073","MoKα","","0.0859","0.063","","","0.1385","0.1469","","","","","","1.133","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007574","8.3599","0.0015","14.735","0.003","12.58","0.002","90","","96.482","0.004","90","","1539.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Cl2 O2 P2 Pd -","- C30 H42 Cl2 O2 P2 Pd -","- C60 H84 Cl4 O4 P4 Pd2 -","2","0.5","","Doherty, Ruth; Haddow, Mairi F.; Harrison, Zoë A; Orpen, A. Guy; Pringle, Paul G.; Turner, Alex; Wingad, Richard L.","Bulky 4-phosphacyclohexanones: diastereoselective complexations, orthometallations and unprecedented [3.1.1]metallabicycles.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4310","4320","10.1039/b607490a","","","0.71073","MoKα","","0.0429","0.0283","","","0.0616","0.0657","","","","","","1.02","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007575","14.309","0.003","14.435","0.003","15.693","0.003","90","","113.99","0.03","90","","2961.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 Cl O2 P2 Pt -","- C30 H41 Cl O2 P2 Pt -","- C120 H164 Cl4 O8 P8 Pt4 -","4","1","","Doherty, Ruth; Haddow, Mairi F.; Harrison, Zoë A; Orpen, A. Guy; Pringle, Paul G.; Turner, Alex; Wingad, Richard L.","Bulky 4-phosphacyclohexanones: diastereoselective complexations, orthometallations and unprecedented [3.1.1]metallabicycles.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4310","4320","10.1039/b607490a","","","0.71073","MoKα","","0.035","0.0262","","","0.0541","0.0568","","","","","","1.005","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007576","15.415","0.003","8.1738","0.0016","18.349","0.004","90","","112.08","0.03","90","","2142.4","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H56 Cl2 O2 P2 Pt2 -","- C49 H56 Cl2 O2 P2 Pt2 -","- C98 H112 Cl4 O4 P4 Pt4 -","2","0.5","","Doherty, Ruth; Haddow, Mairi F.; Harrison, Zoë A; Orpen, A. Guy; Pringle, Paul G.; Turner, Alex; Wingad, Richard L.","Bulky 4-phosphacyclohexanones: diastereoselective complexations, orthometallations and unprecedented [3.1.1]metallabicycles.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4310","4320","10.1039/b607490a","","","0.71073","MoKα","","0.051","0.0398","","","0.0954","0.1092","","","","","","1.01","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007577","6.2849","0.0013","22.074","0.004","14.046","0.003","90","","102.72","0.03","90","","1900.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 O2 P -","- C23 H27 O2 P -","- C92 H108 O8 P4 -","4","1","","Doherty, Ruth; Haddow, Mairi F.; Harrison, Zoë A; Orpen, A. Guy; Pringle, Paul G.; Turner, Alex; Wingad, Richard L.","Bulky 4-phosphacyclohexanones: diastereoselective complexations, orthometallations and unprecedented [3.1.1]metallabicycles.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4310","4320","10.1039/b607490a","","","1.54178","CuKα","","0.1331","0.0828","","","0.2004","0.2561","","","","","","1.03","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007578","7.7616","0.0016","23.36","0.005","8.1907","0.0016","90","","106.68","0.03","90","","1422.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 O P -","- C15 H21 O P -","- C60 H84 O4 P4 -","4","1","","Doherty, Ruth; Haddow, Mairi F.; Harrison, Zoë A; Orpen, A. Guy; Pringle, Paul G.; Turner, Alex; Wingad, Richard L.","Bulky 4-phosphacyclohexanones: diastereoselective complexations, orthometallations and unprecedented [3.1.1]metallabicycles.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4310","4320","10.1039/b607490a","","","0.71073","MoKα","","0.0458","0.0351","","","0.0904","0.0964","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007579","10.479","0.003","14.369","0.004","14.537","0.004","116.004","0.004","92.782","0.004","95.772","0.004","1946.8","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 Cl2 O2 P2 Pt -","- C46 H42 Cl2 O2 P2 Pt -","- C92 H84 Cl4 O4 P4 Pt2 -","2","1","","Doherty, Ruth; Haddow, Mairi F.; Harrison, Zoë A; Orpen, A. Guy; Pringle, Paul G.; Turner, Alex; Wingad, Richard L.","Bulky 4-phosphacyclohexanones: diastereoselective complexations, orthometallations and unprecedented [3.1.1]metallabicycles.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4310","4320","10.1039/b607490a","","","0.71073","MoKα","","0.0572","0.0366","","","0.0701","0.0759","","","","","","0.974","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007580","6.0489","0.0018","22.056","0.007","13.959","0.004","90","","98.366","0.006","90","","1842.5","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 O P -","- C21 H25 O P -","- C84 H100 O4 P4 -","4","1","","Doherty, Ruth; Haddow, Mairi F.; Harrison, Zoë A; Orpen, A. Guy; Pringle, Paul G.; Turner, Alex; Wingad, Richard L.","Bulky 4-phosphacyclohexanones: diastereoselective complexations, orthometallations and unprecedented [3.1.1]metallabicycles.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4310","4320","10.1039/b607490a","","","0.71073","MoKα","","0.1483","0.0679","","","0.1328","0.1566","","","","","","1.011","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007581","17.938","0.004","13.963","0.003","16.316","0.003","90","","95.08","0.03","90","","4070.6","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 Cl2 O2 P2 Pt -","- C46 H54 Cl2 O2 P2 Pt -","- C184 H216 Cl8 O8 P8 Pt4 -","4","0.5","","Doherty, Ruth; Haddow, Mairi F.; Harrison, Zoë A; Orpen, A. Guy; Pringle, Paul G.; Turner, Alex; Wingad, Richard L.","Bulky 4-phosphacyclohexanones: diastereoselective complexations, orthometallations and unprecedented [3.1.1]metallabicycles.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4310","4320","10.1039/b607490a","","","1.54178","CuKα","","0.0607","0.0347","","","0.0754","0.0857","","","","","","1.015","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007582","10.565","0.003","11.28","0.004","23.344","0.007","90","","92.5","0.005","90","","2779.3","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C108 H108 Ag4 B4 F16 N24 O2 -","- C108 H108 Ag4 B4 F16 N24 O2 -","- C108 H108 Ag4 B4 F16 N24 O2 -","1","0.25","","Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D.","Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate.","Dalton transactions (Cambridge, England : 2003)","2006","","42","4996","5013","10.1039/b607541j","","","0.71073","MoKα","","0.0838","0.0516","","","0.1312","0.1479","","","","","","0.987","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007583","12.3886","0.0013","14.0381","0.0015","14.2908","0.0015","90","","93.946","0.002","90","","2479.5","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Ag2 Cl2 N12 O8 -","- C50 H44 Ag2 Cl2 N12 O8 -","- C100 H88 Ag4 Cl4 N24 O16 -","2","0.5","","Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D.","Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate.","Dalton transactions (Cambridge, England : 2003)","2006","","42","4996","5013","10.1039/b607541j","","","0.71073","MoKα","","0.0683","0.0353","","","0.0698","0.0773","","","","","","0.896","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007584","11.5905","0.0002","21.456","0.0004","18.4922","0.0005","90","","95.651","0.001","90","","4576.4","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Ag2 B2 F8 N12 -","- C48 H40 Ag2 B2 F8 N12 -","- C192 H160 Ag8 B8 F32 N48 -","4","1","","Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D.","Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate.","Dalton transactions (Cambridge, England : 2003)","2006","","42","4996","5013","10.1039/b607541j","","","1.54178","CuKα","","0.0469","0.0375","","","0.0909","0.0946","","","","","","1.002","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007585","16.607","0.005","28.742","0.009","52.334","0.016","90","","90","","90","","24980","13","150","2","150","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C31 H27 Ag B F4 N7 O2 -","- C31 H27 Ag B F4 N7 O2 -","- C992 H864 Ag32 B32 F128 N224 O64 -","32","1","","Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D.","Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate.","Dalton transactions (Cambridge, England : 2003)","2006","","42","4996","5013","10.1039/b607541j","","","0.71073","MoKα","","0.1758","0.1311","","","0.4124","0.4523","","","","","","1.703","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007586","18.657","0.001","14.6839","0.0007","24.3229","0.0012","90","","98.321","0.003","90","","6593.3","0.6","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C135 H131 Ag4 B4 F16 N25 O3 -","- C135 H131 Ag4 B3.988 F16 N25 O3 -","- C270 H262 Ag8 B7.976 F32 N50 O6 -","2","0.5","","Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D.","Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate.","Dalton transactions (Cambridge, England : 2003)","2006","","42","4996","5013","10.1039/b607541j","","","0.71073","MoKα","","0.0983","0.0661","","","0.1772","0.2024","","","","","","1.021","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007587","16.281","0.011","18.3","0.012","23.28","0.015","72.91","0.006","78.379","0.006","76.302","0.006","6376","7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H99 Ag4 B4 F16 N27 -","- C108 H99 Ag4 B1.5 F6 N27 -","- C216 H198 Ag8 B3 F12 N54 -","2","1","","Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D.","Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate.","Dalton transactions (Cambridge, England : 2003)","2006","","42","4996","5013","10.1039/b607541j","","","0.6712","synchrotron","","0.1945","0.1414","","","0.3683","0.3919","","","","","","1.183","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007588","34.528","0.0017","14.1848","0.0006","16.418","0.0008","90","","116.732","0.001","90","","7181.7","0.6","273","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cl2 Hg N6 O8 -","- C24 H20 Cl2 Hg N6 O8 -","- C192 H160 Cl16 Hg8 N48 O64 -","8","1","","Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D.","Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate.","Dalton transactions (Cambridge, England : 2003)","2006","","42","4996","5013","10.1039/b607541j","","","0.71073","MoKα","","0.0708","0.0385","","","0.0878","0.094","","","","","","1.012","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007589","7.543","0.006","14.122","0.011","16.669","0.013","103.677","0.013","93.039","0.013","101.174","0.013","1683","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl2 Hg2 N8 O12 -","- C26 H26 Cl2 Hg2 N8 O12 -","- C52 H52 Cl4 Hg4 N16 O24 -","2","1","","Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D.","Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate.","Dalton transactions (Cambridge, England : 2003)","2006","","42","4996","5013","10.1039/b607541j","","","0.71073","MoKα","","0.1452","0.111","","","0.2466","0.2611","","","","","","1.116","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007590","19.319","0.006","11.656","0.003","15.942","0.005","90","","93.757","0.005","90","","3582.1","1.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl2 Hg2 N8 O10 -","- C30 H34 Cl2 Hg2 N8 O10 -","- C120 H136 Cl8 Hg8 N32 O40 -","4","1","","Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D.","Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate.","Dalton transactions (Cambridge, England : 2003)","2006","","42","4996","5013","10.1039/b607541j","","","0.71073","MoKα","","0.0545","0.0379","","","0.0939","0.105","","","","","","1.043","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007591","11.744","0.004","14.504","0.004","15.839","0.005","84.768","0.005","87.466","0.005","89.353","0.005","2684","1.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Cl4 Hg4 N12 O16 -","- C48 H40 Cl4 Hg4 N12 O16 -","- C96 H80 Cl8 Hg8 N24 O32 -","2","1","","Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D.","Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate.","Dalton transactions (Cambridge, England : 2003)","2006","","42","4996","5013","10.1039/b607541j","","","0.71073","MoKα","","0.0847","0.0546","","","0.1265","0.1426","","","","","","0.989","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007592","18.823","0.011","19.008","0.01","30.656","0.017","86.704","0.009","89.145","0.009","66.948","0.009","10075","10","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C183 H153 Cl8 Hg4 N39 O38 -","- C183 H153 Cl8 Hg4 N39 O38 -","- C366 H306 Cl16 Hg8 N78 O76 -","2","1","","Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D.","Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate.","Dalton transactions (Cambridge, England : 2003)","2006","","42","4996","5013","10.1039/b607541j","","","0.71073","MoKα","","0.2199","0.1184","","","0.2981","0.3528","","","","","","0.809","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007593","18.2863","0.0003","25.3101","0.0004","22.8779","0.0004","90","","93.613","0.001","90","","10567.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H88 Cl6 Hg3 N28 O24 -","- C98 H88 Cl6 Hg3 N28 O24 -","- C392 H352 Cl24 Hg12 N112 O96 -","4","1","","Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D.","Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate.","Dalton transactions (Cambridge, England : 2003)","2006","","42","4996","5013","10.1039/b607541j","","","0.71073","MoKα","","0.0425","0.0255","","","0.0577","0.0691","","","","","","0.83","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007594","13.9421","0.0004","49.793","0.0014","14.898","0.0004","90","","102.458","0.002","90","","10099","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C89 H77 Cl4 Hg3 N25 O22 -","- C89 H77 Cl4 Hg3 N25 O22 -","- C356 H308 Cl16 Hg12 N100 O88 -","4","1","","Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D.","Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate.","Dalton transactions (Cambridge, England : 2003)","2006","","42","4996","5013","10.1039/b607541j","","","0.71073","MoKα","","0.0949","0.0825","","","0.2042","0.2099","","","","","","1.228","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007595","13.5488","0.0006","12.3949","0.0006","18.234","0.0008","90","","100.783","0.001","90","","3008.1","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","Fe-complex perchlorite","Fe-complex perchlorite","","- C20 H31.64 Cl2 Fe N10 O9.82 -","- C20 H31.633 Cl2 Fe N10 O9.8165 -","- C80 H126.532 Cl8 Fe4 N40 O39.266 -","4","2","","Brewer, Greg; Olida, Myro Joy; Schmiedekamp, Ann M.; Viragh, Carol; Zavalij, Peter Y.","A DFT computational study of spin crossover in iron(III) and iron(II) tripodal imidazole complexes. A comparison of experiment with calculations.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5617","5629","10.1039/b607588f","","","0.71073","MoKα","","0.0365","0.0329","","","0.0739","0.0762","","","","","","0.999","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007596","11.9397","0.0005","11.9397","0.0005","35.951","0.002","90","","90","","120","","4438.4","0.4","223","2","223","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Fe(LH3-x) complex (I,I3)1.38","Fe(LH3-x) complex (I,I3)1.38","","- C18 H23.39 Fe I2.63 N10 -","- C18 H23.39 Fe I2.6256 N10 -","- C108 H140.34 Fe6 I15.7536 N60 -","6","1","","Brewer, Greg; Olida, Myro Joy; Schmiedekamp, Ann M.; Viragh, Carol; Zavalij, Peter Y.","A DFT computational study of spin crossover in iron(III) and iron(II) tripodal imidazole complexes. A comparison of experiment with calculations.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5617","5629","10.1039/b607588f","","","0.71073","MoKα","","0.0907","0.0744","","","0.1677","0.1732","","","","","","1","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007597","6.6251","0.0002","23.8365","0.0008","17.0238","0.0005","90","","97.573","0.001","90","","2664.94","0.14","178","2","178","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Au Cr N O5 P -","- C27 H23 Au Cr N O5 P -","- C108 H92 Au4 Cr4 N4 O20 P4 -","4","1","","Raubenheimer, Helgard G.; Esterhuysen, Matthias W.; Frenking, Gernot; Timoshkin, Alexey Y.; Esterhuysen, Catharine; Horvath, Ulrike E. I.","Aurolysis of alpha-C-deprotonated group 6 aminocarbene and thiocarbene complexes with Ph3PAu+.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4580","4589","10.1039/b607613k","","","0.71073","MoKα","","0.0442","0.0333","","","0.0832","0.089","","","","","","1.023","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007598","12.4049","0.0002","20.7908","0.0003","23.8896","0.0003","90","","91.437","0.001","90","","6159.38","0.15","177","2","177","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59.04 H41.04 Au2 Cr2 O10 P2 S2 -","- C29.517 H20.517 Au Cr O5.0015 P S -","- C236.136 H164.136 Au8 Cr8 O40.012 P8 S8 -","8","2","","Raubenheimer, Helgard G.; Esterhuysen, Matthias W.; Frenking, Gernot; Timoshkin, Alexey Y.; Esterhuysen, Catharine; Horvath, Ulrike E. I.","Aurolysis of alpha-C-deprotonated group 6 aminocarbene and thiocarbene complexes with Ph3PAu+.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4580","4589","10.1039/b607613k","","","0.71073","MoKα","","0.0595","0.0476","","","0.1046","0.1087","","","","","","1.225","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007599","11.3464","0.0011","12.2837","0.0012","20.705","0.002","87.165","0.002","76.637","0.002","76.024","0.002","2724.5","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 Au Cr O5 P S -","- C29 H20 Au Cr O5 P S -","- C116 H80 Au4 Cr4 O20 P4 S4 -","4","2","","Raubenheimer, Helgard G.; Esterhuysen, Matthias W.; Frenking, Gernot; Timoshkin, Alexey Y.; Esterhuysen, Catharine; Horvath, Ulrike E. I.","Aurolysis of alpha-C-deprotonated group 6 aminocarbene and thiocarbene complexes with Ph3PAu+.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4580","4589","10.1039/b607613k","","","0.71073","MoKα","","0.0469","0.0364","","","0.0797","0.084","","","","","","1.056","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7007600","11.0251","0.0006","16.2531","0.0007","17.4691","0.0008","77.252","0.004","77.205","0.004","84.064","0.004","2972.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H100 K2 N6 O2 -","- C54 H100 K2 N6 O2 -","- C108 H200 K4 N12 O4 -","2","1","","Cox, Andrew R. F.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Yeldon, David","Coordination complexes bearing potentially tetradentate phenoxyamine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5014","5023","10.1039/b607753f","","","0.71073","MoKα","","0.0769","0.071","","","0.1657","0.1708","","","","","","1.106","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007601","12.9731","0.0004","12.3098","0.0004","19.0286","0.0006","90","","96.436","0.003","90","","3019.64","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H53 Mg N3 O -","- C28 H53 Mg N3 O -","- C112 H212 Mg4 N12 O4 -","4","1","","Cox, Andrew R. F.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Yeldon, David","Coordination complexes bearing potentially tetradentate phenoxyamine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5014","5023","10.1039/b607753f","","","0.71073","MoKα","","0.0797","0.0767","","","0.1605","0.1621","","","","","","1.215","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007602","10.3132","0.0004","11.9611","0.0005","20.6126","0.0009","86.978","0.003","86.976","0.003","89.506","0.003","2535.6","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H42 Al N O3 -","- C23 H42 Al N O3 -","- C92 H168 Al4 N4 O12 -","4","2","","Cox, Andrew R. F.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Yeldon, David","Coordination complexes bearing potentially tetradentate phenoxyamine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5014","5023","10.1039/b607753f","","","0.71073","MoKα","","0.1156","0.0739","","","0.2055","0.2299","","","","","","1.085","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007603","14.7846","0.0016","15.365","0.002","17.136","0.002","67.774","0.013","72.413","0.01","71.161","0.012","3337.7","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H55 N3 O Zn -","- C29 H55 N3 O Zn -","- C116 H220 N12 O4 Zn4 -","4","2","","Cox, Andrew R. F.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Yeldon, David","Coordination complexes bearing potentially tetradentate phenoxyamine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5014","5023","10.1039/b607753f","","","0.71073","MoKα","","0.1112","0.0812","","","0.241","0.2795","","","","","","1.031","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007604","11.6696","0.0003","19.4177","0.0006","25.5282","0.0008","90","","90","","90","","5784.6","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H51 N3 O Zn -","- C27 H51 N3 O Zn -","- C216 H408 N24 O8 Zn8 -","8","1","","Cox, Andrew R. F.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Yeldon, David","Coordination complexes bearing potentially tetradentate phenoxyamine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5014","5023","10.1039/b607753f","","","0.71073","MoKα","","0.0686","0.0492","","","0.1256","0.1372","","","","","","1.167","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007605","10.6902","0.0004","13.6702","0.0004","19.5952","0.0006","90","","94.272","0.003","90","","2855.63","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H88 Cl2 Fe2 N2 O6 -","- C56 H88 Cl2 Fe2 N2 O6 -","- C112 H176 Cl4 Fe4 N4 O12 -","2","0.5","","Cox, Andrew R. F.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Yeldon, David","Coordination complexes bearing potentially tetradentate phenoxyamine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5014","5023","10.1039/b607753f","","","0.71073","MoKα","","0.0718","0.0413","","","0.0969","0.1072","","","","","","1.014","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007606","28.367","0.004","13.2626","0.0018","16.275","0.002","90","","98.509","0.011","90","","6055.6","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H50 Cl2 Cr N3 O -","- C27 H50 Cl2 Cr N3 O -","- C216 H400 Cl16 Cr8 N24 O8 -","8","1","","Cox, Andrew R. F.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Yeldon, David","Coordination complexes bearing potentially tetradentate phenoxyamine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5014","5023","10.1039/b607753f","","","1.54248","CuKα","","0.1159","0.0516","","","0.0646","0.0829","","","","","","0.954","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007607","11.9832","0.0005","12.9061","0.0007","15.6009","0.0007","90","","106.512","0.004","90","","2313.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 Cl Co N O3 -","- C21 H36 Cl Co N O3 -","- C84 H144 Cl4 Co4 N4 O12 -","4","1","","Cox, Andrew R. F.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Yeldon, David","Coordination complexes bearing potentially tetradentate phenoxyamine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5014","5023","10.1039/b607753f","","","0.71073","MoKα","","0.0485","0.0363","","","0.0939","0.1001","","","","","","1.137","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007608","15.7123","0.0006","30.5819","0.0012","18.772","0.0007","90","","90.923","0.003","90","","9019","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H72 Mg N2 O6 -","- C42 H72 Mg N2 O6 -","- C336 H576 Mg8 N16 O48 -","8","2","","Cox, Andrew R. F.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Yeldon, David","Coordination complexes bearing potentially tetradentate phenoxyamine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5014","5023","10.1039/b607753f","","","0.71073","MoKα","","0.3374","0.2975","","","0.4465","0.4586","","","","","","2.088","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007609","10.8234","0.001","12.9659","0.0012","13.137","0.0011","110.331","0.008","107.408","0.008","100.882","0.008","1558.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H108 Ca N6 O2 -","- C61 H108 Ca N6 O2 -","- C61 H108 Ca N6 O2 -","1","0.5","","Cox, Andrew R. F.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Yeldon, David","Coordination complexes bearing potentially tetradentate phenoxyamine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5014","5023","10.1039/b607753f","","","0.71073","MoKα","","0.1908","0.1754","","","0.3555","0.3674","","","","","","1.169","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007610","11.2223","0.0002","13.0825","0.0003","19.4125","0.0004","90","","90","","90","","2850.06","0.1","173","2","173","2","","","","","","","synthesis as described","3","P c c n","-P 2ab 2ac","56","['C6H3iPr2NHCHCPhCHNC6H3iPr2]","","","- C33 H42 N2 -","- C33 H42 N2 -","- C132 H168 N8 -","4","0.5","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.0751","0.0575","","","0.1328","0.1423","","","","","","1.09","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007611","18.863","0.0002","19.5833","0.0002","20.7986","0.0002","90","","90","","90","","7683","0.14","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","[Li(thf)2{C6H3iPr2NCHCPhCHNC6H3iPr2}]","","","- C41 H57 Li N2 O2 -","- C41 H57 Li N2 O2 -","- C328 H456 Li8 N16 O16 -","8","1","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.7107","MoKα","","0.0798","0.0627","","","0.1555","0.1687","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007612","10.2941","0.0002","18.5693","0.0003","19.6964","0.0004","90","","100.636","0.001","90","","3700.37","0.12","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 Li N4 -","- C39 H57 Li N4 -","- C156 H228 Li4 N16 -","4","1","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.0681","0.0487","","","0.1153","0.1268","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007613","10.0584","0.0001","11.9404","0.0001","26.9485","0.0003","90","","98.394","0.001","90","","3201.88","0.06","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Al Cl2 N2 -","- C33 H41 Al Cl2 N2 -","- C132 H164 Al4 Cl8 N8 -","4","1","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.044","0.0356","","","0.0862","0.0911","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007614","10.0613","0.0001","11.9025","0.0002","27.0265","0.0005","90","","98.114","0.001","90","","3204.15","0.09","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Cl2 Ga N2 -","- C33 H41 Cl2 Ga N2 -","- C132 H164 Cl8 Ga4 N8 -","4","1","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.0637","0.0393","","","0.0719","0.0789","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007615","17.7096","0.0002","17.7096","0.0002","12.2877","0.0001","90","","90","","120","","3337.48","0.06","173","2","173","2","","","","","","","synthesis as described","7","P 32","P 32","145","","","","- C41 H61 Cl3 In Li N2 O2 -","- C41 H61 Cl3 In Li N2 O2 -","- C123 H183 Cl9 In3 Li3 N6 O6 -","3","1","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.0262","0.0241","","","0.0548","0.0559","","","","","","1.029","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007616","12.1201","0.0002","22.6524","0.0003","37.2258","0.0004","90","","90","","90","","10220.3","0.2","173","2","173","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","[In(ArNCHCPhCHNAr)(NHAr)2]","","","- C57 H77 In N4 -","- C57 H77 In N4 -","- C456 H616 In8 N32 -","8","1","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.0508","0.0332","","","0.0766","0.086","","","","","","1.006","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007617","14.3394","0.0002","14.4401","0.0002","17.9795","0.0003","83.201","0.001","70.719","0.001","71.788","0.001","3337.55","0.09","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[{InCl(OH)(ArNCHCPhCHNAr)}2].(thf)","","","- C70 H92 Cl2 In2 N4 O3 -","- C70 H92 Cl2 In2 N4 O3 -","- C140 H184 Cl4 In4 N8 O6 -","2","1","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.0314","0.0258","","","0.064","0.068","","","","","","1.013","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007618","13.9262","0.0003","14.4149","0.0002","17.9008","0.0004","83.762","0.001","72.69","0.001","72.979","0.001","3279.55","0.11","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C70 H90 Cl2 In2 N4 O -","- C70 H90 Cl2 In2 N4 O -","- C140 H180 Cl4 In4 N8 O2 -","2","1","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.0421","0.0317","","","0.0706","0.0755","","","","","","1.03","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007619","18.6868","0.0002","12.9207","0.0002","26.495","0.0004","90","","101.491","0.001","90","","6268.9","0.15","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H82 Cl2 In2 N4 S -","- C66 H82 Cl2 In2 N4 S -","- C264 H328 Cl8 In8 N16 S4 -","4","1","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.0499","0.0363","","","0.0739","0.0786","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007620","23.5091","0.0009","23.5091","0.0009","28.5786","0.0006","90","","90","","90","","15794.8","0.9","173","2","173","2","","","","","","","synthesis as described","7","I 41/a :2","-I 4ad","88","","","","- C22 H56 Cl6 In2 N4 O3.5 Sn2 -","- C22 H56 Cl6 In2 N4 O3.5 Sn2 -","- C352 H896 Cl96 In32 N64 O56 Sn32 -","16","1","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.0959","0.0504","","","0.0785","0.0905","","","","","","1.028","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007621","12.3372","0.0005","12.3604","0.0006","12.9731","0.0004","92.242","0.002","118.216","0.002","111.648","0.002","1564.23","0.12","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C66 H82 Cl2 In2 N4 -","- C66 H82 Cl2 In2 N4 -","- C66 H82 Cl2 In2 N4 -","1","0.5","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.0472","0.0367","","","0.0821","0.0869","","","","","","1.062","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007622","13.3062","0.0002","13.9612","0.0002","18.5787","0.0002","90","","95.975","0.001","90","","3432.62","0.08","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H96 Cl2 In2 N4 -","- C72 H96 Cl2 In2 N4 -","- C144 H192 Cl4 In4 N8 -","2","0.5","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.0394","0.0321","","","0.0869","0.0946","","","","","","1.089","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007623","29.746","0.0009","17.829","0.0006","46.765","0.0015","90","","106.019","0.003","90","","23838.4","1.4","150","2","150","2","","","","","","","C. Milios","6","P 1 21/c 1","-P 2ybc","14","","","","- C364 H402 Cl12 Mn24 N86 O96 -","- C324 H342 Cl12 Mn24 N66 O96 -","- C648 H684 Cl24 Mn48 N132 O192 -","2","0.5","","Scott, Richard T. W.; Milios, Constantinos J.; Vinslava, Alina; Lifford, David; Parsons, Simon; Wernsdorfer, Wolfgang; Christou, George; Brechin, Euan K.","Making ""wheels"" and ""cubes"" from triangles.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3161","3163","10.1039/b607822m","","","1.5418","CuKα","","0.137","0.1097","","","0.3293","0.3506","","","","","","1.369","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7007624","27.1248","0.0003","10.8041","0.0001","34.2865","0.0004","90","","92.1","0.0004","90","","10041.2","0.19","200","","200","","","","","","","","?","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 Co F18 N3 O P6 -","- C44 H48 Co F18 N3 O P6 -","- C352 H384 Co8 F144 N24 O8 P48 -","8","1","","Bennett, Justine; Doyle, Roy J.; Salem, Geoffrey; Willis, Anthony C.","Synthesis of a chelating hexadentate ligand with a P3N3 donor set. Crystal and molecular structure of [OC-6-22]-[Co{(RP*,RP*,RP*)-CH3C(CH2PPhC6H4NH2-2)3}](PF6)3.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4614","4622","10.1039/b607847h","","","0.71073","MoKα","","","0.035","","","","0.0382","","","","","","1.0826","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007625","11.1852","0.0002","17.71","0.0003","11.7952","0.0001","90","","92.8833","0.0008","90","","2333.55","0.06","200","","200","","","","","","","","?","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H47 Cl N2 O4 P2 Pt S2 -","- C51 H44 Cl N2 O4 P2 Pt S2 -","- C102 H88 Cl2 N4 O8 P4 Pt2 S4 -","2","0.5","","Bennett, Justine; Doyle, Roy J.; Salem, Geoffrey; Willis, Anthony C.","Synthesis of a chelating hexadentate ligand with a P3N3 donor set. Crystal and molecular structure of [OC-6-22]-[Co{(RP*,RP*,RP*)-CH3C(CH2PPhC6H4NH2-2)3}](PF6)3.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4614","4622","10.1039/b607847h","","","0.71073","MoKα","","","0.0227","","","","0.0259","","","","","","1.0291","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007626","16.8292","0.0012","9.9533","0.0007","16.8115","0.0012","90","","94.959","0.003","90","","2805.5","0.3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 Cl Cr N4 O -","- C24 H50 Cl Cr N4 O -","- C96 H200 Cl4 Cr4 N16 O4 -","4","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Synthesis, structural characterization, and properties of chromium(III) complexes containing amidinato ligands and eta2-pyrazolato, eta(2)-1,2,4-triazolato, or eta1-tetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4506","4513","10.1039/b607903b","","","0.71073","MoKα","","0.0432","0.0348","","","0.0933","0.0979","","","","","","1.05","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007627","11.4119","0.0011","16.3633","0.0016","15.2947","0.0015","90","","96.556","0.002","90","","2837.4","0.5","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 Cr N7 -","- C24 H48 Cr N7 -","- C96 H192 Cr4 N28 -","4","0.5","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Synthesis, structural characterization, and properties of chromium(III) complexes containing amidinato ligands and eta2-pyrazolato, eta(2)-1,2,4-triazolato, or eta1-tetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4506","4513","10.1039/b607903b","","","0.71073","MoKα","","0.0347","0.0313","","","0.0932","0.0957","","","","","","1.055","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007628","11.4967","0.0008","16.5226","0.0012","15.3293","0.001","90","","95.526","0.002","90","","2898.4","0.3","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H49 Cr N6 -","- C25 H49 Cr N6 -","- C100 H196 Cr4 N24 -","4","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Synthesis, structural characterization, and properties of chromium(III) complexes containing amidinato ligands and eta2-pyrazolato, eta(2)-1,2,4-triazolato, or eta1-tetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4506","4513","10.1039/b607903b","","","0.71073","MoKα","","0.0508","0.0343","","","0.0917","0.0991","","","","","","1.027","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007629","9.8463","0.0003","18.5033","0.0005","19.5426","0.0005","90","","92.67","0.001","90","","3556.58","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 Cr F3 N9 -","- C31 H55 Cr F3 N9 -","- C124 H220 Cr4 F12 N36 -","4","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Synthesis, structural characterization, and properties of chromium(III) complexes containing amidinato ligands and eta2-pyrazolato, eta(2)-1,2,4-triazolato, or eta1-tetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4506","4513","10.1039/b607903b","","","0.71073","MoKα","","0.1406","0.0641","","","0.1269","0.1496","","","","","","1.03","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007630","10.7361","0.0006","16.8058","0.0009","16.2519","0.001","90","","90.286","0.001","90","","2932.3","0.3","243","2","243","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 B Cd I N6 S3 -","- C21 H34 B Cd I N6 S3 -","- C84 H136 B4 Cd4 I4 N24 S12 -","4","1","","Melnick, Jonathan G.; Parkin, Gerard","Methyl and arylchalcogenolate complexes of cadmium in a sulfur rich coordination environment: syntheses and structural characterization of the tris(2-mercapto-1-tert-butylimidazolyl)hydroborato cadmium complexes [Tm(Bu(t))]CdMe, and [Tm(Bu(t))]CdEAr (E = O, S, Se, Te) and analysis of the bonding in chalcogenolate compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4207","4210","10.1039/b607916d","","","0.71073","MoKα","","0.0385","0.027","","","0.0635","0.067","","","","","","1.042","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007631","22.379","0.003","10.8272","0.0013","21.656","0.003","90","","118.56","0.003","90","","4608.8","1.1","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H55 B Cd N6 O S3 -","- C46 H55 B Cd N6 O S3 -","- C184 H220 B4 Cd4 N24 O4 S12 -","4","1","","Melnick, Jonathan G.; Parkin, Gerard","Methyl and arylchalcogenolate complexes of cadmium in a sulfur rich coordination environment: syntheses and structural characterization of the tris(2-mercapto-1-tert-butylimidazolyl)hydroborato cadmium complexes [Tm(Bu(t))]CdMe, and [Tm(Bu(t))]CdEAr (E = O, S, Se, Te) and analysis of the bonding in chalcogenolate compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4207","4210","10.1039/b607916d","","","0.71073","MoKα","","0.1597","0.0588","","","0.0804","0.0961","","","","","","1.017","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007632","10.4001","0.0006","32.699","0.002","10.6389","0.0007","90","","113.717","0.001","90","","3312.4","0.4","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 B Cd N6 S3 Se -","- C27 H39 B Cd N6 S3 Se -","- C108 H156 B4 Cd4 N24 S12 Se4 -","4","1","","Melnick, Jonathan G.; Parkin, Gerard","Methyl and arylchalcogenolate complexes of cadmium in a sulfur rich coordination environment: syntheses and structural characterization of the tris(2-mercapto-1-tert-butylimidazolyl)hydroborato cadmium complexes [Tm(Bu(t))]CdMe, and [Tm(Bu(t))]CdEAr (E = O, S, Se, Te) and analysis of the bonding in chalcogenolate compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4207","4210","10.1039/b607916d","","","0.71073","MoKα","","0.1029","0.0419","","","0.062","0.0712","","","","","","1.007","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007633","10.6859","0.0006","32.5774","0.0017","10.8236","0.0005","90","","115.548","0.001","90","","3399.5","0.3","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 B Cd N6 S3 Te -","- C27 H39 B Cd N6 S3 Te -","- C108 H156 B4 Cd4 N24 S12 Te4 -","4","1","","Melnick, Jonathan G.; Parkin, Gerard","Methyl and arylchalcogenolate complexes of cadmium in a sulfur rich coordination environment: syntheses and structural characterization of the tris(2-mercapto-1-tert-butylimidazolyl)hydroborato cadmium complexes [Tm(Bu(t))]CdMe, and [Tm(Bu(t))]CdEAr (E = O, S, Se, Te) and analysis of the bonding in chalcogenolate compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4207","4210","10.1039/b607916d","","","0.71073","MoKα","","0.103","0.0459","","","0.094","0.1101","","","","","","1.02","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007634","19.714","0.0008","19.714","0.0008","30.131","0.0017","90","","90","","90","","11710.2","0.9","243","2","243","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H68 B2 Cd N12 S6 -","- C42 H68 B2 Cd N12 S6 -","- C336 H544 B16 Cd8 N96 S48 -","8","0.5","","Melnick, Jonathan G.; Parkin, Gerard","Methyl and arylchalcogenolate complexes of cadmium in a sulfur rich coordination environment: syntheses and structural characterization of the tris(2-mercapto-1-tert-butylimidazolyl)hydroborato cadmium complexes [Tm(Bu(t))]CdMe, and [Tm(Bu(t))]CdEAr (E = O, S, Se, Te) and analysis of the bonding in chalcogenolate compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4207","4210","10.1039/b607916d","","","0.71073","MoKα","","0.0887","0.0566","","","0.1937","0.2122","","","","","","1.065","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007635","10.8046","0.0007","12.383","0.0008","14.3266","0.0009","89.976","0.001","69.697","0.001","64.505","0.001","1597.35","0.18","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H42 B Cd N6 O0.5 S3 -","- C24 H42 B Cd N6 O0.5 S3 -","- C48 H84 B2 Cd2 N12 O S6 -","2","1","","Melnick, Jonathan G.; Parkin, Gerard","Methyl and arylchalcogenolate complexes of cadmium in a sulfur rich coordination environment: syntheses and structural characterization of the tris(2-mercapto-1-tert-butylimidazolyl)hydroborato cadmium complexes [Tm(Bu(t))]CdMe, and [Tm(Bu(t))]CdEAr (E = O, S, Se, Te) and analysis of the bonding in chalcogenolate compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4207","4210","10.1039/b607916d","","","0.71073","MoKα","","0.047","0.0322","","","0.0785","0.0839","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007636","10.2408","0.0007","32.833","0.002","10.4732","0.0007","90","","112.149","0.001","90","","3261.6","0.4","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 B Cd N6 S4 -","- C27 H39 B Cd N6 S4 -","- C108 H156 B4 Cd4 N24 S16 -","4","1","","Melnick, Jonathan G.; Parkin, Gerard","Methyl and arylchalcogenolate complexes of cadmium in a sulfur rich coordination environment: syntheses and structural characterization of the tris(2-mercapto-1-tert-butylimidazolyl)hydroborato cadmium complexes [Tm(Bu(t))]CdMe, and [Tm(Bu(t))]CdEAr (E = O, S, Se, Te) and analysis of the bonding in chalcogenolate compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4207","4210","10.1039/b607916d","","","0.71073","MoKα","","0.0467","0.0312","","","0.0721","0.0766","","","","","","1.002","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007637","15.0659","0.0009","10.9688","0.0006","25.4342","0.0016","90","","104.608","0.001","90","","4067.3","0.4","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H50 B Cd N6 S4 -","- C37 H50 B Cd N6 S4 -","- C148 H200 B4 Cd4 N24 S16 -","4","1","","Melnick, Jonathan G.; Parkin, Gerard","Methyl and arylchalcogenolate complexes of cadmium in a sulfur rich coordination environment: syntheses and structural characterization of the tris(2-mercapto-1-tert-butylimidazolyl)hydroborato cadmium complexes [Tm(Bu(t))]CdMe, and [Tm(Bu(t))]CdEAr (E = O, S, Se, Te) and analysis of the bonding in chalcogenolate compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4207","4210","10.1039/b607916d","","","0.71073","MoKα","","0.1312","0.048","","","0.0538","0.0631","","","","","","1.002","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007638","12.041","0.002","14.217","0.003","7.403","0.0015","90","","90","","90","","1267.3","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H6 Co0.5 N2 O3 Pd0.5 -","- C2 Co0.5 N2 O3 Pd0.5 -","- C16 Co4 N16 O24 Pd4 -","8","1","","Robertson, Nicholas J.; Qin, Zengquan; Dallinger, Gregory C.; Lobkovsky, Emil B.; Lee, Stephen; Coates, Geoffrey W.","Two-dimensional double metal cyanide complexes: highly active catalysts for the homopolymerization of propylene oxide and copolymerization of propylene oxide and carbon dioxide.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5390","5395","10.1039/b607963f","","","0.936","synchrotron","","0.0579","0.0535","","","0.1599","0.1651","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007639","8.645","0.002","11.453","0.003","17.937","0.005","79.809","0.01","88.37","0.01","63.842","0.008","1566.5","0.7","173.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H29 F6 Ir N2 O9 S2 -","- C24 H29 F6 Ir N2 O9 S2 -","- C48 H58 F12 Ir2 N4 O18 S4 -","2","1","","Ogo, Seiji; Kabe, Ryota; Hayashi, Hideki; Harada, Ryosuke; Fukuzumi, Shunichi","Mechanistic investigation of CO2 hydrogenation by Ru(II) and Ir(III) aqua complexes under acidic conditions: two catalytic systems differing in the nature of the rate determining step.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4657","4663","10.1039/b607993h","","","0.7107","MoKα","","","0.0288","","","","0.0765","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007640","13.4","0.0004","6.499","0.0002","20.314","0.0006","90","","103.447","0.002","90","","1720.58","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 Fe N2 O5 -","- C19 H20 Fe N2 O5 -","- C76 H80 Fe4 N8 O20 -","4","2","","Song, Haifeng; Li, Xiaohong; Long, Yitao; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Ferrocene-modified pyrimidine nucleosides: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4696","4701","10.1039/b608077d","","","0.71073","MoKα","","0.0631","0.0482","","","0.0927","0.1022","","","","","","1.049","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007641","11.212","0.0011","11.573","0.0012","14.435","0.003","90","","106.08","0.007","90","","1799.8","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 Fe N3 O4 -","- C19 H21 Fe N3 O4 -","- C76 H84 Fe4 N12 O16 -","4","2","","Song, Haifeng; Li, Xiaohong; Long, Yitao; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Ferrocene-modified pyrimidine nucleosides: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4696","4701","10.1039/b608077d","","","0.71073","MoKα","","0.0648","0.0507","","","0.1003","0.108","","","","","","1.03","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007642","13.1932","0.0007","13.4944","0.0007","14.321","0.001","79.239","0.001","84.262","0.001","72.039","0.001","2380.3","0.2","100","","100","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C47 H71 Cl2 Fe Li N2 O4 -","- C47 H71 Cl2 Fe Li N2 O4 -","- C94 H142 Cl4 Fe2 Li2 N4 O8 -","2","1","","Sciarone, Timo J. J.; Nijhuis, Christian A.; Meetsma, Auke; Hessen, Bart","Synthesis and reactivity of mono(amidinate) organoiron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4896","4904","10.1039/b608108h","","","0.71073","MoKα","","0.1718","0.0728","","","0.1305","0.1635","","","","","","0.984","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007643","21.529","0.0001","10.7289","0.0005","38.956","0.002","90","","91.712","0.001","90","","8994.1","0.6","110","1","110","1","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H126 Fe2 Li2 N4 O14 -","- C94 H126 Fe2 Li2 N4 O14 -","- C376 H504 Fe8 Li8 N16 O56 -","4","1","","Sciarone, Timo J. J.; Nijhuis, Christian A.; Meetsma, Auke; Hessen, Bart","Synthesis and reactivity of mono(amidinate) organoiron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4896","4904","10.1039/b608108h","","","0.71073","MoKα","","0.0962","0.0683","","","0.1672","0.1841","","","","","","1.027","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007644","22.329","0.001","17.831","0.001","20.489","0.001","90","","109.342","0.001","90","","7697.2","0.7","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H55 Fe N3 Si -","- C40 H55 Fe N3 Si -","- C320 H440 Fe8 N24 Si8 -","8","2","","Sciarone, Timo J. J.; Nijhuis, Christian A.; Meetsma, Auke; Hessen, Bart","Synthesis and reactivity of mono(amidinate) organoiron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4896","4904","10.1039/b608108h","","","0.71073","MoKα","","0.0756","0.044","","","0.0943","0.1057","","","","","","1.018","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007645","7.6125","0.0015","13.301","0.003","10.905","0.002","90","","90.51","0.03","90","","1104.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Cl2 P Te -","- C6 H15 Cl2 P Te -","- C24 H60 Cl8 P4 Te4 -","4","1","","Konu, Jari; Chivers, Tristram","Synthesis, spectroscopic and structural characterization of tertiary phosphine tellurium dihalides Et3PTeX2(X = Cl, Br, I).","Dalton transactions (Cambridge, England : 2003)","2006","","32","3941","3946","10.1039/b608133a","","","0.71073","MoKα","","0.033","0.0319","","","0.0873","0.0882","","","","","","1.145","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007646","7.666","0.0015","13.669","0.003","11.269","0.002","90","","90.32","0.03","90","","1180.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Br2 P Te -","- C6 H15 Br2 P Te -","- C24 H60 Br8 P4 Te4 -","4","1","","Konu, Jari; Chivers, Tristram","Synthesis, spectroscopic and structural characterization of tertiary phosphine tellurium dihalides Et3PTeX2(X = Cl, Br, I).","Dalton transactions (Cambridge, England : 2003)","2006","","32","3941","3946","10.1039/b608133a","","","0.71073","MoKα","","0.0291","0.0267","","","0.0703","0.0716","","","","","","1.086","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007647","8.6469","0.0017","11.051","0.002","13.897","0.003","90","","104.06","0.03","90","","1288.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H15 I2 P Te -","- C6 H15 I2 P Te -","- C24 H60 I8 P4 Te4 -","4","1","","Konu, Jari; Chivers, Tristram","Synthesis, spectroscopic and structural characterization of tertiary phosphine tellurium dihalides Et3PTeX2(X = Cl, Br, I).","Dalton transactions (Cambridge, England : 2003)","2006","","32","3941","3946","10.1039/b608133a","","","0.71073","MoKα","","0.0275","0.0261","","","0.0652","0.066","","","","","","1.135","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007648","25.84","0.005","13.095","0.003","15.944","0.003","90","","116.89","0.03","90","","4812","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H31 I3 O2 P2 Te -","- C12 H31 I3 O2 P2 Te -","- C96 H248 I24 O16 P16 Te8 -","8","1","","Konu, Jari; Chivers, Tristram","Synthesis, spectroscopic and structural characterization of tertiary phosphine tellurium dihalides Et3PTeX2(X = Cl, Br, I).","Dalton transactions (Cambridge, England : 2003)","2006","","32","3941","3946","10.1039/b608133a","","","0.71073","MoKα","","0.0336","0.0271","","","0.0647","0.0679","","","","","","1.034","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007649","10.548","0.002","11.297","0.002","18.344","0.004","93.47","0.03","91.3","0.03","104.45","0.03","2111.2","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H62 I4 O4 P4 Te -","- C24 H62 I4 O4 P4 Te -","- C48 H124 I8 O8 P8 Te2 -","2","1","","Konu, Jari; Chivers, Tristram","Synthesis, spectroscopic and structural characterization of tertiary phosphine tellurium dihalides Et3PTeX2(X = Cl, Br, I).","Dalton transactions (Cambridge, England : 2003)","2006","","32","3941","3946","10.1039/b608133a","","","0.71073","MoKα","","0.0341","0.0264","","","0.0587","0.0621","","","","","","1.055","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007650","6.5288","0.0007","15.4692","0.0015","9.5211","0.001","90","","95.512","0.002","90","","957.14","0.17","273","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 N O6 U -","- C7 H3 N O6 U -","- C28 H12 N4 O24 U4 -","4","1","","Frisch, Mark; Cahill, Christopher L.","Synthesis, structure and fluorescent studies of novel uranium coordination polymers in the pyridinedicarboxylic acid system.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4679","4690","10.1039/b608187h","","","0.71073","MoKα","","0.0654","0.0409","","","0.0686","0.0759","","","","","","1.044","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007651","13.4877","0.001","6.9699","0.0005","9.4739","0.0007","90","","90","","90","","890.62","0.11","298","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H3 N O6 U -","- C7 H3 N O6 U -","- C28 H12 N4 O24 U4 -","4","1","","Frisch, Mark; Cahill, Christopher L.","Synthesis, structure and fluorescent studies of novel uranium coordination polymers in the pyridinedicarboxylic acid system.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4679","4690","10.1039/b608187h","","","0.71073","MoKα","","0.0317","0.0222","","","0.0367","0.0398","","","","","","0.92","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007652","5.5685","0.0004","8.4635","0.0005","19.7227","0.0012","90","","90","","90","","929.51","0.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H3 N O6 U -","- C7 H3 N O6 U -","- C28 H12 N4 O24 U4 -","4","1","","Frisch, Mark; Cahill, Christopher L.","Synthesis, structure and fluorescent studies of novel uranium coordination polymers in the pyridinedicarboxylic acid system.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4679","4690","10.1039/b608187h","","","0.71073","MoKα","","0.0225","0.021","","","0.0523","0.0531","","","","","","0.929","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007653","7.7478","0.001","9.1757","0.0011","9.346","0.0012","86.151","0.002","71.627","0.002","77.395","0.002","615.35","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 N O10 U2 -","- C7 H3 N O10 U2 -","- C14 H6 N2 O20 U4 -","2","1","","Frisch, Mark; Cahill, Christopher L.","Synthesis, structure and fluorescent studies of novel uranium coordination polymers in the pyridinedicarboxylic acid system.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4679","4690","10.1039/b608187h","","","0.71073","MoKα","","0.0913","0.0471","","","0.0762","0.0886","","","","","","0.967","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007654","14.888","0.003","7.0906","0.0017","10.944","0.003","90","","96.525","0.003","90","","1147.8","0.5","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H6 Cu N2 O18.5 U -","- C14 H6 Cu N2 O18.52 U -","- C28 H12 Cu2 N4 O37.04 U2 -","2","0.25","","Frisch, Mark; Cahill, Christopher L.","Synthesis, structure and fluorescent studies of novel uranium coordination polymers in the pyridinedicarboxylic acid system.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4679","4690","10.1039/b608187h","","","0.71073","MoKα","","0.0697","0.047","","","0.0782","0.0887","","","","","","1.065","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007655","8.4579","0.0003","9.4393","0.0004","11.8454","0.0004","72.723","0.001","69.317","0.001","66.681","0.001","798.76","0.05","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H6 Ag2 N2 O10 U -","- C14 H6 Ag2 N2 O10 U -","- C28 H12 Ag4 N4 O20 U2 -","2","1","","Frisch, Mark; Cahill, Christopher L.","Synthesis, structure and fluorescent studies of novel uranium coordination polymers in the pyridinedicarboxylic acid system.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4679","4690","10.1039/b608187h","","","0.71073","MoKα","","0.0336","0.0278","","","0.052","0.0542","","","","","","1.042","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007656","8.7087","0.0004","19.9618","0.001","12.885","0.0007","90","","106.842","0.001","90","","2143.87","0.19","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H6 N2 O16 Pb2 U -","- C16 H6 N2 O16 Pb2 U -","- C64 H24 N8 O64 Pb8 U4 -","4","1","","Frisch, Mark; Cahill, Christopher L.","Synthesis, structure and fluorescent studies of novel uranium coordination polymers in the pyridinedicarboxylic acid system.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4679","4690","10.1039/b608187h","","","0.71073","MoKα","","0.0239","0.0233","","","0.0521","0.0524","","","","","","1.021","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007657","13.9437","0.0009","16.061","0.0009","8.8145","0.0005","90","","116.967","0.001","90","","1759.37","0.18","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 N2 O12 Pb U -","- C14 H6 N2 O12 Pb U -","- C56 H24 N8 O48 Pb4 U4 -","4","0.5","","Frisch, Mark; Cahill, Christopher L.","Synthesis, structure and fluorescent studies of novel uranium coordination polymers in the pyridinedicarboxylic acid system.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4679","4690","10.1039/b608187h","","","0.71073","MoKα","","0.0228","0.0186","","","0.0405","0.0419","","","","","","1.035","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007658","17.523","0.0002","12.276","0.0002","13.061","0.0002","90","","103.226","0.0008","90","","2735.06","0.07","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 Cl F4 N P2 Pd -","- C23 H42 Cl F4 N P2 Pd -","- C92 H168 Cl4 F16 N4 P8 Pd4 -","4","1","","Braun, Thomas; Izundu, Joseph; Steffen, Andreas; Neumann, Beate; Stammler, Hans-Georg","Reactivity of a palladium fluoro complex towards silanes and Bu3SnCH=CH2: Catalytic derivatisation of pentafluoropyridine based on carbon-fluorine bond activation reactions.","Dalton transactions (Cambridge, England : 2003)","2006","","43","5118","5123","10.1039/b608410a","","","0.71073","MoKα","","0.0413","0.0283","","","0.0634","0.0675","","","","","","1.023","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007659","11.8255","0.0011","12.5118","0.0012","16.3372","0.0016","98.855","0.002","104.043","0.002","117.894","0.002","1969.1","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 Cl5 Mo2 N12 -","- C30 H52 Cl5 Mo2 N12 -","- C60 H104 Cl10 Mo4 N24 -","2","1","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Strong reducing agents containing dimolybdenum Mo2(4+) units and their oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic guanidinate anions with a seven-membered ring.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4623","4631","10.1039/b608422b","","","0.71073","MoKα","","0.0586","0.0408","","","0.1098","0.1198","","","","","","1.142","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007660","10.0675","0.0015","10.0675","0.0015","15.797","0.005","90","","90","","90","","1601.1","0.6","213","2","213","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H48 Cl2 Mo2 N12 -","- C28 H48 Cl2 Mo2 N12 -","- C56 H96 Cl4 Mo4 N24 -","2","0.125","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Strong reducing agents containing dimolybdenum Mo2(4+) units and their oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic guanidinate anions with a seven-membered ring.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4623","4631","10.1039/b608422b","","","0.71073","MoKα","","0.0502","0.0366","","","0.0763","0.0825","","","","","","1.159","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007661","20.211","0.003","8.9627","0.0014","19.641","0.003","90","","91.168","0.003","90","","3557.1","0.9","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H56 Mo2 N12 -","- C32 H56 Mo2 N12 -","- C128 H224 Mo8 N48 -","4","0.5","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Strong reducing agents containing dimolybdenum Mo2(4+) units and their oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic guanidinate anions with a seven-membered ring.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4623","4631","10.1039/b608422b","","","0.71073","MoKα","","0.0627","0.051","","","0.1292","0.1384","","","","","","1.11","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007662","14.1897","0.001","14.1897","0.001","17.504","0.003","90","","90","","90","","3524.4","0.7","110","2","110","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C32 H56 Cl Mo2 N12 -","- C32 H56 Cl Mo2 N12 -","- C128 H224 Cl4 Mo8 N48 -","4","0.25","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Strong reducing agents containing dimolybdenum Mo2(4+) units and their oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic guanidinate anions with a seven-membered ring.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4623","4631","10.1039/b608422b","","","1.54178","CuKα","","0.0892","0.0362","","","0.086","0.1307","","","","","","0.925","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007663","5.042","0.002","8.429","0.004","8.108","0.004","90","","104.748","0.008","90","","333.2","0.3","213","2","213","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H10 N2 S -","- C5 H10 N2 S -","- C10 H20 N4 S2 -","2","0.5","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Strong reducing agents containing dimolybdenum Mo2(4+) units and their oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic guanidinate anions with a seven-membered ring.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4623","4631","10.1039/b608422b","","","0.71073","MoKα","","0.0463","0.0428","","","0.1129","0.1166","","","","","","1.158","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007664","8.924","0.003","10.537","0.003","11.061","0.003","90","","90","","90","","1040.1","0.5","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-methylmercapto-delta$2!-1,3-diazacycloheptane","2-methylmercapto-delta^2^-1,3-diazacycloheptane","","- C6 H13 I N2 S -","- C6 H13 I N2 S -","- C24 H52 I4 N8 S4 -","4","1","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Strong reducing agents containing dimolybdenum Mo2(4+) units and their oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic guanidinate anions with a seven-membered ring.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4623","4631","10.1039/b608422b","","","0.71073","MoKα","","0.0187","0.0184","","","0.0457","0.0461","","","","","","1.128","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007665","9.4816","0.0012","9.6131","0.0013","14.523","0.0019","98.683","0.002","91.42","0.002","115.187","0.002","1178.3","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H18 I N3 O -","- C8 H18 I N3 O -","- C32 H72 I4 N12 O4 -","4","2","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Strong reducing agents containing dimolybdenum Mo2(4+) units and their oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic guanidinate anions with a seven-membered ring.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4623","4631","10.1039/b608422b","","","0.71073","MoKα","","0.0293","0.0245","","","0.0612","0.0654","","","","","","1.1","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007666","16.595","0.003","10.949","0.002","9.8457","0.0018","90","","103.995","0.003","90","","1735.8","0.5","213","2","213","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 N3 -","- C8 H15 N3 -","- C64 H120 N24 -","8","2","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Strong reducing agents containing dimolybdenum Mo2(4+) units and their oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic guanidinate anions with a seven-membered ring.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4623","4631","10.1039/b608422b","","","0.71073","MoKα","","0.0629","0.0504","","","0.1439","0.1537","","","","","","1.109","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007667","5.937","0.003","8.52","0.005","8.671","0.005","67.41","0.009","73.543","0.01","71.57","0.009","377.6","0.4","213","2","213","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H13 N3 -","- C7 H13 N3 -","- C14 H26 N6 -","2","1","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Strong reducing agents containing dimolybdenum Mo2(4+) units and their oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic guanidinate anions with a seven-membered ring.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4623","4631","10.1039/b608422b","","","0.71073","MoKα","","0.0588","0.0541","","","0.1547","0.1591","","","","","","1.12","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007668","12.0129","0.0003","20.2339","0.0004","11.7239","0.0002","90","","90","","90","","2849.7","0.1","150","2","150","2","","","","","","","synthesis as described","6","A b a 2","A 2 -2ab","41","","","","- C19 H30 Cl2 I2 P2 Se2 -","- C19 H30 Cl2 I2 P2 Se2 -","- C76 H120 Cl8 I8 P8 Se8 -","4","","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.","The reaction of tertiary phosphines with (Ph2Se2I2)2‒the influence of steric and electronic effects.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4795","4804","10.1039/b608453b","","x-ray","0.71073","MoKα","","0.0259","0.0233","","","0.0473","0.0481","","","","","","1.074","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007669","9.523","0.002","11.1159","0.001","13.429","0.002","96.78","0.02","103.11","0.02","112.67","0.02","1243.7","0.4","203","2","203","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C27 H26 I P Se -","- C27 H26 I P Se -","- C54 H52 I2 P2 Se2 -","2","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.","The reaction of tertiary phosphines with (Ph2Se2I2)2‒the influence of steric and electronic effects.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4795","4804","10.1039/b608453b","","x-ray","0.71073","MoKα","","0.0462","0.031","","","0.0664","0.0721","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007670","9.424","0.004","11.877","0.005","13.986","0.007","87.32","0.02","80.04","0.02","68.418","0.016","1433.5","1.1","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C28 H28 Cl2 I O3 P Se -","- C28 H28 Cl2 I O3 P Se -","- C56 H56 Cl4 I2 O6 P2 Se2 -","2","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.","The reaction of tertiary phosphines with (Ph2Se2I2)2‒the influence of steric and electronic effects.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4795","4804","10.1039/b608453b","","x-ray","0.71073","MoKα","","0.1203","0.0815","","","0.1673","0.2001","","","","","","1.151","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007671","9.1482","0.0002","11.1968","0.0002","11.4776","0.0002","61.414","0.001","89.329","0.001","88.847","0.001","1032.13","0.04","133","2","133","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H21 I2 P -","- C21 H21 I2 P -","- C42 H42 I4 P2 -","2","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.","The reaction of tertiary phosphines with (Ph2Se2I2)2‒the influence of steric and electronic effects.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4795","4804","10.1039/b608453b","","x-ray","0.71073","MoKα","","0.0428","0.0356","","","0.0773","0.0828","","","","","","1.117","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007672","9.2013","0.0001","28.561","0.0004","11.8494","0.0002","90","","102.755","0.001","90","","3037.16","0.08","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 I3 P S3 Se -","- C27 H26 I3 P S3 Se -","- C108 H104 I12 P4 S12 Se4 -","4","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.","The reaction of tertiary phosphines with (Ph2Se2I2)2‒the influence of steric and electronic effects.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4795","4804","10.1039/b608453b","","x-ray","0.71073","MoKα","","0.1426","0.0666","","","0.0775","0.0933","","","","","","1.114","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007673","13.292","0.004","16.145","0.004","17.331","0.003","90","","90","","90","","3719.2","1.6","203","2","203","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 I P Se -","- C19 H18 I P Se -","- C152 H144 I8 P8 Se8 -","8","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.","The reaction of tertiary phosphines with (Ph2Se2I2)2‒the influence of steric and electronic effects.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4795","4804","10.1039/b608453b","","x-ray","0.71073","MoKα","","0.0973","0.0459","","","0.069","0.0822","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007674","21.908","0.003","10.4978","0.001","20.798","0.002","90","","116.58","0.02","90","","4277.7","1.1","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19.75 H19.5 Cl1.5 I P Se -","- C19.75 H19.5 Cl1.5 I P Se -","- C158 H156 Cl12 I8 P8 Se8 -","8","2","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.","The reaction of tertiary phosphines with (Ph2Se2I2)2‒the influence of steric and electronic effects.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4795","4804","10.1039/b608453b","","","0.71073","MoKα","","0.0876","0.0515","","","0.1321","0.1539","","","","","","0.988","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007675","13.38","0.005","17.163","0.003","11.366","0.002","101.268","0.018","91.44","0.03","79.573","0.019","2517.4","1.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","bis(2,9-dimethylphenanthroline)bis(1,4- bis(diphenylphosphino)butane) dicopper(i) bis(hexafluorophosphate) tetra benzene solvate","bis(2,9-dimethylphenanthroline)bis(1,4-bis(diphenylphosphino)butane) dicopper(I) bis(hexafluorophosphate) tetra benzene solvate","","- C108 H104 Cu2 F12 N4 P6 -","- C108 H104 Cu2 F12 N4 P6 -","- C108 H104 Cu2 F12 N4 P6 -","1","0.5","","Saito, Ken; Arai, Takashi; Takahashi, Naoki; Tsukuda, Toshiaki; Tsubomura, Taro","A series of luminescent Cu(I) mixed-ligand complexes containing 2,9-dimethyl-1,10-phenanthroline and simple diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4444","4448","10.1039/b608641a","","","0.71069","MoKα","","0.1333","0.0625","","","0.1374","0.1644","","","","","","1.017","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007676","17.2378","0.0009","15.4342","0.0007","28.7424","0.0014","90","","102.727","0.001","90","","7459.1","0.6","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","(1,4-bis(diphenylphosphino)propane)(2,9- dimethylphenanthroline) copper(i) (hexafluorophosphate)","(1,4-bis(diphenylphosphino)propane)(2,9-dimethylphenanthroline) copper(I) (hexafluorophosphate)","","- C82 H76 Cu2 F12 N4 P6 -","- C41 H38 Cu F6 N2 P3 -","- C328 H304 Cu8 F48 N16 P24 -","8","2","","Saito, Ken; Arai, Takashi; Takahashi, Naoki; Tsukuda, Toshiaki; Tsubomura, Taro","A series of luminescent Cu(I) mixed-ligand complexes containing 2,9-dimethyl-1,10-phenanthroline and simple diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4444","4448","10.1039/b608641a","","","0.7107","MoKα","","0.0771","0.0668","","","0.1367","0.1423","","","","","","1.22","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007677","5.4085","0.0004","8.135","0.0007","54.718","0.004","90","","92.49","0.001","90","","2405.2","0.3","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H86 Ca O8 S4 -","- C40 H86 Ca O8 S4 -","- C80 H172 Ca2 O16 S8 -","2","0.5","","Volkmer, Dirk; Mayr, Norbert; Fricke, Marc","Crystal structure analysis of [Ca(O3SC18H37)2(DMSO)2], a lamellar coordination polymer and its relevance for model studies in biomineralization.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4889","4895","10.1039/b608760d","","","0.71073","MoKα","","0.1066","0.0997","","","0.2274","0.2298","","","","","","1.309","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007678","18.805","0.002","6.3685","0.0003","12.865","0.001","90","","102.775","0.007","90","","1502.6","0.2","299","","","","","","","","","","Local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 N6 O18 U2 -","- C18 H36 N6 O18 U2 -","- C36 H72 N12 O36 U4 -","2","0.5","","Palladino, Giuseppe; Szabó, Zoltán; Fischer, Andreas; Grenthe, Ingmar","Structure, equilibrium and ligand exchange dynamics in the binary and ternary dioxouranium(VI)-ethylenediamine-N,N'-diacetic acid-fluoride system: A potentiometric, NMR and X-ray crystallographic study.","Dalton transactions (Cambridge, England : 2003)","2006","","43","5176","5183","10.1039/b608814g","","","0.71073","MoKα","","0.0416","0.023","","","0.0362","0.0403","","","","","","1.013","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007679","10.668","0.002","14.32","0.003","22.676","0.005","90","","102.72","0.03","90","","3379.1","1.3","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 Cl Fe N P Pd -","- C35 H53 Cl Fe N P Pd -","- C140 H212 Cl4 Fe4 N4 P4 Pd4 -","4","1","","Xu, Chen; Gong, Jun-Fang; Yue, Su-Fang; Zhu, Yu; Wu, Yang-Jie","Tricyclohexylphosphine-cyclopalladated ferrocenylimine complexes: synthesis, crystal structures and application in Suzuki and Heck reactions.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4730","4739","10.1039/b608825b","","","0.71073","MoKα","","0.0503","0.0317","","","0.0663","0.0696","","","","","","1.067","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007680","10.118","0.002","11.126","0.002","18.05","0.004","102.98","0.03","93.17","0.03","105.25","0.03","1896.1","0.8","291","2","291","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H50 Br Cl3 Fe N P Pd -","- C37 H50 Br Cl3 Fe N P Pd -","- C74 H100 Br2 Cl6 Fe2 N2 P2 Pd2 -","2","1","","Xu, Chen; Gong, Jun-Fang; Yue, Su-Fang; Zhu, Yu; Wu, Yang-Jie","Tricyclohexylphosphine-cyclopalladated ferrocenylimine complexes: synthesis, crystal structures and application in Suzuki and Heck reactions.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4730","4739","10.1039/b608825b","","","0.71073","MoKα","","0.0579","0.0428","","","0.1125","0.1192","","","","","","1.035","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007681","9.927","0.002","12.477","0.003","16.594","0.003","103","0.03","90.52","0.03","94.15","0.03","1996.7","0.8","291","2","291","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H55 Cl3 Fe N O P Pd -","- C39 H55 Cl3 Fe N O P Pd -","- C78 H110 Cl6 Fe2 N2 O2 P2 Pd2 -","2","1","","Xu, Chen; Gong, Jun-Fang; Yue, Su-Fang; Zhu, Yu; Wu, Yang-Jie","Tricyclohexylphosphine-cyclopalladated ferrocenylimine complexes: synthesis, crystal structures and application in Suzuki and Heck reactions.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4730","4739","10.1039/b608825b","","","0.71073","MoKα","","0.0614","0.0447","","","0.1181","0.1241","","","","","","1.037","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007682","10.319","0.002","11.27","0.002","18.101","0.004","78.72","0.03","74.37","0.03","68.02","0.03","1869.3","0.8","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H50 Cl4 Fe N P Pd -","- C37 H50 Cl4 Fe N P Pd -","- C74 H100 Cl8 Fe2 N2 P2 Pd2 -","2","1","","Xu, Chen; Gong, Jun-Fang; Yue, Su-Fang; Zhu, Yu; Wu, Yang-Jie","Tricyclohexylphosphine-cyclopalladated ferrocenylimine complexes: synthesis, crystal structures and application in Suzuki and Heck reactions.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4730","4739","10.1039/b608825b","","","0.71073","MoKα","","0.0798","0.0579","","","0.1297","0.1383","","","","","","1.036","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007683","10.115","0.002","11.148","0.002","17.938","0.004","102.77","0.03","92.87","0.03","105.73","0.03","1885.7","0.8","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H50 Cl4 Fe N P Pd -","- C37 H50 Cl4 Fe N P Pd -","- C74 H100 Cl8 Fe2 N2 P2 Pd2 -","2","1","","Xu, Chen; Gong, Jun-Fang; Yue, Su-Fang; Zhu, Yu; Wu, Yang-Jie","Tricyclohexylphosphine-cyclopalladated ferrocenylimine complexes: synthesis, crystal structures and application in Suzuki and Heck reactions.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4730","4739","10.1039/b608825b","","","0.71073","MoKα","","0.0625","0.0405","","","0.0708","0.0758","","","","","","1.02","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007684","22.8108","0.0007","24.1768","0.001","8.9796","0.0003","90","","90","","90","","4952.2","0.3","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C6 H21 B8 N -","- C6 H21 B8 N -","- C96 H336 B128 N16 -","16","1","","Janousek, Zbynek; Dostál, Radim; Machácek, Jan; Hnyk, Drahomír; Stíbr, Bohumil","The first member of the eleven-vertex azadicarbaborane series, 1,6,9-NC2B8H13, and its N-alkyl derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4664","4671","10.1039/b608857k","","","0.71073","MoKα","","0.0456","0.0378","","","0.0855","0.0893","","","","","","1.046","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007685","10.399","0.005","11.16","0.005","12.289","0.006","75.781","0.006","67.108","0.006","76.583","0.006","1258.6","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H56 B20 Cl4 N2 Ru2 S4 -","- C30 H56 B20 Cl4 N2 Ru2 S4 -","- C30 H56 B20 Cl4 N2 Ru2 S4 -","1","0.5","","Liu, Shuang; Zhang, Jiasheng; Wang, Xin; Jin, Guo-Xin","Synthesis and characterization of binuclear half-sandwich metal (Co, Ir and Ru) complexes containing ancillary ortho-carborane-1,2-dithiolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5225","5230","10.1039/b608934h","","","0.71073","MoKα","","0.0546","0.0456","","","0.1204","0.1255","","","","","","1.117","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007686","12.307","0.003","18.558","0.004","25.785","0.006","90","","93.006","0.004","90","","5881","2","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H59 B20 Cl3 Ir2 N4 O Se4 -","- C37 H59 B20 Cl3 Ir2 N4 O Se4 -","- C148 H236 B80 Cl12 Ir8 N16 O4 Se16 -","4","1","","Liu, Shuang; Zhang, Jiasheng; Wang, Xin; Jin, Guo-Xin","Synthesis and characterization of binuclear half-sandwich metal (Co, Ir and Ru) complexes containing ancillary ortho-carborane-1,2-dithiolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5225","5230","10.1039/b608934h","","","0.71073","MoKα","","0.0794","0.0405","","","0.0738","0.0801","","","","","","0.772","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007687","12.197","0.004","18.31","0.005","25.776","0.007","90","","94.502","0.005","90","","5739","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H60 B20 Cl2 Ir2 N4 O S4 -","- C37 H60 B20 Cl2 Ir2 N4 O S4 -","- C148 H240 B80 Cl8 Ir8 N16 O4 S16 -","4","1","","Liu, Shuang; Zhang, Jiasheng; Wang, Xin; Jin, Guo-Xin","Synthesis and characterization of binuclear half-sandwich metal (Co, Ir and Ru) complexes containing ancillary ortho-carborane-1,2-dithiolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5225","5230","10.1039/b608934h","","","0.71073","MoKα","","0.0688","0.0346","","","0.0508","0.0544","","","","","","0.708","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7007688","10.062","0.008","11.19","0.009","13.775","0.011","100.182","0.011","108.453","0.01","96.283","0.011","1425","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H62 B20 Cl4 Co2 N2 S4 -","- C36 H62 B20 Cl4 Co2 N2 S4 -","- C36 H62 B20 Cl4 Co2 N2 S4 -","1","0.5","","Liu, Shuang; Zhang, Jiasheng; Wang, Xin; Jin, Guo-Xin","Synthesis and characterization of binuclear half-sandwich metal (Co, Ir and Ru) complexes containing ancillary ortho-carborane-1,2-dithiolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5225","5230","10.1039/b608934h","","","0.71073","MoKα","","0.0712","0.0613","","","0.1785","0.1886","","","","","","1.078","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007689","8.024","0.003","11.157","0.004","13.317","0.004","95.035","0.005","91.109","0.005","110.409","0.004","1111.4","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H54 B20 Co2 N2 S4 -","- C28 H54 B20 Co2 N2 S4 -","- C28 H54 B20 Co2 N2 S4 -","1","0.5","","Liu, Shuang; Zhang, Jiasheng; Wang, Xin; Jin, Guo-Xin","Synthesis and characterization of binuclear half-sandwich metal (Co, Ir and Ru) complexes containing ancillary ortho-carborane-1,2-dithiolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5225","5230","10.1039/b608934h","","","0.71073","MoKα","","0.0939","0.043","","","0.0677","0.0724","","","","","","0.68","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007690","10.241","0.003","11.148","0.003","13.91","0.004","76.265","0.005","74.636","0.005","87.557","0.005","1487.2","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H76 B20 Co2 N2 O2 S4 -","- C44 H76 B20 Co2 N2 O2 S4 -","- C44 H76 B20 Co2 N2 O2 S4 -","1","0.5","","Liu, Shuang; Zhang, Jiasheng; Wang, Xin; Jin, Guo-Xin","Synthesis and characterization of binuclear half-sandwich metal (Co, Ir and Ru) complexes containing ancillary ortho-carborane-1,2-dithiolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5225","5230","10.1039/b608934h","","","0.71073","MoKα","","0.1383","0.079","","","0.1967","0.226","","","","","","0.947","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007691","11.987","0.005","14.073","0.005","14.947","0.006","77.82","0.03","87.67","0.04","83.96","0.03","2450.6","1.7","88","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H27.5 Cu4 F30 N2.5 O14.5 -","- C33.5 H27.5 Cu4 F30 N2.5 O14.5 -","- C67 H55 Cu8 F60 N5 O29 -","2","1","","Morishita, Yasuhiko; Kogane, Tamizo; Nogami, Takashi; Ishida, Takayuki","Double half-cubane copper(II) complexes available from copper(II) 1,1,1,5,5,5-hexafluoropentane-2,4-dionate dissolved in formamides.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4438","4443","10.1039/b609128h","","","0.71069","MoKα","","","0.0514","","","","0.0968","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007692","10.1392","0.0004","22.3013","0.0012","12.6048","0.0005","90","","93.4866","0.0012","90","","2844.9","0.2","100","1","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cu4 F24 N4 O16 -","- C40 H52 Cu4 F24 N4 O16 -","- C80 H104 Cu8 F48 N8 O32 -","2","0.5","","Morishita, Yasuhiko; Kogane, Tamizo; Nogami, Takashi; Ishida, Takayuki","Double half-cubane copper(II) complexes available from copper(II) 1,1,1,5,5,5-hexafluoropentane-2,4-dionate dissolved in formamides.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4438","4443","10.1039/b609128h","","","0.71069","MoKα","","","0.0398","","","","0.0572","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007693","10.509","0.0013","11.249","0.0012","12.1183","0.001","65.829","0.002","71.604","0.005","71.133","0.004","1208.6","0.2","100","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cu4 F30 N2 O18 -","- C28 H24 Cu4 F30 N2 O18 -","- C28 H24 Cu4 F30 N2 O18 -","1","0.5","","Morishita, Yasuhiko; Kogane, Tamizo; Nogami, Takashi; Ishida, Takayuki","Double half-cubane copper(II) complexes available from copper(II) 1,1,1,5,5,5-hexafluoropentane-2,4-dionate dissolved in formamides.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4438","4443","10.1039/b609128h","","","0.71069","MoKα","","","0.0447","","","","0.0868","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007694","13.2584","0.0002","15.6025","0.0004","37.266","0.001","88.171","0.001","87.83","0.002","83.907","0.002","7656.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H56 O20 P4 Pt2 Ru6 -","- C75 H56 O20 P4 Pt2 Ru6 -","- C300 H224 O80 P16 Pt8 Ru24 -","4","2","","Koshevoy, Igor O.; Haukka, Matti; Pakkanen, Tapani A.; Tunik, Sergey P.","Synthesis of nonanuclear heterometallic carbide clusters. Unexpected formation of the [Ru6(CO)16]2-[Pt2(CO)2(dppm)2]2+ ion pair on the way to [Ru6C(CO)16Pt3(dppm)2].","Dalton transactions (Cambridge, England : 2003)","2006","","47","5641","5647","10.1039/b609253e","","","0.71073","MoKα","","0.0877","0.0518","","","0.0896","0.0983","","","","","","1.109","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007695","14.4758","0.0002","26.44","0.0003","19.4421","0.0003","90","","90.263","0.003","90","","7441.19","0.18","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H48 Cl4 O16 P4 Pt2 Rh2 Ru5 -","- C69 H48 Cl4 O16 P4 Pt2 Rh2 Ru5 -","- C276 H192 Cl16 O64 P16 Pt8 Rh8 Ru20 -","4","1","","Koshevoy, Igor O.; Haukka, Matti; Pakkanen, Tapani A.; Tunik, Sergey P.","Synthesis of nonanuclear heterometallic carbide clusters. Unexpected formation of the [Ru6(CO)16]2-[Pt2(CO)2(dppm)2]2+ ion pair on the way to [Ru6C(CO)16Pt3(dppm)2].","Dalton transactions (Cambridge, England : 2003)","2006","","47","5641","5647","10.1039/b609253e","","","0.71073","MoKα","","0.0528","0.0381","","","0.0839","0.0887","","","","","","1.071","","","","has coordinates,has disorder","179780","2020-10-21","18:00:00",""
"7007696","7.282","0.003","14.055","0.005","16.987","0.006","65.704","0.005","89.155","0.006","75.27","0.006","1524.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H40 N3 O15 Ta -","- C21 H40 N3 O15 Ta -","- C42 H80 N6 O30 Ta2 -","2","1","","Camporese, Davide; Riondato, Mattia; Zampieri, Alberto; Marchiò, Luciano; Tapparo, Andrea; Mazzi, Ulderico","Tris(1,2-dimethyl-3-hydroxy-4(1H)-pyridone)oxotantalum(v): a new water-soluble tantalum complex containing the [Ta=O]3+ core.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4343","4347","10.1039/b609348e","","","0.71073","MoKα","","0.0496","0.0375","","","0.0833","0.0872","","","","","","1.011","","","","has coordinates","189495","2020-10-21","18:00:00",""
"7007697","10.6582","0.0002","15.0716","0.0004","21.1627","0.0004","90","","90","","90","","3399.49","0.13","100","2","100","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H32 Cl2 N O3 P3 Pd -","- C37 H32 Cl2 N O3 P3 Pd -","- C148 H128 Cl8 N4 O12 P12 Pd4 -","4","1","","Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José; Nebra, Noel; Rubio-García, Javier","Synthesis and reactivity studies of palladium(II) complexes containing the N-phosphorylated iminophosphorane-phosphine ligands Ph2PCH2P{=NP(=O)(OR)2}Ph2 (R=Et, Ph): application to the catalytic synthesis of 2,3-dimethylfuran.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5593","5604","10.1039/b609359k","","","1.5418","CuKα","","0.0419","0.0375","","","0.0914","0.0936","","","","","","0.996","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007698","13.6438","0.0001","14.8151","0.0002","23.1199","0.0002","90","","122.635","0.005","90","","3935.5","0.2","293","2","293","2","","","","","","","synthesis","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H41 Cl2 N2 O3 P3 Pd -","- C38 H41 Cl2 N2 O3 P3 Pd -","- C152 H164 Cl8 N8 O12 P12 Pd4 -","4","1","","Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José; Nebra, Noel; Rubio-García, Javier","Synthesis and reactivity studies of palladium(II) complexes containing the N-phosphorylated iminophosphorane-phosphine ligands Ph2PCH2P{=NP(=O)(OR)2}Ph2 (R=Et, Ph): application to the catalytic synthesis of 2,3-dimethylfuran.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5593","5604","10.1039/b609359k","","","1.5418","CuKα","","0.0526","0.0474","","","0.1286","0.1348","","","","","","1.053","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007699","9.5971","0.0002","9.9089","0.0002","17.5208","0.0004","102.332","0.001","98.427","0.001","109.956","0.001","1485.66","0.06","200","2","200","2","","","","","","","synthesis","7","P -1","-P 1","2","","","","- C58 H64 Cl2 N2 O6 P6 Pd -","- C58 H64 Cl2 N2 O6 P6 Pd -","- C58 H64 Cl2 N2 O6 P6 Pd -","1","0.5","","Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José; Nebra, Noel; Rubio-García, Javier","Synthesis and reactivity studies of palladium(II) complexes containing the N-phosphorylated iminophosphorane-phosphine ligands Ph2PCH2P{=NP(=O)(OR)2}Ph2 (R=Et, Ph): application to the catalytic synthesis of 2,3-dimethylfuran.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5593","5604","10.1039/b609359k","","","1.5418","CuKα","","0.0451","0.0374","","","0.1072","0.1376","","","","","","1.105","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007700","12.5698","0.0004","13.6979","0.0004","21.398","0.0007","82.941","0.002","86.073","0.002","75.89","0.002","3543.22","0.19","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H68 Cl4 F12 N2 O6 P6 Pd Sb2 -","- C60 H68 Cl4 F12 N2 O6 P6 Pd Sb2 -","- C120 H136 Cl8 F24 N4 O12 P12 Pd2 Sb4 -","2","1","","Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José; Nebra, Noel; Rubio-García, Javier","Synthesis and reactivity studies of palladium(II) complexes containing the N-phosphorylated iminophosphorane-phosphine ligands Ph2PCH2P{=NP(=O)(OR)2}Ph2 (R=Et, Ph): application to the catalytic synthesis of 2,3-dimethylfuran.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5593","5604","10.1039/b609359k","","","1.5418","CuKα","","0.0805","0.0631","","","0.1667","0.18","","","","","","1.047","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007701","30.521","0.006","24.201","0.005","7.804","0.0016","90","","90","","90","","5764","2","180","","180","","","","","","","","synthesis as described","6","P b a 2","P 2 -2ab","32","","","","- C25 H35 Br Mn2 N2 O8 -","- C25 H35 Br Mn2 N2 O8 -","- C200 H280 Br8 Mn16 N16 O64 -","8","2","","Moreno, Diego; Palopoli, Claudia; Daier, Verónica; Shova, Sergiu; Vendier, Laure; Sierra, Manuel González; Tuchagues, Jean-Pierre; Signorella, Sandra","Synthesis, structure and catalase-like activity of dimanganese(III) complexes of 1,5-bis(X-salicylidenamino)pentan-3-ol (X = 3- and 5-methyl). Influence of phenyl-ring substituents on catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2006","","43","5156","5166","10.1039/b609366c","","","0.71073","MoKα","","0.097","0.0466","","","0.0854","0.1002","","","","","","0.891","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007702","14.1784","0.0013","20.5223","0.0014","10.1765","0.0007","90","","90","","90","","2961.1","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H37 Br Mn2 N2 O8 -","- C26 H37 Br Mn2 N2 O8 -","- C104 H148 Br4 Mn8 N8 O32 -","4","0.5","","Moreno, Diego; Palopoli, Claudia; Daier, Verónica; Shova, Sergiu; Vendier, Laure; Sierra, Manuel González; Tuchagues, Jean-Pierre; Signorella, Sandra","Synthesis, structure and catalase-like activity of dimanganese(III) complexes of 1,5-bis(X-salicylidenamino)pentan-3-ol (X = 3- and 5-methyl). Influence of phenyl-ring substituents on catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2006","","43","5156","5166","10.1039/b609366c","","","0.71073","MoKα","","0.085","0.0703","","","0.1557","0.1617","","","","","","1.077","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007703","7.778","0.0007","8.9085","0.0008","15.9926","0.0014","102.564","0.005","96.494","0.005","96.263","0.006","1064.4","0.17","224","2","224","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H54 Cu2 F6 N6 O10 S2 -","- C32 H54 Cu2 F6 N6 O10 S2 -","- C32 H54 Cu2 F6 N6 O10 S2 -","1","0.5","","Kretz, Tonia; Bats, Jan W.; Losi, Serena; Wolf, Bernd; Lerner, Hans-Wolfram; Lang, Michael; Zanello, Piero; Wagner, Matthias","Hydroquinone-bridged dinuclear Cu(II) complexes and single-crystalline Cu(II) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4914","4921","10.1039/b609426k","","","0.71073","MoKα","","0.1315","0.0573","","","0.1123","0.1352","","","","","","1.026","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007704","8.0083","0.0012","12.3677","0.0014","13.1673","0.0019","63.661","0.014","88.82","0.013","77.488","0.011","1136.7","0.3","155","2","155","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H48 Cu2 F6 N8 O12 S2 -","- C36 H48 Cu2 F6 N8 O12 S2 -","- C36 H48 Cu2 F6 N8 O12 S2 -","1","0.5","","Kretz, Tonia; Bats, Jan W.; Losi, Serena; Wolf, Bernd; Lerner, Hans-Wolfram; Lang, Michael; Zanello, Piero; Wagner, Matthias","Hydroquinone-bridged dinuclear Cu(II) complexes and single-crystalline Cu(II) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4914","4921","10.1039/b609426k","","","0.71073","MoKα","","0.0699","0.0407","","","0.079","0.0877","","","","","","1.084","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007705","7.873","0.0009","11.3337","0.0017","12.3291","0.0015","110.619","0.005","96.191","0.006","96.164","0.005","1011.1","0.2","157","2","157","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H48 B2 Cu2 F8 N8 O6 -","- C34 H48 B2 Cu2 F8 N8 O6 -","- C34 H48 B2 Cu2 F8 N8 O6 -","1","0.5","","Kretz, Tonia; Bats, Jan W.; Losi, Serena; Wolf, Bernd; Lerner, Hans-Wolfram; Lang, Michael; Zanello, Piero; Wagner, Matthias","Hydroquinone-bridged dinuclear Cu(II) complexes and single-crystalline Cu(II) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4914","4921","10.1039/b609426k","","","0.71073","MoKα","","0.1953","0.0804","","","0.1101","0.139","","","","","","0.973","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007706","3.7682","0.0003","3.7682","0.0003","15.5478","0.0013","90","","90","","90","","220.77","0.03","293","2","293","2","","","","","","","","2","I 4/m m m","-I 4 2","139","Ru4 Zn12","Ru4 Zn12","","- Ru Zn3 -","- Ru Zn3 -","- Ru4 Zn12 -","4","0.125","","Allio, Céline; Harbrecht, Bernd","Synthesis, crystal structure and some physical properties of RuZn3.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5352","5356","10.1039/b609434a","","","0.71073","MoKα","","0.0197","0.018","","","0.0564","0.0568","","","","","","1.074","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007707","7.645","0.002","15.062","0.003","16.524","0.004","75.695","0.009","77.65","0.01","82.034","0.009","1793.7","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H44 Br5 N7 O2 -","- C26 H39 Br5 N7 O2 -","- C52 H78 Br10 N14 O4 -","2","1","","Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Borsari, Lucia; Danesi, Andrea; Giorgi, Claudia; Mariani, Palma; Pina, Fernando; Santarelli, Samuele; Valtancoli, Barbara","Coordination features of a terpyridine-containing polyamine receptor. Effect of protonation on the photophysical properties of the complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5743","5752","10.1039/b609462g","","","1.5418","CuKα","","0.1105","0.0606","","","0.1435","0.185","","","","","","0.625","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007708","10.026","0.001","11.965","0.001","15.417","0.001","75.701","0.003","78.955","0.004","84.782","0.004","1757.1","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Cd Cl3 N7 O14 -","- C26 H35 Cd Cl3 N7 O14 -","- C52 H70 Cd2 Cl6 N14 O28 -","2","1","","Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Borsari, Lucia; Danesi, Andrea; Giorgi, Claudia; Mariani, Palma; Pina, Fernando; Santarelli, Samuele; Valtancoli, Barbara","Coordination features of a terpyridine-containing polyamine receptor. Effect of protonation on the photophysical properties of the complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5743","5752","10.1039/b609462g","","","0.71069","MoKα","","0.0746","0.071","","","0.184","0.1886","","","","","","1.037","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007709","13.005","0.003","14.517","0.004","17.229","0.005","90","","90.84","0.02","90","","3252.4","1.5","298","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C26 H36 Br Cl2 N7 O8 Pb -","- C26 H35 Br Cl2 N7 O8 Pb -","- C104 H140 Br4 Cl8 N28 O32 Pb4 -","4","1","","Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Borsari, Lucia; Danesi, Andrea; Giorgi, Claudia; Mariani, Palma; Pina, Fernando; Santarelli, Samuele; Valtancoli, Barbara","Coordination features of a terpyridine-containing polyamine receptor. Effect of protonation on the photophysical properties of the complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5743","5752","10.1039/b609462g","","","0.71069","MoKα","","0.2477","0.0523","","","0.0843","0.1148","","","","","","0.633","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007710","15.4223","0.0012","10.8193","0.0008","17.8969","0.0014","90","","90","","90","","2986.2","0.4","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","bis(1,8-bis(dimethylamino)naphth-2-yl)(phenyl)phosphine","bis(1,8-bis(dimethylamino)naphth-2-yl)(phenyl)phosphine","","- C34 H39 N4 P -","- C34 H39 N4 P -","- C136 H156 N16 P4 -","4","1","","Farrer, Nicola J.; McDonald, Robert; McIndoe, J. Scott","Proton sponge phosphines: electrospray-active ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4570","4579","10.1039/b609561e","","","0.71073","MoKα","","0.0657","0.0503","","","0.1269","0.1374","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007711","17.122","0.0003","10.1292","0.0002","25.3141","0.0005","90","","93.809","0.001","90","","4380.58","0.14","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N2 P -","- C26 H27 N2 P -","- C208 H216 N16 P8 -","8","2","","Farrer, Nicola J.; McDonald, Robert; McIndoe, J. Scott","Proton sponge phosphines: electrospray-active ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4570","4579","10.1039/b609561e","","","0.71073","MoKα","","0.1071","0.0547","","","0.1137","0.1348","","","","","","1.023","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007712","16.0283","0.0003","7.1814","0.0001","22.538","0.0006","90","","98.963","0.001","90","","2562.57","0.09","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Br N2 O P -","- C28 H33 Br N2 O P -","- C112 H132 Br4 N8 O4 P4 -","4","1","","Farrer, Nicola J.; McDonald, Robert; McIndoe, J. Scott","Proton sponge phosphines: electrospray-active ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4570","4579","10.1039/b609561e","","","0.71073","MoKα","","0.0862","0.0546","","","0.117","0.1292","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007713","10.57","0.0009","15.0412","0.0013","17.6505","0.0016","90","","104.258","0.0011","90","","2719.7","0.4","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","?","- C120 H108 Fe4 N8 O16 P4 -","- C120 H108 Fe4 N8 O16 P4 -","","","","Farrer, Nicola J.; McDonald, Robert; McIndoe, J. Scott","Proton sponge phosphines: electrospray-active ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4570","4579","10.1039/b609561e","","","","","","","","","","","","","","","","","","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007714","14.5082","0.0001","16.0768","0.0002","29.9895","0.0002","90","","90","","90","","6994.91","0.11","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(Pd(1)I)2","","","- C32 H36 I2 P2 Pd2 S2 -","- C31.99 H35.99 I2 P2 Pd2 S2 -","- C255.92 H287.92 I16 P16 Pd16 S16 -","8","1","","Dervisi, Athanasia; Koursarou, Despina; Ooi, Li-Ling; Horton, Peter N.; Hursthouse, Michael B.","Synthesis and characterisation of benzyl phosphino-thioether and -thiolato Pd(II) complexes and their applications in Suzuki coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5717","5724","10.1039/B609607G","","","0.71073","MoKα","","0.0595","0.0367","","","0.0776","0.086","","","","","","1.032","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007715","14.7145","0.0002","13.2355","0.0002","14.8381","0.0002","90","","112.77","0.001","90","","2664.56","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd(3)Cl2.CHCl3","","","- C24 H26 Cl5 P Pd S -","- C24 H26 Cl5 P Pd S -","- C96 H104 Cl20 P4 Pd4 S4 -","4","1","","Dervisi, Athanasia; Koursarou, Despina; Ooi, Li-Ling; Horton, Peter N.; Hursthouse, Michael B.","Synthesis and characterisation of benzyl phosphino-thioether and -thiolato Pd(II) complexes and their applications in Suzuki coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5717","5724","10.1039/B609607G","","","0.71073","MoKα","","0.0497","0.035","","","0.0761","0.0817","","","","","","1.02","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007716","14.029","0.002","12.6","0.002","14.87","0.003","90","","109.835","0.001","90","","2472.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Pd(4)Cl2)","","","- C25 H29 Cl2 P Pd S -","- C25 H29 Cl2 P Pd S -","- C100 H116 Cl8 P4 Pd4 S4 -","4","1","","Dervisi, Athanasia; Koursarou, Despina; Ooi, Li-Ling; Horton, Peter N.; Hursthouse, Michael B.","Synthesis and characterisation of benzyl phosphino-thioether and -thiolato Pd(II) complexes and their applications in Suzuki coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5717","5724","10.1039/B609607G","","","0.71073","MoKα","","0.049","0.0355","","","0.0802","0.0856","","","","","","1.034","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007717","9.9134","0.0003","11.6302","0.0005","11.7817","0.0004","102.154","0.002","99.477","0.002","103.735","0.002","1256.57","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Cl2 P Pd S -","- C27 H27 Cl2 P Pd S -","- C54 H54 Cl4 P2 Pd2 S2 -","2","1","","Dervisi, Athanasia; Koursarou, Despina; Ooi, Li-Ling; Horton, Peter N.; Hursthouse, Michael B.","Synthesis and characterisation of benzyl phosphino-thioether and -thiolato Pd(II) complexes and their applications in Suzuki coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5717","5724","10.1039/B609607G","","","0.71073","MoKα","","0.0437","0.0341","","","0.0745","0.0785","","","","","","1.056","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007718","6.3158","0.001","8.6984","0.0014","13.841","0.002","101.945","0.002","91.645","0.003","98.646","0.003","734.1","0.2","173","2","273","2","","","","","","","","4","P -1","-P 1","2","05325fix","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Fritsch, Joseph M.; Thoreson, Kristen A.; McNeill, Kristopher","Synthesis and structures of acyclic monoanionic tetradentate aza beta-diketiminate complexes of magnesium, zinc, and cadmium.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4814","4820","10.1039/b609616f","","","0.71073","MoKα","","0.0572","0.0432","","","0.1095","0.1178","","","","","","0.938","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007719","11.4241","0.0018","6.137","0.001","11.8007","0.0018","90","","116.708","0.002","90","","739.1","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","05327","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Fritsch, Joseph M.; Thoreson, Kristen A.; McNeill, Kristopher","Synthesis and structures of acyclic monoanionic tetradentate aza beta-diketiminate complexes of magnesium, zinc, and cadmium.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4814","4820","10.1039/b609616f","","","0.71073","MoKα","","0.0446","0.0326","","","0.074","0.0811","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007720","9.032","0.003","12.744","0.004","14.414","0.004","113.725","0.003","104.61","0.003","95.018","0.003","1436","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","06072b","","","- C31 H26 Cd Cl2 N4 O2 -","- C31 H26 Cd Cl2 N4 O2 -","- C62 H52 Cd2 Cl4 N8 O4 -","2","1","","Fritsch, Joseph M.; Thoreson, Kristen A.; McNeill, Kristopher","Synthesis and structures of acyclic monoanionic tetradentate aza beta-diketiminate complexes of magnesium, zinc, and cadmium.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4814","4820","10.1039/b609616f","","","0.71073","MoKα","","0.0607","0.0466","","","0.1106","0.1164","","","","","","1.053","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007721","6.6796","0.0012","15.052","0.003","11.681","0.002","90","","91.041","0.003","90","","1174.2","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","05329m","","","- C28 H21 Br Mg N4 -","- C28 H21 Br Mg N4 -","- C56 H42 Br2 Mg2 N8 -","2","1","","Fritsch, Joseph M.; Thoreson, Kristen A.; McNeill, Kristopher","Synthesis and structures of acyclic monoanionic tetradentate aza beta-diketiminate complexes of magnesium, zinc, and cadmium.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4814","4820","10.1039/b609616f","","","0.71073","MoKα","","0.1038","0.0809","","","0.2126","0.2355","","","","","","1.098","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007722","9.1946","0.0013","10.9583","0.0016","12.482","0.0018","96.338","0.002","96.555","0.002","113.305","0.002","1130.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 Cl N4 Zn -","- C28 H21 Cl N4 Zn -","- C56 H42 Cl2 N8 Zn2 -","2","1","","Fritsch, Joseph M.; Thoreson, Kristen A.; McNeill, Kristopher","Synthesis and structures of acyclic monoanionic tetradentate aza beta-diketiminate complexes of magnesium, zinc, and cadmium.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4814","4820","10.1039/b609616f","","","0.71073","MoKα","","0.0471","0.0375","","","0.075","0.0776","","","","","","1.128","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007723","7.55","0.002","17.238","0.005","14.203","0.004","90","","102.687","0.006","90","","1803.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Dinitrato(dibromoterpyrdine)copper(ii)","","","- C15 H9 Br2 Cu N5 O6 -","- C15 H9 Br2 Cu N5 O6 -","- C60 H36 Br8 Cu4 N20 O24 -","4","1","","Lam, Adrian K. Y.; Abrahams, Brendan F.; Grannas, Martin J.; McFadyen, W. David; O'Hair, Richard A J","Tuning the gas phase redox properties of copper(II) ternary complexes of terpyridines to control the formation of nucleobase radical cations.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5051","5061","10.1039/b609688c","","","0.71073","MoKα","","0.0781","0.0471","","","0.104","0.1172","","","","","","1.036","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007724","8.612","0.002","18.431","0.004","10.852","0.002","90","","103.82","0.005","90","","1672.6","0.6","293","2","130","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cu N4 O7 -","- C15 H16 Cu N4 O7 -","- C60 H64 Cu4 N16 O28 -","4","1","","Lam, Adrian K. Y.; Abrahams, Brendan F.; Grannas, Martin J.; McFadyen, W. David; O'Hair, Richard A J","Tuning the gas phase redox properties of copper(II) ternary complexes of terpyridines to control the formation of nucleobase radical cations.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5051","5061","10.1039/b609688c","","","0.71073","MoKα","","0.081","0.0573","","","0.1054","0.1128","","","","","","1.084","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007725","12.035","0.002","12.512","0.003","12.98","0.003","111.6","0.03","93.99","0.03","111.21","0.03","1647.2","0.9","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 Bi2 Cl6 N4 -","- C60 H56 Bi2 Cl6 N4 -","- C60 H56 Bi2 Cl6 N4 -","1","0.5","","Hill, Nicholas J.; Reeske, Gregor; Moore, Jennifer A.; Cowley, Alan H.","Complexes of 1,2-bis(aryl-imino)acenaphthene (Ar-BIAN) ligands with some heavy p-block elements.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4838","4844","10.1039/b609737e","","","0.71073","MoKα","","0.0371","0.0284","","","0.05","0.0517","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007726","11.36","0.005","18.133","0.005","20.186","0.005","97.092","0.005","100.491","0.005","96.647","0.005","4016","2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H86 Cl14 N4 Sn2 -","- C75 H86 Cl14 N4 Sn2 -","- C150 H172 Cl28 N8 Sn4 -","2","1","","Hill, Nicholas J.; Reeske, Gregor; Moore, Jennifer A.; Cowley, Alan H.","Complexes of 1,2-bis(aryl-imino)acenaphthene (Ar-BIAN) ligands with some heavy p-block elements.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4838","4844","10.1039/b609737e","","","0.71069","MoKα","","0.2047","0.0646","","","0.1323","0.1899","","","","","","0.971","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007727","34.4781","0.0006","10.9074","0.0002","22.4939","0.0005","90","","106.887","0.001","90","","8094.4","0.3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cl3 N2 Sb -","- C36 H40 Cl3 N2 Sb -","- C288 H320 Cl24 N16 Sb8 -","8","1","","Hill, Nicholas J.; Reeske, Gregor; Moore, Jennifer A.; Cowley, Alan H.","Complexes of 1,2-bis(aryl-imino)acenaphthene (Ar-BIAN) ligands with some heavy p-block elements.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4838","4844","10.1039/b609737e","","","0.71073","MoKα","","0.0743","0.0484","","","0.1273","0.1382","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007728","26.501","0.005","26.501","0.005","14.814","0.005","90","","90","","90","","10404","4","153","2","153","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C60 H56 F6 N4 P Tl -","- C60 H56 F6 N4 P Tl -","- C480 H448 F48 N32 P8 Tl8 -","8","0.5","","Hill, Nicholas J.; Reeske, Gregor; Moore, Jennifer A.; Cowley, Alan H.","Complexes of 1,2-bis(aryl-imino)acenaphthene (Ar-BIAN) ligands with some heavy p-block elements.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4838","4844","10.1039/b609737e","","","0.71069","MoKα","","0.1123","0.0355","","","0.0638","0.0822","","","","","","0.951","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007729","14.631","0.005","15.589","0.005","20.413","0.005","90","","93.09","0.005","90","","4649","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Cl3 In N2 O -","- C34 H36 Cl3 In N2 O -","- C136 H144 Cl12 In4 N8 O4 -","4","1","","Hill, Nicholas J.; Reeske, Gregor; Moore, Jennifer A.; Cowley, Alan H.","Complexes of 1,2-bis(aryl-imino)acenaphthene (Ar-BIAN) ligands with some heavy p-block elements.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4838","4844","10.1039/b609737e","","","0.71069","MoKα","","0.0718","0.0519","","","0.142","0.1488","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007730","14.361","0.005","17.001","0.006","20.092","0.007","69.969","0.004","73.69","0.004","86.817","0.005","4419","3","168","2","168","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H39 Ag1.5 Cl F9 N9 O0.5 P1.5 -","- C43 H39 Ag1.5 Cl F9 N9 O0.5 P1.5 -","- C172 H156 Ag6 Cl4 F36 N36 O2 P6 -","4","2","","Antonioli, Bianca; Bray, David J.; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Kataeva, Olga; Lindoy, Leonard F.; McMurtrie, John C.; Steel, Peter J.; Sumby, Christopher J.; Wenzel, Marco","Silver(I) complexation of linked 2,2'-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4783","4794","10.1039/b609738c","","","0.71073","MoKα","","0.1123","0.0495","","","0.106","0.124","","","","","","0.938","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007731","8.483","0.002","16.999","0.004","8.759","0.002","90","","115.643","0.003","90","","1138.7","0.5","168","2","168","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","0.5","","Antonioli, Bianca; Bray, David J.; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Kataeva, Olga; Lindoy, Leonard F.; McMurtrie, John C.; Steel, Peter J.; Sumby, Christopher J.; Wenzel, Marco","Silver(I) complexation of linked 2,2'-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4783","4794","10.1039/b609738c","","","0.71073","MoKα","","0.0445","0.0403","","","0.0988","0.1024","","","","","","1.063","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007732","8.8253","0.0018","10.437","0.002","14.732","0.003","85.759","0.002","84.787","0.002","70.861","0.002","1275.2","0.4","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Ag N7 O3 -","- C28 H24 Ag N7 O3 -","- C56 H48 Ag2 N14 O6 -","2","1","","Antonioli, Bianca; Bray, David J.; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Kataeva, Olga; Lindoy, Leonard F.; McMurtrie, John C.; Steel, Peter J.; Sumby, Christopher J.; Wenzel, Marco","Silver(I) complexation of linked 2,2'-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4783","4794","10.1039/b609738c","","","0.71073","MoKα","","0.0251","0.0234","","","0.0613","0.0626","","","","","","1.026","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007733","12.618","0.004","12.798","0.004","17.11","0.006","90","","106.394","0.004","90","","2650.7","1.5","168","2","168","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Ag B F4 N6 -","- C28 H24 Ag B F4 N6 -","- C112 H96 Ag4 B4 F16 N24 -","4","1","","Antonioli, Bianca; Bray, David J.; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Kataeva, Olga; Lindoy, Leonard F.; McMurtrie, John C.; Steel, Peter J.; Sumby, Christopher J.; Wenzel, Marco","Silver(I) complexation of linked 2,2'-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4783","4794","10.1039/b609738c","","","0.71073","MoKα","","0.0439","0.0278","","","0.0612","0.0663","","","","","","0.994","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007734","12.659","0.005","12.417","0.005","17.195","0.005","90","","106.291","0.005","90","","2594.3","1.6","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Ag N7 O3 -","- C28 H24 Ag N7 O3 -","- C112 H96 Ag4 N28 O12 -","4","1","","Antonioli, Bianca; Bray, David J.; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Kataeva, Olga; Lindoy, Leonard F.; McMurtrie, John C.; Steel, Peter J.; Sumby, Christopher J.; Wenzel, Marco","Silver(I) complexation of linked 2,2'-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4783","4794","10.1039/b609738c","","","0.71069","MoKα","","0.0267","0.0235","","","0.0576","0.0597","","","","","","1.092","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007735","8.623","0.003","25.164","0.009","14.262","0.005","90","","94.626","0.004","90","","3084.6","1.9","168","2","168","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 Ag F6 N6 O P -","- C29 H28 Ag F6 N6 O P -","- C116 H112 Ag4 F24 N24 O4 P4 -","4","0.5","","Antonioli, Bianca; Bray, David J.; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Kataeva, Olga; Lindoy, Leonard F.; McMurtrie, John C.; Steel, Peter J.; Sumby, Christopher J.; Wenzel, Marco","Silver(I) complexation of linked 2,2'-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4783","4794","10.1039/b609738c","","","0.71073","MoKα","","0.0637","0.057","","","0.1391","0.1418","","","","","","1.251","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007736","14.7918","0.0009","14.7643","0.0009","29.0604","0.0017","90","","94.881","0.001","90","","6323.5","0.7","168","2","168","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Ag3 F18 N12 O2 P3 -","- C56 H48 Ag3 F18 N12 O2 P3 -","- C224 H192 Ag12 F72 N48 O8 P12 -","4","1","","Antonioli, Bianca; Bray, David J.; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Kataeva, Olga; Lindoy, Leonard F.; McMurtrie, John C.; Steel, Peter J.; Sumby, Christopher J.; Wenzel, Marco","Silver(I) complexation of linked 2,2'-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4783","4794","10.1039/b609738c","","","0.71073","MoKα","","0.07","0.0488","","","0.1302","0.1418","","","","","","1.052","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007737","8.522","0.001","22.118","0.001","17.633","0.001","90","","103.41","0.01","90","","3233","0.5","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Ag Cl N8 O4 -","- C32 H30 Ag Cl N8 O4 -","- C128 H120 Ag4 Cl4 N32 O16 -","4","1","","Antonioli, Bianca; Bray, David J.; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Kataeva, Olga; Lindoy, Leonard F.; McMurtrie, John C.; Steel, Peter J.; Sumby, Christopher J.; Wenzel, Marco","Silver(I) complexation of linked 2,2'-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4783","4794","10.1039/b609738c","","","0.71073","MoKα","","0.0427","0.0266","","","0.0576","0.0626","","","","","","1.009","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007738","20.973","0.001","29.544","0.001","17.798","0.001","90","","90","","90","","11028.1","0.9","198","2","198","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C56 H52 Ag2 Cl2 N12 O10 -","- C56 H48 Ag2 Cl2 N12 O10 -","- C448 H384 Ag16 Cl16 N96 O80 -","8","1","","Antonioli, Bianca; Bray, David J.; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Kataeva, Olga; Lindoy, Leonard F.; McMurtrie, John C.; Steel, Peter J.; Sumby, Christopher J.; Wenzel, Marco","Silver(I) complexation of linked 2,2'-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4783","4794","10.1039/b609738c","","","0.71073","MoKα","","0.1161","0.0609","","","0.1363","0.1656","","","","","","1.056","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007739","9.218","0.001","11.011","0.001","12.294","0.001","104.89","0.01","95.32","0.01","108.07","0.01","1126.1","0.2","198","2","198","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","1","","Antonioli, Bianca; Bray, David J.; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Kataeva, Olga; Lindoy, Leonard F.; McMurtrie, John C.; Steel, Peter J.; Sumby, Christopher J.; Wenzel, Marco","Silver(I) complexation of linked 2,2'-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4783","4794","10.1039/b609738c","","","0.71073","MoKα","","0.056","0.0395","","","0.0958","0.1037","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007740","14.635","0.003","9.2483","0.0019","16.571","0.003","90","","90.094","0.003","90","","2242.9","0.8","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C112 H96 N24 -","4","1","","Antonioli, Bianca; Bray, David J.; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Kataeva, Olga; Lindoy, Leonard F.; McMurtrie, John C.; Steel, Peter J.; Sumby, Christopher J.; Wenzel, Marco","Silver(I) complexation of linked 2,2'-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4783","4794","10.1039/b609738c","","","0.71073","MoKα","","0.0361","0.0313","","","0.0692","0.08","","","","","","0.987","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007741","9.132","0.0015","12.801","0.002","15.264","0.003","81.91","0.003","81.998","0.003","71.44","0.003","1666.2","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H33 Ag N10 O3 -","- C39 H33 Ag N10 O3 -","- C78 H66 Ag2 N20 O6 -","2","1","","Antonioli, Bianca; Bray, David J.; Clegg, Jack K.; Gloe, Kerstin; Gloe, Karsten; Kataeva, Olga; Lindoy, Leonard F.; McMurtrie, John C.; Steel, Peter J.; Sumby, Christopher J.; Wenzel, Marco","Silver(I) complexation of linked 2,2'-dipyridylamine derivatives. Synthetic, solvent extraction, membrane transport and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4783","4794","10.1039/b609738c","","","0.71073","MoKα","","0.0665","0.0424","","","0.0846","0.0921","","","","","","1.032","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007742","9.22","0.0018","13.857","0.003","13.94","0.003","102.39","0.03","99.86","0.03","106.23","0.03","1618.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cl4 N6 Zn2 -","- C28 H22 Cl4 N6 Zn2 -","- C56 H44 Cl8 N12 Zn4 -","2","1","","Al-Rasbi, Nawal K; Sabatini, Cristiana; Barigelletti, Francesco; Ward, Michael D.","Red-shifted luminescence from naphthalene-containing ligands due to pi-stacking in self-assembled coordination cages.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4769","4772","10.1039/b609809f","","","0.71073","MoKα","","0.0307","0.0242","","","0.0611","0.0631","","","","","","1.034","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007743","13.3651","0.0002","27.1137","0.0003","16.4073","0.0002","90","","92.2254","0.001","90","","5941.15","0.13","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C63.53 H54.06 Cl4 N9 O5.63 Zn -","- C63.532 H54.0648 Cl4 N9 O5.633 Zn -","- C254.128 H216.259 Cl16 N36 O22.532 Zn4 -","4","1","","Cormode, David P.; Murray, Sean S.; Cowley, Andrew R.; Beer, Paul D.","Sulfate selective anion recognition by a novel tetra-imidazolium zinc metalloporphyrin receptor","Dalton Transactions","2006","","43","5135","","10.1039/b609817g","","","1.54248","CuKα","","0.127","0.0574","","0.0947","0.0671","0.0671","","","","","","1.1648","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007744","12.315","0.003","21.427","0.006","14.53","0.004","90","","94.822","0.007","90","","3820.5","1.8","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 F6 O4 P2 Pd2 -","- C40 H28 F6 O4 P2 Pd2 -","- C160 H112 F24 O16 P8 Pd8 -","4","1","","Koshevoy, Igor O.; Lahuerta, Pascual; Sanaú, Mercedes; Ubeda, M. Angeles; Doménech, Antonio","Dinuclear palladium(II) compounds with bridging cyclometalated phosphines. Synthesis, crystal structure and electrochemical study.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5536","5541","10.1039/b609829k","","","0.71073","MoKα","","0.1197","0.0479","","","0.1049","0.1262","","","","","","1.007","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007745","10.939","0.0003","15.932","0.0004","23.58","0.0006","90","","90","","90","","4109.53","0.19","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C46 H46 O4 P2 Pd2 -","- C46 H46 O4 P2 Pd2 -","- C184 H184 O16 P8 Pd8 -","4","0.5","","Koshevoy, Igor O.; Lahuerta, Pascual; Sanaú, Mercedes; Ubeda, M. Angeles; Doménech, Antonio","Dinuclear palladium(II) compounds with bridging cyclometalated phosphines. Synthesis, crystal structure and electrochemical study.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5536","5541","10.1039/b609829k","","","0.71073","MoKα","","0.1598","0.0958","","","0.2549","0.3301","","","","","","1.048","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007746","14.563","0.0001","14.911","0.0002","23.135","0.0003","95.546","0.0005","96.041","0.0005","113.122","0.0005","4541.94","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H28 F10 O4 P2 Pd2 -","- C50 H28 F10 O4 P2 Pd2 -","- C200 H112 F40 O16 P8 Pd8 -","4","2","","Koshevoy, Igor O.; Lahuerta, Pascual; Sanaú, Mercedes; Ubeda, M. Angeles; Doménech, Antonio","Dinuclear palladium(II) compounds with bridging cyclometalated phosphines. Synthesis, crystal structure and electrochemical study.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5536","5541","10.1039/b609829k","","","0.71073","MoKα","","0.1002","0.0614","","","0.1611","0.2005","","","","","","1.017","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007747","22.007","0.0009","9.754","0.0004","20.515","0.0011","90","","106.33","0.0018","90","","4226","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 F8 O4 P2 Pd2 -","- C40 H26 F8 O4 P2 Pd2 -","- C160 H104 F32 O16 P8 Pd8 -","4","0.5","","Koshevoy, Igor O.; Lahuerta, Pascual; Sanaú, Mercedes; Ubeda, M. Angeles; Doménech, Antonio","Dinuclear palladium(II) compounds with bridging cyclometalated phosphines. Synthesis, crystal structure and electrochemical study.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5536","5541","10.1039/b609829k","","","0.71073","MoKα","","0.1535","0.0856","","","0.2292","0.2757","","","","","","1.044","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007748","18.5977","0.0017","10.4861","0.001","19.4574","0.0017","90","","90","","90","","3794.5","0.6","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C40 H20 F14 O4 P2 Pd2 -","- C40 H20 F14 O4 P2 Pd2 -","- C160 H80 F56 O16 P8 Pd8 -","4","0.5","","Koshevoy, Igor O.; Lahuerta, Pascual; Sanaú, Mercedes; Ubeda, M. Angeles; Doménech, Antonio","Dinuclear palladium(II) compounds with bridging cyclometalated phosphines. Synthesis, crystal structure and electrochemical study.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5536","5541","10.1039/b609829k","","","0.71073","MoKα","","0.0689","0.0612","","","0.1073","0.1097","","","","","","1.293","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007749","7.171","0.003","11.379","0.004","13.922","0.004","90","","102.4","0.03","90","","1109.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","fac-tricarbonyl-tris(dimethylsulfoxide,O)-rhenium(i) triflate","fac-tricarbonyl-tris(dimethylsulfoxide,O)-rhenium(I) triflate","","- C10 H18 F3 O9 Re S4 -","- C10 H18 F3 O9 Re S4 -","- C20 H36 F6 O18 Re2 S8 -","2","0.5","","Casanova, Massimo; Zangrando, Ennio; Munini, Fabio; Iengo, Elisabetta; Alessio, Enzo","fac-[Re(CO)3(dmso-O)3](CF3SO3): a new versatile and efficient Re(I) precursor for the preparation of mono and polynuclear compounds containing fac-[Re(CO)3]+ fragments.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5033","5045","10.1039/b609853c","","","0.71073","Mokα","","0.0594","0.0483","","","0.1238","0.1348","","","","","","1.065","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007750","6.585","0.003","12.714","0.004","12.994","0.003","79.43","0.02","80.06","0.03","86.72","0.03","1053","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","mer-tricarbonyl-(dimethylsulfoxide,O)-(2,2'-bipyridine)- rhenium(i) triflate","mer-tricarbonyl-(dimethylsulfoxide,O)-(2,2'-bipyridine)-rhenium(I) triflate","","- C16 H14 F3 N2 O7 Re S2 -","- C16 H14 F3 N2 O7 Re S2 -","- C32 H28 F6 N4 O14 Re2 S4 -","2","1","","Casanova, Massimo; Zangrando, Ennio; Munini, Fabio; Iengo, Elisabetta; Alessio, Enzo","fac-[Re(CO)3(dmso-O)3](CF3SO3): a new versatile and efficient Re(I) precursor for the preparation of mono and polynuclear compounds containing fac-[Re(CO)3]+ fragments.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5033","5045","10.1039/b609853c","","","0.71073","Mokα","","0.0463","0.0378","","","0.0984","0.1016","","","","","","0.985","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007751","8.35","0.002","10.589","0.003","17.861","0.004","93.86","0.02","99.75","0.02","94.78","0.02","1545.7","0.7","210","2","210","2","","","","","","","","8","P -1","-P 1","2","mer-tricarbonyl-(4,4'-bipyridine,N)-(2,2'-bipyridine,N,N')- rhenium(i) triflate dichloromethane diethylether","mer-tricarbonyl-(4,4'-bipyridine,N)-(2,2'-bipyridine,N,N')-rhenium(I) triflate dichloromethane diethylether","","- C27 H23 Cl2 F3 N4 O6.5 Re S -","- C27 H18 Cl2 F3 N4 O6.5 Re S -","- C54 H36 Cl4 F6 N8 O13 Re2 S2 -","2","1","","Casanova, Massimo; Zangrando, Ennio; Munini, Fabio; Iengo, Elisabetta; Alessio, Enzo","fac-[Re(CO)3(dmso-O)3](CF3SO3): a new versatile and efficient Re(I) precursor for the preparation of mono and polynuclear compounds containing fac-[Re(CO)3]+ fragments.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5033","5045","10.1039/b609853c","","","1.54178","CuKα","","0.0453","0.0436","","","0.1142","0.1165","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007752","12.511","0.003","14.814","0.003","24.505","0.005","90","","90","","90","","4541.7","1.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","mer-tricarbonyl-(dimethylsulfoxide,O)-bis(pyridine)- rhenium(i) triflate","mer-tricarbonyl-(dimethylsulfoxide,O)-bis(pyridine)-rhenium(I) triflate","","- C16 H16 F3 N2 O7 Re S2 -","- C16 H16 F3 N2 O7 Re S2 -","- C128 H128 F24 N16 O56 Re8 S16 -","8","1","","Casanova, Massimo; Zangrando, Ennio; Munini, Fabio; Iengo, Elisabetta; Alessio, Enzo","fac-[Re(CO)3(dmso-O)3](CF3SO3): a new versatile and efficient Re(I) precursor for the preparation of mono and polynuclear compounds containing fac-[Re(CO)3]+ fragments.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5033","5045","10.1039/b609853c","","","0.71073","Mokα","","0.0749","0.034","","","0.068","0.076","","","","","","0.826","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007753","15.559","0.004","31.546","0.005","18.352","0.004","90","","103.76","0.03","90","","8749","3","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","mer-tricarbonyl-chloro-bis((5-(4'pyridyl)-10,15,20-triphenyl- porphyrin))‒rhenium(i) bis(diethylether) solvate","mer-tricarbonyl-chloro-bis[(5-(4'pyridyl)-10,15,20-triphenyl-porphyrin)]- -rhenium(I) bis(diethylether) solvate","","- C97 H78 Cl N10 O5 Re -","- C97 H58 Cl N10 O5 Re -","- C388 H232 Cl4 N40 O20 Re4 -","4","1","","Casanova, Massimo; Zangrando, Ennio; Munini, Fabio; Iengo, Elisabetta; Alessio, Enzo","fac-[Re(CO)3(dmso-O)3](CF3SO3): a new versatile and efficient Re(I) precursor for the preparation of mono and polynuclear compounds containing fac-[Re(CO)3]+ fragments.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5033","5045","10.1039/b609853c","","","1","synchrotron","","0.0666","0.0532","","","0.1581","0.1694","","","","","","1.054","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007754","9.234","0.003","18.285","0.004","14.514","0.004","90","","97.38","0.03","90","","2430.3","1.2","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(bis(tricarbonyl-rhenium(i))-(mu-hydroxo)-(4,4'- bipyridine,N,N') )-diethylether solvate","bis[bis(tricarbonyl-rhenium(I))-(mu-hydroxo)-(4,4'-bipyridine,N,N') ]- diethylether solvate","","- C36 H30 N4 O17 Re4 -","- C36 H30 N4 O17 Re4 -","- C72 H60 N8 O34 Re8 -","2","0.5","","Casanova, Massimo; Zangrando, Ennio; Munini, Fabio; Iengo, Elisabetta; Alessio, Enzo","fac-[Re(CO)3(dmso-O)3](CF3SO3): a new versatile and efficient Re(I) precursor for the preparation of mono and polynuclear compounds containing fac-[Re(CO)3]+ fragments.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5033","5045","10.1039/b609853c","","","0.71073","MoKα","","0.1148","0.0672","","","0.1737","0.2052","","","","","","0.991","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007755","15.7334","0.0005","10.8812","0.0004","15.7928","0.0006","90","","110.935","0.0014","90","","2525.22","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 B11 Cl2 N -","- C16 H38 B11 Cl2 N -","- C64 H152 B44 Cl8 N4 -","4","1","","Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.","Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5753","5769","10.1039/b609908d","","","0.71073","MoKα","","0.0863","0.0654","","","0.1568","0.1731","","","","","","1.048","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007756","24.4404","0.0016","10.5641","0.0006","16.7478","0.0014","90","","99.099","0.003","90","","4269.7","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H34 B9 N -","- C15 H34 B9 N -","- C120 H272 B72 N8 -","8","1","","Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.","Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5753","5769","10.1039/b609908d","","","0.71073","MoKα","","0.1567","0.0826","","","0.179","0.2285","","","","","","1.057","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007757","11.648","0.0003","10.5204","0.0003","17.5709","0.0006","90","","107.974","0.001","90","","2048.08","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 B8 N -","- C15 H33 B8 N -","- C60 H132 B32 N4 -","4","1","","Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.","Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5753","5769","10.1039/b609908d","","","0.71073","MoKα","","0.0911","0.0548","","","0.1432","0.1703","","","","","","1.027","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007758","9.5758","0.0002","16.5323","0.0004","12.2821","0.0003","90","","98.011","0.001","90","","1925.4","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H32 B7 N -","- C15 H32 B7 N -","- C60 H128 B28 N4 -","4","1","","Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.","Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5753","5769","10.1039/b609908d","","","0.71073","MoKα","","0.0639","0.0588","","","0.1483","0.152","","","","","","1.091","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007759","17.4206","0.0004","13.9339","0.0004","19.5909","0.0005","90","","113.534","0.0015","90","","4359.9","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H35 B10 N -","- C15 H35 B10 N -","- C120 H280 B80 N8 -","8","1","","Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.","Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5753","5769","10.1039/b609908d","","","0.71073","MoKα","","0.0958","0.0726","","","0.1829","0.2019","","","","","","1.035","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007760","18.6342","0.0004","10.2871","0.0002","23.4709","0.0005","90","","109.019","0.001","90","","4253.57","0.16","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H36 B9 N -","- C15 H36 B9 N -","- C120 H288 B72 N8 -","8","1","","Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.","Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5753","5769","10.1039/b609908d","","","0.71073","MoKα","","0.0742","0.0598","","","0.163","0.1763","","","","","","1.041","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007761","10.0208","0.0002","13.6557","0.0003","15.4382","0.0003","90","","90","","90","","2112.58","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H34 B9 N -","- C15 H34 B9 N -","- C60 H136 B36 N4 -","4","1","","Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.","Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5753","5769","10.1039/b609908d","","","0.71073","MoKα","","0.0525","0.0452","","","0.1158","0.1226","","","","","","1.035","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007762","12.9967","0.0005","10.1842","0.0003","17.101","0.0008","90","","100.303","0.001","90","","2227.01","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H36.65 B10.35 N -","- C15 H36.65 B10.35 N -","- C60 H146.6 B41.4 N4 -","4","1","","Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.","Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5753","5769","10.1039/b609908d","","","0.71073","MoKα","","0.0937","0.0628","","","0.1546","0.1772","","","","","","1.023","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007763","14.438","0.003","15.762","0.003","16.877","0.004","90","","90","","90","","3840.7","1.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[NEt4]+[2-Ph-closo-2-CB6H6]-","","- C15 H31 B6 N -","- C15 H31 B6 N -","- C120 H248 B48 N8 -","8","1","","Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.","Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5753","5769","10.1039/b609908d","","","0.6883","Synchrotron","","0.0807","0.0701","","","0.1792","0.1877","","","","","","1.091","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007764","13.0151","0.0003","10.2266","0.0003","16.9186","0.0005","90","","100.558","0.0013","90","","2213.75","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H36 B11 N -","- C15 H36 B11 N -","- C60 H144 B44 N4 -","4","1","","Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.","Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5753","5769","10.1039/b609908d","","x-ray","0.71073","MoKα","","0.095","0.0686","","","0.1641","0.1839","","","","","","1.036","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007765","10.2352","0.0002","16.9027","0.0005","25.6191","0.0009","90","","90","","90","","4432.2","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H36 B11 N -","- C15 H36 B11 N -","- C120 H288 B88 N8 -","8","1","","Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.","Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5753","5769","10.1039/b609908d","","x-ray","0.71073","MoKα","","0.1233","0.0615","","","0.1317","0.1646","","","","","","1.044","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007766","20.845","0.002","12.2298","0.0013","17.2467","0.0018","90","","95.285","0.009","90","","4378","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N4 O9 -","- C20 H26 N4 O9 -","- C160 H208 N32 O72 -","8","1","","Li, Feng; Delgado, Rita; Drew, Michael G. B.; Félix, Vítor","Dioxadiaza- and trioxadiaza-macrocycles containing one dibenzofuran unit selective for cadmium.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5396","5403","10.1039/b609937h","","","0.71073","MoKα","","0.122","0.0656","","","0.1626","0.1733","","","","","","0.927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007767","8.4122","0.0004","17.2444","0.0009","15.3981","0.0009","90","","91.138","0.005","90","","2233.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cd N4 O10 -","- C20 H26 Cd N4 O10 -","- C80 H104 Cd4 N16 O40 -","4","1","","Li, Feng; Delgado, Rita; Drew, Michael G. B.; Félix, Vítor","Dioxadiaza- and trioxadiaza-macrocycles containing one dibenzofuran unit selective for cadmium.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5396","5403","10.1039/b609937h","","","0.71073","MoKα","","0.0566","0.0352","","","0.071","0.0754","","","","","","1.063","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007768","12.9031","0.0007","14.2839","0.0008","18.0089","0.0011","90","","108.469","0.002","90","","3148.2","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","((L1)Cu(CH3CN))","[(L1)Cu(CH3CN)]","","- C31 H41 Cu F3 N3 -","- C31 H41 Cu F3 N3 -","- C124 H164 Cu4 F12 N12 -","4","1","","Hill, Lyndal M. R.; Gherman, Benjamin F.; Aboelella, Nermeen W.; Cramer, Christopher J.; Tolman, William B.","Electronic tuning of beta-diketiminate ligands with fluorinated substituents: effects on the O2-reactivity of mononuclear Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4944","4953","10.1039/b609939d","","","0.71073","MoKα","","0.0356","0.0303","","","0.0694","0.0714","","","","","","1.027","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007769","8.813","0.0014","15.86","0.003","11.4149","0.0018","90","","93.702","0.003","90","","1592.2","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","((L2)Cu(CH3CN))","[(L2)Cu(CH3CN)]","","- C31 H38 Cu F6 N3 -","- C31 H38 Cu F6 N3 -","- C62 H76 Cu2 F12 N6 -","2","1","","Hill, Lyndal M. R.; Gherman, Benjamin F.; Aboelella, Nermeen W.; Cramer, Christopher J.; Tolman, William B.","Electronic tuning of beta-diketiminate ligands with fluorinated substituents: effects on the O2-reactivity of mononuclear Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4944","4953","10.1039/b609939d","","","0.71073","MoKα","","0.0325","0.0276","","","0.0633","0.0654","","","","","","0.983","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007770","30.688","0.005","9.7321","0.0015","39.461","0.006","90","","96.026","0.003","90","","11720","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCu(CO)","","","- C30 H41 Cu N2 O -","- C30 H41 Cu N2 O -","- C480 H656 Cu16 N32 O16 -","16","4","","Hill, Lyndal M. R.; Gherman, Benjamin F.; Aboelella, Nermeen W.; Cramer, Christopher J.; Tolman, William B.","Electronic tuning of beta-diketiminate ligands with fluorinated substituents: effects on the O2-reactivity of mononuclear Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4944","4953","10.1039/b609939d","","","0.71073","MoKα","","0.0822","0.0535","","","0.0955","0.1047","","","","","","1.074","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007771","16.339","0.002","15.282","0.002","24.409","0.003","90","","90","","90","","6094.7","1.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(L2)Cu(CO)","","","- C30 H35 Cu F6 N2 O -","- C30 H35 Cu F6 N2 O -","- C240 H280 Cu8 F48 N16 O8 -","8","1","","Hill, Lyndal M. R.; Gherman, Benjamin F.; Aboelella, Nermeen W.; Cramer, Christopher J.; Tolman, William B.","Electronic tuning of beta-diketiminate ligands with fluorinated substituents: effects on the O2-reactivity of mononuclear Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4944","4953","10.1039/b609939d","","","0.71073","MoKα","","0.0871","0.047","","","0.0988","0.1148","","","","","","1.121","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007772","10.691","0.002","16.891","0.003","18.97","0.003","90","","98.238","0.003","90","","3390.3","1","120","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Co12 N4 O10.5 -","- C33 H43 Co2 N4 O10.5 -","- C132 H172 Co8 N16 O42 -","4","1","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; Corbella, Montserrat; El Fallah, M. Salah; Cano, Joan; Sanmartín, Jesús; Bermejo, Manuel R.","Dinuclear Co(III)/Co(III) and Co(II)/Co(III) mixed-valent complexes: synthetic control of the cobalt oxidation level.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4905","4913","10.1039/b609961k","","","0.71073","MoKα","","0.1123","0.0512","","","0.0999","0.1254","","","","","","1.001","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007773","10.469","0.002","11.682","0.002","28.92","0.006","90","","90.541","0.004","90","","3536.7","1.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H86 Co4 N8 O19 -","- C73.839 H85.22 Co4 N8 O18.94 -","- C147.678 H170.44 Co8 N16 O37.88 -","2","0.5","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; Corbella, Montserrat; El Fallah, M. Salah; Cano, Joan; Sanmartín, Jesús; Bermejo, Manuel R.","Dinuclear Co(III)/Co(III) and Co(II)/Co(III) mixed-valent complexes: synthetic control of the cobalt oxidation level.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4905","4913","10.1039/b609961k","","","0.71073","MoKα","","0.1146","0.0555","","","0.1184","0.1375","","","","","","0.996","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007774","9.962","0.002","15.323","0.003","21.652","0.005","90","","93.721","0.003","90","","3298.2","1.2","100","2","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Co2 N4 O10 -","- C33 H41 Co2 N4 O10 -","- C132 H164 Co8 N16 O40 -","4","1","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; Corbella, Montserrat; El Fallah, M. Salah; Cano, Joan; Sanmartín, Jesús; Bermejo, Manuel R.","Dinuclear Co(III)/Co(III) and Co(II)/Co(III) mixed-valent complexes: synthetic control of the cobalt oxidation level.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4905","4913","10.1039/b609961k","","","0.71073","MoKα","","0.0468","0.0337","","","0.0854","0.0901","","","","","","1.094","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007775","9.4577","0.0013","16.264","0.002","12.6521","0.0018","90","","99.856","0.002","90","","1917.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O5 Pb -","- C18 H17 N3 O5 Pb -","- C72 H68 N12 O20 Pb4 -","4","1","","Pedrido, Rosa; Romero, M José; Bermejo, Manuel R.; González-Noya, Ana M; Maneiro, Marcelino; Rodríguez, M Jesús; Zaragoza, Guillermo","Influence of the metal size in the structure of the complexes derived from a pentadentate [N(3)O(2)] hydrazone.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5304","5314","10.1039/b610010d","","","0.71073","MoKα","","0.0564","0.0324","","","0.0638","0.0696","","","","","","1.061","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007776","20.352","0.005","11.765","0.003","14.718","0.003","90","","109.914","0.003","90","","3313.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 N7 O4 Pb -","- C32 H39 N7 O4 Pb -","- C128 H156 N28 O16 Pb4 -","4","1","","Pedrido, Rosa; Romero, M José; Bermejo, Manuel R.; González-Noya, Ana M; Maneiro, Marcelino; Rodríguez, M Jesús; Zaragoza, Guillermo","Influence of the metal size in the structure of the complexes derived from a pentadentate [N(3)O(2)] hydrazone.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5304","5314","10.1039/b610010d","","","0.71073","MoKα","","0.0534","0.0265","","","0.0603","0.0791","","","","","","1.008","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007777","25.577","0.011","15.274","0.007","14.199","0.006","90","","109.23","0.008","90","","5238","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 N5 O10 Sn -","- C23 H19 N5 O10 Sn -","- C184 H152 N40 O80 Sn8 -","8","1","","Pedrido, Rosa; Romero, M José; Bermejo, Manuel R.; González-Noya, Ana M; Maneiro, Marcelino; Rodríguez, M Jesús; Zaragoza, Guillermo","Influence of the metal size in the structure of the complexes derived from a pentadentate [N(3)O(2)] hydrazone.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5304","5314","10.1039/b610010d","","","0.71073","MoKα","","0.098","0.0494","","","0.1158","0.1299","","","","","","0.955","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007778","8.1587","0.0003","18.8722","0.0011","9.007","0.0004","90","","99.071","0.003","90","","1369.49","0.11","301","2","301","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H16 Cl2 N2 O Pd -","- C11 H16 Cl2 N2 O Pd -","- C44 H64 Cl8 N8 O4 Pd4 -","4","1","","Cardile, Steven A.; Jennings, Michael C.; Jones, Nathan D.","Pyridinyloxazolidines: versatile scaffolds for chiral catalyst construction.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4672","4678","10.1039/b610079a","","","0.71073","MoKα","","0.0274","0.025","","","0.0555","0.0565","","","","","","1.045","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007779","8.9866","0.0002","14.0192","0.0004","17.0694","0.0004","90","","90","","90","","2150.49","0.09","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cl5 N2 O Pd -","- C17 H19 Cl5 N2 O Pd -","- C68 H76 Cl20 N8 O4 Pd4 -","4","1","","Cardile, Steven A.; Jennings, Michael C.; Jones, Nathan D.","Pyridinyloxazolidines: versatile scaffolds for chiral catalyst construction.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4672","4678","10.1039/b610079a","","","0.71073","MoKα","","0.0509","0.0383","","","0.0902","0.0951","","","","","","1.113","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007780","13.771","0.003","21.187","0.012","9.604","0.002","90","","96.8","0.02","90","","2782.4","1.8","298.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C18 H29 Cl5 N2 O2 Pt2 S2 -","- C18 H29 Cl5 N2 O2 Pt2 S2 -","- C72 H116 Cl20 N8 O8 Pt8 S8 -","4","1","","Suzaki, Yuji; Taira, Toshiaki; Osakada, Kohtaro","Irreversible and reversible formation of a [2]rotaxane containing platinum(II) complex with an N-alkyl bipyridinium ligand as the axis component.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5345","5351","10.1039/b610087b","","","0.71069","MoKα","","","0.0538","","","","0.0719","","","","","","0.934","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007781","10.737","0.002","12.291","0.002","15.286","0.002","90","","90.39","0.02","90","","2017.2","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 P -","- C24 H27 P -","- C96 H108 P4 -","4","1","","Fey, Natalie; Howell, James A. S.; Lovatt, Jonathan D.; Yates, Paul C.; Cunningham, Desmond; McArdle, Patrick; Gottlieb, Hugo E.; Coles, Simon J.","A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5464","5475","10.1039/b610123b","","","0.71069","MoKα","","0.065","0.0472","","","0.1393","0.1477","","","","","","1.131","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007782","11.005","0.002","12.99","0.003","18.795","0.005","75.89","0.02","88.14","0.02","69.87","0.02","2442.7","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H33 P -","- C27 H33 P -","- C108 H132 P4 -","4","2","","Fey, Natalie; Howell, James A. S.; Lovatt, Jonathan D.; Yates, Paul C.; Cunningham, Desmond; McArdle, Patrick; Gottlieb, Hugo E.; Coles, Simon J.","A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5464","5475","10.1039/b610123b","","","0.71069","MoKα","","0.0696","0.0517","","0.168","0.1568","","","","1.218","1.336","1.336","","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007783","7.449","0.001","17.291","0.002","15.649","0.002","90","","99.29","0.01","90","","1989.2","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 P -","- C24 H27 P -","- C96 H108 P4 -","4","1","","Fey, Natalie; Howell, James A. S.; Lovatt, Jonathan D.; Yates, Paul C.; Cunningham, Desmond; McArdle, Patrick; Gottlieb, Hugo E.; Coles, Simon J.","A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5464","5475","10.1039/b610123b","","","0.71069","MoKα","","0.0431","0.0375","","","0.1077","0.1124","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007784","14.398","0.002","8.274","0.002","17.451","0.004","90","","101.973","0.016","90","","2033.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H27 O P -","- C24 H27 O P -","- C96 H108 O4 P4 -","4","1","","Fey, Natalie; Howell, James A. S.; Lovatt, Jonathan D.; Yates, Paul C.; Cunningham, Desmond; McArdle, Patrick; Gottlieb, Hugo E.; Coles, Simon J.","A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5464","5475","10.1039/b610123b","","","0.71069","MoKα","","0.091","0.0444","","","0.119","0.1342","","","","","","0.971","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007785","8.2401","0.0009","10.783","0.0009","15.5965","0.001","90","","102.28","0.01","90","","1354.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 O P -","- C15 H17 O P -","- C60 H68 O4 P4 -","4","1","","Fey, Natalie; Howell, James A. S.; Lovatt, Jonathan D.; Yates, Paul C.; Cunningham, Desmond; McArdle, Patrick; Gottlieb, Hugo E.; Coles, Simon J.","A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5464","5475","10.1039/b610123b","","","0.71069","MoKα","","0.0875","0.0468","","0.1431","0.1289","","","","1.008","1.18","1.18","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007786","13.974","0.003","6.773","0.001","15.79","0.004","90","","111.38","0.01","90","","1391.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","methyl-bis(2-methylphenyl)phosphinesulphide","methyl-bis(2-methylphenyl)phosphinesulphide","","- C15 H17 P S -","- C15 H17 P S -","- C60 H68 P4 S4 -","4","1","","Fey, Natalie; Howell, James A. S.; Lovatt, Jonathan D.; Yates, Paul C.; Cunningham, Desmond; McArdle, Patrick; Gottlieb, Hugo E.; Coles, Simon J.","A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5464","5475","10.1039/b610123b","","","0.71069","MoKα","","0.0923","0.0618","","0.1919","0.1811","","","","1.216","1.414","1.414","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007787","10.763","0.001","13.3","0.002","14.269","0.001","90","","96.62","0.01","90","","2029","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pentacarbonyl(methylbis(2-methylphenyl)phosphine)chromium","Pentacarbonyl[methylbis(2-methylphenyl)phosphine]chromium","","- C20 H17 Cr O5 P -","- C20 H17 Cr O5 P -","- C80 H68 Cr4 O20 P4 -","4","1","","Fey, Natalie; Howell, James A. S.; Lovatt, Jonathan D.; Yates, Paul C.; Cunningham, Desmond; McArdle, Patrick; Gottlieb, Hugo E.; Coles, Simon J.","A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5464","5475","10.1039/b610123b","","","0.71069","MoKα","","0.058","0.0443","","0.1425","0.1342","","","","1.042","1.14","1.14","","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007788","7.518","0.002","13.085","0.002","16.66","0.008","90","","90","","90","","1638.9","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 O P -","- C18 H23 O P -","- C72 H92 O4 P4 -","4","1","","Fey, Natalie; Howell, James A. S.; Lovatt, Jonathan D.; Yates, Paul C.; Cunningham, Desmond; McArdle, Patrick; Gottlieb, Hugo E.; Coles, Simon J.","A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5464","5475","10.1039/b610123b","","","0.71069","MoKα","","0.0681","0.0501","","","0.131","0.1413","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007789","16.153","0.001","21.076","0.001","25.449","0.001","90","","90","","90","","8663.9","0.8","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C67 H97 Co N14 Na O35 P S -","- C67 H94 Co N14 Na0.65 O33.2 P S -","- C268 H376 Co4 N56 Na2.6 O132.8 P4 S4 -","4","1","","Suarez-Moreira, Edward; Hannibal, Luciana; Smith, Clyde A.; Chavez, Roberto A.; Jacobsen, Donald W.; Brasch, Nicola E.","A simple, convenient method to synthesize cobalamins: synthesis of homocysteinylcobalamin, N-acetylcysteinylcobalamin, 2-N-acetylamino-2-carbomethoxyethanethiolatocobalamin, sulfitocobalamin and nitrocobalamin.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5269","5277","10.1039/b610158e","","","0.81797","synchrotron","","0.1082","0.103","","","0.2603","0.2645","","","","","","0.986","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007790","11.8503","0.0009","12.4641","0.0009","12.6238","0.001","63.637","0.006","64.437","0.006","77.138","0.006","1506","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H80 As4 Cu4 P4 S4 -","- C48 H80 As4 Cu4 P4 S4 -","- C48 H80 As4 Cu4 P4 S4 -","1","0.5","","Langer, Robert; Shi, Weifeng; Rothenberger, Alexander","Copper-mediated cleavage of disulfides by tertiary phosphines: a new route to As-S anions.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4435","4437","10.1039/b610228j","","","0.71073","MoKα","","0.0727","0.0525","","","0.1365","0.1454","","","","","","1.053","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007791","26.626","0.002","19.8281","0.0009","19.0953","0.001","90","","99.87","0.005","90","","9932","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H105 As4 Cu4 O3 P4 S6 -","- C108 H105 As4 Cu4 O3 P4 S6 -","- C432 H420 As16 Cu16 O12 P16 S24 -","4","1","","Langer, Robert; Shi, Weifeng; Rothenberger, Alexander","Copper-mediated cleavage of disulfides by tertiary phosphines: a new route to As-S anions.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4435","4437","10.1039/b610228j","","","0.71073","MoKα","","0.1014","0.0516","","","0.1032","0.1174","","","","","","0.939","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007792","15.0786","0.0004","17.7144","0.0006","19.7912","0.0006","90","","106.806","0.004","90","","5060.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49.5 H57 Cl3 N10 Ni2 O4 -","- C49.5 H56 Cl3 N10 Ni2 O4 -","- C198 H224 Cl12 N40 Ni8 O16 -","4","1","","Chaudhuri, Phalguni; Wagner, Rita; Khanra, Sumit; Weyhermüller, Thomas","Ferromagnetic vs. antiferromagnetic coupling in bis(mu2-1,1-azido)dinickel(II) complexes with syn- and anti-conformations of the end-on azide bridges.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4962","4968","10.1039/b610308a","","","0.71073","MoKα","","0.0512","0.0445","","","0.1057","0.1094","","","","","","1.098","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007793","17.9493","0.001","14.8218","0.0008","19.3079","0.0008","90","","115.333","0.004","90","","4642.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 N10 Ni2 O5 -","- C48 H56 N10 Ni2 O5 -","- C192 H224 N40 Ni8 O20 -","4","1","","Chaudhuri, Phalguni; Wagner, Rita; Khanra, Sumit; Weyhermüller, Thomas","Ferromagnetic vs. antiferromagnetic coupling in bis(mu2-1,1-azido)dinickel(II) complexes with syn- and anti-conformations of the end-on azide bridges.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4962","4968","10.1039/b610308a","","","0.71073","MoKα","","0.0981","0.0502","","","0.0811","0.0946","","","","","","1.02","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007794","23.378","0.003","21.533","0.003","20.077","0.003","90","","90","","90","","10107","2","293","2","293","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C48 H47 Cl2 Fe N O10 P2 Pd Si -","- C48 H45 Cl2 Fe N O10 P2 Pd Si -","- C384 H360 Cl16 Fe8 N8 O80 P16 Pd8 Si8 -","8","1","","Knorr, Michael; Jourdain, Isabelle; Braunstein, Pierre; Strohmann, Carsten; Tiripicchio, Antonio; Ugozzoli, Franco","Insertion reactions of alkynes and organic isocyanides into the palladium-carbon bond of dimetallic Fe-Pd alkoxysilyl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5248","5258","10.1039/b610324c","","x-ray","0.7107","MoKα","","0.1857","0.0594","","","0.1202","0.1338","","","","","","0.645","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007795","10.88","0.013","26.56","0.03","15.165","0.016","90","","96.77","0.09","90","","4352","9","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C41 H43 Cl2 Fe N O7 P2 Pd Si -","- C41 H43 Cl2 Fe N O7 P2 Pd Si -","- C164 H172 Cl8 Fe4 N4 O28 P8 Pd4 Si4 -","4","1","","Knorr, Michael; Jourdain, Isabelle; Braunstein, Pierre; Strohmann, Carsten; Tiripicchio, Antonio; Ugozzoli, Franco","Insertion reactions of alkynes and organic isocyanides into the palladium-carbon bond of dimetallic Fe-Pd alkoxysilyl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5248","5258","10.1039/b610324c","","x-ray","","MoKα","","0.1608","0.0616","","","0.1319","0.1657","","","","","","1.01","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007796","11.989","0.002","13.04","0.002","13.724","0.002","97.867","0.013","99.001","0.011","99.407","0.012","2061.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H51 Cl2 N3 O2 Ti -","- C42 H51 Cl2 N3 O2 Ti -","- C84 H102 Cl4 N6 O4 Ti2 -","2","1","","Clarkson, Guy J.; Gibson, Vernon C.; Goh, Peter K. Y.; Hammond, Max L.; Knight, Paul D.; Scott, Peter; Smit, Theo M.; White, Andrew J. P.; Williams, David J.","Group 4 catalysts for ethene polymerization containing tetradentate salicylaldiminato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5484","5491","10.1039/b610555f","","","1.54178","CuKα","","0.0619","0.0474","","0.1308","0.1195","","","","1.031","1.077","1.077","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007797","12.515","0.002","14.189","0.002","14.437","0.002","88.054","0.01","84.511","0.011","64.388","0.01","2301.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H57 Cl2 N5 O2 Ti -","- C43 H57 Cl2 N5 O2 Ti -","- C86 H114 Cl4 N10 O4 Ti2 -","2","1","","Clarkson, Guy J.; Gibson, Vernon C.; Goh, Peter K. Y.; Hammond, Max L.; Knight, Paul D.; Scott, Peter; Smit, Theo M.; White, Andrew J. P.; Williams, David J.","Group 4 catalysts for ethene polymerization containing tetradentate salicylaldiminato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5484","5491","10.1039/b610555f","","","1.54178","CuKα","","0.1078","0.063","","0.1775","0.1489","","","","1.023","1.105","1.105","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007798","25.981","0.004","13.1764","0.0004","26.4518","0.0014","90","","90","","90","","9055.4","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H57 Cl2 N3 O2 Zr -","- C46 H57 Cl2 N3 O2 Zr -","- C368 H456 Cl16 N24 O16 Zr8 -","8","1","","Clarkson, Guy J.; Gibson, Vernon C.; Goh, Peter K. Y.; Hammond, Max L.; Knight, Paul D.; Scott, Peter; Smit, Theo M.; White, Andrew J. P.; Williams, David J.","Group 4 catalysts for ethene polymerization containing tetradentate salicylaldiminato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5484","5491","10.1039/b610555f","","","1.54178","CuKα","","0.0599","0.0414","","0.1056","0.0946","","","","1.032","1.08","1.08","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007799","15.011","0.001","13.445","0.001","14.603","0.001","90","","108.48","0.01","90","","2795.2","0.4","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Au(bipyOxyl)(CH2=CHPh))(PF6)CH2Cl2","","","- C27 H26 Au Cl2 F6 N2 P -","- C27 H26 Au Cl2 F6 N2 P -","- C108 H104 Au4 Cl8 F24 N8 P4 -","4","1","","Cinellu, Maria A.; Minghetti, Giovanni; Cocco, Fabio; Stoccoro, Sergio; Zucca, Antonio; Manassero, Mario; Arca, Massimiliano","Synthesis and properties of gold alkene complexes. Crystal structure of [Au(bipy(oXyl))(eta(2)-CH(2)=CHPh)](PF(6)) and DFT calculations on the model cation [Au(bipy)(eta(2)-CH(2)=CH(2))](+).","Dalton transactions (Cambridge, England : 2003)","2006","","48","5703","5716","10.1039/b610657a","","","0.71073","Mo-Kα","","0.032","0.032","","","0.056","","","","0.984","0.984","0.984","","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007800","25.098","0.013","21.265","0.011","26.793","0.014","90","","109.509","0.011","90","","13479","12","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C134 H113 Ag2 F12 N3 P10 S16 -","- C134 H113 Ag2 F12 N3 P10 S16 -","- C536 H452 Ag8 F48 N12 P40 S64 -","4","1","","Uzelmeier, Calvin E.; Smucker, Bradley W.; Reinheimer, Eric W.; Shatruk, Mikhail; O'Neal, Amanda W; Fourmigué, Marc; Dunbar, Kim R.","A series of complexes of the phosphorus-based TTF ligand o-P2 with the metal ions Fe(II), Co(II), Ni(II), Pd(II), Pt(II), and Ag(I).","Dalton transactions (Cambridge, England : 2003)","2006","","44","5259","5268","10.1039/b610659e","","","0.71073","MoKα","","0.1886","0.1001","","","0.1967","0.2303","","","","","","1.049","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007801","17.42","0.004","19.241","0.004","23.198","0.005","90","","101.12","0.03","90","","7629","3","163","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H67 B2 Co F8 N5 P4 S8 -","- C74 H67 B2 Co F8 N5 P4 S8 -","- C296 H268 B8 Co4 F32 N20 P16 S32 -","4","1","","Uzelmeier, Calvin E.; Smucker, Bradley W.; Reinheimer, Eric W.; Shatruk, Mikhail; O'Neal, Amanda W; Fourmigué, Marc; Dunbar, Kim R.","A series of complexes of the phosphorus-based TTF ligand o-P2 with the metal ions Fe(II), Co(II), Ni(II), Pd(II), Pt(II), and Ag(I).","Dalton transactions (Cambridge, England : 2003)","2006","","44","5259","5268","10.1039/b610659e","","","0.71073","MoKα","","0.1703","0.0826","","","0.226","0.2951","","","","","","1.002","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007802","16.527","0.0011","20.6653","0.0015","24.6469","0.0018","83.414","0.004","87.686","0.004","72.71","0.004","7984.2","1","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C150 H137 Ag2 F12 N11 P8 S16 Sb2 -","- C150 H137 Ag2 F12 N11 P8 S16 Sb2 -","- C300 H274 Ag4 F24 N22 P16 S32 Sb4 -","2","1","","Uzelmeier, Calvin E.; Smucker, Bradley W.; Reinheimer, Eric W.; Shatruk, Mikhail; O'Neal, Amanda W; Fourmigué, Marc; Dunbar, Kim R.","A series of complexes of the phosphorus-based TTF ligand o-P2 with the metal ions Fe(II), Co(II), Ni(II), Pd(II), Pt(II), and Ag(I).","Dalton transactions (Cambridge, England : 2003)","2006","","44","5259","5268","10.1039/b610659e","","","1.54178","CuKα","","0.1812","0.0724","","","0.1538","0.1896","","","","","","0.887","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007803","11.44","0.005","13.5","0.005","21.5","0.005","89","0.005","89","0.005","79","0.005","3259","2","163","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H58 B2 F8 Fe N2 P4 S8 -","- C68 H58 B2 F8 Fe N2 P4 S8 -","- C136 H116 B4 F16 Fe2 N4 P8 S16 -","2","1","","Uzelmeier, Calvin E.; Smucker, Bradley W.; Reinheimer, Eric W.; Shatruk, Mikhail; O'Neal, Amanda W; Fourmigué, Marc; Dunbar, Kim R.","A series of complexes of the phosphorus-based TTF ligand o-P2 with the metal ions Fe(II), Co(II), Ni(II), Pd(II), Pt(II), and Ag(I).","Dalton transactions (Cambridge, England : 2003)","2006","","44","5259","5268","10.1039/b610659e","","","0.71069","MoKα","","0.1672","0.0572","","","0.09","0.1137","","","","","","0.759","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007804","24.677","0.002","14.322","0.0013","15.4465","0.0013","90","","127.169","0.01","90","","4350.2","0.9","163","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C170 H152 B4 F16 Ni2 P8 S16 -","- C170 H152 B4 F16 Ni2 P8 S16 -","- C170 H152 B4 F16 Ni2 P8 S16 -","1","0.125","","Uzelmeier, Calvin E.; Smucker, Bradley W.; Reinheimer, Eric W.; Shatruk, Mikhail; O'Neal, Amanda W; Fourmigué, Marc; Dunbar, Kim R.","A series of complexes of the phosphorus-based TTF ligand o-P2 with the metal ions Fe(II), Co(II), Ni(II), Pd(II), Pt(II), and Ag(I).","Dalton transactions (Cambridge, England : 2003)","2006","","44","5259","5268","10.1039/b610659e","","","0.71073","MoKα","","0.1048","0.0616","","","0.1568","0.1834","","","","","","0.937","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007805","24.549","0.005","14.287","0.005","15.527","0.005","90","0.005","127.4","0.005","90","0.005","4326","2","163","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C174.72 H153.64 B4 F16 P8 Pd2 S16 -","- C174.722 H153.639 B4 F16 P8 Pd2 S16 -","- C174.722 H153.639 B4 F16 P8 Pd2 S16 -","1","0.125","","Uzelmeier, Calvin E.; Smucker, Bradley W.; Reinheimer, Eric W.; Shatruk, Mikhail; O'Neal, Amanda W; Fourmigué, Marc; Dunbar, Kim R.","A series of complexes of the phosphorus-based TTF ligand o-P2 with the metal ions Fe(II), Co(II), Ni(II), Pd(II), Pt(II), and Ag(I).","Dalton transactions (Cambridge, England : 2003)","2006","","44","5259","5268","10.1039/b610659e","","","0.71069","MoKα","","0.1204","0.0753","","","0.2248","0.244","","","","","","1.083","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007806","24.617","0.002","14.3476","0.0013","15.5292","0.0013","90","","127.072","0.01","90","","4376.2","0.9","163","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C170 H158 B4 F16 P8 Pt2 S16 -","- C170 H158 B4 F16 P8 Pt2 S16 -","- C170 H158 B4 F16 P8 Pt2 S16 -","1","0.125","","Uzelmeier, Calvin E.; Smucker, Bradley W.; Reinheimer, Eric W.; Shatruk, Mikhail; O'Neal, Amanda W; Fourmigué, Marc; Dunbar, Kim R.","A series of complexes of the phosphorus-based TTF ligand o-P2 with the metal ions Fe(II), Co(II), Ni(II), Pd(II), Pt(II), and Ag(I).","Dalton transactions (Cambridge, England : 2003)","2006","","44","5259","5268","10.1039/b610659e","","","0.71073","MoKα","","0.1265","0.0583","","","0.09","0.1088","","","","","","0.765","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007807","16.346","0.003","20.059","0.004","18.71","0.003","90","","96.044","0.013","90","","6100.6","1.9","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C90 H96 N18 O74 P3 V9 W11 -","- C80 H64 N16 O63 P3 V8.96 W11.04 -","- C160 H128 N32 O126 P6 V17.92 W22.08 -","2","0.25","","Lisnard, Laurent; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Rivière, Eric; Borshch, Serguei A.; Petit, Sébastien; Robert, Vincent; Duboc, Carole; McCormac, Timothy; Sécheresse, Francis","Synthesis and characterizations of cyclic octanuclear mixed-valence vanadium(IV,V) clusters with polyoxometalate counterions.","Dalton transactions (Cambridge, England : 2003)","2006","","43","5141","5148","10.1039/b610735d","","","0.71073","MoKα","","0.0607","0.0471","","","0.1374","0.1481","","","","","","1.071","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007808","10.8551","0.0005","12.036","0.001","23.698","0.002","90","","90","","90","","3096.2","0.4","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42.41 B2 D4 F8 Fe N O1.705 P4 -","- C22 H45 B2 F8 Fe N O1.706 P4 -","- C88 H180 B8 F32 Fe4 N4 O6.824 P16 -","4","1","","Kohl, Stephan W.; Heinemann, Frank W.; Hummert, Markus; Bauer, Walter; Grohmann, Andreas","Solvent dependent reactivity: solvent activation vs. solvent coordination in alkylphosphane iron complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5583","5592","10.1039/b610792c","","","0.71073","MoKα","","0.0697","0.0495","","","0.1188","0.1287","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007809","14.305","0.001","19.793","0.002","25.205","0.002","90","","94.336","0.005","90","","7116.1","1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 F6 Fe N2 O6 P4 S2 -","- C25 H44 F6 Fe N2 O6 P4 S2 -","- C200 H352 F48 Fe8 N16 O48 P32 S16 -","8","2","","Kohl, Stephan W.; Heinemann, Frank W.; Hummert, Markus; Bauer, Walter; Grohmann, Andreas","Solvent dependent reactivity: solvent activation vs. solvent coordination in alkylphosphane iron complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5583","5592","10.1039/b610792c","","","0.71073","MoKα","","0.0549","0.0347","","","0.0769","0.0855","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007810","10.5483","0.0006","12.3","0.002","12.043","0.002","90","","110.33","0.007","90","","1465.2","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H48 Br2 Fe N O2 P4 -","- C23 H48 Br2 Fe N O2 P4 -","- C46 H96 Br4 Fe2 N2 O4 P8 -","2","1","","Kohl, Stephan W.; Heinemann, Frank W.; Hummert, Markus; Bauer, Walter; Grohmann, Andreas","Solvent dependent reactivity: solvent activation vs. solvent coordination in alkylphosphane iron complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5583","5592","10.1039/b610792c","","","0.71073","MoKα","","0.0363","0.0264","","","0.0491","0.0514","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007811","10.9275","0.0009","12.1691","0.0019","23.218","0.004","90","","90","","90","","3087.5","0.8","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C23 H47 B2 F8 Fe N O P4 -","- C23 H47 B2 F8 Fe N O P4 -","- C92 H188 B8 F32 Fe4 N4 O4 P16 -","4","1","","Kohl, Stephan W.; Heinemann, Frank W.; Hummert, Markus; Bauer, Walter; Grohmann, Andreas","Solvent dependent reactivity: solvent activation vs. solvent coordination in alkylphosphane iron complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5583","5592","10.1039/b610792c","","","0.71073","MoKα","","0.0667","0.0456","","","0.104","0.1087","","","","","","0.982","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7007812","10.933","0.003","12.2962","0.0009","22.86","0.002","90","","90","","90","","3073.2","0.9","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H43 B F4 Fe N O P4 -","- C21 H43 B F4 Fe N O P4 -","- C84 H172 B4 F16 Fe4 N4 O4 P16 -","4","1","","Kohl, Stephan W.; Heinemann, Frank W.; Hummert, Markus; Bauer, Walter; Grohmann, Andreas","Solvent dependent reactivity: solvent activation vs. solvent coordination in alkylphosphane iron complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5583","5592","10.1039/b610792c","","","0.71073","MoKα","","0.0554","0.043","","","0.1291","0.1317","","","","","","1.054","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007813","10.9961","0.0008","12.0964","0.0007","23.0207","0.0015","90","","91.104","0.004","90","","3061.5","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C21 H45 B2 F8 Fe N O2 P4 -","- C21 H45 B2 F8 Fe N O2 P4 -","- C84 H180 B8 F32 Fe4 N4 O8 P16 -","4","2","","Kohl, Stephan W.; Heinemann, Frank W.; Hummert, Markus; Bauer, Walter; Grohmann, Andreas","Solvent dependent reactivity: solvent activation vs. solvent coordination in alkylphosphane iron complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5583","5592","10.1039/b610792c","","","0.71073","MoKα","","0.0635","0.0445","","","0.0906","0.097","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007814","12.287","0.0015","12.7061","0.001","16.623","0.002","90","","91.307","0.006","90","","2594.5","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Iodotrimethyl(1,2-bis(2- dimethylstibinomethylphenyl)ethane)platinum(IV)","Iodotrimethyl(1,2-bis(2-dimethylstibinomethylphenyl)ethane)platinum(IV)","","- C23 H37 I Pt Sb2 -","- C23 H34 I Pt Sb2 -","- C92 H136 I4 Pt4 Sb8 -","4","1","","Brown, Michael D.; Levason, William; Reid, Gillian; Webster, Michael","Preparation and coordinating properties of {CH2(o-C6H4CH2SbMe2)}2, a novel wide-angle cis-chelating distibine.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5648","5654","10.1039/b610808c","","","0.71073","MoKα","","0.0362","0.0291","","","0.062","0.0641","","","","","","1.122","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007815","12.9641","0.0015","23.323","0.003","17.0599","0.0015","90","","96.21","0.005","90","","5128","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetracarbonyl(1,2-bis((2- dimethylstibinomethyl)phenyl)ethane)tungsten(0)","tetracarbonyl(1,2-bis((2-dimethylstibinomethyl)phenyl)ethane)tungsten(0)","","- C24 H28 O4 Sb2 W -","- C24 H28 O4 Sb2 W -","- C192 H224 O32 Sb16 W8 -","8","2","","Brown, Michael D.; Levason, William; Reid, Gillian; Webster, Michael","Preparation and coordinating properties of {CH2(o-C6H4CH2SbMe2)}2, a novel wide-angle cis-chelating distibine.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5648","5654","10.1039/b610808c","","","0.71073","MoKα","","0.0463","0.0283","","","0.054","0.0589","","","","","","1.015","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007816","17.705","0.003","11.6869","0.0015","12.4991","0.001","90","","94.506","0.01","90","","2578.3","0.6","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","tetracarbonyl(1,2-bis((2- dimethylstibinomethyl)phenyl)ethane)tungsten(0)","tetracarbonyl(1,2-bis((2-dimethylstibinomethyl)phenyl)ethane)tungsten(0)","","- C24 H28 O4 Sb2 W -","- C24 H28 O4 Sb2 W -","- C96 H112 O16 Sb8 W4 -","4","1","","Brown, Michael D.; Levason, William; Reid, Gillian; Webster, Michael","Preparation and coordinating properties of {CH2(o-C6H4CH2SbMe2)}2, a novel wide-angle cis-chelating distibine.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5648","5654","10.1039/b610808c","","","0.71073","MoKα","","0.0254","0.0235","","","0.0489","0.0495","","","","","","1.067","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007817","14.243","0.005","13.068","0.003","12.38","0.004","90","","90.302","0.012","90","","2304.2","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dichloro(1,2-bis((2- dimethylstibinomethyl)phenyl)ethane)platinum(ii)","Dichloro(1,2-bis((2-dimethylstibinomethyl)phenyl)ethane)platinum(II)","","- C20 H28 Cl2 Pt Sb2 -","- C20 H28 Cl2 Pt Sb2 -","- C80 H112 Cl8 Pt4 Sb8 -","4","1","","Brown, Michael D.; Levason, William; Reid, Gillian; Webster, Michael","Preparation and coordinating properties of {CH2(o-C6H4CH2SbMe2)}2, a novel wide-angle cis-chelating distibine.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5648","5654","10.1039/b610808c","","","0.71073","MoKα","","0.147","0.0573","","","0.0898","0.1095","","","","","","1.012","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007818","8.5802","0.0005","10.4989","0.0006","10.5781","0.0006","88.505","0.001","79.441","0.001","84.951","0.001","933.08","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H32 O4 Sn -","- C15 H32 O4 Sn -","- C30 H64 O8 Sn2 -","2","1","","Ballivet-Tkatchenko, Danielle; Chermette, Henry; Plasseraud, Laurent; Walter, Olaf","Insertion reaction of carbon dioxide into Sn-OR bond. Synthesis, structure and DFT calculations of di- and tetranuclear isopropylcarbonato tin(IV) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","43","5167","5175","10.1039/b610812a","","","0.71073","MoKα","","0.0206","0.0189","","","0.0473","0.0482","","","","","","1.043","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007819","10.5317","0.0013","12.11","0.0015","13.0076","0.0016","87.6506","0.0018","72.5313","0.0017","74.8235","0.0016","1526","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H50 O5 Sn2 -","- C23 H50 O5 Sn2 -","- C46 H100 O10 Sn4 -","2","1","","Ballivet-Tkatchenko, Danielle; Chermette, Henry; Plasseraud, Laurent; Walter, Olaf","Insertion reaction of carbon dioxide into Sn-OR bond. Synthesis, structure and DFT calculations of di- and tetranuclear isopropylcarbonato tin(IV) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","43","5167","5175","10.1039/b610812a","","","0.71073","MoKα","","0.0987","0.0544","","","0.1266","0.1479","","","","","","1.023","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007820","13.9969","0.0003","11.7558","0.0005","14.2199","0.0005","90","","118.572","0.002","90","","2054.86","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H26 B20 Se -","- C6 H26 B20 Se -","- C24 H104 B80 Se4 -","4","1","","Laromaine, Anna; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Arca, Massimiliano; Lippolis, Vito; Crespo, Eulàlia; Viñas, Clara","Synthesis, reactivity and structural studies of selenide bridged carboranyl compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5240","5247","10.1039/b610944f","","x-ray","0.71073","Mokα","","0.0541","0.0353","","","0.0745","0.0804","","","","","","1.038","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007821","7.1599","0.0004","7.8129","0.0005","21.7731","0.0015","95.738","0.002","90.839","0.002","115.038","0.003","1095.8","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H26 B20 Se2 -","- C6 H26 B20 Se2 -","- C12 H52 B40 Se4 -","2","1","","Laromaine, Anna; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Arca, Massimiliano; Lippolis, Vito; Crespo, Eulàlia; Viñas, Clara","Synthesis, reactivity and structural studies of selenide bridged carboranyl compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5240","5247","10.1039/b610944f","","x-ray","0.71073","Mokα","","0.0805","0.0502","","","0.1199","0.1339","","","","","","1.033","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007822","23.4834","0.0011","9.5944","0.0002","13.8538","0.0006","90","","119.485","0.0014","90","","2717.12","0.19","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H34 B20 Se2 -","- C13 H34 B20 Se2 -","- C52 H136 B80 Se8 -","4","0.5","","Laromaine, Anna; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Arca, Massimiliano; Lippolis, Vito; Crespo, Eulàlia; Viñas, Clara","Synthesis, reactivity and structural studies of selenide bridged carboranyl compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5240","5247","10.1039/b610944f","","x-ray","0.71073","Mokα","","0.0492","0.0346","","","0.0739","0.0789","","","","","","1.05","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007823","8.0368","0.0004","12.3095","0.0005","14.0307","0.0007","90","","91.717","0.005","90","","1387.42","0.11","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H30 B20 Se2 -","- C16 H30 B20 Se2 -","- C32 H60 B40 Se4 -","2","1","","Laromaine, Anna; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Arca, Massimiliano; Lippolis, Vito; Crespo, Eulàlia; Viñas, Clara","Synthesis, reactivity and structural studies of selenide bridged carboranyl compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5240","5247","10.1039/b610944f","","x-ray","0.71073","Mokα","","0.0505","0.0374","","","0.069","0.073","","","","","","1.026","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007824","7.9337","0.0001","18.806","0.0004","17.7509","0.0004","90","","91.4646","0.0007","90","","2647.59","0.09","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 Au B10 P Se -","- C21 H28 Au B10 P Se -","- C84 H112 Au4 B40 P4 Se4 -","4","1","","Laromaine, Anna; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Arca, Massimiliano; Lippolis, Vito; Crespo, Eulàlia; Viñas, Clara","Synthesis, reactivity and structural studies of selenide bridged carboranyl compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5240","5247","10.1039/b610944f","","x-ray","0.71073","Mokα","","0.0401","0.0305","","","0.0638","0.0672","","","","","","1.026","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007825","12.101","0.002","14.3993","0.0015","19.975","0.002","90","","96.285","0.013","90","","3459.6","0.8","293","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H45 B N5 O2 Re -","- C36 H45 B N5 O2 Re -","- C144 H180 B4 N20 O8 Re4 -","4","1","","Moura, Carolina; Vítor, Rute F; Maria, Leonor; Paulo, António; Santos, Isabel C.; Santos, Isabel","Rhenium(V) oxocomplexes with novel pyrazolyl-based N4- and N3S-donor chelators.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5630","5640","10.1039/b611034g","","","0.71073","MoKα","","0.1474","0.0663","","","0.091","0.1127","","","","","","1.047","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007826","9.4388","0.0002","10.3213","0.0003","14.9377","0.0003","89.039","0.001","80.175","0.001","89.297","0.001","1433.63","0.06","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 N8 O7 Re2 S2 -","- C22 H30 N8 O7 Re2 S2 -","- C44 H60 N16 O14 Re4 S4 -","2","1","","Moura, Carolina; Vítor, Rute F; Maria, Leonor; Paulo, António; Santos, Isabel C.; Santos, Isabel","Rhenium(V) oxocomplexes with novel pyrazolyl-based N4- and N3S-donor chelators.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5630","5640","10.1039/b611034g","","","0.71073","MoKα","","0.0586","0.0396","","","0.0927","0.1073","","","","","","1.003","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007827","13.33","0.002","13.33","0.002","15.083","0.003","90","","90","","90","","2680.1","0.8","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C24 H60 O32 P4 Re4 Th -","- C24 H60 O32 P4 Re4 Th -","- C48 H120 O64 P8 Re8 Th2 -","2","0.25","","Sutton, Andrew D.; May, Iain; Sharrad, Clint A.; Sarsfield, Mark J.; Helliwell, Madeleine","The coordination of perrhenate and pertechnetate to thorium(IV) in the presence of phosphine oxide or phosphate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5734","5742","10.1039/b611046k","","","0.71073","MoKα","","0.0589","0.0585","","","0.1318","0.132","","","","","","1.168","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007828","21.342","0.013","13.669","0.008","22.453","0.014","90","","115.54","0.008","90","","5910","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H51 O17 P3 Re3 Th -","- C56 H52 O17 P3 Re3 Th -","- C224 H208 O68 P12 Re12 Th4 -","4","1","","Sutton, Andrew D.; May, Iain; Sharrad, Clint A.; Sarsfield, Mark J.; Helliwell, Madeleine","The coordination of perrhenate and pertechnetate to thorium(IV) in the presence of phosphine oxide or phosphate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5734","5742","10.1039/b611046k","","","0.71073","MoKα","","0.0673","0.0512","","","0.1236","0.1315","","","","","","1.024","","","","has coordinates","189307","2020-10-21","18:00:00",""
"7007829","11.6713","0.0004","11.7518","0.0003","11.3972","0.0003","90","","98.162","0.002","90","","1547.39","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 N6 Re -","- C10 H10 Cl4 N6 Re -","- C40 H40 Cl16 N24 Re4 -","4","1","","Alegria, Elisabete C. B.; Martins, Luísa M D R S; Haukka, Matti; Pombeiro, Armando J. L.","Rhenium complexes of tris(pyrazolyl)methanes and sulfonate derivative.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4954","4961","10.1039/b611209a","","","0.71073","MoKα","","0.0339","0.0255","","","0.0543","0.0573","","","","","","1.032","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007830","12.5","0.003","12.532","0.003","15.166","0.003","90","","100.36","0.03","90","","2337","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N8 O9 Re2 S -","- C16 H18 N8 O9 Re2 S -","- C64 H72 N32 O36 Re8 S4 -","4","1","","Alegria, Elisabete C. B.; Martins, Luísa M D R S; Haukka, Matti; Pombeiro, Armando J. L.","Rhenium complexes of tris(pyrazolyl)methanes and sulfonate derivative.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4954","4961","10.1039/b611209a","","","0.71073","MoKα","","0.081","0.0481","","","0.1046","0.1256","","","","","","1.081","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007831","6.775","0.002","12.876","0.004","13.096","0.004","86.583","0.005","85.367","0.004","82.294","0.004","1127","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Co2 I4 O3 -","- C16 H16 Co2 I4 O3 -","- C32 H32 Co4 I8 O6 -","2","1","","Hou, Xiu-Feng; Liu, Shu; Wang, Hui; Chen, Yin-Qiang; Jin, Guo-Xin","Binuclear half-sandwich cobalt(III) and rhodium(III) ortho-carboranedichalocogenolato complexes with ether chain-bridged bis(cyclopentadienyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5231","5239","10.1039/b611266h","","","0.71073","MoKα","","0.0754","0.0428","","","0.0881","0.0971","","","","","","0.813","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007832","11.826","0.004","18.124","0.006","33.307","0.011","90","","90.714","0.006","90","","7138","4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H72 B20 Cl6 Co2 O P2 S4 -","- C57 H72 B20 Cl6 Co2 O P2 S4 -","- C228 H288 B80 Cl24 Co8 O4 P8 S16 -","4","1","","Hou, Xiu-Feng; Liu, Shu; Wang, Hui; Chen, Yin-Qiang; Jin, Guo-Xin","Binuclear half-sandwich cobalt(III) and rhodium(III) ortho-carboranedichalocogenolato complexes with ether chain-bridged bis(cyclopentadienyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5231","5239","10.1039/b611266h","","","0.71073","MoKα","","0.2023","0.0813","","","0.2005","0.2468","","","","","","0.911","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007833","12.239","0.004","12.155","0.004","18.23","0.005","90","","92.793","0.005","90","","2708.8","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 B10 Co2 O S2 -","- C16 H26 B10 Co2 O S2 -","- C64 H104 B40 Co8 O4 S8 -","4","1","","Hou, Xiu-Feng; Liu, Shu; Wang, Hui; Chen, Yin-Qiang; Jin, Guo-Xin","Binuclear half-sandwich cobalt(III) and rhodium(III) ortho-carboranedichalocogenolato complexes with ether chain-bridged bis(cyclopentadienyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5231","5239","10.1039/b611266h","","","0.71073","MoKα","","0.085","0.0544","","","0.152","0.1626","","","","","","0.919","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007834","13.145","0.004","15.462","0.005","23.036","0.007","90","","90","","90","","4682","3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H26 B10 Co2 O Se2 -","- C16 H26 B10 Co2 O Se2 -","- C128 H208 B80 Co16 O8 Se16 -","8","1","","Hou, Xiu-Feng; Liu, Shu; Wang, Hui; Chen, Yin-Qiang; Jin, Guo-Xin","Binuclear half-sandwich cobalt(III) and rhodium(III) ortho-carboranedichalocogenolato complexes with ether chain-bridged bis(cyclopentadienyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5231","5239","10.1039/b611266h","","","0.71073","MoKα","","0.0606","0.0372","","","0.0827","0.088","","","","","","0.891","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007835","12.047","0.003","18.278","0.005","33.285","0.009","90","","90.573","0.005","90","","7329","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H70 B20 Cl4 O P2 Rh2 Se4 -","- C56 H70 B20 Cl4 O P2 Rh2 Se4 -","- C224 H280 B80 Cl16 O4 P8 Rh8 Se16 -","4","1","","Hou, Xiu-Feng; Liu, Shu; Wang, Hui; Chen, Yin-Qiang; Jin, Guo-Xin","Binuclear half-sandwich cobalt(III) and rhodium(III) ortho-carboranedichalocogenolato complexes with ether chain-bridged bis(cyclopentadienyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5231","5239","10.1039/b611266h","","","0.71073","MoKα","","0.1553","0.0562","","","0.1252","0.1475","","","","","","0.807","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007836","8.08","0.003","17.147","0.006","17.467","0.006","90.537","0.005","94.058","0.005","93.095","0.005","2410.2","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 I4 O P2 Rh2 -","- C50 H46 I4 O P2 Rh2 -","- C100 H92 I8 O2 P4 Rh4 -","2","1","","Hou, Xiu-Feng; Liu, Shu; Wang, Hui; Chen, Yin-Qiang; Jin, Guo-Xin","Binuclear half-sandwich cobalt(III) and rhodium(III) ortho-carboranedichalocogenolato complexes with ether chain-bridged bis(cyclopentadienyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5231","5239","10.1039/b611266h","","","0.71073","MoKα","","0.112","0.0566","","","0.1217","0.1521","","","","","","0.908","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007837","8.446","0.005","12.795","0.007","14.728","0.008","90","","91.892","0.014","90","","1590.7","1.5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","(W2Se4(dmpe)2(CH3CO2))PF6","","","- C14 H35 F6 O2 P5 Se4 W2 -","- C14 H35 F6 O2 P5 Se4 W2 -","- C28 H70 F12 O4 P10 Se8 W4 -","2","1","","Algarra, Andrés G; Basallote, Manuel G.; Esther Castillo, C.; Corao, Carolina; Llusar, Rosa; Jesús Fernández-Trujillo, M; Vicent, Cristian","A combined stopped-flow, electrospray ionization mass spectrometry and (31)P NMR study on the acetic acid-mediated fragmentation of the hydroxo-chalcogenide cluster [W(3)Se(4)(OH)(3)(dmpe)(3)](+) (dmpe = 1,2-bis(dimethylphosphanyl)ethane) to yield the dinuclear [W(2)Se(2)(mu-Se)(2)(mu-CH(3)CO(2))(dmpe)(2)](+) complex.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5725","5733","10.1039/b611274a","","","0.71073","MoKα","","0.1822","0.0803","","","0.1601","0.2051","","","","","","0.975","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007838","10.9223","","10.9223","","34.2519","0.0039","90","","90","","90","","4086.1","0.5","130","2","130","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C12 H22 Cl4 N4 O2 Pt -","- C12 H22 Cl4 N4 O2 Pt -","- C96 H176 Cl32 N32 O16 Pt8 -","8","0.5","","Jamal Lasri; M. Adília Januário Charmier; M. Fátima C. Guedes da Silva; Armando J. L. Pombeiro","Direct synthesis of (imine)platinum(ii) complexes by iminoacylation of ketoximes with activated organonitrile ligands","Dalton Transactions","2006","","42","5062","","10.1039/b611341a","","","0.71069","MoKα","","0.0681","0.0342","","","0.0819","0.0934","","","","","","1.061","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007839","11.4267","0.0014","12.4871","0.0016","18.734","0.003","92.728","0.002","104.296","0.003","113.131","0.002","2350.5","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H47 Cl2 Co2 O6 P3 -","- C46 H47 Cl2 Co2 O6 P3 -","- C92 H94 Cl4 Co4 O12 P6 -","2","1","","Huang, Yi-Luen; Chang, Chin-Pei; Hong, Fung-E","Oxygen insertion in a carbon-phosphorus bond of the phenylethynyl-di-(tert-butyl)-phosphine bridged dicobalt complex: exploring the nature of oxygen migration using DFT.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5454","5463","10.1039/b611359a","","","0.71073","MoKα","","0.1058","0.0569","","","0.1355","0.1597","","","","","","0.952","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007840","35.416","0.004","35.416","","18.021","0.002","90","","90","","120","","19575","3","153","2","153","2","","","","","","","","4","P 6/m","-P 6","175","","","","- C58.92 H85.5 B10.83 O5.25 -","- C58.91 H86 B10.84 O5.26 -","- C706.92 H1032 B130.08 O63.12 -","12","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Solution and solid state studies on the binding of isomeric carboranes C2B10H12 by p-Bu(t)-calix[5]arene.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5449","5453","10.1039/b611399k","","","0.71073","MoKα","","0.2006","0.1171","","","0.2734","0.34","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007841","35.444","0.009","35.444","","17.99","0.005","90","","90","","120","","19573","7","153","2","153","2","","","","","","","","4","P 6/m","-P 6","175","","","","- C58.92 H85.5 B10.83 O5.25 -","- C58.91 H86.5 B10.84 O5.26 -","- C706.92 H1038 B130.08 O63.12 -","12","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Solution and solid state studies on the binding of isomeric carboranes C2B10H12 by p-Bu(t)-calix[5]arene.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5449","5453","10.1039/b611399k","","","0.71073","MoKα","","0.2772","0.1341","","","0.3179","0.4522","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007842","35.564","0.003","35.564","","17.908","0.002","90","","90","","120","","19615","3","153","2","153","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C57.25 H85.17 B10.83 Cl0.17 O6 -","- C57.245 H83.17 B10.84 Cl0.17 O6.005 -","- C686.94 H998.04 B130.08 Cl2.04 O72.06 -","12","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Solution and solid state studies on the binding of isomeric carboranes C2B10H12 by p-Bu(t)-calix[5]arene.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5449","5453","10.1039/b611399k","","","0.71073","MoKα","","0.2801","0.108","","","0.2564","0.3985","","","","","","1.002","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007843","35.477","0.003","35.477","","17.92","0.002","90","","90","","120","","19533","3","153","2","153","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C57.25 H85.17 B10.83 Cl0.17 O6 -","- C57.245 H84.17 B10.84 Cl0.17 O6.005 -","- C686.94 H1010.04 B130.08 Cl2.04 O72.06 -","12","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Solution and solid state studies on the binding of isomeric carboranes C2B10H12 by p-Bu(t)-calix[5]arene.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5449","5453","10.1039/b611399k","","","0.71073","MoKα","","0.183","0.1089","","","0.282","0.3777","","","","","","1.024","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007844","12.425","0.001","12.008","0.001","26.694","0.002","90","","98.814","0.001","90","","3935.7","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","m-Carborane (calix(5)arene) clathrate dichloromethane solvate","","","- C38 H44 B10 Cl2 O5 -","- C38 H44 B10 Cl2 O5 -","- C152 H176 B40 Cl8 O20 -","4","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Solution and solid state studies on the binding of isomeric carboranes C2B10H12 by p-Bu(t)-calix[5]arene.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5449","5453","10.1039/b611399k","","","0.71073","MoKα","","0.062","0.045","","","0.1157","0.1292","","","","","","1.021","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007845","6.77","0.003","35.555","0.016","7.066","0.003","90","","102.402","0.008","90","","1661.1","1.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pentafluoroHgCl/fluorene","","","- C19 H10 Cl F5 Hg -","- C19 H10 Cl F5 Hg -","- C76 H40 Cl4 F20 Hg4 -","4","0.5","","Taylor, Thomas J.; Burress, Charlotte N.; Pandey, Laxman; Gabbaï, François P","Structural and photophysical studies of phenanthrene adducts involving C6F5HgCl and [o-C6F4Hg]3.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4654","4656","10.1039/b611564k","","","0.71073","MoKα","","0.0928","0.0684","","","0.1496","0.1575","","","","","","0.999","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007846","6.8616","0.0013","7.0831","0.0015","17.709","0.004","86.437","0.003","85.845","0.004","80.699","0.005","846","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","pentafluorophenylHgCl/phenanthrene","","","- C20 H10 Cl F5 Hg -","- C20 H10 Cl F5 Hg -","- C40 H20 Cl2 F10 Hg2 -","2","1","","Taylor, Thomas J.; Burress, Charlotte N.; Pandey, Laxman; Gabbaï, François P","Structural and photophysical studies of phenanthrene adducts involving C6F5HgCl and [o-C6F4Hg]3.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4654","4656","10.1039/b611564k","","","0.71073","MoKα","","0.1103","0.0721","","","0.1505","0.1923","","","","","","0.992","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007847","6.6689","0.0013","20.645","0.004","10.14","0.002","90","","94.22","0.03","90","","1392.3","0.5","110","2","110","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","trimer / phenanthrene","","","- C32 H10 F12 Hg3 -","- C32 H10 F12 Hg3 -","- C64 H20 F24 Hg6 -","2","0.5","","Taylor, Thomas J.; Burress, Charlotte N.; Pandey, Laxman; Gabbaï, François P","Structural and photophysical studies of phenanthrene adducts involving C6F5HgCl and [o-C6F4Hg]3.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4654","4656","10.1039/b611564k","","","0.71073","MoKα","","0.0445","0.0371","","","0.0946","0.0986","","","","","","1.002","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007848","10.7884","0.0014","10.7884","0.0014","14.867","0.004","90","","90","","90","","1730.4","0.6","168","2","168","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","Cmpd2","","","- C20 H28 N2 -","- C20 H28 N2 -","- C80 H112 N8 -","4","0.5","","Fitchett, Christopher M.; Steel, Peter J.","Chiral heterocyclic ligands. XIV. Control of directionality in silver coordination polymers through ligand design.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4886","4888","10.1039/b611622c","","","0.71073","MoKα","","0.0392","0.0379","","","0.1045","0.1063","","","","","","1.07","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007849","13.721","0.004","14.368","0.004","22.876","0.006","90","","90","","90","","4510","2","168","2","168","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cmpd5","","","- C20 H28 Ag N3 O4 -","- C20 H28 Ag N3 O4.0705 -","- C160 H224 Ag8 N24 O32.564 -","8","2","","Fitchett, Christopher M.; Steel, Peter J.","Chiral heterocyclic ligands. XIV. Control of directionality in silver coordination polymers through ligand design.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4886","4888","10.1039/b611622c","","","0.71073","MoKα","","0.0672","0.0421","","","0.1071","0.1199","","","","","","0.999","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007850","7.368","0.003","28.931","0.01","7.214","0.002","90","","90","","90","","1537.8","0.9","168","2","168","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Cmpd6","","","- C26 H30 Ag2 N6 O8 -","- C26 H30 Ag2 N6 O8.33 -","- C52 H60 Ag4 N12 O16.66 -","2","0.5","","Fitchett, Christopher M.; Steel, Peter J.","Chiral heterocyclic ligands. XIV. Control of directionality in silver coordination polymers through ligand design.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4886","4888","10.1039/b611622c","","","0.71073","MoKα","","0.0683","0.0555","","","0.1485","0.156","","","","","","1.058","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007851","7.5518","0.0015","8.174","0.0016","14.052","0.003","100.08","0.03","101.81","0.03","96.24","0.03","826.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Compound 2","Compound 2","","- C19 H19 B F4 N2 -","- C19 H19 B F4 N2 -","- C38 H38 B2 F8 N4 -","2","1","","Cavell, Kingsley J.; Elliott, Mark C.; Nielsen, David J.; Paine, James S.","Chiral N-heterocyclic carbene ligands based on a biisoquinoline template","Dalton Transactions","2006","","41","4922","","10.1039/B611647G","","","0.71073","MoKα","","0.0963","0.0721","","","0.1828","0.1979","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007852","8.021","0.0016","10.697","0.002","12.929","0.003","71.95","0.03","86.98","0.03","74.82","0.03","1017.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Compound 4","Compound 4","","- C23 H27 B F4 N2 -","- C23 H27 B F4 N2 -","- C46 H54 B2 F8 N4 -","2","1","","Cavell, Kingsley J.; Elliott, Mark C.; Nielsen, David J.; Paine, James S.","Chiral N-heterocyclic carbene ligands based on a biisoquinoline template","Dalton Transactions","2006","","41","4922","","10.1039/B611647G","","","0.71073","MoKα","","0.0847","0.0529","","","0.1179","0.1352","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007853","12.41","0.0003","12.796","0.0003","15.129","0.0004","100.433","0.001","99.417","0.001","111.286","0.001","2131.48","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Complex 5","Complex 5","","- C44 H49 I2 N4 O1.5 Pd -","- C44 H49 I2 N4 O1.5 Pd -","- C88 H98 I4 N8 O3 Pd2 -","2","1","","Cavell, Kingsley J.; Elliott, Mark C.; Nielsen, David J.; Paine, James S.","Chiral N-heterocyclic carbene ligands based on a biisoquinoline template","Dalton Transactions","2006","","41","4922","","10.1039/B611647G","","","0.71073","MoKα","","0.0917","0.0524","","","0.131","0.147","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007854","32.505","0.004","9.9996","0.0011","17.8876","0.0019","90","","102.609","0.002","90","","5673.9","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,6-Diisopropyl-phenyl)-(1-diphenylphosphanyl-1H-pyrrol-2- ylmethylene)-amine palladium dichloride","","- C29 H31 Cl2 N2 P Pd -","- C29 H31 Cl2 N2 P Pd -","- C232 H248 Cl16 N16 P8 Pd8 -","8","1","","Anderson, Carly E.; Batsanov, Andrei S.; Dyer, Philip W.; Fawcett, John; Howard, Judith A. K.","Chelating N-pyrrolylphosphino-N'-arylaldimine ligands: synthesis, ligand behaviour and applications in catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5362","5378","10.1039/b611652c","","","0.71073","MoKα","","0.0274","0.0251","","","0.0648","0.066","","","","","","1.07","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007855","13.742","0.003","17.691","0.004","14.077","0.003","90","","91.965","0.004","90","","3420.2","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3,5-Dimethyl-phenyl)-(bis-(diisopropyl)aminophosphanyl)- (1H-pyrrol-2-ylmethylene)-amine palladium dichloride, dichloromethane disolvate","","- C27 H45 Cl6 N4 P Pd -","- C27 H45 Cl6 N4 P Pd -","- C108 H180 Cl24 N16 P4 Pd4 -","4","1","","Anderson, Carly E.; Batsanov, Andrei S.; Dyer, Philip W.; Fawcett, John; Howard, Judith A. K.","Chelating N-pyrrolylphosphino-N'-arylaldimine ligands: synthesis, ligand behaviour and applications in catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5362","5378","10.1039/b611652c","","","0.71073","MoKα","","0.0665","0.0454","","","0.0895","0.096","","","","","","0.985","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007856","10.0308","0.001","12.9207","0.0013","13.9514","0.0014","92.56","0.01","93.53","0.01","91.99","0.01","1801.7","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Bis{(2,4,6-Trimethyl-phenyl)-(pyrrolato)} nickel","","- C28 H30 N4 Ni -","- C28 H30 N4 Ni -","- C84 H90 N12 Ni3 -","3","1.5","","Anderson, Carly E.; Batsanov, Andrei S.; Dyer, Philip W.; Fawcett, John; Howard, Judith A. K.","Chelating N-pyrrolylphosphino-N'-arylaldimine ligands: synthesis, ligand behaviour and applications in catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5362","5378","10.1039/b611652c","","","0.71073","MoKα","","0.0565","0.0385","","","0.0881","0.0943","","","","","","1.034","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007857","10.6181","0.0018","12.059","0.002","16.523","0.003","73.335","0.003","73.499","0.003","72.36","0.002","1885.9","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H49 B16 Cl Ir2 -","- C20 H49 B16 Cl Ir2 -","- C40 H98 B32 Cl2 Ir4 -","2","1","","Carr, Michael J.; Perera, Sarath D.; Jelínek, Tomás; Kilner, Colin A.; Clegg, William; Stíbr, Bohumil; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. Cluster opening and B-frame rearrangement in the reaction of B(16)H(20) with [{(IrCl(2)(eta(5)-C(5)Me(5))}(2)]. Synchrotron X-ray structures of [(eta(5)-C(5)Me(5))(2)Ir(2)B(16)H(17)Cl] and [(eta(5)-C(5)Me(5))(2)Ir(2)B(16)H(15)Cl].","Dalton transactions (Cambridge, England : 2003)","2006","","44","5221","5224","10.1039/b611734a","","","0.684","synchrotron","","0.0523","0.0449","","","0.1153","0.1199","","","","","","1.104","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007858","11.517","0.0005","31.2197","0.0013","9.6161","0.0004","90","","113.337","0.001","90","","3174.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H45 B16 Cl Ir2 -","- C20 H45 B16 Cl Ir2 -","- C80 H180 B64 Cl4 Ir8 -","4","1","","Carr, Michael J.; Perera, Sarath D.; Jelínek, Tomás; Kilner, Colin A.; Clegg, William; Stíbr, Bohumil; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. Cluster opening and B-frame rearrangement in the reaction of B(16)H(20) with [{(IrCl(2)(eta(5)-C(5)Me(5))}(2)]. Synchrotron X-ray structures of [(eta(5)-C(5)Me(5))(2)Ir(2)B(16)H(17)Cl] and [(eta(5)-C(5)Me(5))(2)Ir(2)B(16)H(15)Cl].","Dalton transactions (Cambridge, England : 2003)","2006","","44","5221","5224","10.1039/b611734a","","","0.6932","synchrotron","","0.0463","0.0409","","","0.1005","0.1028","","","","","","1.081","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007859","8.7688","0.0018","15.849","0.003","17.55","0.004","90","","90","","90","","2439","0.9","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Al Cl Fe N2 O2 -","- C24 H36 Al Cl Fe N2 O2 -","- C96 H144 Al4 Cl4 Fe4 N8 O8 -","4","1","","Jones, Cameron; Aldridge, Simon; Gans-Eichler, Timo; Stasch, Andreas","Synthesis and characterisation of complexes of Group 13 metal amidinate heterocycles with the CpFe(CO)2 fragment.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5357","5361","10.1039/b611758a","","","0.71073","MoKα","","0.0449","0.0351","","","0.0726","0.0765","","","","","","1.025","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007860","8.758","0.0018","15.865","0.003","17.65","0.004","90","","90","","90","","2452.4","0.9","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cl Fe Ga N2 O2 -","- C24 H36 Cl Fe Ga N2 O2 -","- C96 H144 Cl4 Fe4 Ga4 N8 O8 -","4","1","","Jones, Cameron; Aldridge, Simon; Gans-Eichler, Timo; Stasch, Andreas","Synthesis and characterisation of complexes of Group 13 metal amidinate heterocycles with the CpFe(CO)2 fragment.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5357","5361","10.1039/b611758a","","","0.71073","MoKα","","0.0363","0.0318","","","0.0656","0.0673","","","","","","1.052","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007861","16.618","0.003","9.4461","0.0019","13.563","0.003","90","","92.57","0.03","90","","2126.9","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cl Fe Ga N2 O2 -","- C18 H28 Cl Fe Ga N2 O2 -","- C72 H112 Cl4 Fe4 Ga4 N8 O8 -","4","1","","Jones, Cameron; Aldridge, Simon; Gans-Eichler, Timo; Stasch, Andreas","Synthesis and characterisation of complexes of Group 13 metal amidinate heterocycles with the CpFe(CO)2 fragment.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5357","5361","10.1039/b611758a","","","0.71073","MoKα","","0.0319","0.0252","","","0.0574","0.0601","","","","","","1.04","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007862","9.3802","0.0019","10.71","0.002","15.261","0.003","109.94","0.03","92.94","0.03","91.5","0.03","1437.8","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 Br Fe In N2 O2 -","- C24 H36 Br Fe In N2 O2 -","- C48 H72 Br2 Fe2 In2 N4 O4 -","2","1","","Jones, Cameron; Aldridge, Simon; Gans-Eichler, Timo; Stasch, Andreas","Synthesis and characterisation of complexes of Group 13 metal amidinate heterocycles with the CpFe(CO)2 fragment.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5357","5361","10.1039/b611758a","","","0.71073","MoKα","","0.0385","0.0304","","","0.0712","0.0742","","","","","","1.076","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007863","30.023","0.005","17.78","0.005","26.41","0.005","90","0.005","115.322","0.005","90","0.005","12743","5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H58 B F24 Fe Ga N2 O3 -","- C60 H58 B F24 Fe Ga N2 O3 -","- C480 H464 B8 F192 Fe8 Ga8 N16 O24 -","8","2","","Jones, Cameron; Aldridge, Simon; Gans-Eichler, Timo; Stasch, Andreas","Synthesis and characterisation of complexes of Group 13 metal amidinate heterocycles with the CpFe(CO)2 fragment.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5357","5361","10.1039/b611758a","","","0.71069","MoKα","","0.1611","0.1188","","","0.3001","0.3302","","","","","","1.086","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007864","13.873","0.003","20.005","0.004","31.856","0.006","90","","91.5","0.03","90","","8838","3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C80 H85 B F24 Fe2 Ga2 N4 O5 -","- C80 H85 B F24 Fe2 Ga2 N4 O5 -","- C320 H340 B4 F96 Fe8 Ga8 N16 O20 -","4","1","","Jones, Cameron; Aldridge, Simon; Gans-Eichler, Timo; Stasch, Andreas","Synthesis and characterisation of complexes of Group 13 metal amidinate heterocycles with the CpFe(CO)2 fragment.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5357","5361","10.1039/b611758a","","","0.71073","MoKα","","0.0976","0.0779","","","0.2024","0.2147","","","","","","1.02","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007865","10.862","0.0008","13.4683","0.0008","14.3179","0.001","84.571","0.004","73.894","0.004","76.674","0.004","1957.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H76 Gd2 Mn3 N4 O24 -","- C68 H76 Gd2 Mn3 N4 O24 -","- C68 H76 Gd2 Mn3 N4 O24 -","1","0.5","","Wu, Bin","Synthesis, structure and magnetic properties of the first Mn(II)-Gd(III) heteronuclear complex.","Dalton transactions (Cambridge, England : 2003)","2006","","43","5113","5114","10.1039/b612019a","","","0.71069","MoKα","","0.0728","0.0556","","","0.1555","0.168","","","","","","1.031","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007866","35.046","0.004","13.018","0.0017","23.823","0.003","90","","97.571","0.008","90","","10774","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","1b","","","- C43 H41 B11 Cl6 F Ir P2 -","- C43 H41 B11 Cl6 F Ir P2 -","- C344 H328 B88 Cl48 F8 Ir8 P16 -","8","1","","Moxham, Gemma L.; Douglas, Thomas M.; Brayshaw, Simon K.; Kociok-Köhn, Gabriele; Lowe, John P.; Weller, Andrew S.","The role of halogenated carborane monoanions in olefin hydrogenation catalysed by cationic iridium phosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5492","5505","10.1039/b612049k","","","0.71073","MoKα","","0.2923","0.1691","","","0.3706","0.4497","","","","","","1.076","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007867","15.732","0.0001","16.962","0.0002","20.425","0.0002","71.146","0.0005","79.174","0.0004","88.906","0.0004","5061.02","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","3b","","","- C37.75 H39.5 B11 Cl1.5 I6 Ir P2 -","- C37.75 H39.5 B11 Cl1.5 I6 Ir P2 -","- C151 H158 B44 Cl6 I24 Ir4 P8 -","4","2","","Moxham, Gemma L.; Douglas, Thomas M.; Brayshaw, Simon K.; Kociok-Köhn, Gabriele; Lowe, John P.; Weller, Andrew S.","The role of halogenated carborane monoanions in olefin hydrogenation catalysed by cationic iridium phosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5492","5505","10.1039/b612049k","","","0.71073","MoKα","","0.0527","0.0372","","","0.0869","0.0949","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007868","13.737","0.0002","15.39","0.0002","17.55","0.0003","90","","105.952","0.001","90","","3567.41","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","8b","","","- C17 H30 B11 I6 Ir P2 -","- C17 H30 B11 I6 Ir P2 -","- C68 H120 B44 I24 Ir4 P8 -","4","1","","Moxham, Gemma L.; Douglas, Thomas M.; Brayshaw, Simon K.; Kociok-Köhn, Gabriele; Lowe, John P.; Weller, Andrew S.","The role of halogenated carborane monoanions in olefin hydrogenation catalysed by cationic iridium phosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5492","5505","10.1039/b612049k","","","0.71073","MoKα","","0.0373","0.0344","","","0.0851","0.087","","","","","","1.133","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007869","14.095","0.0001","18.4279","0.0002","22.3514","0.0002","67.904","0.001","81.927","0.001","80.159","0.001","5281.57","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","4d","","","- C108 H85.5 B Cl3 F24 Ir2 P4 -","- C108 H85.5 B Cl3 F24 Ir2 P4 -","- C216 H171 B2 Cl6 F48 Ir4 P8 -","2","1","","Moxham, Gemma L.; Douglas, Thomas M.; Brayshaw, Simon K.; Kociok-Köhn, Gabriele; Lowe, John P.; Weller, Andrew S.","The role of halogenated carborane monoanions in olefin hydrogenation catalysed by cationic iridium phosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5492","5505","10.1039/b612049k","","","0.71073","MoKα","","0.061","0.0442","","","0.1158","0.1278","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007870","17.578","0.003","25.708","0.005","10.673","0.002","90","","90","","90","","4823.1","1.5","213","2","213","2","","","","","","","","3","F d d 2","F 2 -2d","43","H2mpeptea","","","- C27 H25 N9 -","- C27 H25 N9 -","- C216 H200 N72 -","8","0.5","","Cotton, F. Albert; Chao, Hui; Murillo, Carlos A.; Wang, Qingsheng","A trimetal chain cocooned by two heptadentate polypyridylamide ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5416","5422","10.1039/b612076h","","","0.71073","MoKα","","0.0529","0.0435","","","0.1097","0.1168","","","","","","1.038","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007871","21.001","0.005","44.077","0.011","13.966","0.003","90","","98.094","0.005","90","","12799","5","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ni3(epeptea)2Cl2,4CH3OH,0.5H2O","","","- C62 H70 Cl2 N18 Ni3 O4.5 -","- C62 H70 Cl2 N18 Ni3 O4.5 -","- C496 H560 Cl16 N144 Ni24 O36 -","8","2","","Cotton, F. Albert; Chao, Hui; Murillo, Carlos A.; Wang, Qingsheng","A trimetal chain cocooned by two heptadentate polypyridylamide ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5416","5422","10.1039/b612076h","","","0.71073","MoKα","","0.1478","0.0755","","","0.1718","0.2092","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007872","23.186","0.004","15.723","0.003","28.092","0.004","90","","100.041","0.003","90","","10084","3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ni3(epeptea)2(BPh4)2,3CH2Cl2","","","- C109 H100 B2 Cl6 N18 Ni3 -","- C109 H100 B2 Cl6 N18 Ni3 -","- C436 H400 B8 Cl24 N72 Ni12 -","4","1","","Cotton, F. Albert; Chao, Hui; Murillo, Carlos A.; Wang, Qingsheng","A trimetal chain cocooned by two heptadentate polypyridylamide ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5416","5422","10.1039/b612076h","","","0.71073","MoKα","","0.1563","0.0929","","","0.2216","0.2625","","","","","","1.074","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007873","25.708","0.005","15.112","0.003","26.789","0.005","90","","109.406","0.003","90","","9816","3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ni3(mpeptea)2(BPh4)2,3CH3COCH3","","","- C111 H105 B2 N18 Ni3 O3 -","- C111 H105 B2 N18 Ni3 O3 -","- C444 H420 B8 N72 Ni12 O12 -","4","1","","Cotton, F. Albert; Chao, Hui; Murillo, Carlos A.; Wang, Qingsheng","A trimetal chain cocooned by two heptadentate polypyridylamide ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5416","5422","10.1039/b612076h","","","0.71073","MoKα","","0.1206","0.06","","","0.1454","0.1776","","","","","","1.034","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007874","13.986","0.007","14.116","0.007","31.151","0.015","85.761","0.008","78.517","0.008","80.128","0.009","5933","5","213","2","213","2","","","","","","","","7","P -1","-P 1","2","Ni3(mpeptea)2(PF6)2,0.75CH3COCH3,0.5H2O","","","- C56.25 H50.5 F12 N18 Ni3 O1.25 P2 -","- C56.25 H50.5 F12 N18 Ni3 O1.25 P2 -","- C225 H202 F48 N72 Ni12 O5 P8 -","4","2","","Cotton, F. Albert; Chao, Hui; Murillo, Carlos A.; Wang, Qingsheng","A trimetal chain cocooned by two heptadentate polypyridylamide ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5416","5422","10.1039/b612076h","","","0.71073","MoKα","","0.1109","0.0617","","","0.1457","0.1767","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007875","24.6279","0.0004","29.1485","0.0004","15.3707","0.0003","90","","90","","90","","11034.1","0.3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C58 H50 N12 Ni3 O8 S4 -","- C58 H50 N12 Ni3 O8 S4 -","- C464 H400 N96 Ni24 O64 S32 -","8","0.5","","Huang, Ming-Yi; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming","Control of magnetic spin states by various mixed anionic ligands in trinickel complexes: synthesis, crystal structures and physical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5683","5690","10.1039/b612123c","","","0.71073","MoKα","","0.0445","0.0337","","","0.0791","0.084","","","","","","1.048","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007876","15.804","0.0007","17.4684","0.0008","19.0282","0.0009","70.131","0.001","67.748","0.001","87.126","0.001","4553.8","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C35.5 H39 Cl3 N12 Ni3 O9 S4 -","- C35.5 H39 Cl3 N12 Ni3 O9 S4 -","- C142 H156 Cl12 N48 Ni12 O36 S16 -","4","2","","Huang, Ming-Yi; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming","Control of magnetic spin states by various mixed anionic ligands in trinickel complexes: synthesis, crystal structures and physical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5683","5690","10.1039/b612123c","","","0.71073","MoKα","","0.0846","0.0702","","","0.1559","0.1633","","","","","","1.134","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007877","15.6867","0.0002","14.9385","0.0002","20.4837","0.0003","90","","102.55","0.0008","90","","4685.38","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 N12 Ni3 O4.5 -","- C46 H45 N12 Ni3 O4.5 -","- C184 H180 N48 Ni12 O18 -","4","1","","Huang, Ming-Yi; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming","Control of magnetic spin states by various mixed anionic ligands in trinickel complexes: synthesis, crystal structures and physical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5683","5690","10.1039/b612123c","","","0.71073","MoKα","","0.0818","0.0668","","","0.1888","0.2013","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007878","23.4817","0.0003","14.3337","0.0002","23.9519","0.0003","90","","105.064","0.0006","90","","7784.68","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72.61 H75.42 N18.2 Ni3 O11.2 S4 -","- C72.606 H75.414 N18.202 Ni3 O11.202 S4 -","- C290.424 H301.656 N72.808 Ni12 O44.808 S16 -","4","0.5","","Huang, Ming-Yi; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming","Control of magnetic spin states by various mixed anionic ligands in trinickel complexes: synthesis, crystal structures and physical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5683","5690","10.1039/b612123c","","","0.71073","MoKα","","0.0932","0.0733","","","0.2147","0.2328","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007879","12.9703","0.0002","15.1127","0.0002","19.0513","0.0003","82.2079","0.0007","81.4266","0.0008","64.9834","0.0007","3335.23","0.09","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H54 B Cl4 F4 N12 Ni3 O8 S4 -","- C60 H54 B Cl4 F4 N12 Ni3 O8 S4 -","- C120 H108 B2 Cl8 F8 N24 Ni6 O16 S8 -","2","1","","Huang, Ming-Yi; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming","Control of magnetic spin states by various mixed anionic ligands in trinickel complexes: synthesis, crystal structures and physical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5683","5690","10.1039/b612123c","","","0.71073","MoKα","","0.1089","0.0772","","","0.212","0.2374","","","","","","1.052","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007880","18.9738","0.0004","13.6219","0.0003","17.4912","0.0004","90","","90","","90","","4520.76","0.17","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H44 N12 Ni3 O9 S4 -","- C38 H44 N12 Ni3 O9 S4 -","- C152 H176 N48 Ni12 O36 S16 -","4","1","","Huang, Ming-Yi; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming","Control of magnetic spin states by various mixed anionic ligands in trinickel complexes: synthesis, crystal structures and physical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5683","5690","10.1039/b612123c","","","0.71073","MoKα","","0.073","0.0559","","","0.1503","0.1647","","","","","","1.036","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007881","16.6618","0.0007","15.133","0.0006","30.2751","0.0013","90","","97.029","0.001","90","","7576.3","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis((mu!2$-1-4-7-10-tetra-azacyclododecane-1,4,7,10-tetrayl- methyl-(trimethylene-tris(phenylphosphinato)))-gadolinium(iii)) decahydrate","bis((μ~2~-1-4-7-10-tetra-azacyclododecane-1,4,7,10-tetrayl-methyl- (trimethylene-tris(phenylphosphinato)))-gadolinium(III)) decahydrate","","- C64 H108 Gd2 N8 O22 P6 -","- C64 H108 Gd2 N8 O22 P6 -","- C256 H432 Gd8 N32 O88 P24 -","4","0.5","","Senanayake, Kanthi; Thompson, Amber L.; Howard, Judith A. K.; Botta, Mauro; Parker, David","Synthesis and characterisation of dimeric eight-coordinate lanthanide(III) complexes of a macrocyclic tribenzylphosphinate ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5423","5428","10.1039/b612189f","","","0.71073","MoKα","","0.0498","0.0271","","","0.0418","0.0473","","","","","","0.908","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007882","16.6586","0.0008","15.1326","0.0007","30.2862","0.0015","90","","97.014","0.001","90","","7577.6","0.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis((mu!2$-1-4-7-10-tetra-azacyclododecane-1,4,7,10-tetrayl- methyl-(trimethylene-tris(phenylphosphinato)))-europium(iii)) decahydrate","bis((μ~2~-1-4-7-10-tetra-azacyclododecane-1,4,7,10-tetrayl-methyl- (trimethylene-tris(phenylphosphinato)))-europium(III)) decahydrate","","- C64 H108 Eu2 N8 O22 P6 -","- C64 H108 Eu2 N8 O22 P6 -","- C256 H432 Eu8 N32 O88 P24 -","4","0.5","","Senanayake, Kanthi; Thompson, Amber L.; Howard, Judith A. K.; Botta, Mauro; Parker, David","Synthesis and characterisation of dimeric eight-coordinate lanthanide(III) complexes of a macrocyclic tribenzylphosphinate ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5423","5428","10.1039/b612189f","","","0.71073","MoKα","","0.0833","0.0689","","","0.1062","0.1092","","","","","","1.42","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007883","11.2286","0.0012","11.2774","0.0012","16.8782","0.0017","98.094","0.002","107.307","0.002","97.237","0.002","1988.1","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","bis((mu!2$-1-4-7-10-tetra-azacyclododecane-1,4,7,10-tetrayl- methyl-(trimethylene-tris(phenylphosphinato)))-europium(iii)) tridecahydrate","bis((μ~2~-1-4-7-10-tetra-azacyclododecane-1,4,7,10-tetrayl-methyl- (trimethylene-tris(phenylphosphinato)))-europium(III)) tridecahydrate","","- C64 H114 Eu2 N8 O25 P6 -","- C64 H88 Eu2 N8 O25 P6 -","- C64 H88 Eu2 N8 O25 P6 -","1","0.5","","Senanayake, Kanthi; Thompson, Amber L.; Howard, Judith A. K.; Botta, Mauro; Parker, David","Synthesis and characterisation of dimeric eight-coordinate lanthanide(III) complexes of a macrocyclic tribenzylphosphinate ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5423","5428","10.1039/b612189f","","","0.71073","MoKα","","0.1149","0.0613","","","0.1009","0.1168","","","","","","1.024","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007884","15.0422","0.0005","14.8814","0.0005","14.3581","0.0005","90","","110.378","0.002","90","","3012.9","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 B10 I4 -","- C2 H8 B10 I4 -","- C16 H64 B80 I32 -","8","2","","Vaca, Albert; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Viñas, Clara","A solvent-free regioselective iodination route of ortho-carboranes.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4884","4885","10.1039/b612465h","","x-ray","0.71073","Mokα","","0.0814","0.0417","","","0.0855","0.093","","","","","","1.049","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007885","10.0569","0.0004","15.2555","0.0005","13.0206","0.0005","90","","99.686","0.002","90","","1969.18","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 B10 I4 -","- C8 H12 B10 I4 -","- C32 H48 B40 I16 -","4","1","","Vaca, Albert; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Viñas, Clara","A solvent-free regioselective iodination route of ortho-carboranes.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4884","4885","10.1039/b612465h","","x-ray","0.71073","Mokα","","0.052","0.039","","","0.0744","0.0793","","","","","","1.053","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007886","15.288","0.003","17.861","0.004","18.576","0.004","89.91","0.03","79.01","0.03","71.23","0.03","4705","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C95 H118.5 Al2 Li9 N12 -","- C95 H118.5 Al2 Li9 N12 -","- C190 H237 Al4 Li18 N24 -","2","1","","Boss, Sally R.; Coles, Martyn P.; Eyre-Brook, Vicki; García, Felipe; Haigh, Robert; Hitchcock, Peter B.; McPartlin, Mary; Morey, James V.; Naka, Hiroshi; Raithby, Paul R.; Sparkes, Hazel A.; Tate, Christopher W.; Wheatley, Andrew E. H.","Encapsulation of hydride by molecular main group metal clusters: manipulating the source and coordination sphere of the interstitial ion.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5574","5582","10.1039/b612782g","","","0.71073","MoKα","","0.072","0.0611","","","0.1654","0.1745","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007887","12.276","0.001","9.607","0.001","15.981","0.001","90","","97.55","0.01","90","","1868.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Al Li N2 O -","- C18 H26 Al Li N2 O -","- C72 H104 Al4 Li4 N8 O4 -","4","1","","Boss, Sally R.; Coles, Martyn P.; Eyre-Brook, Vicki; García, Felipe; Haigh, Robert; Hitchcock, Peter B.; McPartlin, Mary; Morey, James V.; Naka, Hiroshi; Raithby, Paul R.; Sparkes, Hazel A.; Tate, Christopher W.; Wheatley, Andrew E. H.","Encapsulation of hydride by molecular main group metal clusters: manipulating the source and coordination sphere of the interstitial ion.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5574","5582","10.1039/b612782g","","","0.71069","MoKα","","0.0821","0.0508","","","0.1508","0.175","","","","","","1.039","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007888","32.584","0.007","18.681","0.004","16.545","0.003","90","","105.96","0.03","90","","9683","4","180","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H139 Al2 Li9 N12 -","- C86 H139 Al2 Li9 N12 -","- C344 H556 Al8 Li36 N48 -","4","0.5","","Boss, Sally R.; Coles, Martyn P.; Eyre-Brook, Vicki; García, Felipe; Haigh, Robert; Hitchcock, Peter B.; McPartlin, Mary; Morey, James V.; Naka, Hiroshi; Raithby, Paul R.; Sparkes, Hazel A.; Tate, Christopher W.; Wheatley, Andrew E. H.","Encapsulation of hydride by molecular main group metal clusters: manipulating the source and coordination sphere of the interstitial ion.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5574","5582","10.1039/b612782g","","","0.71073","MoKα","","0.1082","0.0731","","","0.195","0.2195","","","","","","1.077","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007889","17.486","0.004","15.323","0.003","23.014","0.005","90","","97.66","0.03","90","","6111","2","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H97 B Li8 N18 -","- C52 H97 B Li8 N18 -","- C208 H388 B4 Li32 N72 -","4","1","","Boss, Sally R.; Coles, Martyn P.; Eyre-Brook, Vicki; García, Felipe; Haigh, Robert; Hitchcock, Peter B.; McPartlin, Mary; Morey, James V.; Naka, Hiroshi; Raithby, Paul R.; Sparkes, Hazel A.; Tate, Christopher W.; Wheatley, Andrew E. H.","Encapsulation of hydride by molecular main group metal clusters: manipulating the source and coordination sphere of the interstitial ion.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5574","5582","10.1039/b612782g","","","0.71073","MoKα","","0.1266","0.0783","","","0.2066","0.237","","","","","","1.044","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7007890","22.756","0.005","15.126","0.003","16.689","0.003","90","","94.85","0.03","90","","5724","2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H89 B Li8 N18 -","- C48 H89 B Li8 N18 -","- C192 H356 B4 Li32 N72 -","4","1","","Boss, Sally R.; Coles, Martyn P.; Eyre-Brook, Vicki; García, Felipe; Haigh, Robert; Hitchcock, Peter B.; McPartlin, Mary; Morey, James V.; Naka, Hiroshi; Raithby, Paul R.; Sparkes, Hazel A.; Tate, Christopher W.; Wheatley, Andrew E. H.","Encapsulation of hydride by molecular main group metal clusters: manipulating the source and coordination sphere of the interstitial ion.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5574","5582","10.1039/b612782g","","","0.71073","MoKα","","0.1341","0.1025","","","0.2812","0.3141","","","","","","1.021","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007891","11.549","0.002","11.797","0.002","12.229","0.002","100.1","0.03","99.96","0.03","95.86","0.03","1600.4","0.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H104 B2 Li8 N18 -","- C54 H104 B2 Li8 N18 -","- C54 H104 B2 Li8 N18 -","1","0.5","","Boss, Sally R.; Coles, Martyn P.; Eyre-Brook, Vicki; García, Felipe; Haigh, Robert; Hitchcock, Peter B.; McPartlin, Mary; Morey, James V.; Naka, Hiroshi; Raithby, Paul R.; Sparkes, Hazel A.; Tate, Christopher W.; Wheatley, Andrew E. H.","Encapsulation of hydride by molecular main group metal clusters: manipulating the source and coordination sphere of the interstitial ion.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5574","5582","10.1039/b612782g","","","0.71073","MoKα","","0.0919","0.0864","","","0.2347","0.2399","","","","","","1.019","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007892","8.2354","0.0009","9.3496","0.0011","11.5484","0.0013","95.643","0.002","97.344","0.002","108.028","0.002","829.6","0.16","293","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cl2 Co N4 O -","- C16 H14 Cl2 Co N4 O -","- C32 H28 Cl4 Co2 N8 O2 -","2","1","","Mohr, Fabian; Cerrada, Elena; Laguna, Mariano","Synthesis and coordination chemistry of an alkyne functionalised bis(pyrazolyl)methane ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5567","5573","10.1039/b613311h","","","0.71073","MoKα","","0.068","0.0462","","","0.076","0.0832","","","","","","0.864","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007893","9.2557","0.0003","7.5895","0.0003","9.8876","0.0003","90","","95.411","0.003","90","","691.47","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C32 H28 N8 O2 -","2","1","","Mohr, Fabian; Cerrada, Elena; Laguna, Mariano","Synthesis and coordination chemistry of an alkyne functionalised bis(pyrazolyl)methane ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5567","5573","10.1039/b613311h","","","0.71073","MoKα","","0.0419","0.0359","","","0.0891","0.091","","","","","","1.148","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007894","8.1822","0.0004","9.1228","0.0005","11.7847","0.0006","96.504","0.001","95.641","0.001","103.383","0.001","843.18","0.08","100","2","373","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cl2 N4 O Zn -","- C16 H14 Cl2 N4 O Zn -","- C32 H28 Cl4 N8 O2 Zn2 -","2","1","","Mohr, Fabian; Cerrada, Elena; Laguna, Mariano","Synthesis and coordination chemistry of an alkyne functionalised bis(pyrazolyl)methane ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5567","5573","10.1039/b613311h","","","0.71073","MoKα","","0.0276","0.0251","","","0.0638","0.065","","","","","","1.06","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007895","9.1249","0.0014","24.72","0.004","16.67","0.003","90","","101.913","0.003","90","","3679.2","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 Ag F6 N3 P S3 -","- C36 H41 Ag F6 N3 P S3 -","- C144 H164 Ag4 F24 N12 P4 S12 -","4","1","","Vasilescu, Ioana M.; Bray, David J.; Clegg, Jack K.; Lindoy, Leonard F.; Meehan, George V.; Wei, Gang","Rational ligand design for metal ion recognition. Synthesis of a N-benzylated N2S3-donor macrocycle for enhanced silver(I) discrimination.","Dalton transactions (Cambridge, England : 2003)","2006","","43","5115","5117","10.1039/b613636m","","","0.71073","MoKα","","0.0635","0.0383","","","0.0816","0.0894","","","","","","1.016","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007896","10.36","0.002","10.444","0.002","10.817","0.003","109.97","0.005","108.158","0.004","91.615","0.005","1033.3","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","meso-Poly-(dimethylindium norcamphor oximate)","","","- C36 H64 In4 N4 O4 -","- C36 H64 In4 N4 O4 -","- C36 H64 In4 N4 O4 -","1","0.5","","Ullrich, Matthias; Berger, Raphael J. F.; Pape, Tania; Mitzel, Norbert W.","Expectation and surprise in group 13 organometallics: molecular vs. polymeric aggregation of Me2Ga and Me2In norcamphor oximates.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5334","5336","10.1039/b614193e","","","0.71073","MoKα","","0.0425","0.0339","","","0.069","0.072","","","","","","1.03","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007897","19.297","0.004","8.408","0.0016","12.601","0.002","90","","90.53","0.004","90","","2044.4","0.7","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","meso-Bis-(dimethylgallium norcamphor oximate)","","","- C18 H32 Ga2 N2 O2 -","- C18 H32 Ga2 N2 O2 -","- C72 H128 Ga8 N8 O8 -","4","0.5","","Ullrich, Matthias; Berger, Raphael J. F.; Pape, Tania; Mitzel, Norbert W.","Expectation and surprise in group 13 organometallics: molecular vs. polymeric aggregation of Me2Ga and Me2In norcamphor oximates.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5334","5336","10.1039/b614193e","","","0.71073","MoKα","","0.0665","0.0384","","","0.0733","0.0817","","","","","","1.005","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7035742","5.45243","","5.45243","","12.6927","","90","","90","","90","","377.341","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(La1.9 Sr0.1) Ni O4","","- La1.9 Ni O14 Sr0.1 -","- La0.95 Ni0.5 O9 Sr0.05 -","- La3.8 Ni2 O36 Sr0.2 -","4","0.125","","Aguadero, A.; Escudero, M.J.; Pomjakushin, V.; Perez, M.; Alonso, J.A.; Daza, L.","Effect of Sr content on the crystal structure and electrical properties of the system La(2-x) Sr(x) Ni O(4+delta) (0 <= x <=1 )","Journal of the Chemical Society. Dalton Transactions","2006","2006","","4377","4383","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035743","5.4288","","5.4288","","12.7032","","90","","90","","90","","374.387","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(La1.75 Sr0.25) Ni O4.036","","- La1.75 Ni O14 Sr0.25 -","- La0.875 Ni0.5 O9 Sr0.125 -","- La3.5 Ni2 O36 Sr0.5 -","4","0.125","","Aguadero, A.; Escudero, M.J.; Pomjakushin, V.; Alonso, J.A.; Perez, M.; Daza, L.","Effect of Sr content on the crystal structure and electrical properties of the system La(2-x) Sr(x) Ni O(4+delta) (0 <= x <=1 )","Journal of the Chemical Society. Dalton Transactions","2006","2006","","4377","4383","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035744","8.6894","","8.6894","","8.6894","","90","","90","","90","","656.099","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","Na8 (Be3 Si9 O24) Cl2","","- Be3 Cl2 Na8 O24 Si9 -","- Be3 Cl2 Na8 O24 Si9 -","- Be3 Cl2 Na8 O24 Si9 -","1","0.0208333","","Armstrong, J.A.; Weller, M.T.","New sodalite frameworks; synthetic tugtupite and a beryllosilicate framework with a 3:1 Si:Be ratio","DALTON TRANSACTIONS (CAMBRIDGE, ENGLAND : 2003)","2006","2006","","2998","3005","","","","","","","","","","","","","","","","","","","","","","has coordinates","150352","2020-10-21","18:00:00",""
"7035745","8.7298","","8.7298","","8.7298","","90","","90","","90","","665.293","","","","","","","","","","","","","6","I -4 3 m","I -4 2 3","217","","Na8 (Al2 Be2 Si8 O24) Cl2","","- Al2 Be2 Cl2 Na8 O24 Si8 -","- Al2.0004 Be2.0004 Cl2 Na8 O24 Si8.0004 -","- Al2.0004 Be2.0004 Cl2 Na8 O24 Si8.0004 -","1","0.0208333","","Armstrong, J.A.; Weller, M.T.","New sodalite frameworks; synthetic tugtupite and a beryllosilicate framework with a 3:1 Si:Be ratio","DALTON TRANSACTIONS (CAMBRIDGE, ENGLAND : 2003)","2006","2006","","2998","3005","","","","","","","","","","","","","","","","","","","","","","has coordinates","150353","2020-10-21","18:00:00",""
"7035746","8.8184","","8.8184","","8.8184","","90","","90","","90","","685.756","","","","","","","","","","","","","6","I -4 3 m","I -4 2 3","217","","Na8 (Al4 Be Si7 O24) Cl2","","- Al4 Be Cl2 Na8 O24 Si7 -","- Al3.9996 Be0.9996 Cl2 Na8 O24 Si6.9996 -","- Al3.9996 Be0.9996 Cl2 Na8 O24 Si6.9996 -","1","0.0208333","","Armstrong, J.A.; Weller, M.T.","New sodalite frameworks; synthetic tugtupite and a beryllosilicate framework with a 3:1 Si:Be ratio","DALTON TRANSACTIONS (CAMBRIDGE, ENGLAND : 2003)","2006","2006","","2998","3005","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035747","8.8799","","8.8799","","8.8799","","90","","90","","90","","700.203","","","","","","","","","","","","","6","I -4 3 m","I -4 2 3","217","","Na8 (Al4 Be Si7 O24) Br2","","- Al4 Be Br2 Na8 O24 Si7 -","- Al3.9996 Be0.9996 Br2 Na8 O24 Si6.9996 -","- Al3.9996 Be0.9996 Br2 Na8 O24 Si6.9996 -","1","0.0208333","","Armstrong, J.A.; Weller, M.T.","New sodalite frameworks; synthetic tugtupite and a beryllosilicate framework with a 3:1 Si:Be ratio","DALTON TRANSACTIONS (CAMBRIDGE, ENGLAND : 2003)","2006","2006","","2998","3005","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035749","5.3919","","5.3919","","12.7135","","90","","90","","90","","369.614","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(La1.25 Sr0.75) Ni O4","","- La1.25 Ni O4 Sr0.75 -","- La0.625 Ni0.5 O3 Sr0.375 -","- La2.5 Ni2 O12 Sr1.5 -","4","0.125","","Aguadero, A.; Escudero, M.J.; Perez, M.; Alonso, J.A.; Pomjakushin, V.; Daza, L.","Effect of Sr content on the crystal structure and electrical properties of the system La(2-x) Sr(x) Ni O(4+delta) (0 <= x <=1 )","Journal of the Chemical Society. Dalton Transactions","2006","2006","","4377","4383","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035750","5.3969","","5.3969","","12.7331","","90","","90","","90","","370.871","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(La Sr) Ni O4","","- La Ni O4 Sr -","- La0.5 Ni0.5 O3 Sr0.5 -","- La2 Ni2 O12 Sr2 -","4","0.125","","Aguadero, A.; Alonso, J.A.; Escudero, M.J.; Perez, M.; Pomjakushin, V.; Daza, L.","Effect of Sr content on the crystal structure and electrical properties of the system La(2-x) Sr(x) Ni O(4+delta) (0 <= x <=1 )","Journal of the Chemical Society. Dalton Transactions","2006","2006","","4377","4383","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035751","13.1187","","9.8552","","6.0295","","90","","103.432","","90","","758.215","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Cu4 (O H0.0367 D0.9633)6 (S O4)","","- Cu4 D5.7798 H0.2202 O10 S -","- Cu4 D5.78 H0.22 O10 S -","- Cu16 D23.12 H0.88 O40 S4 -","4","1","","Vilminot, S.; Andre, G.; Richard-Plouet, M.; Swierczynski, D.; Bouree-Vigneron, F.; Kurmoo, M.","Nuclear and magnetic structures and magnetic properties of synthetic brochantite, Cu4 (O H)6 S O4","DALTON TRANSACTIONS (CAMBRIDGE, ENGLAND : 2003)","2006","2006","","1455","1462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035752","13.1187","","9.8552","","6.0295","","90","","103.432","","90","","758.215","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Cu4 (O H0.0217 D0.9783)6 (S O4)","","- Cu4 D5.8698 H0.1302 O10 S -","- Cu4 D5.87 H0.13 O10 S -","- Cu16 D23.48 H0.52 O40 S4 -","4","1","","Vilminot, S.; Richard-Plouet, M.; Swierczynski, D.; Andre, G.; Bouree-Vigneron, F.; Kurmoo, M.","Nuclear and magnetic structures and magnetic properties of synthetic brochantite, Cu4 (O H)6 S O4","DALTON TRANSACTIONS (CAMBRIDGE, ENGLAND : 2003)","2006","2006","","1455","1462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7051509","11.2742","0.0012","12.8807","0.0013","15.1438","0.0016","88.712","0.002","89.247","0.003","85.25","0.002","2190.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H52 Br2 Fe2 N4 O2 -","- C48 H52 Br2 Fe2 N4 O2 -","- C96 H104 Br4 Fe4 N8 O4 -","2","1","","Bai, Yan; Zhang, Bing-Guang; Duan, Chun-Ying; Dang, Dong-Bin; Meng, Qing-Jin","Anion induced binding electrochemical signal transduction in ferrocenyl benzolimidazolium podands","New Journal of Chemistry","2006","30","2","266","","10.1039/b508173d","","","0.71073","MoKα","","0.2007","0.0634","","","0.1112","0.1667","","","","","","1.02","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051510","12.011","0.001","21.169","0.002","27.819","0.003","90","","98.45","0.002","90","","6996.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H69 Br3 Fe3 N6 O2 -","- C67 H63 Br3.01 Fe3 N6 O2 -","- C268 H252 Br12.04 Fe12 N24 O8 -","4","1","","Bai, Yan; Zhang, Bing-Guang; Duan, Chun-Ying; Dang, Dong-Bin; Meng, Qing-Jin","Anion induced binding electrochemical signal transduction in ferrocenyl benzolimidazolium podands","New Journal of Chemistry","2006","30","2","266","","10.1039/b508173d","","","0.71073","MoKα","","0.3928","0.076","","","0.1438","0.2371","","","","","","0.988","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051511","8.366","0.003","11.036","0.004","11.379","0.004","90","","100.58","0.006","90","","1032.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,3-dimethyl-4-nitroimidazolium methylsulfate","","","- C6 H11 N3 O6 S -","- C6 H11 N3 O6 S -","- C24 H44 N12 O24 S4 -","4","1","","Katritzky, Alan R.; Yang, Hongfang; Zhang, Dazhi; Kirichenko, Kostyantyn; Smiglak, Marcin; Holbrey, John D.; Reichert, W. Matthew; Rogers, Robin D.","Strategies toward the design of energetic ionic liquids: nitro- and nitrile-substituted N,N′-dialkylimidazolium salts","New Journal of Chemistry","2006","30","3","349","","10.1039/b509260d","","","0.71073","MoKα","","0.0531","0.0385","","","0.0928","0.0992","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051512","9.872","0.002","12.839","0.003","9.5949","0.0019","90","","96.63","0.004","90","","1208","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-ethyl-3-methyl-4-nitroimidazolium triflate","","","- C7 H10 F3 N3 O5 S -","- C7 H10 F3 N3 O5 S -","- C28 H40 F12 N12 O20 S4 -","4","1","","Katritzky, Alan R.; Yang, Hongfang; Zhang, Dazhi; Kirichenko, Kostyantyn; Smiglak, Marcin; Holbrey, John D.; Reichert, W. Matthew; Rogers, Robin D.","Strategies toward the design of energetic ionic liquids: nitro- and nitrile-substituted N,N′-dialkylimidazolium salts","New Journal of Chemistry","2006","30","3","349","","10.1039/b509260d","","","0.71073","MoKα","","0.0253","0.024","","","0.0623","0.0631","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051513","8.113","0.002","12.596","0.004","17.035","0.005","70.065","0.005","81.042","0.005","77.57","0.005","1591.7","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","1,2,3 trimethyl-4 nitroimidazolium NTf2","","","- C8 H10 F6 N4 O6 S2 -","- C8 H10 F6 N4 O6 S2 -","- C32 H40 F24 N16 O24 S8 -","4","2","","Katritzky, Alan R.; Yang, Hongfang; Zhang, Dazhi; Kirichenko, Kostyantyn; Smiglak, Marcin; Holbrey, John D.; Reichert, W. Matthew; Rogers, Robin D.","Strategies toward the design of energetic ionic liquids: nitro- and nitrile-substituted N,N′-dialkylimidazolium salts","New Journal of Chemistry","2006","30","3","349","","10.1039/b509260d","","","0.71073","MoKα","","0.0505","0.0355","","","0.0839","0.0924","","","","","","1.04","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051514","6.882","0.003","11.924","0.005","13.324","0.006","90","","96.911","0.006","90","","1085.4","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,3-dimethyl-2-nitroimidazolium triflate","","","- C6 H8 F3 N3 O5 S -","- C6 H8 F3 N3 O5 S -","- C24 H32 F12 N12 O20 S4 -","4","1","","Katritzky, Alan R.; Yang, Hongfang; Zhang, Dazhi; Kirichenko, Kostyantyn; Smiglak, Marcin; Holbrey, John D.; Reichert, W. Matthew; Rogers, Robin D.","Strategies toward the design of energetic ionic liquids: nitro- and nitrile-substituted N,N′-dialkylimidazolium salts","New Journal of Chemistry","2006","30","3","349","","10.1039/b509260d","","","0.71073","MoKα","","0.0328","0.0308","","","0.0808","0.0822","","","","","","1.141","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051515","8.4703","0.0014","7.9","0.0013","8.9145","0.0015","90","","111.568","0.003","90","","554.75","0.16","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","1,3-dimethyl-4,5-dicyanoimidazolium methylsulfate","","","- C8 H10 N4 O4 S -","- C8 H7 N4 O4 S -","- C16 H14 N8 O8 S2 -","2","1","","Katritzky, Alan R.; Yang, Hongfang; Zhang, Dazhi; Kirichenko, Kostyantyn; Smiglak, Marcin; Holbrey, John D.; Reichert, W. Matthew; Rogers, Robin D.","Strategies toward the design of energetic ionic liquids: nitro- and nitrile-substituted N,N′-dialkylimidazolium salts","New Journal of Chemistry","2006","30","3","349","","10.1039/b509260d","","","0.71073","MoKα","","0.0379","0.034","","","0.0965","0.0986","","","","","","1.087","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051516","11.1991","0.0006","15.293","0.001","19.008","0.001","75.286","0.004","86.453","0.004","82.786","0.003","3122.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H66 N24 O28.5 S4 -","- C40 H66 N24 O28.3 S4 -","- C80 H132 N48 O56.6 S8 -","2","1","","Lazar, Adina N.; Danylyuk, Oksana; Suwinska, Kinga; Coleman, Anthony W.","Assembly modes in the solid state structure of the complexes of melamine mono-cations with para-calix[4]arene sulfonic acid and calix[4]arene dihydroxyphosphonic acid","New Journal of Chemistry","2006","30","1","59","","10.1039/b510232b","","","0.71073","MoKα","","0.106","0.069","","","0.1476","0.1598","","","","","","1.08","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7051517","22.1727","0.0009","12.4313","0.0007","19.508","0.001","90","","103.281","0.003","90","","5233.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H68 N18 O20 P2 -","- C39 H68 N18 O20 P2 -","- C156 H272 N72 O80 P8 -","4","1","","Lazar, Adina N.; Danylyuk, Oksana; Suwinska, Kinga; Coleman, Anthony W.","Assembly modes in the solid state structure of the complexes of melamine mono-cations with para-calix[4]arene sulfonic acid and calix[4]arene dihydroxyphosphonic acid","New Journal of Chemistry","2006","30","1","59","","10.1039/b510232b","","","0.71073","MoKα","","0.1013","0.0565","","","0.0978","0.1104","","","","","","1.005","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7051518","28.659","0.005","6.8903","0.0012","24.209","0.004","90","","113.548","0.003","90","","4382.5","1.3","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N2 O6 P -","- C26 H21 N2 O6 P -","- C208 H168 N16 O48 P8 -","8","1","","Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn","Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts","New Journal of Chemistry","2006","","","","","10.1039/b510617f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051519","6.82","0.0011","12.3523","0.0019","25.48","0.004","90","","90","","90","","2146.5","0.6","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 N O6 P -","- C26 H18 N O6 P -","- C104 H72 N4 O24 P4 -","4","1","","Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn","Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts","New Journal of Chemistry","2006","","","","","10.1039/b510617f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051520","10.0813","0.0015","11.2429","0.0017","21.107","0.003","93.363","0.003","98.274","0.003","112.77","0.003","2165.7","0.6","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H48 N6 O13 P2 -","- C43 H48 N6 O13 P2 -","- C86 H96 N12 O26 P4 -","2","1","","Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn","Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts","New Journal of Chemistry","2006","","","","","10.1039/b510617f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051521","20.867","0.002","9.1006","0.0011","12.2266","0.0014","90","","97.654","0.002","90","","2301.2","0.5","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43.5 H54.5 Cu N4 O14 P2 -","- C43.498 H54.494 Cu N4 O14 P2 -","- C86.996 H108.988 Cu2 N8 O28 P4 -","2","0.5","","Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn","Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts","New Journal of Chemistry","2006","","","","","10.1039/b510617f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051522","41.876","0.006","8.6579","0.0013","13.225","0.002","90","","105.86","0.003","90","","4612.5","1.2","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 Cu O17 P2 -","- C46 H54 Cu O17 P2 -","- C184 H216 Cu4 O68 P8 -","4","0.5","","Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn","Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts","New Journal of Chemistry","2006","","","","","10.1039/b510617f","","","","","","","","","","","","","","","","","","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051523","42.544","0.0018","9.087","0.0004","12.373","0.0005","90","","98.755","0.0019","90","","4727.6","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H56 N4 Ni O14 P2 -","- C46 H56 N4 Ni O14 P2 -","- C184 H224 N16 Ni4 O56 P8 -","4","1","","Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn","Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts","New Journal of Chemistry","2006","","","","","10.1039/b510617f","","","","","","","","","","","","","","","","","","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051524","42.599","0.008","9.0906","0.0018","12.432","0.002","90","","98.762","0.004","90","","4758.1","1.6","203","2","203","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H56 N4 Ni O14 P2 -","- C46 H56 N4 Ni O14 P2 -","- C184 H224 N16 Ni4 O56 P8 -","4","1","","Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn","Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts","New Journal of Chemistry","2006","","","","","10.1039/b510617f","","","","","","","","","","","","","","","","","","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051525","8.2263","0.0016","8.5046","0.0017","9.812","0.002","111.91","0.03","90.79","0.03","102.23","0.03","619.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 B F4 N6 O2 -","- C8 H11 B F4 N6 O2 -","- C16 H22 B2 F8 N12 O4 -","2","1","","Armentano, Donatella; De Munno, Giovanni; Rossi, Rachele","The counterion as a useful tool to obtain complexes of cytosine with alkali metal ions","New Journal of Chemistry","2006","30","1","13","","10.1039/b511009b","","","0.71073","MoKα","","0.0734","0.0586","","","0.2534","0.262","","","","","","1.242","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051526","10.014","0.003","11.025","0.003","14.399","0.003","78.36","0.02","84.6","0.02","75.62","0.02","1506.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H7.66667 Cl N3 Na O6.33333 -","- C4 H7.66667 Cl N3 Na O6.33333 -","- C24 H46 Cl6 N18 Na6 O38 -","6","3","","Armentano, Donatella; De Munno, Giovanni; Rossi, Rachele","The counterion as a useful tool to obtain complexes of cytosine with alkali metal ions","New Journal of Chemistry","2006","30","1","13","","10.1039/b511009b","","","0.71073","MoKα","","0.128","0.0687","","","0.1888","0.2173","","","","","","0.94","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7051527","9.9433","0.0012","10.9857","0.0015","14.691","0.002","75.706","0.007","70.487","0.005","73.88","0.005","1431.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H7 Cl N3 Na O6 -","- C4 H7 Cl N3 Na O6 -","- C24 H42 Cl6 N18 Na6 O36 -","6","3","","Armentano, Donatella; De Munno, Giovanni; Rossi, Rachele","The counterion as a useful tool to obtain complexes of cytosine with alkali metal ions","New Journal of Chemistry","2006","30","1","13","","10.1039/b511009b","","","0.71073","MoKα","","0.0947","0.0756","","","0.2286","0.2434","","","","","","1.11","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7051528","26.2548","0.0008","26.2548","0.0008","12.7555","0.0005","90","","90","","90","","8792.6","0.5","120","2","120","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C48 H48 Cl N32 O24 -","- C48 H48 Cl N32 O24.02 -","- C192 H192 Cl4 N128 O96.08 -","4","0.25","","Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Judith A. K. Howard; Yuri A. Strelenko; Vladimir P. Fedin; Michael V. Alfimov; Sergey P. Gromov","Photoinduced and dark complexation of unsaturated viologen analogues containing two ammonium tails with cucurbit[8]uril","New Journal of Chemistry","2006","30","3","458","","10.1039/b511456j","","","0.71073","MoKα","","0.2546","0.1903","","","0.4958","0.5266","","","","","","1.941","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051529","15.521","0.0007","25.5665","0.0011","32.4483","0.0014","90","","101.039","0.002","90","","12637.8","1","120","0.2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98 H104 Br1.52 Cl2.48 N52 O35.1 -","- C98 H104 Br1.522 Cl2.478 N52 O35.584 -","- C392 H416 Br6.088 Cl9.912 N208 O142.336 -","4","1","","Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Judith A. K. Howard; Yuri A. Strelenko; Vladimir P. Fedin; Michael V. Alfimov; Sergey P. Gromov","Photoinduced and dark complexation of unsaturated viologen analogues containing two ammonium tails with cucurbit[8]uril","New Journal of Chemistry","2006","30","3","458","","10.1039/b511456j","","","0.71073","MoKα","","0.3045","0.1253","","","0.3255","0.3702","","","","","","0.921","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051530","12.07","0.03","16.8","0.03","17.13","0.03","72.25","0.16","74.7","0.2","71.82","0.14","3088","12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 F N5 O2 -","- C32 H50 F N5 O2 -","- C128 H200 F4 N20 O8 -","4","2","","Brooks, Simon J.; Edwards, Peter R.; Gale, Philip A.; Light, Mark E.","Carboxylate complexation by a family of easy-to-make ortho-phenylenediamine based bis-ureas: studies in solution and the solid state","New Journal of Chemistry","2006","30","1","65","","10.1039/b511963d","","","0.71073","MoKα","","0.2021","0.096","","","0.1573","0.1877","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051531","18.298","0.005","9.0305","0.0014","20.379","0.005","90","","101.76","0.02","90","","3296.7","1.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Cl N5 O2 -","- C32 H50 Cl N5 O2 -","- C128 H200 Cl4 N20 O8 -","4","1","","Brooks, Simon J.; Edwards, Peter R.; Gale, Philip A.; Light, Mark E.","Carboxylate complexation by a family of easy-to-make ortho-phenylenediamine based bis-ureas: studies in solution and the solid state","New Journal of Chemistry","2006","30","1","65","","10.1039/b511963d","","","0.71073","MoKα","","0.2671","0.1843","","","0.4916","0.5371","","","","","","1.895","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051532","7.9841","0.0003","26.3041","0.0011","8.9855","0.0002","90","","103.535","0.002","90","","1834.68","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 S2 -","- C20 H18 N4 S2 -","- C80 H72 N16 S8 -","4","1","","Brooks, Simon J.; Edwards, Peter R.; Gale, Philip A.; Light, Mark E.","Carboxylate complexation by a family of easy-to-make ortho-phenylenediamine based bis-ureas: studies in solution and the solid state","New Journal of Chemistry","2006","30","1","65","","10.1039/b511963d","","","0.71073","MoKα","","0.1028","0.0522","","","0.1063","0.1242","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051533","13.0454","0.0005","5.0255","0.001","13.777","0.002","90","","96.005","0.009","90","","898.3","0.2","173","","","","","","","","","","Local laboratory","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H14 Cl2 Hg N4 O2 -","- C18 H14 Cl2 Hg N4 O2 -","- C36 H28 Cl4 Hg2 N8 O4 -","2","0.5","","Pansanel, Jérôme; Jouaiti, Abdelaziz; Ferlay, Sylvie; Wais Hosseini, Mir; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: generation of 2-D molecular networks by combination of coordination and hydrogen bonds","New Journal of Chemistry","2006","30","1","71","","10.1039/b512569n","","","0.71073","MoKα","","0.0484","0.0328","","","0.0784","0.0912","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051534","8.3336","0.0002","9.2373","0.0002","11.4459","0.0003","90","","94.207","0.005","90","","878.73","0.04","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl2 Hg N4 O2 -","- C18 H14 Cl2 Hg0.5 N4 O2 -","- C36 H28 Cl4 Hg N8 O4 -","2","0.5","","Pansanel, Jérôme; Jouaiti, Abdelaziz; Ferlay, Sylvie; Wais Hosseini, Mir; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: generation of 2-D molecular networks by combination of coordination and hydrogen bonds","New Journal of Chemistry","2006","30","1","71","","10.1039/b512569n","","","0.71073","Mo-Kα","","0.026","0.017","","0.036","","0.022","","","1.507","","","0.976","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051535","11.4271","0.001","6.9958","0.0019","15.189","0.003","90","","98.054","0.011","90","","1202.3","0.4","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","25R,5beta-spirostane-1beta,3alpha-diol","","","- C27 H44 O4 -","- C27 H44 O4 -","- C54 H88 O8 -","2","1","","Munro, Orde Q.; du Toit, Karen; Drewes, Siegfried E.; Crouch, Neil R.; Mulholland, Dulcie A.","Experimental and theoretical studies of a naturally occurring non-oligomeric steroidal supramolecular zipper","New Journal of Chemistry","2006","30","2","197","","10.1039/b513734a","","","0.71073","MoKα","","0.0414","0.038","","","0.1006","0.1038","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051536","7.9","0.002","10.14","0.003","23.717","0.004","90","","90","","90","","1899.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O7 S -","- C19 H18 N2 O7 S -","- C76 H72 N8 O28 S4 -","4","1","","Stefanowicz, Piotr; Jaremko, Łukasz; Jaremko, Mariusz; Lis, Tadeusz","Crystal-state studies on p-toluenesulfonates of N-oxyimides—a possible structural basis of serine proteases inhibition","New Journal of Chemistry","2006","30","2","258","","10.1039/b513741a","","","0.71073","MoKα","","0.0431","0.0333","","","0.0657","0.0677","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051537","9.847","0.003","11.791","0.003","11.014","0.003","90","","110.58","0.03","90","","1197.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O5 S -","- C11 H11 N O5 S -","- C44 H44 N4 O20 S4 -","4","1","","Stefanowicz, Piotr; Jaremko, Łukasz; Jaremko, Mariusz; Lis, Tadeusz","Crystal-state studies on p-toluenesulfonates of N-oxyimides—a possible structural basis of serine proteases inhibition","New Journal of Chemistry","2006","30","2","258","","10.1039/b513741a","","","0.71073","MoKα","","0.047","0.0423","","","0.1193","0.1229","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051538","7.764","0.002","10.265","0.003","19.787","0.004","90","","90","","90","","1577","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O7 S -","- C14 H16 N2 O7 S -","- C56 H64 N8 O28 S4 -","4","1","","Stefanowicz, Piotr; Jaremko, Łukasz; Jaremko, Mariusz; Lis, Tadeusz","Crystal-state studies on p-toluenesulfonates of N-oxyimides—a possible structural basis of serine proteases inhibition","New Journal of Chemistry","2006","30","2","258","","10.1039/b513741a","","","0.71073","MoKα","","0.0524","0.0422","","","0.0824","0.0858","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051539","14.343","","6.654","0.004","15.08","0.002","90","","108.16","0.03","90","","1367.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O5 S -","- C15 H11 N O5 S -","- C60 H44 N4 O20 S4 -","4","1","","Stefanowicz, Piotr; Jaremko, Łukasz; Jaremko, Mariusz; Lis, Tadeusz","Crystal-state studies on p-toluenesulfonates of N-oxyimides—a possible structural basis of serine proteases inhibition","New Journal of Chemistry","2006","30","2","258","","10.1039/b513741a","","","0.71073","MoKα","","0.0795","0.0563","","","0.1441","0.1567","","","","","","1.156","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051540","14.192","0.005","12.461","0.004","20.49","0.005","90","","105.51","0.03","90","","3491.6","1.9","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Lutetium betain-complex","","","- C84 H80 Lu2 O4 P2 -","- C84 H80 Lu2 O4 P2 -","- C168 H160 Lu4 O8 P4 -","2","0.5","","Rufanov, Konstantin A.; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","Synthesis and molecular structures of the first phosphoranylidene complexes of rare earth metals","New Journal of Chemistry","2006","30","1","29","","10.1039/b514439f","","","0.71073","MoKα","","0.1371","0.0843","","","0.1929","0.2278","","","","","","0.928","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051541","9.7457","0.0018","10.0458","0.0018","10.715","0.002","73.76","0.02","85.61","0.02","89.94","0.02","1004","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Triphenylphosphonium-ortho-methoxybenzylide","Triphenylphosphonium-ortho-methoxybenzylide","","- C26 H23 O P -","- C26 H23 O P -","- C52 H46 O2 P2 -","2","1","","Rufanov, Konstantin A.; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","Synthesis and molecular structures of the first phosphoranylidene complexes of rare earth metals","New Journal of Chemistry","2006","30","1","29","","10.1039/b514439f","","","0.71073","MoKα","","0.0537","0.0374","","","0.0889","0.0937","","","","","","0.934","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051542","12.513","0.003","14.455","0.003","19.023","0.004","86.89","0.03","75.64","0.03","70.68","0.03","3144.1","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H72 O6 P2 Y2 -","- C68 H72 O6 P2 Y2 -","- C136 H144 O12 P4 Y4 -","2","1","","Rufanov, Konstantin A.; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","Synthesis and molecular structures of the first phosphoranylidene complexes of rare earth metals","New Journal of Chemistry","2006","30","1","29","","10.1039/b514439f","","","0.71073","MoK\α","","0.1193","0.0624","","","0.1338","0.1511","","","","","","0.899","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051543","10.1222","0.0013","13.6129","0.0013","16.5563","0.0015","90","","90","","90","","2281.3","0.4","160","2","160","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H34 B N6 Nb -","- C21 H34 B N6 Nb -","- C84 H136 B4 N24 Nb4 -","4","1","","Teuma, Emmanuelle; Etienne, Michel; Donnadieu, Bruno; McGrady, G. Sean","Synthesis and structural characterisation of [TpMe2Nb(CH3)2(CH3CCCH3)] and [TpMe2NbCl(CH3)(CH3CCCH3)]: is there an intrinsic α-agostic interaction in alkyl complexes of the [TpMe2Nb(alkyne)] moiety?","New Journal of Chemistry","2006","30","3","409","","10.1039/b514820k","","","0.71073","MoKα","","0.0404","0.0318","","","0.0745","0.0776","","","","","","1.002","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051544","10.0681","0.0014","13.6445","0.0012","16.4959","0.0013","90","","90","","90","","2266.1","0.4","160","2","160","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H31 B Cl N6 Nb -","- C20 H31 B Cl N6 Nb -","- C80 H124 B4 Cl4 N24 Nb4 -","4","1","","Teuma, Emmanuelle; Etienne, Michel; Donnadieu, Bruno; McGrady, G. Sean","Synthesis and structural characterisation of [TpMe2Nb(CH3)2(CH3CCCH3)] and [TpMe2NbCl(CH3)(CH3CCCH3)]: is there an intrinsic α-agostic interaction in alkyl complexes of the [TpMe2Nb(alkyne)] moiety?","New Journal of Chemistry","2006","30","3","409","","10.1039/b514820k","","","0.71073","MoKα","","0.0863","0.0473","","","0.0892","0.1005","","","","","","0.942","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051545","9.4023","0.0005","15.7925","0.0005","16.3876","0.0005","90","","90","","90","","2433.33","0.17","120","2","120","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 Cl2 N5 Ni O9 -","- C16 H29 Cl2 N5 Ni O9 -","- C64 H116 Cl8 N20 Ni4 O36 -","4","1","","El Ghachtouli, Sanae; Cadiou, Cyril; Déchamps-Olivier, Isabelle; Chuburu, Françoise; Aplincourt, Michel; Patinec, Véronique; Le Baccon, Michel; Handel, Henri; Roisnel, Thierry","Nickel(ii) complexes of cyclen- and cyclam-pyridine: topological reorganisations induced by electron transfer","New Journal of Chemistry","2006","30","3","392","","10.1039/b515107d","","x-ray","0.71073","MoKα","","0.0679","0.0435","","","0.1082","0.124","","","","","","1.011","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051546","14.6107","0.0002","14.6567","0.0002","21.6728","0.0003","90","","90","","90","","4641.11","0.11","120","2","120","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Cl2 N6 Ni O8 -","- C16 H28 Cl2 N6 Ni O8 -","- C128 H224 Cl16 N48 Ni8 O64 -","8","1","","El Ghachtouli, Sanae; Cadiou, Cyril; Déchamps-Olivier, Isabelle; Chuburu, Françoise; Aplincourt, Michel; Patinec, Véronique; Le Baccon, Michel; Handel, Henri; Roisnel, Thierry","Nickel(ii) complexes of cyclen- and cyclam-pyridine: topological reorganisations induced by electron transfer","New Journal of Chemistry","2006","30","3","392","","10.1039/b515107d","","x-ray","0.71073","MoKα","","0.0493","0.037","","","0.0922","0.0997","","","","","","1.061","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051547","14.2314","0.0011","12.7251","0.0011","15.5407","0.0012","90","","98.313","0.004","90","","2784.8","0.4","120","2","120","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C20 H35 Cl2 N7 Ni O8 -","- C20 H35 Cl2 N7 Ni O8 -","- C80 H140 Cl8 N28 Ni4 O32 -","4","2","","El Ghachtouli, Sanae; Cadiou, Cyril; Déchamps-Olivier, Isabelle; Chuburu, Françoise; Aplincourt, Michel; Patinec, Véronique; Le Baccon, Michel; Handel, Henri; Roisnel, Thierry","Nickel(ii) complexes of cyclen- and cyclam-pyridine: topological reorganisations induced by electron transfer","New Journal of Chemistry","2006","30","3","392","","10.1039/b515107d","","x-ray","0.71073","MoKα","","0.1285","0.1009","","","0.2005","0.2187","","","","","","1.151","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051548","11.4252","0.0007","25.7105","0.0016","31.2552","0.0019","90","","90","","90","","9181.1","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H44 Cu2 N8 O4 -","- C58 H44 Cu2 N8 O4 -","- C464 H352 Cu16 N64 O32 -","8","1","","Mike Ward; Harry Adams; J. Jeffery; T. Riis-Johannessen; Tanya K. Ronson","Mixed Ligand Helicates and Mesocates","New Journal of Chemistry","2006","","","","","10.1039/b515154f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7051549","14.0294","0.0014","28.052","0.003","28.125","0.003","90","","90","","90","","11068.8","1.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H60 N8 O8 Zn2 -","- C62 H60 N8 O8 Zn2 -","- C496 H480 N64 O64 Zn16 -","8","1","","Mike Ward; Harry Adams; J. Jeffery; T. Riis-Johannessen; Tanya K. Ronson","Mixed Ligand Helicates and Mesocates","New Journal of Chemistry","2006","","","","","10.1039/b515154f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7051550","8.161","0.0001","19.739","0.0001","14.516","0.0001","90","","104.864","0.0004","90","","2260.13","0.03","110","","110","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Ni P2 -","- C20 H44 Ni P2 -","- C80 H176 Ni4 P8 -","4","1","","Scherer, Wolfgang; Eickerling, Georg; Shorokhov, Dmitry; Gullo, Emanuel; McGrady, G. Sean; Sirsch, Peter","Valence shell charge concentrations and the Dewar‒Chatt‒Duncanson bonding model","New Journal of Chemistry","2006","30","3","309","","10.1039/b515171f","","","0.71073","MoKa","","0.0174","0.0692","","","","0.0205","","","","","","0.739","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051551","8.329","0.002","23.399","0.006","9.458","0.003","90","","108.075","0.009","90","","1752.3","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N'-Acetyl-2-(octyloxy)benzohydrazide","","","- C17 H26 N2 O3 -","- C17 H26 N2 O3 -","- C68 H104 N8 O12 -","4","1","","Yang, Yong; Zhang, Ya-Zhou; Tang, Ya-Lin; Chen, Chuan-Feng","A programmed hydrogen bonding array self-assembles into a polymeric zipper-like architecture","New Journal of Chemistry","2006","30","2","140","","10.1039/b515559b","","","0.71073","MoKα","","0.0766","0.0497","","","0.1166","0.1356","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051552","28.56","0.02","14.706","0.01","15.859","0.011","90","","113.1","0.02","90","","6127","7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H46 N4 O6 -","- C28 H46 N4 O6 -","- C224 H368 N32 O48 -","8","1","","Yang, Yong; Zhang, Ya-Zhou; Tang, Ya-Lin; Chen, Chuan-Feng","A programmed hydrogen bonding array self-assembles into a polymeric zipper-like architecture","New Journal of Chemistry","2006","30","2","140","","10.1039/b515559b","","","0.71073","MoKα","","0.3462","0.125","","","0.2706","0.3791","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051553","30.4401","0.0014","21.4415","0.001","22.4453","0.0011","90","","110.96","0.0008","90","","13680.3","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.5 H53 Au2 Cl3 F10 P4 Pt -","- C73.5 H51 Au2 Cl3 F10 P4 Pt -","- C588 H408 Au16 Cl24 F80 P32 Pt8 -","8","2","","Berenguer, Jesús R.; Chaouche, Naima; Forniés, Juan; Fortuño, Consuelo; Martín, Antonio","Coordination of a monomeric diphosphido platinum complex as a bridging ligand","New Journal of Chemistry","2006","30","3","473","","10.1039/b517726j","","","0.71073","MoKα","","0.0502","0.032","","","0.0578","0.0603","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051554","12.682","0.0001","23.978","0.0003","21.791","0.0003","90","","101.224","0.001","90","","6499.66","0.13","223","2","223","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H50 Ag2 F10 P4 Pt -","- C72 H50 Ag2 F10 P4 Pt -","- C288 H200 Ag8 F40 P16 Pt4 -","4","1","","Berenguer, Jesús R.; Chaouche, Naima; Forniés, Juan; Fortuño, Consuelo; Martín, Antonio","Coordination of a monomeric diphosphido platinum complex as a bridging ligand","New Journal of Chemistry","2006","30","3","473","","10.1039/b517726j","","","0.71073","MoKα","","0.0519","0.0316","","","0.0874","0.1236","","","","","","1.03","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7052223","34.86","0.04","14.79","0.017","40.64","0.04","90","","97.108","0.01","90","","20792","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H115 N27 O20.5 Y2 -","- C81 H105 N27 O20.5 Y2 -","- C648 H840 N216 O164 Y16 -","8","1","","Michael J. Hudson; Carole E. Boucher; Damien Braekers; Jean F. Desreux; Michael G. B. Drew; Mark R. St J. Foreman; Laurence M. Harwood; Clément Hill; Charles Madic; Frank Marken; Tristan G. A. Youngs","New bis(triazinyl) pyridines for selective extraction of americium(<small>III</small>)","New Journal of Chemistry","2006","30","8","1171","","10.1039/b514108g","","","0.71073","MoKα","","0.2879","0.094","","","0.2028","0.2678","","","","","","0.841","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052224","14.496","0.015","11.318","0.012","16.793","0.018","90","","102.403","0.01","90","","2691","5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H35 N7 -","- C27 H35 N7 -","- C108 H140 N28 -","4","1","","Michael J. Hudson; Carole E. Boucher; Damien Braekers; Jean F. Desreux; Michael G. B. Drew; Mark R. St J. Foreman; Laurence M. Harwood; Clément Hill; Charles Madic; Frank Marken; Tristan G. A. Youngs","New bis(triazinyl) pyridines for selective extraction of americium(<small>III</small>)","New Journal of Chemistry","2006","30","8","1171","","10.1039/b514108g","","","0.71073","MoKα","","0.1778","0.0874","","","0.2086","0.2422","","","","","","0.937","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052225","9.4608","0.0012","17.042","0.002","20.513","0.003","90","","98.124","0.002","90","","3274.1","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 N4 O6 P -","- C32 H43 N4 O6 P -","- C128 H172 N16 O24 P4 -","4","1","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.0646","0.0473","","","0.1333","0.1431","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052226","17.235","0.003","18.659","0.004","13.113","0.003","90","","90","","90","","4217","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41 H55 N4 O6 P -","- C41 H55 N4 O6 P -","- C164 H220 N16 O24 P4 -","4","0.5","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.1132","0.0487","","","0.13","0.164","","","","","","0.989","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052227","16.7166","0.0011","15.0867","0.0019","19.0574","0.0014","90","","106.401","0.013","90","","4610.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H58 N3 O7 P -","- C47 H58 N3 O7 P -","- C188 H232 N12 O28 P4 -","4","1","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.2268","0.0724","","","0.1616","0.2228","","","","","","1.018","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052228","11.9655","0.0009","22.0001","0.0017","13.987","0.0011","90","","94.257","0.001","90","","3671.8","0.5","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 N3 O6 P S -","- C33 H50 N3 O6 P S -","- C132 H200 N12 O24 P4 S4 -","4","1","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.0566","0.0404","","","0.1047","0.1163","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052229","10.4788","0.0007","10.866","0.0007","16.3413","0.0011","92.567","0.001","103.112","0.001","111.997","0.001","1662.8","0.19","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H42 Cl N2 O6 P S -","- C30 H42 Cl N2 O6 P S -","- C60 H84 Cl2 N4 O12 P2 S2 -","2","1","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.0607","0.0418","","","0.1051","0.1125","","","","","","0.962","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052230","9.274","0.002","17.798","0.003","24.057","0.007","90","","96.367","0.015","90","","3946.3","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 N3 O6 P S -","- C38 H50 N3 O6 P S -","- C152 H200 N12 O24 P4 S4 -","4","1","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.1382","0.0575","","","0.1373","0.1938","","","","","","1.046","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052231","19.6085","0.0011","19.8928","0.0011","19.3009","0.0011","90","","111.853","0.001","90","","6987.7","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 N4 O6 P S -","- C33 H45 N4 O6 P S -","- C264 H360 N32 O48 P8 S8 -","8","2","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.0686","0.0484","","","0.1352","0.1445","","","","","","1.031","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052232","10.6859","0.0004","10.7325","0.0004","14.5858","0.0005","73.297","0.003","74.559","0.003","77.321","0.003","1525.75","0.1","295","2","295","2","","","","","","","","3","P -1","-P 1","2","2,3-bis(4-benzyloxy-3-methoxy-benzilidene)-succinic acid methanol solvate","2,3-bis(4-benzyloxy-3-methoxy-benzilidene)-succinic acid methanol solvate","","- C35 H34 O9 -","- C35 H34 O9 -","- C70 H68 O18 -","2","1","","Giannellini, Valerio; Bambagiotti-Alberti, Massimo; Bruni, Bruno; Di Vaira, Massimo","Structural and conformational study of two solvates of a fulgenic acid derivative","New Journal of Chemistry","2006","30","4","647","","10.1039/b515266f","","","1.5418","CuKα","","0.0455","0.0369","","","0.0954","0.0991","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052233","10.929","0.001","11.708","0.001","15.385","0.002","101.68","0.01","106.69","0.01","96.91","0.01","1812.9","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","2,3-bis(4-benzyloxy-3-methoxy-benzilidene)-succinic acid buthanol solvate","2,3-bis(4-benzyloxy-3-methoxy-benzilidene)-succinic acid buthanol solvate","","- C38 H40 O9 -","- C38 H40 O9 -","- C76 H80 O18 -","2","1","","Giannellini, Valerio; Bambagiotti-Alberti, Massimo; Bruni, Bruno; Di Vaira, Massimo","Structural and conformational study of two solvates of a fulgenic acid derivative","New Journal of Chemistry","2006","30","4","647","","10.1039/b515266f","","","1.5418","CuKα","","0.1054","0.0577","","","0.1575","0.1774","","","","","","0.787","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052234","10.54","0.001","11.616","0.001","18.944","0.006","101.42","0.01","104.02","0.01","98.35","0.01","2159.7","0.8","178","2","178","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H72 O3.5 -","- C49 H33.5 O3.5 -","- C98 H67 O7 -","2","1","","Torsten Müller; Wilhelm Seichter; Edwin Weber","Synthesis, crystalline inclusion and structural study of bulkily stoppered and rigid framework molecular constructions","New Journal of Chemistry","2006","30","5","751","","10.1039/b516244k","","","1.5418","CuKα","","0.1134","0.0993","","0.2778","0.2639","","","","1.205","1.303","1.303","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052235","6.401","0.003","9.533","0.003","11.538","0.003","103.85","0.03","92.84","0.03","105.71","0.03","653.1","0.4","133","2","133","2","","","","","","","","2","P -1","-P 1","2","","","","- C36 H38 -","- C36 H38 -","- C36 H38 -","1","0.5","","Torsten Müller; Wilhelm Seichter; Edwin Weber","Synthesis, crystalline inclusion and structural study of bulkily stoppered and rigid framework molecular constructions","New Journal of Chemistry","2006","30","5","751","","10.1039/b516244k","","","1.5418","CuKα","","0.0487","0.0385","","0.1163","0.105","","","","0.994","1.027","1.027","","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052236","6.662","0.0002","10.16","0.0003","11.1284","0.0003","114.744","0.002","92.734","0.002","101.36","0.002","663.47","0.04","93","2","93","2","","","","","","","","2","P -1","-P 1","2","","","","- C38 H38 -","- C38 H38 -","- C38 H38 -","1","0.5","","Torsten Müller; Wilhelm Seichter; Edwin Weber","Synthesis, crystalline inclusion and structural study of bulkily stoppered and rigid framework molecular constructions","New Journal of Chemistry","2006","30","5","751","","10.1039/b516244k","","","0.71073","MoKα","","0.0698","0.0448","","","0.1158","0.1457","","","","","","0.967","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052237","6.853","0.003","25.898","0.003","37.211","0.003","90","0.03","95.29","0.03","90","0.03","6576","3","183","2","183","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C42 H48 -","- C42 H48 -","- C336 H384 -","8","2","","Torsten Müller; Wilhelm Seichter; Edwin Weber","Synthesis, crystalline inclusion and structural study of bulkily stoppered and rigid framework molecular constructions","New Journal of Chemistry","2006","30","5","751","","10.1039/b516244k","","","1.5418","CuKα","","0.0955","0.0696","","0.2077","0.1852","","","","1.079","1.089","1.089","","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052238","21.7567","0.0007","12.5555","0.0004","19.2403","0.0006","90","","109.834","0.002","90","","4944","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H76 O2 -","- C64 H76 O2 -","- C256 H304 O8 -","4","1","","Torsten Müller; Wilhelm Seichter; Edwin Weber","Synthesis, crystalline inclusion and structural study of bulkily stoppered and rigid framework molecular constructions","New Journal of Chemistry","2006","30","5","751","","10.1039/b516244k","","","0.71073","MoKα","","0.0988","0.0613","","","0.1422","0.1703","","","","","","0.921","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052239","10.7534","0.0006","11.5581","0.0006","19.0689","0.0011","98.037","0.003","105.183","0.003","99.764","0.003","2211.5","0.2","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C57 H62.5 N2.5 -","- C57 H62 N2.5 -","- C114 H124 N5 -","2","1","","Torsten Müller; Wilhelm Seichter; Edwin Weber","Synthesis, crystalline inclusion and structural study of bulkily stoppered and rigid framework molecular constructions","New Journal of Chemistry","2006","30","5","751","","10.1039/b516244k","","","0.71073","MoKα","","0.0811","0.047","","","0.0678","0.0705","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052240","11.987","","36.016","","8.417","","90","","105.49","","90","","3501.83","","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Cl Cu N4 O11 Pd -","- C33 H35 Cl Cu N4 O11 Pd -","- C132 H140 Cl4 Cu4 N16 O44 Pd4 -","4","1","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Metal complexes as second-sphere ligands","New Journal of Chemistry","2006","30","4","521","","10.1039/b517989k","","","0.7107","MoKα","","0.1762","0.067","","","0.1201","0.1481","","","","","","1.005","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052241","12.543","","35.525","","8.437","","90","","105.64","","90","","3620.25","","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 Cl Cu N4 O11 Pd -","- C35 H33 Cl Cu N4 O11 Pd -","- C140 H132 Cl4 Cu4 N16 O44 Pd4 -","4","1","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Metal complexes as second-sphere ligands","New Journal of Chemistry","2006","30","4","521","","10.1039/b517989k","","","0.7107","MoKα","","0.2402","0.0706","","","0.1094","0.1501","","","","","","0.945","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052242","12.6386","0.0012","35.11","0.002","8.4367","0.0006","90","","106.723","0.01","90","","3585.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cl Cu N4 Ni O11 -","- C35 H35 Cl Cu N4 Ni O11 -","- C140 H140 Cl4 Cu4 N16 Ni4 O44 -","4","1","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Metal complexes as second-sphere ligands","New Journal of Chemistry","2006","30","4","521","","10.1039/b517989k","","","0.71073","MoKα","","0.136","0.0382","","","0.0545","0.0721","","","","","","0.757","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052243","11.587","0.002","18.303","0.004","21.919","0.004","90","","90","","90","","4648.5","1.5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Co Cu N4 O4 S2 -","- C21 H20 Co Cu N4 O4 S2 -","- C168 H160 Co8 Cu8 N32 O32 S16 -","8","1","","Costes, Jean-Pierre; Gheorghe, Ruxandra; Andruh, Marius; Shova, Sergiu; Clemente Juan, Juan-Modesto","An original 1D Cu‒Co heterometallic compound: synthesis, structure and magnetic properties","New Journal of Chemistry","2006","30","4","572","","10.1039/b518029e","","","0.71073","MoKα","","0.1352","0.0555","","","0.0735","0.0937","","","","","","0.993","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052244","17.771","0.004","24.755","0.003","12.338","0.004","90","","90","","90","","5428","2","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H23 Fe2 N O5 W -","- C28 H23 Fe2 N O5 W -","- C224 H184 Fe16 N8 O40 W8 -","8","1","","Konrad Kowalski; Janusz Zakrzewski; Marcin Palusiak; Sławomir Domagała","Aryl (ferrocenyl)-capped ethenylazaferrocenes: synthesis, structure and electrochemistry","New Journal of Chemistry","2006","30","6","901","","10.1039/b600022c","","","0.71073","MoKα","","","0.0671","","","","0.1969","","","","","","0.93","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052245","8.2271","0.0002","14.3223","0.0003","15.7025","0.0004","76.877","0.004","89.004","0.004","82.816","0.004","1787.66","0.08","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Cu2 N4 O12 S2 -","- C30 H36 Cu2 N4 O12 S2 -","- C60 H72 Cu4 N8 O24 S4 -","2","1","","Jérôme Pansanel; Abdelaziz Jouaiti; Sylvie Ferlay; Mir Wais Hosseini; Jean-Marc Planeix; Nathalie Kyritsakas","Molecular tectonics: generation of 1- and 2-D copper coordination networks by positional isomeric tectons based on a phenylenediamine backbone bearing two isonicotinoyl moieties","New Journal of Chemistry","2006","30","5","683","","10.1039/b600193a","","","0.71073","Mo-Kα","","0.124","0.076","","0.192","","0.095","","","2.438","","","1.149","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052246","33.799","0.001","12.7452","0.0005","8.5671","0.0005","90","","95.297","0.005","90","","3674.7","0.3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cu2 N4 O12 -","- C27 H25 Cu2 N4 O12 -","- C108 H100 Cu8 N16 O48 -","4","0.5","","Jérôme Pansanel; Abdelaziz Jouaiti; Sylvie Ferlay; Mir Wais Hosseini; Jean-Marc Planeix; Nathalie Kyritsakas","Molecular tectonics: generation of 1- and 2-D copper coordination networks by positional isomeric tectons based on a phenylenediamine backbone bearing two isonicotinoyl moieties","New Journal of Chemistry","2006","30","5","683","","10.1039/b600193a","","","0.71073","Mo-Kα","","0.188","0.105","","0.29","","0.134","","","1.902","","","1.252","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052247","13.6671","0.0013","11.5908","0.0008","14.1521","0.0016","90","","117.785","0.003","90","","1983.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cu N4 O6 -","- C22 H20 Cu N4 O6 -","- C88 H80 Cu4 N16 O24 -","4","1","","Jérôme Pansanel; Abdelaziz Jouaiti; Sylvie Ferlay; Mir Wais Hosseini; Jean-Marc Planeix; Nathalie Kyritsakas","Molecular tectonics: generation of 1- and 2-D copper coordination networks by positional isomeric tectons based on a phenylenediamine backbone bearing two isonicotinoyl moieties","New Journal of Chemistry","2006","30","5","683","","10.1039/b600193a","","","0.71073","MoKα","","0.044","0.0349","","","0.0872","0.0911","","","","","","1.025","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052248","8.761","0.0002","9.762","0.0003","27.257","0.0013","93.675","0.0013","96.278","0.0012","95.237","0.004","2301.03","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H37 Br N2 O -","- C23 H37 Br N2 O -","- C92 H148 Br4 N8 O4 -","4","2","","Dobbs, William; Douce, Laurent; Allouche, Lionel; Louati, Alain; Malbosc, François; Welter, Richard","New ionic liquid crystals based on imidazolium salts","New Journal of Chemistry","2006","30","4","528","","10.1039/b600279j","","","0.71073","MoKα","","0.0798","0.0438","","","0.0953","0.1147","","","","","","1.073","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052249","10.272","0.003","9.579","0.002","34.807","0.007","90","","90.868","0.01","90","","3424.5","1.4","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(nitrato-O)bis(triphenylphosphine oxide-O)beryllium(II)","","- C36 H30 Be N2 O8 P2 -","- C36 H30 Be N2 O8 P2 -","- C144 H120 Be4 N8 O32 P8 -","4","1","","Davis, Martin F.; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Synthesis, spectroscopic studies and structural systematics of phosphine oxide complexes with Group II metal (beryllium?barium) nitrates","New Journal of Chemistry","2006","30","5","782","","10.1039/b600301j","","","0.71073","MoKα","","0.2107","0.0733","","","0.1146","0.1523","","","","","","1.009","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052250","15.343","0.003","13.705","0.002","17.202","0.003","90","","96.971","0.004","90","","3590.4","1.1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(nitrato-O,O')bis(triphenylphosphine oxide-O)magnesium(II)","","- C36 H30 Mg N2 O8 P2 -","- C36 H30 Mg N2 O8 P2 -","- C144 H120 Mg4 N8 O32 P8 -","4","0.5","","Davis, Martin F.; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Synthesis, spectroscopic studies and structural systematics of phosphine oxide complexes with Group II metal (beryllium?barium) nitrates","New Journal of Chemistry","2006","30","5","782","","10.1039/b600301j","","","0.71073","MoKα","","0.0842","0.0488","","","0.1176","0.135","","","","","","1","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052251","21.771","0.004","10.699","0.001","24.074","0.004","90","","104.394","0.005","90","","5431.5","1.4","120","2","120","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Bis(nitrato-O,O')bis(1,2-bis(diphenylphosphinoyl)benzene)Calcium(II)","","- C60 H48 Ca N2 O10 P4 -","- C60 H48 Ca N2 O10 P4 -","- C240 H192 Ca4 N8 O40 P16 -","4","1","","Davis, Martin F.; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Synthesis, spectroscopic studies and structural systematics of phosphine oxide complexes with Group II metal (beryllium?barium) nitrates","New Journal of Chemistry","2006","30","5","782","","10.1039/b600301j","","","0.71073","MoKα","","0.1278","0.055","","","0.1156","0.1401","","","","","","0.966","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052252","20.4255","0.0016","11.3207","0.001","22.212","0.0015","90","","90","","90","","5136.1","0.7","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Bis(nitrato-O,O')bis(bis(diphenylphosphinoyl)methane)calcium(II)","","- C50 H44 Ca N2 O10 P4 -","- C50 H44 Ca N2 O10 P4 -","- C200 H176 Ca4 N8 O40 P16 -","4","1","","Davis, Martin F.; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Synthesis, spectroscopic studies and structural systematics of phosphine oxide complexes with Group II metal (beryllium?barium) nitrates","New Journal of Chemistry","2006","30","5","782","","10.1039/b600301j","","","0.71073","MoKα","","0.1165","0.0843","","","0.2133","0.2361","","","","","","1.041","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052253","16.6833","0.0002","16.9265","0.0002","20.0193","0.0002","90","","106.219","0.001","90","","5428.25","0.11","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C60 H48 La2 N18 -","- C60 H48 La2 N18 -","- C240 H192 La8 N72 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Leary, Stuart G.","A rare earth alloy as a synthetic reagent: contrasting homometallic rare earth and heterobimetallic outcomes","New Journal of Chemistry","2006","30","4","592","","10.1039/b600868b","","","0.71073","MoKα","","0.0433","0.0279","","","0.0597","0.0665","","","","","","1.039","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052254","10.5878","0.0001","15.3676","0.0002","16.5439","0.0002","90","","101.688","0.001","90","","2636.03","0.05","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ladpyabs","tetrakis(2,2'-dipyridylamido)bis(mu-2,2'dipyridylamido)dilanthanum(III)","","- C30 H24 La N9 -","- C30 H24 La N9 -","- C120 H96 La4 N36 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Leary, Stuart G.","A rare earth alloy as a synthetic reagent: contrasting homometallic rare earth and heterobimetallic outcomes","New Journal of Chemistry","2006","30","4","592","","10.1039/b600868b","","","0.71073","MoKα","","0.042","0.0327","","","0.0851","0.0896","","","","","","1.051","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052255","15.499","0.003","19.15","0.004","17.485","0.004","90","","90.67","0.03","90","","5189.3","1.9","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ni2La(8OQ)7","hexakis(mu-(O)-8-quinolinolato)(8-quinolinolato-kappa:N,O(La) dinickel(II)lanthanum(III) (NiLaNi)","","- C63 H36 La N7 Ni2 O7 -","- C63 H36 La N7 Ni2 O7 -","- C252 H144 La4 N28 Ni8 O28 -","4","0.5","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Leary, Stuart G.","A rare earth alloy as a synthetic reagent: contrasting homometallic rare earth and heterobimetallic outcomes","New Journal of Chemistry","2006","30","4","592","","10.1039/b600868b","","","0.71073","MoKα","","0.1692","0.0595","","","0.0949","0.1279","","","","","","1.02","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052256","14.368","0.009","6.132","0.004","3.778","0.002","87.46","0.05","100.5","0.04","92.94","0.04","326.6","0.3","298","1","298","1","","","","","","","","4","P -1","-P 1","2","4-Chlorobenzoic acid","4-Chlorobenzoic acid","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman","Temperature dependence of proton transfer in 4-chlorobenzoic acid","New Journal of Chemistry","2006","30","7","979","","10.1039/b601123c","","neutron","","neutron","","0.088","","","0.063","","","","","","","","3.92","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052257","14.21","0.006","6.072","0.002","3.747","0.001","87.68","0.03","100.32","0.03","93","0.03","317.48","0.19","100","1","100","1","","","","","","","","4","P -1","-P 1","2","4-Chlorobenzoic acid","4-Chlorobenzoic acid","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman","Temperature dependence of proton transfer in 4-chlorobenzoic acid","New Journal of Chemistry","2006","30","7","979","","10.1039/b601123c","","neutron","","neutron","","0.083","","","0.064","","","","","","","","3.12","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052258","14.22","0.006","6.087","0.002","3.766","0.001","87.91","0.04","100.22","0.03","92.97","0.03","320.25","0.19","133","1","133","1","","","","","","","","4","P -1","-P 1","2","4-Chlorobenzoic acid","4-Chlorobenzoic acid","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman","Temperature dependence of proton transfer in 4-chlorobenzoic acid","New Journal of Chemistry","2006","30","7","979","","10.1039/b601123c","","neutron","","neutron","","0.078","","","0.06","","","","","","","","2.58","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052259","14.209","0.007","6.12","0.002","3.794","0.001","88.31","0.04","100.19","0.04","93.03","0.03","324.2","0.2","200","1","200","1","","","","","","","","4","P -1","-P 1","2","4-Chlorobenzoic acid","4-Chlorobenzoic acid","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman","Temperature dependence of proton transfer in 4-chlorobenzoic acid","New Journal of Chemistry","2006","30","7","979","","10.1039/b601123c","","neutron","","neutron","","0.077","","","0.054","","","","","","","","2.42","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052260","14.272","0.008","6.141","0.003","3.813","0.002","88.53","0.04","100.11","0.04","93.18","0.03","328.4","0.3","250","1","250","1","","","","","","","","4","P -1","-P 1","2","4-Chlorobenzoic acid","4-Chlorobenzoic acid","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman","Temperature dependence of proton transfer in 4-chlorobenzoic acid","New Journal of Chemistry","2006","30","7","979","","10.1039/b601123c","","neutron","","neutron","","0.086","","","0.061","","","","","","","","2.84","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052261","11.1301","0.0014","19.875","0.002","16.4137","0.0016","90","","109.858","0.01","90","","3415","0.7","180","","180","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 B Cl2 N6 Nb -","- C33 H30 B Cl2 N6 Nb -","- C132 H120 B4 Cl8 N24 Nb4 -","4","1","","Pascal Oulié; Johannes Teichert; Laure Vendier; Céline Dablemont; Michel Etienne","Aromatic interactions in hydrotris(3-methylindazolyl)borate organoniobium complexes: control of an alkyne ligand orientation in the crystal","New Journal of Chemistry","2006","30","5","679","","10.1039/b601652a","","","0.71073","MoKα","","0.0894","0.0475","","","0.0983","0.1105","","","","","","0.877","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052262","14.075","0.0013","8.841","0.0008","14.3377","0.0013","90","","119.052","0.001","90","","1559.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cl2 N4 Pd -","- C30 H44 Cl2 N4 Pd -","- C60 H88 Cl4 N8 Pd2 -","2","0.5","","Zou, Gang; Huang, Wen; Xiao, Yuanjing; Tang, Jie","Heck reaction catalysed by palladium supported with an electron-rich benzimidazolylidene generated in situ: remarkable ligand electronic effects and controllable mono- and di-arylation","New Journal of Chemistry","2006","30","5","803","","10.1039/b601833e","","","0.71073","MoKα","","0.0886","0.0719","","","0.2101","0.2252","","","","","","0.974","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052263","8.6005","0.0014","13.217","0.002","18.918","0.003","90","","91.575","0.004","90","","2149.6","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 F6 N2 P Pd -","- C22 H23 F6 N2 P Pd -","- C88 H92 F24 N8 P4 Pd4 -","4","1","","Ragaini, Fabio; Gasperini, Michela; Parma, Paolo; Gallo, Emma; Casati, Nicola; Macchi, Piero","Stability-inducing strain: application to the synthesis of alkyl-BIAN ligands (alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine)","New Journal of Chemistry","2006","30","7","1046","","10.1039/b602257j","","","0.71073","MoKα","","0.0695","0.0467","","","0.1179","0.1347","","","","","","1.09","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052264","7.2312","0.0008","16.2043","0.0018","15.9806","0.0018","90","","91.2048","0.0019","90","","1872.1","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 Zn -","- C20 H20 Cl2 N2 Zn -","- C80 H80 Cl8 N8 Zn4 -","4","1","","Ragaini, Fabio; Gasperini, Michela; Parma, Paolo; Gallo, Emma; Casati, Nicola; Macchi, Piero","Stability-inducing strain: application to the synthesis of alkyl-BIAN ligands (alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine)","New Journal of Chemistry","2006","30","7","1046","","10.1039/b602257j","","x-ray","0.71069","MoKα","","0.0816","0.0377","","","0.076","0.0889","","","","","","1.002","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052265","9.3088","0.0006","15.438","0.0009","15.9947","0.0009","90","","99.803","0.002","90","","2265","0.2","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Cl2 N2 Zn -","- C26 H28 Cl2 N2 Zn -","- C104 H112 Cl8 N8 Zn4 -","4","1","","Ragaini, Fabio; Gasperini, Michela; Parma, Paolo; Gallo, Emma; Casati, Nicola; Macchi, Piero","Stability-inducing strain: application to the synthesis of alkyl-BIAN ligands (alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine)","New Journal of Chemistry","2006","30","7","1046","","10.1039/b602257j","","","0.71069","MoKα","","0.1076","0.0486","","","0.11","0.145","","","","","","1.06","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052266","11.3215","0.001","11.7432","0.0011","13.7576","0.0012","103.925","0.002","108.377","0.002","108.885","0.002","1518","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H38 Br2 Cl2 N2 Ni -","- C33 H38 Br2 Cl2 N2 Ni -","- C66 H76 Br4 Cl4 N4 Ni2 -","2","1","","Ragaini, Fabio; Gasperini, Michela; Parma, Paolo; Gallo, Emma; Casati, Nicola; Macchi, Piero","Stability-inducing strain: application to the synthesis of alkyl-BIAN ligands (alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine)","New Journal of Chemistry","2006","30","7","1046","","10.1039/b602257j","","","0.71069","MoKα","","0.0855","0.0469","","","0.108","0.1243","","","","","","1.022","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052267","16.64","0.001","13.269","0.001","18.77","0.001","90","","90","","90","","4144.3","0.5","200","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H20 Cl4 Mn N4 -","- C18 H20 Cl4 Mn N4 -","- C144 H160 Cl32 Mn8 N32 -","8","","","Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli","Conformational effects in molecular tectons containing protonated benzimidazole cations","New Journal of Chemistry","2006","30","6","851","","10.1039/b602468h","","","1.5418","CuKα","","","0.046","","","","0.044","","","","","","1.58","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052268","15.483","0.003","12.705","0.001","23.177","0.002","90","","90.971","0.008","90","","4558.5","1","200","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H55 Cl4 N9 -","- C46 H55 Cl4 N9 -","- C184 H220 Cl16 N36 -","4","1","","Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli","Conformational effects in molecular tectons containing protonated benzimidazole cations","New Journal of Chemistry","2006","30","6","851","","10.1039/b602468h","","","1.54183","CuKα","","","0.066","","","","0.062","","","","","","1.25","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052269","9.5492","0.0008","9.8088","0.0009","14.7179","0.0013","84.185","0.01","86.801","0.01","65.969","0.009","1252.4","0.2","200","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl4 Mn N4 O -","- C22 H28 Cl4 Mn N4 O -","- C44 H56 Cl8 Mn2 N8 O2 -","2","1","","Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli","Conformational effects in molecular tectons containing protonated benzimidazole cations","New Journal of Chemistry","2006","30","6","851","","10.1039/b602468h","","","0.71073","MoKα","","","0.029","","","","0.03","","","","","","1.17","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052270","8.5221","0.0007","11.804","0.001","14.884","0.001","90","","95.929","0.007","90","","1489.2","0.2","200","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H35 Cl3 N6 O2 -","- C29 H35 Cl3 N6 O2 -","- C58 H70 Cl6 N12 O4 -","2","1","","Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli","Conformational effects in molecular tectons containing protonated benzimidazole cations","New Journal of Chemistry","2006","30","6","851","","10.1039/b602468h","","","1.54183","CuKα","","","0.051","","","","0.049","","","","","","2.47","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052271","16.6939","0.0009","16.6939","0.0009","20.5208","0.0011","90","","90","","120","","4952.7","0.5","200","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H41 Br3 N6 O4 -","- C30 H41 Br3 N6 O3.99999 -","- C180 H246 Br18 N36 O23.9999 -","6","0.333333","","Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli","Conformational effects in molecular tectons containing protonated benzimidazole cations","New Journal of Chemistry","2006","30","6","851","","10.1039/b602468h","","","0.71073","MoKα","","","0.028","","","","0.028","","","","","","1.12","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052272","11.4172","0.0013","11.5432","0.0013","16.4193","0.0018","107.72","0.002","90.261","0.002","107.884","0.002","1950.1","0.4","136","2","136","2","","","","","","","","4","P -1","-P 1","2","","","","- C93 H88 Ce2 N16 -","- C93 H88 Ce2 N16 -","- C93 H88 Ce2 N16 -","1","0.5","","Walter, Marc D.; Fandos, Rosa; Andersen, Richard A.","Synthesis and magnetic properties of cerium macrocyclic complexes with tetramethyldibenzotetraaza[14]annulene, tmtaaH2","New Journal of Chemistry","2006","30","7","1065","","10.1039/b602644c","","","0.71073","MoKα","","0.0524","0.0468","","","0.1238","0.1288","","","","","","1.046","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052273","9.227","0.004","10.155","0.004","10.156","0.004","90","","106.496","0.007","90","","912.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H17 N4 O6 Re -","- C14 H17 N4 O6 Re -","- C28 H34 N8 O12 Re2 -","2","0.5","","Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel","Non-covalent interactions between anions and a cationic rhenium diamine complex: structural characterization of the supramolecular adducts","New Journal of Chemistry","2006","30","6","838","","10.1039/b602907h","","","0.71073","MoKα","","0.0457","0.0412","","","0.1078","0.1102","","","","","","1.057","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052274","10.16","0.007","12.354","0.009","15.993","0.012","90","","90","","90","","2007","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Cl N3 O7 Re -","- C14 H17 Cl N3 O7 Re -","- C56 H68 Cl4 N12 O28 Re4 -","4","1","","Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel","Non-covalent interactions between anions and a cationic rhenium diamine complex: structural characterization of the supramolecular adducts","New Journal of Chemistry","2006","30","6","838","","10.1039/b602907h","","","0.71073","MoKα","","0.0499","0.0452","","","0.1085","0.1131","","","","","","1.053","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052275","14.243","0.005","17.34","0.005","10.36","0.005","90.99","0.005","102.51","0.005","98.44","0.005","2467.7","1.6","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H62 O7 W -","- C53 H62 O7 W -","- C106 H124 O14 W2 -","2","1","","Arduini, Arturo; Massera, Chiara; Pochini, Andrea; Secchi, Andrea; Ugozzoli, Franco","Organic guests inclusion by tungsten-calix[4]arene hosts","New Journal of Chemistry","2006","30","6","952","","10.1039/b603006h","","","0.71069","MoKα","","0.125","0.0825","","","0.2014","0.2154","","","","","","0.913","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052276","8.789","0.005","17.6","0.005","16.397","0.005","90","","94.94","0.005","90","","2527","1.8","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 N O6 W -","- C31 H27 N O6 W -","- C124 H108 N4 O24 W4 -","4","1","","Arduini, Arturo; Massera, Chiara; Pochini, Andrea; Secchi, Andrea; Ugozzoli, Franco","Organic guests inclusion by tungsten-calix[4]arene hosts","New Journal of Chemistry","2006","30","6","952","","10.1039/b603006h","","","0.71069","MoKα","","0.1169","0.067","","","0.1629","0.1801","","","","","","0.857","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052277","13.292","0.005","13.292","0.005","13.743","0.005","90","","90","","90","","2428.1","1.6","295","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C13.5 H14 N0.25 O1.25 W0.25 -","- C13.5 H14.75 N0.25 O1.25 W0.25 -","- C108 H118 N2 O10 W2 -","8","1","","Arduini, Arturo; Massera, Chiara; Pochini, Andrea; Secchi, Andrea; Ugozzoli, Franco","Organic guests inclusion by tungsten-calix[4]arene hosts","New Journal of Chemistry","2006","30","6","952","","10.1039/b603006h","","","0.71069","MoKα","","0.0668","0.0402","","","0.0908","0.0995","","","","","","0.78","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052278","11.302","0.005","14.802","0.005","17.226","0.005","90","","91.05","0.005","90","","2881.3","1.8","295","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 O8 W -","- C32 H30 O8 W -","- C128 H120 O32 W4 -","4","1","","Arduini, Arturo; Massera, Chiara; Pochini, Andrea; Secchi, Andrea; Ugozzoli, Franco","Organic guests inclusion by tungsten-calix[4]arene hosts","New Journal of Chemistry","2006","30","6","952","","10.1039/b603006h","","","0.71069","MoKα","","0.0664","0.0303","","","0.0643","0.0689","","","","","","0.843","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052279","31.1616","0.0011","10.9342","0.0004","8.3276","0.0003","90","","104.131","0.002","90","","2751.58","0.17","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 N7 O4 -","- C32 H27 N7 O4 -","- C128 H108 N28 O16 -","4","0.5","","Evans, Louise S.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Pyrrolylamidourea based anion receptors","New Journal of Chemistry","2006","30","7","1019","","10.1039/b603223k","","","0.71073","MoKα","","0.0695","0.0481","","","0.1073","0.1168","","","","","","1.046","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052280","16.0263","0.0005","22.3943","0.0007","19.782","0.0008","90","","112.759","0.001","90","","6546.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H176 Cu8 N4 O6 S12 -","- C138 H160 Cu8 N4 O6 S12 -","- C276 H320 Cu16 N8 O12 S24 -","2","0.5","","Stéphane A. Baudron; Mir Wais Hosseini; Nathalie Kyritsakas","Octanuclear Cu(<small>I</small>) cubic complex decorated with six peripheral chelates","New Journal of Chemistry","2006","30","7","1083","","10.1039/b603733j","","","0.71073","MoKα","","0.137","0.0674","","","0.1757","0.2115","","","","","","1.039","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052281","39.0401","0.0013","17.3267","0.0006","24.2754","0.0008","90","","124.138","0.002","90","","13591.3","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H152 Cu8 N16 O6 S18 -","- C116 H128 Cu8 N16 O6 S18 -","- C464 H512 Cu32 N64 O24 S72 -","4","0.5","","Stéphane A. Baudron; Mir Wais Hosseini; Nathalie Kyritsakas","Octanuclear Cu(<small>I</small>) cubic complex decorated with six peripheral chelates","New Journal of Chemistry","2006","30","7","1083","","10.1039/b603733j","","","0.71073","MoKα","","0.1233","0.0666","","","0.2064","0.2466","","","","","","1.068","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052282","18.6672","0.0007","8.7381","0.0003","18.9133","0.0007","90","","101.396","0.002","90","","3024.24","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H90 Cu N8 S4 -","- C60 H90 Cu N8 S4 -","- C120 H180 Cu2 N16 S8 -","2","0.5","","Stéphane A. Baudron; Mir Wais Hosseini; Nathalie Kyritsakas","Octanuclear Cu(<small>I</small>) cubic complex decorated with six peripheral chelates","New Journal of Chemistry","2006","30","7","1083","","10.1039/b603733j","","","0.71073","MoKα","","0.104","0.0584","","","0.15","0.1727","","","","","","1.044","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052283","17.805","0.004","21.759","0.004","36.438","0.007","90","","96.34","0.03","90","","14030","5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H184 Ag8 N16 O8 S8 -","- C128 H40 Ag8 N16 O8 S8 -","- C512 H160 Ag32 N64 O32 S32 -","4","1","","Habtu, Michael M.; Bourne, Susan A.; Koch, Klaus R.; Luckay, Robert C.","Competitive bulk liquid membrane transport and solvent extraction of some transition and post-transition metal ions using acylthiourea ligands as ionophores","New Journal of Chemistry","2006","30","8","1155","","10.1039/b603802f","","","0.71073","MoKα","","0.0918","0.0537","","","0.1438","0.1689","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052284","10.3953","0.0019","6.5823","0.0012","43.283","0.008","90","","93.228","0.005","90","","2956.9","0.9","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N6 Na2 O6 S6 -","- C22 H20 N6 Na2 O6 S6 -","- C88 H80 N24 Na8 O24 S24 -","4","1","","Zhu, Qin-Yu; Lin, Hai-Hong; Dai, Jie; Bian, Guo-Qing; Zhang, Yong; Lu, Wen","A supramolecular system of tetrathiafulvalene, assembled by hydrogen bonding, ionic coordination bonding and topological cooperation","New Journal of Chemistry","2006","30","8","1140","","10.1039/b604258a","","","0.71073","MoKα","","0.0531","0.0451","","","0.0891","0.0921","","","","","","1.182","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052285","32.197","0.005","32.197","0.005","71.112","0.014","90","","90","","120","","63842","19","153","2","153","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C92 H90 Co N6 Na O45 S8 Yb0.33 -","- C92 H56 Co N6 Na O44.94 S8 Yb0.333333 -","- C1656 H1008 Co18 N108 Na18 O808.92 S144 Yb6 -","18","0.5","","Smith, Christopher B.; Barbour, Leonard J.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Unlocking the elusive binding cavity in p-sulfonatocalix[8]arene","New Journal of Chemistry","2006","30","7","991","","10.1039/b604513h","","","0.71073","MoKα","","0.3762","0.1801","","","0.4213","0.5215","","","","","","1.178","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052286","18.026","0.006","29.133","0.005","30.927","0.008","63.44","0.02","78.13","0.03","72.37","0.03","13798","7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C252 H108 Cu9 F108 N18 O36 -","- C252 H108 Cu9 F108 N18 O36 -","- C504 H216 Cu18 F216 N36 O72 -","2","1","","Silke Winter; Edwin Weber; Lars Eriksson; Ingeborg Csöregh","New coordination polymer networks based on copper(<small>II</small>) hexafluoroacetylacetonate and pyridine containing building blocks: synthesis and structural study","New Journal of Chemistry","2006","30","12","1808","","10.1039/b604591j","","","0.71073","MoKα","","0.23","0.0722","","","0.16","0.2214","","","","","","0.842","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052287","7.2518","0.0008","7.4685","0.0009","20.571","0.002","94.368","0.002","94.193","0.002","92.638","0.002","1106.4","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H18 B2 N2 Ni O10 S4 -","- C14 H18 B2 N2 Ni O10 S4 -","- C28 H36 B4 N4 Ni2 O20 S8 -","2","1","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.0357","0.0266","","","0.0702","0.0747","","","","","","1.041","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052288","7.482","0.0015","7.4948","0.0015","20.573","0.004","94.45","0.03","95.44","0.03","92.08","0.03","1143.9","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H18 B2 N2 O10 Pd S4 -","- C14 H18 B2 N2 O10 Pd S4 -","- C28 H36 B4 N4 O20 Pd2 S8 -","2","1","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.0538","0.0413","","","0.0885","0.0986","","","","","","1.002","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052289","7.4202","0.0008","7.4598","0.0008","20.396","0.002","94.419","0.002","96.48","0.002","92.585","0.002","1116.8","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H18 B2 N2 O10 Pt S4 -","- C14 H18 B2 N2 O10 Pt S4 -","- C28 H36 B4 N4 O20 Pt2 S8 -","2","1","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.0507","0.0363","","","0.0793","0.0853","","","","","","1.035","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052290","3.6754","0.0006","10.5135","0.0017","12.215","0.002","102.091","0.002","96.403","0.003","98.557","0.002","451.4","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 B2 N2 O12 Pt -","- C14 H14 B2 N2 O12 Pt -","- C14 H14 B2 N2 O12 Pt -","1","0.5","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.0218","0.0218","","","0.0467","0.0468","","","","","","1.043","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052291","3.8956","0.0008","10.119","0.002","13.447","0.003","100.74","0.03","94.97","0.03","97.65","0.03","512.8","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 B2 Cu N2 O8 S4 -","- C14 H14 B2 Cu N2 O8 S4 -","- C14 H14 B2 Cu N2 O8 S4 -","1","0.5","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.1017","0.059","","","0.1328","0.1662","","","","","","0.966","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052292","3.905","0.0008","10.22","0.002","13.302","0.003","101.79","0.03","95.13","0.03","98.09","0.03","510.7","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 B2 N2 Ni O8 S4 -","- C14 H14 B2 N2 Ni O8 S4 -","- C14 H14 B2 N2 Ni O8 S4 -","1","0.5","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.0416","0.0328","","","0.078","0.1013","","","","","","1.051","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052293","3.9415","0.0008","10.164","0.002","13.431","0.003","100.46","0.03","94.77","0.03","98.41","0.03","520.1","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 B2 N2 O8 Pd S4 -","- C14 H14 B2 N2 O8 Pd S4 -","- C14 H14 B2 N2 O8 Pd S4 -","1","0.5","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.0333","0.0278","","","0.0699","0.092","","","","","","1.148","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052294","3.659","0.0007","10.172","0.002","12.576","0.003","103.24","0.03","96.89","0.03","98.1","0.03","445.42","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 B2 N2 O12 Pt -","- C14 H14 B2 N2 O12 Pt -","- C14 H14 B2 N2 O12 Pt -","1","0.5","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.0151","0.0151","","","0.0375","0.0375","","","","","","1.083","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052295","5.4044","0.0006","10.4485","0.0011","17.4481","0.0019","90","","91.73","0.009","90","","984.81","0.19","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Fe N10 O4 -","- C16 H8 Fe N10 O4 -","- C32 H16 Fe2 N20 O8 -","2","0.5","","Emeric Lefebvre; Françoise Conan; Nathalie Cosquer; Jean-Michel Kerbaol; Mathieu Marchivie; Jean Sala-Pala; Marek M. Kubicki; Estelle Vigier; Carlos J. Gomez Garcia","Syntheses, structural characterisation and magnetic properties of Fe(<small>II</small>) and Mn(<small>II</small>) compounds with the pentacyanopropenido ligand; structural characterisation of a substituted pyrazolo[1,5-<i>a</i>]pyrimidine","New Journal of Chemistry","2006","30","8","1197","","10.1039/b605030a","","","0.71073","MoKα","","0.0492","0.0363","","","0.0941","0.099","","","","","","1.052","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052296","5.4059","0.0002","10.5483","0.0003","17.5513","0.0007","90","","91.522","0.002","90","","1000.48","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Mn N10 O4 -","- C16 H8 Mn N10 O4 -","- C32 H16 Mn2 N20 O8 -","2","0.5","","Emeric Lefebvre; Françoise Conan; Nathalie Cosquer; Jean-Michel Kerbaol; Mathieu Marchivie; Jean Sala-Pala; Marek M. Kubicki; Estelle Vigier; Carlos J. Gomez Garcia","Syntheses, structural characterisation and magnetic properties of Fe(<small>II</small>) and Mn(<small>II</small>) compounds with the pentacyanopropenido ligand; structural characterisation of a substituted pyrazolo[1,5-<i>a</i>]pyrimidine","New Journal of Chemistry","2006","30","8","1197","","10.1039/b605030a","","","0.71073","MoKα","","0.0643","0.0392","","","0.0842","0.0959","","","","","","1.034","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052297","11.14","0.003","11.497","0.003","16.854","0.004","90","0.018","90","0.019","90","0.019","2158.6","1","170","2","170","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C17.5 H0 Fe N10 O0.5 -","- C17.5 Fe N10 O0.5 -","- C70 Fe4 N40 O2 -","4","0.5","","Emeric Lefebvre; Françoise Conan; Nathalie Cosquer; Jean-Michel Kerbaol; Mathieu Marchivie; Jean Sala-Pala; Marek M. Kubicki; Estelle Vigier; Carlos J. Gomez Garcia","Syntheses, structural characterisation and magnetic properties of Fe(<small>II</small>) and Mn(<small>II</small>) compounds with the pentacyanopropenido ligand; structural characterisation of a substituted pyrazolo[1,5-<i>a</i>]pyrimidine","New Journal of Chemistry","2006","30","8","1197","","10.1039/b605030a","","x-ray","0.71073","MoKα","","0.147","0.1222","","","0.2384","0.2524","","","","","","1.362","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052298","8.8515","0.0019","6.5515","0.0018","19.107","0.005","90","","96.48","0.02","90","","1100.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H2 N8 -","- C10 H2 N8 -","- C40 H8 N32 -","4","1","","Emeric Lefebvre; Françoise Conan; Nathalie Cosquer; Jean-Michel Kerbaol; Mathieu Marchivie; Jean Sala-Pala; Marek M. Kubicki; Estelle Vigier; Carlos J. Gomez Garcia","Syntheses, structural characterisation and magnetic properties of Fe(<small>II</small>) and Mn(<small>II</small>) compounds with the pentacyanopropenido ligand; structural characterisation of a substituted pyrazolo[1,5-<i>a</i>]pyrimidine","New Journal of Chemistry","2006","30","8","1197","","10.1039/b605030a","","","0.71073","MoKα","","0.0677","0.0492","","","0.1122","0.1229","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052299","6.3523","0.0013","13.906","0.003","16.582","0.003","90","","90","","90","","1464.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 N8 O -","- C13 H8 N8 O -","- C52 H32 N32 O4 -","4","1","","Emeric Lefebvre; Françoise Conan; Nathalie Cosquer; Jean-Michel Kerbaol; Mathieu Marchivie; Jean Sala-Pala; Marek M. Kubicki; Estelle Vigier; Carlos J. Gomez Garcia","Syntheses, structural characterisation and magnetic properties of Fe(<small>II</small>) and Mn(<small>II</small>) compounds with the pentacyanopropenido ligand; structural characterisation of a substituted pyrazolo[1,5-<i>a</i>]pyrimidine","New Journal of Chemistry","2006","30","8","1197","","10.1039/b605030a","","","0.71073","MoKα","","0.0809","0.04","","","0.0549","0.0611","","","","","","0.929","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052300","15.323","0.003","9.3464","0.0015","17.451","0.003","90","","104.854","0.003","90","","2415.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N4 O4 -","- C30 H22 N4 O4 -","- C120 H88 N16 O16 -","4","1","","Zhao, Yong-gang; Zhang, Bing-guang; Duan, Chun-ying; Lin, Zhi-hua; Meng, Qing-jin","A highly selective fluorescent sensor for fluoride through ESPT signaling transduction","New Journal of Chemistry","2006","30","8","1207","","10.1039/b605087e","","","0.71073","MoKα","","0.1129","0.0505","","","0.0659","0.076","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052301","18.72","0.004","15.11","0.003","8.5745","0.0018","90","","94.249","0.004","90","","2418.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 N5 O4 -","- C29 H21 N5 O4 -","- C116 H84 N20 O16 -","4","0.5","","Zhao, Yong-gang; Zhang, Bing-guang; Duan, Chun-ying; Lin, Zhi-hua; Meng, Qing-jin","A highly selective fluorescent sensor for fluoride through ESPT signaling transduction","New Journal of Chemistry","2006","30","8","1207","","10.1039/b605087e","","","0.71073","MoKα","","0.0724","0.0617","","","0.1593","0.1688","","","","","","1.103","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052302","21.554","0.001","11.479","0.0005","8.9428","0.0004","90","","101.235","0.002","90","","2170.21","0.17","373","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","?","- C16 Br2 Fe N6 O3 S2 -","- C64 Br8 Fe4 N24 O12 S8 -","4","1","","Sébastien Floquet; Nathalie Guillou; Philippe Négrier; Eric Rivière; Marie-Laure Boillot","The crystallographic phase transition for a ferric thiosemicarbazone spin crossover complex studied by X-ray powder diffraction","New Journal of Chemistry","2006","30","11","1621","","10.1039/b605326b","powder diffraction","","","X-ray","","","","","","","","","8.2288","","","","","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052303","20.715","0.002","11.397","0.001","8.8804","0.0007","90","","90.258","0.002","90","","2096.5","0.3","150","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","?","- C16 Br2 Fe N6 O3 S2 -","- C64 Br8 Fe4 N24 O12 S8 -","4","1","","Sébastien Floquet; Nathalie Guillou; Philippe Négrier; Eric Rivière; Marie-Laure Boillot","The crystallographic phase transition for a ferric thiosemicarbazone spin crossover complex studied by X-ray powder diffraction","New Journal of Chemistry","2006","30","11","1621","","10.1039/b605326b","powder diffraction","","","X-ray","","","","","","","","","9.4009","","","","","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052304","18.0981","0.0011","9.9666","0.0006","16.1701","0.0009","90","","112.87","0.001","90","","2687.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 N4 O2 P2 -","- C20 H42 N4 O2 P2 -","- C80 H168 N16 O8 P8 -","4","1","","Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.","Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes","New Journal of Chemistry","2006","30","11","1614","","10.1039/b605430g","","","0.71073","MoKα","","0.0842","0.0629","","","0.1824","0.2011","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052305","9.516","0.0006","16.5945","0.0011","15.9106","0.001","90","","91.692","0.001","90","","2511.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H41 N5 P2 -","- C19 H41 N5 P2 -","- C76 H164 N20 P8 -","4","1","","Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.","Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes","New Journal of Chemistry","2006","30","11","1614","","10.1039/b605430g","","","0.71073","MoKα","","0.0636","0.0536","","","0.1549","0.1647","","","","","","1.038","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052306","17.7038","0.0018","9.5956","0.001","17.7697","0.0018","90","","106.53","0.002","90","","2893.9","0.5","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H44 N4 O4 P2 -","- C22 H44 N4 O4 P2 -","- C88 H176 N16 O16 P8 -","4","1","","Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.","Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes","New Journal of Chemistry","2006","30","11","1614","","10.1039/b605430g","","","0.71073","MoKα","","0.0697","0.0647","","","0.1817","0.188","","","","","","1.053","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052307","9.7355","0.0006","11.2481","0.0006","17.0595","0.001","92.455","0.001","105.381","0.001","93.314","0.001","1794.91","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H53 N5 O2 P2 -","- C31 H53 N5 O2 P2 -","- C62 H106 N10 O4 P4 -","2","1","","Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.","Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes","New Journal of Chemistry","2006","30","11","1614","","10.1039/b605430g","","","0.71073","MoKα","","0.0746","0.0602","","","0.1772","0.1905","","","","","","1.065","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052308","9.5994","0.0004","15.8414","0.0007","21.0477","0.0009","90","","91.5","0.001","90","","3199.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 N6 O5 P2 -","- C26 H48 N6 O5 P2 -","- C104 H192 N24 O20 P8 -","4","1","","Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.","Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes","New Journal of Chemistry","2006","30","11","1614","","10.1039/b605430g","","","0.71073","MoKα","","0.0683","0.0585","","","0.1397","0.1458","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052309","19.157","0.004","25.897","0.006","9.9046","0.0015","90","","90","","90","","4913.8","1.7","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C27 H30 N O2 P -","- C27 H30 N O2 P -","- C216 H240 N8 O16 P8 -","8","1","","Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.","Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes","New Journal of Chemistry","2006","30","11","1614","","10.1039/b605430g","","","0.71073","MoKα","","0.0712","0.0498","","","0.1232","0.1325","","","","","","0.926","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052310","8.8437","0.0012","8.7562","0.0011","13.5885","0.0018","90","","102.355","0.003","90","","1027.9","0.2","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl2 Cu N6 O8 -","- C12 H30 Cl2 Cu N6 O8 -","- C24 H60 Cl4 Cu2 N12 O16 -","2","0.5","","Zhang, Bing; Ni, Zhong-Hai; Cui, Ai-Li; Kou, Hui-Zhong","Heterometallic trinuclear CuIIMIII2 (M = Fe or Cr) complexes with novel bridges and unusual magnetic properties","New Journal of Chemistry","2006","30","9","1327","","10.1039/b605521d","","","0.71073","MoKα","","0.0931","0.0698","","","0.1809","0.1921","","","","","","1.099","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052311","15.74","0.003","13.5539","0.0016","13.4949","0.0014","90","","90.108","0.01","90","","2879","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Cu Fe2 N18 O8 -","- C52 H62 Cu Fe2 N18 O8 -","- C104 H124 Cu2 Fe4 N36 O16 -","2","0.5","","Zhang, Bing; Ni, Zhong-Hai; Cui, Ai-Li; Kou, Hui-Zhong","Heterometallic trinuclear CuIIMIII2 (M = Fe or Cr) complexes with novel bridges and unusual magnetic properties","New Journal of Chemistry","2006","30","9","1327","","10.1039/b605521d","","","0.71073","MoKα","","0.17","0.0621","","","0.1136","0.161","","","","","","0.977","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052312","15.969","0.004","13.5984","0.0015","13.4235","0.0011","90","","90.115","0.012","90","","2914.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Cr2 Cu N18 O8 -","- C52 H62 Cr2 Cu N18 O8 -","- C104 H124 Cr4 Cu2 N36 O16 -","2","0.5","","Zhang, Bing; Ni, Zhong-Hai; Cui, Ai-Li; Kou, Hui-Zhong","Heterometallic trinuclear CuIIMIII2 (M = Fe or Cr) complexes with novel bridges and unusual magnetic properties","New Journal of Chemistry","2006","30","9","1327","","10.1039/b605521d","","","0.71073","MoKα","","0.1571","0.069","","","0.1564","0.2004","","","","","","0.964","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052313","10.761","0.002","15.6358","0.0019","14.1161","0.0018","90","","94.63","0.012","90","","2367.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 Cu Fe2 N16 O6 -","- C46 H44 Cu Fe2 N16 O6 -","- C92 H88 Cu2 Fe4 N32 O12 -","2","0.5","","Zhang, Bing; Ni, Zhong-Hai; Cui, Ai-Li; Kou, Hui-Zhong","Heterometallic trinuclear CuIIMIII2 (M = Fe or Cr) complexes with novel bridges and unusual magnetic properties","New Journal of Chemistry","2006","30","9","1327","","10.1039/b605521d","","","0.71073","MoKα","","0.0555","0.0374","","","0.0958","0.1178","","","","","","1.105","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052314","6.1825","0.0008","18.9953","0.0015","16.605","0.002","90","","90.93","0.004","90","","1949.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1alpha,2alpha,3beta,4beta-1,3-bis(2,3,5,6-tetrafluoro-4-iodo- phenyl)-2,4-bis(4-phenyl-dimethylamine)cyclobutane","","","- C34 H26 Cl6 F8 I2 N2 -","- C34 H26 Cl6 F8 I2 N2 -","- C68 H52 Cl12 F16 I4 N4 -","2","0.5","","Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe; Vij, Ashwani","Solid state synthesis under supramolecular control of a 2D heterotetratopic self-complementary tecton tailored to halogen bonding","New Journal of Chemistry","2006","30","10","1397","","10.1039/b605958a","","","0.71073","MoKα","","0.0327","0.0281","","","0.077","0.0801","","","","","","1.045","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052315","10.174","0.002","11.671","0.002","13.043","0.004","90","","103.26","0.03","90","","1507.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dimethyl-(4-(2-(2,3,5,6-tetrafluoro-4-iodo-phenyl)-vinyl)- phenyl)-amine","","","- C16 H12 F4 I N -","- C16 H12 F4 I N -","- C64 H48 F16 I4 N4 -","4","1","","Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe; Vij, Ashwani","Solid state synthesis under supramolecular control of a 2D heterotetratopic self-complementary tecton tailored to halogen bonding","New Journal of Chemistry","2006","30","10","1397","","10.1039/b605958a","","","0.71073","MoKα","","0.0423","0.0361","","","0.0996","0.1048","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052316","11.8168","0.0005","12.6942","0.0007","12.9752","0.0007","86.737","0.002","65.501","0.003","79.661","0.004","1742.02","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H88 Cl4 N4 O8 U2 -","- C72 H88 Cl4 N4 O8 U2 -","- C72 H88 Cl4 N4 O8 U2 -","1","0.5","","Lionel Salmon; Pierre Thuéry; Eric Rivière; Shinpei Miyamoto; Takehiko Yamato; Michel Ephritikhine","Synthesis, structure and magnetic behaviour of dinuclear uranium(<small>IV</small>) complexes with a ‘calixsalophen’ type macrocycle","New Journal of Chemistry","2006","30","8","1220","","10.1039/b606035h","","","0.71073","MoKα","","0.0443","0.033","","","0.0685","0.0717","","","","","","1.04","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052317","14.2822","0.0009","12.0928","0.0003","21.8206","0.0012","90","","91.604","0.003","90","","3767.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H81 Cl4 N9 O4 U2 -","- C82 H76 Cl4 N8 O4 U2 -","- C164 H152 Cl8 N16 O8 U4 -","2","0.5","","Lionel Salmon; Pierre Thuéry; Eric Rivière; Shinpei Miyamoto; Takehiko Yamato; Michel Ephritikhine","Synthesis, structure and magnetic behaviour of dinuclear uranium(<small>IV</small>) complexes with a ‘calixsalophen’ type macrocycle","New Journal of Chemistry","2006","30","8","1220","","10.1039/b606035h","","","0.71073","MoKα","","0.055","0.0409","","","0.1104","0.116","","","","","","1.102","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052318","16.2734","0.0004","29.7951","0.001","20.3134","0.0005","90","","111.161","0.002","90","","9185.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H124 N4 O17 U2 -","- C96 H124 N4 O17 U2 -","- C384 H496 N16 O68 U8 -","4","1","","Lionel Salmon; Pierre Thuéry; Eric Rivière; Shinpei Miyamoto; Takehiko Yamato; Michel Ephritikhine","Synthesis, structure and magnetic behaviour of dinuclear uranium(<small>IV</small>) complexes with a ‘calixsalophen’ type macrocycle","New Journal of Chemistry","2006","30","8","1220","","10.1039/b606035h","","","0.71073","MoKα","","0.0796","0.0486","","","0.0971","0.1086","","","","","","1.009","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052319","15.5199","0.0004","16.7753","0.0006","18.1932","0.0008","77.591","0.002","81.494","0.003","68.004","0.002","4277.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H102 N6 O14 U2 -","- C91 H102 N6 O14 U2 -","- C182 H204 N12 O28 U4 -","2","1","","Lionel Salmon; Pierre Thuéry; Eric Rivière; Shinpei Miyamoto; Takehiko Yamato; Michel Ephritikhine","Synthesis, structure and magnetic behaviour of dinuclear uranium(<small>IV</small>) complexes with a ‘calixsalophen’ type macrocycle","New Journal of Chemistry","2006","30","8","1220","","10.1039/b606035h","","","0.71073","MoKα","","0.0456","0.0309","","","0.0687","0.0739","","","","","","1.014","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052320","9.6797","0.0003","12.6462","0.0004","17.6494","0.0006","87.281","0.002","75.648","0.002","87.824","0.002","2089.94","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H62 I4 N12 O3 Zn4 -","- C86 H52 I4 N12 O3 Zn4 -","- C86 H52 I4 N12 O3 Zn4 -","1","0.5","","Emmanuel Deiters; Véronique Bulach; Mir Wais Hosseini","Porphyrin based metallamacrocycles","New Journal of Chemistry","2006","30","9","1289","","10.1039/b606041m","","","0.71073","MoKα","","0.0942","0.0566","","","0.1754","0.1961","","","","","","1.1","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052321","9.8032","0.0003","12.5002","0.0004","17.7426","0.0005","86.91","0.002","75.738","0.001","86.087","0.002","2100.74","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H58 Cd2 Cl6 I4 N12 -","- C86 H58 Cd2 Cl6 I4 N12 -","- C86 H58 Cd2 Cl6 I4 N12 -","1","0.5","","Emmanuel Deiters; Véronique Bulach; Mir Wais Hosseini","Porphyrin based metallamacrocycles","New Journal of Chemistry","2006","30","9","1289","","10.1039/b606041m","","","0.71073","MoKα","","0.061","0.0452","","","0.1442","0.155","","","","","","1.045","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052322","9.8204","0.0003","12.4299","0.0003","17.7025","0.0005","86.592","0.001","75.992","0.001","85.872","0.001","2089.21","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H58 Cl6 Hg2 I4 N12 -","- C86 H58 Cl6 Hg2 I4 N12 -","- C86 H58 Cl6 Hg2 I4 N12 -","1","0.5","","Emmanuel Deiters; Véronique Bulach; Mir Wais Hosseini","Porphyrin based metallamacrocycles","New Journal of Chemistry","2006","30","9","1289","","10.1039/b606041m","","","0.71073","MoKα","","0.0685","0.0461","","","0.114","0.1209","","","","","","1.08","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052323","9.7586","0.0005","12.4722","0.0005","17.6672","0.0007","87.06","0.002","75.477","0.002","85.986","0.002","2075.21","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H54 Cd2 Cl6 Cu2 I4 N12 -","- C86 H54 Cd2 Cl6 Cu2 I4 N12 -","- C86 H54 Cd2 Cl6 Cu2 I4 N12 -","1","0.5","","Emmanuel Deiters; Véronique Bulach; Mir Wais Hosseini","Porphyrin based metallamacrocycles","New Journal of Chemistry","2006","30","9","1289","","10.1039/b606041m","","","0.71073","MoKα","","0.1048","0.0508","","","0.1026","0.1253","","","","","","1.011","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052324","9.5541","0.0004","12.5202","0.0005","17.6342","0.0006","86.332","0.002","76.009","0.002","87.361","0.002","2041.6","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H54 Br4 Cl6 Cu2 Hg2 N12 -","- C86 H54 Br4 Cl6 Cu2 Hg2 N12 -","- C86 H54 Br4 Cl6 Cu2 Hg2 N12 -","1","0.5","","Emmanuel Deiters; Véronique Bulach; Mir Wais Hosseini","Porphyrin based metallamacrocycles","New Journal of Chemistry","2006","30","9","1289","","10.1039/b606041m","","","0.71073","MoKα","","0.0801","0.0509","","","0.1125","0.1234","","","","","","1.058","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052325","8.7969","0.0006","17.9832","0.0013","17.5198","0.0012","90","","90.364","0.001","90","","2771.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl2 Cu N8 O12 -","- C22 H24 Cl2 Cu N8 O12 -","- C88 H96 Cl8 Cu4 N32 O48 -","4","1","","Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi","Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)","New Journal of Chemistry","2006","30","9","1267","","10.1039/b606150h","","","0.71073","MoKα","","0.0575","0.0406","","","0.097","0.1042","","","","","","1.026","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052326","9.0522","0.0006","18.0988","0.0012","19.5538","0.0013","90","","95.286","0.001","90","","3190","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cu F6 N8 O10 S2 -","- C24 H24 Cu F6 N8 O10 S2 -","- C96 H96 Cu4 F24 N32 O40 S8 -","4","1","","Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi","Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)","New Journal of Chemistry","2006","30","9","1267","","10.1039/b606150h","","","0.71073","MoKα","","0.0632","0.0427","","","0.097","0.1053","","","","","","1.021","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052327","21.398","0.002","17.9035","0.0017","17.4386","0.0017","90","","105.302","0.002","90","","6443.9","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 Cu F6 N8 O5 Si -","- C23 H24 Cu F6 N8 O5 Si -","- C184 H192 Cu8 F48 N64 O40 Si8 -","8","1","","Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi","Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)","New Journal of Chemistry","2006","30","9","1267","","10.1039/b606150h","","","0.71073","MoKα","","0.1446","0.0726","","","0.1677","0.1931","","","","","","0.921","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052328","21.2107","0.0014","17.9344","0.0012","17.5455","0.0012","90","","104.877","0.001","90","","6450.6","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cu F6 N8 O4.5 Si -","- C22 H24 Cu F6 N8 O4.5 Si -","- C176 H192 Cu8 F48 N64 O36 Si8 -","8","1","","Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi","Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)","New Journal of Chemistry","2006","30","9","1267","","10.1039/b606150h","","","0.71073","MoKα","","0.0442","0.0403","","","0.1124","0.1162","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052329","7.704","0.004","21.708","0.011","12.165","0.005","90","","122.77","0.02","90","","1710.7","1.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cu N4 O8 S -","- C12 H18 Cu N4 O8 S -","- C48 H72 Cu4 N16 O32 S4 -","4","1","","Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi","Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)","New Journal of Chemistry","2006","30","9","1267","","10.1039/b606150h","","","0.71073","MoKα","","0.0942","0.0472","","","0.106","0.123","","","","","","0.902","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052330","8.3292","0.0007","9.7989","0.0008","13.155","0.001","80.124","0.001","74.892","0.001","88.202","0.001","1021.1","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H16 Cu N6 O10 -","- C11 H16 Cu N6 O10 -","- C22 H32 Cu2 N12 O20 -","2","1","","Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi","Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)","New Journal of Chemistry","2006","30","9","1267","","10.1039/b606150h","","","0.71073","MoKα","","0.0495","0.0428","","","0.1307","0.1394","","","","","","1.108","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052331","17.8434","0.0006","17.8434","0.0006","8.654","0.0006","90","","90","","120","","2386.2","0.2","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C90 H132 Co2 N24 -","- C90 H132 Co2 N24 -","- C90 H132 Co2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.105","0.0566","","","0.1313","0.1479","","","","","","1.019","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052332","18.1638","0.0014","18.1638","0.0014","8.5506","0.0012","90","","90","","120","","2443.1","0.4","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C90 H132 Cr2 N24 -","- C90 H132 Cr2 N24 -","- C90 H132 Cr2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.1019","0.0512","","","0.1299","0.1619","","","","","","1.072","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052333","17.9242","0.0004","17.9242","0.0004","8.614","0.0004","90","","90","","120","","2396.71","0.13","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C90 H132 Fe2 N24 -","- C90 H132 Fe2 N24 -","- C90 H132 Fe2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.0747","0.0435","","","0.1083","0.1304","","","","","","1.056","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052334","17.9242","0.0004","17.9242","0.0004","8.614","0.0004","90","","90","","120","","2396.71","0.13","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C90 H132 Fe2 N24 -","- C90 H132 Fe2 N24 -","- C90 H132 Fe2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.0747","0.0435","","","0.1083","0.1304","","","","","","1.056","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052335","9.1738","0.0006","9.4718","0.0006","17.6898","0.0013","100.914","0.003","92.932","0.004","103.963","0.004","1457.13","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H48 Cl2 N4 O2 -","- C26 H48 Cl2 N4 O2 -","- C52 H96 Cl4 N8 O4 -","2","1","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.1199","0.0545","","","0.1036","0.1238","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052336","8.202","0.0002","9.5615","0.0002","10.9335","0.0003","68.098","0.002","84.437","0.001","84.412","0.001","790.07","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N8 Ni -","- C30 H44 N8 Ni -","- C30 H44 N8 Ni -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.0432","0.0346","","","0.0868","0.0901","","","","","","1.048","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052337","8.27","0.0017","9.5086","0.0019","10.937","0.002","70.1","0.03","85.07","0.03","85.64","0.03","804.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N8 Pd -","- C30 H44 N8 Pd -","- C30 H44 N8 Pd -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.0323","0.0299","","","0.0768","0.0848","","","","","","1.086","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052338","8.2909","0.0002","9.4857","0.0002","10.9177","0.0002","70.191","0.001","84.936","0.001","85.713","0.001","803.74","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N8 Pt -","- C30 H44 N8 Pt -","- C30 H44 N8 Pt -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.0175","0.0175","","","0.0427","0.0427","","","","","","1.088","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052339","10.9846","0.0003","11.4743","0.0004","17.4918","0.0008","81.101","0.001","89.017","0.001","65.707","0.002","1982.62","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N4 O2 Si -","- C44 H48 N4 O2 Si -","- C88 H96 N8 O4 Si2 -","2","1","","Nans Roques; Philippe Gerbier; Yoshio Teki; Sylvie Choua; Petra Lesniakovà; Jean-Pascal Sutter; Philippe Guionneau; Christian Guérin","Towards a better understanding of photo-excited spin alignment processes using silole diradicals","New Journal of Chemistry","2006","30","9","1319","","10.1039/b606593g","","","0.71073","MoKα","","0.149","0.0691","","","0.1477","0.1823","","","","","","0.986","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052340","22.247","0.004","10.04","0.002","20.632","0.004","90","","95.89","0.03","90","","4584","1.5","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H47 Cl5 N O3 P3 Ru -","- C45 H47 Cl5 N O3 P3 Ru -","- C180 H188 Cl20 N4 O12 P12 Ru4 -","4","1","","Alba E. Díaz-Álvarez; Pascale Crochet; Maria Zablocka; Victorio Cadierno; Carine Duhayon; José Gimeno; Jean-Pierre Majoral","Imination reactions of free and coordinated 2-diphenylphosphino-1-phenyl-phospholane: Access to regioisomeric ruthenium(<small>II</small>) complexes containing novel iminophosphorane‒phosphine ligands","New Journal of Chemistry","2006","30","9","1295","","10.1039/b606781f","","","0.71073","MoKα","","0.0884","0.0417","","0.0519","0.0493","0.0493","","","","","","1.1191","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052341","9.2949","0.0018","12.576","0.003","18.412","0.003","101.298","0.017","90.983","0.015","95.652","0.017","2098.8","0.7","180","","180","","","","","","","","","8","P -1","-P 1","2","","","","- C78 H72 Cl2 F20 N4 P4 Ru2 Sb2 -","- C78 H72 Cl2 F20 N4 P4 Ru2 Sb2 -","- C78 H72 Cl2 F20 N4 P4 Ru2 Sb2 -","1","0.5","","Alba E. Díaz-Álvarez; Pascale Crochet; Maria Zablocka; Victorio Cadierno; Carine Duhayon; José Gimeno; Jean-Pierre Majoral","Imination reactions of free and coordinated 2-diphenylphosphino-1-phenyl-phospholane: Access to regioisomeric ruthenium(<small>II</small>) complexes containing novel iminophosphorane‒phosphine ligands","New Journal of Chemistry","2006","30","9","1295","","10.1039/b606781f","","","0.71073","MoKα","","0.3028","0.0831","","0.1228","0.0848","0.0848","","","","","","1.121","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052342","15.457","0.001","14.693","0.0008","20.184","0.0011","90","","99.75","0.005","90","","4517.8","0.5","180","","180","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C86 H92 Cl2 F20 N4 O2 P4 Ru2 Sb2 -","- C86 H92 Cl2 F20 N4 O2 P4 Ru2 Sb2 -","- C172 H184 Cl4 F40 N8 O4 P8 Ru4 Sb4 -","2","0.5","","Alba E. Díaz-Álvarez; Pascale Crochet; Maria Zablocka; Victorio Cadierno; Carine Duhayon; José Gimeno; Jean-Pierre Majoral","Imination reactions of free and coordinated 2-diphenylphosphino-1-phenyl-phospholane: Access to regioisomeric ruthenium(<small>II</small>) complexes containing novel iminophosphorane‒phosphine ligands","New Journal of Chemistry","2006","30","9","1295","","10.1039/b606781f","","","0.71073","MoKα","","0.1657","0.0637","","0.0828","0.0675","0.0675","","","","","","1.1485","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052343","13.8941","0.0017","19.078","0.004","10.2235","0.0014","90","","128.293","0.005","90","","2126.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 I N4 O4 Re -","- C12 H32 I N4 O4 Re -","- C48 H128 I4 N16 O16 Re4 -","4","0.5","","Jorge S. Gancheff; Carlos Kremer; Oscar N. Ventura; Sixto Domínguez; Carla Bazzicalupi; Antonio Bianchi; Leopoldo Suescun; Alvaro W. Mombrú","ReO<small><sub>2</sub></small><small><sup>+</sup></small> chelates with aliphatic diamines. Structural and proton transfer properties","New Journal of Chemistry","2006","30","11","1650","","10.1039/b606797b","","","0.71069","MoKα","","0.0554","0.043","","","0.126","0.1335","","","","","","1.102","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052344","8.513","0.005","15.322","0.005","16.926","0.005","90","","90","","90","","2207.8","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H33 Cl2 N4 O10 Re -","- C12 H32 Cl2 N4 O10 Re -","- C48 H128 Cl8 N16 O40 Re4 -","4","0.5","","Jorge S. Gancheff; Carlos Kremer; Oscar N. Ventura; Sixto Domínguez; Carla Bazzicalupi; Antonio Bianchi; Leopoldo Suescun; Alvaro W. Mombrú","ReO<small><sub>2</sub></small><small><sup>+</sup></small> chelates with aliphatic diamines. Structural and proton transfer properties","New Journal of Chemistry","2006","30","11","1650","","10.1039/b606797b","","","0.71069","MoKα","","0.0782","0.0422","","","0.0834","0.0965","","","","","","1.044","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052345","8.9398","0.0003","9.4924","0.0003","10.0886","0.0003","90","","90","","90","","856.12","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","p-bromophenyl methyl sulfoxide","p-bromophenyl methyl sulfoxide","","- C7 H7 Br O S -","- C7 H7 Br O S -","- C28 H28 Br4 O4 S4 -","4","1","","Naso, Francesco; Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bertolasi, Valerio","Self-assemblies of chiral p-haloaryl sulfoxides through C?H?O short contacts and halogen involving interactions","New Journal of Chemistry","2006","30","12","1782","","10.1039/b607545b","","","0.71073","MoKα","","0.04","0.0319","","","0.0777","0.081","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052346","9.4483","0.0004","10.3257","0.0005","10.9739","0.0006","90","","90","","90","","1070.62","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","p-bromophenyl i-propyl sulfoxide","p-bromophenyl i-propyl sulfoxide","","- C9 H11 Br O S -","- C9 H11 Br O S -","- C36 H44 Br4 O4 S4 -","4","1","","Naso, Francesco; Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bertolasi, Valerio","Self-assemblies of chiral p-haloaryl sulfoxides through C?H?O short contacts and halogen involving interactions","New Journal of Chemistry","2006","30","12","1782","","10.1039/b607545b","","","0.71073","MoKα","","0.0866","0.0561","","","0.1546","0.172","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052347","6.1391","0.0002","7.7239","0.0002","24.0213","0.0008","90","","90","","90","","1139.04","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","p-bromophenyl phenyl sulfoxide","p-bromophenyl phenyl sulfoxide","","- C12 H9 Br O S -","- C12 H9 Br O S -","- C48 H36 Br4 O4 S4 -","4","1","","Naso, Francesco; Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bertolasi, Valerio","Self-assemblies of chiral p-haloaryl sulfoxides through C?H?O short contacts and halogen involving interactions","New Journal of Chemistry","2006","30","12","1782","","10.1039/b607545b","","","0.71073","MoKα","","0.0562","0.0411","","","0.0964","0.1025","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052348","4.6262","0.0001","9.2833","0.0003","20.717","0.0008","90","","90","","90","","889.72","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chloromethyl p-chlorophenyl sulfoxide","chloromethyl p-chlorophenyl sulfoxide","","- C7 H6 Cl2 O S -","- C7 H6 Cl2 O S -","- C28 H24 Cl8 O4 S4 -","4","1","","Naso, Francesco; Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bertolasi, Valerio","Self-assemblies of chiral p-haloaryl sulfoxides through C?H?O short contacts and halogen involving interactions","New Journal of Chemistry","2006","30","12","1782","","10.1039/b607545b","","","0.71073","MoKα","","0.051","0.0343","","","0.0761","0.0836","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052349","13.56","0.011","7.385","0.006","26.06","0.02","90","","90","","90","","2610","4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N5 O3 -","- C13 H11 N5 O3 -","- C104 H88 N40 O24 -","8","1","","Moloy Sarkar; Sandip Banthia; Aditi Patil; Mohd. Bismillah Ansari; Anunay Samanta","pH-Regulated “Off‒On” fluorescence signalling of d-block metal ions in aqueous media and realization of molecular IMP logic function","New Journal of Chemistry","2006","30","11","1557","","10.1039/b607642d","","","0.71073","MoKα","","0.1312","0.0567","","","0.1164","0.1495","","","","","","0.95","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052350","11.609","0.002","23.52","0.005","35.59","0.007","90","","95.59","0.03","90","","9671","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C85 H80 Ag2 Cl18 N4 O15 S2 -","- C85 H80 Ag2 Cl18 N4 O15 S2 -","- C340 H320 Ag8 Cl72 N16 O60 S8 -","4","0.5","","Laugel, Guillaume; Graf, Ernest; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: on the formation of tubular coordination networks","New Journal of Chemistry","2006","30","9","1340","","10.1039/b607982m","","","0.71073","MoKα","","0.112","0.0759","","","0.223","0.2545","","","","","","1.04","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052351","17.0505","0.0006","17.6067","0.0006","12.0448","0.0005","90","","90","","90","","3615.9","0.2","273","2","273","2","","","","","","","","4","P b a n :2","-P 2ab 2b","50","","","","- C70 H60 N4 O9.5 -","- C70 H60 N4 O9.5 -","- C140 H120 N8 O19 -","2","0.25","","Laugel, Guillaume; Graf, Ernest; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: on the formation of tubular coordination networks","New Journal of Chemistry","2006","30","9","1340","","10.1039/b607982m","","","0.71073","MoKα","","0.1995","0.1117","","","0.2533","0.2845","","","","","","1.164","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052352","22.5845","0.001","12.3139","0.0005","17.2598","0.0006","90","","90","","90","","4800","0.3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C71 H60 Cl4.5 Hg2 N4 O11 -","- C71 H60 Cl4.5 Hg2 N4 O11 -","- C142 H120 Cl9 Hg4 N8 O22 -","2","0.5","","Laugel, Guillaume; Graf, Ernest; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: on the formation of tubular coordination networks","New Journal of Chemistry","2006","30","9","1340","","10.1039/b607982m","","","0.71073","MoKα","","0.1209","0.0938","","","0.2468","0.2744","","","","","","1.111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052353","6.4541","0.0001","10.0694","0.0002","26.7131","0.0006","98.7916","0.0011","93.26","0.0014","107.242","0.0013","1628.93","0.06","123","","123","","","","","","","","?","4","P -1","-P 1","2","","","","- C39 H51 N3 O -","- C39 H51 N3 O -","- C78 H102 N6 O2 -","2","1","","Edwin C. Constable; H.-J. Güntherodt; Catherine E. Housecroft; Leo Merz; Markus Neuburger; Silvia Schaffner; Yaqiu Tao","An evaluation of the relationship between two- and three-dimensional packing in self-organised monolayers and bulk crystals of amphiphilic 2,2′:6′,2″-terpyridines","New Journal of Chemistry","2006","30","10","1470","","10.1039/b608136c","","","0.71073","MoKα","","0.0489","0.0399","","0.0369","0.036","0.036","","","","","","1.1594","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052354","6.4461","0.0003","10.3457","0.0005","18.8455","0.0008","83.808","0.003","86.289","0.003","72.097","0.002","1188.3","0.1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N3 O -","- C29 H31 N3 O -","- C58 H62 N6 O2 -","2","1","","Edwin C. Constable; H.-J. Güntherodt; Catherine E. Housecroft; Leo Merz; Markus Neuburger; Silvia Schaffner; Yaqiu Tao","An evaluation of the relationship between two- and three-dimensional packing in self-organised monolayers and bulk crystals of amphiphilic 2,2′:6′,2″-terpyridines","New Journal of Chemistry","2006","30","10","1470","","10.1039/b608136c","","","0.71073","MoKα","","0.0725","0.0438","","0.0965","0.0529","0.0529","","","","","","1.128","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052355","51.0346","0.0008","5.4728","0.0001","20.8564","0.0003","90","","95.9507","0.0007","90","","5793.85","0.16","173","","173","","","","","","","","?","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H47 N3 O -","- C33 H47 N3 O -","- C264 H376 N24 O8 -","8","1","","Edwin C. Constable; H.-J. Güntherodt; Catherine E. Housecroft; Leo Merz; Markus Neuburger; Silvia Schaffner; Yaqiu Tao","An evaluation of the relationship between two- and three-dimensional packing in self-organised monolayers and bulk crystals of amphiphilic 2,2′:6′,2″-terpyridines","New Journal of Chemistry","2006","30","10","1470","","10.1039/b608136c","","","0.71073","MoKα","","0.041","0.0365","","0.0473","0.0459","0.0459","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052356","13.17","0.002","14.881","0.003","16.134","0.003","88.648","0.003","76.965","0.003","69.77","0.003","2885.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H102 Cu4 N48 O36 -","- C98 H78 Cu4 N48 O36 -","- C98 H78 Cu4 N48 O36 -","1","0.5","","Hélène Casellas; Chiara Massera; Francesco Buda; Patrick Gamez; Jan Reedijk","Crystallographic evidence of theoretically novel anion‒π interactions","New Journal of Chemistry","2006","30","11","1561","","10.1039/b608172j","","","0.71069","MoKα","","0.1216","0.0598","","","0.1435","0.1677","","","","","","1.009","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052357","6.8245","0.0005","9.5538","0.0007","12.6278","0.0009","77.174","0.004","84.4","0.004","82.637","0.004","794.13","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4-methyl-6-(3-pyridyl)pyrimidine,4-nitrobenzoic acid","","- C17 H15 N5 O4 -","- C17 H15 N5 O4 -","- C34 H30 N10 O8 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.0835","0.0506","","","0.1267","0.1485","","","","","","0.96","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052358","8.2088","0.0007","8.7891","0.0006","15.3371","0.0012","92.767","0.005","105.536","0.004","115.332","0.004","946.59","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4-(3-pyridyl)-6-methylpyrimidine, Me5-PhCOOH","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C44 H52 N8 O4 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.0915","0.0738","","","0.1959","0.21","","","","","","1.325","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052359","8.3089","0.0006","8.9991","0.0007","11.1671","0.0007","85.733","0.004","69.174","0.004","77.699","0.005","762.52","0.1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4-(3-pyridyl)-6-methylpyrimidine, 4-hydroxybenzoic acid","","- C17 H16 N4 O3 -","- C17 H16 N4 O3 -","- C34 H32 N8 O6 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.1129","0.0863","","","0.2031","0.2161","","","","","","1.161","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052360","7.8442","0.0012","8.8879","0.0014","14.216","0.002","101.607","0.002","90.83","0.002","106.753","0.002","926.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4-(6-methoxy-3-pyridyl)-6-methylpyrimidine, 4-(Me2N)-PhCOOH","","- C20 H23 N5 O3 -","- C20 H23 N5 O3 -","- C40 H46 N10 O6 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.0563","0.0458","","","0.1234","0.1318","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052361","33.158","0.004","7.3848","0.0007","14.1634","0.0016","90","","106.439","0.006","90","","3326.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2-amino-4-(6-methoxy-3-pyridyl)-6-methylpyrimidine), (2,4-difluorobenzoic acid)","","- C18 H16 F2 N4 O3 -","- C18 H16 F2 N4 O3 -","- C144 H128 F16 N32 O24 -","8","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.1522","0.0558","","","0.1233","0.1514","","","","","","0.876","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052362","5.3534","0.0005","12.6941","0.0012","15.188","0.0014","87.755","0.001","82.921","0.001","87.542","0.002","1022.72","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(2-amino-4-(6-methoxy-3-pyridyl)-6-methylpyrimidine), Me5-PhCOOH","","- C23 H28 N4 O3 -","- C23 H28 N4 O3 -","- C46 H56 N8 O6 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.0711","0.0519","","","0.1352","0.1483","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052363","7.374","0.011","8.385","0.013","17.56","0.03","93.51","0.1","96.29","0.07","104.5","0.11","1040","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-(3-methoxy-5-pyridyl)-2-(2-amino-6-methyl-4-pyrimidyl)ethyne, (NO2)2PhCOOH","","- C20 H16 N6 O7 -","- C20 H16 N6 O7 -","- C40 H32 N12 O14 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.2841","0.1139","","","0.2495","0.3299","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052364","6.9157","0.0012","6.9405","0.0012","19.854","0.004","87.646","0.003","80.636","0.003","81.138","0.003","928.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","[1-(3-OMe-5-pyridyl)-2-(2-amino-4-methyl-6-pyrimidyl)-ethyne], NO2PhCOOH","","- C20 H17 N5 O5 -","- C20 H17 N5 O5 -","- C40 H34 N10 O10 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.1084","0.0532","","","0.1136","0.1382","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052365","10.5742","0.0019","14.599","0.003","13.519","0.003","90","","102.453","0.011","90","","2037.9","0.7","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[1-(3-OMe-5-pyridyl)-2-(2-amino-4-methyl-6-pyrimidyl)-ethyne], 3-Me2N-PhCOOH","","- C22 H23 N5 O3 -","- C22 H23 N5 O3 -","- C88 H92 N20 O12 -","4","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.1809","0.0773","","","0.1753","0.2304","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052366","11.503","0.0012","12.2691","0.0014","12.5077","0.0014","104.268","0.013","113.245","0.012","92.87","0.012","1550.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bu4N, cis-Au(tfadt)","","","- C24 H36 Au F6 N3 S4 -","- C24 H36 Au F6 N3 S4 -","- C48 H72 Au2 F12 N6 S8 -","2","1","","Olivier Jeannin; Marc Fourmigué","Perylene salts of unsymmetrical nickel and gold dithiolene complexes with 3 ∶ 2 stoichiometry: conformational polymorphism and strong antiferromagnetic interactions","New Journal of Chemistry","2006","30","12","1774","","10.1039/b608420f","","","0.71073","MoKα","","0.0434","0.0334","","","0.0825","0.0879","","","","","","1.042","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052367","10.867","0.0013","12.7568","0.0016","13.221","0.0015","111.176","0.013","103.135","0.014","96.571","0.015","1624.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Perylene)3, [Au(tfadt)2]2","","","- C76 H36 Au2 F12 N4 S8 -","- C76 H36 Au2 F12 N4 S8 -","- C76 H36 Au2 F12 N4 S8 -","1","0.5","","Olivier Jeannin; Marc Fourmigué","Perylene salts of unsymmetrical nickel and gold dithiolene complexes with 3 ∶ 2 stoichiometry: conformational polymorphism and strong antiferromagnetic interactions","New Journal of Chemistry","2006","30","12","1774","","10.1039/b608420f","","","0.71073","MoKα","","0.0399","0.0258","","","0.0473","0.0499","","","","","","0.938","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052368","10.8853","0.0014","12.6566","0.0014","13.1882","0.0016","113.253","0.013","103.614","0.014","94.149","0.014","1594.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(perylene)1.5,[Ni(tfadt)2]","","","- C38 H18 F6 N2 Ni S4 -","- C38 H18 F6 N2 Ni S4 -","- C76 H36 F12 N4 Ni2 S8 -","2","1","","Olivier Jeannin; Marc Fourmigué","Perylene salts of unsymmetrical nickel and gold dithiolene complexes with 3 ∶ 2 stoichiometry: conformational polymorphism and strong antiferromagnetic interactions","New Journal of Chemistry","2006","30","12","1774","","10.1039/b608420f","","","0.71073","MoKα","","0.1187","0.046","","","0.1111","0.1385","","","","","","0.823","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052369","25.7658","0.0012","8.0568","0.0005","17.6766","0.0009","90","","117.347","0.004","90","","3259.4","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","PPh4+, Au(tfadt)2-","","","- C32 H20 Au F6 N2 P S4 -","- C32 H20 Au F6 N2 P S4 -","- C128 H80 Au4 F24 N8 P4 S16 -","4","0.5","","Olivier Jeannin; Marc Fourmigué","Perylene salts of unsymmetrical nickel and gold dithiolene complexes with 3 ∶ 2 stoichiometry: conformational polymorphism and strong antiferromagnetic interactions","New Journal of Chemistry","2006","30","12","1774","","10.1039/b608420f","","","0.71073","MoKα","","0.064","0.0397","","","0.1022","0.1187","","","","","","1.148","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052370","11.155","0.0013","11.7052","0.0013","13.5301","0.0015","73.117","0.013","78.734","0.014","67.536","0.013","1555.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","TBA, Au(tfadt)2","","","- C24 H36 Au F6 N3 S4 -","- C24 H36 Au F6 N3 S4 -","- C48 H72 Au2 F12 N6 S8 -","2","1","","Olivier Jeannin; Marc Fourmigué","Perylene salts of unsymmetrical nickel and gold dithiolene complexes with 3 ∶ 2 stoichiometry: conformational polymorphism and strong antiferromagnetic interactions","New Journal of Chemistry","2006","30","12","1774","","10.1039/b608420f","","","0.71073","MoKα","","0.0606","0.0385","","","0.0847","0.0946","","","","","","1.042","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052371","3.973","0.003","10.96","0.007","36.13","0.02","90","","91.289","0.01","90","","1572.8","1.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 O2 S2 -","- C22 H12 O2 S2 -","- C88 H48 O8 S8 -","4","1","","Gautrot, Julien E.; Hodge, Philip; Cupertino, Domenico; Helliwell, Madeleine","Experimental evidence for carbonyl?? electron cloud interactions","New Journal of Chemistry","2006","30","12","1801","","10.1039/b608628d","","","0.71073","MoKα","","0.0605","0.0425","","","0.0983","0.1048","","","","","","1.036","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052372","5.876","0.0007","9.9959","0.0012","17.79","0.002","102.163","0.002","91.168","0.002","103.455","0.002","990.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H14 Br2 O2 -","- C26 H14 Br2 O2 -","- C52 H28 Br4 O4 -","2","1","","Gautrot, Julien E.; Hodge, Philip; Cupertino, Domenico; Helliwell, Madeleine","Experimental evidence for carbonyl?? electron cloud interactions","New Journal of Chemistry","2006","30","12","1801","","10.1039/b608628d","","","0.71073","MoKα","","0.0546","0.0382","","","0.0834","0.0906","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052373","24.531","0.005","11.147","0.005","17.686","0.005","90","","133.306","0.005","90","","3519","2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cl2 Fe N6 O8 -","- C28 H24 Cl2 Fe N6 O8 -","- C112 H96 Cl8 Fe4 N24 O32 -","4","0.5","","Genre, Caroline; Matouzenko, Galina S.; Jeanneau, Erwann; Luneau, Dominique","A spin-crossover iron(ii) coordination polymer with the 8-aminoquinoline ligand: synthesis, crystal structure and magnetic properties of [Fe(aqin)2(4,4?-bpy)](ClO4)2?2EtOH (aqin = 8-aminoquinoline, 4,4?-bpy = 4,4?-bipyridyl)","New Journal of Chemistry","2006","30","11","1669","","10.1039/b608679a","","","0.71069","MoKα","","0.1995","0.1275","","0.2011","0.1364","0.1364","","","","","","1.1034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052374","25.192","0.005","11.485","0.005","18.005","0.005","90","","133.652","0.005","90","","3769","2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cl2 Fe N6 O8 -","- C28 H24 Cl2 Fe N6 O8 -","- C112 H96 Cl8 Fe4 N24 O32 -","4","0.5","","Genre, Caroline; Matouzenko, Galina S.; Jeanneau, Erwann; Luneau, Dominique","A spin-crossover iron(ii) coordination polymer with the 8-aminoquinoline ligand: synthesis, crystal structure and magnetic properties of [Fe(aqin)2(4,4?-bpy)](ClO4)2?2EtOH (aqin = 8-aminoquinoline, 4,4?-bpy = 4,4?-bipyridyl)","New Journal of Chemistry","2006","30","11","1669","","10.1039/b608679a","","","0.71069","MoKα","","0.2454","0.1307","","0.3139","0.1438","0.1438","","","","","","1.1309","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052375","7.232","0.0014","9.89","0.002","24.259","0.005","90","","90","","90","","1735.1","0.6","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Fe N2 -","- C21 H20 Fe N2 -","- C84 H80 Fe4 N8 -","4","1","","Lo, Kenneth Kam-Wing; Lau, Jason Shing-Yip; Zhu, Nianyong","Synthesis, crystal structures, electrochemical and protein-binding properties of ferrocene?indole conjugates","New Journal of Chemistry","2006","30","11","1567","","10.1039/b609052d","","","0.71069","MoKα","","0.0351","0.0261","","","0.0534","0.055","","","","","","0.875","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052376","6.907","0.0014","13.826","0.003","17.936","0.004","90","","91.36","0.03","90","","1712.3","0.6","253","2","253","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Fe N2 -","- C21 H22 Fe N2 -","- C84 H88 Fe4 N8 -","4","1","","Lo, Kenneth Kam-Wing; Lau, Jason Shing-Yip; Zhu, Nianyong","Synthesis, crystal structures, electrochemical and protein-binding properties of ferrocene?indole conjugates","New Journal of Chemistry","2006","30","11","1567","","10.1039/b609052d","","","0.71073","MoKα","","0.0393","0.0284","","","0.085","0.0874","","","","","","1.046","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052377","9.4753","0.001","12.7836","0.0013","15.653","0.002","73.346","0.002","81.158","0.002","86.034","0.002","1794.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N2 O2 S3 -","- C16 H22 N2 O2 S3 -","- C64 H88 N8 O8 S12 -","4","2","","Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder","Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction","New Journal of Chemistry","2006","30","12","1755","","10.1039/b609180f","","","0.71073","MoKα","","0.131","0.0542","","","0.0878","0.105","","","","","","0.817","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052378","13.45","0.003","7.195","0.002","20.096","0.004","90","","106.53","0.03","90","","1864.4","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O S4 -","- C16 H22 N2 O S4 -","- C64 H88 N8 O4 S16 -","4","1","","Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder","Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction","New Journal of Chemistry","2006","30","12","1755","","10.1039/b609180f","","","0.71073","MoKα","","0.0469","0.0364","","","0.0781","0.0878","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052379","5.4621","0.0004","19.624","0.0014","16.0384","0.0012","90","","91.023","0.002","90","","1718.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O3 S2 -","- C16 H22 N2 O3 S2 -","- C64 H88 N8 O12 S8 -","4","1","","Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder","Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction","New Journal of Chemistry","2006","30","12","1755","","10.1039/b609180f","","","0.71073","MoKα","","0.0553","0.0355","","","0.0794","0.0851","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052380","12.5943","0.0008","14.8366","0.001","10.1311","0.0007","90","","99.462","0.001","90","","1867.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 N3 O3 S2 -","- C15 H29 N3 O3 S2 -","- C60 H116 N12 O12 S8 -","4","1","","Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder","Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction","New Journal of Chemistry","2006","30","12","1755","","10.1039/b609180f","","","0.71073","MoKα","","0.0575","0.0371","","","0.0845","0.0906","","","","","","0.929","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052381","10.308","0.0007","10.3129","0.0007","16.9116","0.0011","88.351","0.001","84.537","0.001","72.061","0.001","1702.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H48 Cl2 N6 O5 S2 -","- C25 H46 Cl2 N6 O5 S2 -","- C50 H92 Cl4 N12 O10 S4 -","2","1","","Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder","Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction","New Journal of Chemistry","2006","30","12","1755","","10.1039/b609180f","","","0.71073","MoKα","","0.0678","0.0595","","","0.171","0.18","","","","","","1.052","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052382","17.049","0.003","10.189","0.002","17.316","0.003","90","","115.526","0.003","90","","2714.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 N4 O2 S3 -","- C26 H36 N4 O2 S3 -","- C104 H144 N16 O8 S12 -","4","1","","Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder","Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction","New Journal of Chemistry","2006","30","12","1755","","10.1039/b609180f","","","0.71073","MoKα","","0.0502","0.0366","","","0.0956","0.101","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052383","11.967","0.002","20.985","0.004","7.75","0.002","90","","93.036","0.003","90","","1943.5","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Ag N3 O4 S3 -","- C14 H28 Ag N3 O4 S3 -","- C56 H112 Ag4 N12 O16 S12 -","4","1","","Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder","Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction","New Journal of Chemistry","2006","30","12","1755","","10.1039/b609180f","","","0.71073","MoKα","","0.0563","0.0271","","","0.0404","0.0442","","","","","","0.833","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052384","9.151","0.0002","14.8907","0.0003","17.1566","0.0004","90","","104.576","0.0008","90","","2262.6","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetraethyleneammonium 1-phenyl-1-monocarba-6-iodo-undecaborane","","- C15 H33 B9 I N -","- C15 H33 B9 I N -","- C60 H132 B36 I4 N4 -","4","1","","Sumby, Christopher J.; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Kilner, Colin A.; Hardie, Michaele J.","Crystal-packing motifs of [Ag4L4]4+ star-burst tetrahedra","New Journal of Chemistry","2006","30","10","1390","","10.1039/b609356f","","","0.71069","MoKα","","0.0356","0.0313","","","0.0809","0.0839","","","","","","1.058","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052385","19.5276","0.0012","19.5276","0.0012","93.94","0.002","90","","90","","120","","31023","3","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","tetrakis[2,7,12-trimethoxy-3,8,13-tris(4-pyridylmethylamino)-10,15- dihydro-5H-tribenzo[a,d,g]cyclononene]-tris(acetonitrile)tetrasilver(I) hexafluorophosphate acetonitrile clathrate hydrate","","- C184 H194 Ag4 F24 N32 O13 P4 -","- C192 H191.94 Ag4 F24.05 N34 O12.99 P4.01 -","- C1152 H1151.64 Ag24 F144.3 N204 O77.94 P24.06 -","6","0.333333","","Sumby, Christopher J.; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Kilner, Colin A.; Hardie, Michaele J.","Crystal-packing motifs of [Ag4L4]4+ star-burst tetrahedra","New Journal of Chemistry","2006","30","10","1390","","10.1039/b609356f","","","0.71073","MoKα","","0.1293","0.1116","","","0.2859","0.3006","","","","","","1.099","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052386","20.1481","0.0019","23.478","0.003","30.814","0.003","68.529","0.005","73.259","0.004","65.528","0.004","12185","2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","tetrakis[2,7,12-trimethoxy-3,8,13-tris(4-pyridylmethylamino)- 10,15-dihydro-5H-tribenzo[a,d,g]cyclononene]-di(acetonitrile) bis(1-phenyl-1-monocarba-6-iodo-undecaborane)tetrasilver(I) 1-phenyl-1-monocarba-6-iodo-undecaborane acetonitrile clathrate","","- C222 H259 Ag4 B36 I4 N37 O12 -","- C222 H259 Ag4 B36 I4 N37 O12 -","- C444 H518 Ag8 B72 I8 N74 O24 -","2","1","","Sumby, Christopher J.; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Kilner, Colin A.; Hardie, Michaele J.","Crystal-packing motifs of [Ag4L4]4+ star-burst tetrahedra","New Journal of Chemistry","2006","30","10","1390","","10.1039/b609356f","","","0.71073","MoKα","","0.1664","0.0944","","","0.2468","0.304","","","","","","1.088","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052387","11.117","0.001","18.714","0.001","18.941","0.001","90","","90","","90","","3940.6","0.5","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H54 Br2 N2 O P2 -","- C39 H54 Br2 N2 O P2 -","- C156 H216 Br8 N8 O4 P8 -","4","1","","Matthieu Demange; Leila Boubekeur; Audrey Auffrant; Nicolas Mézailles; Louis Ricard; Xavier Le Goff; Pascal Le Floch","A new and convenient approach towards bis(iminophosphoranyl)methane ligands and their dicationic, cationic, anionic and dianionic derivatives","New Journal of Chemistry","2006","30","12","1745","","10.1039/b610049j","","","0.71069","MoKα","","0.0492","0.0342","","","0.0712","0.0758","","","","","","1.038","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052388","11.05","0.001","17.697","0.001","17.839","0.001","90","","97.322","0.001","90","","3460","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H45 Br N2 O P2 -","- C35 H45 Br N2 O P2 -","- C140 H180 Br4 N8 O4 P8 -","4","1","","Matthieu Demange; Leila Boubekeur; Audrey Auffrant; Nicolas Mézailles; Louis Ricard; Xavier Le Goff; Pascal Le Floch","A new and convenient approach towards bis(iminophosphoranyl)methane ligands and their dicationic, cationic, anionic and dianionic derivatives","New Journal of Chemistry","2006","30","12","1745","","10.1039/b610049j","","","0.71069","MoKα","","0.0705","0.0364","","","0.0722","0.0809","","","","","","0.955","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052389","14.22","0.001","10.278","0.001","20.462","0.001","90","","93.927","0.001","90","","2983.6","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N2 P2 -","- C37 H32 N2 P2 -","- C148 H128 N8 P8 -","4","1","","Matthieu Demange; Leila Boubekeur; Audrey Auffrant; Nicolas Mézailles; Louis Ricard; Xavier Le Goff; Pascal Le Floch","A new and convenient approach towards bis(iminophosphoranyl)methane ligands and their dicationic, cationic, anionic and dianionic derivatives","New Journal of Chemistry","2006","30","12","1745","","10.1039/b610049j","","","0.71069","MoKα","","0.0492","0.0379","","","0.1033","0.1102","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052390","15.799","0.001","10.945","0.001","20.552","0.001","90","","98.349","0.001","90","","3516.2","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 Li N2 O P2 -","- C41 H41 Li N2 O P2 -","- C164 H164 Li4 N8 O4 P8 -","4","1","","Matthieu Demange; Leila Boubekeur; Audrey Auffrant; Nicolas Mézailles; Louis Ricard; Xavier Le Goff; Pascal Le Floch","A new and convenient approach towards bis(iminophosphoranyl)methane ligands and their dicationic, cationic, anionic and dianionic derivatives","New Journal of Chemistry","2006","30","12","1745","","10.1039/b610049j","","","0.71069","MoKα","","0.0796","0.0463","","","0.1207","0.1341","","","","","","1.057","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052391","18.344","0.001","16.708","0.001","25.57","0.001","90","","106.406","0.001","90","","7517.9","0.7","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H94 Li4 N4 O P4 -","- C72 H89 Li4 N4 O0.5 P4 -","- C288 H356 Li16 N16 O2 P16 -","4","2","","Matthieu Demange; Leila Boubekeur; Audrey Auffrant; Nicolas Mézailles; Louis Ricard; Xavier Le Goff; Pascal Le Floch","A new and convenient approach towards bis(iminophosphoranyl)methane ligands and their dicationic, cationic, anionic and dianionic derivatives","New Journal of Chemistry","2006","30","12","1745","","10.1039/b610049j","","","0.71069","MoKα","","0.0504","0.0393","","","0.0975","0.102","","","","","","0.998","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052392","11.2887","0.0009","11.8949","0.0009","11.9433","0.0009","117.911","0.008","98.65","0.009","91.797","0.009","1391.5","0.2","293","2","123","2","","","","","","","","6","P 1","P 1","1","Bis(potassium-(4,7,13,1621,24-Hexaoxa-1,10- diazabicyclo(8.8.8)hexacosane))-nonagermanid - ammonia(1/4)","Bis[potassium-(4,7,13,1621,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)]- nonagermanid - ammonia(1/4)","","- C36 H84 Ge5 K2 N8 O12 -","- C36 H84 Ge5 K2 N8 O12 -","- C36 H84 Ge5 K2 N8 O12 -","1","1","","Suchentrunk, Christof; Korber, Nikolaus","Ge52? Zintl anions: synthesis and crystal structures of [K([2.2.2]-crypt)]2Ge5?4NH3 and [Rb([2.2.2]-crypt)]2Ge5?4NH3","New Journal of Chemistry","2006","30","12","1737","","10.1039/b610547e","","","0.71073","MoKα","","0.0501","0.0449","","","0.1181","0.1205","","","","","","1.063","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052393","11.3169","0.0015","12.3333","0.0015","20.915","0.003","89.183","0.013","83.6","0.02","78.266","0.015","2840.3","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","Bis(rubidium-(4,7,13,1621,24-Hexaoxa-1,10- diazabicyclo(8.8.8)hexacosane))-nonagermanid - ammonia(1/4)","Bis[rubidium-(4,7,13,1621,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)]- nonagermanid - ammonia(1/4)","","- C36 H84 Ge5 N8 O12 Rb2 -","- C36 H84 Ge5 N8 O12 Rb2 -","- C72 H168 Ge10 N16 O24 Rb4 -","2","1","","Suchentrunk, Christof; Korber, Nikolaus","Ge52? Zintl anions: synthesis and crystal structures of [K([2.2.2]-crypt)]2Ge5?4NH3 and [Rb([2.2.2]-crypt)]2Ge5?4NH3","New Journal of Chemistry","2006","30","12","1737","","10.1039/b610547e","","","0.71073","MoKα","","0.0671","0.042","","","0.0946","0.1013","","","","","","0.883","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052394","6.0136","0.0017","29.216","0.008","7.656","0.002","90","","91.536","0.006","90","","1344.6","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N8 -","- C34 H22 N8 -","- C68 H44 N16 -","2","0.5","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.71073","MoKα","","0.1262","0.0458","","","0.1061","0.1466","","","","","","0.888","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052395","6.2391","0.0004","11.626","0.0008","15.4933","0.0011","93.237","0.001","91.763","0.001","100.927","0.001","1100.7","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H26 Cl12 N8 -","- C38 H26 Cl12 N8 -","- C38 H26 Cl12 N8 -","1","0.5","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.6768","synchrotron","","0.0649","0.0582","","","0.1419","0.1454","","","","","","1.057","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052396","24.367","0.006","5.9124","0.0015","21.707","0.006","90","","112.744","0.004","90","","2884.1","1.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H25 Cl3 N8 -","- C33 H25 Cl3 N8 -","- C132 H100 Cl12 N32 -","4","0.5","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.71073","MoKα","","0.1067","0.0571","","","0.1279","0.1412","","","","","","0.886","","","","has coordinates","194618","2020-10-21","18:00:00",""
"7052397","18.067","0.002","5.501","0.0006","16.801","0.002","90","","102.921","0.002","90","","1627.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N8 O2 S2 -","- C34 H34 N8 O2 S2 -","- C68 H68 N16 O4 S4 -","2","0.5","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.71073","MoKα","","0.0887","0.0626","","","0.1348","0.1459","","","","","","1.052","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052398","10.403","0.002","16.763","0.003","17.194","0.003","80.373","0.003","82.56","0.003","82.475","0.003","2912.9","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.75 H37.25 Cl3.75 Cu4 N14 O22.5 -","- C39.75 H37.25 Cl3.75 Cu4 N14 O22.5 -","- C79.5 H74.5 Cl7.5 Cu8 N28 O45 -","2","1","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.6768","synchrotron","","0.1106","0.0625","","","0.1837","0.213","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052399","8.43","0.002","10.588","0.003","16.58","0.004","85.393","0.004","81.475","0.004","84.808","0.004","1454.2","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.2 H41.2 Cl3.6 Cu4 N14 O22 -","- C41.2 H41.2 Cl3.6 Cu4 N14 O22 -","- C41.2 H41.2 Cl3.6 Cu4 N14 O22 -","1","0.5","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.6906","synchrotron","","0.158","0.0842","","","0.214","0.261","","","","","","1.006","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052400","9.4936","0.0019","10.691","0.002","22.746","0.005","85.21","0.03","85.11","0.03","74.06","0.03","2207.4","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cd2 N12 O15 -","- C38 H42 Cd2 N12 O15 -","- C76 H84 Cd4 N24 O30 -","2","1","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.6749","Synchrotron","","0.0428","0.0335","","","0.0807","0.0863","","","","","","1.034","","","","has coordinates,has disorder","180078","2020-10-21","18:00:00",""
"7052401","10.7406","0.0004","21.5613","0.001","16.7294","0.0008","90","","99.066","0.003","90","","3825.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H54 Cd2 N28 O12 -","- C90 H54 Cd2 N28 O12 -","- C180 H108 Cd4 N56 O24 -","2","0.5","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.71073","MoKα","","0.168","0.0805","","","0.117","0.144","","","","","","1.05","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7053690","7.8542","0.0001","11.982","0.0002","14.1992","0.0003","90.439","0.001","92.745","0.001","101.822","0.001","1306.22","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.5 H18 Cl N O2 S9 -","- C20.5 H18 Cl N O2 S9 -","- C41 H36 Cl2 N2 O4 S18 -","2","1","","Wang, Qiang; Day, Peter; Griffiths, Jon-Paul; Nie, Hui; Wallis, John D.","Synthetic strategies for preparing BEDT-TTF derivatives functionalised with metal ion binding groups","New Journal of Chemistry","2006","30","12","1790","","10.1039/b606715h","","","0.71073","MoKα","","0.0473","0.0377","","","0.0844","0.0884","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053691","6.249","0.0001","11.0486","0.0003","16.4757","0.0004","82.167","0.002","82.328","0.002","87.627","0.002","1116.51","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Tosyloxymethyl-ET","","- C18 H16 O3 S9 -","- C18 H15.351 O3 S9 -","- C36 H30.702 O6 S18 -","2","1","","Wang, Qiang; Day, Peter; Griffiths, Jon-Paul; Nie, Hui; Wallis, John D.","Synthetic strategies for preparing BEDT-TTF derivatives functionalised with metal ion binding groups","New Journal of Chemistry","2006","30","12","1790","","10.1039/b606715h","","","0.71073","MoKα","","0.0467","0.0393","","","0.1073","0.112","","","","","","1.054","","","","has coordinates,has disorder","180090","2020-10-21","18:00:00",""
"7054209","13.236","0.005","13.934","0.005","18.545","0.005","102.109","0.005","90.215","0.005","112.416","0.005","3078.2","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","di-naphtalen-boron-substituted Bodipy","","","- C38 H39 B N2 -","- C38 H39 B N2 -","- C152 H156 B4 N8 -","4","2","","Ulrich, Gilles; Goze, Christine; Goeb, Sébastien; Retailleau, Pascal; Ziessel, Raymond","New fluorescent aryl- or ethynylaryl-boron-substituted indacenes as promising dyes","New Journal of Chemistry","2006","30","7","982","986","10.1039/b604830g","","","0.71069","MoKα","","0.0881","0.0587","","","0.1565","0.1809","","","","","","1.028","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054210","24.3724","0.0009","22.2422","0.0008","23.34","0.001","90","0.002","119.279","0.002","90","0.003","11036.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","para-sulfonatocalix(8)arene / 1,4-hexanediammonium cation complex","","","- C69 H64 N6 O35 S8 -","- C69 H64 N6 O35 S8 -","- C276 H256 N24 O140 S32 -","4","0.5","","Perret, Florent; Bonnard, Vanessa; Danylyuk, Oksana; Suwinska, Kinga; Coleman, Anthony W.","Conformational extremes in the supramolecular assemblies of para-sulfonato-calix[8]arene","New Journal of Chemistry","2006","30","7","987","","10.1039/b604349f","","","0.71073","MoKα","","0.2058","0.1892","","","0.4826","0.4992","","","","","","2.196","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054211","12.5225","0.0001","25.6792","0.0003","14.5478","0.0002","90","0.001","102.421","0.001","90","0.001","4568.61","0.09","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","para-sulfonatocalix(8)arene / 1,2-cis-cyclohexanediammonium cation","","","- C80 H104 N8 O40 S8 -","- C80 H104 N8 O40 S8 -","- C160 H208 N16 O80 S16 -","2","0.5","","Perret, Florent; Bonnard, Vanessa; Danylyuk, Oksana; Suwinska, Kinga; Coleman, Anthony W.","Conformational extremes in the supramolecular assemblies of para-sulfonato-calix[8]arene","New Journal of Chemistry","2006","30","7","987","","10.1039/b604349f","","","0.71073","MoKα","","0.2641","0.235","","","0.6173","0.6225","","","","","","2.689","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054212","8.7347","0.0007","11.5839","0.0009","14.6847","0.0011","90","","90.829","0.001","90","","1485.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cr N O3 -","- C17 H13 Cr N O3 -","- C68 H52 Cr4 N4 O12 -","4","1","","Che, Yanchao; Tian, Xiaohui; Chen, Hui; Tang, Zhenyu; Lin, Jiaping","Syntheses and third-order NLO properties of ?6 complexes of N-ethylcarbazole with Cr(CO)3 and Cr(CO)2PPh3 moieties","New Journal of Chemistry","2006","30","6","883","","10.1039/b518346d","","","0.71073","MoKα","","0.0469","0.0402","","","0.1098","0.1141","","","","","","1.021","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054213","10.0091","0.0009","10.7369","0.001","14.6282","0.0014","90.88","0.002","90.925","0.002","101.742","0.002","1538.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 Cl2 Cr N O2 P -","- C35 H30 Cl2 Cr N O2 P -","- C70 H60 Cl4 Cr2 N2 O4 P2 -","2","1","","Che, Yanchao; Tian, Xiaohui; Chen, Hui; Tang, Zhenyu; Lin, Jiaping","Syntheses and third-order NLO properties of ?6 complexes of N-ethylcarbazole with Cr(CO)3 and Cr(CO)2PPh3 moieties","New Journal of Chemistry","2006","30","6","883","","10.1039/b518346d","","","0.71073","MoKα","","0.0851","0.0699","","","0.2109","0.2249","","","","","","1.112","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7100613","12.245","0.002","15.779","0.002","16.87","0.002","90","","106.888","0.002","90","","3118.9","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","NiLFe(CO)3","","","- C32.5 H32 Fe N2 Ni O3 S2 -","- C32.5 H31.5 Fe N2 Ni O3 S2 -","- C130 H126 Fe4 N8 Ni4 O12 S8 -","4","1","","Stenson, Philip A.; Marin-Becerra, Armando; Wilson, Claire; Blake, Alexander J.; McMaster, Jonathan; Schröder, Martin","Formation of [(L)Ni(μ2-S)x{Fe(CO)3}x] adducts (x = 1 or 2): analogues of the active site of [NiFe] hydrogenase","Chemical Communications (Cambridge, United Kingdom)","2006","","3","317","319","10.1039/b509798c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209509","2020-10-21","18:00:00",""
"7100614","18.1561","0.0016","9.5235","0.0009","15.685","0.0014","90","","91.571","0.002","90","","2711.1","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","NiL'(C3)Fe2","","","- C25 H20 Fe2 N2 Ni O6 S2 -","- C25 H20 Fe2 N2 Ni O6 S2 -","- C100 H80 Fe8 N8 Ni4 O24 S8 -","4","0.5","","Stenson, Philip A.; Marin-Becerra, Armando; Wilson, Claire; Blake, Alexander J.; McMaster, Jonathan; Schröder, Martin","Formation of [(L)Ni(μ2-S)x{Fe(CO)3}x] adducts (x = 1 or 2): analogues of the active site of [NiFe] hydrogenase","Chemical Communications (Cambridge, United Kingdom)","2006","","3","317","319","10.1039/b509798c","","","","","","","","","","","","","","","","","","","","","has coordinates","209509","2020-10-21","18:00:00",""
"7100615","8.57","0.002","9.057","0.002","11.767","0.003","76.164","0.003","87.506","0.003","89.673","0.003","886","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","NiL","","","- C19 H20 N2 Ni S2 -","- C19 H20 N2 Ni S2 -","- C38 H40 N4 Ni2 S4 -","2","1","","Stenson, Philip A.; Marin-Becerra, Armando; Wilson, Claire; Blake, Alexander J.; McMaster, Jonathan; Schröder, Martin","Formation of [(L)Ni(μ2-S)x{Fe(CO)3}x] adducts (x = 1 or 2): analogues of the active site of [NiFe] hydrogenase","Chemical Communications (Cambridge, United Kingdom)","2006","","3","317","319","10.1039/b509798c","","","","","","","","","","","","","","","","","","","","","has coordinates","209509","2020-10-21","18:00:00",""
"7100616","11.094","0.002","12.523","0.003","17.56","0.004","104.49","0.03","92.84","0.03","110.07","0.03","2193.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.5 H23 Cl3 N4 O Ru -","- C16.5 H21 Cl3 N4 O Ru -","- C66 H84 Cl12 N16 O4 Ru4 -","4","2","","Perez, Julio; Laura Ion; Richard A. Kowenicki; M. McPartlin; Dolores Morales; Lucia Riera; V. Riera","ruthenium biimidazole complexes as anion receptors","Chemical Communications","2006","","","","","10.1039/b510016j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100617","16.048","0.003","13.798","0.003","16.47","0.003","90","","90","","90","","3646.9","1.3","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Cl N5 O3 Ru -","- C16 H20 Cl N5 O3 Ru -","- C128 H160 Cl8 N40 O24 Ru8 -","8","1","","Perez, Julio; Laura Ion; Richard A. Kowenicki; M. McPartlin; Dolores Morales; Lucia Riera; V. Riera","ruthenium biimidazole complexes as anion receptors","Chemical Communications","2006","","","","","10.1039/b510016j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100618","7.6005","0.0003","9.0722","0.0004","10.5034","0.0005","86.798","0.003","79.255","0.003","79.767","0.003","700.03","0.05","160","1","160","1","","","","","","","","4","P 1","P 1","1","","","","- C21 H40 N8 O11 -","- C21 H40 N8 O11 -","- C21 H40 N8 O11 -","1","1","","Ghasparian, Arin; Möhle, Kerstin; Linden, Anthony; Robinson, John, A.","Crystal Structure of an NPNA-Repeat Motif from the Circumsporozoite Protein of the Malaria Parasite Plasmodium falciparum","Chemical Communications","2006","","","","","10.1039/b510812h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100619","10.3888","0.0004","12.6906","0.0013","20.1427","0.0008","90","","90","","90","","2655.6","0.3","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 N P2 Rh -","- C26 H38 N P2 Rh -","- C104 H152 N4 P8 Rh4 -","4","1","","Oleg Ozerov","Skeletal Change In The PNP Pincer Ligand Leads To A Highly Regioselective Alkyne Dimerization Catalyst","Chemical Communications","2006","","","","","10.1039/b511148j","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100620","18.053","0.014","18.053","0.014","16.603","0.005","90","","90","","90","","5411","6","294","","294","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H42 N P2 Rh -","- C26 H40 N P2 Rh -","- C208 H320 N8 P16 Rh8 -","8","0.5","","","","Chemical Communications","2006","","","","","10.1039/b511148j","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100621","15.0241","0.0015","14.1648","0.0014","16.2817","0.0016","90","","116.708","0.002","90","","3095.3","0.5","218","2","218","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H31 B11 Br6 O2 S Si -","- C12 H31 B11 Br6 O2 S Si -","- C48 H124 B44 Br24 O8 S4 Si4 -","4","1","","C. Reed; Stephan P. Hoffmann; Tsuyoshi Kato; Fook S. Tham","Novel weak coordination to silylium ions. Formation of nearly linear Si-H-Si bonds.","Chemical Communications","2006","","","","","10.1039/b511344j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180108","2020-10-21","18:00:00",""
"7100622","14.9219","0.001","13.6733","0.0009","18.5433","0.0013","90","","110.906","0.002","90","","3534.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 B11 Cl13 Si -","- C16 H26 B11 Cl13 Si -","- C64 H104 B44 Cl52 Si4 -","4","1","","C. Reed; Stephan P. Hoffmann; Tsuyoshi Kato; Fook S. Tham","Novel weak coordination to silylium ions. Formation of nearly linear Si-H-Si bonds.","Chemical Communications","2006","","","","","10.1039/b511344j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180108","2020-10-21","18:00:00",""
"7100623","16.3508","0.0006","10.2062","0.0004","17.5343","0.0006","90","","117.602","0.0014","90","","2593.09","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H16 B11 Cl11 Si -","- C7 H16 B11 Cl11 Si -","- C28 H64 B44 Cl44 Si4 -","4","1","","C. Reed; Stephan P. Hoffmann; Tsuyoshi Kato; Fook S. Tham","Novel weak coordination to silylium ions. Formation of nearly linear Si-H-Si bonds.","Chemical Communications","2006","","","","","10.1039/b511344j","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100624","9.2823","0.0002","12.3891","0.0002","12.5827","0.0002","80.481","0.001","86.078","0.001","85.645","0.001","1420.66","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H20 B11 Cl11 Si2 -","- C7 H20 B11 Cl11 Si2 -","- C14 H40 B22 Cl22 Si4 -","2","1","","C. Reed; Stephan P. Hoffmann; Tsuyoshi Kato; Fook S. Tham","Novel weak coordination to silylium ions. Formation of nearly linear Si-H-Si bonds.","Chemical Communications","2006","","","","","10.1039/b511344j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100625","9.0547","0.0011","10.2933","0.0012","10.4106","0.0013","97.125","0.002","112.783","0.002","101.426","0.002","854.95","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H12 F5 N O2 S -","- C19 H12 F5 N O2 S -","- C38 H24 F10 N2 O4 S2 -","2","1","","Darren Johnson; Orion B. Berryman; Fraser Hol","Anion-pi Interaction Augments Halide Binding in Solution","Chemical Communications","2006","","","","","10.1039/b511570a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100626","10.863","0.004","16.807","0.006","21","0.007","74.118","0.006","83.011","0.006","89.974","0.006","3658","2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H47 Br F5 N2 O2.5 S -","- C35 H47 Br F5 N2 O2.5 S -","- C140 H188 Br4 F20 N8 O10 S4 -","4","2","","Darren Johnson; Orion B. Berryman; Fraser Hol","Anion-pi Interaction Augments Halide Binding in Solution","Chemical Communications","2006","","","","","10.1039/b511570a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100627","13.6274","0.0009","10.036","0.0007","28.5576","0.0019","90","","90","","90","","3905.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Co3 O10 -","- C16 H22 Co3 O10 -","- C128 H176 Co24 O80 -","8","1","","Yan-Zhen Zheng; Ming-Liang Tong; Wei-Xiong Zhang; Xiao-Ming Chen","An Organically Sandwiched Cobalt Hydroxide Possessing a Distorted Kagom/'e Lattice: Evidence for coexistence of Spin Frustration and Long range ordering","Chemical Communications","2006","","","","","10.1039/b511612k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100628","10.4572","0.0018","22.041","0.004","24.899","0.004","90","","95.87","0.003","90","","5708.8","1.7","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H91 N O11 -","- C63 H91 N O11 -","- C252 H364 N4 O44 -","4","1","","Gennady S. Ananchenko; Michaela Pojarova; Konstantin A. Udachin; Donald M. Leek; Antony W. Coleman; J.A. Ripmeester","Supramolecular stabilization of hydroxylamine TEMPOH by complexation with an amphiphilic calixarene","Chemical Communications","2006","","","","","10.1039/b511810g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180108","2020-10-21","18:00:00",""
"7100629","25.8821","0.0005","25.8821","0.0005","25.8821","0.0005","90","","90","","90","","17338","0.6","5","2","5","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Hydrogen-Loaded Zn4O(1,4-Benzenedicarboxylate)","","","- C24 H23.94 O13 Zn4 -","- C24 H23.88 O13 Zn4 -","- C192 H191.04 O104 Zn32 -","8","0.0416667","","Judith A. K. Howard; Garry J. McIntyre; Jesse L. C. Rowsell; Elinor Spencer; Omar Yaghi","Determination of the Hydrogen Absorption Sites in Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction","Chemical Communications","2006","","","","","10.1039/b511941c","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100630","25.8821","0.0005","25.8821","0.0005","25.8821","0.0005","90","","90","","90","","17338","0.6","30","2","30","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Hydrogen-Loaded Zn4O(1,4-Benzenedicarboxylate)","","","- C24 H20 O13 Zn4 -","- C24 H19.96 O13 Zn4 -","- C192 H159.68 O104 Zn32 -","8","0.0416667","","Judith A. K. Howard; Garry J. McIntyre; Jesse L. C. Rowsell; Elinor Spencer; Omar Yaghi","Determination of the Hydrogen Absorption Sites in Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction","Chemical Communications","2006","","","","","10.1039/b511941c","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100631","25.856","0.003","25.856","0.003","25.856","0.003","90","","90","","90","","17286","3","50","2","50","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Hydrogen-Loaded Zn4O(1,4-Benzenedicarboxylate)","","","- C24 H16 O13 Zn4 -","- C24 H16 O13 Zn4 -","- C192 H128 O104 Zn32 -","8","0.0416667","","Judith A. K. Howard; Garry J. McIntyre; Jesse L. C. Rowsell; Elinor Spencer; Omar Yaghi","Determination of the Hydrogen Absorption Sites in Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction","Chemical Communications","2006","","","","","10.1039/b511941c","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100632","25.856","0.003","25.856","0.003","25.856","0.003","90","","90","","90","","17286","3","120","2","120","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Hydrogen-Loaded Zn4O(1,4-Benzenedicarboxylate)","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Judith A. K. Howard; Garry J. McIntyre; Jesse L. C. Rowsell; Elinor Spencer; Omar Yaghi","Determination of the Hydrogen Absorption Sites in Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction","Chemical Communications","2006","","","","","10.1039/b511941c","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100633","25.8878","0.0004","25.8878","0.0004","25.8878","0.0004","90","","90","","90","","17349.4","0.5","150","2","150","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Hydrogen-Loaded Zn4O(1,4-Benzenedicarboxylate)","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Judith A. K. Howard; Garry J. McIntyre; Jesse L. C. Rowsell; Elinor Spencer; Omar Yaghi","Determination of the Hydrogen Absorption Sites in Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction","Chemical Communications","2006","","","","","10.1039/b511941c","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100634","25.8878","0.0004","25.8878","0.0004","25.8878","0.0004","90","","90","","90","","17349.4","0.5","300","2","300","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Hydrogen-Loaded Zn4O(1,4-Benzenedicarboxylate)","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Judith A. K. Howard; Garry J. McIntyre; Jesse L. C. Rowsell; Elinor Spencer; Omar Yaghi","Determination of the Hydrogen Absorption Sites in Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction","Chemical Communications","2006","","","","","10.1039/b511941c","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100635","21.3832","0.0018","14.9241","0.0013","24.177","0.002","90","","90","","90","","7715.5","1.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H39 B N6 O S2 Zn -","- C42 H39 B N6 O S2 Zn -","- C336 H312 B8 N48 O8 S16 Zn8 -","8","1","","P.J.Farmer; D.Brayton; S.M.Cohen; F.E.Jacobsen","A novel heterocyclic atom exchange reaction with Lawessons reagent: one-pot synthesis of dithiomaltol","Chemical Communications","2006","","","","","10.1039/b511966a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100636","9.705","0.001","7.66","0.001","7.818","0.001","90","","90","","90","","581.23","0.17","286","2","286","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Pyrrolidine-2S-carboxylic acid N'-(pyrrolidine-2S-carbonyl)- hydrazide","","","- C10 H18 N4 O2 -","- C10 H18 N4 O2 -","- C20 H36 N8 O4 -","2","0.5","","Jian Sun; Chuanling Cheng; Fan Jiang; Chao Wang; Siyu Wei; Yun-Dong Wu; Yu Zhang","Protonated N'-benzyl-N'-prolyl Proline Hydrazide as Highly Enantioselective Catalyst for Direct Asymmetric Aldol Reaction","Chemical Communications","2006","","","","","10.1039/b511992h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100637","11.0282","0.001","11.0282","0.001","18.9717","0.001","90","","90","","120","","1998.2","0.3","","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C58 Cr6 N2 O48 -","- C57.99 Cr6 N1.998 O48 -","- C57.99 Cr6 N1.998 O48 -","","","","Christian Serre; Gerard Ferey; Caroline Mellot-Draznieks; Franck Millange; Suzy Surble","An new isoreticular class of Metal-Organic-Frameworks with the MIL-88 topology","Chemical Communications","2006","","","","","10.1039/b512169h","","","","","","","","","","","","","","","","","","","","","has coordinates","208201","2020-10-21","18:00:00",""
"7100638","12.1647","0.001","12.1647","0.001","27.1971","0.001","90","","90","","120","","3485.4","0.4","","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C84 Cr6 N56 O50 -","- C84 Cr6 N56 O50 -","- C84 Cr6 N56 O50 -","","","","Christian Serre; Gerard Ferey; Caroline Mellot-Draznieks; Franck Millange; Suzy Surble","An new isoreticular class of Metal-Organic-Frameworks with the MIL-88 topology","Chemical Communications","2006","","","","","10.1039/b512169h","","","","","","","","","","","","","","","","","","","","","has coordinates","208201","2020-10-21","18:00:00",""
"7100639","10.1751","0.001","10.1751","0.001","23.7722","0.001","90","","90","","120","","2131.5","0.3","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- C90.4 Fe6 O46.4 -","- C90.402 Fe6 O46.396 -","- C90.402 Fe6 O46.396 -","","","","Christian Serre; Gerard Ferey; Caroline Mellot-Draznieks; Franck Millange; Suzy Surble","An new isoreticular class of Metal-Organic-Frameworks with the MIL-88 topology","Chemical Communications","2006","","","","","10.1039/b512169h","","","","","","","","","","","","","","","","","","","","","has coordinates","208201","2020-10-21","18:00:00",""
"7100640","22.269","0.004","3.8534","0.0007","26.754","0.005","90","","90","","90","","2295.8","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H10 O2 S -","- C15 H10 O2 S -","- C120 H80 O16 S8 -","8","2","","B.L. Tran; Seth M. Cohen","","Chemical Communications","2006","","","","","10.1039/b512185j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100641","13.6476","0.0017","9.8509","0.0012","17.256","0.002","90","","92.097","0.001","90","","2318.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Cu O4 S2 -","- C30 H18 Cu O4 S2 -","- C120 H72 Cu4 O16 S8 -","4","1","","B.L. Tran; Seth M. Cohen","","Chemical Communications","2006","","","","","10.1039/b512185j","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100642","9.6538","0.0005","10.6359","0.0006","13.9037","0.0008","92.079","0.001","98.582","0.001","105.648","0.001","1354.89","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H20 Cl2 O4 S2 Zn -","- C31 H20 Cl2 O4 S2 Zn -","- C62 H40 Cl4 O8 S4 Zn2 -","2","1","","B.L. Tran; Seth M. Cohen","","Chemical Communications","2006","","","","","10.1039/b512185j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100643","14.0289","0.0007","14.0289","0.0007","30.796","0.003","90","","90","","120","","5249","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H27 Co O6 S3 -","- C45 H27 Co O6 S3 -","- C270 H162 Co6 O36 S18 -","6","0.333333","","B.L. Tran; Seth M. Cohen","","Chemical Communications","2006","","","","","10.1039/b512185j","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100644","7.6947","0.0018","39.596","0.009","9.965","0.002","90","","112.643","0.003","90","","2801.9","1.1","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 Cl3 Ni O4 S2 -","- C31 H19 Cl3 Ni O4 S2 -","- C124 H76 Cl12 Ni4 O16 S8 -","4","1","","B.L. Tran; Seth M. Cohen","","Chemical Communications","2006","","","","","10.1039/b512185j","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100645","9.529","0.003","10.386","0.004","10.68","0.004","78.5","0.06","73.16","0.05","70.91","0.05","949.6","0.6","200","","","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H30 Fe2 N12 O S2 -","- C39 H26 Fe2 N12 O S2 -","- C39 H26 Fe2 N12 O S2 -","1","0.5","","Satoshi Kawata; Keiichi Adachi; Akira Fuyuhiro; Shinya Hayami; Sumio Kaizaki; Motomi Katada; Yonezo Maeda; Ko Yoneda","A Steep Single [HS-HS] to [LS-LS] Spin Transition in a 4,4'-Bipyridine Linked One-Dimensional Coordination Polymer Constructed from a Pyrazolato Bridged Fe(II) Dimer","Chemical Communications","2006","","","","","10.1039/b512266j","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100646","9.2371","0.0009","10.273","0.002","10.2499","0.001","78.43","0.04","73.91","0.04","71.16","0.04","877.9","0.3","150","","","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H30 Fe2 N12 O S2 -","- C39 H26 Fe2 N12 O S2 -","- C39 H26 Fe2 N12 O S2 -","1","0.5","","","","Chemical Communications","2006","","","","","10.1039/b512266j","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100647","7.253","0.001","7.981","0.0007","10.705","0.0009","106.198","0.007","104.883","0.009","97.193","0.009","562.02","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C24 H26 N2 O6 -","2","1","","Irishi N. N. Namboothiri; Mamta Dadwal; Renu Mohan; Dulal Panda; Shaik M. Mobin","The Morita-Baylis-Hillman adducts of conjugated nitroalkenes with other activated alkenes: synthesis and anticancer activity studies","Chemical Communications","2006","","","","","10.1039/b512267h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100648","8.9148","0.0014","12.209","0.002","18.562","0.003","96.563","0.01","91.913","0.01","110.86","0.009","1869.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H7 F24 Mn2 N4 O8 S2 -","- C25 H7 F24 Mn2 N4 O8 S2 -","- C50 H14 F48 Mn4 N8 O16 S4 -","2","1","","Kathryn Preuss; Michael C. Jennings; Jian Wu.","Synthesis and Magnetic Properties of a 4-(2'-Pyrimidyl)-1,2,3,5-Dithiadiazolyl Dimanganese Complex","Chemical Communications","2006","","","","","10.1039/b512312g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100649","7.1561","0.0004","10.6746","0.0005","10.1407","0.0007","90","","116.994","0.003","90","","690.24","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(2'-pyrimidyl)-1,2,3,5-dithiadiazolyl","","","- C5 H3 N4 S2 -","- C5 H3 N4 S2 -","- C20 H12 N16 S8 -","4","1","","Kathryn Preuss; Michael C. Jennings; Jian Wu.","Synthesis and Magnetic Properties of a 4-(2'-Pyrimidyl)-1,2,3,5-Dithiadiazolyl Dimanganese Complex","Chemical Communications","2006","","","","","10.1039/b512312g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180108","2020-10-21","18:00:00",""
"7100650","13.785","0.006","27.191","0.013","20.552","0.01","90","","104.947","0.007","90","","7443","6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C96 H132 B40 Ir4 N8 O2 S8 Zn -","- C96 H132 B40 Ir4 N8 O2 S8 Zn -","- C192 H264 B80 Ir8 N16 O4 S16 Zn2 -","2","0.5","","Guo-Xin Jin; Chun-Xia Ren; Jian-Qiang Wang; Lin-Hong Weng","Pophyrin-carborane organometallic assemblies based on 1, 2-dicarba-closo-dodecaborane (12) ligands","Chemical Communications","2006","","","","","10.1039/b512416f","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100651","13.822","0.005","27.187","0.009","20.635","0.007","90","","105.145","0.005","90","","7485","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C96 H132 B40 Cu Ir4 N8 O2 S8 -","- C96 H132 B40 Cu Ir4 N8 O2 S8 -","- C192 H264 B80 Cu2 Ir8 N16 O4 S16 -","2","0.5","","Guo-Xin Jin; Chun-Xia Ren; Jian-Qiang Wang; Lin-Hong Weng","Pophyrin-carborane organometallic assemblies based on 1, 2-dicarba-closo-dodecaborane (12) ligands","Chemical Communications","2006","","","","","10.1039/b512416f","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100652","24.852","0.008","13.702","0.005","15.216","0.005","90","","103.958","0.005","90","","5029","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H79 B20 Cl15 Ir2 N8 S4 Zn -","- C69 H79 B20 Cl15 Ir2 N8 S4 Zn -","- C138 H158 B40 Cl30 Ir4 N16 S8 Zn2 -","2","0.5","","Guo-Xin Jin; Chun-Xia Ren; Jian-Qiang Wang; Lin-Hong Weng","Pophyrin-carborane organometallic assemblies based on 1, 2-dicarba-closo-dodecaborane (12) ligands","Chemical Communications","2006","","","","","10.1039/b512416f","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100653","8.5686","0.0018","10.1532","0.0018","10.9605","0.0018","88.276","0.015","84.002","0.016","68.053","0.015","879.6","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 Cu3 N10 Zn -","- C10 H16 Cu3 N10 Zn -","- C20 H32 Cu6 N20 Zn2 -","2","1","","Daniel Leznoff; Pedro M. Aguiar; Raymond J. Batchelor; Scott Kroeker; Liang Ouyang.","A Paramagnetic Cu(I)/Cu(II)/Zn(II) Coordination Polymer with Multiple CN-Binding Modes and its Solid-State NMR Characterization","Chemical Communications","2006","","","","","10.1039/b512430a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100654","11.817","0.005","15.359","0.006","15.504","0.006","73.82","0.02","75.54","0.02","64.453","0.018","2410.9","1.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H54 N8 Ni O2 -","- C58 H54 N8 Ni O2 -","- C116 H108 N16 Ni2 O4 -","2","1","","Nagao Kobayashi; Takamitsu Fukuda; Yusuke Ogi","Skeletal Modification of a Non-Planar Phthalocyanine Analogue under Very Mild Conditions","Chemical Communications","2006","","","","","10.1039/b512442e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100655","17.343","0.004","11.672","0.002","16.835","0.003","90","","91.95","0.03","90","","3405.8","1.2","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","trimethoprim succinate","","","- C16 H21 N4 O5 -","- C16 H21 N4 O5 -","- C128 H168 N32 O40 -","8","1","","W. Jones; Delia A. Haynes; W. Motherwell; Andrew Trask","Screening for Crystalline Salts via Mechanochemistry","Chemical Communications","2006","","","","","10.1039/b512626f","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100656","15.992","0.003","16.08","0.003","16.515","0.003","63.82","0.03","70.97","0.03","66.47","0.03","3435.8","1.2","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H94 B2 N8 Ni2 S2 -","- C66 H94 B2 N8 Ni2 S2 -","- C132 H188 B4 N16 Ni4 S4 -","2","1","","Berthold Kersting; Julia Hausmann; Yves Journaux; Vasile Lozan","Stabilisation of a paramagnetic dinickel borohydride complex by a macrodinucleating hexaaza-dithiophenolate ligand macrocycles","Chemical Communications","2006","","","","","10.1039/b512744k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100657","18.452","0.004","34.531","0.007","18.452","0.004","90","","92.22","0.03","90","","11748","4","210","2","210","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H85 B N6 Ni2 O2 S2 -","- C63 H85 B N6 Ni2 O2 S2 -","- C504 H680 B8 N48 Ni16 O16 S16 -","8","2","","Berthold Kersting; Julia Hausmann; Yves Journaux; Vasile Lozan","Stabilisation of a paramagnetic dinickel borohydride complex by a macrodinucleating hexaaza-dithiophenolate ligand macrocycles","Chemical Communications","2006","","","","","10.1039/b512744k","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100658","9.5123","0.0003","18.0026","0.0006","16.994","0.0007","90","","90","","90","","2910.16","0.18","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H40 O2 Si2 W -","- C30 H39 O2 Si2 W -","- C120 H156 O8 Si8 W4 -","4","1","","Rockshana Begum; Takashi Komuro; Hiromi Tobita","Group 6 metal xantsil complexes with a labile oxygen coordination and insertion of tBuCN into a W-Si bond [xantsil = (9,9-dimethylxantene- 4,5-diyl)bis(dimethylsilyl)]","Chemical Communications","2006","","","","","10.1039/b512759a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100659","11.3139","0.0005","14.837","0.0005","20.5961","0.0007","90","","90","","90","","3457.4","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 N O2 Si2 W -","- C35 H48 N O2 Si2 W -","- C140 H192 N4 O8 Si8 W4 -","4","1","","Rockshana Begum; Takashi Komuro; Hiromi Tobita","Group 6 metal xantsil complexes with a labile oxygen coordination and insertion of tBuCN into a W-Si bond [xantsil = (9,9-dimethylxantene- 4,5-diyl)bis(dimethylsilyl)]","Chemical Communications","2006","","","","","10.1039/b512759a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100660","9.55","0.001","14.096","0.002","16.484","0.002","89.293","0.005","78.318","0.004","88.874","0.004","2172.6","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H42 Ag Cl6 F6 N8 P -","- C33 H42 Ag Cl6 F6 N8 P -","- C66 H84 Ag2 Cl12 F12 N16 P2 -","2","1","","","","Chemical Communications","2006","","","","","10.1039/b512884f","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100661","8.273","0.002","12.672","0.003","13.085","0.003","83.42","0.03","83.12","0.03","82.76","0.03","1344.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H37 Cl N4 Rh -","- C27 H37 Cl N4 Rh -","- C54 H74 Cl2 N8 Rh2 -","2","1","","","","Chemical Communications","2006","","","","","10.1039/b512884f","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100662","6.2583","0.0007","7.3007","0.0008","16.5882","0.0016","90","","98.717","0.003","90","","749.16","0.14","118","2","118","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O5 -","- C16 H17 N2 O5 -","- C32 H34 N4 O10 -","2","1","","Evans, P. Andrew; Lai, Kwong Wah; Zhang, Hai-Ren; Huffman, John C.","Regioselective and enantiospecific rhodium-catalyzed allylic amination with thymine: synthesis of a new conformationally rigid nucleoside","Chemical Communications","2006","","","","","10.1039/b513083b","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100663","15.418","0.0003","34.415","0.0006","17.012","0.0004","90","","116.362","0.0008","90","","8088","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H72 F12 Fe N6 O6 P2 -","- C96 H72 F12 Fe N6 O6 P2 -","- C384 H288 F48 Fe4 N24 O24 P8 -","4","1","","J. Sauvage; Fabien Durola; Oliver S. Wenger","Sterically non Hindering Endocyclic Ligands of the Bi-isoquinoline Family","Chemical Communications","2006","","","","","10.1039/b513222c","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100664","5.9382","0.0004","6.7703","0.0007","15.524","0.002","97.127","0.004","92.392","0.006","99.132","0.006","610.22","0.1","298","","298","","","","","","","","","4","P 1","P 1","1","","","","- C20 H39 N5 O7 -","- C20 H39 N5 O7 -","- C20 H39 N5 O7 -","1","1","","Per Arvidsson; Palangpon Kongsaeree; Samran Prabpai; Suode Zhang","poly-N-Methylated ?-Peptides: Synthesis and X-Ray Structure Determination of ?-Strand Forming Foldamers","Chemical Communications","2006","","","","","10.1039/b513277k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100665","5.9757","0.0003","9.996","0.0008","13.5831","0.001","98.898","0.003","93.638","0.004","102.759","0.004","777.78","0.09","298","","","","","","","","","","","4","P 1","P 1","1","","","","- C24 H50 N6 O10 -","- C24 H50 N6 O10 -","- C24 H50 N6 O10 -","1","1","","","","Chemical Communications","2006","","","","","10.1039/b513277k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100666","6.1923","0.0002","18.823","0.0008","38.868","0.002","90","","90","","90","","4530.4","0.3","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H64 N6 O9 -","- C42 H64 N6 O9 -","- C168 H256 N24 O36 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b513277k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100667","31.9316","0.0005","24.7082","0.0006","24.0157","0.0005","90","","130.204","0.0008","90","","14471.3","0.5","103","2","103","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C134 H184 Cl2.4 P2 Pd3 S6 Si12 -","- C134 H184 Cl2.4 P2 Pd3 S6 Si12 -","- C536 H736 Cl9.6 P8 Pd12 S24 Si48 -","4","0.5","","Norihiro Tokitoh; Daisuke Shimizu; Nobuhiro Takeda","Unusual Carbon-Sulfur Bond Cleavage in the Reaction of a New Type of Bulky Hexathioether with a Zerovalent Palladium Complex","Chemical Communications","2006","","","","","10.1039/b513339d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100668","10.92","0.002","20.424","0.005","23.068","0.005","71.29","0.007","83.335","0.01","83.675","0.011","4825.5","1.8","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C81.5 H142 Cl S6 Si12 -","- C81.5 H142 Cl S6 Si12 -","- C163 H284 Cl2 S12 Si24 -","2","1","","Norihiro Tokitoh; Daisuke Shimizu; Nobuhiro Takeda","Unusual Carbon-Sulfur Bond Cleavage in the Reaction of a New Type of Bulky Hexathioether with a Zerovalent Palladium Complex","Chemical Communications","2006","","","","","10.1039/b513339d","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100669","11.592","0.002","14.568","0.003","16.342","0.003","90","","90","","90","","2759.7","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","","Shengming Ma.; Youqian Deng.; Zhenhua Gu.","From Allene to Allene: A Palladium-Catalyzed Approach to b-Allenyl Butenolides and Their Application to the Synthesis of Polysubstituted Benzene Derivatives","Chemical Communications","2006","","","","","10.1039/b513371h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100670","10.0344","0.0017","13.21","0.002","18.172","0.003","90","","99.356","0.004","90","","2376.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 O6 -","- C26 H30 O6 -","- C104 H120 O24 -","4","1","","Shengming Ma.; Youqian Deng.; Zhenhua Gu.","From Allene to Allene: A Palladium-Catalyzed Approach to b-Allenyl Butenolides and Their Application to the Synthesis of Polysubstituted Benzene Derivatives","Chemical Communications","2006","","","","","10.1039/b513371h","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100671","11.4487","0.0009","16.1126","0.0013","21.3687","0.0018","90","","100.327","0.001","90","","3878","0.5","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H34 Pb -","- C52 H34 Pb -","- C208 H136 Pb4 -","4","1","","G.Robinson; Brandon Quillian; Yuzhong Wang.; Pingrong Wei.; Xiao-Juan Yang.","Syntheses and structures of new diaryl lead(II) compounds PbR2 (1, R = 2,4,6-triphenylphenyl; 2, R = 2,6-bis(1'-napthyl)phenyl","Chemical Communications","2006","","","","","10.1039/b513401c","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100672","7.4749","0.0008","10.0849","0.0012","7.5465","0.0007","90","","124.423","0.006","90","","469.26","0.09","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Maleic Acid","","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","1","","W. Jones; Graeme Day; W.D.Sam Motherwell; Andrew V. Trask","Investigating the latent polymorphism of maleic acid","Chemical Communications","2006","","","","","10.1039/b513442k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100673","3.6933","0.0003","7.484","0.0005","8.5933","0.0007","90","","102.22","0.003","90","","232.14","0.03","180","2","180","2","","","","","","","","3","P 1 c 1","P -2yc","7","Maleic Acid","","","- C4 H4 O4 -","- C4 H4 O4 -","- C8 H8 O8 -","2","1","","W. Jones; Graeme Day; W.D.Sam Motherwell; Andrew V. Trask","Investigating the latent polymorphism of maleic acid","Chemical Communications","2006","","","","","10.1039/b513442k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100674","17.5472","0.0014","18.0516","0.0015","35.56","0.003","90","","90","","90","","11263.9","1.6","150","2","150","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C6 H13.4 Al4 N2 O20.2 P5 -","- Al4 O20.7 P5 -","- Al64 O331.2 P80 -","16","1","","Parnham, Emily R.; Wheatley, Paul S.; Morris, Russell E.","The ionothermal synthesis of SIZ-6 ‒ a layered aluminophosphate","Chemical Communications","2006","","4","380","382","10.1039/b513458g","","","","","","","","","","","","","","","","","","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7100675","18.9559","0.0018","13.5701","0.0013","21.425","0.002","90","","98.424","0.002","90","","5451.7","0.9","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C76 F40 -","- C76 F40 -","- C304 F160 -","4","1","","Ivan E. Kareev; Igor V. Kuvychko; Sergey F. Lebedkin; Susie M. Miller; Oren P. Anderson; Steven H. Strauss; Olga V. Boltalina","Synthesis and Structures of Poly(perfluoroethyl)[60]fullerenes: 1,7,16,36,46,49-C60(C2F5)6 and 1,6,11,18,24,27,32,35-C60(C2F5)8","Chemical Communications","2006","","","","","10.1039/b513477c","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100676","9.8807","0.0008","14.6719","0.0013","16.5397","0.0014","89.944","0.002","84.994","0.002","75.915","0.002","2316.3","0.3","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C72 F30 -","- C72 F30 -","- C144 F60 -","2","1","","Ivan E. Kareev; Igor V. Kuvychko; Sergey F. Lebedkin; Susie M. Miller; Oren P. Anderson; Steven H. Strauss; Olga V. Boltalina","Synthesis and Structures of Poly(perfluoroethyl)[60]fullerenes: 1,7,16,36,46,49-C60(C2F5)6 and 1,6,11,18,24,27,32,35-C60(C2F5)8","Chemical Communications","2006","","","","","10.1039/b513477c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100677","21.271","0.003","11.375","0.002","26.372","0.004","90","","104.908","0.002","90","","6166.1","1.7","153","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H69 Na O31 P S4 Yb -","- C52 H69 Na O31 P S4 Yb -","- C208 H276 Na4 O124 P4 S16 Yb4 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b513543e","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100678","7.1098","0.0004","38.923","0.002","7.1463","0.0004","90","","93.354","0.001","90","","1974.2","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium 4-methoxyphenyl sulfate","","","- C7 H7 K O5 S -","- C7 H7 K O5 S -","- C56 H56 K8 O40 S8 -","8","2","","Spencer Williams; Emma Denehy; Jonathan M. White","Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer","Chemical Communications","2006","","","","","10.1039/b513712h","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100679","4.9816","0.0004","7.0344","0.0005","25.1874","0.0018","90","","90","","90","","882.63","0.11","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-methoxyphenyl sulfamate","","","- C7 H9 N O4 S -","- C7 H9 N O4 S -","- C28 H36 N4 O16 S4 -","4","1","","Spencer Williams; Emma Denehy; Jonathan M. White","Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer","Chemical Communications","2006","","","","","10.1039/b513712h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100680","6.7995","0.0005","6.9857","0.0005","12.1695","0.0009","89.062","0.001","81.383","0.001","79.648","0.001","562.18","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","potassium 4-acetamidophenyl sulfate","","","- C8 H10 K N O6 S -","- C8 H10 K N O6 S -","- C16 H20 K2 N2 O12 S2 -","2","1","","Spencer Williams; Emma Denehy; Jonathan M. White","Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer","Chemical Communications","2006","","","","","10.1039/b513712h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100681","6.9153","0.0004","13.1212","0.0007","18.9869","0.001","90","","90","","90","","1722.82","0.16","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","potassium 4-nitrophenyl sulfate","","","- C6 H4 K N O6 S -","- C6 H4 K N O6 S -","- C48 H32 K8 N8 O48 S8 -","8","1","","Spencer Williams; Emma Denehy; Jonathan M. White","Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer","Chemical Communications","2006","","","","","10.1039/b513712h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100682","11.862","0.003","7.0333","0.0016","9.15","0.002","90","","107.962","0.004","90","","726.1","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","potassium 2,2,2-trifluoroethyl sulfate","","","- C2 H2 F3 K O4 S -","- C2 H2 F3 K O4 S -","- C8 H8 F12 K4 O16 S4 -","4","1","","Spencer Williams; Emma Denehy; Jonathan M. White","Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer","Chemical Communications","2006","","","","","10.1039/b513712h","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100683","9.1599","0.0013","6.9471","0.001","7.3311","0.001","90","","93.147","0.002","90","","465.81","0.11","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium methyl sulfate","","","- C H3 K O4 S -","- C H3 K O4 S -","- C4 H12 K4 O16 S4 -","4","1","","Spencer Williams; Emma Denehy; Jonathan M. White","Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer","Chemical Communications","2006","","","","","10.1039/b513712h","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100684","9.9687","0.001","6.9592","0.0007","12.2538","0.0012","90","","98.383","0.002","90","","841.01","0.15","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-nitrophenyl sulfamate","","","- C6 H6 N2 O5 S -","- C6 H6 N2 O5 S -","- C24 H24 N8 O20 S4 -","4","1","","Spencer Williams; Emma Denehy; Jonathan M. White","Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer","Chemical Communications","2006","","","","","10.1039/b513712h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100685","10.8417","0.0013","8.2431","0.001","10.2599","0.0013","90","","116.41","0.002","90","","821.22","0.17","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-nitrophenyl sulfamate","","","- C6 H6 N2 O5 S -","- C6 H6 N2 O5 S -","- C24 H24 N8 O20 S4 -","4","1","","Spencer Williams; Emma Denehy; Jonathan M. White","Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer","Chemical Communications","2006","","","","","10.1039/b513712h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100686","22.457","0.006","8.135","0.002","4.7648","0.0012","90","","90","","90","","870.5","0.4","130","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","4-iodophenyl sulfamate","","","- C6 H6 I N O3 S -","- C6 H6 I N O3 S -","- C24 H24 I4 N4 O12 S4 -","4","1","","Spencer Williams; Emma Denehy; Jonathan M. White","Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer","Chemical Communications","2006","","","","","10.1039/b513712h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100687","14.4548","0.0006","15.447","0.0009","23.9059","0.0008","90.538","0.005","104.774","0.003","117.284","0.004","4537.3","0.4","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H102 Cl3 Cu13 N12 O12 S8 -","- C66 H102 Cl3 Cu13 N12 O12 S8 -","- C132 H204 Cl6 Cu26 N24 O24 S16 -","2","1","","Kenneth Karlin; Yunho Lee; Amy A. Narducci Sarjeant","A molecular pinwheel multicopper(I) cluster, [(LS-)6CuI13(S2-)2]3+ with u4-sulfido, u3-thiolato and (terminal) nitrogen ligands","Chemical Communications","2006","","","","","10.1039/b513768c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100688","25.131","0.003","12.5908","0.0013","16.6161","0.0018","90","","91.327","0.002","90","","5256.2","1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CuTUP nitrate","","","- C52 H56 Cu N14 O12 -","- C52 H56 Cu N14 O12 -","- C208 H224 Cu4 N56 O48 -","4","0.5","","Jonathan Steed; J. Howard; Andrew D.M. Parker; Ivana Radosavljevic-Evans; J.M. Russell","Simultaneous anion and cation binding by a simple polymer-bound ureidopyridyl ligand","Chemical Communications","2006","","","","","10.1039/b513820e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180108","2020-10-21","18:00:00",""
"7100689","8.9158","0.0006","12.7512","0.0009","13.6583","0.0009","71.658","0.001","75.993","0.001","73.708","0.001","1394.41","0.16","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H64 Co N14 O14 -","- C54 H60 Co N14 O14 -","- C54 H60 Co N14 O14 -","1","0.5","","Jonathan Steed; J. Howard; Andrew D.M. Parker; Ivana Radosavljevic-Evans; J.M.Russell","Simultaneous anion and cation binding by a simple polymer-bound ureidopyridyl ligand","Chemical Communications","2006","","","","","10.1039/b513820e","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100690","8.8731","0.0012","12.7159","0.0018","13.7082","0.0019","71.814","0.003","76.228","0.003","74.062","0.003","1393.2","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H64 N14 Ni O14 -","- C54 H60 N14 Ni O14 -","- C54 H60 N14 Ni O14 -","1","0.5","","Jonathan Steed; J. Howard; Andrew D.M. Parker; Ivana Radosavljevic-Evans; J.M.Russell","Simultaneous anion and cation binding by a simple polymer-bound ureidopyridyl ligand","Chemical Communications","2006","","","","","10.1039/b513820e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100691","12.49","0.005","12.82","0.005","13.993","0.006","71.643","0.006","72.24","0.007","82.39","0.008","2023.5","1.4","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 F12 N6 O8 S4 -","- C32 H32 F12 N6 O8 S4 -","- C64 H64 F24 N12 O16 S8 -","2","1","","","","Chemical Communications","2006","","","","","10.1039/b513893k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100692","16.815","0.003","10.182","0.002","20.772","0.004","90","","99.93","0.03","90","","3503.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H41 B N2 O2 -","- C43 H41 B N2 O2 -","- C172 H164 B4 N8 O8 -","4","1","","Yue Wang; Cheng Huo; Wenjing Tian; Hongyu Zhang; Jingying Zhang; Peng Zhang","Efficient Single-layer Electroluminescent Device Based on a Bipolar Emitting Boron-containing Material","Chemical Communications","2006","","","","","10.1039/b513918j","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100693","9.7645","0.0001","19.8365","0.0002","22.0587","0.0002","68.4657","0.0006","80.3541","0.0006","89.0879","0.0006","3913.36","0.07","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C146 H178 Cl18 N8 Ni2 P2 Pt -","- C146 H178 Cl18 N8 Ni2 P2 Pt -","- C146 H178 Cl18 N8 Ni2 P2 Pt -","1","0.5","","Chen-Yu Yeh; Yi-Jen Chen; Szu-Shuo Chen; Shang-Shih Lo","Porphyrin Dimers Bridged by a Platinum-diacetylide Unit","Chemical Communications","2006","","","","","10.1039/b513921j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100694","13.8674","0.0002","14.9588","0.0002","16.0677","0.0002","85.243","0.0008","87.9895","0.0009","68.935","0.0009","3099.58","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C134 H162 Cl4 N8 O4 Zn2 -","- C134 H162 Cl4 N8 O4 Zn2 -","- C134 H162 Cl4 N8 O4 Zn2 -","1","0.5","","Chen-Yu Yeh; Yi-Jen Chen; Szu-Shuo Chen; Shang-Shih Lo","Porphyrin Dimers Bridged by a Platinum-diacetylide Unit","Chemical Communications","2006","","","","","10.1039/b513921j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100695","7","0.001","4.8894","0.0006","15.815","0.003","90","","94.88","0.02","90","","539.32","0.14","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H3 O2 S -","- C6 H3 O2 S -","- C24 H12 O8 S4 -","4","1","","Philippe Leriche; Philippe Blanchard; Pierre Frere; Eric Levillain; Gilles Mabon; J. Roncali","3,4-Vinylenedioxythiophene (VDOT): a new building block for thiophene-based pi-conjugated systems","Chemical Communications","2006","","","","","10.1039/b513923f","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100696","20.1923","0.0007","17.1332","0.0006","9.1763","0.0003","90","","90","","90","","3174.62","0.19","150","","150","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C27 H42 Cl3 N5 O Si Zr -","- C27 H42 Cl3 N5 O Si Zr -","- C108 H168 Cl12 N20 O4 Si4 Zr4 -","4","0.5","","Philip Mountford; Andrew R. Cowley; Robert G. Howe; Sally C. Lawrence; Suparabhorn Subongkoj; Cara S. Tredget","A Novel Transformation of a Zirconium Imido Compound and the Development of a New Class of N3 Donor Heteroscorpionate Ligand","Chemical Communications","2006","","","","","10.1039/b513927a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100697","10.4827","0.0002","10.9399","0.0003","14.6107","0.0004","82.0937","0.001","89.6905","0.0011","72.2736","0.0012","1579.64","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H50 N5 Sc Si3 -","- C24 H50 N5 Sc Si3 -","- C48 H100 N10 Sc2 Si6 -","2","1","","","","Chemical Communications","2006","","","","","10.1039/b513927a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100698","12.6899","0.0013","18.2468","0.0018","18.7138","0.0018","68.885","0.001","88.916","0.002","71.552","0.001","3812.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[HB(3-(Mes)Pz)3]CuCl.CH2Cl2","","","- C38 H44 B Cl3 Cu N6 -","- C38 H44 B Cl3 Cu N6 -","- C152 H176 B4 Cl12 Cu4 N24 -","4","2","","","","Chemical Communications","2006","","","","","10.1039/b513938d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100699","26.3093","0.0014","26.2548","0.0013","36.3513","0.0018","90","","108.828","0.002","90","","23766","2","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C230 H311 B4 Cl4 Cr2 N33 Ni7 O7 -","- C230 H311 B4 Cl4 Cr2 N33 Ni7 O7 -","- C920 H1244 B16 Cl16 Cr8 N132 Ni28 O28 -","4","1","","Talal Mallah; Laure Catala; Regis Guillot; Jean-Noel Rebilly; Eric Riviere; W. Wernsdorfer","One Step Assembly of a Nonanuclear CrIII2NiII7 Bimetallic Cyanide Bridged Complex","Chemical Communications","2006","","","","","10.1039/b514053f","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100700","21.3","0.004","5.7697","0.0012","16.796","0.003","90","","114.68","0.03","90","","1875.5","0.7","292","2","292","2","","","","","","","","4","C 1 c 1","C -2yc","9","2,3,4,5,6-pentafluorophenol","","","- C6 H F5 O -","- C6 H F5 O -","- C72 H12 F60 O12 -","12","3","","Gautam Desiraju; Rahul Banerjee; Roland Boese; Dinabandhu Das; Judith A. K. Howard; Raju Mondal","Synthon evolution and unit cell evolution during crystallisation. A study of symmetry-independent molecules (Z?>1) in crystals of some hydroxy compounds","Chemical Communications","2006","","","","","10.1039/b514076e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100701","13.073","0.003","4.9295","0.001","10.163","0.002","90","","107.31","0.03","90","","625.2","0.2","269","2","269","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pentafluorophenol","","","- C6 H F5 O -","- C6 H F5 O -","- C24 H4 F20 O4 -","4","1","","Gautam Desiraju; Rahul Banerjee; Roland Boese; Dinabandhu Das; Judith A. K. Howard; Raju Mondal","Synthon evolution and unit cell evolution during crystallisation. A study of symmetry-independent molecules (Z?>1) in crystals of some hydroxy compounds","Chemical Communications","2006","","","","","10.1039/b514076e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100702","17.6377","0.0008","18.8315","0.0009","23.3591","0.0011","78.402","0.002","88.367","0.002","67.611","0.002","7017.4","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","trans -1,4-bis(phenylethynyl) cyclohexane -1,4-diol","","","- C22 H20 O2 -","- C22 H20 O2 -","- C352 H320 O32 -","16","8","","Gautam Desiraju; Rahul Banerjee; Roland Boese; Dinabandhu Das; Judith A. K. Howard; Raju Mondal","Synthon evolution and unit cell evolution during crystallisation. A study of symmetry-independent molecules (Z?>1) in crystals of some hydroxy compounds","Chemical Communications","2006","","","","","10.1039/b514076e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100703","9.494","0.0003","14.0677","0.0005","14.4606","0.0005","95.625","0.002","106.478","0.001","104.627","0.002","1761.8","0.1","120","2","120","2","","","","","","","","3","P -1","-P 1","2","trans -1,4-bis(phenylethynyl) cyclohexane -1,4-diol","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","2","","Gautam Desiraju; Rahul Banerjee; Roland Boese; Dinabandhu Das; Judith A. K. Howard; Raju Mondal","Synthon evolution and unit cell evolution during crystallisation. A study of symmetry-independent molecules (Z?>1) in crystals of some hydroxy compounds","Chemical Communications","2006","","","","","10.1039/b514076e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100704","17.6377","0.0008","18.8315","0.0009","23.3591","0.0011","78.402","0.002","88.367","0.002","67.611","0.002","7017.4","0.6","20","2","20","2","","","","","","","","3","P -1","-P 1","2","trans -1,4-bis(phenylethynyl) cyclohexane -1,4-diol","","","- C22 H20 O2 -","- C22 H20 O2 -","- C352 H320 O32 -","16","8","","Gautam Desiraju; Rahul Banerjee; Roland Boese; Dinabandhu Das; Judith A. K. Howard; Raju Mondal","Synthon evolution and unit cell evolution during crystallisation. A study of symmetry-independent molecules (Z?>1) in crystals of some hydroxy compounds","Chemical Communications","2006","","","","","10.1039/b514076e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100705","22.032","0.004","13.538","0.002","16.99","0.003","90","","100.96","0.01","90","","4975.2","1.5","298","1","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H56 Cl4 Cu4 N12 O22 -","- C28 H52 Cl4 Cu4 N12 O22 -","- C112 H208 Cl16 Cu16 N48 O88 -","4","0.5","","Debashis Ray; Guillem Aromi; Manindranath Bera; Wing-tak Wong","Structure and Properties of a New Double-Stranded [CuII2]2 Cluster Helicate","Chemical Communications","2006","","","","","10.1039/b514126e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100706","11.778","0.0007","21.7067","0.001","19.7688","0.0015","90","","92.381","0.006","90","","5049.8","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H67 La N4 P2 Si6 -","- C39 H67 La N4 P2 Si6 -","- C156 H268 La4 N16 P8 Si24 -","4","1","","Peter Roesky; Marcus Rastatter; Agustino Zulys","A Bis(phosphinimino)methanide Lanthanum Amide as Catalyst for the Hydroamination / Cyclisation, Hydrosilylation and Sequential Hydroamination / Hydrosilylation Catalysis.","Chemical Communications","2006","","","","","10.1039/b514242c","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100707","7.9659","0.0008","4.918","0.0006","11.6355","0.0012","90","","95.851","0.007","90","","453.46","0.09","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Al H6 O12 P3 -","- Al H6 O12 P3 -","- Al2 H12 O24 P6 -","2","0.5","","Adrian Wright; Neal J. Checker; John Godber; Benson M. Kariuki; Steven Rishi","Synthesis and crystal structure of AlH2P3O10 2H2O; a new structure-type for layered acid phosphates.","Chemical Communications","2006","","","","","10.1039/b514246f","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100708","10.7622","0.0014","19.773","0.003","11.7983","0.0015","90","","90.39","0.015","90","","2510.7","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 Fe2 N O4 P2 S2 -","- C19 H29 Fe2 N O4 P2 S2 -","- C76 H116 Fe8 N4 O16 P8 S8 -","4","1","","Sascha Ott; Gerriet Eilers; Lars Eriksson; Adolf Gogoll; Reiner Lomoth; Lennart Schwartz","Iron Hydrogenase Active Site Mimic Holding a Proton and a Hydride","Chemical Communications","2006","","","","","10.1039/b514280f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100709","22.5","0.004","7.6642","0.0009","23.869","0.004","90","","114.74","0.02","90","","3738.3","1.1","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C15 H11 Fe2 N O6 S2 -","- C15 H11 Fe2 N O6 S2 -","- C120 H88 Fe16 N8 O48 S16 -","8","1","","Sascha Ott; Gerriet Eilers; Lars Eriksson; Adolf Gogoll; Reiner Lomoth; Lennart Schwartz","Iron Hydrogenase Active Site Mimic Holding a Proton and a Hydride","Chemical Communications","2006","","","","","10.1039/b514280f","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100710","14.945","0.003","16.865","0.003","18.374","0.004","72.77","0.03","88.65","0.03","79.01","0.03","4339.6","1.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H120 Eu2 O12 P4 -","- C70 H120 Eu2 O12 P4 -","- C140 H240 Eu4 O24 P8 -","2","1","","Leslie D. Field; Glen Berenger Deacon; Cameron Jones; Peter Junk; Danielle L. Kay; Anthony F. Masters; A.F. Richards","Dinuclear alkynyllanthanoid(II) dications with tri-tert-butyldiphospha-cyclopentadienyl or pentaphenylcyclopentadienyl counter ions.","Chemical Communications","2006","","","","","10.1039/b514358f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100711","12.4427","0.0002","13.1004","0.0001","13.3179","0.0002","116.42","0.01","99.74","0.01","102.07","0.01","1814","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","ybph51","","","- C94 H76 O2 Yb2 -","- C94 H76 O2 Yb2 -","- C94 H76 O2 Yb2 -","1","0.5","","Leslie D. Field; Glen Berenger Deacon; Cameron Jones; Peter Junk; Danielle L. Kay; Anthony F. Masters; A.F. Richards","Dinuclear alkynyllanthanoid(II) dications with tri-tert-butyldiphospha-cyclopentadienyl or pentaphenylcyclopentadienyl counter ions.","Chemical Communications","2006","","","","","10.1039/b514358f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100712","25.9306","0.0002","22.206","0.0002","20.6683","0.0001","90","","111.412","0.0003","90","","11080","4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C130 H152 O14 Yb2 -","- C130 H152 O14 Yb2 -","- C520 H608 O56 Yb8 -","4","1","","Leslie D. Field; Glen Berenger Deacon; Cameron Jones; Peter Junk; Danielle L. Kay; Anthony F. Masters; A.F. Richards","Dinuclear alkynyllanthanoid(II) dications with tri-tert-butyldiphospha-cyclopentadienyl or pentaphenylcyclopentadienyl counter ions.","Chemical Communications","2006","","","","","10.1039/b514358f","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100713","10.2075","0.0002","24.0696","0.0003","14.0799","0.0002","90","","90.9514","0.0004","90","","3458.82","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 Cl6 N7 Ti -","- C28 H39 Cl6 N7 Ti -","- C112 H156 Cl24 N28 Ti4 -","4","1","","Helen R. Bigmore; Stuart R. Dubberley; Mirko Kranenburg; Sally C. Lawrence; Andrew J. Sealey; Jonathan D. Selby; Martin Zuidefeld; Andrew R. Cowley; Philip Mountford","","Chemical Communications","2006","","","","","10.1039/b514467a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100714","38.4631","0.0017","38.4631","0.0017","14.9277","0.0013","90","","90","","120","","19125","2","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H36 B F4 O8 P2 Rh -","- C42 H36 B F4 O8 P2 Rh -","- C756 H648 B18 F72 O144 P36 Rh18 -","18","1","","Seung Uk Son.; J. A. Reingold; G. B. Carpenter; D. A. Sweigart","Organometallic crystal engineering of [(1,4- and 1,3-hydroquinone)Rh(P(OPh)3)2]BF4 by charge assisted hydrogen bonding","Chemical Communications","2006","","","","","10.1039/b514543k","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100715","38.721","0.004","38.721","0.004","14.661","0.002","90","","90","","120","","19037","4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H36 B F4 O8 P2 Rh -","- C42 H36 B F4 O8 P2 Rh -","- C756 H648 B18 F72 O144 P36 Rh18 -","18","1","","Seung Uk Son.; J. A. Reingold; G. B. Carpenter; D. A. Sweigart","Organometallic crystal engineering of [(1,4- and 1,3-hydroquinone)Rh(P(OPh)3)2]BF4 by charge assisted hydrogen bonding","Chemical Communications","2006","","","","","10.1039/b514543k","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100716","28.025","0.0016","14.0764","0.0008","26.7094","0.0015","90","","102.31","0.001","90","","10294.4","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H34 Br9 N4 O3.5 Zn -","- C49 H29 Br9 N4 O3.5 Zn -","- C392 H232 Br72 N32 O28 Zn8 -","8","1","","Qing-Yun Chen; Chao Liu; Dong-Mei Shen","Unexpected bromination ring opening of tetraarylporphyrins","Chemical Communications","2006","","","","","10.1039/b514767k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100717","10.334","0.001","15.747","0.001","20.474","0.001","90","","99.4","0.001","90","","3287","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 I Tm -","- C34 H58 I Tm -","- C136 H232 I4 Tm4 -","4","1","","Francois Nief; Florian Jaroschik; Louis Ricard","Synthesis of a new stable, neutral organothulium(II) complex by reduction of a thulium(III) precursor.","Chemical Communications","2006","","","","","10.1039/b514818a","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100718","10.212","0.001","15.679","0.001","23.357","0.001","90","","94.38","0.001","90","","3728.9","0.5","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H66 O Tm -","- C38 H66 O Tm -","- C152 H264 O4 Tm4 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b514818a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180109","2020-10-21","18:00:00",""
"7100719","25.355","0.008","26.787","0.009","36.371","0.012","83.334","0.005","81.724","0.005","62.437","0.004","21636","12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C328 H404 Cl O136 P9 S16 Yb0.75 -","- C328 H244 Cl O136.02 P9 S16 Yb0.73 -","- C656 H488 Cl2 O272.04 P18 S32 Yb1.46 -","2","1","","Mohamed Makha; Colin L. Raston; Alexandre N. Sobolev","Constructing 2D porous material based on the assembly of large organic ions: p-sulfonatocalix[8]arene and tetraphenylphosphonium ions","Chemical Communications","2006","","","","","10.1039/b514833b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180109","2020-10-21","18:00:00",""
"7100720","15.5185","0.0004","12.6919","0.0005","22.3919","0.0009","90","","90.043","0.002","90","","4410.3","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Mg2 N2 Na2 O9 -","- C42 H58 Mg2 N2 Na2 O9 -","- C168 H232 Mg8 N8 Na8 O36 -","4","1","","D.V. Graham; E. Hevia; A.R. Kennedy; R.E. Mulvey; C.T. O'Hara; C. Talmard","Building an extended inverse crown motif via alkali-metal-mediated alpha-magnesiation of furan","Chemical Communications","2006","","","","","10.1039/b514985a","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100721","16.3726","0.0003","14.8374","0.0002","21.3411","0.0004","90","","90.145","0.001","90","","5184.31","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H100 Mg N9 Na -","- C45 H100 Mg N9 Na -","- C180 H400 Mg4 N36 Na4 -","4","1","","D.V. Graham; E. Hevia; A.R. Kennedy; R.E. Mulvey; C.T. O'Hara; C. Talmard","Building an extended inverse crown motif via alkali-metal-mediated alpha-magnesiation of furan","Chemical Communications","2006","","","","","10.1039/b514985a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180109","2020-10-21","18:00:00",""
"7100722","17.7798","0.0008","15.1565","0.0006","15.7185","0.0007","90","","90","","90","","4235.8","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C50 H48 Li2 N8 -","- C50 H48 Li2 N8 -","- C200 H192 Li8 N32 -","4","1","","M. Ephritikhine; Pierre Thuery; Claude Villiers","Reductive coupling of carbodiimides with metallic lithium: a new route to metal oxalamidino complexes","Chemical Communications","2006","","","","","10.1039/b515285b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100723","12.094","0.0001","19.5096","0.0003","7.5502","0.0002","90","","102.807","0.0007","90","","1737.14","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl Cu N3 O7 -","- C14 H16 Cl Cu N3 O7 -","- C56 H64 Cl4 Cu4 N12 O28 -","4","1","","Jalila Simaan; Christian Gaudin; Wadih Ghattas; Michel Giorgi; Marius Reglier; Antal Rockenbauer","ACC-Oxidase like activity of a copper(II)-ACC complex in the presence of hydrogen peroxide. Detection of a reaction intermediate at low temperature.","Chemical Communications","2006","","","","","10.1039/b515374c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180109","2020-10-21","18:00:00",""
"7100724","20.664","0.004","12.13","0.002","14.363","0.003","90","","92.894","0.003","90","","3595.4","1.1","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H11 F6 -","- C22 H11 F5.97 -","- C176 H88 F47.76 -","8","1","","Yunqi Liu; Shiyan Chen; Yongqiang Ma; Ting Qi; Wenfeng Qiu; Kuizhan Shao; Zhongmin Su; Xiaobo Sun; Ying Wang; Gui Yu; Hengjun Zhang; Daoben Zhu","Novel butterfly pyrene based organic semiconductors for field effect transistors","Chemical Communications","2006","","","","","10.1039/b515433b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180109","2020-10-21","18:00:00",""
"7100725","13.794","0.005","8.637","0.005","11.009","0.005","90","0.005","112.4","0.005","90","0.005","1212.6","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 S2 -","- C16 H9 S2 -","- C64 H36 S8 -","4","1","","Yunqi Liu; Shiyan Chen; Yongqiang Ma; Ting Qi; Wenfeng Qiu; Kuizhan Shao; Zhongmin Su; Xiaobo Sun; Ying Wang; Gui Yu; Hengjun Zhang; Daoben Zhu","Novel butterfly pyrene based organic semiconductors for field effect transistors","Chemical Communications","2006","","","","","10.1039/b515433b","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100726","25.7856","0.0012","25.7856","0.0012","6.7701","0.001","90","","90","","120","","3898.34","","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Ni O3 -","- C4 H Ni O3 -","- C72 H18 Ni18 O54 -","18","1","","Pascal Dietzel; Richard Blom; Hellmer Fjellvag; M. Hirscher; B. Panella","Hydrogen adsorption in a nickel based coordination polymer with open metal sites in the cylindrical cavities of the desolvated frame","Chemical Communications","2006","","","","","10.1039/b515434k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100727","25.9783","0.0007","25.9783","0.0007","6.6883","0.0002","90","","90","","120","","3909.01","","295","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H11 Ni O8 -","- C4 H Ni O9.25 -","- C72 H18 Ni18 O166.5 -","18","1","","","","Chemical Communications","2006","","","","","10.1039/b515434k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100728","23.28","0.0007","17.9532","0.0006","17.701","0.0005","90","","94.237","0.001","90","","7377.9","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,1,1,2,3,3,4,5,6,6,7,8,8,8-Tetradecamethyl-2,7-bis(trimethyl- silyl)-4,5-bis(1 ,1 2 ,3 ,3 ,3 -hexamethyl-2 -trimethylsilyl- trisilanyl)octasilane","","","- C38 H114 Si18 -","- C38 H114 Si18 -","- C152 H456 Si72 -","4","0.5","","C. Krempner; M. Kockerling; C. Mamat","Novel Double-Cored Oligosilane Dendrimers Conformational Dependence of the UV Absorption Spectra","Chemical Communications","2006","","","","","10.1039/b515562b","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100729","25.47","0.05","25.471","","41.51","0.07","90","","90","","90","","26929","68","153","2","153","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C42 H57.5 Co N6 O20.75 Pr0.17 S4 -","- C42 H46 Co N6 O20.75 Pr0.17 S4 -","- C672 H736 Co16 N96 O332 Pr2.72 S64 -","16","1","","C.B. Smith; L.J. Barbour; M. Makha; C.L. Raston; A.N. Sobolev","Inclusion of Co(III) Sepulchrate Cations within the cavity of p-sulfonatocalix[4]arene: the effect of lanthanide(III) ions on the interplay of binary complex motifs","Chemical Communications","2006","","","","","10.1039/b515580k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100730","9.5969","0.0005","11.1578","0.0003","19.2187","0.0006","83.794","0.002","89.248","0.005","68.512","0.003","1902.9","0.1","272.7","","","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H35 O P Pt S2 -","- C41 H35 O P Pt S2 -","- C82 H70 O2 P2 Pt2 S4 -","2","1","","Hitoshi Kuniyasu; Takamichi Kajiura; Nobuaki Kambe; Tomohiro Kato; Masanori Kinomoto; Hideo Kurosawa; Y. Minami; Atsushi Ohtaka; Jun Terao","""beta-cis-SAr effect"" on decarbonylation from alpha,beta-unsaturated acyl and aroyl complexes","Chemical Communications","2006","","","","","10.1039/b515616e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100731","10.0261","0.0003","12.5372","0.0004","20.4416","0.0006","102.137","0.003","94.601","0.003","101.43","0.003","2442.24","0.14","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H59 N3 O10 -","- C54 H59 N3 O10 -","- C108 H118 N6 O20 -","2","1","","P. D. Beer; Andrew R. Cowley; Michael Lankshear","Cooperative AND receptors for ion-pairs","Chemical Communications","2006","","","","","10.1039/b515634c","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100732","11.2163","0.0008","8.5454","0.0008","11.5523","0.0012","90","","112.48","0.006","90","","1023.12","0.12","218","1","218","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Br N O5 -","- C21 H22 Br N O5 -","- C42 H44 Br2 N2 O10 -","2","1","","Hans-Joachim Knolker; Elke Baum; Regina Czerwonka; Kethiri R. Reddy","First enantioselective total synthesis of neocarazostatin B, determination of its absolute configuration and transformation into carquinostatin A","Chemical Communications","2006","","","","","10.1039/b515674b","","","","","","","0.0279","","","0.071","","","","","","","","","","","has coordinates","295941","2024-11-15","16:22:22",""
"7100733","7.51","0.0002","13.21","0.0003","13.845","0.0004","63.91","0.0011","84.736","0.0011","86.815","0.0018","1228.19","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Co(NH3)6(C8H8S2O6)1.5(H2O)2","","","- C24 H50 Co2 N12 O22 S6 -","- C24 H60 Co2 N12 O22 S6 -","- C24 H60 Co2 N12 O22 S6 -","1","0.5","","George Shimizu; Sean A. Dalrymple","Selective guest inclusion in a non-porous H-bonded host","Chemical Communications","2006","","","","","10.1039/b515735h","","","","","","","","","","","","","","","","","","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7100734","14.567","0.005","15.427","0.005","15.552","0.005","60.837","0.005","74.578","0.005","66.91","0.005","2795.2","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Co(NH3)6(C8H8S2O6)1.5(H2O)3(Aniline)0.5","","","- C30 H65 Co2 N13 O24 S6 -","- C30 H65 Co2 N13 O24 S6 -","- C60 H130 Co4 N26 O48 S12 -","2","1","","George Shimizu; Sean A. Dalrymple","Selective guest inclusion in a non-porous H-bonded host","Chemical Communications","2006","","","","","10.1039/b515735h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100735","9.187","0.014","11.389","0.018","12.8","0.02","105.3","0.13","93.62","0.1","105.23","0.08","1234","3","213","2","213","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H32 N2 O3 -","- C26 H32 N2 O3 -","- C52 H64 N4 O6 -","2","2","","G. Dyker; D. Hildebrandt; D. Kadzimirsz; K. Merz","","Chemical Communications","2006","","","","","10.1039/b516017k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100736","18.712","0.0004","18.712","0.0004","22.74","0.0004","90","","90","","90","","7962.2","0.3","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C44 H48 O12 -","- C44 H48 O12 -","- C352 H384 O96 -","8","1","","A.W. Coleman; Oksana Danylyuk; Adina Lazar; Florent Perret; Kinga Suwinska","Assembly of a Novel Supramolecular Synthon of Calix[4]arene Presenting Four Carboxylic Acids","Chemical Communications","2006","","","","","10.1039/b516065k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100737","8.2331","0.0004","10.8651","0.0007","28.5582","0.0018","90","","90","","90","","2554.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O25 U3 -","- C12 H18 O25 U3 -","- C48 H72 O100 U12 -","4","1","","Pierre Thuery","Uranyl Ion Complexation by Citric and Tricarballylic Acids: Hydrothermal Synthesis and Structure of Two- and Three-Dimensional Uranium-Organic Frameworks","Chemical Communications","2006","","","","","10.1039/b516191f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100738","7.8259","0.0006","10.0351","0.0005","16.9494","0.0014","90","","90","","90","","1331.1","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Na O12 U -","- C6 H5 Na O12 U -","- C24 H20 Na4 O48 U4 -","4","1","","Pierre Thuery","Uranyl Ion Complexation by Citric and Tricarballylic Acids: Hydrothermal Synthesis and Structure of Two- and Three-Dimensional Uranium-Organic Frameworks","Chemical Communications","2006","","","","","10.1039/b516191f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100739","11.149","0.006","10.559","0.005","11.588","0.006","90","","100.508","0.008","90","","1341.3","1.2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N2 O -","- C15 H22 N2 O -","- C60 H88 N8 O4 -","4","1","","Jason J. Shiers; Guy J. Clarkson; Michael Shipman; Jerome F. Hayes","Rapid Generation of Molecular Complexity using Hybrid Multi-Component Reactions (MCRs): Application to the Synthesis of ?-Amino Nitriles and 1,2-Diamines","Chemical Communications","2006","","","","","10.1039/b516192d","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100740","27.33","0.02","13.742","0.01","11.347","0.008","90","","101.47","0.013","90","","4176","5","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N2 O -","- C23 H30 N2 O -","- C184 H240 N16 O8 -","8","2","","Jason J. Shiers; Guy J. Clarkson; Michael Shipman; Jerome F. Hayes","Rapid Generation of Molecular Complexity using Hybrid Multi-Component Reactions (MCRs): Application to the Synthesis of ?-Amino Nitriles and 1,2-Diamines","Chemical Communications","2006","","","","","10.1039/b516192d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100741","7.9135","0.0015","16.956","0.003","12.898","0.003","90","","92.377","0.003","90","","1729.3","0.6","295","2","295","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12.5 H16 B Cl N6 O Ru S -","- C12 H15 B N6 O Ru S -","- C48 H60 B4 N24 O4 Ru4 S4 -","4","1","","T.B. Gunnoe; L.A. Goj; M. Lail; K.A. Pittard; K.C. Riley; J.L. Petersen","Reactions of TpRu(CO)(NCMe)(Ph) with Electron-Rich Olefins: Examples of Stoichiometric C-S, C-O and C-H Bond Cleavage","Chemical Communications","2006","","","","","10.1039/b516407a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100742","11.5497","0.0004","14.6647","0.0005","16.2586","0.0006","90","","101.473","0.002","90","","2698.74","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H48 N8 Zn4 -","- C16 H48 N8 Zn4 -","- C64 H192 N32 Zn16 -","4","1","","Carl Redshaw; Mark R.J Elsegood","Synthesis and Disruption of a Tetrametallic Zinc Hydrazide","Chemical Communications","2006","","","","","10.1039/b516431a","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100743","12.961","0.0006","14.6764","0.0007","15.5138","0.0007","90","","98.069","0.002","90","","2921.8","0.2","151","2","151","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H51 Li N8 Zn4 -","- C18 H51 Li N8 Zn4 -","- C72 H204 Li4 N32 Zn16 -","4","1","","Carl Redshaw; Mark R.J Elsegood","Synthesis and Disruption of a Tetrametallic Zinc Hydrazide","Chemical Communications","2006","","","","","10.1039/b516431a","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100744","18.716","0.0006","11.0604","0.0002","21.3661","0.0007","90","","111.321","0.002","90","","4120.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 Cl2 O8 U -","- C44 H46 Cl2 O8 U -","- C176 H184 Cl8 O32 U4 -","4","1","","M. Ephritikhine; Lionel Salmon; Pierre Thuery","Uranium(IV) complexes of calix[n]arenes (n = 4, 6 and 8)","Chemical Communications","2006","","","","","10.1039/b516438a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180109","2020-10-21","18:00:00",""
"7100745","13.9003","0.0006","15.8165","0.0007","16.4023","0.001","71.339","0.002","83.412","0.002","64.607","0.004","3085.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H156 Cl4 O24 U4 -","- C132 H156 Cl4 O24 U4 -","- C132 H156 Cl4 O24 U4 -","1","0.5","","M. Ephritikhine; Lionel Salmon; Pierre Thuery","Uranium(IV) complexes of calix[n]arenes (n = 4, 6 and 8)","Chemical Communications","2006","","","","","10.1039/b516438a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100746","18.7818","0.0014","30.66","0.003","19.4331","0.0019","90","","112.569","0.005","90","","10333.6","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101 H92 Cl11 N9 O8 U3 -","- C101.5 H88.5 Cl11 N8.5 O8 U3 -","- C406 H354 Cl44 N34 O32 U12 -","4","1","","M. Ephritikhine; Lionel Salmon; Pierre Thuery","Uranium(IV) complexes of calix[n]arenes (n = 4, 6 and 8)","Chemical Communications","2006","","","","","10.1039/b516438a","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100747","10.99","0.004","18.366","0.009","15.123","0.004","90","","96.53","0.02","90","","3033","2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C144 H136 N24 O8 -","8","2","","Evans, Louise S.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Pyrrolylamidourea based anion receptors","New Journal of Chemistry","2006","30","7","1019","","10.1039/b603223k","","","0.71073","MoKα","","0.233","0.0685","","","0.1249","0.1765","","","","","","0.941","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100748","22.9059","0.0019","8.5806","0.0007","40.738","0.003","90","","93.308","0.002","90","","7993.6","1.1","120","2","120","2","","","","","","","Roberto Quesada","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H56 N6 O3 S -","- C41 H56 N6 O3 S -","- C328 H448 N48 O24 S8 -","8","2","","Evans, Louise S.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Pyrrolylamidourea based anion receptors","New Journal of Chemistry","2006","30","7","1019","","10.1039/b603223k","","","0.6814","synchrotron","","0.1344","0.0901","","","0.2368","0.2735","","","","","","1.042","","","","has coordinates,has disorder","180109","2020-10-21","18:00:00",""
"7100749","18.021","0.0004","8.0777","0.0002","16.7769","0.0004","90","","115.523","0.001","90","","2203.86","0.09","120","2","120","2","","","","","","","Roberto Quesada","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N5 O4 -","- C25 H21 N5 O4 -","- C100 H84 N20 O16 -","4","1","","Evans, Louise S.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Pyrrolylamidourea based anion receptors","New Journal of Chemistry","2006","30","7","1019","","10.1039/b603223k","","","0.71073","MoKα","","0.0834","0.0548","","","0.1218","0.1352","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100750","22.21","0.002","10.2458","0.0011","17.7739","0.0019","90","","100.842","0.002","90","","3972.4","0.7","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cu N2 O4 -","- C25 H20 Cu N2 O4 -","- C200 H160 Cu8 N16 O32 -","8","1","","Thorsten Glaser; Roland Frohlich; Stefan Grimme; Olga M Kataeva; Ioannis Liratzis; Manuel Piacenza","Direct influence of hydrogen-bonding on the reduction potential of a CuII center","Chemical Communications","2006","","","","","10.1039/b517340j","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100751","22.06","0.001","10.158","0.001","17.598","0.001","90","","100.97","0.01","90","","3871.4","0.5","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cu N2 O2 -","- C25 H20 Cu N2 O2 -","- C200 H160 Cu8 N16 O16 -","8","1","","Thorsten Glaser; Roland Frohlich; Stefan Grimme; Olga M Kataeva; Ioannis Liratzis; Manuel Piacenza","Direct influence of hydrogen-bonding on the reduction potential of a CuII center","Chemical Communications","2006","","","","","10.1039/b517340j","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100752","27.321","0.006","8.7467","0.0017","15.029","0.003","90","","97.75","0.03","90","","3558.5","1.2","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C168 H192 O24 -","8","1","","","","Chemical Communications","2006","","","","","10.1039/b517385j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100793","11.9948","0.0007","13.9469","0.0008","15.4951","0.0009","72.118","0.001","86.714","0.001","66.907","0.001","2263.4","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Rh(CNC~6~H~11~)~4~]B(C~6~H~5~)~4~","","","- C52 H64 B N4 Rh -","- C52.005 H64 B N4 Rh -","- C104.01 H128 B2 N8 Rh2 -","2","1","","A.L. Balch; James C. Fettinger; Marilyn M. Olmstead; David Pham; Jay Stork; Ngon Tran","Variation in Crystallization Conditions Allows the Isolation of Trimeric as Well as Dimeric and Monomeric Forms of [(Alkyl Isocyanide)4RhI]+.","Chemical Communications","2006","","","","","10.1039/b513700d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100794","14.2642","0.0006","14.2642","0.0006","18.6642","0.0016","90","","90","","90","","3797.6","0.4","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","[Rh(i-PrNC)~4~]B(C~6~H~5~)~4~","","","- C40 H48 B N4 Rh -","- C40 H48 B N4 Rh -","- C160 H192 B4 N16 Rh4 -","4","0.25","","A.L. Balch; James C. Fettinger; Marilyn M. Olmstead; David Pham; Jay Stork; Ngon Tran","Variation in Crystallization Conditions Allows the Isolation of Trimeric as Well as Dimeric and Monomeric Forms of [(Alkyl Isocyanide)4RhI]+.","Chemical Communications","2006","","","","","10.1039/b513700d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180109","2020-10-21","18:00:00",""
"7100795","13.5495","0.0004","23.1451","0.0007","20.2848","0.0006","90","","105.449","0.003","90","","6131.6","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Rh(CNCy)4]2(Cl)2.0.5benzene.2H2O","","","- C59 H97 Cl2 N8 O2 Rh2 -","- C59 H91 Cl2 N8 O2 Rh2 -","- C236 H364 Cl8 N32 O8 Rh8 -","4","1","","A.L. Balch; James C. Fettinger; Marilyn M. Olmstead; David Pham; Jay Stork; Ngon Tran","Variation in Crystallization Conditions Allows the Isolation of Trimeric as Well as Dimeric and Monomeric Forms of [(Alkyl Isocyanide)4RhI]+.","Chemical Communications","2006","","","","","10.1039/b513700d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180109","2020-10-21","18:00:00",""
"7100796","21.5193","0.0006","22.7979","0.0006","14.0456","0.0004","90","","90","","90","","6890.7","0.3","180","2","180","2","","","","","","","","6","P n n m","-P 2 2n","58","[Rh3(CN-iPr)12]Cl3.4.5H2O","","","- C48 H91 Cl3 N12 O4.5 Rh3 -","- C48 H90 Cl3 N12 O4.5 Rh3 -","- C192 H360 Cl12 N48 O18 Rh12 -","4","0.5","","A.L. Balch; James C. Fettinger; Marilyn M. Olmstead; David Pham; Jay Stork; Ngon Tran","Variation in Crystallization Conditions Allows the Isolation of Trimeric as Well as Dimeric and Monomeric Forms of [(Alkyl Isocyanide)4RhI]+.","Chemical Communications","2006","","","","","10.1039/b513700d","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100797","9.389","0.002","14.878","0.003","17.833","0.004","90","","104.608","0.003","90","","2410.6","1.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H38 N2 O4 Ti -","- C19 H38 N2 O4 Ti -","- C76 H152 N8 O16 Ti4 -","4","1","","Polly L. Arnold; Alexander J. Blake; Stephen T. Liddle; Shaheed A. Mungur; Dipti Patel; Mark Rodden","Bifunctional yttrium(III) and titanium(IV) NHC catalysts for lactide polymerisation","Chemical Communications","2006","","","","","10.1039/b514406j","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100798","11.0468","0.0008","27.344","0.002","9.9797","0.0007","90","","90","","90","","3014.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N2 O5 -","- C36 H32 N2 O5 -","- C144 H128 N8 O20 -","4","1","","Reiko Kuroda; Yoshitane Imai; Tomohiro Sato; Masatoshi Takeshita","Successive optical resolution of two compounds by one enantiopure compound","Chemical Communications","2006","","","","","10.1039/b515009d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100799","9.5831","0.0006","18.4429","0.0012","19.5963","0.0012","90","","90","","90","","3463.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H42 N2 O6 -","- C40 H41 N2 O6 -","- C160 H164 N8 O24 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b515009d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100800","9.5068","0.0006","18.9504","0.0011","19.9816","0.0012","90","","90","","90","","3599.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 N2 O6 -","- C41 H44 N2 O6 -","- C164 H176 N8 O24 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b515009d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100801","9.5768","0.0008","18.6287","0.0016","19.514","0.0017","90","","90","","90","","3481.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 N2 O6 -","- C41 H43 N2 O6 -","- C164 H172 N8 O24 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b515009d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100802","9.6692","0.0005","18.7489","0.0011","19.8331","0.0011","90","","90","","90","","3595.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 N2 O6 -","- C42 H45 N2 O6 -","- C168 H180 N8 O24 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b515009d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100803","9.5777","0.0006","27.1971","0.0017","28.9068","0.0017","90","","90","","90","","7529.8","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C86 H96 N4 O12 -","- C86 H94 N4 O12 -","- C344 H376 N16 O48 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b515009d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100804","13.1714","0.0006","16.3264","0.0008","18.3847","0.0008","90","","93.276","0.003","90","","3947","0.3","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H52 Br K O17 -","- C37 H52 Br K O17 -","- C148 H208 Br4 K4 O68 -","4","1","","M. Nissinen; A. Ahman","Pyrogallarenes as alkali metal receptors: The role of cation-pi interactions for complexation","Chemical Communications","2006","","","","","10.1039/b515143k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180110","2020-10-21","18:00:00",""
"7100805","9.2378","0.0002","22.9315","0.0005","17.3511","0.0003","90","","94.206","0.002","90","","3665.7","0.13","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H42 Cl O15 Rb -","- C34.5 H42 Cl O15 Rb -","- C138 H168 Cl4 O60 Rb4 -","4","1","","M. Nissinen; A. Ahman","Pyrogallarenes as alkali metal receptors: The role of cation-pi interactions for complexation","Chemical Communications","2006","","","","","10.1039/b515143k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100806","9.3414","0.0001","23.2823","0.0004","17.4432","0.0003","90","","93.767","0.0012","90","","3785.51","0.1","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H42 Br Cs O15.25 -","- C34.5 H42 Br Cs O15.25 -","- C138 H168 Br4 Cs4 O61 -","4","1","","M. Nissinen; A. Ahman","Pyrogallarenes as alkali metal receptors: The role of cation-pi interactions for complexation","Chemical Communications","2006","","","","","10.1039/b515143k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100807","10.4761","0.0003","16.4356","0.0004","20.9672","0.0005","90","","90","","90","","3610.15","0.16","173","0.1","173","0.1","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- C35 H44 O16 -","- C35 H44 O16 -","- C140 H176 O64 -","4","0.5","","M. Nissinen; A. Ahman","Pyrogallarenes as alkali metal receptors: The role of cation-pi interactions for complexation","Chemical Communications","2006","","","","","10.1039/b515143k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100808","7.0738","0.0002","7.459","0.0002","14.247","0.0006","101.473","0.001","91.444","0.001","105.224","0.001","708.46","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Cl6 O2 Sn2 -","- C22 H28 Cl6 O2 Sn2 -","- C22 H28 Cl6 O2 Sn2 -","1","0.5","","Bernard Jousseaume; Hassan Allouchi; Monique Biesemans; Hicham Elhamzaoui; Thierry Toupance; R. Willem; Cecile Zakri","A Doubly Folded Spacer in a Self-Assembled Hybrid Material","Chemical Communications","2006","","","","","10.1039/b515260g","","","","","","","","","","","","","","","","","","","","","has coordinates","208161","2020-10-21","18:00:00",""
"7100809","6.665","0.003","8.907","0.011","10.679","0.008","90.05","0.04","89.12","0.05","81.93","0.05","627.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 Cl3 Sn -","- C10 H12 Cl3 Sn -","- C20 H24 Cl6 Sn2 -","2","1","","Bernard Jousseaume; Hassan Allouchi; Monique Biesemans; Hicham Elhamzaoui; Thierry Toupance; R. Willem; Cecile Zakri","A Doubly Folded Spacer in a Self-Assembled Hybrid Material","Chemical Communications","2006","","","","","10.1039/b515260g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100810","7.1491","0.0001","12.1585","0.0002","44.3897","0.0003","90","","94.601","0.001","90","","3846.02","0.09","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Ag1.5 N7.5 O4.5 -","- C15 H18 Ag1.5 N7.5 O4.5 -","- C120 H144 Ag12 N60 O36 -","8","1","","Ohrstrom, Lars; Abu-Youssef, Morsy A.M.; Langer, Vratislav","A unique example of a high symmetry three- and four-connected hydrogen bonded 3D-network","Chemical Communications","2006","","","","","10.1039/b515399a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100811","8.8411","0.0005","11.7123","0.0006","20.3847","0.001","74.793","0.003","86.903","0.004","79.343","0.004","2001.75","0.18","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H58 F24 N20 P4 Ru2 -","- C70 H58 F24 N20 P4 Ru2 -","- C70 H58 F24 N20 P4 Ru2 -","1","0.5","","Garry S. Hanan; Sebastiano Campagna; Frederique Loiseau; Matthew I. J. Polson","Bridging ligand planarity as a route to long-lived, near infrared emitting dinuclear ruthenium complexes","Chemical Communications","2006","","","","","10.1039/b515493f","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100812","9.2288","0.0008","13.5778","0.0012","10.2001","0.0009","90","","94.31","0.002","90","","1274.53","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H16 Fe2 N4 O8 -","- C28 H16 Fe2 N4 O8 -","- C56 H32 Fe4 N8 O16 -","2","1","","Kuan-Jiuh Lin; Lu-Lin Li; Hung-Duen Yang","A Coordination pi-pi Framework Exhibiting Spontaneous Magnetization","Chemical Communications","2006","","","","","10.1039/b515681e","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100813","10.8665","0.0003","11.1927","0.0003","34.5493","0.0012","90","","90","","90","","4202.1","0.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O5 -","- C23 H27 N O5 -","- C184 H216 N8 O40 -","8","2","","Darren J. Dixon; A. Louise Tillman; Jinxing Ye.","Direct Enantio- and Diastereoselective Mannich Reactions of Malonate and a-Keto Esters with N-Boc- and N-Cbz-Aldimines Catalysed by a Bifunctional Cinchonine Derivative","Chemical Communications","2006","","","","","10.1039/b515725k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100814","10.632","0.0018","9.2506","0.0015","18.993","0.003","90","","105.409","0.003","90","","1800.8","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H19 N -","- C26 H19 N -","- C104 H76 N4 -","4","2","","Ben Tang; Yongqiang Dong; Matthias Haussler; Jacky W.Y Lam; Hui Tong","Tunable Aggregation-Induced Emission of Novel Dibenzofulvene Derivatives","Chemical Communications","2006","","","","","10.1039/b515798f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100815","45.66","0.05","14.605","0.015","30.04","0.03","90","","92.5","0.1","90","","20014","36","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C218 H234 N12 O3 Zn3 -","- C218 H234 N12 O3 Zn3 -","- C872 H936 N48 O12 Zn12 -","4","1","","J. Sanders; Thibaut Jarrosson; Sofia I. Pascu; Lok Tong","Large-scale synthesis of alkyne-linked tripodal porphyrins via palladium-mediated coupling conditions","Chemical Communications","2006","","","","","10.1039/b515902d","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100816","10.9085","0.0002","15.7116","0.0003","20.0954","0.0004","101.309","0.0007","90.3507","0.0008","91.7091","0.0012","3375.52","0.11","180","","180","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H80 Cl2 I N4 O Zn -","- C70 H80 Cl2 I N4 O Zn -","- C140 H160 Cl4 I2 N8 O2 Zn2 -","2","1","","","","Chemical Communications","2006","","","","","10.1039/b515902d","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100817","10.3474","0.0002","12.5764","0.0002","20.7829","0.0003","90","","90","","90","","2704.54","0.08","180","","180","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 B3 O6 -","- C24 H39 B3 O6 -","- C96 H156 B12 O24 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b515902d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100818","26.6682","0.0004","8.816","0.0001","8.1534","0.0001","90","","90.8516","0.0005","90","","1916.71","0.04","106","","106","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bis(eta$5!-t-butylcyclopentadienyl)(eta$2!-but-2-yne-1,4- diyl)zirconium","","","- C22 H30 Zr -","- C22 H30 Zr -","- C88 H120 Zr4 -","4","1","","Daisuke Hashizume; Teiji Chihara; Noriyuki Suzuki","An experimental electron density study on ``1-zirconacyclopent-3-yne","Chemical Communications","2006","","","","","10.1039/b516229g","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100819","10.7737","0.0006","14.0513","0.0007","18.8781","0.001","97.147","0.004","96.075","0.004","104.631","0.005","2715.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H5 B2 F20 N O2 -","- C26 H5 B2 F20 N O2 -","- C104 H20 B8 F80 N4 O8 -","4","2","","George Britovsek; Patricia Hunt; Juri Ugolotti; Andrew J. P. White","Lewis and Bronsted Multifunctionality: An Unusual Heterocycle from the Reaction of Bis(pentafluorophenyl)borinic Acid with Nitriles","Chemical Communications","2006","","","","","10.1039/b516262a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100820","10.768","0.002","5.2056","0.0012","13.747","0.003","90","","110.24","0.013","90","","723","0.3","120","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As3 Cs2 H3 O13 Zn3 -","- As3 Cs2 H3 O13 Zn3 -","- As6 Cs4 H6 O26 Zn6 -","2","1","","S.B. Wiggin; M.T. Weller","A chiral, 16-ring channel framework and a layered caesium zincoarsenate","Chemical Communications","2006","","","","","10.1039/b516293a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180110","2020-10-21","18:00:00",""
"7100821","16.1047","0.0009","6.5829","0.0004","12.9291","0.0007","90","","99.263","0.004","90","","1352.81","0.13","120","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- As3 Cs H8 O15 Zn3 -","- As3 Cs H8 O15 Zn3 -","- As12 Cs4 H32 O60 Zn12 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b516293a","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100822","16.7257","0.0019","29.142","0.003","32.264","0.003","90","","92.939","0.004","90","","15705","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H183 Co3 N36 O78 -","- C81 H63 Co3 N36 O78 -","- C324 H252 Co12 N144 O312 -","4","0.5","","Makoto Tadokoro; Syoko Fukui; Shun'Ichi Ishimaru; Kiyoshi Isobe; Hiroshi Kitagawa; Tadamori Kitajima; Y. Nagao; Kazuhiro Nakasuji","Structures and Phase Transition of Multi-Layered Water Nanotube Confined to Nanochannels","Chemical Communications","2006","","","","","10.1039/b516807d","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100823","16.403","0.005","29.471","0.007","10.954","0.006","90","","90.24","0.03","90","","5295","3","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H67 Co N12 O29 -","- C27 H20 Co N12 O29 -","- C108 H80 Co4 N48 O116 -","4","0.5","","","","Chemical Communications","2006","","","","","10.1039/b516807d","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100824","16.403","0.005","29.471","0.007","10.954","0.006","90","","90.24","0.03","90","","5295","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H67 Co N12 O29 -","- C27 H18 Co N12 O6 -","- C108 H72 Co4 N48 O24 -","4","0.5","","","","Chemical Communications","2006","","","","","10.1039/b516807d","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100825","12.5348","0.0007","17.6624","0.001","13.2114","0.0008","90","","102.171","0.001","90","","2859.2","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl2 Fe O4 P2 Pt -","- C29 H22 Cl2 Fe O4 P2 Pt -","- C116 H88 Cl8 Fe4 O16 P8 Pt4 -","4","1","","Nam Hur.; Jung Hoon Hong.; Wan Seop Kim.; Youngmee Kim.; Sung-Jin Kim.; Yong Bok Lee; Hyon Min Song.","Growth of FePt nanocrystals by a single bimetallic precursor [(CO)3Fe(?-dppm)(?-CO)PtCl2]","Chemical Communications","2006","","","","","10.1039/b516831g","","","","","","","","","","","","","","","","","","","","","has coordinates","190533","2020-10-21","18:00:00",""
"7100826","9.246","0.0009","16.792","0.002","6.495","0.0007","95.263","0.009","106.576","0.008","95.766","0.009","953.9","0.2","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 I3 S16 -","- C24 H24 I3 S16 -","- C24 H24 I3 S16 -","1","0.5","","Jun-ichi Yamada; Masashi Aimatsu; Hiroki Akutsu; Toshiaki Enoki; Kazuya Fujimoto; Koichi Kikuchi; S. Kudo; Akira Miyazaki; Shinichi Nakatsuji","Pressure effect on the electrical conductivity and superconductivity of beta-(BDA-TTP)2I3","Chemical Communications","2006","","","","","10.1039/b516909g","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"7100827","20.937","0.002","20.937","0.002","20.937","0.002","116.65","0.02","116.65","0.02","116.65","0.02","4265","7","120","2","120","2","","","","","","","","3","R 3 :R","P 3*","146","calix[4]arene dimethoxycarboxylic acid","","","- C64 H61.2 O22.6 -","- C63.5 H51 O18.3 -","- C190.5 H153 O54.9 -","3","1","","Adina N. Lazar; Nathalie Dupont; Alda Navaza; Antony W. Coleman","Helical Aquatubes of calix[4]arene dicarboxylic acid","Chemical Communications","2006","","","","","10.1039/b516963c","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100828","9.332","0.002","7.4076","0.0016","14.207","0.003","90","","100.594","0.003","90","","965.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","alpha BPzEt dimer","","","- C12 H10 N8 S8 -","- C12 H10 N8 S8 -","- C24 H20 N16 S16 -","2","0.5","","Richard Oakley; Alicea A. Leitch; Courtney E McKenzie; Robert W. Reed; John F. Richardson; Lenora D. Sawyer","Bimodal association of a bis-1,2,3-dithiazolyl radical","Chemical Communications","2006","","","","","10.1039/b517098b","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7100829","4.5411","0.0015","7.583","0.002","27.391","0.009","90","","94.05","0.005","90","","940.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta BPzEt dimer","","","- C12 H10 N8 S8 -","- C12 H10 N8 S8 -","- C24 H20 N16 S16 -","2","0.5","","Richard Oakley; Alicea A. Leitch; Courtney E McKenzie; Robert W. Reed; John F. Richardson; Lenora D. Sawyer","Bimodal association of a bis-1,2,3-dithiazolyl radical","Chemical Communications","2006","","","","","10.1039/b517098b","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7100830","11.4915","0.0011","12.2167","0.0012","16.0434","0.0015","90","","108.288","0.005","90","","2138.5","0.4","293","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C240 H160 N32 -","- C15 H10 N2 -","- C120 H80 N16 -","8","4","","A. Parenty; K. Guthrie; L. Smith; E. Burkholder; L. Cronin","","Chemical Communications","2006","","","","","10.1039/b517117b","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100831","15.0174","0.0007","13.67","0.0005","19.313","0.001","90","","90.84","0.002","90","","3964.3","0.3","296","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","Synthesis of Ru-Pt and Ru-Pd mixed-metal imido clusters from a diruthenium imido-methylene scaffold ((Cp*Ru)2(m2-NPh)(m2-CH2))","","","- C34 H56 F3 N O3 P2 Pt Ru2 S -","- C34 H56 F3 N O3 P2 Pt Ru2 S -","- C136 H224 F12 N4 O12 P8 Pt4 Ru8 S4 -","4","1","","Hiroyuki Matsuzaka; Ken Kamikawa; Hidenobu Morita; Shin Takemoto","Synthesis of Ru-Pt and Ru-Pd mixed-metal imido clusters from a diruthenium imido-methylene scaffold [(Cp*Ru)2(mu2-NPh)(mu2-CH2)]","Chemical Communications","2006","","","","","10.1039/b517222e","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100832","10.825","0.003","17.604","0.005","16.735","0.004","90","","92.64","0.03","90","","3185.6","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 N P Pt Ru2 -","- C30 H46 N P Pt Ru2 -","- C120 H184 N4 P4 Pt4 Ru8 -","4","1","","Hiroyuki Matsuzaka; Ken Kamikawa; Hidenobu Morita; Shin Takemoto","Synthesis of Ru-Pt and Ru-Pd mixed-metal imido clusters from a diruthenium imido-methylene scaffold [(Cp*Ru)2(mu2-NPh)(mu2-CH2)]","Chemical Communications","2006","","","","","10.1039/b517222e","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100833","8.515","0.003","10.9474","0.0002","16.62","0.005","106.02","0.02","92.442","0.009","112.13","0.04","1360.5","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 Cl N Pd Ru2 -","- C27 H36 Cl N Pd Ru2 -","- C54 H72 Cl2 N2 Pd2 Ru4 -","2","1","","Hiroyuki Matsuzaka; Ken Kamikawa; Hidenobu Morita; Shin Takemoto","Synthesis of Ru-Pt and Ru-Pd mixed-metal imido clusters from a diruthenium imido-methylene scaffold [(Cp*Ru)2(mu2-NPh)(mu2-CH2)]","Chemical Communications","2006","","","","","10.1039/b517222e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100834","6.0103","0.0002","14.876","0.0004","13.4368","0.0004","90","","92.226","0.0013","90","","1200.47","0.06","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H29 Cl3 Ga N4 P -","- C18 H29 Cl3 Ga N4 P -","- C36 H58 Cl6 Ga2 N8 P2 -","2","0.5","","Alexander Villinger; Peter Mayer; Axel Schulz","GaCl3 Assisted [2+3] Cycloaddition: A Route to Tetrazaphospholes","Chemical Communications","2006","","","","","10.1039/b517459g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180110","2020-10-21","18:00:00",""
"7100835","20.57","0.003","21.151","0.003","28.401","0.003","90","","119.442","0.008","90","","10761","2","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H99 Cu9 F36 N6 P2 -","- C96 H98 Cu9 F36 N6 P2 -","- C384 H392 Cu36 F144 N24 P8 -","4","1","","Samuel Johnson; Meghan Doster; Hua Han; Alana L. Keen","Facile Assembly of a Cu9 Amido Complex: A New Tripodal Ligand Design that Promotes Transition Metal Cluster Formation","Chemical Communications","2006","","","","","10.1039/b517531c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180110","2020-10-21","18:00:00",""
"7100836","11.114","0.003","14.156","0.003","19.352","0.005","80.22","0.004","85.469","0.004","89.231","0.004","2991","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Dimethyl 1,3-dibenzyl-2'-phenylimino-2',3'- dihydrospiro(benzimidazoline-2,3'-thiophene)-4',5'-dicarboxylate","","","- C34 H29 N3 O4 S -","- C34 H29 N3 O4 S -","- C136 H116 N12 O16 S4 -","4","2","","Ying Cheng; Mei-Fang Liu; Bo Wang","A N-heterocyclic carbene derived highly regioselective ambident C-C-S and C-C-N 1,3-dipolar system","Chemical Communications","2006","","","","","10.1039/b517700f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100837","8.88461","0.00005","8.88461","","8.88461","","90","","90","","90","","701.318","0.015","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- Al Cl Na O Si -","- Al6 Cl2.004 Na8 O24 Si6 -","- Al6 Cl2.004 Na8 O24 Si6 -","","","","M. Weller; J. A. Armstrong","Structural Observation of Photochromism","Chemical Communications","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100838","9.2968","0.0006","13.399","0.0009","15.3641","0.0011","70.286","0.001","82.699","0.001","80.629","0.001","1772.3","0.2","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H35 Al F5 Fe N Ni1.5 P -","- C40 H28 Al F5 Fe N Ni1.5 P -","- C80 H56 Al2 F10 Fe2 N2 Ni3 P2 -","2","1","","Zhiqiang Weng; Shihui Teo; Lip Lin Koh; T.S.A. Hor","Isolation and Structural Elucidation of a Ni0-Al(CH3)3 Bimetallic Complex with an Agostic alpha-C-H in a Bridging Methyl","Chemical Communications","2006","","","","","10.1039/b517824j","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100855","42.555","0.007","5.3195","0.0009","12.78","0.002","90","","103.405","0.004","90","","2814.3","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","BF2 chelated (3,5-Diphenyl-1H-pyrrol-2-yl)-(3-(4- dimethylamino-2,6 -dimethylphenyl)-5-phenylpyrrol-2-ylidene)-amine","","","- C36 H31 B F2 N4 -","- C36 H31 B F2 N4 -","- C144 H124 B4 F8 N16 -","4","1","","O. Donal; John Killoran","Impact of a Conformationally Restricted Receptor on the BF2 Chelated Azadipyrromethene Fluorosensing Platform","Chemical Communications","2006","","","","","10.1039/b513878g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100856","10.755","0.003","10.824","0.003","12.163","0.004","91.726","0.006","113.148","0.005","96.565","0.006","1288.9","0.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","BF2 chelated (3,5-Diphenyl-1H-pyrrol-2-yl)-(3-(4- dimethylaminophenyl) -5-phenylpyrrol-2-ylidene)-amine","","","- C34 H27 B F2 N4 -","- C34 H27 B F2 N4 -","- C68 H54 B2 F4 N8 -","2","1","","O. Donal; John Killoran","Impact of a Conformationally Restricted Receptor on the BF2 Chelated Azadipyrromethene Fluorosensing Platform","Chemical Communications","2006","","","","","10.1039/b513878g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100857","16.221","0.0011","6.5971","0.0005","27.0692","0.0019","90","","90","","90","","2896.7","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hydrate of 1:1 complex of barbituric acid and bipyridine-bis- N-oxide","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C112 H112 N32 O48 -","8","1","","A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy","Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals","Chemical Communications","2006","","","","","10.1039/b515510j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100858","13.467","0.003","11.722","0.003","3.737","0.001","90","","90","","90","","589.9","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","Isonicotinamide-N-oxide","","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","","A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy","Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals","Chemical Communications","2006","","","","","10.1039/b515510j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100859","11.0498","0.0016","3.6869","0.0005","15.019","0.002","90","","110.064","0.002","90","","574.73","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nicotinamide-N-oxide","","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","","A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy","Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals","Chemical Communications","2006","","","","","10.1039/b515510j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100860","10.3768","0.0012","15.8728","0.0018","9.4522","0.0011","90","","93.165","0.002","90","","1554.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:0.5 complex of phenobarbital and bipyridine-bis-N-oxide","","","- C17 H16 N3 O4 -","- C17 H16 N3 O4 -","- C68 H64 N12 O16 -","4","1","","A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy","Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals","Chemical Communications","2006","","","","","10.1039/b515510j","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100861","12.94","0.003","7.3496","0.0019","13.087","0.003","90","","90","","90","","1244.6","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Pyridine-2-carboxamide-N-oxide","","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C48 H48 N16 O16 -","8","1","","A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy","Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals","Chemical Communications","2006","","","","","10.1039/b515510j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100862","5.403","0.003","7.508","0.004","14.978","0.008","96.838","0.009","97.094","0.009","102.822","0.009","581.2","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Pyrazinamide-4-N-oxide","","","- C5 H5 N3 O2 -","- C5 H5 N3 O2 -","- C20 H20 N12 O8 -","4","2","","A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy","Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals","Chemical Communications","2006","","","","","10.1039/b515510j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100863","13.0701","0.001","19.1387","0.0015","22.1493","0.0016","90","","102.943","0.003","90","","5399.8","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H64 Co I N P3 Si -","- C63 H64 Co I N P3 Si -","- C252 H256 Co4 I4 N4 P12 Si4 -","4","1","","M.T. Whited; E. Rivard; J.C. Peters","","Chemical Communications","2006","","","","","10.1039/b516046d","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100864","10.8604","0.0017","20.831","0.003","23.586","0.004","72.318","0.003","83.313","0.003","89.88","0.003","5046.3","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.5 H61 Cl Fe N P3 Si -","- C56.5 H61 Cl Fe N P3 Si -","- C226 H244 Cl4 Fe4 N4 P12 Si4 -","4","2","","M.T.Whited; E.Rivard; J.C.Peters","","Chemical Communications","2006","","","","","10.1039/b516046d","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100865","9.793","0.003","9.371","0.003","44.61","0.012","90","","94.581","0.004","90","","4080.9","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H50 Cl Fe N P2 Si -","- C45 H50 Cl Fe N P2 Si -","- C180 H200 Cl4 Fe4 N4 P8 Si4 -","4","1","","M.T. Whited; E. Rivard; J.C. Peters","","Chemical Communications","2006","","","","","10.1039/b516046d","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100866","11.6071","0.0008","21.6762","0.0015","16.8895","0.0012","90","","92.988","0.002","90","","4243.6","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H54 Co I N O P2 Si -","- C43 H54 Co I N O P2 Si -","- C172 H216 Co4 I4 N4 O4 P8 Si4 -","4","1","","M.T. Whited; E. Rivard; J.C. Peters","","Chemical Communications","2006","","","","","10.1039/b516046d","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100867","12.8058","0.0015","17.612","0.002","20.505","0.003","93.701","0.004","91.736","0.004","103.463","0.004","4483.4","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H52 Cl Co N P3 Si -","- C51 H52 Cl Co N P3 Si -","- C204 H208 Cl4 Co4 N4 P12 Si4 -","4","2","","M.T. Whited; E. Rivard; J.C. Peters","","Chemical Communications","2006","","","","","10.1039/b516046d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100868","9.153","0.005","18.797","0.005","17.026","0.005","90","","90.88","0.005","90","","2929","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 N O9 P Ru3 -","- C27 H16 N O9 P Ru3 -","- C108 H64 N4 O36 P4 Ru12 -","4","1","","Carlo Mealli; Antonio Tiripicchio; Andrew D. Phillips; Giovanni Predieri; Roberto Pattacini","Experimental and Computational Studies on the Solvent-controlled Cluster Isomerism of Ru3(H)(CO)9(NPPh3) and Related Dynamics","Chemical Communications","2006","","","","","10.1039/b516137a","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100869","9.3591","0.001","17.6646","0.001","18.1015","0.001","90","","100.1","0.01","90","","2946.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 N O9 P Ru3 -","- C27 H16 N O9 P Ru3 -","- C108 H64 N4 O36 P4 Ru12 -","4","1","","Carlo Mealli; Antonio Tiripicchio; Andrew D. Phillips; Giovanni Predieri; Roberto Pattacini","Experimental and Computational Studies on the Solvent-controlled Cluster Isomerism of Ru3(H)(CO)9(NPPh3) and Related Dynamics","Chemical Communications","2006","","","","","10.1039/b516137a","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100870","14.276","0.0008","14.2485","0.0008","22.6565","0.0013","90","","92.136","0.002","90","","4605.4","0.5","100","2","100","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C16 H14 -","- C16 H14 -","- C256 H224 -","16","4","","Jack Saltiel; Ronald J. Clark; Tallapragada S. R. Krishna; Andrzej M. Turek","Photoisomerization of cis,cis-1,4-diphenyl-1,3-butadiene in glassy media at 77 K: The Bicycle-Pedal mechanism","Chemical Communications","2006","","","","","10.1039/b516319f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100871","11.7478","0.0015","11.7478","0.0015","85.034","0.01","90","","90","","120","","10163","2","90","2","90","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C42 H72 F12 I8 K2 N4 O12 -","- C42 H72 F12 I8 K2 N4 O12 -","- C252 H432 F72 I48 K12 N24 O72 -","6","0.166667","","Giuseppe Resnati; Rosalba Liantonio; Pierangelo Metrangolo; Franck Meyer; Tullio Pilati","Metric engineering of supramolecular borromean rings","Chemical Communications","2006","","","","","10.1039/b516730b","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100872","11.861","0.002","11.861","0.002","17.319","0.003","90","","90","","120","","2110.1","0.6","90","2","90","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H72 F36 I8 K2 N4 O12 -","- C54 H72 F36 I8 K2 N4 O12 -","- C54 H72 F36 I8 K2 N4 O12 -","1","0.166667","","Giuseppe Resnati; Rosalba Liantonio; Pierangelo Metrangolo; Franck Meyer; Tullio Pilati","Metric engineering of supramolecular borromean rings","Chemical Communications","2006","","","","","10.1039/b516730b","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100873","22.74","0.013","4.171","0.002","12.472","0.007","90","","90","","90","","1183","1.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","CsBi3Se5","","","- Bi3 Cs Se5 -","- Bi3 Cs Se5 -","- Bi12 Cs4 Se20 -","4","0.5","","Mercouri Kanatzidis; Duck-Young Chung; Jun-Ho Kim","A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M = Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6, CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13","Chemical Communications","2006","","","","","10.1039/b516790f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100874","12.386","0.002","27.642","0.005","4.1107","0.0008","90","","90","","90","","1407.4","0.5","173","2","173","2","","","","","","","","4","P n n m","-P 2 2n","58","Rb2Ag1.5Bi7.5Se13","","","- Ag1.5 Bi7.5 Rb2 Se13 -","- Ag1.49 Bi7.51 Rb2 Se13 -","- Ag2.98 Bi15.02 Rb4 Se26 -","2","0.25","","Mercouri Kanatzidis; Duck-Young Chung; Jun-Ho Kim","A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M = Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6, CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13","Chemical Communications","2006","","","","","10.1039/b516790f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100875","12.385","0.003","23.839","0.006","4.1124","0.001","90","","90","","90","","1214.1","0.5","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","Rb2CdBi6Se11","","","- Bi6 Cd Rb2 Se11 -","- Bi6.023 Cd0.97 Rb2 Se11 -","- Bi12.046 Cd1.94 Rb4 Se22 -","2","0.25","","Mercouri Kanatzidis; Duck-Young Chung; Jun-Ho Kim","A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M = Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6, CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13","Chemical Communications","2006","","","","","10.1039/b516790f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100876","26.512","0.008","4.1192","0.0013","12.396","0.004","90","","90","","90","","1353.7","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","CsCdBi3Se6","","","- Bi3 Cd Cs Se6 -","- Bi3.011 Cd0.99 Cs Se6 -","- Bi12.044 Cd3.96 Cs4 Se24 -","4","0.5","","Mercouri Kanatzidis; Duck-Young Chung; Jun-Ho Kim","A New Homologous Series A2[M5+nSe9+n] (A = Rb, Cs; M = Bi, Ag, Cd) and its members ?-CsBi3Se5, Rb2CdBi6Se11, CsAg0.5Bi3.5Se6, CsCdBi3Se6, Rb2Ag1.5Bi7.5Se13, and Cs2Ag1.5Bi7.5Se13","Chemical Communications","2006","","","","","10.1039/b516790f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100877","38.868","0.006","11.1527","0.0016","8.2788","0.0012","90","","95.033","0.003","90","","3574.9","0.9","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Au N4 O5 Se8 -","- C28 H28 Au N4 O5 Se8 -","- C112 H112 Au4 N16 O20 Se32 -","4","1","","Takashi Shirahata; Tatsuro Imakubo; Megumi Kibune","New ambient pressure organic superconductors kH- and kL-(DMEDO-TSeF)2[Au(CN)4](THF)","Chemical Communications","2006","","","","","10.1039/b516940b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180110","2020-10-21","18:00:00",""
"7100878","8.3269","0.0013","38.638","0.006","11.1203","0.0017","90","","90","","90","","3577.8","0.9","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H28 Au N4 O5 Se8 -","- C28 H20 Au N4 O5 Se8 -","- C112 H80 Au4 N16 O20 Se32 -","4","0.5","","Takashi Shirahata; Tatsuro Imakubo; Megumi Kibune","New ambient pressure organic superconductors kH- and kL-(DMEDO-TSeF)2[Au(CN)4](THF)","Chemical Communications","2006","","","","","10.1039/b516940b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100879","19.861","0.003","19.861","0.003","17.094","0.004","90","","90","","120","","5839.8","1.7","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C92 H68 Cu6 N18 O2 S7 -","- C92.04 H66.12 Cu6 N18 O2.04 S7.02 -","- C184.08 H132.24 Cu12 N36 O4.08 S14.04 -","2","0.166667","","Duan Chun-Ying; Yan Bai; Dong-Bin Dang; Guang-Jie He; Qing-Jin Meng; Yong-Gang Zhao","Porous Material for Aborption and Luminescent Detection of Aromatic Molecules in Water","Chemical Communications","2006","","","","","10.1039/b517002h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100880","4.2359","0.0008","49.029","0.009","5.5087","0.0011","90","","92.78","0.004","90","","1142.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N6 O6 -","- C24 H24 N6 O6 -","- C48 H48 N12 O12 -","2","0.5","","C. Aakeroy; John Desper; Benjamin M. T. Scott","Balancing supramolecular reagents for reliable formation of co-crystals","Chemical Communications","2006","","","","","10.1039/b517118k","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100881","9.5363","0.0009","7.3143","0.0006","17.658","0.0015","90","","96.13","0.007","90","","1224.63","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N6 O6 -","- C26 H28 N6 O6 -","- C52 H56 N12 O12 -","2","0.5","","C. Aakeroy; John Desper; Benjamin M. T. Scott","Balancing supramolecular reagents for reliable formation of co-crystals","Chemical Communications","2006","","","","","10.1039/b517118k","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100882","9.0434","0.0008","10.5552","0.0009","17.4323","0.0015","101.807","0.001","102.126","0.001","94.37","0.001","1580.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C72 H68 N12 O12 -","4","2","","C. Aakeroy; John Desper; Benjamin M. T. Scott","Balancing supramolecular reagents for reliable formation of co-crystals","Chemical Communications","2006","","","","","10.1039/b517118k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100883","4.3453","0.0007","10.8147","0.0017","34.003","0.005","90","","90.541","0.002","90","","1597.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F N3 O3 -","- C18 H16 F N3 O3 -","- C72 H64 F4 N12 O12 -","4","1","","C. Aakeroy; John Desper; Benjamin M. T. Scott","Balancing supramolecular reagents for reliable formation of co-crystals","Chemical Communications","2006","","","","","10.1039/b517118k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180110","2020-10-21","18:00:00",""
"7100884","10.1099","0.0006","11.2823","0.0009","24.199","0.003","90","","90.774","0.007","90","","2760","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 F6 Fe N7 O6 S2 -","- C19 H31 F6 Fe N7 O6 S2 -","- C76 H124 F24 Fe4 N28 O24 S8 -","4","1","","Pitarch Lopez, J.; Kampf, H.; Heinemann, F. W.; Prakash, R.; Grohmann, A.","A non-heme dinuclear iron(II) complex containing a single, unsupported hydroxo bridge","Chemical Communications","2006","","","","","10.1039/b517635b","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7100885","15.094","0.001","15.094","0.001","8.1109","0.0004","90","","90","","90","","1847.9","0.2","100","2","100","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C26 H51 Br Cl2 Fe2 N10 O9 -","- C26 H51 Br Cl2 Fe2 N10 O9 -","- C52 H102 Br2 Cl4 Fe4 N20 O18 -","2","0.25","","Pitarch Lopez, J.; Kampf, H.; Heinemann, F. W.; Prakash, R.; Grohmann, A.","A non-heme dinuclear iron(II) complex containing a single, unsupported hydroxo bridge","Chemical Communications","2006","","","","","10.1039/b517635b","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100886","13.163","0.001","13.629","0.001","21.637","0.002","75.219","0.004","78.293","0.005","63.403","0.005","3338.3","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H94 B2 K2 N14 O7 -","- C56 H94 B2 K2 N14 O7 -","- C112 H188 B4 K4 N28 O14 -","2","1","","Malcolm Chisholm; Judith C. Gallucci; Gulsah Yaman","A Tris-pyrazolylborate Ligand with Hemilabile O-Donor Groups. Examples of ?3, ?5, ?6 and Bridging Modes of Bonding to Li+, Na+, K+, Tl+ and Ca2+ Ions","Chemical Communications","2006","","","","","10.1039/b517640a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100887","13.3825","0.001","18.57","0.002","14.715","0.002","90","","97.993","0.006","90","","3621.3","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 B N8 Na O4 -","- C32 H52 B N8 Na O4 -","- C128 H208 B4 N32 Na4 O16 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b517640a","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100888","22.056","0.002","22.056","0.002","22.056","0.002","90","","90","","90","","10729.5","1.7","200","2","200","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C24 H40 B N6 Na O3 -","- C24 H40 B N6 Na O3 -","- C384 H640 B16 N96 Na16 O48 -","16","0.333333","","","","Chemical Communications","2006","","","","","10.1039/b517640a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100889","15.072","0.002","15.072","0.002","15.072","0.002","90","","90","","90","","3423.8","0.8","150","2","150","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C24 H40 B Ca I N6 O3 -","- C24 H40 B Ca I N6 O3 -","- C96 H160 B4 Ca4 I4 N24 O12 -","4","0.333333","","","","Chemical Communications","2006","","","","","10.1039/b517640a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100890","7.87","0.001","14.415","0.001","24.533","0.003","90","","90","","90","","2783.2","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 B N6 O3 Tl -","- C24 H40 B N6 O3 Tl -","- C96 H160 B4 N24 O12 Tl4 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b517640a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277873","2022-09-15","11:31:04",""
"7100891","11.365","0.002","14.028","0.002","22.125","0.003","90","","103.156","0.008","90","","3434.8","0.9","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H50 B Li N8 O4 -","- C31 H50 B Li N8 O4 -","- C124 H200 B4 Li4 N32 O16 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b517640a","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100892","12.0582","0.001","16.6298","0.0014","19.1898","0.0016","107.95","0.002","99.351","0.002","108.111","0.002","3334.4","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H96 Cl4 N3 Na O21 -","- C58 H70 Cl4 N3 Na O21 -","- C116 H140 Cl8 N6 Na2 O42 -","2","1","","S.J. Loeb; J. Tiburcio; S.J. Vella","Conformational isomerism in unsymmetrical [2]rotaxanes as a form of mechanical ?flip? switch","Chemical Communications","2006","","","","","10.1039/b517642e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100893","9.1431","0.0004","9.832","0.0005","11.071","0.0005","90","","112.697","0.001","90","","918.15","0.07","173","2","173","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10 H18 Al Cl4 P2 Sb -","- C10 H18 Al Cl4 P2 Sb -","- C20 H36 Al2 Cl8 P4 Sb2 -","2","0.5","","C. Russell; Cheryl Fish; Michael Green; John C. Jeffery; Richard J. Kilby; Jason Martin Lynam; J. McGrady; Dimitrios Pantazis; Charlotte E. Willans","Cationic phosphorus/carbon/pnictogen cages isolobal to [C5R5]+","Chemical Communications","2006","","","","","10.1039/b517710c","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100894","19.1632","0.0008","9.6826","0.0004","20.952","0.0009","90","","101.253","0.001","90","","3812.9","0.3","173","2","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Al As Cl4 P2 -","- C10 H18 Al As Cl4 P2 -","- C80 H144 Al8 As8 Cl32 P16 -","8","1","","C. Russell; Cheryl Fish; Michael Green; John C. Jeffery; Richard J. Kilby; Jason Martin Lynam; J. McGrady; Dimitrios Pantazis; Charlotte E. Willans","Cationic phosphorus/carbon/pnictogen cages isolobal to [C5R5]+","Chemical Communications","2006","","","","","10.1039/b517710c","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100895","12.052","0.007","11.18","0.006","11.965","0.007","90","","97.78","0.01","90","","1597.2","1.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 -","- C19 H24 N2 -","- C76 H96 N8 -","4","1","","M. Nonnenmacher; D. Kunz; F. Rominger; T. Oeser","First X-ray Crystal Structures of 10π- and 14π-electron Pyrido-annelated N- heterocyclic Carbenes","Chemical Communications","2006","","","","","10.1039/b517816a","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100896","10.0322","0.0003","13.6913","0.0003","10.4751","0.0003","90","","92.964","0.002","90","","1436.87","0.07","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H8 N2 -","- C8 H8 N2 -","- C64 H64 N16 -","8","4","","M. Nonnenmacher; D. Kunz; F. Rominger; T. Oeser","First X-ray Crystal Structures of 10π- and 14π-electron Pyrido-annelated N- heterocyclic Carbenes","Chemical Communications","2006","","","","","10.1039/b517816a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180110","2020-10-21","18:00:00",""
"7100897","12.814","0.0007","11.3396","0.0006","15.5221","0.0008","90","","92.432","0.001","90","","2253.4","0.2","273","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 O6 S2 -","- C23 H30 O6 S2 -","- C92 H120 O24 S8 -","4","1","","John Reynolds; Khalil Abboud; J.S.Cowart Junior; Ryan M. Walczak","Conformational Locking for Band Gap Control in 3,4-Propylenedioxythiophene Based Electrochromic Polymers","Chemical Communications","2006","","","","","10.1039/b517819c","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100898","13.8245","0.0012","14.1393","0.0012","17.9268","0.0015","70.554","0.002","89.38","0.002","71.177","0.002","3109.2","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Salentripod","","","- C70 H89 N3 O6 -","- C70 H86 N3 O6 -","- C140 H172 N6 O12 -","2","1","","Michael Scott; Eric R. Libra","Metal salen complexes incorporating triphenoxymethanes: Efficient, size selective anion binding by phenolic donors with a visual report","Chemical Communications","2006","","","","","10.1039/b517944k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100899","13.18","0.0009","13.7606","0.001","20.2871","0.0014","83.267","0.001","77.17","0.001","66.1","0.001","3278.4","0.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","Chiral Ni Salen Tripd","","","- C72 H90 N4 Ni O6 -","- C35.5 H42 N1.75 Ni0.5 O3 -","- C142 H168 N7 Ni2 O12 -","4","4","","Michael Scott; Eric R. Libra","Metal salen complexes incorporating triphenoxymethanes: Efficient, size selective anion binding by phenolic donors with a visual report","Chemical Communications","2006","","","","","10.1039/b517944k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100900","16.6011","0.0011","21.7001","0.0015","23.4994","0.0016","71.38","0.001","86.289","0.001","71.152","0.001","7585.3","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","PdSalen tripdod","","","- C72 H94 N2 O7 Pd -","- C68 H82 N2 O6 Pd -","- C272 H328 N8 O24 Pd4 -","4","2","","Michael Scott; Eric R. Libra","Metal salen complexes incorporating triphenoxymethanes: Efficient, size selective anion binding by phenolic donors with a visual report","Chemical Communications","2006","","","","","10.1039/b517944k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100901","13.7248","0.0009","17.0299","0.0011","22.1543","0.0014","71.408","0.001","89.085","0.001","72.851","0.001","4672.3","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","NiSalenFluorideComplex","","","- C88 H130 F N3 Ni O7 -","- C84 H118 F N3 Ni O6 -","- C168 H236 F2 N6 Ni2 O12 -","2","1","","Michael Scott; Eric R. Libra","Metal salen complexes incorporating triphenoxymethanes: Efficient, size selective anion binding by phenolic donors with a visual report","Chemical Communications","2006","","","","","10.1039/b517944k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100902","21.1864","0.0018","13.1927","0.0009","21.8095","0.0017","90","","112.833","0.008","90","","5618.2","0.8","97","2","97","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H77 Al N2 O2 Pd2 Si4 -","- C45 H77 Al N2 O2 Pd2 Si4 -","- C180 H308 Al4 N8 O8 Pd8 Si16 -","4","1","","Andreas Kempter; Christian Gemel; Roland Fischer","The Al(I) Bis-Imimidinate Al(DDP) as a metalloid NHC type ligand for Pd(0) complexes and clusters","Chemical Communications","2006","","","","","10.1039/b518065a","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100903","23.511","0.014","13.358","0.003","25.139","0.008","90","","112.74","0.04","90","","7281","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H107 Al Ga4 N2 Pd2 -","- C75 H107 Al Ga4 N2 Pd2 -","- C300 H428 Al4 Ga16 N8 Pd8 -","4","1","","Andreas Kempter; Christian Gemel; Roland Fischer","The Al(I) Bis-Imimidinate Al(DDP) as a metalloid NHC type ligand for Pd(0) complexes and clusters","Chemical Communications","2006","","","","","10.1039/b518065a","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100904","9.6404","0.0004","20.7836","0.0009","24.7602","0.0012","90","","96.761","0.002","90","","4926.5","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H72 Sb3 Si6 Tl3 -","- C24 H72 Sb3 Si6 Tl3 -","- C96 H288 Sb12 Si24 Tl12 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b518072d","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100905","18.754","0.004","21.528","0.004","21.625","0.004","60.63","0.03","74.65","0.03","72.93","0.03","7197","2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H82 Br8 N13 Nd3 O40 Zn4 -","- C92 H82 Br7.99 N13 Nd3 O40 Zn4 -","- C184 H164 Br15.98 N26 Nd6 O80 Zn8 -","2","1","","R. Jones; Archie L. Holmes; Michael M. Oye; Wai-Kwok Wong.; Xiaoping Yang.","Design and Synthesis of a Near Infra-Red Luminescent Hexanuclear Zn-Nd Prism","Chemical Communications","2006","","","","","10.1039/b518128c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100906","16.6925","0.0007","18.5411","0.0005","35.626","0.001","90","","99.644","0.003","90","","10870.3","0.6","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C82 F36 -","- C82 F36 -","- C656 F288 -","8","1","","Sergey Troyanov; Stanislav M. Avdoshenko; Anton Dimitrov; Alexey A. Goryunkov; Daria V. Ignateva; Iiya N. Ioffe; Erhard Kemnitz; L. N. Sidorov; Nadezhda B. Tamm","Preparation, crystallographic characterization and theoretical study of two isomers of C70(CF3)12","Chemical Communications","2006","","","","","10.1039/b518422c","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100907","14.532","0.001","21.131","0.002","18.11","0.001","90","","98.56","0.01","90","","5499.2","0.7","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C82 F36 -","- C82 F36 -","- C328 F144 -","4","1","","Sergey Troyanov; Stanislav M. Avdoshenko; Anton Dimitrov; Alexey A. Goryunkov; Daria V. Ignateva; Iiya N. Ioffe; Erhard Kemnitz; L. N. Sidorov; Nadezhda B. Tamm","Preparation, crystallographic characterization and theoretical study of two isomers of C70(CF3)12","Chemical Communications","2006","","","","","10.1039/b518422c","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100908","14.494","0.003","9.592","0.0019","14.163","0.003","90","","105.45","0.03","90","","1897.8","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H28 I N P2 Se2 -","- C12 H28 I N P2 Se2 -","- C48 H112 I4 N4 P8 Se8 -","4","1","","T. Chivers; Jari Konu; Heikki Tuononen","The Cyclic [N(PiPr2E)2]+ (E = Se, Te) Cations: A New Class of Inorganic Ring System","Chemical Communications","2006","","","","","10.1039/b600040a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100909","14.187","0.003","9.756","0.002","14.682","0.003","90","","108.6","0.03","90","","1926","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H28 I N P2 Te2 -","- C12 H28 I N P2 Te2 -","- C48 H112 I4 N4 P8 Te8 -","4","1","","T. Chivers; Jari Konu; Heikki Tuononen","The Cyclic [N(PiPr2E)2]+ (E = Se, Te) Cations: A New Class of Inorganic Ring System","Chemical Communications","2006","","","","","10.1039/b600040a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180111","2020-10-21","18:00:00",""
"7100910","31.0622","0.0007","31.0622","0.0007","31.0622","0.0007","90","","90","","90","","29970.7","1.2","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C10 H9.58 In N4 O9.58 -","- C10 H4 In N4 O14.5546 -","- C480 H192 In48 N192 O698.62 -","48","0.5","","Mohamed Eddaoudi; Victor Ch Krastov; Randy Larsena; Yunling Liu","Molecular building blocks approach to the assembly of zeolite-like metal-organic frameworks (ZMOFs) with extra-large cavities","Chemical Communications","2006","","","","","10.1039/b600188m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100911","36.0435","0.0011","36.0435","0.0011","36.0435","0.0011","90","","90","","90","","46825","2","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C10 H4 In N4 O8 -","- C10 H2 In N4 O11.9067 -","- C960 H192 In96 N384 O1143.04 -","96","0.5","","Mohamed Eddaoudi; Victor Ch Krastov; Randy Larsena; Yunling Liu","Molecular building blocks approach to the assembly of zeolite-like metal-organic frameworks (ZMOFs) with extra-large cavities","Chemical Communications","2006","","","","","10.1039/b600188m","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100912","6.6793","0.0014","8.117","0.002","9.238","0.002","69.157","0.013","69.931","0.019","81.34","0.02","439.42","0.19","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O8 -","- C20 H18 O8 -","- C20 H18 O8 -","1","0.5","","M. Bouvet; B. Malezieux; P. Herson","A Quinhydrone-Type 2:1 Acceptor-Donor Charge Transfer Complex Obtained Via a Solvent-free Reaction","Chemical Communications","2006","","","","","10.1039/b600345a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100913","20.876","0.0006","12.3647","0.0002","10.9125","0.0002","90","","90","","90","","2816.79","0.11","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","tetracobalt(ii)tetra-2-mercaptonicotinate hydrate","","","- C24 H14 Co4 N4 O9 S4 -","- C24 H14 Co4 N4 O9 S4 -","- C96 H56 Co16 N16 O36 S16 -","4","1","","Paul Wood; Antonio Alberola; Carlos J. Gomez Garcia; Simon Humphrey","A new Co(II) coordination solid with mixed oxygen, carboxylate, pyridine and thiolate donors exhibiting canted antiferromagnetism with TC ? 68 K.","Chemical Communications","2006","","","","","10.1039/b600347h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100914","16.0309","0.0012","10.6848","0.0008","7.3246","0.0005","90","","111.45","0.001","90","","1167.71","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dibromophloroglucinol, tetrahydrate","","","- C6 H12 Br2 O7 -","- C6 H12 Br2 O7 -","- C24 H48 Br8 O28 -","4","0.5","","A. Nangia; Binoy K. Saha","First example of ice-like boat water hexamer tape structure in a supramolecular organic host","Chemical Communications","2006","","","","","10.1039/b600348f","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100915","16.135","0.004","10.74","0.002","7.439","0.0017","90","","111.354","0.003","90","","1200.5","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dibromophloroglucinol, tetrahydrate","","","- C6 H12 Br2 O7 -","- C6 H12 Br2 O7 -","- C24 H48 Br8 O28 -","4","0.5","","A. Nangia; Binoy K. Saha","First example of ice-like boat water hexamer tape structure in a supramolecular organic host","Chemical Communications","2006","","","","","10.1039/b600348f","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100916","5.4011","0.0005","12.8974","0.0013","10.9478","0.0011","90","","90","","90","","762.63","0.13","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","dibromophloroglucinol","","","- C6 H4 Br2 O3 -","- C6 H4 Br2 O3 -","- C24 H16 Br8 O12 -","4","0.5","","A. Nangia; Binoy K. Saha","First example of ice-like boat water hexamer tape structure in a supramolecular organic host","Chemical Communications","2006","","","","","10.1039/b600348f","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100917","13.2565","0.0014","13.3978","0.0014","14.8122","0.0016","75.423","0.002","87.871","0.002","88.046","0.002","2543.5","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H100 Cl4 Fe2 N8 Na2 O6 -","- C118 H100 Cl4 Fe2 N8 Na2 O6 -","- C118 H100 Cl4 Fe2 N8 Na2 O6 -","1","0.5","","Chen-Hsiung Hung; Chia-Hou Chang; Wei-Ming Ching; Chuan-Hung Chuang","Molecular Assembling Using Axial Phenolate on Iron N-Confused Porphyrin Complex","Chemical Communications","2006","","","","","10.1039/b600423g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100918","9.663","0.003","14.7448","0.0017","16.435","0.003","90","","90","","90","","2341.6","0.8","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H4 Br F6 I O -","- C9 H4 Br F6 I O -","- C72 H32 Br8 F48 I8 O8 -","8","1","","C.Braddock; Gemma Cansell; Stephen Hermitage; Andrew J. P. White","Bromoiodinanes with an I(III)-Br bond: preparation, X-ray crystallography and reactivity as electrophilic brominating agents","Chemical Communications","2006","","","","","10.1039/b600455e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100919","8.115","0.002","8.2108","0.0017","9.1784","0.0019","106.812","0.012","91.202","0.018","114","0.02","528.1","0.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Br I O -","- C9 H10 Br I O -","- C18 H20 Br2 I2 O2 -","2","1","","C.Braddock; Gemma Cansell; Stephen Hermitage; Andrew J. P. White","Bromoiodinanes with an I(III)-Br bond: preparation, X-ray crystallography and reactivity as electrophilic brominating agents","Chemical Communications","2006","","","","","10.1039/b600455e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100920","6.076","0.001","13.777","0.003","17.439","0.003","90","","90","","90","","1459.74","0.51","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Xie, Jian-Wu; Yue, Lei; Xue, Dong; Ma, Xiao-Li; Chen, Ying-Chun; Wu, Yong; Zhu, Jin; Deng, Jin-Gen","Organocatalytic and Direct Asymmetric Vinylogous Michael Addition of α,α-Dicyanoolefins to α,β-Unsaturated Aldehydes","Chemical Communications","2006","","","1563","1565","10.1039/b600647g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100921","7.534","0.001","7.61","0.001","12.685","0.001","90","","97.25","0.01","90","","721.52","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C32 H28 N4 O2 S2 -","2","1","","Xie, Jian-Wu; Yue, Lei; Xue, Dong; Ma, Xiao-Li; Chen, Ying-Chun; Wu, Yong; Zhu, Jin; Deng, Jin-Gen","Organocatalytic and Direct Asymmetric Vinylogous Michael Addition of α,α-Dicyanoolefins to α,β-Unsaturated Aldehydes","Chemical Communications","2006","","","1563","1565","10.1039/b600647g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100922","15.603","0.004","6.159","0.001","18.04","0.004","90","","97.72","0.02","90","","1717.96","0.73","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Xie, Jian-Wu; Yue, Lei; Xue, Dong; Ma, Xiao-Li; Chen, Ying-Chun; Wu, Yong; Zhu, Jin; Deng, Jin-Gen","Organocatalytic and Direct Asymmetric Vinylogous Michael Addition of α,α-Dicyanoolefins to α,β-Unsaturated Aldehydes","Chemical Communications","2006","","","1563","1565","10.1039/b600647g","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7100923","8.1239","0.0014","10.7442","0.0019","13.125","0.002","86.419","0.015","76.057","0.013","74.297","0.013","1070.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H14 F6 O2 S2 -","- C23 H14 F6 O2 S2 -","- C46 H28 F12 O4 S4 -","2","1","","Sung Yang.; Kwang-Hyun Ahn.; Yong-Chul Jeong.; Eunkyoung Kim.","Fatigue-resistant photochromic dithienylethenes by controlling the oxidation state","Chemical Communications","2006","","","","","10.1039/b600754f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100924","13.078","0.003","6.433","0.002","22.41","0.006","90","","105.828","0.017","90","","1814","0.9","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F6 O2 S2 -","- C17 H14 F6 O2 S2 -","- C68 H56 F24 O8 S8 -","4","1","","Sung Yang.; Kwang-Hyun Ahn.; Yong-Chul Jeong.; Eunkyoung Kim.","Fatigue-resistant photochromic dithienylethenes by controlling the oxidation state","Chemical Communications","2006","","","","","10.1039/b600754f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100925","26.268","0.0006","18.9292","0.0005","16.8729","0.0004","90","","118.462","0.001","90","","7375.7","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C108 H151 Fe9 N12 O39 P8 -","- C108 H151.004 Fe9 N12 O39.002 P8 -","- C216 H302.008 Fe18 N24 O78.004 P16 -","2","0.5","","Li-Min Zheng.; Silvio Decurtins; Wenxin Du.; Yi-Zhi Li.; Y.-S.Ma; You Song.; O. Waldmann; Jun-Jie Wang.; Xin-Quan Xin.; H.-C. Yao","An iron(III) phosphonate cluster containing a nonanuclear ring","Chemical Communications","2006","","","","","10.1039/b600763e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180111","2020-10-21","18:00:00",""
"7100926","27.3274","0.0005","27.5977","0.0005","32.1815","0.0007","100.824","0.001","91.953","0.001","107.373","0.001","22645.7","0.8","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C130 H154.75 N46.25 O98.5 Pd6 -","- C130.086 H154.724 N46.2575 O98.752 Pd6 -","- C520.344 H618.896 N185.03 O395.008 Pd24 -","4","2","","Kanji Takaoka; Masaki Kawano; Tomoji Ozeki; Makoto Fujita","Crystallographic Observation of a Solution-like Olefin Photodimerization Reaction That Takes Place within the Void of a Self-Assembled Host","Chemical Communications","2006","","","","","10.1039/b600812g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100927","25.6693","0.0006","25.7817","0.0009","31.9954","0.0011","97.7021","0.0012","96.5334","0.0009","101.117","0.003","20376.3","1.1","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C130.5 H155 N41 O53.5 Pd6 -","- C130.44 H154.96 N40.8875 O53.3475 Pd6 -","- C521.76 H619.84 N163.55 O213.39 Pd24 -","4","2","","Kanji Takaoka; Masaki Kawano; Tomoji Ozeki; Makoto Fujita","Crystallographic Observation of a Solution-like Olefin Photodimerization Reaction That Takes Place within the Void of a Self-Assembled Host","Chemical Communications","2006","","","","","10.1039/b600812g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100928","25.816","0.019","26.026","0.019","31.71","0.02","97.028","0.011","96.869","0.011","102.157","0.011","20436","26","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C130.5 H155 N41 O53.5 Pd6 -","- C126.266 H152.208 N38 O50.125 Pd6 -","- C505.064 H608.832 N152 O200.5 Pd24 -","4","2","","Kanji Takaoka; Masaki Kawano; Tomoji Ozeki; Makoto Fujita","Crystallographic Observation of a Solution-like Olefin Photodimerization Reaction That Takes Place within the Void of a Self-Assembled Host","Chemical Communications","2006","","","","","10.1039/b600812g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100929","10.672","0.003","13.588","0.004","18.468","0.006","72.022","0.004","87.112","0.004","80.639","0.004","2513.3","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H78 Al N3 O Si2 -","- C46 H78 Al N3 O Si2 -","- C92 H156 Al2 N6 O2 Si4 -","2","1","","Chunming Cui; Xiaofei Li; Haibin Song; Jianyang Zhang","Formation of Aluminacyclobutenes via Carbon Monoxide and Isocyanide Insertion","Chemical Communications","2006","","","","","10.1039/b601056c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100930","7.3887","0.0002","7.3887","0.0002","13.0436","0.0007","90","","90","","120","","616.69","0.04","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","erbium(iii)-hexacyanocobaltate(iii)","","","- C6 Co Er N6 -","- C6 Co Er N6 -","- C12 Co2 Er2 N12 -","2","0.0833333","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100931","7.3863","0.0002","7.3863","0.0002","13.0391","0.0006","90","","90","","120","","616.07","0.04","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","erbium(iii)-hexacyanocobaltate(iii)","","","- C6 Co Er N6 -","- C6 Co Er N6 -","- C12 Co2 Er2 N12 -","2","0.0833333","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100932","7.3828","0.0002","7.3828","0.0002","13.0303","0.0006","90","","90","","120","","615.07","0.04","225","2","225","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","erbium(iii)-hexacyanocobaltate(iii)","","","- C6 Co Er N6 -","- C6 Co Er N6 -","- C12 Co2 Er2 N12 -","2","0.0833333","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100933","7.3782","0.0002","7.3782","0.0002","13.0222","0.0006","90","","90","","120","","613.93","0.04","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","erbium(iii)-hexacyanocobaltate(iii)","","","- C6 Co Er N6 -","- C6 Co Er N6 -","- C12 Co2 Er2 N12 -","2","0.0833333","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100934","7.3719","0.0002","7.3719","0.0002","13.0109","0.0007","90","","90","","120","","612.35","0.04","375","2","375","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","erbium(iii)-hexacyanocobaltate(iii)","","","- C6 Co Er N6 -","- C6 Co Er N6 -","- C12 Co2 Er2 N12 -","2","0.0833333","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100935","7.2835","0.0011","12.5836","0.0019","13.462","0.002","90","","90","","90","","1233.8","0.3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","erbium(iii)-hexacyanocobaltate(iii)tetrahydrate","","","- C6 H8 Co Er N6 O4 -","- C6 H8 Co Er N6 O4 -","- C24 H32 Co4 Er4 N24 O16 -","4","0.25","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100936","7.2858","0.0012","12.601","0.002","13.469","0.002","90","","90","","90","","1236.5","0.3","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","erbium(iii)-hexacyanocobaltate(iii)tetrahydrate","","","- C6 H8 Co Er N6 O4 -","- C6 H8 Co Er N6 O4 -","- C24 H32 Co4 Er4 N24 O16 -","4","0.25","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100937","7.2828","0.0012","12.623","0.002","13.471","0.002","90","","90","","90","","1238.4","0.3","225","2","225","2","","","","","","","","6","C m c m","-C 2c 2","63","erbium(iii)-hexacyanocobaltate(iii)tetrahydrate","","","- C6 H8 Co Er N6 O4 -","- C6 H8 Co Er N6 O4 -","- C24 H32 Co4 Er4 N24 O16 -","4","0.25","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100938","7.2765","0.001","12.6476","0.0018","13.4804","0.0018","90","","90","","90","","1240.6","0.3","300","2","300","2","","","","","","","","6","C m c m","-C 2c 2","63","erbium(iii)-hexacyanocobaltate(iii)tetrahydrate","","","- C6 H8 Co Er N6 O4 -","- C6 H8 Co Er N6 O4 -","- C24 H32 Co4 Er4 N24 O16 -","4","0.25","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100939","7.275","0.003","12.687","0.005","13.487","0.005","90","","90","","90","","1244.8","0.8","375","2","375","2","","","","","","","","6","C m c m","-C 2c 2","63","erbium(iii)-hexacyanocobaltate(iii)tetrahydrate","","","- C6 H8 Co Er N6 O4 -","- C6 H8 Co Er N6 O4 -","- C24 H32 Co4 Er4 N24 O16 -","4","0.25","","T. Pretsch; K.W. Chapman; C.J. Kepert","Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformation and negative thermal expansion in ErIII[CoIII(CN)6]","Chemical Communications","2006","","","","","10.1039/b601344a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100940","8.87","0.0004","12.009","0.0009","12.744","0.0009","116.294","0.003","88.966","0.005","101.443","0.005","1189.07","0.13","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H42 Cl6 N8 S8 -","- C34 H42 Cl6 N8 S8 -","- C34 H42 Cl6 N8 S8 -","1","1","","Tohru Fukuyama; Mui Cheung; Fu She Han; Hiroyuki Osajima; Hidetoshi Tokuyama","Facile Synthesis of Chiral Cyclic Oligothiazolines: A Novel Structural Motif of Macrocyclic Molecule","Chemical Communications","2006","","","","","10.1039/b601628f","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100941","8.3755","0.0004","32.1025","0.0013","8.8634","0.0005","90","","90","","90","","2383.1","0.2","273","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K10 O2 Tl6 -","- K10 O2 Tl6 -","- K40 O8 Tl24 -","4","0.25","","A. Karpov; M. Jansen","A10Tl6O2 (A = K, Rb), cluster compounds combining structural features of thallium cluster anions and of alkali-metal suboxides","Chemical Communications","2006","","","","","10.1039/b601802e","","","","","","","","","","","","","","","","","","","","","has coordinates","208245","2020-10-21","18:00:00",""
"7100942","8.7176","0.0001","33.2934","0.0003","9.1242","0.0001","90","","90","","90","","2648.19","0.05","273","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- O2 Rb10 Tl6 -","- O2 Rb10 Tl6 -","- O8 Rb40 Tl24 -","4","0.25","","A. Karpov; M. Jansen","A10Tl6O2 (A = K, Rb), cluster compounds combining structural features of thallium cluster anions and of alkali-metal suboxides","Chemical Communications","2006","","","","","10.1039/b601802e","","","","","","","","","","","","","","","","","","","","","has coordinates","208245","2020-10-21","18:00:00",""
"7100943","8.7731","0.0007","25.689","0.002","11.033","0.0009","90","","101.834","0.004","90","","2433.7","0.3","423","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H52 N18 Nd2 O23 Ru3 -","- C24 H18 N18 Nd2 O23 Ru3 -","- C48 H36 N36 Nd4 O46 Ru6 -","2","0.5","","Mike Ward; Harry Adams; Stephen Faulkner; Juan-Manuel Herrera; Simon J. A. Pope","Polynuclear cyanoruthenate chromophores based on hexaaza-triphenylene containing up to twelve cyanides: photophysical and structural properties","Chemical Communications","2006","","","","","10.1039/b601876a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180111","2020-10-21","18:00:00",""
"7100944","10.668","0.002","14.692","0.003","17.074","0.003","105.32","0.03","98.94","0.03","107.5","0.03","2380","1.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 As2 I4 N3 -","- C33 H43 As2 I4 N3 -","- C66 H86 As4 I8 N6 -","2","1","","Alan H. Cowley; Gregor Reeske","Controlling the oxidation state of arsenic in cyclic arsenic cations","Chemical Communications","2006","","","","","10.1039/b602017h","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"7100945","25.951","0.005","23.306","0.005","17.579","0.004","90","","90","","90","","10632","4","153","2","153","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C37 H51 As Cl5 N3 O Sn -","- C37 H51 As Cl5 N3 O Sn -","- C296 H408 As8 Cl40 N24 O8 Sn8 -","8","1","","Alan H. Cowley; Gregor Reeske","Controlling the oxidation state of arsenic in cyclic arsenic cations","Chemical Communications","2006","","","","","10.1039/b602017h","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100946","18.497","0.004","15.947","0.003","20.677","0.004","90","","91.97","0.03","90","","6096","2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 As Cl5 N2 O Sn -","- C24 H32 As Cl5 N2 O Sn -","- C192 H256 As8 Cl40 N16 O8 Sn8 -","8","2","","Alan H. Cowley; Gregor Reeske","Controlling the oxidation state of arsenic in cyclic arsenic cations","Chemical Communications","2006","","","","","10.1039/b602017h","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7100947","12.2377","0.0008","16.666","0.0005","18.6127","0.001","74.003","0.009","86.643","0.011","81.395","0.007","3607.4","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C129 H84 Cl2 F36 N8 Nd2 O14 P4 Pt2 -","- C129 H80 Cl2 F36 N8 Nd2 O14 P4 Pt2 -","- C129 H80 Cl2 F36 N8 Nd2 O14 P4 Pt2 -","1","0.5","","Zhong-Ning Chen.; En Ma.; Lin-Xi Shi.; Qiao-Hua Wei.; Ha-Bing Xu.; Li-Yi Zhang","Diplatinum Alkynyl Chromophores as Sensitizers for Lanthanide Luminescence in Pt2Ln2 and Pt2Ln4 (Ln = Eu, Nd, Yb) Arrays with Acetylide-functionalized Bipyridine/Phenanthroline","Chemical Communications","2006","","","","","10.1039/b602222g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100948","12.2358","0.0005","16.5587","0.0001","18.6088","0.0003","74.044","0.006","86.762","0.007","81.395","0.006","3583.78","0.16","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C129 H84 Cl2 Eu2 F36 N8 O14 P4 Pt2 -","- C129 H80 Cl2 Eu2 F36 N8 O14 P4 Pt2 -","- C129 H80 Cl2 Eu2 F36 N8 O14 P4 Pt2 -","1","0.5","","Zhong-Ning Chen.; En Ma.; Lin-Xi Shi.; Qiao-Hua Wei.; Ha-Bing Xu.; Li-Yi Zhang","Diplatinum Alkynyl Chromophores as Sensitizers for Lanthanide Luminescence in Pt2Ln2 and Pt2Ln4 (Ln = Eu, Nd, Yb) Arrays with Acetylide-functionalized Bipyridine/Phenanthroline","Chemical Communications","2006","","","","","10.1039/b602222g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100949","27.918","0.009","28.632","0.008","26.513","0.008","90","","98.496","0.009","90","","20961","11","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C172 H99 Eu4 F72 N8 O25.5 P4 Pt2 -","- C172 H99 Eu4 F72 N8 O25.5 P4 Pt2 -","- C688 H396 Eu16 F288 N32 O102 P16 Pt8 -","4","0.5","","Zhong-Ning Chen.; En Ma.; Lin-Xi Shi.; Qiao-Hua Wei.; Ha-Bing Xu.; Li-Yi Zhang","Diplatinum Alkynyl Chromophores as Sensitizers for Lanthanide Luminescence in Pt2Ln2 and Pt2Ln4 (Ln = Eu, Nd, Yb) Arrays with Acetylide-functionalized Bipyridine/Phenanthroline","Chemical Communications","2006","","","","","10.1039/b602222g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101025","13.6537","0.0006","11.681","0.0004","18.7123","0.0005","90","","103.887","0.0019","90","","2897.17","0.18","123.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H72 Fe N7 Ni2 O15 -","- C58 H60 Fe N7 Ni2 O15 -","- C116 H120 Fe2 N14 Ni4 O30 -","2","0.5","","Masaaki Kojima; Tamami Kobayashi; Naohide Matsumoto; Hiromi Ohta; Nazzareno Re; Yukinari Sunatsuki; T. Yamaguchi","Ferro- and antiferromagnetic interactions in face-sharing trioctahedral NiIIMnIINiII and NiIIFeIIINiII complexes with the same 1 5/2 1 spin system","Chemical Communications","2006","","","","","10.1039/b517503h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101026","16.3186","0.0008","16.1878","0.0011","18.4263","0.0014","90","","108.443","0.003","90","","4617.5","0.5","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H52 Mn N6 Ni2 O7 -","- C53 H52 Mn N6 Ni2 O7 -","- C212 H208 Mn4 N24 Ni8 O28 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b517503h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101027","5.7176","0.0008","7.269","0.0008","14.901","0.002","78.13","0.01","84.33","0.01","88.32","0.01","603","0.1","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N O3 S -","- C14 H14 N O3 S -","- C28 H28 N2 O6 S2 -","2","1","","Yuji Mizobe; H. Ito; I. Hisaki; M. Miyata; Y. Hasegawa; N. Tohnai","A Novel Strategy for Fluorescence Enhancement in the Solid-State: Affording Rigidity to Fluorophores Packing","Chemical Communications","2006","","","","","10.1039/b517687e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101028","5.65","0.001","14.764","0.002","29.267","0.005","90","","94.34","0.01","90","","2434.4","0.7","213.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 N2 O6 S2 -","- C22 H32 N2 O6 S2 -","- C88 H128 N8 O24 S8 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b517687e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101029","12.258","0.005","14.979","0.006","15.422","0.006","93.365","0.004","103.919","0.005","100.868","0.005","2683","1","150.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C80 H80 Ag8 B6 F30 N32 O16 Si -","- C80 H80 Ag8 B6 F30 N32 O16 Si -","- C80 H80 Ag8 B6 F30 N32 O16 Si -","1","0.5","","Masahiko Maekawa; Susumu Kitagawa; T. Kuroda-Sowa; Megumu Munakata","Sandwich-shaped silver(I) metallomacrocycles: The first encapsulation of a XF62- (X=Si, Ge and Sn) anion into two Ag metallomacrocycles","Chemical Communications","2006","","","","","10.1039/b518411h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101030","12.269","0.005","14.97","0.006","15.408","0.006","93.424","0.004","103.894","0.004","100.832","0.005","2681","1","150.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C80 H80 Ag8 B6 F30 N32 O16 Si -","- C80 H80 Ag8 B6 F30 N32 O16 Si -","- C80 H80 Ag8 B6 F30 N32 O16 Si -","1","0.5","","","","Chemical Communications","2006","","","","","10.1039/b518411h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101031","12.252","0.006","14.989","0.007","15.436","0.007","93.406","0.004","103.691","0.005","100.946","0.006","2687","2","150.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C80 H80 Ag8 B6 F30 Ge N32 O16 -","- C80 H80 Ag8 B6 F30 Ge N32 O16 -","- C80 H80 Ag8 B6 F30 Ge N32 O16 -","1","0.5","","","","Chemical Communications","2006","","","","","10.1039/b518411h","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7101032","12.246","0.006","15.031","0.007","15.517","0.007","93.39","0.005","103.344","0.005","101.09","0.005","2711","2","150.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C80 H80 Ag8 B6 F30 N32 O16 Sn -","- C80 H80 Ag8 B6 F30 N32 O16 Sn -","- C80 H80 Ag8 B6 F30 N32 O16 Sn -","1","0.5","","","","Chemical Communications","2006","","","","","10.1039/b518411h","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"7101033","24.869","0.002","22.922","0.002","10.8407","0.0013","90","","90","","90","","6179.7","1.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H80 F12 N2 O18 P2 -","- C54 H80 F12 N2 O18 P2 -","- C216 H320 F48 N8 O72 P8 -","4","1","","Feihe Huang; Carla Slebodnick; Karen A. Switek; Harry W. Gibson","Bis(m-phenylene)-32-crown-10-based cryptand/diquat inclusion [2]complexes","Chemical Communications","2006","","","","","10.1039/b600227g","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7101034","20.776","0.005","21.001","0.007","19.8","0.004","90","","90","","90","","8639","4","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C34 H52 N10 O12 -","- C34 H52 N10 O12 -","- C272 H416 N80 O96 -","8","2","","H. Hailes; Abil Aliev; Peter N. Horton; M. Hursthouse; Valerie G. H. Lafitte","Highly Stable Cyclic Dimers Based on Noncovalent Interactions","Chemical Communications","2006","","","","","10.1039/b600459h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101035","14.3802","0.0003","20.4058","0.0004","37.9889","0.0007","90","","94.808","0.001","90","","11108.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104 H100 B2 Cu2 N8 O12 S2 -","- C104 H100 B2 Cu2 N8 O12 S2 -","- C416 H400 B8 Cu8 N32 O48 S8 -","4","1","","Craig Rice; Georgios Bokolinis; Lindsay P. Harding; J. Jeffery; Neil McLay; T. Riis-Johannessen","Facile Interconversion of Dinuclear Double Helicates and Side-by-Side Species: A Reprogrammable Ligand with Potential Sensor Applications.","Chemical Communications","2006","","","","","10.1039/b600597g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180112","2020-10-21","18:00:00",""
"7101036","11.5874","0.0007","12.9425","0.0008","16.198","0.001","86.496","0.002","88.891","0.002","66.515","0.002","2223.8","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H84 Ba2 Cl6 Cu2 N12 O38 S2 -","- C64 H72 Ba2 Cl6 Cu2 N12 O36 S2 -","- C64 H72 Ba2 Cl6 Cu2 N12 O36 S2 -","1","0.5","","Craig Rice; Georgios Bokolinis; Lindsay P. Harding; J. Jeffery; Neil McLay; T. Riis-Johannessen","Facile Interconversion of Dinuclear Double Helicates and Side-by-Side Species: A Reprogrammable Ligand with Potential Sensor Applications.","Chemical Communications","2006","","","","","10.1039/b600597g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7101037","8.083","0.002","9.299","0.003","10.922","0.003","67.735","0.006","82.665","0.009","85.86","0.008","753.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 N4 Ni O26 Pb6 -","- C16 H2 N4 Ni O26 Pb6 -","- C16 H2 N4 Ni O26 Pb6 -","1","0.5","","Xiaoju Li; Rong Cao; Zhengang Guo; Jian Lu","Hydroxyl-Directed Dinitration of Carboxylate Ligands Mediated by Lead and Nickel Nitrates and Preparation of Pb/Ni Heterometallic Complexes under Hydrothermal Conditions","Chemical Communications","2006","","","","","10.1039/b600684a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101038","12.125","0.003","23.399","0.005","7.0102","0.0014","90","","90","","90","","1988.8","0.7","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H4.5 N2 O8.25 Pb -","- C7 H2 N2 O8.25 Pb -","- C56 H16 N16 O66 Pb8 -","8","1","","Xiaoju Li; Rong Cao; Zhengang Guo; Jian Lu","Hydroxyl-Directed Dinitration of Carboxylate Ligands Mediated by Lead and Nickel Nitrates and Preparation of Pb/Ni Heterometallic Complexes under Hydrothermal Conditions","Chemical Communications","2006","","","","","10.1039/b600684a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101039","10","0.009","13.053","0.012","15.555","0.014","90","","99.858","0.011","90","","2000","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 N0 O6.5 Pb1.5 -","- C8 H3 O6.5 Pb1.5 -","- C64 H24 O52 Pb12 -","8","1","","Xiaoju Li; Rong Cao; Zhengang Guo; Jian Lu","Hydroxyl-Directed Dinitration of Carboxylate Ligands Mediated by Lead and Nickel Nitrates and Preparation of Pb/Ni Heterometallic Complexes under Hydrothermal Conditions","Chemical Communications","2006","","","","","10.1039/b600684a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101040","13.9666","0.0008","15.9302","0.0009","16.6479","0.0009","90","","90","","90","","3704","0.4","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N4 Ni3 O16 -","- C34 H34 N4 Ni3 O16 -","- C136 H136 N16 Ni12 O64 -","4","0.5","","R. Morris; Zhuojia Lin; David S. Wragg","Microwave-assisted Synthesis of Anionic Metal-Organic Frameworks under Ionothermal Conditions","Chemical Communications","2006","","","","","10.1039/b600814c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7101041","22.176","0.0013","22.176","0.0013","21.437","0.002","90","","90","","90","","10542.2","1.3","173","2","173","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C100 H106 N4 O23 P4 S4 -","- C100 H104 N4 O23 P4 S4 -","- C400 H416 N16 O92 P16 S16 -","4","0.5","","","","Chemical Communications","2006","","","","","10.1039/b601016d","","","","","","","","","","","","","","","","","","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7101042","10.4334","0.0008","14.1368","0.0009","16.992","0.001","90","","94.627","0.004","90","","2498","0.3","213","","213","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Ir N O3 P -","- C29 H25 Ir N O3 P -","- C116 H100 Ir4 N4 O12 P4 -","4","1","","Munetaka Akita; Christian Dubs; Akiko Inagaki; Toshiki Yamamoto","A New Method for the Conversion of Allyl Alcohol into p-Allyl Species Promoted by Nucleophilic Interaction with a CO Ligand","Chemical Communications","2006","","","","","10.1039/b601143h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101043","33.6","0.01","10.959","0.002","15.568","0.005","90","","112.406","0.008","90","","5298","2","213","","213","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 B F4 Ir N O3 P -","- C26 H26 B F4 Ir N O3 P -","- C208 H208 B8 F32 Ir8 N8 O24 P8 -","8","1","","","","Chemical Communications","2006","","","","","10.1039/b601143h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101044","9.9562","0.0009","11.5147","0.0007","12.548","0.001","91.706","0.005","103.789","0.003","91.982","0.005","1395.2","0.2","213","","213","","","","","","","","","9","P -1","-P 1","2","","","","- C26 H28 B Cl2 F4 Ir N O2 P -","- C26 H28 B Cl2 F4 Ir N O2 P -","- C52 H56 B2 Cl4 F8 Ir2 N2 O4 P2 -","2","1","","","","Chemical Communications","2006","","","","","10.1039/b601143h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101045","14.4113","0.0003","16.9296","0.0004","21.1176","0.0005","90","","90","","90","","5152.2","0.2","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","porphyrin","","","- C60 H62 Cl Fe N4 O5 -","- C60 H62 Cl Fe N4 O5 -","- C240 H248 Cl4 Fe4 N16 O20 -","4","1","","Yoshiki Ohgo; Yuya Chiba; Daisuke Hashizume; Mikio Nakamura; Tomoji Ozeki; Hidehiro Uekusa","Novel spin transition between S=5/2 and S=3/2 in highly saddled iron(III) porphyrin complexes at extremely low temperature","Chemical Communications","2006","","","","","10.1039/b601412g","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101046","15.16","0.004","15.846","0.004","18.698","0.005","68.533","0.007","79.192","0.009","83.227","0.009","4100","2","298","","298","","","","","","","","","6","P -1","-P 1","2","2,3,7,8,12,13,17,18-octamethyl-5,10,15,20-tetrakis (3,5-di- tert-butylphenyl)porphyrinato-κ^4^N)iron(III) perchlorate dichloromethane solvate","","","- C85 H112 Cl3 Fe N4 O5 -","- C85 H58 Cl3 Fe N4 O5 -","- C170 H116 Cl6 Fe2 N8 O10 -","2","1","","Yoshiki Ohgo; Yuya Chiba; Daisuke Hashizume; Mikio Nakamura; Tomoji Ozeki; Hidehiro Uekusa","Novel spin transition between S=5/2 and S=3/2 in highly saddled iron(III) porphyrin complexes at extremely low temperature","Chemical Communications","2006","","","","","10.1039/b601412g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","295961","2024-11-16","02:09:29",""
"7101047","20.124","0.004","20.109","0.004","44.699","0.014","90","","90","","90","","18089","8","170","2","170","2","","","","","","","","4","F d d 2","F 2 -2d","43","Pentakis-(1,2,4-triazolato)-bis-(1,2,4-triazole)-bis- europium(II/III)","","","- C14 H16 Eu2 N21 -","- C13.5 H11.5 Eu2 N21 -","- C432 H368 Eu64 N672 -","32","2","","Klaus Muller-Buschbaum; Yassin Mokaddem","3-Dimensional Networks of Lanthanide 1,2,4-Triazolates: 3-infinite[Yb(Tz)3] and 3-infinite[Eu2(Tz)5(TzH)2], the First 4f Networks with Complete Nitrogen Coordination","Chemical Communications","2006","","","","","10.1039/b601450j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101048","6.788","0.002","6.788","0.002","6.788","0.002","90","","90","","90","","312.77","0.16","170","2","170","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","Tris-(1,2,4-triazolato)-ytterbium(iii)","","","- C6 H6 N9 Yb -","- C6 N9 Yb -","- C6 N9 Yb -","1","0.0208333","","Klaus Muller-Buschbaum; Yassin Mokaddem","3-Dimensional Networks of Lanthanide 1,2,4-Triazolates: 3-infinite[Yb(Tz)3] and 3-infinite[Eu2(Tz)5(TzH)2], the First 4f Networks with Complete Nitrogen Coordination","Chemical Communications","2006","","","","","10.1039/b601450j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101049","8.9662","0.0006","18.3466","0.0013","21.6925","0.0015","90","","96.841","0.001","90","","3543","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H42 Au F6 N4 P -","- C31 H42 Au F6 N4 P -","- C124 H168 Au4 F24 N16 P4 -","4","1","","Steven Nolan; P.de Fremont; M. Mar Diaz-Requejo; Manuel R. Fructos; Pedro J. Perez; E.D. Stevens","Isolation and characterization of cationic gold(I) N-heterocyclic carbene (NHC) complexes","Chemical Communications","2006","","","","","10.1039/b601547f","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101050","29.7237","0.0001","15.6233","0.0002","16.6929","0.0001","90","","98.41","0.01","90","","7668.49","0.11","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H66 F6 N8 O24 P Ru6 -","- C52 H64 F6 N8 O24 P Ru6 -","- C208 H256 F24 N32 O96 P4 Ru24 -","4","0.5","","Zhong-Ning Chen; Jing-Lin Chen; Hen-Yun Ye; Li-Yi Zhang","Dimers of Delocalized Ru3O Clusters Linked by Ortho-metallated 2,2'-Bipyrimidine in ?mu4-eta1(C),eta1(C),eta2(N,N),eta2(N,N) Mode","Chemical Communications","2006","","","","","10.1039/b601611a","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101051","11.157","0.003","6.4786","0.0015","12.087","0.003","90","","107.808","0.001","90","","831.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 Dy N2 O7 S -","- C4 H5 Dy N2 O7 S -","- C16 H20 Dy4 N8 O28 S4 -","4","1","","Yanqiong Sun; Jie Zhang; Guo-Yu Yang","Two novel luminescent lanthanide sulfate-carboxylates with unusual 2-D bamboo-raft-like structure based on the linkages of left- and right-handed helical tubes involving in-situ decarboxylation","Chemical Communications","2006","","","","","10.1039/b602034h","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101052","11.209","0.002","6.5406","0.0011","12.203","0.002","90","","107.922","0.002","90","","851.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 Eu N2 O7 S -","- C4 H5 Eu N2 O7 S -","- C16 H20 Eu4 N8 O28 S4 -","4","1","","Yanqiong Sun; Jie Zhang; Guo-Yu Yang","Two novel luminescent lanthanide sulfate-carboxylates with unusual 2-D bamboo-raft-like structure based on the linkages of left- and right-handed helical tubes involving in-situ decarboxylation","Chemical Communications","2006","","","","","10.1039/b602034h","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101053","22.2467","0.0004","24.4885","0.0005","19.6433","0.0004","90","","90","","90","","10701.4","0.4","230","2","230","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C72 H136 Cl6 Mg7 O12 -","- C71.996 H137.988 Cl6 Mg7 O12 -","- C287.984 H551.952 Cl24 Mg28 O48 -","4","0.25","","Richard A. Layfield; Thomas H. Bullock; Felipe Garcia; Simon M. Humphrey; Peter Schuler","The cationic cluster Grignard [{MgCl(thf)2}3(mu3-C3H5)2]+","Chemical Communications","2006","","","","","10.1039/b602059c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7101054","9.1636","0.0002","9.2462","0.0002","13.4528","0.0003","74.854","0.001","78.902","0.001","77.658","0.001","1063.47","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl2 Mg N4 -","- C20 H20 Cl2 Mg N4 -","- C40 H40 Cl4 Mg2 N8 -","2","1","","Richard A. Layfield; Thomas H. Bullock; Felipe Garcia; Simon M. Humphrey; Peter Schuler","The cationic cluster Grignard [{MgCl(thf)2}3(mu3-C3H5)2]+","Chemical Communications","2006","","","","","10.1039/b602059c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101055","8.0828","0.0003","18.1324","0.0005","22.083","0.0007","90","","90","","90","","3236.5","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C144 H168 N8 O24 S8 -","8","1","","Varinder Aggarwal; Christoforos G. Kokotos","Hemi-aminals as substrates for sulfur ylides: Direct asymmetric syntheses of functionalised pyrrolidines and piperidines","Chemical Communications","2006","","","","","10.1039/b602226j","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7101056","10.411","0.002","7.7097","0.0015","19.546","0.004","90","","94.63","0.03","90","","1563.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C68 H76 N4 O12 S4 -","4","1","","Varinder Aggarwal; Christoforos G. Kokotos","Hemi-aminals as substrates for sulfur ylides: Direct asymmetric syntheses of functionalised pyrrolidines and piperidines","Chemical Communications","2006","","","","","10.1039/b602226j","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101057","9.461","0.0019","18.63","0.004","10.033","0.002","90","","112.92","0.03","90","","1628.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","1","","Varinder Aggarwal; Christoforos G. Kokotos","Hemi-aminals as substrates for sulfur ylides: Direct asymmetric syntheses of functionalised pyrrolidines and piperidines","Chemical Communications","2006","","","","","10.1039/b602226j","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101058","21.5484","0.0017","10.5554","0.001","17.5984","0.0014","90","","98.862","0.006","90","","3955","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Fe5 Li2 N4 -","- C42 H56 Fe5 Li2 N4 -","- C168 H224 Fe20 Li8 N16 -","4","0.5","","","","Chemical Communications","2006","","","","","10.1039/b602359b","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101059","21.42","0.005","10.73","0.003","17.83","0.004","90","","99.533","0.017","90","","4041.4","1.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Fe3 Li6 N4 -","- C42 H56 Fe3 Li6 N4 -","- C168 H224 Fe12 Li24 N16 -","4","0.5","","","","Chemical Communications","2006","","","","","10.1039/b602359b","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101060","10.9056","0.0006","13.251","0.0004","15.7992","0.0008","113.296","0.003","99.154","0.003","95.774","0.003","2036.36","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H25 N4 O12 P3 -","- C12 H25 N4 O12 P3 -","- C48 H100 N16 O48 P12 -","4","2","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101061","7.5897","0.0015","27.591","0.006","19.19","0.004","90","","91.58","0.03","90","","4016.9","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H25 N8 O24 S5 -","- C24 H40 N8 O24 S5 -","- C96 H160 N32 O96 S20 -","4","2","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101062","11.18","0.002","7.16","0.0014","13.983","0.003","90","","91.27","0.03","90","","1119.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 B2 F8 N2 -","- C6 H10 B2 F8 N2 -","- C24 H40 B8 F32 N8 -","4","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101063","13.5054","0.001","7.4498","0.001","9.418","0.008","90","","110.351","0.006","90","","888.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Br2 N2 -","- C6 H10 Br2 N2 -","- C24 H40 Br8 N8 -","4","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101064","7.3184","0.0006","14.5495","0.0009","7.8594","0.0006","90","","94.794","0.005","90","","833.93","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Cl2 N2 -","- C6 H10 Cl2 N2 -","- C24 H40 Cl8 N8 -","4","0.5","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101065","25.649","0.003","8.6558","0.0009","11.7964","0.0013","90","","102.093","0.006","90","","2560.9","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 F6 N2 O4 -","- C10 H10 F6 N2 O4 -","- C80 H80 F48 N16 O32 -","8","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101066","6.663","0.0002","9.807","0.0006","10.106","0.0006","66.947","0.003","73.474","0.004","73.262","0.004","570.74","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 N2 O8 P2 -","- C6 H14 N2 O8 P2 -","- C12 H28 N4 O16 P4 -","2","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101067","12.6849","0.0014","7.9519","0.0006","10.395","0.001","90","","105.817","0.005","90","","1008.83","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N4 O6 -","- C6 H10 N4 O6 -","- C24 H40 N16 O24 -","4","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101068","5.5242","0.0002","11.1775","0.0008","7.6086","0.0005","90","","90.75","0.03","90","","469.77","0.05","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H10 F6 N2 Si -","- C6 H10 F6 N2 Si -","- C12 H20 F12 N4 Si2 -","2","0.5","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101069","7.2396","0.0013","8.8215","0.0016","9.4429","0.0016","73.712","0.011","74.877","0.009","76.677","0.009","550.7","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 B2 F8 N2 -","- C6 H10 B2 F8 N2 -","- C12 H20 B4 F16 N4 -","2","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101070","8.3858","0.0017","8.1422","0.0016","13.592","0.003","90","","92.82","0.03","90","","926.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Br2 N2 -","- C6 H10 Br2 N2 -","- C24 H40 Br8 N8 -","4","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101071","7.1298","0.0009","8.8359","0.0008","10.3489","0.0014","65.177","0.008","87.006","0.008","77.515","0.008","577.19","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 N2 O8 S2 -","- C6 H12 N2 O8 S2 -","- C12 H24 N4 O16 S4 -","2","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101072","10.677","0.002","6.8471","0.0018","15.621","0.003","90","","108.61","0.01","90","","1082.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N4 O7 -","- C6 H12 N4 O7 -","- C24 H48 N16 O28 -","4","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101073","8.9269","0.0011","6.0679","0.001","10.4425","0.0015","90","","113.21","0.009","90","","519.86","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H12 F6 N2 O P -","- C6 H12 F6 N2 O P -","- C12 H24 F12 N4 O2 P2 -","2","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101074","8.9265","0.0018","6.0639","0.0012","10.44","0.002","90","","113.15","0.03","90","","519.59","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H12 F6 N2 O Si -","- C6 H12 F6 N2 O Si -","- C12 H24 F12 N4 O2 Si2 -","2","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101075","5.7025","0.0011","8.5328","0.0017","14.781","0.003","90","","90","","90","","719.2","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 Cl N2 -","- C6 H9 Cl N2 -","- C24 H36 Cl4 N8 -","4","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101076","4.4488","0.0005","6.089","0.005","8.701","0.006","103.616","0.004","104.616","0.005","101.392","0.005","213.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H10 Br2 N2 -","- C6 H10 Br2 N2 -","- C6 H10 Br2 N2 -","1","0.5","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101077","4.285","0.0002","5.8053","0.0015","8.6259","0.0006","71.035","0.004","76.868","0.005","79.631","0.005","196.3","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H10 Cl2 N2 -","- C6 H10 Cl2 N2 -","- C6 H10 Cl2 N2 -","1","0.5","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101078","5.9661","0.0005","16.09","0.0014","7.2186","0.0005","90","","101.075","0.005","90","","680.04","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F6 N2 O4 -","- C10 H10 F6 N2 O4 -","- C20 H20 F12 N4 O8 -","2","0.5","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101079","8.316","0.0017","12.937","0.003","13.434","0.003","77.85","0.03","76.36","0.03","82.11","0.03","1367.3","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H25.75 Cl3 Co N4.25 O10 -","- C22.5 H25.75 Cl3 Co N4.25 O10 -","- C45 H51.5 Cl6 Co2 N8.5 O20 -","2","1","","P. Comba; Shigemasa Kuwata; Gerald Linti; Hans Pritzkow; Mate Tarnai; Hubert Wadepohl","Oxidative N-dealkylation in cobalt-bispidine-H2O2 systems","Chemical Communications","2006","","","","","10.1039/b602571d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101080","11.35","0.0015","13.2623","0.0018","13.9803","0.0018","113.766","0.002","91.005","0.003","109.556","0.002","1786.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl3 Co N4 O16 -","- C22 H26 Cl3 Co N4 O16 -","- C44 H52 Cl6 Co2 N8 O32 -","2","1","","P. Comba; Shigemasa Kuwata; Gerald Linti; Hans Pritzkow; Mate Tarnai; Hubert Wadepohl","Oxidative N-dealkylation in cobalt-bispidine-H2O2 systems","Chemical Communications","2006","","","","","10.1039/b602571d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101081","13.8467","0.0008","14.6159","0.0009","16.919","0.001","101.279","0.001","111.414","0.001","107.638","0.001","2851.2","0.3","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H63 Co2 F6 K3 N8 O27.5 P -","- C44 H56 Co2 F6 K3 N8 O27.399 P -","- C88 H112 Co4 F12 K6 N16 O54.798 P2 -","2","1","","P. Comba; Shigemasa Kuwata; Gerald Linti; Hans Pritzkow; Mate Tarnai; Hubert Wadepohl","Oxidative N-dealkylation in cobalt-bispidine-H2O2 systems","Chemical Communications","2006","","","","","10.1039/b602571d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101082","10.7753","0.0008","12.5214","0.001","15.259","0.0012","91.266","0.002","109.016","0.002","111.689","0.001","1784.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 Cl2 Co N4 O17 -","- C23 H29 Cl2 Co N4 O17 -","- C46 H58 Cl4 Co2 N8 O34 -","2","1","","P. Comba; Shigemasa Kuwata; Gerald Linti; Hans Pritzkow; Mate Tarnai; Hubert Wadepohl","Oxidative N-dealkylation in cobalt-bispidine-H2O2 systems","Chemical Communications","2006","","","","","10.1039/b602571d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7101083","13.49","0.02","13.74","0.02","23.62","0.04","77.03","0.02","84.52","0.03","70.26","0.02","4013","11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H72 Cd2 Cl4 N2 O18 Pt9 -","- C50 H72 Cd2 Cl4 N2 O18 Pt9 -","- C100 H144 Cd4 Cl8 N4 O36 Pt18 -","2","1","","Giuliano Longoni; Cristina Femoni; M. Carmela Iapalucci; K.Francesco; Stefano Zacchini","Copolymerisation of Pt-Carbonyl Clusters with Lewis Acids: Synthesis and Crystal Structure of the Molecular {Cd2Cl4[Pt9(CO)18]2-}? 1-D Superwire","Chemical Communications","2006","","","","","10.1039/b602593e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101084","9.181","0.005","12.455","0.007","21.261","0.012","98.573","0.009","94.08","0.009","99.425","0.009","2360","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H56 F6 Fe N7 O3 S -","- C46 H49 F6 Fe N7 O3 S -","- C92 H98 F12 Fe2 N14 O6 S2 -","2","1","","G. Richter-Addo; Lin Cheng.; Douglas R. Powell; Nan Xu.","The first structurally characterized nitrosyl heme thiolate model complex","Chemical Communications","2006","","","","","10.1039/b602611g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101085","8.9881","0.0014","13.208","0.002","19.879","0.003","100.889","0.005","91.761","0.005","101.373","0.005","2266.3","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H56 F6 Fe N6 O2 S -","- C46 H49 F6 Fe N6 O2 S -","- C92 H98 F12 Fe2 N12 O4 S2 -","2","1","","G. Richter-Addo; Lin Cheng.; Douglas R. Powell; Nan Xu.","The first structurally characterized nitrosyl heme thiolate model complex","Chemical Communications","2006","","","","","10.1039/b602611g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7101086","12.7239","0.0004","13.6559","0.0005","15.0447","0.0007","65.588","0.002","69.964","0.002","67.954","0.002","2151.24","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H43 N11 O6 -","- C49 H43 N11 O6 -","- C98 H86 N22 O12 -","2","1","","Jonathan L. Sessler; Vince Lynch; G. Dan Pantos; M. Salome Rodriguez-Morgade; Tomas Torres","2-Amino-3,4-diethylpyrrole: a new building block for coiled structures","Chemical Communications","2006","","","","","10.1039/b602956f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101087","10.5504","0.001","9.0899","0.0008","13.5949","0.0014","90","","96.867","0.004","90","","1294.4","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C52 H68 N12 O8 -","4","1","","Jonathan L. Sessler; Vince Lynch; G. Dan Pantos; M. Salome Rodriguez-Morgade; Tomas Torres","2-Amino-3,4-diethylpyrrole: a new building block for coiled structures","Chemical Communications","2006","","","","","10.1039/b602956f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101088","8.7341","0.0009","11.0843","0.0011","12.6991","0.0013","95.413","0.005","98.622","0.005","107.017","0.005","1149.8","0.2","190","2","190","2","","","","","","","","4","P -1","-P 1","2","1,3,5-tris(4-Bromobenzoyl)benzene","","","- C27 H15 Br3 O3 -","- C27 H15 Br3 O3 -","- C54 H30 Br6 O6 -","2","1","","F. Christopher Pigge; Venu R. Vangala; Dale C.Swenson","Relative importance of X...O=C versus X...X halogen bonding as structural determinants in 4-halotriaroylbenzenes","Chemical Communications","2006","","","","","10.1039/b603110b","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101089","8.6566","0.0009","11.0606","0.0011","12.6155","0.0013","95.743","0.005","98.372","0.005","106.709","0.005","1131.7","0.2","190","2","190","2","","","","","","","","5","P -1","-P 1","2","(1,3,5-tris(4-Bromobenzoyl)benzene).(1,3,5-tris(4- Chlorobenzoyl)benzene)","","","- C27 H15 Br1.656 Cl1.344 O3 -","- C27 H15 Br1.656 Cl1.344 O3 -","- C54 H30 Br3.312 Cl2.688 O6 -","2","1","","F. Christopher Pigge; Venu R. Vangala; Dale C.Swenson","Relative importance of X...O=C versus X...X halogen bonding as structural determinants in 4-halotriaroylbenzenes","Chemical Communications","2006","","","","","10.1039/b603110b","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7101090","7.3649","0.0007","13.8815","0.0013","24.58","0.002","90","","92.966","0.005","90","","2509.6","0.4","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3,5-tris(4-Iodobenzoyl)benzene","","","- C27 H15 I3 O3 -","- C27 H15 I3 O3 -","- C108 H60 I12 O12 -","4","1","","F. Christopher Pigge; Venu R. Vangala; Dale C.Swenson","Relative importance of X...O=C versus X...X halogen bonding as structural determinants in 4-halotriaroylbenzenes","Chemical Communications","2006","","","","","10.1039/b603110b","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101091","22.757","0.002","8.7286","0.0009","10.593","0.0011","90","","101.174","0.005","90","","2064.3","0.4","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3,5-tris(4-Fluorobenzoyl)benzene","","","- C27 H15 F3 O3 -","- C27 H15 F3 O3 -","- C108 H60 F12 O12 -","4","1","","F. Christopher Pigge; Venu R. Vangala; Dale C.Swenson","Relative importance of X...O=C versus X...X halogen bonding as structural determinants in 4-halotriaroylbenzenes","Chemical Communications","2006","","","","","10.1039/b603110b","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101092","7.324","0.003","10.189","0.005","12.669","0.006","101.544","0.008","95.067","0.009","101.157","0.008","900.7","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H28 P2 Se3 -","- C12 H28 P2 Se3 -","- C24 H56 P4 Se6 -","2","1","","P. O'Brien; Adekunle Adeogun; Mohammad Afzaal; Chinh Q. Nguyen","A facile and reproducible synthesis of bis(dialkylselenophosphenyl)-selenides and -diselinides: X-ray structures of [iPr2PSe2]Se, [iPr2PSe2]Se2 and [(Ph)2PSe2]Se","Chemical Communications","2006","","","","","10.1039/b603197h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101093","20.905","0.008","8.393","0.003","11.592","0.004","90","","103.12","0.009","90","","1980.8","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 P2 Se4 -","- C12 H28 P2 Se4 -","- C48 H112 P8 Se16 -","4","0.5","","","","Chemical Communications","2006","","","","","10.1039/b603197h","","","","","","","","","","","","","","","","","","","","","has coordinates","180112","2020-10-21","18:00:00",""
"7101094","9.279","0.003","11.26","0.003","13.075","0.004","106.562","0.005","100.36","0.005","110.862","0.004","1161.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 P2 Se3 -","- C24 H20 P2 Se3 -","- C48 H40 P4 Se6 -","2","1","","","","Chemical Communications","2006","","","","","10.1039/b603197h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101095","11.5073","0.0012","14.1178","0.0015","16.0926","0.0017","90","","97.671","0.002","90","","2591","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Mo2 O2 P2 Se6 -","- C12 H28 Mo2 O2 P2 Se6 -","- C48 H112 Mo8 O8 P8 Se24 -","4","1","","Nguyen, Chinh Q.; Adeogun, Adekunle; Afzaal, Mohammad; Malik, Mohammad A.; O'Brien, Paul","Metal complexes of bis(di-alkylselenophosphinyl)selenide [(R2PSe2)Se]: [M(R2PSe2)n] (M = ZnII, CdII, PbII, InIII, GaIII, CuI, , BiIII, NiII; R = iPr, Ph) and MoV2O2Se2(Se2PiPr2)2]","Chemical Communications (Cambridge, United Kingdom)","2006","","20","2182","2184","10.1039/b603198f","","","","","","","","","","","","","","","","","","","","","has coordinates","209510","2020-10-21","18:00:00",""
"7101096","12.938","0.0016","17.527","0.002","18.617","0.002","90","","91.453","0.002","90","","4220.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 Cu4 P4 Se8 -","- C24 H56 Cu4 P4 Se8 -","- C96 H224 Cu16 P16 Se32 -","4","1","","Nguyen, Chinh Q.; Adeogun, Adekunle; Afzaal, Mohammad; Malik, Mohammad A.; O'Brien, Paul","Metal complexes of bis(di-alkylselenophosphinyl)selenide [(R2PSe2)Se]: [M(R2PSe2)n] (M = ZnII, CdII, PbII, InIII, GaIII, CuI, , BiIII, NiII; R = iPr, Ph) and MoV2O2Se2(Se2PiPr2)2]","Chemical Communications (Cambridge, United Kingdom)","2006","","20","2182","2184","10.1039/b603198f","","","","","","","","","","","","","","","","","","","","","has coordinates","209510","2020-10-21","18:00:00",""
"7101097","15.925","0.003","10.445","0.0017","37.635","0.006","90","","92.853","0.003","90","","6252.3","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H42 In P3 Se6 -","- C18 H42 In P3 Se6 -","- C144 H336 In8 P24 Se48 -","8","2","","Nguyen, Chinh Q.; Adeogun, Adekunle; Afzaal, Mohammad; Malik, Mohammad A.; O'Brien, Paul","Metal complexes of bis(di-alkylselenophosphinyl)selenide [(R2PSe2)Se]: [M(R2PSe2)n] (M = ZnII, CdII, PbII, InIII, GaIII, CuI, , BiIII, NiII; R = iPr, Ph) and MoV2O2Se2(Se2PiPr2)2]","Chemical Communications (Cambridge, United Kingdom)","2006","","20","2182","2184","10.1039/b603198f","","","","","","","","","","","","","","","","","","","","","has coordinates","209510","2020-10-21","18:00:00",""
"7101098","8.714","0.0012","20.684","0.003","16.941","0.002","90","","99.457","0.002","90","","3012","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Ga P3 Se6 -","- C18 H42 Ga P3 Se6 -","- C72 H168 Ga4 P12 Se24 -","4","1","","Nguyen, Chinh Q.; Adeogun, Adekunle; Afzaal, Mohammad; Malik, Mohammad A.; O'Brien, Paul","Metal complexes of bis(di-alkylselenophosphinyl)selenide [(R2PSe2)Se]: [M(R2PSe2)n] (M = ZnII, CdII, PbII, InIII, GaIII, CuI, , BiIII, NiII; R = iPr, Ph) and MoV2O2Se2(Se2PiPr2)2]","Chemical Communications (Cambridge, United Kingdom)","2006","","20","2182","2184","10.1039/b603198f","","","","","","","","","","","","","","","","","","","","","has coordinates","209510","2020-10-21","18:00:00",""
"7101099","34.976","0.003","34.976","0.003","18.246","0.003","90","","90","","120","","19330","4","188","2","188","2","","","","","","","","3","R -3 :H","-R 3","148","C-methyl-calix(4)resorcinare, water, 2-ethylhexanol complex","","","- C264 H358 O59 -","- C240 H294 O56 -","- C720 H882 O168 -","3","0.166667","","K.T. Holman; Onome Ugono","An achiral form of the hexameric resorcin[4]arene capsule sustained by hydrogen bonding with alcohols","Chemical Communications","2006","","","","","10.1039/b604148e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180112","2020-10-21","18:00:00",""
"7101100","11.5277","0.0004","8.3692","0.0003","17.3259","0.0006","90","","97.388","0.002","90","","1657.68","0.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Cl N2 O5 -","- C15 H23 Cl N2 O5 -","- C60 H92 Cl4 N8 O20 -","4","1","","A. Furstner; M. Alcarazo; V. Cesar; C.W. Lehmann","Convenient, scalable and flexible method for the preparation of imidazolium salts with previously inaccessible substitution patterns","Chemical Communications","2006","","","","","10.1039/b604236h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7101101","9.5248","0.0002","9.5297","0.0002","15.4459","0.0004","80.307","0.001","88.71","0.001","60.789","0.001","1203.33","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 Cl N2 O4 -","- C24 H31 Cl N2 O4 -","- C48 H62 Cl2 N4 O8 -","2","1","","A. Furstner; M. Alcarazo; V. Cesar; C.W. Lehmann","Convenient, scalable and flexible method for the preparation of imidazolium salts with previously inaccessible substitution patterns","Chemical Communications","2006","","","","","10.1039/b604236h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101102","9.5374","0.001","10.5798","0.0014","10.6445","0.0014","73.132","0.005","87.076","0.006","69.773","0.005","963","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H24 Cl N O7 -","- C17 H24 Cl N O7 -","- C34 H48 Cl2 N2 O14 -","2","1","","","","Chemical Communications","2006","","","","","10.1039/b604236h","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7101172","18.84","0.004","27.549","0.003","20.013","0.003","90","","116.78","0.02","90","","9273","3","293","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H94 Cl5 N2 Na O14 S8 -","- C76 H94 Cl5 N2 Na O14 S8 -","- C304 H376 Cl20 N8 Na4 O56 S32 -","4","1","","Marc Salle; Magali Allain; Le Derf,Franck; Eric Levillain; Joel Lyskawa; S. Palacin; Pascal Viel","Monitoring the formation of TTF dimers by Na+ complexation","Chemical Communications","2006","","21","","","10.1039/b518275a","","","0.71073","MoKα","","","0.173","","","","0.4766","","","","","","1.49","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7101173","9.7704","0.0001","17.6269","0.0003","16.833","0.0002","90","","93.335","0.001","90","","2894.1","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C70 H78 Li4 N8 -","- C70 H78 Li4 N8 -","- C140 H156 Li8 N16 -","2","1","","Patricia Horrillo Martínez; Kai C. Hultzsch; Frank Hampel","Base-catalysed asymmetric hydroamination/cyclisation of aminoalkenes utilising a dimeric chiral diamidobinaphthyl dilithium salt","Chemical Communications","2006","","21","","","10.1039/b518360j","","","0.71073","MoKα","","0.073","0.0542","","","0.1309","0.1438","","","","","","1.012","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101174","9.0054","0.0014","6.1591","0.001","17.402","0.003","90","","100.392","0.002","90","","949.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu3 N14 O4 -","- C12 H8 Cu3 N14 O4 -","- C24 H16 Cu6 N28 O8 -","2","0.5","","Zeng, Yong-Fei; Liu, Fu-Chen; Zhao, Jiong-Peng; Cai, Shuang; Bu, Xian-He; Ribas, Joan","An azido–metal–isonicotinate complex showing long-range ordered ferromagnetic interaction: synthesis, structure and magnetic properties","Chemical Communications (Cambridge, United Kingdom)","2006","","21","2227","2229","10.1039/b601311b","","","0.71073","MoKα","","0.0717","0.0461","","","0.1005","0.107","","","","","","0.943","","","","has coordinates","287992","2023-12-04","15:06:34",""
"7101175","10.592","0.004","6.912","0.006","15.076","0.008","90","","94.25","0.03","90","","1100.6","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Hildebrandt, Dirk; Hüggenberg, Wiebke; Kanthak, Matthias; Plöger, Tobias; Müller, Iris M.; Dyker, Gerald","A platinum-catalyzed annulation reaction leading to medium-sized rings","Chemical Communications (Cambridge, United Kingdom)","2006","","21","2260","2261","10.1039/b602498j","","","0.71073","MoKα","","0.0521","0.0412","","","0.1095","0.1172","","","","","","1.086","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101176","25.7986","0.0015","6.059","0.0003","10.8001","0.0006","90","","99.793","0.001","90","","1663.6","0.16","293","1","293","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 N O2.5 S -","- C7 H10 N O2.5 S -","- C56 H80 N8 O20 S8 -","8","1","","Shlomo Rozen; Elizabeta Amir","Easy access to the family of thiazole N-oxides using HOF CH3CN","Chemical Communications","2006","","21","","","10.1039/b602594c","","","0.71073","MoKα","","0.0419","0.041","","","0.1056","0.1065","","","","","","1.138","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7101177","7.964","0.006","9.9","0.003","6.147","0.005","95.32","0.04","109.05","0.05","88.83","0.04","456.1","0.5","353.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C As Cl F6 N S3 -","- C As Cl F6 N S3 -","- C2 As2 Cl2 F12 N2 S6 -","2","1","","Cameron, T. Stanley; Decken, Andreas; Kowalczyk, Radoslaw M.; McInnes, Eric J. L.; Passmore, Jack; Rawson, Jeremy M.; Shuvaev, Konstantin V.; Thompson, Laurence K.","Characterisation of the thermally accessible spin triplet state in dimers of the 7π ClCNSSS+˙ in the solid state","Chemical Communications (Cambridge, United Kingdom)","2006","","21","2277","2279","10.1039/b602843h","","","0.7107","MoKα","","0.1237","0.0398","","","0.1074","0.135","","","","","","1.009","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101178","7.836","0.0005","9.851","0.002","6.12","0.01","95.7","0.7","109.7","0.5","89.33","0.08","442.5","0.7","168.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C As Cl F6 N S3 -","- C As Cl F6 N S3 -","- C2 As2 Cl2 F12 N2 S6 -","2","1","","Cameron, T. Stanley; Decken, Andreas; Kowalczyk, Radoslaw M.; McInnes, Eric J. L.; Passmore, Jack; Rawson, Jeremy M.; Shuvaev, Konstantin V.; Thompson, Laurence K.","Characterisation of the thermally accessible spin triplet state in dimers of the 7π ClCNSSS+˙ in the solid state","Chemical Communications (Cambridge, United Kingdom)","2006","","21","2277","2279","10.1039/b602843h","","","0.7107","MoKα","","0.0775","0.0433","","","0.1179","0.1341","","","","","","1.041","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101179","6.1479","0.0004","7.9522","0.0005","9.924","0.0006","88.791","0.001","84.421","0.001","70.508","0.001","455.17","0.05","198","1","198","1","","","","","","","","6","P -1","-P 1","2","","","","- C As Br F6 N S3 -","- C As Br F6 N S3 -","- C2 As2 Br2 F12 N2 S6 -","2","1","","Cameron, T. Stanley; Decken, Andreas; Kowalczyk, Radoslaw M.; McInnes, Eric J. L.; Passmore, Jack; Rawson, Jeremy M.; Shuvaev, Konstantin V.; Thompson, Laurence K.","Characterisation of the thermally accessible spin triplet state in dimers of the 7π ClCNSSS+˙ in the solid state","Chemical Communications (Cambridge, United Kingdom)","2006","","21","2277","2279","10.1039/b602843h","","","0.71073","MoKα","","0.0254","0.0234","","","0.064","0.0647","","","","","","1.081","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7101180","6.2389","0.001","8.0343","0.0012","10.143","0.0016","87.847","0.002","84.629","0.002","70.804","0.002","478.03","0.13","198","1","198","1","","","","","","","","6","P -1","-P 1","2","","","","- C As F6 I N S3 -","- C As F6 I N S3 -","- C2 As2 F12 I2 N2 S6 -","2","1","","Cameron, T. Stanley; Decken, Andreas; Kowalczyk, Radoslaw M.; McInnes, Eric J. L.; Passmore, Jack; Rawson, Jeremy M.; Shuvaev, Konstantin V.; Thompson, Laurence K.","Characterisation of the thermally accessible spin triplet state in dimers of the 7π ClCNSSS+˙ in the solid state","Chemical Communications (Cambridge, United Kingdom)","2006","","21","2277","2279","10.1039/b602843h","","","0.71073","MoKα","","0.0584","0.0566","","","0.1483","0.1501","","","","","","1.069","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7101181","11.283","0.003","11.358","0.003","16.448","0.005","84.662","0.011","86.318","0.01","67.139","0.009","1932.8","1","193.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H28 Cl2 O P2 Pt -","- C37 H28 Cl2 O P2 Pt -","- C74 H56 Cl4 O2 P4 Pt2 -","2","1","","Kohsuke Aikawa; Kazuki Wakabayashi; Yukinori Yusa","Achiral Benzophenone Ligand-Rhodium Complex with Chiral Diamine Activator for High Enantiocontrol in Asymmetric Transfer Hydrogenation","Chemical Communications","2006","","22","","","10.1039/b517585b","","","0.7107","MoKα","","","0.152","","","","0.174","","","","","","2.298","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101182","11.1806","0.0004","11.2602","0.0004","16.3715","0.0005","83.782","0.001","85.792","0.001","67.105","0.001","1886.46","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 Cl6 O P2 Pt -","- C39 H32 Cl6 O P2 Pt -","- C78 H64 Cl12 O2 P4 Pt2 -","2","1","","Kohsuke Aikawa; Kazuki Wakabayashi; Yukinori Yusa","Achiral Benzophenone Ligand-Rhodium Complex with Chiral Diamine Activator for High Enantiocontrol in Asymmetric Transfer Hydrogenation","Chemical Communications","2006","","22","","","10.1039/b517585b","","","0.71073","MoKα","","0.0204","0.0199","","","0.051","0.0513","","","","","","1.067","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101183","10.643","0.002","14.476","0.003","15.377","0.003","97.08","0.03","102.4","0.03","110.63","0.03","2113.5","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","5,10,15,20-tetrakis(3,5-di-t-butyl-4-hydroxyphenyl)porphyrin","5,10,15,20-tetrakis(3,5-di-t-butyl-4-hydroxyphenyl)porphyrin","","- C94 H122 N4 O4 -","- C94 H122 N4 O4 -","- C94 H122 N4 O4 -","1","0.5","","Hill, Jonathan P.; Wakayama, Yutaka; Schmitt, Wolfgang; Tsuruoka, Tohru; Nakanishi, Takashi; Zandler, Melvin L.; McCarty, Amy L.; D'Souza, Francis; Milgrom, Lionel R.; Ariga, Katsuhiko","Regulating the stability of 2D crystal structures using an oxidation state-dependent molecular conformation","Chemical Communications (Cambridge, United Kingdom)","2006","","22","2320","2322","10.1039/b517668a","","","0.71073","MoKα","","0.1343","0.0642","","","0.1697","0.2284","","","","","","0.947","","","","has coordinates","287993","2023-12-04","15:11:32",""
"7101184","27.007","0.004","27.007","0.004","11.473","0.002","90","","90","","120","","7247","2","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C41 H73 N3 O9 -","- C41 H73 N3 O9 -","- C246 H438 N18 O54 -","6","1","","Bhattarai, Khadga M.; del Amo, Vicente; Magro, Germinal; Sisson, Adam L.; Joos, Jean-Baptiste; Charmant, Jonathan P. H.; Kantacha, Anob; Davis, Anthony P.","The ""triamino-analogue"" of methyl allocholate; a rigid, functionalised scaffold for supramolecular chemistry","Chemical Communications (Cambridge, United Kingdom)","2006","","22","2335","2337","10.1039/b602415g","","x-ray","0.71074","MoKα","","0.1262","0.0843","","","0.2037","0.226","","","","","","1.039","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101185","8.2609","0.0003","10.8798","0.0004","11.7925","0.0005","79.854","0.002","79.837","0.002","89.219","0.002","1026.76","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C46 H64 O6 -","2","1","","Jonathan D. Sellars; Patrick G. Steel; Michael J. Turner","Hosomi-Sakurai Reactions of Silacyclic Allyl Silanes","Chemical Communications","2006","","22","","","10.1039/b602642g","","","0.71073","MoKα","","0.0849","0.0511","","","0.1089","0.1227","","","","","","1.017","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101186","5.6207","0.0006","35.556","0.004","35.835","0.004","90","","90","","90","","7161.5","1.5","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-phenylalanyl-L-tryptophane 0.75 hydrate","L-phenylalanyl-L-tryptophane 0.75 hydrate","","- C20 H22.5 N3 O3.75 -","- C20 H22.5 N3 O3.75 -","- C320 H360 N48 O60 -","16","4","","C.H.Gorbitz","The structure of nanotubes formed by diphenylalanine, the core recognition motif of Alzheimer's beta-amyloid polypeptide","Chemical Communications","2006","","22","","","10.1039/b603080g","","","0.71073","MoKα","","0.2144","0.079","","","0.1387","0.1822","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101187","13.122","0.003","13.342","0.003","13.744","0.003","76.38","0.03","79.99","0.03","62.36","0.03","2065.9","1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C35 H42 B Cl2 N9 O P Rh S3 -","- C34 H40 B N9 O P Rh S3 -","- C68 H80 B2 N18 O2 P2 Rh2 S6 -","2","1","","Adams, C.J.; Blagg, R.J.; Charmant, J.P.H.; Connelly, N.G.; Haddow, M.F.; Orpen, A.G.","The oxidative activation of a B-H bond: novel route to metallaboratrane complexes","Chemical Communications","2006","","22","","","10.1039/b604954k","","","0.71073","MoKα","","0.0688","0.0503","","","0.1148","0.1213","","","","","","1.018","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101188","12.8991","0.0019","14.035","0.002","14.286","0.002","68.377","0.005","88.304","0.006","87.738","0.005","2402.1","0.6","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C36 H43 B Cl4 F6 N9 O P2 Rh S3 -","- C36 H43 B Cl4 F6 N9 O P2 Rh S3 -","- C72 H86 B2 Cl8 F12 N18 O2 P4 Rh2 S6 -","2","1","","Adams, C.J.; Blagg, R.J.; Charmant, J.P.H.; Connelly, N.G.; Haddow, M.F.; Orpen, A.G.","The oxidative activation of a B-H bond: novel route to metallaboratrane complexes","Chemical Communications","2006","","22","","","10.1039/b604954k","","","0.71073","MoKα","","0.0997","0.0552","","","0.1188","0.1364","","","","","","1.021","","","","has coordinates,has disorder","277870","2022-09-15","11:09:06",""
"7101189","10.66445","0.00001","10.66445","0.00001","10.66445","0.00001","90","","90","","90","","1212.88","0.003","","","293","2","","","","","","","","4","I 21 3","I 2b 2c 3","199","Li4BH4(NH2)3","Li4BH4(NH2)3","","- B H10 Li4 N3 -","- B H10 Li4 N3 -","- B8 H80 Li32 N24 -","8","0.333333","","P.A.Chater; W.I.F.David; S.R.Johnson; P.P.Edwards; P.A.Anderson","Synthesis and Crystal Structure of Li4BH4(NH2)3","Chemical Communications","2006","","23","","","10.1039/b518243c","","x-ray","0.80022","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101190","10.6738","0.0002","10.6738","0.0002","10.6738","0.0002","90","","90","","90","","1216.05","0.09","","","293","2","","","","","","","","4","I 21 3","I 2b 2c 3","199","Li4BH4(NH2)3","Li4BH4(NH2)3","","- B H10 Li4 N3 -","- B H10 Li4 N3 -","- B8 H80 Li32 N24 -","8","0.333333","","P.A.Chater; W.I.F.David; S.R.Johnson; P.P.Edwards; P.A.Anderson","Synthesis and Crystal Structure of Li4BH4(NH2)3","Chemical Communications","2006","","23","","","10.1039/b518243c","","x-ray","0.80022","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101191","13.348","0.003","10.922","0.003","13.743","0.003","90","","96.753","0.003","90","","1989.6","0.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 F6 N3 O4 S2 -","- C14 H17 F6 N3 O4 S2 -","- C56 H68 F24 N12 O16 S8 -","4","1","","J.Lachwa; I.Bento; M.T.Duarte; J.N.C.Lopes; L.P.N.Rebelo","Condensed phase behaviour of ionic liquid‒benzene mixtures: congruent melting of a [emim][NTf2].C6H6 inclusion crystal","Chemical Communications","2006","","23","","","10.1039/b602675c","","","0.8856","synchrotron","","0.0579","0.0508","","","0.1372","0.1433","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101192","12.9804","0.0007","20.87","0.001","22.953","0.001","90","","93.135","0.004","90","","6208.7","0.5","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C86 F48 -","- C86 F48 -","- C344 F192 -","4","1","","Avdoshenko, Stanislav M.; Goryunkov, Alexey A.; Ioffe, Ilya N.; Ignat'eva, Daria V.; Sidorov, Lev N.; Pattison, Philip; Kemnitz, Erhard; Troyanov, Sergey I.","Preparation, crystallographic characterization and theoretical study of C70(CF3)16 and C70(CF3)18","Chemical Communications (Cambridge, United Kingdom)","2006","","23","2463","2465","10.1039/b603201j","","","0.75","synchrotron","","0.1219","0.1211","","","0.2489","0.2491","","","","","","1.207","","","","has coordinates","287994","2023-12-04","15:17:04",""
"7101193","13.3244","0.0009","14.3768","0.0009","20.323","0.001","103.674","0.005","98.521","0.005","114.658","0.005","3300.8","0.3","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C88 F54 -","- C88 F54 -","- C176 F108 -","2","1","","Avdoshenko, Stanislav M.; Goryunkov, Alexey A.; Ioffe, Ilya N.; Ignat'eva, Daria V.; Sidorov, Lev N.; Pattison, Philip; Kemnitz, Erhard; Troyanov, Sergey I.","Preparation, crystallographic characterization and theoretical study of C70(CF3)16 and C70(CF3)18","Chemical Communications (Cambridge, United Kingdom)","2006","","23","2463","2465","10.1039/b603201j","","","0.71073","MoKα","","0.1288","0.0808","","","0.1774","0.1951","","","","","","1.041","","","","has coordinates","287994","2023-12-04","15:17:04",""
"7101194","13.3813","0.0003","15.6376","0.0003","20.5571","0.0005","90","","90","","90","","4301.6","0.16","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H28 N2 Ni O2 -","- C23 H28 N2 Ni O2 -","- C184 H224 N16 Ni8 O16 -","8","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.0677","0.038","","","0.0828","0.0926","","","","","","1.011","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101195","8.65","0.0003","14.8065","0.0006","13.6843","0.0006","90","","96.718","0.002","90","","1740.6","0.12","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 Ni O3 -","- C19 H22 N2 Ni O3 -","- C76 H88 N8 Ni4 O12 -","4","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.0969","0.0631","","","0.1531","0.1722","","","","","","1.084","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101196","9.5487","0.0003","14.9037","0.0008","9.8115","0.0005","90","","115.807","0.003","90","","1257","0.1","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H28 Ni O2 P2 -","- C29 H28 Ni O2 P2 -","- C58 H56 Ni2 O4 P4 -","2","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.0451","0.0383","","","0.0767","0.0794","","","","","","1.037","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101197","24.491","0.0008","14.8852","0.0006","17.1908","0.0004","90","","125.904","0.002","90","","5076.2","0.3","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H44 Ni O2 P2 -","- C25 H44 Ni O2 P2 -","- C200 H352 Ni8 O16 P16 -","8","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.0679","0.0506","","","0.1051","0.1114","","","","","","1.055","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101198","27.6383","0.0005","10.599","0.0002","22.8711","0.0004","90","","90","","90","","6699.8","0.2","183","2","183","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H33 F4 Ni O3.5 P2 -","- C32 H33 F4 Ni O3.5 P2 -","- C256 H264 F32 Ni8 O28 P16 -","8","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.1175","0.071","","","0.1873","0.2092","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101199","13.1415","0.0005","15.6809","0.0007","16.0563","0.0007","90","","99.673","0.003","90","","3261.7","0.2","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 F12 Ni O3 P2 -","- C33 H24 F12 Ni O3 P2 -","- C132 H96 F48 Ni4 O12 P8 -","4","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.1094","0.0764","","","0.2028","0.2284","","","","","","1.103","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101200","10.0133","0.0009","10.9437","0.0009","16.288","0.0001","82.934","0.006","72.9","0.007","66.73","0.008","1567.1","0.2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H39 N Ni O3 P2 -","- C34 H39 N Ni O3 P2 -","- C68 H78 N2 Ni2 O6 P4 -","2","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.0991","0.0537","","","0.1133","0.1306","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101201","19.031","0.0005","16.9081","0.0004","23.1607","0.0007","90","","90","","90","","7452.6","0.3","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H40 N Ni O2 P3 -","- C42 H40 N Ni O2 P3 -","- C336 H320 N8 Ni8 O16 P24 -","8","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.1271","0.0622","","","0.1266","0.156","","","","","","1.037","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101202","22.7003","0.0004","22.7328","0.0004","18.248","0.0004","90","","107.915","0.001","90","","8960.1","0.3","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N4 Ni -","- C28 H24 N4 Ni -","- C448 H384 N64 Ni16 -","16","2","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.1107","0.0893","","","0.2335","0.2523","","","","","","1.162","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101203","18.1812","0.0006","13.2156","0.0005","19.9132","0.0004","90","","109.69","0.002","90","","4504.9","0.2","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H52 Ni P4 -","- C54 H52 Ni P4 -","- C216 H208 Ni4 P16 -","4","0.5","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.058","0.0413","","","0.079","0.084","","","","","","1.033","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101204","20.9448","0.0004","11.835","0.0003","20.066","0.0004","90","","110.142","0.002","90","","4669.79","0.18","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Ni P4 -","- C56 H56 Ni P4 -","- C224 H224 Ni4 P16 -","4","0.5","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.0489","0.0329","","","0.0782","0.0857","","","","","","1.004","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101205","13.8923","0.0005","16.8347","0.0009","24.148","0.001","103.947","0.003","95.888","0.003","113.132","0.003","4915.7","0.4","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H95 Ni2 O2 P7 -","- C104 H91 Ni2 O2 P7 -","- C208 H182 Ni4 O4 P14 -","2","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.1962","0.0854","","","0.2219","0.2664","","","","","","0.937","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101206","11.0266","0.0001","11.1318","0.0002","27.326","0.0003","92.84","0.001","98.429","0.001","106.845","0.001","3160.52","0.07","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H66 Ni P6 -","- C75 H66 Ni P6 -","- C150 H132 Ni2 P12 -","2","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.0615","0.0452","","","0.1098","0.1188","","","","","","1.038","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101207","11.8283","0.0003","22.0688","0.0004","16.7883","0.0004","90","","93.564","0.001","90","","4373.88","0.17","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 Ni O0.5 P4 -","- C52 H48 Ni O0.5 P4 -","- C208 H192 Ni4 O2 P16 -","4","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.0715","0.0419","","","0.0888","0.0989","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101208","21.3152","0.0009","8.0904","0.0005","21.7217","0.0013","90","","118.41","0.002","90","","3294.7","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 N3 Ni O3.25 P2 -","- C36 H38 N2 Ni O3.25 P2 -","- C144 H152 N8 Ni4 O13 P8 -","4","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.46409","","","0.0622","0.0501","","","0.1276","0.1338","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101209","18.3457","0.0007","8.277","0.0004","22.1729","0.0009","90","","93.078","0.002","90","","3362","0.2","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 N Ni O4 P2 -","- C37 H39 N Ni O4 P2 -","- C148 H156 N4 Ni4 O16 P8 -","4","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.1679","0.0782","","","0.1718","0.2182","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101210","9.1855","0.0007","9.2467","0.0007","10.3396","0.0006","90","","104.012","0.004","90","","852.07","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl N2 Se -","- C6 H11 Cl N2 Se -","- C24 H44 Cl4 N8 Se4 -","4","1","","Paul Ragogna; Jason L. Dutton; Michael C. Jennings; Jocelyn J. Tindale","The Direct Reaction of the tBu-DAB Ligand with SeCl4: A Redox Route to Selenium-Nitrogen Heterocycles","Chemical Communications","2006","","23","","","10.1039/b603777a","","","0.71073","MoKα","","0.0507","0.0326","","","0.0682","0.0738","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101211","14.5099","0.0004","10.4455","0.0002","16.7518","0.0007","90","","93.718","0.002","90","","2533.61","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 Cl6 N5 Se3 -","- C14 H25 Cl6 N5 Se3 -","- C56 H100 Cl24 N20 Se12 -","4","1","","Paul Ragogna; Jason L. Dutton; Michael C. Jennings; Jocelyn J. Tindale","The Direct Reaction of the tBu-DAB Ligand with SeCl4: A Redox Route to Selenium-Nitrogen Heterocycles","Chemical Communications","2006","","23","","","10.1039/b603777a","","","0.71073","MoKα","","0.0686","0.0532","","","0.123","0.1276","","","","","","1.207","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101212","12.7117","0.0005","9.9671","0.0004","11.0754","0.0004","90","","99.724","0.002","90","","1383.08","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl4 Ga N2 Se -","- C6 H11 Cl4 Ga N2 Se -","- C24 H44 Cl16 Ga4 N8 Se4 -","4","1","","Paul Ragogna; Jason L. Dutton; Michael C. Jennings; Jocelyn J. Tindale","The Direct Reaction of the tBu-DAB Ligand with SeCl4: A Redox Route to Selenium-Nitrogen Heterocycles","Chemical Communications","2006","","23","","","10.1039/b603777a","","","0.71073","MoKα","","0.0567","0.0377","","","0.09","0.0968","","","","","","1.015","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101213","6.655","0.003","13.109","0.006","13.715","0.006","91.663","0.004","96.45","0.004","104.721","0.004","1147.8","0.9","13","2","13","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 N4 O9 Ru S3 -","- C14 H28 N4 O9 Ru S3 -","- C28 H56 N8 O18 Ru2 S6 -","2","1","","Bowes, Katharine F.; Cole, Jacqueline M.; Husheer, Shamus L. G.; Raithby, Paul R.; Savarese, Teresa L.; Sparkes, Hazel A.; Teat, Simon J.; Warren, John E.","Photocrystallographic structure determination of a new geometric isomer of [Ru(NH3)4(H2O)(η1-OSO)][MeC6H4SO3]2","Chemical Communications (Cambridge, United Kingdom)","2006","","23","2448","2450","10.1039/b604039j","","","0.6896","synchrotron","","0.0695","0.0428","","","0.0877","0.0976","","","","","","1.012","","","","has coordinates,has disorder","208978","2020-10-21","18:00:00",""
"7101214","6.67","0.003","13.076","0.005","13.586","0.005","94.352","0.004","92.738","0.004","103.482","0.004","1146.4","0.8","13","2","13","2","","","","","","","","6","P -1","-P 1","2","[Ru(NH3)4(H2O)(SO2)][CH3C6H4SO3]2","","","- C14 H28 N4 O9 Ru S3 -","- C14 H28 N4 O9 Ru S3 -","- C28 H56 N8 O18 Ru2 S6 -","2","1","","Bowes, Katharine F.; Cole, Jacqueline M.; Husheer, Shamus L. G.; Raithby, Paul R.; Savarese, Teresa L.; Sparkes, Hazel A.; Teat, Simon J.; Warren, John E.","Photocrystallographic structure determination of a new geometric isomer of [Ru(NH3)4(H2O)(η1-OSO)][MeC6H4SO3]2","Chemical Communications (Cambridge, United Kingdom)","2006","","23","2448","2450","10.1039/b604039j","","","0.6896","synchrotron","","0.0341","0.0287","","","0.0675","0.0704","","","","","","1.001","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7101215","11.1364","0.0014","13.482","0.002","14.299","0.002","90","0.012","110.275","0.012","90","0.011","2013.8","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 N24 O4 -","- C30 H54 N24 O4 -","- C60 H108 N48 O8 -","2","0.5","","A.Kraft; A.F.Tominey; G.M.Rosair; D.Andrew; J.Dupre","Unusually weak binding interactions between tetrazole and amidines","Chemical Communications","2006","","23","","","10.1039/b604393c","","","0.71073","MoKα","","0.1479","0.1043","","","0.1277","0.1396","","","","","","1.257","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101216","15.1376","0.0018","15.2092","0.0018","26.3","0.003","73.271","0.002","77.508","0.002","82.596","0.002","5647.2","1.2","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C96 H144 Cl Mn N14 O28 Zn2 -","- C66 H58 Cl Mn N4 O10 Zn2 -","- C132 H116 Cl2 Mn2 N8 O20 Zn4 -","2","2","","Joseph Hupp; So-Hye Cho.; Baoqing Ma.; Sonbinh Nguyen.","A metal-organic framework material that functions as an enantioselective catalyst for olefin epoxidation","Chemical Communications","2006","","24","","","10.1039/b600408c","","","0.71073","MoKα","","0.1259","0.0635","","","0.1391","0.1536","","","","","","0.798","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101217","11.9811","0.0003","11.9811","0.0003","40.4968","0.0019","90","","90","","90","","5813.2","0.3","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C31 H35 F6 Fe N2 O P -","- C31 H35 F6 Fe N2 O P -","- C248 H280 F48 Fe8 N16 O8 P8 -","8","1","","G. C. W. Fu; E. Bappert; Peter Muller","Asymmetric [3+2] Annulations Catalyzed by a Planar-Chiral Derivative of DMAP","Chemical Communications","2006","","24","","","10.1039/b603172b","","","0.71073","MoKα","","0.0501","0.0405","","","0.0862","0.0904","","","","","","1.074","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101218","7.2277","0.0014","14.583","0.003","15.656","0.003","90","","90","","90","","1650.2","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O -","- C20 H17 Br O -","- C80 H68 Br4 O4 -","4","1","","G. C. W. Fu; E. Bappert; Peter Muller","Asymmetric [3+2] Annulations Catalyzed by a Planar-Chiral Derivative of DMAP","Chemical Communications","2006","","24","","","10.1039/b603172b","","","0.71073","MoKα","","0.0437","0.0328","","","0.0694","0.0728","","","","","","0.971","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101219","13.4122","0.0013","15.3616","0.0015","19.374","0.0018","68.031","0.002","85.944","0.002","65.854","0.001","3361.9","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H72.5 N4 O32.25 S5 -","- C57 H47 N4 O32.25 S5 -","- C114 H94 N8 O64.5 S10 -","2","1","","Yu Liu; Dong-Sheng Guo; Chun-Ju Li; Heng-Yi Zhang","Unique conformation and packing structure of p-sulfonatocalix[5]arene induced by 1,2-bis(pyridinium)ethane compounds","Chemical Communications","2006","","24","","","10.1039/b603569h","","","0.71073","MoKα","","0.109","0.0738","","","0.2122","0.2545","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101220","11.9113","0.0014","16.1145","0.0019","19.514","0.002","94.99","0.002","91.308","0.002","105.576","0.002","3590.2","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H65 N4 O25.5 S5 -","- C59 H46 N4 O25.5 S5 -","- C118 H92 N8 O51 S10 -","2","1","","Yu Liu; Dong-Sheng Guo; Chun-Ju Li; Heng-Yi Zhang","Unique conformation and packing structure of p-sulfonatocalix[5]arene induced by 1,2-bis(pyridinium)ethane compounds","Chemical Communications","2006","","24","","","10.1039/b603569h","","","0.71073","MoKα","","0.1872","0.118","","","0.3117","0.3824","","","","","","1.265","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101221","7.4491","0.0003","8.4985","0.0004","15.6646","0.0005","103.233","0.002","90.73","0.002","92.815","0.002","963.88","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H5 B F10 Fe O3 -","- C20 H5 B F10 Fe O3 -","- C40 H10 B2 F20 Fe2 O6 -","2","1","","S. Aldridge; A. Al-Fawaz; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Kevin M. Jones; Deborah L. Kays","Migratory insertion of [B(C6F5)2]- into C-H bonds: CO promoted boryl anion transfer","Chemical Communications","2006","","24","","","10.1039/B604141H","","","0.71073","MoKα","","0.0393","0.0319","","","0.0726","0.0761","","","","","","1.057","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101222","7.5733","0.0004","8.4751","0.0004","15.5751","0.0007","103.05","0.002","90.431","0.002","92.131","0.002","973.06","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H4 B F11 Fe O3 -","- C20 H4 B F11 Fe O3 -","- C40 H8 B2 F22 Fe2 O6 -","2","1","","S. Aldridge; A. Al-Fawaz; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Kevin M. Jones; Deborah L. Kays","Migratory insertion of [B(C6F5)2]- into C-H bonds: CO promoted boryl anion transfer","Chemical Communications","2006","","24","","","10.1039/B604141H","","","0.6751","synchrotron","","0.0378","0.0358","","","0.0992","0.1011","","","","","","1.045","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101223","39.823","0.0012","11.4629","0.0003","22.8543","0.0006","90","","90.923","0.001","90","","10431.3","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","hexaferrocenylbenzene, benzene solvate","","- C72 H60 Fe6 -","- C72 H60 Fe6 -","- C576 H480 Fe48 -","8","1","","Peter Vollhardt; Andrew D. Bond; Philip W. Leonard; Ulrich J. Lorenz; Tatiana V. Timofeeva; Glenn D. Whitener; Andrey A. Yakovenko; Yong Yu","Hexaferrocenylbenzene","Chemical Communications","2006","","24","","","10.1039/b604844g","","","0.71073","MoKα","","0.0765","0.0406","","","0.0903","0.1038","","","","","","1.012","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101224","44.218","0.011","11.535","0.002","22.898","0.005","90","","93.96","0.009","90","","11651","4","220","2","220","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","hexaferrocenylbenzene, 1,2-dichlorobenzene solvate","","- C69 H56 Cl Fe6 -","- C69 H56 Cl Fe6 -","- C552 H448 Cl8 Fe48 -","8","1","","Peter Vollhardt; Andrew D. Bond; Philip W. Leonard; Ulrich J. Lorenz; Tatiana V. Timofeeva; Glenn D. Whitener; Andrey A. Yakovenko; Yong Yu","Hexaferrocenylbenzene","Chemical Communications","2006","","24","","","10.1039/b604844g","","","0.685","synchrotron","","0.1325","0.1051","","","0.2779","0.2913","","","","","","1.041","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101225","11.9387","0.0007","12.4181","0.0007","15.7154","0.0009","99.808","0.001","100.205","0.001","115.062","0.001","1996.9","0.2","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","pentaferrocenylbenzene","","- C56 H46 Fe5 -","- C56 H46 Fe5 -","- C112 H92 Fe10 -","2","1","","Peter Vollhardt; Andrew D. Bond; Philip W. Leonard; Ulrich J. Lorenz; Tatiana V. Timofeeva; Glenn D. Whitener; Andrey A. Yakovenko; Yong Yu","Hexaferrocenylbenzene","Chemical Communications","2006","","24","","","10.1039/b604844g","","","0.71073","MoKα","","0.0617","0.05","","","0.1255","0.1329","","","","","","1.029","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101226","21.0124","0.0005","12.2354","0.0003","40.4132","0.0008","90","","94.812","0.001","90","","10353.4","0.4","155","2","155","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bromo-pentaferrocenylbenzene, 1,2-dichlorobenzene solvate","","- C65 H51 Br Cl3 Fe5 -","- C65 H51 Br Cl3 Fe5 -","- C520 H408 Br8 Cl24 Fe40 -","8","1","","Peter Vollhardt; Andrew D. Bond; Philip W. Leonard; Ulrich J. Lorenz; Tatiana V. Timofeeva; Glenn D. Whitener; Andrey A. Yakovenko; Yong Yu","Hexaferrocenylbenzene","Chemical Communications","2006","","24","","","10.1039/b604844g","","","0.71073","MoKα","","0.0905","0.0529","","","0.1129","0.1273","","","","","","1.018","","","","has coordinates,has disorder","180114","2020-10-21","18:00:00",""
"7101227","10.9153","0.0003","11.6153","0.0003","13.5364","0.0004","113.98","0.001","98.956","0.001","98.17","0.001","1508.32","0.07","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","1,2-dibromo-3,4,6-triferrocenylbenzene, dichloromethane solvate","","- C36.5 H29 Br2 Cl Fe3 -","- C36.5 H29 Br2 Cl Fe3 -","- C73 H58 Br4 Cl2 Fe6 -","2","1","","Peter Vollhardt; Andrew D. Bond; Philip W. Leonard; Ulrich J. Lorenz; Tatiana V. Timofeeva; Glenn D. Whitener; Andrey A. Yakovenko; Yong Yu","Hexaferrocenylbenzene","Chemical Communications","2006","","24","","","10.1039/b604844g","","","0.71073","MoKα","","0.0522","0.0425","","","0.1083","0.1141","","","","","","1.036","","","","has coordinates,has disorder","277870","2022-09-15","11:09:06",""
"7101228","14.0361","0.0013","16.0288","0.0013","16.2151","0.0012","74.367","0.007","87.552","0.007","65.633","0.009","3190.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H164 O56 V18 -","- C96 H154 O56 V18 -","- C96 H154 O56 V18 -","1","0.5","","Tidmarsh, Ian S.; Laye, Rebecca H.; Brearley, Paul R.; Shanmugam, Maheswaran; Sañudo, E. Carolina; Sorace, Lorenzo; Caneschi, Andrea; McInnes, Eric J. L.","A high-nuclearity, beyond ""fully reduced"" polyoxo(alkoxo)vanadium(III/IV) cage","Chemical Communications (Cambridge, United Kingdom)","2006","","24","2560","2562","10.1039/b605106e","","","0.71073","MoKα","","0.1238","0.0902","","","0.2386","0.2793","","","","","","0.994","","","","has coordinates,has disorder","287995","2023-12-04","15:21:20",""
"7101229","12.759","0.0012","14.3574","0.0014","15.6647","0.0017","88.148","0.009","83.9","0.008","82.349","0.008","2827.4","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.7 H66.8 Ca Cl3.8 Mn4 N3 O19.2 -","- C40.7 H42 Ca Cl3.8 Mn4 N3 O19.2 -","- C81.4 H84 Ca2 Cl7.6 Mn8 N6 O38.4 -","2","1","","Ian J. Hewitt; Jin-Kui Tang; N. T. Madhu; Rodolphe Clérac; Gernot Buth; Christopher E. Anson; Annie K. Powell","A series of new structural models for the OEC in photosystem II","Chemical Communications","2006","","25","","","10.1039/b518026k","","","0.79999","synchrotron","","0.134","0.0849","","","0.197","0.2277","","","","","","1.076","","","","has coordinates,has disorder","180114","2020-10-21","18:00:00",""
"7101230","50.422","0.002","50.422","0.002","10.6912","0.0008","90","","90","","120","","23540","2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C38.6 H55.9 Mn4 N11.1 Na O16.1 -","- C38.6 H46 Mn4 N11.1 Na O16.1 -","- C694.8 H828 Mn72 N199.8 Na18 O289.8 -","18","1","","Ian J. Hewitt; Jin-Kui Tang; N. T. Madhu; Rodolphe Clérac; Gernot Buth; Christopher E. Anson; Annie K. Powell","A series of new structural models for the OEC in photosystem II","Chemical Communications","2006","","25","","","10.1039/b518026k","","","0.71073","MoKα","","0.134","0.0505","","","0.0841","0.0923","","","","","","0.989","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101231","13.7526","0.0006","14.125","0.0007","15.6463","0.0007","90.093","0.001","94.081","0.001","110.122","0.001","2845.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H132 Cl Mn8 N23 Na2 O39 -","- C90 H108 Mn8 N23 Na2 O36 -","- C90 H108 Mn8 N23 Na2 O36 -","1","0.5","","Ian J. Hewitt; Jin-Kui Tang; N. T. Madhu; Rodolphe Clérac; Gernot Buth; Christopher E. Anson; Annie K. Powell","A series of new structural models for the OEC in photosystem II","Chemical Communications","2006","","25","","","10.1039/b518026k","","","0.71073","MoKα","","0.0994","0.0695","","","0.1961","0.2138","","","","","","0.994","","","","has coordinates,has disorder","180114","2020-10-21","18:00:00",""
"7101232","14.5623","0.0003","16.5684","0.0003","17.4742","0.0003","99.074","0.001","97.339","0.001","116.02","0.001","3648.03","0.12","120","1","293","2","","","","","","","","6","P 1","P 1","1","","","","- C111 H181 Cl14 O54 Pd2 S4 -","- C107 H170 Cl14 O54 Pd2 S4 -","- C107 H170 Cl14 O54 Pd2 S4 -","1","1","","D.Matt; D.Armspach; F.Balegroune; B.Bemmerad; P.Clair; L.Toupec","Sulfur-capped cyclodextrins: a new class of cavitands with extroverted as well as introverted donor functionalities","Chemical Communications","2006","","25","","","10.1039/b603400d","","","0.71069","MoKα","","0.0812","0.0686","","","0.1862","0.2024","","","","","","1.021","","","","has coordinates,has disorder","180114","2020-10-21","18:00:00",""
"7101233","16.4968","0.0002","15.7557","0.0002","27.3215","0.0004","90","","102.994","0.001","90","","6919.53","0.16","120","1","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C108 H190 Ag2 B2 F8 O57 S4 -","- C108 H190 Ag2 B2 F8 O57 S4 -","- C216 H380 Ag4 B4 F16 O114 S8 -","2","1","","D.Matt; D.Armspach; F.Balegroune; B.Bemmerad; P.Clair; L.Toupec","Sulfur-capped cyclodextrins: a new class of cavitands with extroverted as well as introverted donor functionalities","Chemical Communications","2006","","25","","","10.1039/b603400d","","","0.71069","MoKα","","0.085","0.0519","","","0.1287","0.1563","","","","","","0.821","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101234","4.8606","0.0004","6.724","0.0005","13.1788","0.0011","98.071","0.001","98.236","0.001","95.585","0.001","419.01","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 O4 Zn -","- C8 H8 O4 Zn -","- C16 H16 O8 Zn2 -","2","1","","Lee, Clare; Mellot-Draznieks, Caroline; Slater, Ben; Wu, G.; Harrison, William T. A.; Rao, C. N. R.; Cheetham, Anthony K.","Thermodynamic and kinetic factors in the hydrothermal synthesis of hybrid frameworks: zinc 4-cyclohexene-1,2-dicarboxylates","Chemical Communications (Cambridge, United Kingdom)","2006","","25","2687","2689","10.1039/b603512d","","","0.71073","MoKα","","0.0362","0.0343","","","0.0916","0.0925","","","","","","1.075","","","","has coordinates","287996","2023-12-04","15:31:12",""
"7101235","9.779","0.0002","12.026","0.0004","8.526","0.0003","90","","103.944","0.0017","90","","973.13","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 O6 Zn -","- C8 H12 O6 Zn -","- C32 H48 O24 Zn4 -","4","1","","Lee, Clare; Mellot-Draznieks, Caroline; Slater, Ben; Wu, G.; Harrison, William T. A.; Rao, C. N. R.; Cheetham, Anthony K.","Thermodynamic and kinetic factors in the hydrothermal synthesis of hybrid frameworks: zinc 4-cyclohexene-1,2-dicarboxylates","Chemical Communications (Cambridge, United Kingdom)","2006","","25","2687","2689","10.1039/b603512d","","","0.71073","MoKα","","0.0263","0.0225","","","0.0498","0.0516","","","","","","1.102","","","","has coordinates","287996","2023-12-04","15:31:13",""
"7101236","11.8544","0.0014","13.011","0.0013","11.8523","0.0013","90","","102.379","0.002","90","","1785.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O4 Zn -","- C8 H8 O4 Zn -","- C64 H64 O32 Zn8 -","8","2","","Lee, Clare; Mellot-Draznieks, Caroline; Slater, Ben; Wu, G.; Harrison, William T. A.; Rao, C. N. R.; Cheetham, Anthony K.","Thermodynamic and kinetic factors in the hydrothermal synthesis of hybrid frameworks: zinc 4-cyclohexene-1,2-dicarboxylates","Chemical Communications (Cambridge, United Kingdom)","2006","","25","2687","2689","10.1039/b603512d","","","0.71073","MoKα","","0.0678","0.0384","","","0.0855","0.0947","","","","","","1.084","","","","has coordinates","287996","2023-12-04","15:31:13",""
"7101237","14.949","0.002","14.949","0.002","41.966","0.008","90","","90","","90","","9378","3","90","2","90","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","Y3N@N-ethyl-3,4-fullero[80]pyrrolidine (5,6 isomer)","","","- C86.5 H9 N2 S5 Y3 -","- C86.5 H9 N2 S5 Y3 -","- C692 H72 N16 S40 Y24 -","8","1","","A. L. Balch; Claudia M. Cardona; Christopher J. Chancellor; Luis Echegoyen; Bevan Elliott; Marylin Olmstead; Jose Rivera","X-ray Crystallographic and EPR Spectroscopic Characterization of a Pyrrolidine Adduct of Y3N@C80","Chemical Communications","2006","","25","","","10.1039/b604011j","","","0.71073","MoKα","","0.0718","0.0569","","","0.1412","0.1507","","","","","","0.81","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101238","10.9513","0.0016","15.968","0.002","16.925","0.002","90","","100.384","0.002","90","","2911.1","0.7","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Mn2 N3 O8 P -","- C25 H34 Mn2 N3 O8 P -","- C100 H136 Mn8 N12 O32 P4 -","4","1","","A. Carty; Todd Graham; Konstantin A. Udachin","Reactivity of Electrophilic m-Phosphinidene Complexes with N-Heterocyclic Carbenes: Formation of the First Main Group Element Adducts of 'Abnormal Carbene' Ligands.","Chemical Communications","2006","","25","","","10.1039/b604150g","","","0.7107","MoKα","","0.035","0.0268","","","0.0671","0.0712","","","","","","1.031","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101239","11.2872","0.001","11.6939","0.001","20.7381","0.0018","89.924","0.001","74.93","0.001","75.553","0.001","2553.6","0.4","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H68 Co2 N3 O5.5 P3 -","- C51.96 H67.92 Co2 N3 O5.49 P3 -","- C103.92 H135.84 Co4 N6 O10.98 P6 -","2","1","","A. Carty; Todd Graham; Konstantin A. Udachin","Reactivity of Electrophilic m-Phosphinidene Complexes with N-Heterocyclic Carbenes: Formation of the First Main Group Element Adducts of 'Abnormal Carbene' Ligands.","Chemical Communications","2006","","25","","","10.1039/b604150g","","","0.7107","MoKα","","0.0492","0.0345","","","0.0893","0.0996","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101240","11.7937","0.0004","12.9224","0.0005","18.4121","0.0006","90","","90","","90","","2806.06","0.17","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H12 O3 -","- C19 H12 O3 -","- C152 H96 O24 -","8","2","","Wang, Chao-Yu; Yeh, Yu-Shan; Li, Elise Y.; Liu, Yi-Hong; Peng, Shiuh-Ming; Liu, Shiuh-Tzung; Chou, Pi-Tai","A new class of laser dyes, 2-oxa-bicyclo[3.3.0]octa-4,8-diene-3,6-diones, with unity fluorescence yield","Chemical Communications (Cambridge, United Kingdom)","2006","","25","2693","2695","10.1039/b604539a","","","0.71073","MoKα","","0.1092","0.0692","","","0.1411","0.1765","","","","","","1.039","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7101241","17.1297","0.0003","8.2098","0.0002","19.4751","0.0004","90","","100.074","0.0008","90","","2696.6","0.1","190","","190","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H34 N2 O -","- C33 H34 N2 O -","- C132 H136 N8 O4 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Goddard, Euan C.; Kruchinin, Dennis; Roberts, Paul M.; Rodriguez-Solla, Humberto; Smith, Andrew D.","Lithium amide conjugate addition for the asymmetric synthesis of 3-aminopyrrolidines","Chemical Communications (Cambridge, United Kingdom)","2006","","25","2664","2666","10.1039/b604835h","","","0.71073","MoKα","","0.0373","0.0321","","0.035","0.0325","0.0325","","","","","","1.1889","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7101242","4.8971","0.0008","7.7453","0.0013","23.813","0.004","85.109","0.003","88.701","0.003","76.425","0.003","874.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4,6-Bis-methylcarbamonyl-nonanedioic acid bis-methylamide","","","- C15 H28 N4 O4 -","- C15 H28 N4 O4 -","- C30 H56 N8 O8 -","2","1","","Sanjayan Gangadhar; R. G. Gonnade; Amol Kendhale; P. R. Rajamohanan","Isotactic N-Acrylamide Oligomers Assume self-assembled Sheet Structure: First Unequivocal Evidence From Crystal Structures","Chemical Communications","2006","","26","","","10.1039/b601317a","","","0.71073","MoKα","","0.0555","0.0485","","","0.1302","0.1355","","","","","","1.088","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101243","9.676","0.003","12.826","0.004","17.434","0.006","90","","90","","90","","2163.6","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,6-Bis-methylcabamoyl-2,2,8,8-Tetramethyl carbamoyl- nonanedioic acid bis-methylamide","","","- C19 H36 N4 O4 -","- C19 H36 N4 O4 -","- C76 H144 N16 O16 -","4","1","","Sanjayan Gangadhar; R. G. Gonnade; Amol Kendhale; P. R. Rajamohanan","Isotactic N-Acrylamide Oligomers Assume self-assembled Sheet Structure: First Unequivocal Evidence From Crystal Structures","Chemical Communications","2006","","26","","","10.1039/b601317a","","","0.71073","MoKα","","0.1227","0.0574","","","0.107","0.124","","","","","","0.961","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101244","5.363","0.0017","8.92","0.003","19.406","0.006","78.674","0.005","86.6","0.006","85.002","0.005","905.9","0.5","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H38 S12 -","- C30 H38 S12 -","- C30 H38 S12 -","1","0.5","","Gao, Xike; Wu, Weiping; Liu, Yunqi; Qiu, Wenfeng; Sun, Xiaobo; Yu, Gui; Zhu, Daoben","A facile synthesis of linear benzene-fused bis(tetrathiafulvalene) compounds and their application for organic field-effect transistors","Chemical Communications (Cambridge, United Kingdom)","2006","","26","2750","2752","10.1039/b603632e","","","0.71073","MoKα","","0.0702","0.0443","","","0.0954","0.1098","","","","","","1.019","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7101245","15.2573","0.0009","15.2573","0.0009","21.4188","0.0018","90","","90","","120","","4318","0.5","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C52 H40 Ag2 Cl1.67 N12.33 O7.67 -","- C52 H40 Ag2 Cl1.66 N12.34 O7.65 -","- C156 H120 Ag6 Cl4.98 N37.02 O22.95 -","3","0.5","","Sun, Qiaozhen; Bai, Yan; He, Guangjie; Duan, Chunying; Lin, Zhihua; Meng, Qingjin","Spontaneous resolution of silver double helicates consisting of achiral ligands with several aromatic rings","Chemical Communications (Cambridge, United Kingdom)","2006","","26","2777","2779","10.1039/b604066g","","","0.71073","MoKα","","0.1639","0.0608","","","0.1065","0.1187","","","","","","1.041","","","","has coordinates,has disorder","208978","2020-10-21","18:00:00",""
"7101246","14.1473","0.0005","14.1473","0.0005","23.316","0.0018","90","","90","","120","","4041.4","0.4","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C46 H46 Ag2 N18 O9 -","- C46 H36 Ag2 N18 O9 -","- C138 H108 Ag6 N54 O27 -","3","0.5","","Sun, Qiaozhen; Bai, Yan; He, Guangjie; Duan, Chunying; Lin, Zhihua; Meng, Qingjin","Spontaneous resolution of silver double helicates consisting of achiral ligands with several aromatic rings","Chemical Communications (Cambridge, United Kingdom)","2006","","26","2777","2779","10.1039/b604066g","","","0.71073","MoKα","","0.1005","0.0553","","","0.1376","0.1484","","","","","","1.02","","","","has coordinates,has disorder","208978","2020-10-21","18:00:00",""
"7101247","14.165","0.001","14.165","0.001","23.145","0.003","90","","90","","120","","4021.8","0.7","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C46 H46 Ag2 N18 O9 -","- C46 H36 Ag2 N18 O9 -","- C138 H108 Ag6 N54 O27 -","3","0.5","","Sun, Qiaozhen; Bai, Yan; He, Guangjie; Duan, Chunying; Lin, Zhihua; Meng, Qingjin","Spontaneous resolution of silver double helicates consisting of achiral ligands with several aromatic rings","Chemical Communications (Cambridge, United Kingdom)","2006","","26","2777","2779","10.1039/b604066g","","","0.71073","MoKα","","0.0833","0.0609","","","0.1567","0.1673","","","","","","1.037","","","","has coordinates,has disorder","208978","2020-10-21","18:00:00",""
"7101248","15.3556","0.0018","15.3556","0.0018","21.479","0.005","90","","90","","120","","4386.1","1.2","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C52 H40 Ag2 Cl1.67 N12.33 O7.67 -","- C52 H40 Ag2 Cl1.67 N12.33 O7.67 -","- C156 H120 Ag6 Cl5.01 N36.99 O23.01 -","3","0.5","","Sun, Qiaozhen; Bai, Yan; He, Guangjie; Duan, Chunying; Lin, Zhihua; Meng, Qingjin","Spontaneous resolution of silver double helicates consisting of achiral ligands with several aromatic rings","Chemical Communications (Cambridge, United Kingdom)","2006","","26","2777","2779","10.1039/b604066g","","","0.71073","MoKα","","0.0791","0.0606","","","0.1451","0.1539","","","","","","1.031","","","","has coordinates,has disorder","208978","2020-10-21","18:00:00",""
"7101249","25.507","0.003","25.507","0.003","25.507","0.003","90","","90","","90","","16594","3","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Ferrocene@MOF-5","","","- C94 H82 Fe7 O13 Zn4 -","- C93.9 H72 Fe7 O13 Zn4 -","- C751.2 H576 Fe56 O104 Zn32 -","8","0.333333","","Kim, Hyunuk; Chun, Hyungphil; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon","Vapor phase inclusion of ferrocene and its derivative in a microporous metal–organic porous material and its structural characterization by single crystal X-ray diffraction","Chemical Communications (Cambridge, United Kingdom)","2006","","26","2759","2761","10.1039/b604925g","","","0.8","whitebeam","","0.0657","0.063","","","0.1412","0.142","","","","","","1.241","","","","has coordinates","287997","2023-12-04","15:34:59",""
"7101250","8.8531","0.0008","10.122","0.002","12.351","0.002","85.224","0.005","85.589","0.003","76.189","0.002","1069.2","0.3","297.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C50 H62 N2 O4 -","2","1","","Yoshinao Tamaru; Masanari Kimura; Keisuke Kojima; Masahiko Mori; Nahoko Mukai","Nickel catalyzed stereoselective conjugate addition of dimethylzinc upon aldimines across 1,?-dienynes","Chemical Communications","2006","","26","","","10.1039/b605728d","","","0.7107","MoKα","","","0.0627","","","","0.145","","","","","","1.638","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101251","26.946","0.002","9.5581","0.0009","7.5203","0.0007","90","","93.208","0.001","90","","1933.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N4 O11 S2 -","- C12 H26 N4 O11 S2 -","- C48 H104 N16 O44 S8 -","4","1","","Samar Das; Pallepogu Raghavaiah; Sabbani Supriya","Sulphate anion helices formed by the assistance of a flip-flop water chain","Chemical Communications","2006","","26","","","10.1039/b605899j","","","0.71073","MoKα","","0.0394","0.0382","","","0.1009","0.1016","","","","","","1.131","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101252","12.618","0.005","12.87","0.03","13.317","0.008","92.24","0.09","106.25","0.03","90.97","0.1","2074","5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","diiodotetrathiafulvalene-hexanuclear-rhenium-seleno-cyanide tetraphenylphosphonium complex","","","- C30 H21 I N3 P Re3 S2 Se4 -","- C30 H21 I N3 P Re3 S2 Se4 -","- C60 H42 I2 N6 P2 Re6 S4 Se8 -","2","1","","Ranganathan, Anupama; El-Ghayoury, Abdelkrim; Mézière, Cécile; Harté, Etienne; Clérac, Rodolphe; Batail, Patrick","Balancing framework densification with charged, halogen-bonded-π-conjugated linkages: [PPh4]2{[E-TTF‒I2][Re6Se8(CN)6]} versus [PPh4]2[EDT-TTF‒I]2{[EDT-TTF‒I][Re6Se8(CN)6]}","Chemical Communications (Cambridge, United Kingdom)","2006","","27","2878","2880","10.1039/b600159a","","","0.71073","MoKα","","0.2516","0.1025","","","0.2486","0.3525","","","","","","0.938","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101253","12.86","0.001","13.371","0.001","16.23","0.001","65.92","0.01","74.42","0.01","74.69","0.01","2416.1","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","iodo-ethylenedithiotetrathiafulvalene-hexanuclear-rhenium- selenocyanide tetraphenylphosphonium complex","","","- C26 H18.33 I N2 P0.67 Re2 S6 Se2.67 -","- C26 H18 I N2 P0.666667 Re2 S6 Se2.66667 -","- C78 H54 I3 N6 P2 Re6 S18 Se8 -","3","1.5","","Ranganathan, Anupama; El-Ghayoury, Abdelkrim; Mézière, Cécile; Harté, Etienne; Clérac, Rodolphe; Batail, Patrick","Balancing framework densification with charged, halogen-bonded-π-conjugated linkages: [PPh4]2{[E-TTF‒I2][Re6Se8(CN)6]} versus [PPh4]2[EDT-TTF‒I]2{[EDT-TTF‒I][Re6Se8(CN)6]}","Chemical Communications (Cambridge, United Kingdom)","2006","","27","2878","2880","10.1039/b600159a","","","0.71073","MoKα","","0.1251","0.0542","","","0.1364","0.1741","","","","","","1.107","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101254","18.6363","0.0013","46.435","0.003","34.874","0.003","90","","90","","90","","30179","4","298","2","298","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C60 H72 Cu12 N24 -","- C60 H72 Cu12 N24 -","- C960 H1152 Cu192 N384 -","16","1","","Jun He; Ye-Gao Yin; Tao Wu; Dan Li","Design and solvothermal synthesis of luminescent copper(I)-pyrazolate coordination oligomer and polymer frameworks","Chemical Communications","2006","","27","","","10.1039/b601009a","","","0.71073","MoKα","","0.0747","0.0487","","","0.1048","0.1181","","","","","","1.013","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101255","8.5774","0.0008","10.2884","0.001","11.4238","0.0011","69.526","0.001","75.178","0.002","81.239","0.002","910.82","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 Cu3 N6 -","- C15 H21 Cu3 N6 -","- C30 H42 Cu6 N12 -","2","1","","Jun He; Ye-Gao Yin; Tao Wu; Dan Li","Design and solvothermal synthesis of luminescent copper(I)-pyrazolate coordination oligomer and polymer frameworks","Chemical Communications","2006","","27","","","10.1039/b601009a","","","0.71073","MoKα","","0.0381","0.0327","","","0.0838","0.0873","","","","","","1.014","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101256","8.2767","0.0008","10.7033","0.0012","29.205","0.003","90","","90","","90","","2587.2","0.5","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 Fe O4 P -","- C29 H31 Fe O4 P -","- C116 H124 Fe4 O16 P4 -","4","1","","Weiping Chen.; Stanley Roberts; John Whittall","Efficient and Highly Stereoselective Syntheses of New P-Chiral 1,5-Diphosphanylferrocene Ligands and Their Use in Enantioselective Hydrogenation","Chemical Communications","2006","","27","","","10.1039/b601952h","","","0.71073","MoKα","","0.0952","0.0586","","","0.1201","0.1319","","","","","","0.965","","","","has coordinates,has disorder","180114","2020-10-21","18:00:00",""
"7101257","9.21","0.004","7.142","0.003","20.061","0.008","90","","94.636","0.007","90","","1315.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H31 Fe O3 P -","- C32 H31 Fe O3 P -","- C64 H62 Fe2 O6 P2 -","2","1","","Weiping Chen.; Stanley Roberts; John Whittall","Efficient and Highly Stereoselective Syntheses of New P-Chiral 1,5-Diphosphanylferrocene Ligands and Their Use in Enantioselective Hydrogenation","Chemical Communications","2006","","27","","","10.1039/b601952h","","","0.71073","MoKα","","0.0898","0.0455","","","0.0919","0.1149","","","","","","0.99","","","","has coordinates,has disorder","180114","2020-10-21","18:00:00",""
"7101258","6.446","","6.446","","14.444","","90","","98.14","","90","","594.1","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H10 Cu N2 O4 -","- C13 H10 Cu N2 O4 -","- C26 H20 Cu2 N4 O8 -","2","1","","Catalina Ruiz-Perez; Javier Campo; Miguel Julve; F. Lloret; Jorge Pasan; Joaquin Sanchiz","Metamagnetism in hydrophobically induced carboxylate (phenylmalonate)-bridged copper(II) layers","Chemical Communications","2006","","27","","","10.1039/b602144a","","x-ray","0.71073","MoKα","","0.1344","0.1253","","","0.3153","0.3233","","","","","","1.411","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101259","17.5457","0.0006","12.8691","0.0004","23.3783","0.0008","90","","104.362","0.001","90","","5113.8","0.3","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(2L)Zn2Cl4(ethanol)2","","","- C47 H52 Cl4 N10 O4 Zn2 -","- C47 H52 Cl4 N10 O4 Zn2 -","- C188 H208 Cl16 N40 O16 Zn8 -","4","1","","Klinkel, K.; L.A.Kiemele; D.L.Gin; J.R.Hagadorn","Rapid phosphate ester hydrolysis catalyzed by bimetallic tetrabenzimidazole complexes.","Chemical Communications","2006","","27","","","10.1039/b602769e","","","0.71073","MoKα","","0.1317","0.0676","","","0.1504","0.1766","","","","","","1.02","","","","has coordinates,has disorder","180114","2020-10-21","18:00:00",""
"7101260","12.3747","0.0004","13.7692","0.0005","14.0177","0.0005","93.14","0.001","111.015","0.001","93.478","0.001","2217.98","0.13","152","2","152","2","","","","","","","","6","P -1","-P 1","2","(1L)Zn2Cl4(ethanol)2(water)2","","","- C39 H50 Cl4 N10 O5 Zn2 -","- C39 H46 Cl4 N10 O5 Zn2 -","- C78 H92 Cl8 N20 O10 Zn4 -","2","1","","Klinkel, K.; L.A.Kiemele; D.L.Gin; J.R.Hagadorn","Rapid phosphate ester hydrolysis catalyzed by bimetallic tetrabenzimidazole complexes.","Chemical Communications","2006","","27","","","10.1039/b602769e","","","0.71073","MoKα","","0.117","0.0799","","","0.1967","0.2252","","","","","","1.021","","","","has coordinates,has disorder","180114","2020-10-21","18:00:00",""
"7101261","10.0786","0.0006","11.3145","0.0007","11.3378","0.0007","78.439","0.001","72.441","0.001","74.632","0.001","1178.34","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PhNHSO2NHPh","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C48 H48 N8 O8 S4 -","4","2","","Alexander V. Leontiev; H. V. Rasika Dias; Dmitry M. Rudkevich","Sulfamides and sulfamide polymers directly from sulfur dioxide","Chemical Communications","2006","","27","","","10.1039/b605063h","","","0.71073","MoKα","","0.0442","0.0371","","","0.0929","0.0988","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101262","8.8506","0.0006","9.9988","0.0007","15.2627","0.0011","90","","101.152","0.001","90","","1325.17","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C18H18N4S2O4.2(acetone)","","","- C24 H30 N4 O6 S2 -","- C24 H30 N4 O6 S2 -","- C48 H60 N8 O12 S4 -","2","0.5","","Alexander V. Leontiev; H. V. Rasika Dias; Dmitry M. Rudkevich","Sulfamides and sulfamide polymers directly from sulfur dioxide","Chemical Communications","2006","","27","","","10.1039/b605063h","","","0.71073","MoKα","","0.0407","0.0362","","","0.0927","0.097","","","","","","1.075","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101263","4.07036","0.00008","4.07036","","17.8721","0.0004","90","","90","","90","","296.101","0.015","295","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Strontium lithium manganese oxide sulfide","","- Li1.89 Mn O2 S2 Sr2 -","- Li1.886 Mn O2 S2 Sr2 -","- Li3.772 Mn2 O4 S4 Sr4 -","2","0.0625","","Simon Clarke; Oliver J. Rutt; Gareth R. Williams","Reversible lithium insertion and copper extrusion in layered oxysulfides","Chemical Communications","2006","","27","","","10.1039/b605105g","powder diffraction","","","","","","","","","","","","","1.91","","","","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101264","3.61696","0.00006","3.61696","","3.61696","","90","","90","","90","","47.318","0.002","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Cu -","- Cu -","- Cu4 -","4","0.0208333","","Simon Clarke; Oliver J. Rutt; Gareth R. Williams","Reversible lithium insertion and copper extrusion in layered oxysulfides","Chemical Communications","2006","","27","","","10.1039/b605105g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101265","6.019","0.0007","6.019","","6.019","","90","","90","","90","","218.05","0.08","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- S Sr -","- S Sr -","- S4 Sr4 -","4","0.0208333","","Simon Clarke; Oliver J. Rutt; Gareth R. Williams","Reversible lithium insertion and copper extrusion in layered oxysulfides","Chemical Communications","2006","","27","","","10.1039/b605105g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101266","5.1326","0.0007","5.1326","","5.1326","","90","","90","","90","","135.21","0.06","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O Sr -","- O Sr -","- O4 Sr4 -","4","0.0208333","","Simon Clarke; Oliver J. Rutt; Gareth R. Williams","Reversible lithium insertion and copper extrusion in layered oxysulfides","Chemical Communications","2006","","27","","","10.1039/b605105g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101267","3.026","0.0005","3.026","","3.026","","90","","90","","90","","27.708","0.014","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Simon Clarke; Oliver J. Rutt; Gareth R. Williams","Reversible lithium insertion and copper extrusion in layered oxysulfides","Chemical Communications","2006","","27","","","10.1039/b605105g","powder diffraction","neutron","","","","","","","","","","0.03845","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101268","4.05416","0.00009","4.05416","","11.79624","0.00034","90","","90","","90","","193.885","0.011","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Strontium lithium manganese oxide sulfide","","- Li3.62 Mn O2 S3 Sr2 -","- Li3.616 Mn O2 S3 Sr2 -","- Li3.616 Mn O2 S3 Sr2 -","1","0.0625","","Simon Clarke; Oliver J. Rutt; Gareth R. Williams","Reversible lithium insertion and copper extrusion in layered oxysulfides","Chemical Communications","2006","","27","","","10.1039/b605105g","powder diffraction","","","","","","","","","","","","","1.35","","","","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101269","3.61447","0.00005","3.61447","","3.61447","","90","","90","","90","","47.221","0.002","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Cu -","- Cu -","- Cu4 -","4","0.0208333","","Simon Clarke; Oliver J. Rutt; Gareth R. Williams","Reversible lithium insertion and copper extrusion in layered oxysulfides","Chemical Communications","2006","","27","","","10.1039/b605105g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101270","3.02658","0.00028","3.02658","","3.02658","","90","","90","","90","","27.724","0.008","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Simon Clarke; Oliver J. Rutt; Gareth R. Williams","Reversible lithium insertion and copper extrusion in layered oxysulfides","Chemical Communications","2006","","27","","","10.1039/b605105g","powder diffraction","neutron","","","","","","","","","","0.06959","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101271","10.9881","0.0009","20.1333","0.0016","12.905","0.001","90","","103.364","0.0014","90","","2777.6","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,2'-dihydroxy-3,3',4,4',5,5',6,6',7,7',8,8'-dodecafluoro- 1,1'-binaphthyl bis(diethylether) adduct","","","- C28 H22 F12 O4 -","- C28 H22 F12 O4 -","- C112 H88 F48 O16 -","4","1","","W.Piers; Robert McDonald; Darryl J. Morrison; Masood Parvez; Susanne D. Riegel","2,2'-Disubstituted F12Binaphthyl Derivatives: Stannanes, Boranes, and (R)-F12BINOL","Chemical Communications","2006","","27","","","10.1039/b605716k","","","0.71073","MoKα","","0.088","0.0448","","","0.1128","0.1363","","","","","","1.003","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101272","13.1128","0.0002","23.9042","0.0005","10.194","0.0002","90","","90","","90","","3195.32","0.1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,3',4,4',5,5',6,6',7,7',8,8'-dodecafluoro-1,1'-binaphthyl","","","- C20 H2 F12 -","- C20 H2 F12 -","- C160 H16 F96 -","8","1","","W.Piers; Robert McDonald; Darryl J. Morrison; Masood Parvez; Susanne D. Riegel","2,2'-Disubstituted F12Binaphthyl Derivatives: Stannanes, Boranes, and (R)-F12BINOL","Chemical Communications","2006","","27","","","10.1039/b605716k","","","0.71069","MoKα","","0.0649","0.0407","","","0.1084","0.1298","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101273","35.88","0.006","12.916","0.009","25.835","0.01","90","","126.545","0.016","90","","9619","8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-Bromoboryl-3,3',4,4',5,5',6,6',7,7',8,8'-dodecafluoro-1,1'- binaphthyl dimer","","","- C54 H16 B2 Br2 F24 -","- C54 H16 B2 Br2 F24 -","- C432 H128 B16 Br16 F192 -","8","1","","W.Piers; Robert McDonald; Darryl J. Morrison; Masood Parvez; Susanne D. Riegel","2,2'-Disubstituted F12Binaphthyl Derivatives: Stannanes, Boranes, and (R)-F12BINOL","Chemical Communications","2006","","27","","","10.1039/b605716k","","","0.71073","MoKα","","0.1143","0.0772","","","0.1888","0.2114","","","","","","1.125","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101274","10.1781","0.0012","12.7075","0.0015","11.4937","0.0014","90","","99.4442","0.0017","90","","1466.4","0.3","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-(-)-bis((S)-2acetoxypropionato)- 3,3',4,4',5,5',6,6',7,7',8,8'-dodecafluoro-1,1'-binaphthyl","","","- C30 H14 F12 O8 -","- C30 H14 F12 O8 -","- C60 H28 F24 O16 -","2","1","","W.Piers; Robert McDonald; Darryl J. Morrison; Masood Parvez; Susanne D. Riegel","2,2'-Disubstituted F12Binaphthyl Derivatives: Stannanes, Boranes, and (R)-F12BINOL","Chemical Communications","2006","","27","","","10.1039/b605716k","","","0.71073","MoKα","","0.0378","0.0316","","","0.0798","0.0837","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101275","10.986","0.005","10.986","0.005","13.853","0.005","90","","90","","90","","1671.9","1.2","153","2","153","2","","","","","","","","3","P 43","P 4cw","78","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","1","","A.Cowley; Nicholas Hill; Jennifer Moore; Gregor Reeske; Kalyan Vasudevan","Facile Routes to Alkyl-BIAN ligands","Chemical Communications","2006","","27","","","10.1039/b606390j","","","0.71069","MoKα","","0.0817","0.0465","","","0.1008","0.1342","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101276","9.965","0.005","11.003","0.005","11.964","0.005","92.589","0.005","105.67","0.005","108.86","0.005","1182.5","0.9","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H36 N2 -","- C32 H36 N2 -","- C64 H72 N4 -","2","1","","A.Cowley; Nicholas Hill; Jennifer Moore; Gregor Reeske; Kalyan Vasudevan","Facile Routes to Alkyl-BIAN ligands","Chemical Communications","2006","","27","","","10.1039/b606390j","","","0.71069","MoKα","","0.2018","0.0595","","","0.1194","0.2003","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101277","11.276","0.005","20.656","0.005","9.43","0.005","90","0.005","93.968","0.005","90","0.005","2191.1","1.6","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H27 Cl2 N3 Zn -","- C22 H27 Cl2 N3 Zn -","- C88 H108 Cl8 N12 Zn4 -","4","1","","A.Cowley; Nicholas Hill; Jennifer Moore; Gregor Reeske; Kalyan Vasudevan","Facile Routes to Alkyl-BIAN ligands","Chemical Communications","2006","","27","","","10.1039/b606390j","","","0.71069","MoKα","","0.0581","0.0374","","","0.0707","0.0778","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7101278","21.339","0.005","11.819","0.005","16.806","0.005","90","","90.076","0.005","90","","4239","2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 F6 N2 -","- C26 H14 F6 N2 -","- C208 H112 F48 N16 -","8","2","","A.Cowley; Nicholas Hill; Jennifer Moore; Gregor Reeske; Kalyan Vasudevan","Facile Routes to Alkyl-BIAN ligands","Chemical Communications","2006","","27","","","10.1039/b606390j","","","0.71069","MoKα","","0.1372","0.0597","","","0.1347","0.1691","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101279","12.7729","0.0007","7.4551","0.0004","17.0731","0.0008","90","","107.236","0.004","90","","1552.75","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 I N O2 -","- C15 H20 I N O2 -","- C60 H80 I4 N4 O8 -","4","2","","Wood, Mark E.; Penny, Mark J.; Steere, Jenny S.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.","A general route to protected quaternary α-amino acids from β-amino alcohols via a stereocontrolled radical approach","Chemical Communications (Cambridge, United Kingdom)","2006","","28","2983","2985","10.1039/b604123j","","","0.71073","MoKα","","0.0526","0.037","","","0.0728","0.0787","","","","","","1.055","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101280","7.6733","0.0006","13.63","0.002","15.8871","0.0019","90","","90","","90","","1661.6","0.3","120","2","120","2","","","","","","","ME Wood","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","","Wood, Mark E.; Penny, Mark J.; Steere, Jenny S.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.","A general route to protected quaternary α-amino acids from β-amino alcohols via a stereocontrolled radical approach","Chemical Communications (Cambridge, United Kingdom)","2006","","28","2983","2985","10.1039/b604123j","","","0.71073","MoKα","","0.0345","0.0304","","","0.0723","0.0751","","","","","","1.063","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101281","8.5","0.01","10.36","0.01","11.84","0.01","67.11","0.04","86.56","0.05","85.39","0.05","956","2","123.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","2","","Miao, Jian-Jun; Fu, Rui-Ling; Zhu, Jian-Min; Xu, Ke; Zhu, Jun-Jie; Chen, Hong-Yuan","Fabrication of Cd(OH)2 nanorings by ultrasonic chiselling on Cd(OH)2 nanoplates","Chemical Communications (Cambridge, United Kingdom)","2006","","28","3013","3015","10.1039/b604688f","","","0.7107","MoKα","","","0.038","","","","0.041","","","","","","0.737","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101282","13.4259","0.0016","8.8327","0.0011","20.209","0.002","90","","102.601","0.002","90","","2338.8","0.5","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","1","","Miao, Jian-Jun; Fu, Rui-Ling; Zhu, Jian-Min; Xu, Ke; Zhu, Jun-Jie; Chen, Hong-Yuan","Fabrication of Cd(OH)2 nanorings by ultrasonic chiselling on Cd(OH)2 nanoplates","Chemical Communications (Cambridge, United Kingdom)","2006","","28","3013","3015","10.1039/b604688f","","","0.71073","MoKα","","0.0416","0.0394","","","0.0996","0.1015","","","","","","1.011","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7101283","11.9213","0.0015","8.9492","0.0011","13.3176","0.0017","90","","102.097","0.002","90","","1389.3","0.3","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Miao, Jian-Jun; Fu, Rui-Ling; Zhu, Jian-Min; Xu, Ke; Zhu, Jun-Jie; Chen, Hong-Yuan","Fabrication of Cd(OH)2 nanorings by ultrasonic chiselling on Cd(OH)2 nanoplates","Chemical Communications (Cambridge, United Kingdom)","2006","","28","3013","3015","10.1039/b604688f","","","0.71073","MoKα","","0.0734","0.0577","","","0.1203","0.1272","","","","","","1.066","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7101284","18.3896","0.0014","26.778","0.002","4.7968","0.0004","90","","90","","90","","2362.1","0.3","90","2","90","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","0.5","","Miao, Jian-Jun; Fu, Rui-Ling; Zhu, Jian-Min; Xu, Ke; Zhu, Jun-Jie; Chen, Hong-Yuan","Fabrication of Cd(OH)2 nanorings by ultrasonic chiselling on Cd(OH)2 nanoplates","Chemical Communications (Cambridge, United Kingdom)","2006","","28","3013","3015","10.1039/b604688f","","","0.71073","MoKα","","0.0324","0.032","","","0.0836","0.0839","","","","","","1.105","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101285","16.226","0.008","7.032","0.003","20.203","0.014","90","","128.55","0.03","90","","1802.8","1.9","120","","120","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F Mn O2 Si -","- C20 H18 F Mn O2 Si -","- C80 H72 F4 Mn4 O8 Si4 -","4","1","","Scherer, W.; Eickerling, G.; Maxim Tafipolsky; McGrady, G. S.; Sirsch, P.; Chatterton, N. P.","Elucidation of the bonding in Mn(η^2^-SiH) complexes by charge density analysis and T~1~ NMR Measurements: asymmetric oxidative addition and anomeric effects at silicon","Chemical Communications","2006","","28","","","10.1039/b604843a","","","0.71073","MoKa","","0.0207","0.0401","","","","0.0599","0.0227","","","","","0.9643","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101286","26.332","0.005","28.646","0.005","29.686","0.005","90","","104.993","0.003","90","","21630","7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C-pentylpyrogallol(4)arene gallium acetone adduct","C-pentylpyrogallol[4]arene gallium acetone adduct","","- C341.33 H403.33 Ga12 O137 -","- C341.34 H403.34 Ga12 O137 -","- C682.68 H806.68 Ga24 O274 -","2","0.5","","Robert M. McKinaly; Praveen K. Thallapally; J. L. Atwood","Hexameric C-alkylpyrogallol[4]arene Molecular Capsules Sustained by Metal-ion Coordination and Hydrogen Bonds","Chemical Communications","2006","","28","","","10.1039/b605204e","","","0.71073","MoKα","","0.1828","0.1195","","","0.3365","0.4081","","","","","","1.445","","","","has coordinates,has disorder","180114","2020-10-21","18:00:00",""
"7101287","41.443","0.004","29.295","0.003","36.851","0.004","90","","112.666","0.002","90","","41285","7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C-pentylpyrogallol(4)arene gallium hexamer acetonitrile","C-pentylpyrogallol[4]arene gallium hexamer acetonitrile","","- C300 H292 Ga12 N8 O119 -","- C300 H292 Ga12 N8 O119 -","- C1200 H1168 Ga48 N32 O476 -","4","0.5","","Robert M. McKinaly; Praveen K. Thallapally; J. L. Atwood","Hexameric C-alkylpyrogallol[4]arene Molecular Capsules Sustained by Metal-ion Coordination and Hydrogen Bonds","Chemical Communications","2006","","28","","","10.1039/b605204e","","","0.71073","MoKα","","0.3214","0.1324","","","0.3445","0.4622","","","","","","1.18","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101288","17.746","0.003","20.587","0.004","13.232","0.003","90","","90","","90","","4834.1","1.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C H22.5 Ag1.34 K3.67 O48.25 P W11 -","- C Ag1.335 K3.665 O48.25 P W11 -","- C4 Ag5.34 K14.66 O193 P4 W44 -","4","1","","H.I.S.Nogueira; F.A.Almeida Paz; P.A.F.Teixeira; J.Klinowski","One-dimensional silver(I) chain of lacunary α-Keggin anions","Chemical Communications","2006","","28","","","10.1039/b605973b","","","0.71073","MoKα","","0.1215","0.0604","","","0.1222","0.1538","","","","","","1.044","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101289","6.519","0.003","17.392","0.007","16.169","0.008","90","","101.43","0.05","90","","1796.9","1.4","307","2","307","2","","","","","","","synthetic","6","P 1 21/c 1","-P 2ybc","14","Tricarbonyl(2-trifluoromethylsulfonylphenol)chromium(0) tetrahydrofurane solvate","Tricarbonyl(2-trifluoromethylsulfonylphenol)chromium(0) tetrahydrofurane solvate","","- C14 H13 Cr F3 O7 S -","- C14 H13 Cr F3 O7 S -","- C56 H52 Cr4 F12 O28 S4 -","4","1","","Zhao, Z.; J.Messinger; U.Schon; R.Wartchow; H.Butenschon","Unanticipated Formation of ortho Sulfone Substituted Phenols by Anionic Thia-Fries Rearrangement of Aryl Triflate Tricarbonylchromium Complexes","Chemical Communications","2006","","28","","","10.1039/b606092g","","","0.71073","MoKα","","0.2711","0.1099","","","0.1725","0.1915","","","","","","1.067","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101290","15.533","0.0003","11.834","0.0002","16.174","0.0003","90","","105.385","0.001","90","","2866.52","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N2 P S -","- C15 H15 N2 P S -","- C120 H120 N16 P8 S8 -","8","2","","Pierre Braunstein; Margraf, Gunter; Pattacini, Roberto; Messaoudi, Abdelatif","Intra- and inter-molecular phosphoryl migration in phosphinothiazolines, precursors to polynuclear complexes and bimetallic coordination polymers.","Chemical Communications","2006","","29","","","10.1039/b603495k","","x-ray","0.71073","MoKα","","0.0834","0.0453","","","0.1078","0.1245","","","","","","1.044","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101291","9.142","0.0002","10.076","0.0002","14.433","0.0004","92.14","0.0009","105.87","0.0009","107.99","0.0012","1205.47","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 P2 S -","- C27 H24 N2 P2 S -","- C54 H48 N4 P4 S2 -","2","1","","Pierre Braunstein; Margraf, Gunter; Pattacini, Roberto; Messaoudi, Abdelatif","Intra- and inter-molecular phosphoryl migration in phosphinothiazolines, precursors to polynuclear complexes and bimetallic coordination polymers.","Chemical Communications","2006","","29","","","10.1039/b603495k","","x-ray","0.7107","MoKα","","0.0792","0.048","","","0.1229","0.1401","","","","","","1.031","","","","has coordinates","208161","2020-10-21","18:00:00",""
"7101292","9.61","0.001","13.281","0.002","13.769","0.002","98.04","0.05","101.87","0.05","104.52","0.05","1630.5","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H25 Au2 Cl5 N2 P2 S -","- C28 H25 Au2 Cl5 N2 P2 S -","- C56 H50 Au4 Cl10 N4 P4 S2 -","2","1","","Pierre Braunstein; Margraf, Gunter; Pattacini, Roberto; Messaoudi, Abdelatif","Intra- and inter-molecular phosphoryl migration in phosphinothiazolines, precursors to polynuclear complexes and bimetallic coordination polymers.","Chemical Communications","2006","","29","","","10.1039/b603495k","","x-ray","0.7107","MoKα","","0.0621","0.0408","","","0.1074","0.1244","","","","","","1.063","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101293","9.185","0.003","19.488","0.006","25.892","0.009","90","","99.74","0.02","90","","4568","3","173","2","173","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Ag Cl6 F3 N4 O3 P2 Pt S3 -","- C34 H34 Ag Cl6 F3 N4 O3 P2 Pt S3 -","- C136 H136 Ag4 Cl24 F12 N16 O12 P8 Pt4 S12 -","4","1","","Pierre Braunstein; Margraf, Gunter; Pattacini, Roberto; Messaoudi, Abdelatif","Intra- and inter-molecular phosphoryl migration in phosphinothiazolines, precursors to polynuclear complexes and bimetallic coordination polymers.","Chemical Communications","2006","","29","","","10.1039/b603495k","","x-ray","0.71073","MoKα","","0.072","0.0503","","","0.1198","0.1295","","","","","","1.048","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101294","8.353","0.001","13.073","0.001","24.181","0.001","90","","90","","90","","2640.5","0.4","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 F3 N2 O5 S2 -","- C23 H35 F3 N2 O5 S2 -","- C92 H140 F12 N8 O20 S8 -","4","1","","Dieter Hoppe; Roland Frohlich; Ravindra Sonawane","Highly Diastereoselective Formation and Reactions of a Non-Mesomerically Stabilized, Lithiated alpha-Thiocarbanion","Chemical Communications","2006","","29","","","10.1039/b604029b","","","0.71073","MoKα","","0.0536","0.0411","","","0.0941","0.0995","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101295","11.6396","0.0012","16.9812","0.0017","18.4297","0.0018","87.348","0.004","73.266","0.004","84.678","0.004","3472.7","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H62 F12 N8 P2 Ru -","- C74 H62 F12 N8 P2 Ru -","- C148 H124 F24 N16 P4 Ru2 -","2","1","","Sylvia M. Draper; Christopher M. Fitchett; Daniel J. Gregg","Intermolecular Interactions of Extended Aromatic Ligands: The Synchrotron Molecular Structures of [Ru(bpy)2(N-HSB)].2PF6 and [Ru(bpy)2(N-1/2HSB)].2PF6","Chemical Communications","2006","","29","","","10.1039/b604131k","","x-ray","0.6887","Synchrotron","","0.1426","0.0881","","","0.2398","0.2759","","","","","","1.038","","","","has coordinates","208161","2020-10-21","18:00:00",""
"7101296","13.277","0.002","17.707","0.002","18.273","0.002","68.345","0.002","89.786","0.002","78.094","0.002","3894.4","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H68 F12 N8 P2 Ru -","- C74 H68 F12 N8 P2 Ru -","- C148 H136 F24 N16 P4 Ru2 -","2","1","","Sylvia M. Draper; Christopher M. Fitchett; Daniel J. Gregg","Intermolecular Interactions of Extended Aromatic Ligands: The Synchrotron Molecular Structures of [Ru(bpy)2(N-HSB)].2PF6 and [Ru(bpy)2(N-1/2HSB)].2PF6","Chemical Communications","2006","","29","","","10.1039/b604131k","","x-ray","0.6778","Synchrotron","","0.2485","0.1962","","","0.4741","0.5001","","","","","","1.775","","","","has coordinates","208161","2020-10-21","18:00:00",""
"7101297","54.607","0.0017","54.607","0.0017","60.034","0.003","90","","90","","120","","155033","10","188","2","188","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C40 H484 Fe30 Mo78 Na4 O523 -","- C22.5 Fe30 Mo78.102 O472.935 -","- C270 Fe360 Mo937.224 O5675.21 -","12","0.666667","","Müller, Achim; Todea, Ana Maria; Bögge, Hartmut; van Slageren, Joris; Dressel, Martin; Stammler, Anja; Rusu, Mariana","Formation of a ""less stable"" polyanion directed and protected by electrophilic internal surface functionalities of a capsule in growth: [{Mo6O19}2– {MoVI72FeIII30O252(ac)20(H2O)92}]4–","Chemical Communications (Cambridge, United Kingdom)","2006","","29","3066","3068","10.1039/b604977j","","","0.71073","MoKα","","0.1851","0.0975","","","0.2387","0.3491","","","","","","1.174","","","","has coordinates","287998","2023-12-04","15:40:33",""
"7101298","10.531","0.001","21.44","0.001","22.895","0.001","90","","90","","90","","5169.3","0.6","293","2","293","2","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C26 H54 Cu7 K N20 O6 S8 -","- C26 H54 Cu7 K N20 O6 S8 -","- C104 H216 Cu28 K4 N80 O24 S32 -","4","1","","El Fallah, M. Salah; Badyine, Fatima; Vicente, Ramon; Escuer, Albert; Solans, Xavier; Font-Bardia, Mercè","A new 2D network built from potassium sandwiches {K[CuII3(bdap)3]2} and {(μ1,3-SCN)3CuI(NCS)} anions: structure and magnetic behaviour","Chemical Communications (Cambridge, United Kingdom)","2006","","29","3113","3115","10.1039/b605078f","","","0.71073","MoKα","","0.0589","0.048","","","0.0865","0.0907","","","","","","1.22","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101299","23.8747","0.0006","23.8747","0.0006","23.8747","0.0006","90","","90","","90","","13608.6","0.6","173","2","173","2","","","","","","","","9","I 21 3","I 2b 2c 3","199","","","","- C98 H62 Ag3 B3 Br6 Cl6 F12 N6 O15 -","- C98 H54 Ag3 B3 Br6 Cl6.02 F12 N6 O15 -","- C392 H216 Ag12 B12 Br24 Cl24.08 F48 N24 O60 -","4","0.166667","","Mir Wais Hosseini; Philippe Grosshans; Abdelaziz Jouaiti; Nathalie Kyritsakas; Jean-Marc Planeix","Orthogonal packing of enantiomerically pure helical silver coordination networks","Chemical Communications","2006","","29","","","10.1039/b605166a","","","0.71073","MoKα","","0.1585","0.1012","","","0.2579","0.2628","","","","","","1.095","","","","has coordinates","203911","2020-10-21","18:00:00",""
"7101300","13.326","0.002","16.495","0.003","21.114","0.004","90","","108.394","0.002","90","","4404.2","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","COMPLEX 3","","","- C55 H45 Al N4 O4 -","- C55 H45 Al N4 O4 -","- C220 H180 Al4 N16 O16 -","4","1","","J.K.M.Sanders; G.J.E.Davidson; L.H.Tong","Aluminium(III) porphyrins as supramolecular building blocks","Chemical Communications","2006","","29","","","10.1039/b605435h","","","0.6814","synchrotron","","0.0946","0.0501","","","0.1116","0.1342","","","","","","1.026","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101301","17.0248","0.0014","18.7182","0.0016","19.0603","0.0016","104.949","0.001","105.955","0.001","94.339","0.001","5571.7","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","COMPLEX 6","","","- C242 H190 Al4 Cl4 N20 O16 S8 -","- C242 H190 Al4 Cl4 N20 O16 S8 -","- C242 H190 Al4 Cl4 N20 O16 S8 -","1","0.5","","J.K.M.Sanders; G.J.E.Davidson; L.H.Tong","Aluminium(III) porphyrins as supramolecular building blocks","Chemical Communications","2006","","29","","","10.1039/b605435h","","","0.6727","Synchrotron","","0.1889","0.1644","","","0.4886","0.5187","","","","","","1.994","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101302","11.878","0.0001","10.4528","0.0001","42.0274","0.0004","90","","94.962","0.001","90","","5198.5","0.1","220","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","COMPLEX 3*4-tert-butylpyridine","","","- C60.5 H46.5 Al Cl1.5 N5 O2 -","- C60.5 H46.5 Al Cl1.5 N5 O2 -","- C242 H186 Al4 Cl6 N20 O8 -","4","1","","J.K.M.Sanders; G.J.E.Davidson; L.H.Tong","Aluminium(III) porphyrins as supramolecular building blocks","Chemical Communications","2006","","29","","","10.1039/b605435h","","x-ray","0.71069","MoKα","","","0.1136","","","","0.3935","","","","","","1.859","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101303","14.7689","0.0004","18.0119","0.0008","13.5174","0.0009","90","","103.6","0.002","90","","3495","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H98 Cl Cu4 N11 O22 -","- C60 H68 Cl Cu4 N11 O22 -","- C120 H136 Cl2 Cu8 N22 O44 -","2","0.25","","D.Ray; G.Aromi; P.K.Nanda","Tetranuclear Cu(II) complex supported by a central μ4-1,1,3,3 azide bridge","Chemical Communications","2006","","30","","","10.1039/b604502b","","","0.71073","MoKα","","0.1459","0.081","","","0.1915","0.2343","","","","","","0.997","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101304","17.7971","0.0014","17.7971","0.0014","22.961","0.004","90","","90","","120","","6298.2","1.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H81 Cd12 O76.5 -","- C48 H60 Cd12 O76.52 -","- C144 H180 Cd36 O229.56 -","3","0.166667","","Jing Wang; Yue-Hua Zhang; Ming-Liang Tong","Two new 3D metal-organic frameworks of nanoscale cages constructed by Cd(II) and conformation-flexible cyclohexanehexacarboxylate","Chemical Communications","2006","","30","","","10.1039/b604584g","","","0.71073","MoKα","","0.0615","0.0469","","","0.0984","0.1049","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101305","26.01","0.001","26.01","0.001","20.8538","0.0016","90","","90","","120","","12217.9","1.1","123","2","123","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C48 H78 Cd6 Na12 O75 -","- C48 H24 Cd6 Na12 O75 -","- C288 H144 Cd36 Na72 O450 -","6","0.166667","","Jing Wang; Yue-Hua Zhang; Ming-Liang Tong","Two new 3D metal-organic frameworks of nanoscale cages constructed by Cd(II) and conformation-flexible cyclohexanehexacarboxylate","Chemical Communications","2006","","30","","","10.1039/b604584g","","","0.71073","MoKα","","0.0466","0.0434","","","0.1171","0.1194","","","","","","1.053","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101306","15.44","0.002","15.973","0.004","16.656","0.003","62.152","0.013","64.756","0.01","89.518","0.013","3190.4","1","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H112 Cl8 Cu6 P10 Se6 -","- C124 H112 Cl8 Cu6 P10 Se6 -","- C124 H112 Cl8 Cu6 P10 Se6 -","1","0.5","","Robert Davies; M. Giovanna Martinelli; Andrew J. P. White","Discrete copper(I) clusters with Cu6P6Se6 and Cu6P4Se6 cores","Chemical Communications","2006","","30","","","10.1039/b605191j","","","0.71073","MoKα","","0.1046","0.0535","","","0.0968","0.1095","","","","","","0.961","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101307","16.776","0.002","14.959","0.003","20.173","0.006","90","","99.657","0.019","90","","4990.6","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H93 Cu6 P9 Se6 -","- C108 H93 Cu6 P9 Se6 -","- C216 H186 Cu12 P18 Se12 -","2","0.5","","Robert Davies; M. Giovanna Martinelli; Andrew J. P. White","Discrete copper(I) clusters with Cu6P6Se6 and Cu6P4Se6 cores","Chemical Communications","2006","","30","","","10.1039/b605191j","","","1.54178","CuKα","","0.1108","0.0612","","","0.1463","0.1679","","","","","","1.004","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101308","13.1362","0.0012","22.2016","0.0014","17.6252","0.0014","90","","106.85","0.007","90","","4919.6","0.7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H86 Cu6 P8 Se8 -","- C98 H86 Cu6 P8 Se8 -","- C196 H172 Cu12 P16 Se16 -","2","0.5","","Robert Davies; M. Giovanna Martinelli; Andrew J. P. White","Discrete copper(I) clusters with Cu6P6Se6 and Cu6P4Se6 cores","Chemical Communications","2006","","30","","","10.1039/b605191j","","","1.54178","CuKα","","0.0837","0.0604","","","0.135","0.1457","","","","","","1.058","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101309","10.3131","0.0004","10.3131","0.0004","14.495","0.0013","90","","90","","90","","1541.69","0.16","293","2","293","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C9 H3 Dy N0 O7 -","- C9 H3 Dy O7 -","- C36 H12 Dy4 O28 -","4","0.5","","Guo, Xiaodan; Zhu, Guangshan; Li, Zhongyue; Sun, Fuxing; Yang, Zhenghong; Qiu, Shilun","A lanthanide metal–organic framework with high thermal stability and available Lewis-acid metal sites","Chemical Communications (Cambridge, United Kingdom)","2006","","30","3172","3174","10.1039/b605428e","","","0.71073","MoKα","","0.055","0.0468","","","0.0902","0.0937","","","","","","1.024","","","","has coordinates","287999","2023-12-04","15:44:06",""
"7101310","12.8453","0.0004","19.1818","0.0007","16.0316","0.0005","90","","100.794","0.002","90","","3880.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 I2 K N7 O2 U -","- C35 H35 I2 K N7 O2 U -","- C140 H140 I8 K4 N28 O8 U4 -","4","1","","J.-C.Berthet; G.Siffredi; P.Thuery; M.Ephritikhine","Convenient access to stable pentavalent uranyl complexes.","Chemical Communications","2006","","30","","","10.1039/b605710a","","","0.71073","MoKα","","0.03","0.0206","","","0.0388","0.0405","","","","","","1.014","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101311","10.3767","0.0002","16.998","0.0004","17.8197","0.0004","90","","90","","90","","3143.09","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H61 Al N3 Na -","- C27 H61 Al N3 Na -","- C108 H244 Al4 N12 Na4 -","4","1","","R. E. Mulvey; Joaquin Garcia-Alvarez; D. Graham; Alan Kennedy; Susan Weatherstone","New reactivity and structural insights of alkali-metal-mediated alumination in directed ortho-alumination of a tertiary aromatic amide","Chemical Communications","2006","","30","","","10.1039/b606080c","","","0.71073","MoKα","","0.0674","0.0509","","","0.1115","0.1212","","","","","","1.059","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101312","9.4085","0.0004","9.7578","0.0004","10.5611","0.0004","102.489","0.002","102.94","0.002","91.186","0.002","920.16","0.06","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H64 Al N4 Na -","- C32 H64 Al N4 Na -","- C32 H64 Al N4 Na -","1","1","","R. E. Mulvey; Joaquin Garcia-Alvarez; D. Graham; Alan Kennedy; Susan Weatherstone","New reactivity and structural insights of alkali-metal-mediated alumination in directed ortho-alumination of a tertiary aromatic amide","Chemical Communications","2006","","30","","","10.1039/b606080c","","","0.71073","MoKα","","0.0821","0.0537","","","0.1024","0.1163","","","","","","1.044","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101313","11.3307","0.0003","20.577","0.0005","18.5945","0.0005","90","","100.539","0.0014","90","","4262.2","0.19","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H70 Al Li N4 O2 -","- C40 H70 Al Li N4 O2 -","- C160 H280 Al4 Li4 N16 O8 -","4","1","","R. E. Mulvey; Joaquin Garcia-Alvarez; D. Graham; Alan Kennedy; Susan Weatherstone","New reactivity and structural insights of alkali-metal-mediated alumination in directed ortho-alumination of a tertiary aromatic amide","Chemical Communications","2006","","30","","","10.1039/b606080c","","","0.71073","MoKα","","0.0867","0.0477","","","0.094","0.1101","","","","","","1.025","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101314","10.0963","0.0012","13.7861","0.0016","19.923","0.002","90","","90","","90","","2773.1","0.6","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 Cl N2 O2 Rh S -","- C29 H36 Cl N2 O2 Rh S -","- C116 H144 Cl4 N8 O8 Rh4 S4 -","4","1","","M. Wills; Guy Clarkson; Daljit S. Matharu; David J. Morris","An outstanding catalyst for asymmetric transfer hydrogenation in aqueous solution and formic acid/triethylamine","Chemical Communications","2006","","30","","","10.1039/b606288a","","","0.71073","MoKα","","0.0309","0.0294","","","0.0712","0.0718","","","","","","1.141","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101315","6.5872","0.0011","8.3434","0.0014","9.0693","0.0015","90","","97.565","0.008","90","","494.11","0.14","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 Cl F N -","- C3 H7 Cl F N -","- C12 H28 Cl4 F4 N4 -","4","1","","D. O'Hagan; Natalie E. J. Gooseman; A. Slawin; Andrew M. Teale; David Tozer; Robert J. Young","The intramolecular beta-fluorine***ammonium interaction in 4- and 8-membered rings","Chemical Communications","2006","","30","","","10.1039/b606334a","","","0.71073","MoKα","","0.0219","0.0199","","","0.0502","0.0517","","","","","","0.902","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101316","7.0901","0.0016","12.25","0.003","12.581","0.003","90","","106.266","0.006","90","","1049","0.4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H15 Br2 F N2 -","- C6 H15 Br2 F N2 -","- C24 H60 Br8 F4 N8 -","4","1","","D. O'Hagan; Natalie E. J. Gooseman; A. Slawin; Andrew M. Teale; David Tozer; Robert J. Young","The intramolecular beta-fluorine***ammonium interaction in 4- and 8-membered rings","Chemical Communications","2006","","30","","","10.1039/b606334a","","","0.71073","MoKα","","0.0293","0.0248","","","0.0568","0.0589","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101317","15.769","0.003","15.769","0.003","7.091","0.0011","90","","90","","120","","1527","0.4","150","2","150","2","","","","","","","","4","P 63","P 6c","173","","","","- C27 H39 N3 O9 -","- C27 H39 N3 O9 -","- C54 H78 N6 O18 -","2","0.333333","","Arindam Banerjee; Partha Pratim Bose; Apurba Das; M.Drew","Formation of triple helical nanofibers using self-assembling chiral pseudopeptides and reversal of the nanostructure's handedness using mirror image building blocks","Chemical Communications","2006","","30","","","10.1039/b606371c","","","0.71073","MoKα","","0.1528","0.1011","","","0.2352","0.2557","","","","","","1.034","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7101318","12.5899","0.0016","13.1834","0.0017","20.085","0.002","90","","90","","90","","3333.7","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H45 N7 O3 -","- C33 H45 N7 O3 -","- C132 H180 N28 O12 -","4","1","","Jonathan Steed; Kirsty Anderson; Nigel Clarke; Judith A. Elder; Joseph T. Lenthall; Claire E. Stanley","Anion Binding Inhibition of the Formation of a Helical Organogel","Chemical Communications","2006","","30","","","10.1039/b606373j","","","0.71073","MoKα","","0.0366","0.0299","","","0.0602","0.0625","","","","","","1.037","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101319","7.4856","0.0004","9.7383","0.0005","11.52","0.0006","95.766","0.002","96.224","0.002","92.306","0.003","829.49","0.08","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","6","P -1","-P 1","2","(2R*,3S*)-2-(4-bromophenyl)-1-tosylpyrrolidin-3-ol","","","- C17 H18 Br N O3 S -","- C17 H18 Br N O3 S -","- C34 H36 Br2 N2 O6 S2 -","2","1","","David Hodgson; Matthew J. Fleming; Changxue Lin; Steven J. Stanway; Zhaoqing Xu.","3-Hydroxypyrrolidines from Epoxysulfonamides and Dimethylsulfoxonium Methylide","Chemical Communications","2006","","30","","","10.1039/b606583j","","","0.71073","MoKα","","0.0531","0.0423","","0.0597","0.0507","0.0507","","","","","","1.0388","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101320","13.112","0.0007","16.6088","0.0009","18.4861","0.001","90","","108.52","0.001","90","","3817.3","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C37H46N6O12","C37H46N6O12","","- C37 H46 N6 O12 -","- C37 H46 N6 O12 -","- C148 H184 N24 O48 -","4","1","","Paul V. Santacroce; Oluyomi A. Okunola; Peter Y. Zavalij; Jeffery T. Davis","A transmembrane anion transporter selective for nitrate over chloride","Chemical Communications","2006","","30","","","10.1039/b607221f","","","0.71073","MoKα","","0.0935","0.0434","","","0.0764","0.0847","","","","","","1","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101321","9.1993","0.0018","17.748","0.004","16.947","0.003","90","","99.54","0.03","90","","2728.7","0.9","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","X-Seed","","","- C18 H24 La N15 O6.5 -","- C18 H24 La N15 O6.5 -","- C72 H96 La4 N60 O26 -","4","1","","P.Andrews; P.Junk; M.Massi; M.Silberstein","Gelation of La(III) cations promoted by 5-(2-pyridyl)tetrazolate and water","Chemical Communications","2006","","31","","","10.1039/b605006a","","","0.71073","MoKα","","0.0503","0.0317","","","0.0573","0.0623","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101322","7.8806","0.0008","11.9639","0.0012","12.687","0.0012","71.955","0.002","83.598","0.002","89.641","0.002","1129.73","0.19","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 F4 I N O -","- C23 H27 F4 I N O -","- C46 H54 F8 I2 N2 O2 -","2","1","","Duncan Bruce; Rosalba Liantonio; Pierangelo Metrangolo; Carsten Prasang; Giuseppe Resnati; Adrian C. Whitwood","Fluorinated liquid crystals formed by halogen bonding","Chemical Communications","2006","","31","","","10.1039/b605101d","","","0.71073","MoKα","","0.0338","0.03","","","0.0757","0.0776","","","","","","1.095","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101323","8.3081","0.0007","9.1647","0.0007","9.1839","0.0007","62.781","0.001","79.029","0.001","87.088","0.001","609.95","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Fe2 N4 O15 P4 -","- C12 H24 Fe2 N4 O15 P4 -","- C12 H24 Fe2 N4 O15 P4 -","1","0.5","","Groves, John A.; Miller, Stuart R.; Warrender, Stewart J.; Mellot-Draznieks, Caroline; Lightfoot, Philip; Wright, Paul A.","The first route to large pore metal phosphonates","Chemical Communications (Cambridge, United Kingdom)","2006","","31","3305","3307","10.1039/b605400e","","","0.69999","synchrotronradiation","","0.0583","0.0509","","","0.123","0.1275","","","","","","1.054","","","","has coordinates","288000","2023-12-04","15:48:36",""
"7101324","19.143","0.0016","19.143","0.0016","9.27","0.0015","90","","90","","120","","2941.9","0.6","150","2","150","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C27 H48 Co8 N7 O30 P6 -","- C27 H48 Co8 N6.48 O30 P6 -","- C54 H96 Co16 N12.96 O60 P12 -","2","0.166667","","Groves, John A.; Miller, Stuart R.; Warrender, Stewart J.; Mellot-Draznieks, Caroline; Lightfoot, Philip; Wright, Paul A.","The first route to large pore metal phosphonates","Chemical Communications (Cambridge, United Kingdom)","2006","","31","3305","3307","10.1039/b605400e","","","0.6713","synchrotron","","0.0752","0.0531","","","0.1437","0.1565","","","","","","1.05","","","","has coordinates","288000","2023-12-04","15:48:37",""
"7101325","27.9486","0.0004","27.9486","","6.23018","0.00014","90","","90","","120","","4214.6","0.1","","","293","","","","","","","","","5","R -3 :H","-R 3","148","JAGNipip","","","- C3 N Ni O6.7 P -","- C3 N Ni O6.7 P -","- C54 N18 Ni18 O120.6 P18 -","18","1","","Groves, John A.; Miller, Stuart R.; Warrender, Stewart J.; Mellot-Draznieks, Caroline; Lightfoot, Philip; Wright, Paul A.","The first route to large pore metal phosphonates","Chemical Communications (Cambridge, United Kingdom)","2006","","31","3305","3307","10.1039/b605400e","powder diffraction","x-ray","1.54056","CuKalpha","","","","","","","","0.11501","","2.6","","","","","","","has coordinates","288000","2023-12-04","15:48:37",""
"7101326","26.9497","0.0005","17.9499","0.0005","23.6303","0.0005","90","","121.738","0.0017","90","","9721.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Co7-ClO4","","","- C75 H67 Cl2 Co7 N33 O19 -","- C74.8 H54 Cl2 Co7 N33.6 O18.92 -","- C299.2 H216 Cl8 Co28 N134.4 O75.68 -","4","0.5","","Song Gao.; Feng Pan.; Zhe-Ming Wang.; Wolfgang Wernsdorfer; Yuan-Zhu Zhang.","An azido-bridged disc-like heptanuclear cobalt(II) cluster: towards single-molecule magnet","Chemical Communications","2006","","31","","","10.1039/b605459e","","","0.71073","MoKα","","0.1132","0.0539","","","0.1463","0.1713","","","","","","1.025","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101327","18.418","0.001","17.99","0.001","18.694","0.001","90","","95.799","0.001","90","","6162.4","0.6","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H56 N3 Sc Si3 -","- C22 H56 N3 Sc Si3 -","- C176 H448 N24 Sc8 Si24 -","8","2","","Bart Hessen; Sergio Bambirra; Shaozhong Ge; Auke Meetsma","The 6-amino-6-methyl-1,4-diazepine group as ancillary ligand framework for neutral and cationic scandium and yttrium alkyls","Chemical Communications","2006","","31","","","10.1039/b606384e","","","0.71073","MoKα","","0.1162","0.0544","","","0.0908","0.1084","","","","","","0.964","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101328","10.653","0.001","17.454","0.002","21.73","0.002","80.864","0.002","87.771","0.002","85.449","0.002","3975.2","0.7","100","1","100","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C131 H264 N12 O4 Si12 Y4 -","- C65.5 H132 N6 O2 Si6 Y2 -","- C131 H264 N12 O4 Si12 Y4 -","2","1","","Bart Hessen; Sergio Bambirra; Shaozhong Ge; Auke Meetsma","The 6-amino-6-methyl-1,4-diazepine group as ancillary ligand framework for neutral and cationic scandium and yttrium alkyls","Chemical Communications","2006","","31","","","10.1039/b606384e","","","0.71073","MoKα","","0.0956","0.0534","","","0.1013","0.1154","","","","","","0.996","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101329","14.9142","0.0007","13.6308","0.0007","18.7876","0.0009","90","","109.995","0.001","90","","3589.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 Co N11 O3 -","- C43 H32 Co N11 O3 -","- C172 H128 Co4 N44 O12 -","4","1","","Robert W. McGaff; Matthew J. Bierman; Ilia Guzei; Heidi M. Kieler; Peter J. Liska","Chiral iron(III) and cobalt(III) complexes containing a new pentadentate ""helmet"" phthalocyaninato ligand","Chemical Communications","2006","","31","","","10.1039/b606537f","","","0.71073","Mo-Kα","","0.0465","0.0384","","","0.1019","0.1077","","","","","","1.028","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101330","14.907","0.0009","13.6717","0.0008","18.8658","0.0012","90","","109.855","0.001","90","","3616.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H32.38 Fe N11 O3.19 -","- C43 H32.38 Fe N11 O3.19 -","- C172 H129.52 Fe4 N44 O12.76 -","4","1","","Robert W. McGaff; Matthew J. Bierman; Ilia Guzei; Heidi M. Kieler; Peter J. Liska","Chiral iron(III) and cobalt(III) complexes containing a new pentadentate ""helmet"" phthalocyaninato ligand","Chemical Communications","2006","","31","","","10.1039/b606537f","","","0.71073","Mo-Kα","","0.0366","0.0311","","","0.0804","0.0847","","","","","","1.024","","","","has coordinates,has disorder","277870","2022-09-15","11:09:06",""
"7101331","22.597","0.002","21.775","0.002","19.6275","0.0018","90","","107.065","0.001","90","","9232.4","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H37 Fe N12 O4 -","- C45 H25 Fe N12 O -","- C360 H200 Fe8 N96 O8 -","8","1","","Robert W. McGaff; Matthew J. Bierman; Ilia Guzei; Heidi M. Kieler; Peter J. Liska","Chiral iron(III) and cobalt(III) complexes containing a new pentadentate ""helmet"" phthalocyaninato ligand","Chemical Communications","2006","","31","","","10.1039/b606537f","","","0.71073","Mo-Kα","","0.0422","0.0355","","","0.0966","0.0996","","","","","","1.088","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101332","12.1275","0.0008","13.7705","0.001","13.8307","0.001","104.984","0.002","104.898","0.002","105.394","0.002","2015.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H122 O8 V2 -","- C86 H122 O8 V2 -","- C86 H122 O8 V2 -","1","0.5","","Carl Redshaw; Sophie H. Dale; Mark R.J. Elsegood; Damien M. Hamden; Sadahiko Matsuura; Shigekazu Matsui; Michael Rowan","Vanadyl C and N-capped tris(phenolate) complexes: influence of pro-catalyst geometry on catalytic activity.","Chemical Communications","2006","","31","","","10.1039/b606897a","","","0.71073","MoKα","","0.0955","0.0567","","","0.1243","0.1467","","","","","","1.056","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101333","15.4639","0.0008","30.6728","0.0017","21.4928","0.0009","90","","107.107","0.003","90","","9743.5","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H144 N2 O7 V -","- C104 H143.615 N2 O7 V -","- C416 H574.46 N8 O28 V4 -","4","1","","Carl Redshaw; Sophie H. Dale; Mark R.J. Elsegood; Damien M. Hamden; Sadahiko Matsuura; Shigekazu Matsui; Michael Rowan","Vanadyl C and N-capped tris(phenolate) complexes: influence of pro-catalyst geometry on catalytic activity.","Chemical Communications","2006","","31","","","10.1039/b606897a","","","0.71073","MoKα","","0.1983","0.1009","","","0.1511","0.1859","","","","","","1.036","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101334","9.6923","0.0018","11.754","0.002","16.214","0.003","90","","107.213","0.004","90","","1764.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N2 O4 V -","- C20 H15 N2 O4 V -","- C80 H60 N8 O16 V4 -","4","1","","Carl Redshaw; Sophie H. Dale; Mark R.J. Elsegood; Damien M. Hamden; Sadahiko Matsuura; Shigekazu Matsui; Michael Rowan","Vanadyl C and N-capped tris(phenolate) complexes: influence of pro-catalyst geometry on catalytic activity.","Chemical Communications","2006","","31","","","10.1039/b606897a","","","0.6892","Synchrotron","","0.0544","0.0432","","","0.1104","0.1179","","","","","","1.042","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101335","23.7193","0.0013","9.6174","0.0005","21.0836","0.0012","90","","116.03","0.002","90","","4321.7","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H24 N O5 V -","- C24.5 H24 N O5 V -","- C196 H192 N8 O40 V8 -","8","2","","Carl Redshaw; Sophie H. Dale; Mark R.J. Elsegood; Damien M. Hamden; Sadahiko Matsuura; Shigekazu Matsui; Michael Rowan","Vanadyl C and N-capped tris(phenolate) complexes: influence of pro-catalyst geometry on catalytic activity.","Chemical Communications","2006","","31","","","10.1039/b606897a","","","0.6751","synchrotron","","0.0801","0.0439","","","0.0922","0.1063","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101336","9.2526","0.0007","25.721","0.0018","9.8995","0.0007","90","","90.085","0.002","90","","2355.9","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H24 N3 O4 V -","- C27 H24 N3 O4 V -","- C108 H96 N12 O16 V4 -","4","2","","Carl Redshaw; Sophie H. Dale; Mark R.J. Elsegood; Damien M. Hamden; Sadahiko Matsuura; Shigekazu Matsui; Michael Rowan","Vanadyl C and N-capped tris(phenolate) complexes: influence of pro-catalyst geometry on catalytic activity.","Chemical Communications","2006","","31","","","10.1039/b606897a","","","0.6751","synchrotron","","0.1472","0.1423","","","0.377","0.3814","","","","","","1.057","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101337","14.452","0.002","14.819","0.003","14.999","0.003","116.865","0.002","116.214","0.002","91.421","0.003","2467.8","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H73 N O3 -","- C52 H73 N O3 -","- C104 H146 N2 O6 -","2","1","","Carl Redshaw; Sophie H. Dale; Mark R.J. Elsegood; Damien M. Hamden; Sadahiko Matsuura; Shigekazu Matsui; Michael Rowan","Vanadyl C and N-capped tris(phenolate) complexes: influence of pro-catalyst geometry on catalytic activity.","Chemical Communications","2006","","31","","","10.1039/b606897a","","","0.8464","synchrotron","","0.1094","0.0776","","","0.1975","0.2253","","","","","","1.033","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101338","11.074","0.002","11.835","0.002","15.537","0.003","87.05","0.03","86.8","0.03","63.69","0.03","1821.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 B Br2 O2 -","- C18 H19 B Br2 O2 -","- C72 H76 B4 Br8 O8 -","4","2","","Patrick M. Delaney; Jane E. Moore; Joseph P. A. Harrity","An alkynylboronic ester cycloaddition route to functionalised aromatic boronic esters","Chemical Communications","2006","","31","","","10.1039/b607322k","","","0.71073","MoKα","","0.0517","0.0301","","","0.0532","0.0577","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101339","8.0909","0.0005","21.9946","0.0012","11.5867","0.0007","90","","106.399","0.003","90","","1978","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 B Br O4 -","- C20 H22 B Br O4 -","- C80 H88 B4 Br4 O16 -","4","1","","Patrick M. Delaney; Jane E. Moore; Joseph P. A. Harrity","An alkynylboronic ester cycloaddition route to functionalised aromatic boronic esters","Chemical Communications","2006","","31","","","10.1039/b607322k","","","0.71073","MoKα","","0.0772","0.0627","","","0.149","0.1546","","","","","","1.209","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101340","15.1057","0.0012","15.1722","0.0018","15.3876","0.0008","84.003","0.007","63.988","0.006","63.11","0.008","2807.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H134 N6 O32 Ru6 -","- C110 H102 N6 O32 Ru6 -","- C110 H102 N6 O32 Ru6 -","1","0.5","","T.Brasey; R.Scopelliti; K.Severin","Guest-Induced Formation of an Icosahedral Coordination Cage.","Chemical Communications","2006","","31","","","10.1039/b607512f","","","0.71073","MoKα","","0.0913","0.0598","","","0.1341","0.1523","","","","","","1.134","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101341","34.133","0.003","32.347","0.003","26.317","0.003","90","","93.534","0.008","90","","29001","5","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C222 H300 K8 N12 O106 Ru12 -","- C222 H204 K8 N12 O106 Ru12 -","- C888 H816 K32 N48 O424 Ru48 -","4","0.5","","T.Brasey; R.Scopelliti; K.Severin","Guest-Induced Formation of an Icosahedral Coordination Cage.","Chemical Communications","2006","","31","","","10.1039/b607512f","","","0.71073","MoKα","","0.2265","0.1086","","","0.256","0.3121","","","","","","0.954","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101342","32.6616","0.0008","32.6616","0.0008","73.307","0.003","90","","90","","120","","67725","3","183","2","183","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H984 Mo132 N52 O852 -","- C48 Mo132 O790 -","- C144 Mo396 O2370 -","3","0.166667","","A.Muller; L.Toma; H.Bogge; M.Henry; E.T.K.Haupt; A.Mix; F.L. Sousa","Different types of reactions inside a porous nanocapsule/artificial cell: structuring encapsulates being directed by internal surface deprotonations","Chemical Communications","2006","","32","","","10.1039/b604557j","","","0.71073","MoKα","","0.0641","0.0475","","","0.129","0.1537","","","","","","1.17","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101343","32.6802","0.0008","32.6802","0.0008","73.44","0.002","90","","90","","120","","67926","3","188","2","188","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H946 Mo132 N42 O872 -","- C60 Mo132 O773.5 -","- C180 Mo396 O2320.5 -","3","0.166667","","A.Muller; L.Toma; H.Bogge; M.Henry; E.T.K.Haupt; A.Mix; F.L. Sousa","Different types of reactions inside a porous nanocapsule/artificial cell: structuring encapsulates being directed by internal surface deprotonations","Chemical Communications","2006","","32","","","10.1039/b604557j","","","0.71073","MoKα","","0.0614","0.0453","","","0.1302","0.1502","","","","","","1.075","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101344","13.743","0.003","13.814","0.003","13.969","0.003","105.61","0.03","106.55","0.03","98.27","0.03","2377.5","0.9","301","2","301","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.5 H35 F9 N7 O11.5 Pt2 S3 -","- C39.5 H32 F9 N7 O11.5 Pt2 S3 -","- C79 H64 F18 N14 O23 Pt4 S6 -","2","1","","V.Yam; K.Man-Chung; Nianyong Zhu","Unprecedented formation of an acetamidate-bridged dinuclear platinum(II) terpyridyl complex‒correlation of luminescence properties with the crystal forms and dimerization studies in solution","Chemical Communications","2006","","32","","","10.1039/b606352g","","","0.71073","MoKα","","0.0505","0.039","","","0.1092","0.1236","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101345","34.308","0.007","13.701","0.003","24.105","0.005","90","","129.42","0.03","90","","8753","3","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 F9 N7 O10 Pt2 S3 -","- C35 H26 F9 N7 O10 Pt2 S3 -","- C280 H208 F72 N56 O80 Pt16 S24 -","8","1","","V.Yam; K.Man-Chung; Nianyong Zhu","Unprecedented formation of an acetamidate-bridged dinuclear platinum(II) terpyridyl complex‒correlation of luminescence properties with the crystal forms and dimerization studies in solution","Chemical Communications","2006","","32","","","10.1039/b606352g","","","0.71073","MoKα","","0.1279","0.0736","","","0.2184","0.2408","","","","","","0.93","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101346","8.9492","0.0008","14.8524","0.0013","16.7326","0.0015","105.427","0.007","95.207","0.007","92.097","0.007","2130.8","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.5 H30 Mn4 O13 P2 -","- C42.5 H30 Mn4 O13 P2 -","- C85 H60 Mn8 O26 P4 -","2","1","","Ch. Elschenbroich; Klaus Harms; Jorg Six","On a Novel Coordination Mode of Phosphinine C5H5P","Chemical Communications","2006","","32","","","10.1039/b606739e","","","0.71073","MoKα","","0.0511","0.0332","","","0.0714","0.076","","","","","","0.914","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101347","19.7993","0.0014","27.5435","0.0018","7.6297","0.0008","90","","90","","90","","4160.8","0.6","193","2","193","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C42 H42 Mn2 O10 P2 -","- C42 H42 Mn2 O10 P2 -","- C168 H168 Mn8 O40 P8 -","4","","","Ch. Elschenbroich; Klaus Harms; Jorg Six","On a Novel Coordination Mode of Phosphinine C5H5P","Chemical Communications","2006","","32","","","10.1039/b606739e","","","0.71073","MoKα","","0.0929","0.0447","","","0.0789","0.0913","","","","","","0.846","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101348","9.7358","0.0007","11.0097","0.0008","20.076","0.0013","76.685","0.005","86.477","0.006","64.209","0.005","1883.6","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H30 N2 Zn -","- C20 H30 N2 Zn -","- C80 H120 N8 Zn4 -","4","2","","S.Blechert; Maximillian Dochnahl; Karolin Lohnwitz; Jens-Wolfgang Pissarek; Peter Roesky","A New Homogeneous Zinc Complex with Increased Reactivity for the Intramolecular Hydroamination of Alkenes","Chemical Communications","2006","","32","","","10.1039/b607597e","","","0.71073","MoKα","","0.0461","0.0341","","","0.083","0.0874","","","","","","1.02","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101349","19.121","0.011","9.018","0.005","20.973","0.011","90","","103.516","0.018","90","","3516","3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 B7 Fe O3 P -","- C10 H24 B7 Fe O3 P -","- C80 H192 B56 Fe8 O24 P8 -","8","2","","A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone","Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}","Chemical Communications","2006","","32","","","10.1039/B607768D","","","0.71073","MoKα","","0.0739","0.0444","","","0.0973","0.1114","","","","","","1.022","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101350","7.6548","0.0007","11.6193","0.0012","19.6123","0.0019","93.716","0.005","98.033","0.005","90.739","0.005","1723.2","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H9 B7 O4 Ru -","- C5 H9 B7 O4 Ru -","- C30 H54 B42 O24 Ru6 -","6","3","","A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone","Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}","Chemical Communications","2006","","32","","","10.1039/B607768D","","","0.71073","MoKα","","0.0456","0.0326","","","0.0668","0.073","","","","","","1.03","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101351","14.972","0.002","15.004","0.003","17.41","0.003","90","","95.022","0.006","90","","3895.9","1.1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 B7 Mn N O4 P2 -","- C41 H39 B7 Mn N O4 P2 -","- C164 H156 B28 Mn4 N4 O16 P8 -","4","1","","A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone","Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}","Chemical Communications","2006","","32","","","10.1039/B607768D","","","0.71073","MoKα","","0.0611","0.0426","","","0.1038","0.1143","","","","","","1.036","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101352","15.098","0.003","15.289","0.003","17.297","0.004","90","","98.085","0.009","90","","3953.1","1.4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 B7 N O4 P2 Re -","- C41 H39 B7 N O4 P2 Re -","- C164 H156 B28 N4 O16 P8 Re4 -","4","1","","A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone","Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}","Chemical Communications","2006","","32","","","10.1039/B607768D","","","0.71073","MoKα","","0.0645","0.0389","","","0.0624","0.072","","","","","","1.022","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101353","23.8394","0.0002","13.1178","0.0001","26.0538","0.0002","90","","113.063","0.0003","90","","7496.37","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 1","","","- C79 H66 B F25 P3 Rh -","- C79 H66 B F25 P3 Rh -","- C316 H264 B4 F100 P12 Rh4 -","4","1","","Andrew Weller; Simon Brayshaw; Thomas M. Douglas; Christopher Frost; J.Le Notre","Phosphine-Olefin Ligands: A Facile Dehydrogenative Route to Catalytically Active Rhodium Complexes","Chemical Communications","2006","","32","","","10.1039/b608129k","","","0.71073","MoKα","","0.0683","0.0416","","","0.1024","0.1152","","","","","","1.023","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101354","19.5546","0.0001","16.3567","0.0001","34.5797","0.0002","90","","106.383","0.0003","90","","10611.2","0.11","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 2","","","- C53 H42 B F25 P Rh -","- C53 H42 B F25 P Rh -","- C424 H336 B8 F200 P8 Rh8 -","8","1","","Andrew Weller; Simon Brayshaw; Thomas M. Douglas; Christopher Frost; J.Le Notre","Phosphine-Olefin Ligands: A Facile Dehydrogenative Route to Catalytically Active Rhodium Complexes","Chemical Communications","2006","","32","","","10.1039/b608129k","","","0.71073","MoKα","","0.06","0.0428","","","0.0874","0.0938","","","","","","1.043","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101355","19.5367","0.0001","16.4391","0.0001","34.2824","0.0002","90","","106.532","0.0003","90","","10555.2","0.11","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 3","","","- C53 H43 B F24 P Rh -","- C53 H43 B F24 P Rh -","- C424 H344 B8 F192 P8 Rh8 -","8","1","","Andrew Weller; Simon Brayshaw; Thomas M. Douglas; Christopher Frost; J.Le Notre","Phosphine-Olefin Ligands: A Facile Dehydrogenative Route to Catalytically Active Rhodium Complexes","Chemical Communications","2006","","32","","","10.1039/b608129k","","","0.71073","MoKα","","0.0566","0.0365","","","0.0859","0.0941","","","","","","1.02","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101356","29.527","0.005","6.3638","0.0012","14.506","0.002","90","","92.929","0.013","90","","2722.1","0.8","198.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H30 F3 N2 O5 -","- C28 H30 F3 N2 O5 -","- C112 H120 F12 N8 O20 -","4","1","","Takashi Ishihara; Tsutomu Konno; Taichi Shimada; Masamitsu Yoshioka","First Highly Stereoselective Synthesis of anti-alpha-Trifluoromethyl-beta-amino Acid Derivatives","Chemical Communications","2006","","34","","","10.1039/b603882d","","","1.54178","CuKα","","","0.0398","","","","0.1124","","","","","","1.021","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101357","11.039","0.002","24.551","0.005","18.7","0.007","90","","90","","90","","5068","2","198.1","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H25 F3 N2 O5 -","- C28 H25 F3 N2 O5 -","- C224 H200 F24 N16 O40 -","8","1","","Takashi Ishihara; Tsutomu Konno; Taichi Shimada; Masamitsu Yoshioka","First Highly Stereoselective Synthesis of anti-alpha-Trifluoromethyl-beta-amino Acid Derivatives","Chemical Communications","2006","","34","","","10.1039/b603882d","","","1.54178","CuKα","","","0.042","","","","0.1063","","","","","","1.101","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101358","43.215","0.043","43.215","0.043","43.397","0.043","90","","90","","120","","70187","121","95","2","95","2","","","","","","","","6","R 3 :H","R 3","146","5,11,17,23,29,35-Hexa-tert-butyl-37,39,41- trimethoxycalix(6)arene-38,40,42-tris-oxyacetyl-N-p-bromo-L- phenylalanine potassium salt","5,11,17,23,29,35-Hexa-tert-butyl-37,39,41- trimethoxycalix[6]arene-38,40,42-tris-oxyacetyl- N-p-bromo-L-phenylalanine potassium salt","","- C837 H1092 Br24 K6 N24 O168 -","- C837 H936 Br24 K6 N24 O168 -","- C2511 H2808 Br72 K18 N72 O504 -","3","0.333333","","Tetsuaki Tanaka; Yoichi Hiyama; Toshimasa Ishida; Naoyoshi Maezaki; Hirofumi Ohishi; Koji Tsukamoto","Self-assembled octameric cage constructed by potassium salt of p-tert-butylcalix[6]arene p-bromophenylalanine derivative in solid state","Chemical Communications","2006","","34","","","10.1039/b605555a","","","0.922","synchrotron","","0.1522","0.1437","","","0.3884","0.4079","","","","","","1.249","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101359","43.053","0.043","43.053","0.043","44.166","0.044","90","","90","","120","","70897","123","95","2","95","2","","","","","","","","6","R 3 :H","R 3","146","5,11,17,23,29,35-Hexa-tert-butyl-37,39,41- trimethoxycalix(6)arene-38,40,42-tris-oxyacetyl-N-p-bromo-L- phenylalanine potassium salt","5,11,17,23,29,35-Hexa-tert-butyl-37,39,41- trimethoxycalix[6]arene-38,40,42-tris-oxyacetyl- N-p-bromo-L-phenylalanine potassium salt","","- C849 H1212 Br24 K12 N24 O219 -","- C849 H936 Br24 K12 N24 O219 -","- C2547 H2808 Br72 K36 N72 O657 -","3","0.333333","","Tetsuaki Tanaka; Yoichi Hiyama; Toshimasa Ishida; Naoyoshi Maezaki; Hirofumi Ohishi; Koji Tsukamoto","Self-assembled octameric cage constructed by potassium salt of p-tert-butylcalix[6]arene p-bromophenylalanine derivative in solid state","Chemical Communications","2006","","34","","","10.1039/b605555a","","","0.7","synchrotron","","0.1437","0.1347","","","0.3","0.3053","","","","","","1.343","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101360","4.8026","0.0015","7.891","0.003","35.162","0.011","90","","90","","90","","1332.6","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N -","- C17 H14 Cl N -","- C68 H56 Cl4 N4 -","4","1","","Kazuki Sada; Yuzo Fujiki; S.Shinkai; Nami Tokunaga","Face-Selective Decoration of an Organic Single Crystal toward Photochemical Devices","Chemical Communications","2006","","34","","","10.1039/b606085d","","","0.71073","MoKα","","0.0871","0.0629","","","0.1427","0.1606","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101361","8.5377","0.0006","10.0981","0.0007","22.0819","0.0015","90","","99.673","0.001","90","","1876.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Co2 Na O12 -","- C18 H15 Co2 Na O12 -","- C72 H60 Co8 Na4 O48 -","4","1","","Xiao-Ning Cheng; Wei-Xiong Zhang; Yan-Zhen Zheng; Xiao-Ming Chen","The slow magnetic relaxation observed in a mixed carboxylate/hydroxide-bridged compound [Co2Na(4-cpa)2(mu3-OH)(H2O)] featuring spin frustrated magnetic delta-chains","Chemical Communications","2006","","34","","","10.1039/b606765d","","","0.71073","MoKα","","0.0355","0.0317","","","0.0785","0.081","","","","","","1.054","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101362","10.7108","0.0014","11.2338","0.0013","10.2696","0.0012","96.444","0.01","110.963","0.009","110.197","0.009","1043","0.2","298.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C52 H42 N2 O6 -","2","1","","T.Furuta; Tomohiro Asakawa; Satoshi Fujii; Mie Iinuma; Toshiyuki Kan; Kiyoshi Tanaka","Domino Heck-C-H activation Reaction of Unsymmetrically Substituted [3]Cumulene","Chemical Communications","2006","","34","","","10.1039/b607684j","","","1.54178","CuKα","","","0.1183","","","","0.3072","","","","","","0.789","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101363","7.3748","0.0013","7.5274","0.0013","10.1293","0.0018","82.17","0.003","76.176","0.003","65.881","0.003","497.88","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","06061a","1-(2-methoxyethyl)-2,3-dimethylimidazolium chloride","","- C8 H15 Cl N2 O -","- C8 H15 Cl N2 O -","- C16 H30 Cl2 N4 O2 -","2","1","","Wesley Henderson; De Long,Hugh C.; Douglas Fox; Paul C. Trulove; Young Junior,Victor G.","Alkyl vs. Alkoxy Chains on Ionic Liquid Cations","Chemical Communications","2006","","35","","","10.1039/b606381k","","","0.71073","MoKα","","0.0312","0.0296","","","0.0841","0.0857","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101364","8.3405","0.0013","8.7297","0.0014","10.4831","0.0016","67.755","0.002","69.073","0.002","62.821","0.002","612.52","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","06062a","1-(2-methoxyethyl)-2,3-dimethylimidazolium hexafluorophosphate","","- C8 H15 F6 N2 O P -","- C8 H15 F6 N2 O P -","- C16 H30 F12 N4 O2 P2 -","2","1","","Wesley Henderson; De Long,Hugh C.; Douglas Fox; Paul C. Trulove; Young Junior,Victor G.","Alkyl vs. Alkoxy Chains on Ionic Liquid Cations","Chemical Communications","2006","","35","","","10.1039/b606381k","","","0.71073","MoKα","","0.0418","0.0373","","","0.1057","0.1093","","","","","","1.079","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101365","21.5488","0.0019","13.3481","0.0009","27.62","0.003","90","","92.313","0.007","90","","7938","1.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","C 1 c 1","C -2yc","9","","","","- C74 H96 Cl5 F6 N6 O20 P -","- C74 H96 Cl5 F6 N6 O20 P -","- C296 H384 Cl20 F24 N24 O80 P4 -","4","1","","P. D. Beer; Andrew R. Cowley; Ka-Yuen Ng.","Anion Templated Double Cyclization Assembly of a Chloride Selective [2]Catenane","Chemical Communications","2006","","35","","","10.1039/b606503a","","","1.54248","CuKα","","0.087","0.077","","0.0988","0.0914","0.0914","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101366","14.769","0.003","5.9797","0.0013","7.7564","0.0017","90","","115.824","0.004","90","","616.6","0.2","170","2","170","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Au(NH3)2ClO4","","","- Au Cl H6 N2 O4 -","- Au Cl H6 N2 O4 -","- Au4 Cl4 H24 N8 O16 -","4","0.5","","Philip Coppens; Marc Messerschmidt; Cara L. Nygren; Shao-Liang Zheng.","Ligand-unsupported Au(I) Chains with Short Au(I)...Au(I) Contacts","Chemical Communications","2006","","35","","","10.1039/b606999a","","","0.71073","MoKα","","0.0191","0.018","","","0.0439","0.045","","","","","","1.165","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101367","6.1828","0.0017","10.976","0.004","7.5983","0.0015","90","","90","","90","","515.6","0.3","170","2","170","2","","","","","","","","4","I m m m","-I 2 2","71","Au(NH3)2NO3","","","- Au H6 N3 O3 -","- Au H6 N3 O3 -","- Au4 H24 N12 O12 -","4","0.25","","Philip Coppens; Marc Messerschmidt; Cara L. Nygren; Shao-Liang Zheng.","Ligand-unsupported Au(I) Chains with Short Au(I)...Au(I) Contacts","Chemical Communications","2006","","35","","","10.1039/b606999a","","","0.71073","MoKα","","0.0312","0.0203","","","0.0493","0.0593","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101368","7.6791","0.001","7.9129","0.001","11.569","0.0016","72.624","0.008","73.946","0.007","66.513","0.013","605.27","0.14","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Au(NH3)2ClO4","","","- Au2 Cl2 H12 N4 O8 -","- Au2 Cl2 H12 N4 O8 -","- Au4 Cl4 H24 N8 O16 -","2","1","","Philip Coppens; Marc Messerschmidt; Cara L. Nygren; Shao-Liang Zheng.","Ligand-unsupported Au(I) Chains with Short Au(I)...Au(I) Contacts","Chemical Communications","2006","","35","","","10.1039/b606999a","","","0.71073","MoKα","","0.0448","0.0417","","","0.1194","0.1225","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101369","8.99","0.001","16.034","0.001","25.816","0.001","90","","98.78","0.01","90","","3677.7","0.5","198","2","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 N2 S2 -","- C48 H38 N2 S2 -","- C192 H152 N8 S8 -","4","1","","R.Frohlich; M.Ravikanth; Iti Gupta","Synthesis of Functionalized Thia Analogues of Phlorins and Covalently Linked Phlorin-Porphyrin Dyads","Chemical Communications","2006","","35","","","10.1039/b607013b","","","0.71073","MoKα","","0.0945","0.0637","","","0.1504","0.1693","","","","","","1.021","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101370","6.1303","0.0007","7.4239","0.0009","20.258","0.004","90","","96.75","0.008","90","","915.6","0.2","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 -","- C21 H23 N3 -","- C42 H46 N6 -","2","1","","O-Pil Kwon; Volker Gramlich; Peter Gunter; Mojca Jazbinsek; Seong-Ji Kwon.","Nonlinear optical co-crystal of analogous polyene chromophores with tailored physical properties","Chemical Communications","2006","","35","","","10.1039/b607107d","","","0.71073","MoKα","","0.0659","0.0589","","","0.1716","0.1797","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101371","5.951","0.0012","7.596","0.0015","21.59","0.004","90","","96.82","0.03","90","","969","0.3","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H25 N3 -","- C23 H25 N3 -","- C46 H50 N6 -","2","1","","O-Pil Kwon; Volker Gramlich; Peter Gunter; Mojca Jazbinsek; Seong-Ji Kwon.","Nonlinear optical co-crystal of analogous polyene chromophores with tailored physical properties","Chemical Communications","2006","","35","","","10.1039/b607107d","","","1.54178","CuKα","","0.0582","0.0491","","","0.1343","0.1489","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101372","5.858","0.0012","12.23","0.002","29.332","0.006","90","","93.98","0.03","90","","2096.4","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N3 O -","- C24 H27 N3 O -","- C96 H108 N12 O4 -","4","1","","O-Pil Kwon; Volker Gramlich; Peter Gunter; Mojca Jazbinsek; Seong-Ji Kwon.","Nonlinear optical co-crystal of analogous polyene chromophores with tailored physical properties","Chemical Communications","2006","","35","","","10.1039/b607107d","","","1.54178","CuKα","","0.1727","0.1087","","","0.3035","0.3713","","","","","","1.293","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101373","6.067","0.0012","7.533","0.0015","20.663","0.004","89.87","0.03","96.6","0.03","90.02","0.03","938.1","0.3","295","2","295","2","","","","","","","","3","P 1","P 1","1","","","","- C44 H48 N6 -","- C44 H48 N6 -","- C44 H48 N6 -","1","1","","O-Pil Kwon; Volker Gramlich; Peter Gunter; Mojca Jazbinsek; Seong-Ji Kwon.","Nonlinear optical co-crystal of analogous polyene chromophores with tailored physical properties","Chemical Communications","2006","","35","","","10.1039/b607107d","","","1.54178","CuKα","","0.1659","0.0968","","","0.224","0.2867","","","","","","1.176","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101374","15.5328","0.0002","15.5328","0.0002","15.5904","0.0003","90","","90","","90","","3761.4","0.1","200","","200","","","","","","","","?","6","P 4/m n c","-P 4 2n","128","","","","- C60 H76 Br F18 P7 Sb4 -","- C60 H76 Br F18 P7 Sb4 -","- C120 H152 Br2 F36 P14 Sb8 -","2","0.125","","J.W.Wielandt; N.L.Kilah; A.C.Willis; S.B.Wild","Self-Assembly of Square-Planar Halide Complexes of Phosphine-Stabilized Stibenium Salts","Chemical Communications","2006","","35","","","10.1039/b607136h","","","0.71073","MoKα","","","0.0171","","","","0.02","","","","","","1.1587","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101375","15.4979","0.0002","15.4979","0.0002","15.5355","0.0003","90","","90","","90","","3731.39","0.1","200","","200","","","","","","","","?","6","P 4/m n c","-P 4 2n","128","","","","- C60 H76 Cl F18 P7 Sb4 -","- C60 H76 Cl F15.78 P7 Sb4 -","- C120 H152 Cl2 F31.56 P14 Sb8 -","2","0.125","","J.W.Wielandt; N.L.Kilah; A.C.Willis; S.B.Wild","Self-Assembly of Square-Planar Halide Complexes of Phosphine-Stabilized Stibenium Salts","Chemical Communications","2006","","35","","","10.1039/b607136h","","","0.71073","MoKα","","0.0497","0.0288","","0.0443","0.034","0.034","","","","","","1.1976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101376","27.0406","0.0003","27.0406","0.0003","18.7658","0.0003","90","","90","","90","","13721.4","0.3","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C182 H238 Mn12 N24 O51 -","- C181.52 H216 Mn12 N24 O50.54 -","- C363.04 H432 Mn24 N48 O101.08 -","2","0.25","","Myoung Soo Lah.; Rohith P. John; Kyungjin Lee.; Dohyun Moon.; Jaejoon Park.","Encapsulation of a guest molecule in a strained form: An extended 36-membered dodecanuclear manganese metallamacrocycle that accommodates a cyclooctane in the S4 symmetry conformation","Chemical Communications","2006","","35","","","10.1039/b607675k","","","0.82657","synchrotron","","0.0598","0.0548","","","0.1682","0.1777","","","","","","1.091","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101377","27.189","0.003","27.189","0.003","18.904","0.004","90","","90","","90","","13974","3","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C186 H240 Mn12 N24 O48 -","- C186 H224 Mn12 N24 O48 -","- C372 H448 Mn24 N48 O96 -","2","0.25","","Myoung Soo Lah.; Rohith P. John; Kyungjin Lee.; Dohyun Moon.; Jaejoon Park.","Encapsulation of a guest molecule in a strained form: An extended 36-membered dodecanuclear manganese metallamacrocycle that accommodates a cyclooctane in the S4 symmetry conformation","Chemical Communications","2006","","35","","","10.1039/b607675k","","","0.71073","MoKα","","0.1068","0.0853","","","0.1957","0.2049","","","","","","1.057","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101378","27.073","0.002","27.073","0.002","18.909","0.003","90","","90","","90","","13860","3","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C188 H244 Mn12 N24 O48 -","- C188 H224 Mn12 N24 O48 -","- C376 H448 Mn24 N48 O96 -","2","0.25","","Myoung Soo Lah.; Rohith P. John; Kyungjin Lee.; Dohyun Moon.; Jaejoon Park.","Encapsulation of a guest molecule in a strained form: An extended 36-membered dodecanuclear manganese metallamacrocycle that accommodates a cyclooctane in the S4 symmetry conformation","Chemical Communications","2006","","35","","","10.1039/b607675k","","","0.71073","MoKα","","0.1174","0.0948","","","0.2394","0.2515","","","","","","1.061","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101379","12.4127","0.0003","15.1224","0.0003","29.4433","0.0007","90","","95.743","0.001","90","","5499.1","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 1 2/n 1","-P 2yac","13","","","","- C104 H142 N8 O11 Tl8 -","- C104 H140 N8 O11 Tl8 -","- C208 H280 N16 O22 Tl16 -","2","0.5","","Michael Hill; Peter B. Hitchcock; Ruti Pongtavornpinyo","Aggregation of thallium(I) beta-diketiminates","Chemical Communications","2006","","35","","","10.1039/b607887g","","x-ray","0.71073","MoKα","","0.0764","0.0454","","","0.0825","0.0924","","","","","","1.05","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101380","22.3307","0.0003","16.6863","0.0003","10.231","0.0001","90","","90","","90","","3812.24","0.09","173","2","173","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C42 H51 N4 Tl -","- C42 H51 N4 Tl -","- C168 H204 N16 Tl4 -","4","0.5","","Michael Hill; Peter B. Hitchcock; Ruti Pongtavornpinyo","Aggregation of thallium(I) beta-diketiminates","Chemical Communications","2006","","35","","","10.1039/b607887g","","x-ray","0.71073","MoKα","","0.0421","0.0267","","","0.0512","0.0556","","","","","","1.045","","","","has coordinates","201926","2020-10-21","18:00:00",""
"7101381","10.0548","0.0002","12.3991","0.0003","24.0307","0.0005","92.243","0.002","98.399","0.001","97.355","0.001","2934.29","0.11","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C63 H75 N6 Tl3 -","- C63 H75 N6 Tl3 -","- C126 H150 N12 Tl6 -","2","1","","Michael Hill; Peter B. Hitchcock; Ruti Pongtavornpinyo","Aggregation of thallium(I) beta-diketiminates","Chemical Communications","2006","","35","","","10.1039/b607887g","","x-ray","0.71073","MoKα","","0.0711","0.0451","","","0.097","0.1085","","","","","","1.024","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101382","12.295","0.003","12.971","0.003","22.984","0.005","90","","103.57","0.03","90","","3563.1","1.3","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C66 H108 Cu2 O18 -","- C66 H108 Cu2 O18 -","- C132 H216 Cu4 O36 -","2","0.5","","J. Reedijk; Laurent Benisvy; Patrick Gamez; Ilpo Mutikainen; Manuel Quesada; Urho Turpeinen","The self-assembly between C2-symmetric (methanol)6 or S6-symmetric (ethanol)6 cyclohexamers and paddle-wheel dinuclear copper units leads to unique 1D polymer chains","Chemical Communications","2006","","35","","","10.1039/b608220c","","","0.71073","MoKα","","0.1381","0.0758","","","0.184","0.2199","","","","","","1.003","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101383","11.809","0.004","13.022","0.003","13.094","0.003","93.37","0.03","96.47","0.03","92.58","0.03","1994.6","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H116 Cu2 O18 -","- C72 H116 Cu2 O18 -","- C72 H116 Cu2 O18 -","1","0.5","","J. Reedijk; Laurent Benisvy; Patrick Gamez; Ilpo Mutikainen; Manuel Quesada; Urho Turpeinen","The self-assembly between C2-symmetric (methanol)6 or S6-symmetric (ethanol)6 cyclohexamers and paddle-wheel dinuclear copper units leads to unique 1D polymer chains","Chemical Communications","2006","","35","","","10.1039/b608220c","","","0.71073","MoKα","","0.1719","0.089","","","0.2138","0.2479","","","","","","1.134","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101384","20.607","0.011","12.792","0.007","19.014","0.009","90","","97.721","0.009","90","","4967","4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H64 Cl4 O15 -","- C47 H55.5 Cl4 O15 -","- C188 H222 Cl16 O60 -","4","1","","Scott J. Dalgarno; Nicholas P. Power; Jcohen Antesberger; Robert M. McKinlay; Jerry L. Atwood","Synthesis and structural characterisation of lower rim halogenated pyrogallol[4]arenes: bi-layers and hexameric nano-capsules","Chemical Communications","2006","","36","","","10.1039/b605147b","","","0.71073","MoKα","","0.2562","0.1352","","","0.2988","0.3464","","","","","","1.058","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101385","12.048","0.004","12.069","0.004","18.233","0.006","95.141","0.005","93.711","0.006","106.383","0.005","2522.1","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H64 Cl4 O15 -","- C50 H60 Cl4 O15 -","- C100 H120 Cl8 O30 -","2","1","","Scott J. Dalgarno; Nicholas P. Power; Jcohen Antesberger; Robert M. McKinlay; Jerry L. Atwood","Synthesis and structural characterisation of lower rim halogenated pyrogallol[4]arenes: bi-layers and hexameric nano-capsules","Chemical Communications","2006","","36","","","10.1039/b605147b","","","0.71073","MoKα","","0.0826","0.0595","","","0.1518","0.1669","","","","","","1.018","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101386","36.984","0.003","36.984","0.003","25.824","0.004","90","","90","","120","","30590","6","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62.7 H88.05 Br4 N1.35 O12 -","- C60.88 H73.75 Br3.65 N1.38 O12 -","- C1095.84 H1327.5 Br65.7 N24.84 O216 -","18","1","","Scott J. Dalgarno; Nicholas P. Power; Jcohen Antesberger; Robert M. McKinlay; Jerry L. Atwood","Synthesis and structural characterisation of lower rim halogenated pyrogallol[4]arenes: bi-layers and hexameric nano-capsules","Chemical Communications","2006","","36","","","10.1039/b605147b","","","0.71073","MoKα","","0.2856","0.1743","","","0.4286","0.4637","","","","","","2.606","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101387","12.663","0.004","19.072","0.007","21.232","0.007","102.169","0.006","95.612","0.006","92.779","0.006","4976","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H122 Cl8 N4 O26 -","- C98 H118 Cl8 N4 O26 -","- C196 H236 Cl16 N8 O52 -","2","1","","Scott J. Dalgarno; Nicholas P. Power; Jcohen Antesberger; Robert M. McKinlay; Jerry L. Atwood","Synthesis and structural characterisation of lower rim halogenated pyrogallol[4]arenes: bi-layers and hexameric nano-capsules","Chemical Communications","2006","","36","","","10.1039/b605147b","","","0.71073","MoKα","","0.1118","0.0691","","","0.174","0.2008","","","","","","1.005","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101388","35.456","0.005","35.456","0.005","23.121","0.003","90","","90","","120","","25172","6","113.1","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C49.5 H59 Cl5 Co N2 O2 Si Zr -","- C49.5 H59 Cl5 Co N2 O2 Si Zr -","- C891 H1062 Cl90 Co18 N36 O36 Si18 Zr18 -","18","1","","Kohtaro Osakada; Junpei Kuwabara; Daisuke Takeuchi","Early-Late Heterobimetallic Complexes as Catalyst for Ethylene Polymerization. Cooperative Effect of Two Metal Centers to Afford Highly Branched Polyethylene","Chemical Communications","2006","","36","","","10.1039/b605800k","","","0.7107","MoKα","","","0.1168","","","","0.3644","","","","","","1.419","","","","has coordinates","203912","2020-10-21","18:00:00",""
"7101389","11.39","0.002","13.007","0.003","13.194","0.003","102.47","0.03","104.01","0.03","101.11","0.03","1788.8","0.6","153","1","153","1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H64 Br4 Eu2 N2 O34 Zn4 -","- C52 H64 Br4 Eu2 N2 O34 Zn4 -","- C52 H64 Br4 Eu2 N2 O34 Zn4 -","1","0.5","","Yang, Xiaoping; Hahn, Benjamin P.; Jones, Richard A.; Stevenson, Keith J.; Swinnea, J. Steven; Wu, Qiaoyin","Reversible guest molecule encapsulation in the 3-D framework of a heteropolynuclear luminescent Zn4Eu2 cage complex","Chemical Communications (Cambridge, United Kingdom)","2006","","36","3827","3829","10.1039/b607183j","","","0.71073","MoKα","","0.0659","0.0398","","","0.0894","0.0988","","","","","","1.05","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101390","8.6338","0.0005","9.641","0.0006","9.7985","0.0006","107.453","0.001","103.622","0.001","101.368","0.001","723.96","0.08","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Br2 N2 Pd S -","- C12 H14 Br2 N2 Pd S -","- C24 H28 Br4 N4 Pd2 S2 -","2","1","","Huynh Han Vinh; Geok Kheng Tan; Chun Hui Yeo","Hemilabile Behavior of a Thioether-functionalized N-Heterocyclic Carbene Ligand","Chemical Communications","2006","","36","","","10.1039/B608325K","","","0.71073","MoKα","","0.0322","0.0267","","","0.0683","0.0708","","","","","","1.075","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101391","9.1662","0.0007","15.3599","0.0012","20.4797","0.0015","90","","91.949","0.002","90","","2881.7","0.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Br2 N2 P Pd S -","- C30 H29 Br2 N2 P Pd S -","- C120 H116 Br8 N8 P4 Pd4 S4 -","4","1","","Huynh Han Vinh; Geok Kheng Tan; Chun Hui Yeo","Hemilabile Behavior of a Thioether-functionalized N-Heterocyclic Carbene Ligand","Chemical Communications","2006","","36","","","10.1039/B608325K","","","0.71073","MoKα","","0.0507","0.0366","","","0.088","0.0929","","","","","","1.039","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101392","10.0059","0.0006","11.4835","0.0007","16.1385","0.001","76.031","0.001","78.306","0.002","84.751","0.001","1760.4","0.19","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H42 Br2 N6 O2 Pd S2 -","- C30 H42 Br2 N6 O2 Pd S2 -","- C60 H84 Br4 N12 O4 Pd2 S4 -","2","1","","Huynh Han Vinh; Geok Kheng Tan; Chun Hui Yeo","Hemilabile Behavior of a Thioether-functionalized N-Heterocyclic Carbene Ligand","Chemical Communications","2006","","36","","","10.1039/B608325K","","","0.71073","MoKα","","0.0571","0.0408","","","0.0946","0.1006","","","","","","0.975","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101393","18.58","0.005","18.767","0.005","24.137","0.005","78.6","0.005","81.457","0.005","62.067","0.005","7274","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- Bi3 H180 N14 Na4 Np3 O179 W30.72 -","- Bi3 N14 Na4 Np3 O117 W30.72 -","- Bi6 N28 Na8 Np6 O234 W61.44 -","2","1","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sharrad, Clint A.; Collison, David; Helliwell, Madeleine; Fox, O. Danny; Jones, Chris J.","Oxoneptunium(V) as part of the framework of a polyoxometalate","Chemical Communications (Cambridge, United Kingdom)","2006","","36","3788","3790","10.1039/b608589j","","","0.71073","MoKα","","0.1742","0.0907","","","0.2198","0.2526","","","","","","0.83","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101394","22.3826","0.0013","27.3954","0.0016","30.0087","0.0017","69.305","0.001","80.488","0.001","66.416","0.001","15769.6","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- H278 N29 Na7 Np6 O315 Sb6 W61.06 -","- N29 Na7 Np6 O243.5 Sb6 W61.06 -","- N58 Na14 Np12 O487 Sb12 W122.12 -","2","1","","Copping, Roy; Gaunt, Andrew J.; May, Iain; Sharrad, Clint A.; Collison, David; Helliwell, Madeleine; Fox, O. Danny; Jones, Chris J.","Oxoneptunium(V) as part of the framework of a polyoxometalate","Chemical Communications (Cambridge, United Kingdom)","2006","","36","3788","3790","10.1039/b608589j","","","0.71073","MoKα","","0.1582","0.0739","","","0.1637","0.1816","","","","","","0.925","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101395","11.1009","0.0012","19.529","0.002","14.3917","0.0015","90","","112.539","0.002","90","","2881.6","0.5","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 K N2 O P -","- C29 H32 K N2 O P -","- C116 H128 K4 N8 O4 P4 -","4","1","","Zhaomin Hou.; Masayoshi Nishiura; Wen-Xiong Zhang.","Alkali-Metal-Catalyzed Addition of Primary and Secondary Phosphines to Carbodiimides. A General and Efficient Route to Substituted Phosphaguanidines","Chemical Communications","2006","","36","","","10.1039/b609198a","","","0.71073","MoKα","","0.0689","0.0539","","","0.1626","0.1716","","","","","","1.077","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101396","11.227","0.002","15.692","0.003","12.337","0.003","90","","91.24","0.03","90","","2173","0.8","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Al B Cl4 Fe O2 -","- C17 H20 Al B Cl4 Fe O2 -","- C68 H80 Al4 B4 Cl16 Fe4 O8 -","4","1","","Dragoslav Vidovic; Gregor Reeske; Michael Findlater; Alan H. Cowley","A single-bonded cationic terminal borylene complex","Chemical Communications","2006","","36","","","10.1039/b609475a","","","0.71073","MoKα","","0.0909","0.0435","","","0.0843","0.0979","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7101397","12.8832","0.0008","19.9163","0.0012","20.7647","0.0013","90","","95.842","0.001","90","","5300.3","0.6","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3","","","- C55 H84 B N3 P -","- C55 H84 B N3 P -","- C220 H336 B4 N12 P4 -","4","1","","Eric Rivard; W. Alexander Merrill; James C. Fettinger; Philip P. Power","A donor-stabilized strategy for the preparation ofP=B and As=B double bonds","Chemical Communications","2006","","36","","","10.1039/b609748k","","","0.71073","MoKα","","0.0654","0.0535","","","0.1487","0.1575","","","","","","1.102","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101398","12.7587","0.0013","21.142","0.002","20.465","0.002","90","","96.813","0.002","90","","5481.3","0.9","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5","","","- C58 H91 As B N3 -","- C58 H91 As B N3 -","- C232 H364 As4 B4 N12 -","4","1","","Eric Rivard; W. Alexander Merrill; James C. Fettinger; Philip P. Power","A donor-stabilized strategy for the preparation ofP=B and As=B double bonds","Chemical Communications","2006","","36","","","10.1039/b609748k","","","0.71073","MoKα","","0.1071","0.0755","","","0.1875","0.2007","","","","","","1.089","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101399","10.7538","0.0019","13.005","0.002","23.764","0.004","85.971","0.004","83.331","0.003","86.884","0.003","3289.1","1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","(Cyclo[8]pyrrole)H2SO4","","","- C66 H92 Cl4 N8 O4 S -","- C66 H92 Cl4 N8 O4 S -","- C132 H184 Cl8 N16 O8 S2 -","2","1","","Christophe Bucher; Charles H. Devillers; Jean-Claude Moutet; Jacques Pécaut; Jonathan L. Sessler","Electrochemical synthesis of cyclo[8]pyrrole","Chemical Communications","2006","","37","","","10.1039/b606998c","","","0.71073","MoKα","","0.0846","0.0631","","","0.1594","0.1736","","","","","","1.042","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101400","13.497","0.003","13.665","0.002","13.976","0.003","101.273","0.012","92.929","0.009","116.774","0.011","2228.2","0.8","115","","115","","","","","","","","local laboratory","5","P -1","-P 1","2","","","","- C52 H41 Cl4 N5 O2 -","- C52 H41 Cl4 N5 O2 -","- C104 H82 Cl8 N10 O4 -","2","1","","K.Smith; Lijuan Jiao.; Erhong Hao.; Frank R. Fronczek; M. Graca H. Vincente","Benzoporphyrins via olefin ring-closure metathesis methodology","Chemical Communications","2006","","37","","","10.1039/b607711k","","","0.71073","MoKα","","0.104","0.064","","","0.15","0.171","","","","","","1.024","","","","has coordinates,has disorder","277870","2022-09-15","11:09:06",""
"7101401","14.261","0.001","6.462","0.001","17.607","0.001","90","","90","","90","","1622.6","0.3","198","2","198","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H20 Zr -","- C20 H20 Zr -","- C80 H80 Zr4 -","4","0.5","","Gerhard Erker; Gereon Dierker; Roland Frohlich; Stefan Grimme; Gerald Kehr","Stereo-Electronic Interaction in Complex Molecules: Cyclopropyl Conjugation with Lewis Acidic Centres Across Connecting Carbon Carbon Triple Bonds","Chemical Communications","2006","","37","","","10.1039/b607906g","","","0.71073","MoKα","","0.0339","0.0255","","","0.0702","0.0748","","","","","","1.013","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101402","8.815","0.001","14.432","0.001","12.7","0.001","90","","90","","90","","1615.7","0.2","198","2","198","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H20 Hf -","- C20 H20 Hf -","- C80 H80 Hf4 -","4","1","","Gerhard Erker; Gereon Dierker; Roland Frohlich; Stefan Grimme; Gerald Kehr","Stereo-Electronic Interaction in Complex Molecules: Cyclopropyl Conjugation with Lewis Acidic Centres Across Connecting Carbon Carbon Triple Bonds","Chemical Communications","2006","","37","","","10.1039/b607906g","","","0.71073","MoKα","","0.0235","0.0201","","","0.0476","0.0489","","","","","","1.026","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101403","18.9573","0.0007","18.9573","0.0007","12.564","0.0007","90","","90","","120","","3910.3","0.3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C72 H87 Cl3 N9 O21 Zn2 -","- C72 H87 Cl3 N9 O20.99 Zn2 -","- C144 H174 Cl6 N18 O41.98 Zn4 -","2","0.333333","","D.Coquiere; J.Marrot; O.Reinaud","Encapsulation of a (H~3~O~2~)^-^ Unit in the Aromatic Core of a Calix[6]arene Closed by Two Zn(II) Ions at the Small and Large Rims","Chemical Communications","2006","","37","","","10.1039/b608203c","","","0.71073","MoKα","","0.1342","0.1031","","","0.2737","0.3044","","","","","","1.06","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101404","14.3166","0.0013","13.5819","0.0012","19.9953","0.0018","90","","106.611","0.002","90","","3725.8","0.6","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 3, Ir(k3,k2-TpMs)(MeCN).solv","","","- C38 H41 B Ir N7 -","- C38 H41 B Ir N7 -","- C152 H164 B4 Ir4 N28 -","4","1","","Jorge A. Lopez; Kurt Mereiter; Margarita Paneque; Manuel L. Poveda; Oracio Serrano; Swiatoslaw Trofimenko; Ernesto Carmona","Unusual Fragmentation of CH2Cl2 by an Ir(III) Centre Bonded to a Doubly Metalated TpMs Ligand (TpMs = Hydrotris(3-mesitylpyrazol-1-yl)borate)","Chemical Communications","2006","","37","","","10.1039/b608293a","","","0.71073","MoKα","","0.0488","0.0301","","","0.0752","0.0823","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7101405","22.4579","0.0006","22.4579","0.0006","35.6656","0.0018","90","","90","","90","","17988.2","1.1","173","2","173","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","compound 5, IrCl(TpMs)(=CH-pzMs)","","","- C49 H53 B Cl Ir N8 -","- C49 H53 B Cl Ir N8 -","- C784 H848 B16 Cl16 Ir16 N128 -","16","1","","Jorge A. Lopez; Kurt Mereiter; Margarita Paneque; Manuel L. Poveda; Oracio Serrano; Swiatoslaw Trofimenko; Ernesto Carmona","Unusual Fragmentation of CH2Cl2 by an Ir(III) Centre Bonded to a Doubly Metalated TpMs Ligand (TpMs = Hydrotris(3-mesitylpyrazol-1-yl)borate)","Chemical Communications","2006","","37","","","10.1039/b608293a","","","0.71073","MoKα","","0.0358","0.0305","","","0.056","0.0578","","","","","","1.058","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101406","11.276","0.002","14.816","0.003","28.6","0.006","89.201","0.004","87.275","0.004","68.551","0.003","4442.1","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 Fe2 N4 O8 -","- C52 H52 Fe2 N4 O8 -","- C208 H208 Fe8 N16 O32 -","4","2","","Dario Braga; Stefano Giaffreda; F.Grepioni","Mechanochemical Preparation of Hybrid Organometallic-Organic Macrocyclic Adducts with Long Chain Dicarboxylic Acids","Chemical Communications","2006","","37","","","10.1039/b608691h","","","0.71073","MoKα","","0.2243","0.1189","","","0.2862","0.3563","","","","","","1.031","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101407","9.8845","0.0005","10.7413","0.0006","13.4321","0.0007","76.177","0.001","78.844","0.001","68.146","0.001","1276.62","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Fe N2 O4 -","- C29 H32 Fe N2 O4 -","- C58 H64 Fe2 N4 O8 -","2","1","","Dario Braga; Stefano Giaffreda; F.Grepioni","Mechanochemical Preparation of Hybrid Organometallic-Organic Macrocyclic Adducts with Long Chain Dicarboxylic Acids","Chemical Communications","2006","","37","","","10.1039/b608691h","","","0.71073","MoKα","","0.0527","0.039","","","0.0965","0.1046","","","","","","1.005","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7101408","9.396","0.002","10.667","0.003","24.172","0.002","78.03","0.05","88.93","0.02","81.25","0.04","2342.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Fe N2 O4 -","- C27 H28 Fe N2 O4 -","- C108 H112 Fe4 N8 O16 -","4","2","","Dario Braga; Stefano Giaffreda; F.Grepioni","Mechanochemical Preparation of Hybrid Organometallic-Organic Macrocyclic Adducts with Long Chain Dicarboxylic Acids","Chemical Communications","2006","","37","","","10.1039/b608691h","","","0.71073","MoKα","","0.1396","0.0645","","","0.1523","0.199","","","","","","0.857","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7101409","11.028","0.002","13.747","0.003","18.765","0.004","96.076","0.003","102.689","0.003","105.048","0.003","2639.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 Fe2 N4 O8 -","- C60 H68 Fe2 N4 O8 -","- C120 H136 Fe4 N8 O16 -","2","1","","Dario Braga; Stefano Giaffreda; F.Grepioni","Mechanochemical Preparation of Hybrid Organometallic-Organic Macrocyclic Adducts with Long Chain Dicarboxylic Acids","Chemical Communications","2006","","37","","","10.1039/b608691h","","","0.71073","MoKα","","0.1013","0.0694","","","0.1877","0.2152","","","","","","0.966","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101410","11.107","0.009","31.467","0.018","14.846","0.012","90","","110.33","0.08","90","","4866","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 Fe2 N4 O8 -","- C56 H60 Fe2 N4 O8 -","- C224 H240 Fe8 N16 O32 -","4","1","","Dario Braga; Stefano Giaffreda; F.Grepioni","Mechanochemical Preparation of Hybrid Organometallic-Organic Macrocyclic Adducts with Long Chain Dicarboxylic Acids","Chemical Communications","2006","","37","","","10.1039/b608691h","","","0.71073","MoKα","","0.2352","0.1271","","","0.3119","0.4224","","","","","","0.997","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101411","21.351","0.003","9.5276","0.0014","18.051","0.003","90","","96.153","0.003","90","","3650.7","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Ir N3 O2 -","- C48 H36 Ir N3 O2 -","- C192 H144 Ir4 N12 O8 -","4","1","","Marcus Weck; Alpay Kimyonok; Xian-Yong Wang.","Functionalization of polymers with phosphorescent iridium complexes via click chemistry","Chemical Communications","2006","","37","","","10.1039/b609382e","","","0.71073","MoKα","","0.1327","0.0668","","","0.1154","0.1364","","","","","","1.002","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101412","9.7215","0.0014","21.165","0.004","25.864","0.004","90","","90","","90","","5321.8","1.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H45 Cl7 O6 P2 Pd -","- C56 H45 Cl7 O6 P2 Pd -","- C224 H180 Cl28 O24 P8 Pd4 -","4","1","","Baber, R. Angharad; Bedford, Robin B.; Betham, Michael; Blake, Michael E.; Coles, Simon J.; Haddow, Mairi F.; Hursthouse, Michael B.; Orpen, A. Guy; Pilarski, Lukasz T.; Pringle, Paul G.; Wingada, Richard L.","Chiral palladium bis(phosphite) PCP-pincer complexes via ligand C‒H activation","Chemical Communications (Cambridge, United Kingdom)","2006","","37","3880","3882","10.1039/b609704a","","","0.71073","MoKα","","0.0505","0.038","","","0.081","0.0861","","","","","","1.021","","","","has coordinates,has disorder","208980","2020-10-21","18:00:00",""
"7101413","10.425","0.002","9.2502","0.0019","25.909","0.005","90","","95.57","0.03","90","","2486.8","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H30 Cl10 O6 P2 Pd -","- C49 H30 Cl10 O6 P2 Pd -","- C98 H60 Cl20 O12 P4 Pd2 -","2","1","","Baber, R. Angharad; Bedford, Robin B.; Betham, Michael; Blake, Michael E.; Coles, Simon J.; Haddow, Mairi F.; Hursthouse, Michael B.; Orpen, A. Guy; Pilarski, Lukasz T.; Pringle, Paul G.; Wingada, Richard L.","Chiral palladium bis(phosphite) PCP-pincer complexes via ligand C‒H activation","Chemical Communications (Cambridge, United Kingdom)","2006","","37","3880","3882","10.1039/b609704a","","","0.71073","MoKα","","0.0925","0.0666","","","0.1267","0.1381","","","","","","1.004","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101414","15.6433","0.0017","19.522","0.003","18.184","0.002","90","","93.354","0.005","90","","5543.7","1.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C108 H88 Cl4 O12 P4 Pd2 -","- C108 H88 Cl4 O12 P4 Pd2 -","- C216 H176 Cl8 O24 P8 Pd4 -","2","1","","Baber, R. Angharad; Bedford, Robin B.; Betham, Michael; Blake, Michael E.; Coles, Simon J.; Haddow, Mairi F.; Hursthouse, Michael B.; Orpen, A. Guy; Pilarski, Lukasz T.; Pringle, Paul G.; Wingada, Richard L.","Chiral palladium bis(phosphite) PCP-pincer complexes via ligand C‒H activation","Chemical Communications (Cambridge, United Kingdom)","2006","","37","3880","3882","10.1039/b609704a","","","1.54178","CuKα","","0.0707","0.0573","","","0.1321","0.14","","","","","","1","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101415","14.9783","0.0004","16.9346","0.0006","13.5481","0.0006","90","","99.484","0.002","90","","3389.5","0.2","423","2","156","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O3 -","- C18 H24 N2 O3 -","- C144 H192 N16 O24 -","8","2","","Wallace, Karl J.; Fagbemi, Ruth I.; Folmer-Andersen, Frantz J.; Morey, Jeroni; Lynth, Vincent M.; Anslyn, Eric V.","Detection of chemical warfare simulants by phosphorylation of a coumarin oximate","Chemical Communications (Cambridge, United Kingdom)","2006","","37","3886","3888","10.1039/b609861d","","","0.71073","MoKα","","0.2382","0.0786","","","0.1143","0.1414","","","","","","1.136","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101416","9.9644","0.0003","10.6247","0.0004","12.3651","0.0005","72.322","0.002","77.493","0.002","86.707","0.002","1217.61","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 Cl2 O2 -","- C30 H24 Cl2 O2 -","- C60 H48 Cl4 O4 -","2","1","","David Spring; David T. Blackwell; David J. Fox; Xianbin Su.; Kiyotaka Tanaka","Copper Catalyzed Oxidation of Organozinc Halides","Chemical Communications","2006","","37","","","10.1039/b610218b","","","0.71073","MoKα","","0.0751","0.0497","","","0.1019","0.1188","","","","","","1.08","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101417","8.9596","0.0002","17.7193","0.0006","10.0126","0.0003","90","","104.631","0.002","90","","1538.03","0.08","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","David Spring; David T. Blackwell; David J. Fox; Xianbin Su.; Kiyotaka Tanaka","Copper Catalyzed Oxidation of Organozinc Halides","Chemical Communications","2006","","37","","","10.1039/b610218b","","","0.71073","MoKα","","0.0595","0.0412","","","0.0878","0.0964","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101418","9.778","0.0007","13.5482","0.001","9.4858","0.0008","90","","90","","90","","1256.62","0.17","180","2","180","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","","","David Spring; David T. Blackwell; David J. Fox; Xianbin Su.; Kiyotaka Tanaka","Copper Catalyzed Oxidation of Organozinc Halides","Chemical Communications","2006","","37","","","10.1039/b610218b","","","0.71073","MoKα","","0.0486","0.0389","","","0.0744","0.0786","","","","","","1.123","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101419","9.3998","0.0002","11.4953","0.0003","13.9452","0.0004","90","","97.273","0.001","90","","1494.7","0.07","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 O4 -","- C20 H12 O4 -","- C80 H48 O16 -","4","1","","David Spring; David T. Blackwell; David J. Fox; Xianbin Su.; Kiyotaka Tanaka","Copper Catalyzed Oxidation of Organozinc Halides","Chemical Communications","2006","","37","","","10.1039/b610218b","","","0.71073","MoKα","","0.0608","0.0439","","","0.0945","0.1035","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101420","10.1411","0.0017","18.928","0.003","15.605","0.003","90","","101.751","0.003","90","","2932.6","0.9","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H60 B2 N12 Ni O4 S4 W2 -","- C52 H60 B2 N12 Ni O4 S4 W2 -","- C104 H120 B4 N24 Ni2 O8 S8 W4 -","2","0.5","","Wolfram Willy Seidel; Tania Pape; Markus Schaffrath","Acetylenedithiolate alkyne complex formation renders it a dithiolate chelate ligand","Chemical Communications","2006","","38","","","10.1039/b606068d","","","0.71073","MoKα","","0.0622","0.048","","","0.0944","0.0994","","","","","","1.049","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101421","10.19","0.0017","18.993","0.003","15.757","0.003","90","","101.582","0.003","90","","2987.5","0.9","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H60 B2 N12 O4 Pd S4 W2 -","- C52 H60 B2 N12 O4 Pd S4 W2 -","- C104 H120 B4 N24 O8 Pd2 S8 W4 -","2","0.5","","Wolfram Willy Seidel; Tania Pape; Markus Schaffrath","Acetylenedithiolate alkyne complex formation renders it a dithiolate chelate ligand","Chemical Communications","2006","","38","","","10.1039/b606068d","","","0.71073","MoKα","","0.055","0.0346","","","0.0669","0.0734","","","","","","1.019","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101422","10.1525","0.0013","18.891","0.003","15.748","0.002","90","","101.498","0.003","90","","2959.6","0.7","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H60 B2 N12 O4 Pt S4 W2 -","- C52 H60 B2 N12 O4 Pt S4 W2 -","- C104 H120 B4 N24 O8 Pt2 S8 W4 -","2","0.5","","Wolfram Willy Seidel; Tania Pape; Markus Schaffrath","Acetylenedithiolate alkyne complex formation renders it a dithiolate chelate ligand","Chemical Communications","2006","","38","","","10.1039/b606068d","","","0.71073","MoKα","","0.0495","0.0388","","","0.0861","0.0911","","","","","","1.03","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101423","12.835","0.002","13.514","0.002","15.052","0.002","70.472","0.004","83.347","0.003","64.73","0.003","2224.1","0.6","243","2","243","2","","","","","","","","6","P -1","-P 1","2","CuTm","","","- C84 H98 B2 Cu2 N18 S6 -","- C84 H98 B2 Cu2 N18 S6 -","- C84 H98 B2 Cu2 N18 S6 -","1","0.5","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.0797","0.0684","","","0.174","0.1922","","","","","","1.083","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101424","16.3657","0.0012","22.2796","0.0015","24.5408","0.0018","90","","109.216","0.001","90","","8449.5","1","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 B2 Cl4 Ga2 N14 Se6 -","- C76 H86 B2 Cl4 Ga2 N14 Se6 -","- C304 H344 B8 Cl16 Ga8 N56 Se24 -","4","1","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.105","0.0556","","","0.1222","0.1459","","","","","","1.006","","","","has coordinates,has disorder","180116","2020-10-21","18:00:00",""
"7101425","16.4638","0.001","22.3689","0.0014","24.8616","0.0016","90","","108.965","0.001","90","","8658.9","0.9","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 B2 Cl4 In2 N14 Se6 -","- C76 H86 B2 Cl4 In2 N14 Se6 -","- C304 H344 B8 Cl16 In8 N56 Se24 -","4","1","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.1196","0.0425","","","0.0528","0.06","","","","","","1.016","","","","has coordinates,has disorder","180116","2020-10-21","18:00:00",""
"7101426","10.3336","0.0007","21.6225","0.0017","30.39","0.002","90","","92.894","0.002","90","","6781.7","0.9","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H70 B N6 O3 Re Se3 -","- C69 H70 B N6 O3 Re Se3 -","- C276 H280 B4 N24 O12 Re4 Se12 -","4","1","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.0988","0.05","","","0.1164","0.1386","","","","","","1.027","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101427","14.8227","0.0013","14.8227","0.0013","37.136","0.005","90","","90","","120","","7066.1","1.2","243","2","243","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C39 H52 B Hg I N6 O3 Se3 -","- C39 H52 B Hg I N6 O3 Se3 -","- C234 H312 B6 Hg6 I6 N36 O18 Se18 -","6","0.333333","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.0734","0.0512","","","0.1315","0.1424","","","","","","1.003","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101428","14.6187","0.0014","14.6187","0.0014","77.975","0.011","90","","90","","120","","14431","3","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C42 H49 B I N9 Se3 Zn -","- C36 H39 B I N6 Se3 Zn -","- C432 H468 B12 I12 N72 Se36 Zn12 -","12","0.333333","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.0582","0.0406","","","0.1294","0.1359","","","","","","1.022","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101429","10.1948","0.0009","21.59","0.002","27.969","0.002","90","","96.845","0.002","90","","6112.2","0.9","243","2","243","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H64 B N6 O3 Re S3 -","- C63 H64 B N6 O3 Re S3 -","- C252 H256 B4 N24 O12 Re4 S12 -","4","1","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.2523","0.0705","","","0.1183","0.15","","","","","","1.009","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101430","13.111","0.003","13.614","0.003","15.098","0.003","69.291","0.004","81.177","0.003","63.195","0.004","2249.9","0.9","263","2","263","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H98 B2 Cu2 N18 Se6 -","- C84 H98 B2 Cu2 N18 Se6 -","- C84 H98 B2 Cu2 N18 Se6 -","1","0.5","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.0851","0.0508","","","0.1098","0.1169","","","","","","1.245","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101431","14.6142","0.0007","14.6142","0.0007","78.868","0.005","90","","90","","120","","14587.6","1.4","243","2","243","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C42 H49 B Cd I N9 Se3 -","- C42 H49 B Cd I N9 Se3 -","- C504 H588 B12 Cd12 I12 N108 Se36 -","12","0.333333","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.1397","0.0586","","","0.1266","0.1529","","","","","","1.006","","","","has coordinates,has disorder","180116","2020-10-21","18:00:00",""
"7101432","9.3041","0.0008","21.886","0.002","22.382","0.002","73.753","0.002","85.956","0.002","89.978","0.002","4363.7","0.7","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H45 B N6 S Se3 Zn -","- C42 H45 B N6 S Se3 Zn -","- C168 H180 B4 N24 S4 Se12 Zn4 -","4","2","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.1302","0.0791","","","0.1839","0.2044","","","","","","1.109","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101433","20.64","0.003","18.829","0.003","24.172","0.004","90","","92.623","0.002","90","","9384","2","243","2","243","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H95 B2 N17 Se6 Zn -","- C72 H80 B2 N12 Se6 Zn -","- C288 H320 B8 N48 Se24 Zn4 -","4","0.5","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.1724","0.052","","","0.0836","0.0898","","","","","","1.003","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101434","14.7744","0.0008","14.7744","0.0008","38.319","0.002","90","","90","","120","","7243.7","0.7","243","2","243","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H49 B Co I N9 Se3 -","- C42 H49 B Co I N9 Se3 -","- C252 H294 B6 Co6 I6 N54 Se18 -","6","0.333333","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.0392","0.0307","","","0.0793","0.083","","","","","","1.016","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101435","18.504","0.001","19.606","0.001","45.288","0.001","90","","90","","90","","16430","1.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H66 N8 O4 Zn5 -","- C24 H66 N8 O4 Zn5 -","- C384 H1056 N128 O64 Zn80 -","16","2","","Norbert Mitzel; Raphael J. F. Berger; Roland Frohlich; Surajit Jana","First mixed hydrazide/hydroxylamide metal aggregates - fine tuning the N:O content of zinc compounds","Chemical Communications","2006","","38","","","10.1039/b608135e","","","0.71073","MoKα","","0.1335","0.0548","","","0.0878","0.1055","","","","","","1.011","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101436","11.369","0.002","15.909","0.003","25.86","0.005","90","","90","","90","","4677.3","1.5","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H82 N8 O4 Zn5 -","- C34 H82 N8 O4 Zn5 -","- C136 H328 N32 O16 Zn20 -","4","0.5","","Norbert Mitzel; Raphael J. F. Berger; Roland Frohlich; Surajit Jana","First mixed hydrazide/hydroxylamide metal aggregates - fine tuning the N:O content of zinc compounds","Chemical Communications","2006","","38","","","10.1039/b608135e","","","0.71073","MoKα","","0.0931","0.0759","","","0.1533","0.1611","","","","","","1.195","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101437","8.155","0.002","15.305","0.004","6.8667","0.0018","90","","99.895","0.005","90","","844.3","0.4","89","2","89","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C2 H2 N7 O2, C H6 N3","","","- C3 H8 N10 O2 -","- C3 H8 N10 O2 -","- C12 H32 N40 O8 -","4","1","","J. M. Shreeve; Haixiang Gao; M. Hiskey; Brendan Twamley; Ruihu Wang.","3-Amino-6-nitroamino-tetrazine (ANAT)-Based Energetic Salts","Chemical Communications","2006","","38","","","10.1039/b608214a","","","0.71073","MoKα","","0.034","0.0318","","","0.0782","0.0795","","","","","","1.1","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101438","10.1192","0.0003","13.9716","0.0004","24.4089","0.0007","90","","91.565","0.002","90","","3449.68","0.17","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48.5 B Cr N9.5 O0.5 -","- C28 H48.5 B Cr N9.5 O0.5 -","- C112 H194 B4 Cr4 N38 O2 -","4","1","","Stephen Holmes; Rodolphe Clerac; Dongfeng Li.; Sean Parkin; Chad Ruschman","Syntheses, Structures, and Magnetic Characterization of Dicyanometalate(II) Building Blocks: [NEt4][(Tp*)MII(CN)2] [MII = Cr, Co, Ni; Tp* = hydridotris(3,5-diemethylpyrazolyl)borate]","Chemical Communications","2006","","38","","","10.1039/b608297a","","","1.54178","CuKα","","0.0927","0.0761","","","0.2104","0.2234","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101439","9.9894","0.0002","13.789","0.0003","24.3416","0.0006","90","","93.2557","0.001","90","","3347.49","0.13","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H50 B Co N10 O0.5 -","- C29 H50 B Co N10 O0.5 -","- C116 H200 B4 Co4 N40 O2 -","4","1","","Stephen Holmes; Rodolphe Clerac; Dongfeng Li.; Sean Parkin; Chad Ruschman","Syntheses, Structures, and Magnetic Characterization of Dicyanometalate(II) Building Blocks: [NEt4][(Tp*)MII(CN)2] [MII = Cr, Co, Ni; Tp* = hydridotris(3,5-diemethylpyrazolyl)borate]","Chemical Communications","2006","","38","","","10.1039/b608297a","","","0.71073","MoKα","","0.1144","0.0607","","","0.1503","0.1718","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101440","10.082","0.0001","13.765","0.0002","24.361","0.0004","90","","91.318","0.0006","90","","3379.89","0.08","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H50 B N10 Ni O0.5 -","- C29 H50 B N10 Ni O0.5 -","- C116 H200 B4 N40 Ni4 O2 -","4","1","","Stephen Holmes; Rodolphe Clerac; Dongfeng Li.; Sean Parkin; Chad Ruschman","Syntheses, Structures, and Magnetic Characterization of Dicyanometalate(II) Building Blocks: [NEt4][(Tp*)MII(CN)2] [MII = Cr, Co, Ni; Tp* = hydridotris(3,5-diemethylpyrazolyl)borate]","Chemical Communications","2006","","38","","","10.1039/b608297a","","","0.71073","MoKα","","0.1082","0.0493","","","0.1149","0.1361","","","","","","1.002","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101441","31.474","0.007","14.028","0.004","9.3475","0.0018","90","","90","","90","","4127.2","1.7","173.1","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H43 B N4 Ni O3 -","- C44 H41 B N4 Ni O3 -","- C176 H164 B4 N16 Ni4 O12 -","4","1","","Shinobu Itoh; Takayuki Nagataki; Yoshimitsu Tachi","Ni(II)(TPA) as an efficient catalyst for alkane hydroxylation with m-CPBA","Chemical Communications","2006","","38","","","10.1039/b608311k","","","0.71075","MoKα","","","0.0576","","","","0.0958","","","","","","1.007","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101442","11.103","0.006","13.01","0.007","13.255","0.01","97.54","0.02","104.24","0.02","90.66","0.018","1838","2","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H41 B Co N4 O2 -","- C44 H41 B Co N4 O2 -","- C88 H82 B2 Co2 N8 O4 -","2","1","","Shinobu Itoh; Takayuki Nagataki; Yoshimitsu Tachi","Ni(II)(TPA) as an efficient catalyst for alkane hydroxylation with m-CPBA","Chemical Communications","2006","","38","","","10.1039/b608311k","","","0.71075","MoKα","","","0.0292","","","","0.0479","","","","","","1.007","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101443","10.919","0.011","12.417","0.01","13.935","0.01","105","0.03","95.42","0.03","92.6","0.03","1812","3","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H82 B2 Fe2 N8 O4 -","- C88 H82 B2 Fe2 N8 O4 -","- C88 H82 B2 Fe2 N8 O4 -","1","0.5","","Shinobu Itoh; Takayuki Nagataki; Yoshimitsu Tachi","Ni(II)(TPA) as an efficient catalyst for alkane hydroxylation with m-CPBA","Chemical Communications","2006","","38","","","10.1039/b608311k","","","0.71075","MoKα","","","0.0458","","","","0.0542","","","","","","1.018","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101444","10.865","0.007","12.502","0.01","14.047","0.008","105.04","0.02","95.394","0.02","91.88","0.03","1831","2","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H82 B2 Mn2 N8 O4 -","- C88 H82 B2 Mn2 N8 O4 -","- C88 H82 B2 Mn2 N8 O4 -","1","0.5","","Shinobu Itoh; Takayuki Nagataki; Yoshimitsu Tachi","Ni(II)(TPA) as an efficient catalyst for alkane hydroxylation with m-CPBA","Chemical Communications","2006","","38","","","10.1039/b608311k","","","0.71075","MoKα","","","0.0324","","","","0.0408","","","","","","1.011","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101445","41.067","0.002","12.0077","0.0007","21.7474","0.0012","90","","104.579","0.001","90","","10378.7","1","235","2","235","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(arene)2Yb(THF)2","","","- C58 H82 O2 Yb -","- C58 H82 O2 Yb -","- C464 H656 O16 Yb8 -","8","1","","Berg, David J.; Sun, Jianlong; Twamley, Brendan","The Synthesis, X-ray Structure and Fluxional Behaviour of an Ytterbium(II) Phenalenide Complex","Chemical Communications","2006","","38","","","10.1039/b609084b","","","0.71073","MoKα","","0.0344","0.0283","","","0.0692","0.0726","","","","","","1.016","","","","has coordinates,has disorder","180116","2020-10-21","18:00:00",""
"7101446","12.0456","0.001","16.5002","0.0013","18.0752","0.0014","90","","93.404","0.001","90","","3586.2","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Hf Sb -","- C43 H51 Hf Sb -","- C172 H204 Hf4 Sb4 -","4","1","","T. Don Tilley; Rory Waterman","Terminal stibinidene ligands. Generation of CpCp*Hf=Sb(dmp) and trapping reactions with PMe3 and 2-butyne","Chemical Communications","2006","","38","","","10.1039/b609773a","","","0.71073","MoKα","","0.0417","0.0364","","","0.0667","0.0682","","","","","","1.233","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101447","18.515","0.004","8.3709","0.0017","18.448","0.004","90","","90","","90","","2859.2","1","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H43 Cl Ge N2 -","- C29 H43 Cl Ge N2 -","- C116 H172 Cl4 Ge4 N8 -","4","1","","Cameron Jones; Shaun P. Green; Peter Junk; Kai-Alexander Lippert; Andreas Stasch","Synthetic, Structural and Theoretical Studies of Amidinate and Guanidinate Stabilised Germanium(I) Dimers","Chemical Communications","2006","","38","","","10.1039/b610645e","","","0.71073","MoKα","","0.071","0.0548","","","0.1133","0.1209","","","","","","1.07","","","","has coordinates,has disorder","180116","2020-10-21","18:00:00",""
"7101448","17.62","0.004","12.441","0.003","14.419","0.003","90","","100.69","0.03","90","","3106.1","1.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H48 Cl Ge N3 -","- C31 H48 Cl Ge N3 -","- C124 H192 Cl4 Ge4 N12 -","4","1","","Cameron Jones; Shaun P. Green; Peter Junk; Kai-Alexander Lippert; Andreas Stasch","Synthetic, Structural and Theoretical Studies of Amidinate and Guanidinate Stabilised Germanium(I) Dimers","Chemical Communications","2006","","38","","","10.1039/b610645e","","","0.71073","MoKα","","0.0683","0.0643","","","0.1349","0.1374","","","","","","1.157","","","","has coordinates,has disorder","180116","2020-10-21","18:00:00",""
"7101449","19.051","0.004","16.77","0.003","19.911","0.004","90","","95.77","0.03","90","","6329","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H94 Ge2 N4 O -","- C62 H86 Ge2 N4 O -","- C248 H344 Ge8 N16 O4 -","4","0.5","","Cameron Jones; Shaun P. Green; Peter Junk; Kai-Alexander Lippert; Andreas Stasch","Synthetic, Structural and Theoretical Studies of Amidinate and Guanidinate Stabilised Germanium(I) Dimers","Chemical Communications","2006","","38","","","10.1039/b610645e","","","0.71073","MoKα","","0.0791","0.0504","","","0.1112","0.1211","","","","","","1.033","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101450","11.818","0.002","14.892","0.003","17.589","0.004","90","","103.72","0.03","90","","3007.3","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H96 Ge2 N6 -","- C62 H96 Ge2 N6 -","- C124 H192 Ge4 N12 -","2","0.5","","Cameron Jones; Shaun P. Green; Peter Junk; Kai-Alexander Lippert; Andreas Stasch","Synthetic, Structural and Theoretical Studies of Amidinate and Guanidinate Stabilised Germanium(I) Dimers","Chemical Communications","2006","","38","","","10.1039/b610645e","","","0.71073","MoKα","","0.1337","0.0761","","","0.1116","0.1267","","","","","","1.025","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101451","15.583","0.002","15.583","0.002","9.964","0.001","90","","90","","120","","2095.4","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 61","P 61","169","","","","- C12 H15 N3 O2 -","- C12 H15 N3 O2 -","- C72 H90 N18 O12 -","6","1","","Schaffner, Arnaud-Pierre; Lena, Gersande; Roussel, Solveig; Wawrezinieck, Anne; Aubry, André; Briand, Jean-Paul; Didierjean, Claude; Guichard, Gilles","Porous 3-D honeycomb architecture by self-assembly of helical H-bonded molecular tapes","Chemical Communications (Cambridge, United Kingdom)","2006","","39","4069","4071","10.1039/b604747e","","x-ray","1.5406","","","0.0489","0.0462","","","0.1178","0.1246","","","","","","1.13","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101452","15.7533","0.0003","10.5328","0.0002","17.8744","0.0005","90","","102.805","0.0001","90","","2892.07","0.11","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C63 H70.52 N9 O9.76 -","- C63 H70.518 N9 O9.759 -","- C126 H141.036 N18 O19.518 -","2","1","","Schaffner, Arnaud-Pierre; Lena, Gersande; Roussel, Solveig; Wawrezinieck, Anne; Aubry, André; Briand, Jean-Paul; Didierjean, Claude; Guichard, Gilles","Porous 3-D honeycomb architecture by self-assembly of helical H-bonded molecular tapes","Chemical Communications (Cambridge, United Kingdom)","2006","","39","4069","4071","10.1039/b604747e","","x-ray","0.71073","MoKα","","0.1228","0.0531","","","0.1205","0.1443","","","","","","0.956","","","","has coordinates,has disorder","277870","2022-09-15","11:09:06",""
"7101453","15.3543","0.0011","15.3543","0.0011","9.7571","0.0017","90","","90","","120","","1992.1","0.4","100","2","293","2","","","","","","","synthesis as described","4","P 61","P 61","169","","","","- C12 H15 N3 O2 -","- C12 H15 N3 O2 -","- C72 H90 N18 O12 -","6","1","","Schaffner, Arnaud-Pierre; Lena, Gersande; Roussel, Solveig; Wawrezinieck, Anne; Aubry, André; Briand, Jean-Paul; Didierjean, Claude; Guichard, Gilles","Porous 3-D honeycomb architecture by self-assembly of helical H-bonded molecular tapes","Chemical Communications (Cambridge, United Kingdom)","2006","","39","4069","4071","10.1039/b604747e","","x-ray","0.71073","MoKα","","0.0727","0.0636","","","0.174","0.1832","","","","","","1.058","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101454","10.459","0.004","11.722","0.004","13.077","0.003","112.29","0.02","94.97","0.03","94.69","0.03","1466.4","0.9","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H29 Cl Cu F N5 O7 -","- C29 H29 Cl Cu F N5 O7 -","- C58 H58 Cl2 Cu2 F2 N10 O14 -","2","1","","Michel, Fabien; Hamman, Sylvain; Thomas, Fabrice; Philouze, Christian; Gautier-Luneau, Isabelle; Pierre, Jean-Louis","Galactose Oxidase models: 19F NMR as a powerful tool to study the solution chemistry of tripodal ligands in the presence of copper(II)","Chemical Communications (Cambridge, United Kingdom)","2006","","39","4122","4124","10.1039/B605852C","","","0.71073","MoKα","","0.0394","0.0394","","0.0492","","0.0492","","","1.229","","","1.229","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101455","11.938","0.003","17.472","0.003","17.886","0.003","73.2","0.2","81.81","0.02","75.46","0.02","3447","3","150","","","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H65 Cl4 Cu2 F2 N11 O23 -","- C60 H63 Cl4 Cu2 F2 N11 O23 -","- C120 H126 Cl8 Cu4 F4 N22 O46 -","2","1","","Michel, Fabien; Hamman, Sylvain; Thomas, Fabrice; Philouze, Christian; Gautier-Luneau, Isabelle; Pierre, Jean-Louis","Galactose Oxidase models: 19F NMR as a powerful tool to study the solution chemistry of tripodal ligands in the presence of copper(II)","Chemical Communications (Cambridge, United Kingdom)","2006","","39","4122","4124","10.1039/B605852C","","x-ray","0.71073","MoKα","","","0.093","","","","0.2731","","","","","","1.117","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101456","23.4154","0.0004","12.3194","0.0003","34.0731","0.0008","90","","109.066","0.001","90","","9289.7","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H84 I O P2 Rh -","- C43 H84 I0.9972 O P2 Rh -","- C344 H672 I7.9776 O8 P16 Rh8 -","8","1","","J.Gladysz; Frank Hampel; Takanori Shima; Leyong Wang.","Gyroscope-Like Molecules Consisting of Three-Spoke Stators that Enclose Switchable Neutral Dipolar Rhodium Rotators; Reversible Cycling between Faster and Slower Spinning Rh(CO)I and Rh(CO)2I Species","Chemical Communications","2006","","39","","","10.1039/b606728j","","","0.71073","MoKα","","0.1181","0.0494","","","0.1051","0.1433","","","","","","0.947","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101457","7.5626","0.0011","12.1894","0.0015","12.239","0.004","90","","90","","90","","1128.2","0.4","298","2","298","2","0","","0","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.0429","0.0384","","","0.0784","0.0817","","","","","","1.04","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101458","7.3362","0.0008","11.9411","0.0011","11.864","0.003","90","","90","","90","","1039.3","0.3","298","2","298","2","1260000","","1260000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.0428","0.0389","","","0.0934","0.0993","","","","","","1.13","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101459","7.2357","0.0009","11.8141","0.0012","11.692","0.003","90","","90","","90","","999.5","0.3","298","2","298","2","2350000","","2350000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.0404","0.036","","","0.0789","0.0842","","","","","","1.14","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101460","7.152","0.002","11.695","0.002","11.553","0.004","90","","90","","90","","966.3","0.5","298","2","298","2","3600000","","3600000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.0449","0.035","","","0.0645","0.0706","","","","","","1.06","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101461","7.0777","0.0012","11.601","0.008","11.4241","0.001","90","","90","","90","","938","0.7","298","2","298","2","4250000","","4250000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.03","0.0294","","","0.0679","0.0681","","","","","","1.25","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101462","7.0624","0.0012","11.5835","0.0009","11.2892","0.0012","90","","90","","90","","923.5","0.2","298","2","298","2","4600000","","4600000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.0416","0.0408","","","0.1021","0.1026","","","","","","1.14","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101463","7.0324","0.0008","11.5032","0.0011","11.223","0.003","90","","90","","90","","907.9","0.2","298","2","298","2","5350000","","5350000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.071","0.0689","","","0.1664","0.1685","","","","","","1.08","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101464","6.9416","0.0009","11.3535","0.0013","11.116","0.003","90","","90","","90","","876","0.3","298","2","298","2","7310000","","7310000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.0506","0.0479","","","0.1113","0.1143","","","","","","1.07","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101465","6.9234","0.0009","11.3268","0.0011","11.089","0.002","90","","90","","90","","869.6","0.2","298","2","298","2","7680000","","7680000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.0432","0.0404","","","0.0968","0.0993","","","","","","1.12","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101466","11.241","0.0006","12.6521","0.0007","13.02","0.0007","78.282","0.001","85.761","0.001","68.637","0.001","1688.56","0.16","190","2","190","2","","","","","","","","6","P -1","-P 1","2","tetraphenylphosphonium (N,N'-bis(2-Hydroxyiminopropionyl) propane-1,3-diamine)-cuprate(ii) tetrahemyhydrate","tetraphenylphosphonium (N,N'-bis(2-Hydroxyiminopropionyl) propane-1,3-diamine)-cuprate(II) tetrahemyhydrate","","- C33 H42 Cu N4 O8.5 P -","- C33 H42 Cu N4 O8.5 P -","- C66 H84 Cu2 N8 O17 P2 -","2","1","","Fritsky, Igor O.; Kozłowski, Henryk; Kanderal, Olga M.; Haukka, Matti; Świątek-Kozłowska, Jolanta; Gumienna-Kontecka, Elżbieta; Meyer, Franc","Efficient stabilization of copper(III) in tetraaza pseudo-macrocyclic oxime-and-hydrazide ligands with adjustable cavity size","Chemical Communications (Cambridge, United Kingdom)","2006","","39","4125","4127","10.1039/b608236j","","","0.71073","MoKα","","0.059","0.0414","","","0.0978","0.1078","","","","","","1.064","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101467","15.0247","0.0006","11.6299","0.0006","18.2082","0.0008","90","","107.669","0.003","90","","3031.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(lithium (N,N'-bis(2-Hydroxyiminopropionyl)propane-1,3- diamine)-cuprate(ii)) monohydrate formaldehyde solvate","bis{lithium (N,N'-bis(2-Hydroxyiminopropionyl)propane-1,3-diamine)- cuprate(II)} monohydrate formaldehyde solvate","","- C19 H30 Cu2 Li2 N12 O12 -","- C19 H30 Cu2 Li2 N12 O12 -","- C76 H120 Cu8 Li8 N48 O48 -","4","1","","Fritsky, Igor O.; Kozłowski, Henryk; Kanderal, Olga M.; Haukka, Matti; Świątek-Kozłowska, Jolanta; Gumienna-Kontecka, Elżbieta; Meyer, Franc","Efficient stabilization of copper(III) in tetraaza pseudo-macrocyclic oxime-and-hydrazide ligands with adjustable cavity size","Chemical Communications (Cambridge, United Kingdom)","2006","","39","4125","4127","10.1039/b608236j","","","0.71073","MoKα","","0.0719","0.0422","","","0.0943","0.1071","","","","","","1.049","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101468","8.144","0.002","9.362","0.002","11.394","0.002","91.83","0.03","91.08","0.03","111.53","0.03","807.3","0.3","293","2","190","2","","","","","","","","6","P -1","-P 1","2","(N,N'-bis(2-Hydroxyiminopropionyl) propane-1,3- diamine)(methylsulfoxide)-cuprate(iii))","{N,N'-bis(2-Hydroxyiminopropionyl) propane-1,3-diamine)(methylsulfoxide)-cuprate(III)}","","- C11 H19 Cu N6 O6 S -","- C11 H19 Cu N6 O6 S -","- C22 H38 Cu2 N12 O12 S2 -","2","1","","Fritsky, Igor O.; Kozłowski, Henryk; Kanderal, Olga M.; Haukka, Matti; Świątek-Kozłowska, Jolanta; Gumienna-Kontecka, Elżbieta; Meyer, Franc","Efficient stabilization of copper(III) in tetraaza pseudo-macrocyclic oxime-and-hydrazide ligands with adjustable cavity size","Chemical Communications (Cambridge, United Kingdom)","2006","","39","4125","4127","10.1039/b608236j","","","0.71073","MoKα","","0.04","0.0328","","","0.0822","0.0843","","","","","","1.076","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101469","12.859","0.0013","7.0434","0.0008","27.665","0.002","90","","93.603","0.002","90","","2500.7","0.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(dicopper(ii)(N,N'-bis(2-oxyiminopropionyl) propane-1,3- diamine)(2,2'-dipyridine) pentahydrate","bis(dicopper(II)(N,N'-bis(2-oxyiminopropionyl) propane-1,3-diamine)(2,2'-dipyridine) pentahydrate","","- C19 H30 Cu2 N8 O10 -","- C19 H20 Cu2 N8 O10 -","- C76 H80 Cu8 N32 O40 -","4","1","","Fritsky, Igor O.; Kozłowski, Henryk; Kanderal, Olga M.; Haukka, Matti; Świątek-Kozłowska, Jolanta; Gumienna-Kontecka, Elżbieta; Meyer, Franc","Efficient stabilization of copper(III) in tetraaza pseudo-macrocyclic oxime-and-hydrazide ligands with adjustable cavity size","Chemical Communications (Cambridge, United Kingdom)","2006","","39","4125","4127","10.1039/b608236j","","","0.71073","MoKα","","0.0756","0.0534","","","0.1397","0.1488","","","","","","1.054","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101470","7.0292","0.0008","15.6245","0.0017","16.1876","0.0017","90","","90","","90","","1777.8","0.3","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","(Zn2(polyox)(pmtz)2)","","","- C6 H3 N6 O2 Zn -","- C7 H3 N6 O3 Zn -","- C56 H24 N48 O24 Zn8 -","8","","","E Colacio; A. Rodriguez-Dieguez","[Znn(polyox)(pmtz)n]: The first polyoxalate containing coordination polymer from an unforeseen chemical rearrangement of 5-pyrimidyl-tetrazole under hydrothermal conditions.","Chemical Communications","2006","","39","","","10.1039/b608403f","","","0.71073","MoKα","","0.084","0.0798","","","0.2239","0.227","","","","","","1.225","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101471","12.301","0.002","6.0698","0.0004","11.6656","0.0004","90","","100.958","0.004","90","","855.1","0.2","293","","293","","","","","","","","","4","P 21/c","-P 2ybc","14","3-Methyl-3-propylpyrrolidine-2,5-dione","3-Methyl-3-propylpyrrolidine-2,5-dione","","- C8 H13 N O2 -","- C8 H13 N O2 -","- C32 H52 N4 O8 -","4","","","M.Tremayne; S.Y.Chong","Combined optimization using Cultural and Differential Evolution: Application to crystal structure solution from powder diffraction data.","Chemical Communications","2006","","39","","","10.1039/b609138e","powder diffraction","","1.54056","CuKα~1~","","","","","","","","0.198","","1.04","","","","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101472","10.7645","0.0004","10.8448","0.0003","13.3319","0.0005","78.687","0.001","69.861","0.001","68.875","0.001","1358.37","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","in paper 3a","","","- C34 H29 N O2 S -","- C34 H29 N O2 S -","- C68 H58 N2 O4 S2 -","2","1","","D.D'Souza; T.J.J.Muller; F.Rominger","Coupling-Isomerization-Claisen Sequences - Mechanistic Dichotomies in Hetero Domino Reactions","Chemical Communications","2006","","39","","","10.1039/b609669g","","","0.71073","MoKα","","0.0863","0.0451","","","0.096","0.1108","","","","","","1.008","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101473","9.142","0.0003","11.3244","0.0004","14.2565","0.0005","71.9","0.001","89.355","0.001","77.085","0.001","1364.72","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","in paper 4b","","","- C35 H24 Cl N O -","- C35 H24 Cl N O -","- C70 H48 Cl2 N2 O2 -","2","1","","D.D'Souza; T.J.J.Muller; F.Rominger","Coupling-Isomerization-Claisen Sequences - Mechanistic Dichotomies in Hetero Domino Reactions","Chemical Communications","2006","","39","","","10.1039/b609669g","","","0.71073","MoKα","","0.1021","0.0487","","","0.1072","0.1259","","","","","","1.011","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101474","8.9794","0.0003","11.1754","0.0004","14.8724","0.0006","87.793","0.001","74.637","0.001","88.191","0.001","1437.67","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","in paper 6b","","","- C34 H25 Cl3 O2 S -","- C34 H25 Cl3 O2 S -","- C68 H50 Cl6 O4 S2 -","2","1","","D.D'Souza; T.J.J.Muller; F.Rominger","Coupling-Isomerization-Claisen Sequences - Mechanistic Dichotomies in Hetero Domino Reactions","Chemical Communications","2006","","39","","","10.1039/b609669g","","","0.71073","MoKα","","0.0788","0.0434","","","0.1041","0.1195","","","","","","1.013","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7101475","8.905","0.004","30.8","0.01","10.012","0.005","90","","99.91","0.01","90","","2705","2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","in paper 7a","","","- C36 H28 O3 -","- C36 H28 O3 -","- C144 H112 O12 -","4","1","","D.D'Souza; T.J.J.Muller; F.Rominger","Coupling-Isomerization-Claisen Sequences - Mechanistic Dichotomies in Hetero Domino Reactions","Chemical Communications","2006","","39","","","10.1039/b609669g","","","0.71073","MoKα","","0.0737","0.0472","","","0.1082","0.1206","","","","","","0.908","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101476","18.3","0.004","6.1987","0.0018","12.443","0.004","90","","90","","90","","1411.5","0.7","293","2","293","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N O7 -","- C13 H15 N O7 -","- C52 H60 N4 O28 -","4","1","","Juan Carlos Ortiz; Lidia Ozores; Fernando Cagide-Fagín; Ricardo Alonso","Annulation of β-aryl-α-nitro-α,β-enals and 2,2-dimethyl-1,3-dioxan-5-one: a one-step assembly of nitrocyclitols. Application to a short practical synthesis of (±)-7-deoxy-2-epi-pancratistatin tetraacetate","Chemical Communications","2006","","40","","","10.1039/b606277f","","x-ray","1.5418","CuKα","","0.1021","0.0469","","","0.1126","0.1382","","","","","","1.061","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101477","9.6224","0.0005","14.022","0.0008","16.2566","0.0009","101.369","0.005","105.131","0.005","90.22","0.004","2072.3","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C59 H112 F3 N12 O18.5 -","- C59 H112 F3 N12 O18.5 -","- C59 H112 F3 N12 O18.5 -","1","1","","Arindam Banerjee; Apurba Kumar Das; Michael G.B Drew; Sudpita Ray","A short water-soluble self-assembling peptide forms amyloid-like fibrils","Chemical Communications","2006","","40","","","10.1039/b607657b","","","0.71073","MoKα","","0.1376","0.1266","","","0.3202","0.3327","","","","","","1.466","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101478","11.2794","0.0012","13.6313","0.0014","12.1349","0.0013","90","","113.856","0.01","90","","1706.4","0.3","291","2","291","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H15 Fe2 N O5 S2 -","- C11 H15 Fe2 N O5 S2 -","- C44 H60 Fe8 N4 O20 S8 -","4","1","","Sascha Ott; Jesper Ekstrom; Reiner Lomoth; Lennart Schwartz","Dynamic ligation at the first amine-coordinated iron hydrogenase active site mimic","Chemical Communications","2006","","40","","","10.1039/b608260b","","","0.71073","MoKα","","0.0776","0.0492","","","0.132","0.1455","","","","","","1.063","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101479","12.479","0.0009","14.1516","0.0009","16.1406","0.0011","101.538","0.001","99.854","0.001","95.816","0.001","2724.3","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Bis((10,15,20-triphenylporphyrinato-5-yl)nickel(ii))amine","Bis[(10,15,20-triphenylporphyrinato-5-yl)nickel(II)]amine","","- C76 H47 N9 Ni2 -","- C76 H47 N9 Ni2 -","- C152 H94 N18 Ni4 -","2","1","","Louisa J. Esdaile; D.P.Arnold; M.Senge","New palladium catalysed reactions of bromoporphyrins: synthesis and crystal structures of nickel(II) complexes of primary 5-aminoporphyrin, 5,5'-bis(porphyrinyl) secondary amine, and 5-hydroxyporphyrin","Chemical Communications","2006","","40","","","10.1039/b608365j","","","0.71073","MoKα","","0.1354","0.0566","","","0.1178","0.1489","","","","","","0.965","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101480","9.6815","0.0019","12.028","0.002","12.986","0.003","69.02","0.03","77.92","0.03","85.14","0.03","1380.6","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","(5-Hydroxy-10,15,20-triphenylporphyrinato)nickel(ii)","(5-Hydroxy-10,15,20-triphenylporphyrinato)nickel(II)","","- C38 H24 N4 Ni O -","- C38 H24 N4 Ni O -","- C76 H48 N8 Ni2 O2 -","2","1","","Louisa J. Esdaile; D.P.Arnold; M.Senge","New palladium catalysed reactions of bromoporphyrins: synthesis and crystal structures of nickel(II) complexes of primary 5-aminoporphyrin, 5,5'-bis(porphyrinyl) secondary amine, and 5-hydroxyporphyrin","Chemical Communications","2006","","40","","","10.1039/b608365j","","","0.71073","MoKα","","0.0862","0.0573","","","0.1464","0.169","","","","","","1.052","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101481","6.4778","0.0002","19.0155","0.0006","22.2824","0.0007","90","","90","","90","","2744.72","0.15","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(5-Amino-10,15,20-triphenylporphyrinato)nickel(ii)","(5-Amino-10,15,20-triphenylporphyrinato)nickel(II)","","- C38 H25 N5 Ni -","- C38 H25 N5 Ni -","- C152 H100 N20 Ni4 -","4","1","","Louisa J. Esdaile; D.P.Arnold; M.Senge","New palladium catalysed reactions of bromoporphyrins: synthesis and crystal structures of nickel(II) complexes of primary 5-aminoporphyrin, 5,5'-bis(porphyrinyl) secondary amine, and 5-hydroxyporphyrin","Chemical Communications","2006","","40","","","10.1039/b608365j","","","0.71073","MoKα","","0.0454","0.0344","","","0.0754","0.08","","","","","","0.993","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101482","10.7101","0.0014","11.3527","0.0015","15.434","0.002","77.8","0.003","87.817","0.003","76.455","0.003","1783.1","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1,8-Bis(3,3'-(3-t-butyl)-9,9'-diacridyl)naphthalene","1,8-Bis(3,3'-(3-t-butyl)-9,9'-diacridyl)naphthalene","","- C44 H38 N2 -","- C47 H45 N2 O -","- C94 H90 N4 O2 -","2","1","","Christian Wolf; Shuanglong Liu.; Brian C. Reinhardt","An enantioselective fluorescence sensing assay for quantitative analysis of chiral carboxylic acids and amino acid derivatives","Chemical Communications","2006","","40","","","10.1039/b609880k","","","0.71073","MoKα","","0.2799","0.0828","","","0.1815","0.2707","","","","","","0.907","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101483","11.6884","0.0008","16.6907","0.0011","17.7774","0.0011","105.742","0.001","95.216","0.001","107.462","0.001","3127.7","0.4","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H74 B Cl2 F4 N4 S12 V2 -","- C37 H73 B Cl2 F4 N4 S12 V2 -","- C74 H146 B2 Cl4 F8 N8 S24 V4 -","2","1","","C. Young; David J. Evans; Michelle K. Taylor","Highly-Oxidised, Sulfur-Rich, Mixed-Valence Vanadium(IV/V) Complexes","Chemical Communications","2006","","40","","","10.1039/b610036h","","","0.71073","MoKα","","0.1168","0.0729","","","0.1791","0.2086","","","","","","1.036","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101484","14.7389","0.0013","20.7238","0.0018","21.4366","0.0018","79.133","0.002","76.828","0.002","73.115","0.002","6047.8","0.9","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H148 B2 Cl4 F8 N8 S24 V4 -","- C74 H148 B2 Cl4 F8 N8 S24 V4 -","- C148 H296 B4 Cl8 F16 N16 S48 V8 -","2","1","","C. Young; David J. Evans; Michelle K. Taylor","Highly-Oxidised, Sulfur-Rich, Mixed-Valence Vanadium(IV/V) Complexes","Chemical Communications","2006","","40","","","10.1039/b610036h","","","0.71073","MoKα","","0.1386","0.0813","","","0.1991","0.226","","","","","","0.976","","","","has coordinates,has disorder","180116","2020-10-21","18:00:00",""
"7101485","15.79","0.0007","15.79","0.0007","7.013","0.0003","90","","90","","120","","1514.25","0.11","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H28 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","1","0.166667","","Ana Galet; M. Carmen Munoz; Jose A. Real","Coordination polymers undergoing spin crossover and reversible ligand exchange in the solid","Chemical Communications","2006","","41","","","10.1039/B606434E","","","0.71073","MoKα","","0.1093","0.0727","","","0.2094","0.2513","","","","","","1.109","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101486","15.673","0.0009","15.673","0.0009","6.95","0.0007","90","","90","","120","","1478.49","0.19","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H28 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","1","0.166667","","Ana Galet; M. Carmen Munoz; Jose A. Real","Coordination polymers undergoing spin crossover and reversible ligand exchange in the solid","Chemical Communications","2006","","41","","","10.1039/B606434E","","","0.71073","MoKα","","0.1841","0.0828","","","0.2033","0.2544","","","","","","1.008","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101487","8.24","0.003","14.79","0.004","14.532","0.006","112.694","0.011","95.567","0.013","97.1","0.02","1601","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Au3 Fe1.5 N12 O -","- C25 H12 Au3 Fe1.5 N12 O -","- C50 H24 Au6 Fe3 N24 O2 -","2","1","","Ana Galet; M. Carmen Munoz; Jose A. Real","Coordination polymers undergoing spin crossover and reversible ligand exchange in the solid","Chemical Communications","2006","","41","","","10.1039/B606434E","","","0.71073","MoKα","","0.1392","0.0959","","","0.2124","0.269","","","","","","1.136","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101488","7.151","0.0014","19.421","0.004","14.006","0.003","90","","102.22","0.03","90","","1901.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 Br N5 O6 -","- C20 H10 Br N5 O6 -","- C80 H40 Br4 N20 O24 -","4","1","","Sergey Kurbatov; Vladimir Minkin; Artem Tatarov; Regis Goumont; Francois Terrier","Ring Opening and Ring Closure in an Indolizine Structure Activated through SNAr Coupling with Superelectrophilic 4,6-Dinitrobenzofuroxan. An Unusual Intramolecular Oxygen Transfer from a N-Oxide Functionality.","Chemical Communications","2006","","41","","","10.1039/b608350a","","","0.71073","MoKα","","0.1274","0.048","","","0.1055","0.1263","","","","","","1.004","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101489","30.5756","0.001","30.5756","0.001","7.8321","0.0004","90","","90","","90","","7322","0.5","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H10 Br N5 O5 -","- C20 H10 Br N5 O5 -","- C320 H160 Br16 N80 O80 -","16","1","","Sergey Kurbatov; Vladimir Minkin; Artem Tatarov; Regis Goumont; Francois Terrier","Ring Opening and Ring Closure in an Indolizine Structure Activated through SNAr Coupling with Superelectrophilic 4,6-Dinitrobenzofuroxan. An Unusual Intramolecular Oxygen Transfer from a N-Oxide Functionality.","Chemical Communications","2006","","41","","","10.1039/b608350a","","","0.71073","MoKα","","0.0439","0.0329","","","0.0484","0.0502","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101490","11.1297","0.0006","13.4914","0.0007","28.0333","0.0014","90","","90","","90","","4209.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O4 -","- C21 H33 N O4 -","- C168 H264 N8 O32 -","8","2","","Goffredo Rosini; Claudia Ayoub; Valerio Borzatta; Emanuela Marotta; Andrea Mazzanti; Paolo Righi","p1,n1 Salts: Self Assembled Supramolecular Structures Sequestering Racemates","Chemical Communications","2006","","41","","","10.1039/b608405b","","","0.71073","MoKα","","0.069","0.0421","","","0.1034","0.1136","","","","","","1.03","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101491","7.3883","0.0008","10.1582","0.0011","28.935","0.003","90","","90","","90","","2171.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","crisantemico-ammina senza SMe","","","- C21 H33 N O4 -","- C21 H33 N O4 -","- C84 H132 N4 O16 -","4","1","","Goffredo Rosini; Claudia Ayoub; Valerio Borzatta; Emanuela Marotta; Andrea Mazzanti; Paolo Righi","p1,n1 Salts: Self Assembled Supramolecular Structures Sequestering Racemates","Chemical Communications","2006","","41","","","10.1039/b608405b","","","0.71073","MoKα","","0.0775","0.056","","","0.1323","0.1441","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101492","5.6144","0.0016","11.689","0.003","25.371","0.006","90","","90","","90","","1665.1","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Sean Bew; D. L. Hughes; Vladimir Savic; Katy M. Soapi; Martin A. Wilson","Stereoselective synthesis of N-alkylaziridines from N-chloroamines","Chemical Communications","2006","","41","","","10.1039/b608504k","","","0.71069","Mo-Kα","","0.0999","0.0557","","","0.1091","0.1391","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101493","11.9161","0.0018","11.8438","0.0018","15.996","0.002","90","","90","","90","","2257.5","0.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H22 Br N6 O3 Re -","- C19 H22 Br N6 O3 Re -","- C76 H88 Br4 N24 O12 Re4 -","4","0.5","","Richard S. Herrick; Tim J. Brunker; Caroline Maus; Kerianne Crandall; Anil Cetin; Christopher J. Ziegler","Aqueous preparation and physiological stability studies of Re(CO)3(tripodal) compounds","Chemical Communications","2006","","41","","","10.1039/b608683g","","","0.71073","MoKα","","0.0339","0.0277","","","0.0536","0.0554","","","","","","1.094","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101494","8.8316","0.0017","8.9876","0.0017","20.941","0.004","90","","96.909","0.003","90","","1650.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N6 O6 Re S -","- C13 H9 N6 O6 Re S -","- C52 H36 N24 O24 Re4 S4 -","4","1","","Richard S. Herrick; Tim J. Brunker; Caroline Maus; Kerianne Crandall; Anil Cetin; Christopher J. Ziegler","Aqueous preparation and physiological stability studies of Re(CO)3(tripodal) compounds","Chemical Communications","2006","","41","","","10.1039/b608683g","","","0.71073","MoKα","","0.0519","0.0399","","","0.0748","0.0785","","","","","","1.05","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101495","6.7916","0.0009","13.0578","0.0016","17.449","0.002","90","","98.273","0.002","90","","1531.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 Br N3 O4 Re -","- C9 H19 Br N3 O4 Re -","- C36 H76 Br4 N12 O16 Re4 -","4","1","","Richard S. Herrick; Tim J. Brunker; Caroline Maus; Kerianne Crandall; Anil Cetin; Christopher J. Ziegler","Aqueous preparation and physiological stability studies of Re(CO)3(tripodal) compounds","Chemical Communications","2006","","41","","","10.1039/b608683g","","","0.71073","MoKα","","0.0674","0.058","","","0.1528","0.158","","","","","","1.02","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101496","7.562","0.0004","10.2674","0.0008","16.573","0.0011","90","","90","","90","","1286.76","0.15","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Yoshinao Tamaru; Masanari Kimura; Masahiko Mori; Yushi Takahashi","Nickel Catalyzed Grob Fragmentation: ?-Dienyl Aldehydes Synthesis","Chemical Communications","2006","","41","","","10.1039/b610164j","","","0.7107","MoKα","","","0.0601","","","","0.1596","","","","","","1.009","","","","has coordinates","295947","2024-11-15","22:25:06",""
"7101497","42.5993","0.0011","42.5993","0.0011","8.5359","0.0002","90","","90","","90","","15490.1","0.7","120","2","120","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C284 H432 F N37 O36 -","- C284 H432 F N37 O36 -","- C568 H864 F2 N74 O72 -","2","0.25","","Philip Gale","Anion-binding modes in a macrocyclic amidourea","Chemical Communications","2006","","41","","","10.1039/b610938a","","","0.71073","MoKα","","0.2726","0.1722","","","0.4091","0.4582","","","","","","1.298","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101498","16.9307","0.0016","10.149","0.0006","23.89","0.002","90","","102.098","0.003","90","","4013.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46.5 N8 O10.25 -","- C40 H46.5 N8 O10.25 -","- C160 H186 N32 O41 -","4","1","","Philip Gale","Anion-binding modes in a macrocyclic amidourea","Chemical Communications","2006","","41","","","10.1039/b610938a","","","0.71073","MoKα","","0.161","0.1036","","","0.2042","0.2312","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101499","8.8554","0.0014","8.8554","0.0014","3.0336","0.0007","90","","90","","120","","206.02","0.07","293","2","293","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- B2 Os1.42 Ru Ti1.58 -","- B2 Os1.419 Ru Ti1.581 -","- B6 Os4.257 Ru3 Ti4.743 -","3","0.25","","B.P.Fokwa T.; J.von Appen; R.Dronskowski","Synthesis of a missing structural link: The first trigonal planar B4 units in the novel complex boride Ti1+xOs2_xRuB2 (x = 0.6)","Chemical Communications","2006","","42","","","10.1039/b608903h","","","0.71073","MoKα","","0.0402","0.037","","","0.0754","0.0767","","","","","","1.048","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7101500","17.491","0.001","8.917","0.001","12.056","0.001","90","","94.851","0.001","90","","1873.6","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O6 -","- C18 H23 N3 O6 -","- C72 H92 N12 O24 -","4","1","","Myriem El Qacemi; Louis Ricard; Samir Z. Zard","An Unprecedented Radical Ring Closure on a Pyridine Nitrogen","Chemical Communications","2006","","42","","","10.1039/b609021d","","","0.71069","MoKα","","0.0573","0.0391","","","0.106","0.1166","","","","","","1.048","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101501","13.8977","0.0007","20.4138","0.001","20.8782","0.001","89.765","0.002","75.475","0.002","75.352","0.002","5536.4","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C113.5 H97 Au5 Cl O6 P6 Pt3 -","- C113.5 H97 Au5 Cl O6 P6 Pt3 -","- C227 H194 Au10 Cl2 O12 P12 Pt6 -","2","1","","Lawrence Dahl; N.de Silva; Jeffrey W. Laufenberg","Structural/bonding insights from new geometrical varieties of two Pt-Au carbonyl/phosphine clusters, [Pt3(AuPPh3)5(?2-CO)2L3]+ (L3 = (CO)2PPh3) and [(?6-Au){Pt3(?2-CO)3L4} 2]+ (L = PMe3)","Chemical Communications","2006","","42","","","10.1039/b609380a","","","0.71073","MoKα","","0.073","0.0516","","","0.1373","0.1563","","","","","","0.993","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101502","11.4443","0.0011","11.728","0.0012","13.1419","0.0013","68.521","0.002","73.391","0.002","64.811","0.001","1467.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H76 Au Cl5 Ni0 O6 P8 Pt6 -","- C32 H76 Au Cl5 O6 P8 Pt6 -","- C32 H76 Au Cl5 O6 P8 Pt6 -","1","0.5","","Lawrence Dahl; N.de Silva; Jeffrey W. Laufenberg","Structural/bonding insights from new geometrical varieties of two Pt-Au carbonyl/phosphine clusters, [Pt3(AuPPh3)5(?2-CO)2L3]+ (L3 = (CO)2PPh3) and [(?6-Au){Pt3(?2-CO)3L4} 2]+ (L = PMe3)","Chemical Communications","2006","","42","","","10.1039/b609380a","","","0.71073","MoKα","","0.0372","0.0339","","","0.0888","0.0944","","","","","","1.079","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7101503","9.973","0.005","12.38","0.03","14.08","0.03","112.72","0.13","91.375","0.009","98.2","0.04","1581","5","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 Cl Cu N6 O6.5 -","- C29 H36 Cl Cu N6 O6.5 -","- C58 H72 Cl2 Cu2 N12 O13 -","2","1","","Tatsuya Fujii; Syuhei Yamaguchi; Yasuhiro Funahashi; Tomohiro Ozawa; Takehiko Tosha; Teizo Kitagawa; Hideki Masuda","Mononuclear copper(II)–hydroperoxo complex derived from reaction of copper(I) complex with dioxygen as a model of DβM and PHM","Chemical Communications","2006","","42","","","10.1039/b609673e","","","0.7107","MoKα","","","0.0597","","","","0.1775","","","","","","1.001","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7101504","17.6443","0.0014","21.5365","0.0017","24.3009","0.0019","73.616","0.001","75.764","0.001","88.215","0.001","8580","1.2","153","2","153","2","","","","","","","","10","P -1","-P 1","2","","","","- C162.5 H142 B4 Cl6 F16 N4 O4 P8 Rh4 S4 -","- C162.5 H142 B4 Cl6 F16 N4 O4 P8 Rh4 S4 -","- C325 H284 B8 Cl12 F32 N8 O8 P16 Rh8 S8 -","2","1","","Chad Mirkin; Aaron M. Brown; Maxim V. Ovchinnikov; Charlotte L. Stern","Tetrametallic Rectangular Box Complexes Assembled from Heteroligated Macrocycles","Chemical Communications","2006","","42","","","10.1039/b609931a","","","0.71073","MoKα","","0.1391","0.0987","","","0.2883","0.326","","","","","","1.192","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101505","9.0629","0.0006","19.8629","0.0013","11.3182","0.0007","90","","106.862","0.001","90","","1949.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N7 O -","- C21 H21 N7 O -","- C84 H84 N28 O4 -","4","1","","Martin, Alisha M.; Butler, Roslyn S.; Ghiviriga, Ion; Giessert, Rachel E.; Abboud, Khalil A.; Castellano, Ronald K.","Self-complementary purines by quadruple hydrogen bonding","Chemical Communications (Cambridge, United Kingdom)","2006","","42","4413","4415","10.1039/b610239e","","","0.71073","MoKα","","0.0572","0.0374","","","0.0966","0.1038","","","","","","1.063","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101506","46.536","0.002","27.0974","0.0013","37.7805","0.0018","90","","101.487","0.001","90","","46687","4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C125.96 H144 Mn0.64 N47.38 O66.58 Pd6 -","- C125.967 H144 Mn0.643 N47.378 O66.579 Pd6 -","- C1007.73 H1152 Mn5.144 N379.024 O532.632 Pd48 -","8","1","","Yasuhiro Kobayashi; Masaki Kawano; Makoto Fujita","Networking a Hollow Cage via Guest Coordination","Chemical Communications","2006","","42","","","10.1039/b612562j","","","0.71073","MoKα","","0.301","0.1374","","","0.3803","0.4454","","","","","","1.154","","","","has coordinates,has disorder","180117","2020-10-21","18:00:00",""
"7101507","46.512","0.012","27.256","0.007","37.602","0.01","90","","101.57","0.02","90","","46701","21","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C133.64 H156 Co0.67 Mn0.81 N47.77 O65.35 Pd6 -","- C133.648 H156 Co0.672 Mn0.81 N47.772 O65.362 Pd6 -","- C1069.18 H1248 Co5.376 Mn6.48 N382.176 O522.896 Pd48 -","8","1","","Yasuhiro Kobayashi; Masaki Kawano; Makoto Fujita","Networking a Hollow Cage via Guest Coordination","Chemical Communications","2006","","42","","","10.1039/b612562j","","","0.71073","MoKα","","0.3248","0.1647","","","0.3933","0.4734","","","","","","1.212","","","","has coordinates,has disorder","180117","2020-10-21","18:00:00",""
"7101508","24.817","0.007","24.848","0.01","24.935","0.006","64.503","0.018","65.157","0.018","60.19","0.02","11617","6","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C131.8 H144 Mn N41.5 O35.05 Pd6 -","- C131.8 H144 Mn N41.5 O35.05 Pd6 -","- C263.6 H288 Mn2 N83 O70.1 Pd12 -","2","1","","Yasuhiro Kobayashi; Masaki Kawano; Makoto Fujita","Networking a Hollow Cage via Guest Coordination","Chemical Communications","2006","","42","","","10.1039/b612562j","","","0.71073","MoKα","","0.4879","0.1712","","","0.4301","0.5531","","","","","","1.026","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101509","26.0844","0.0016","26.0844","0.0016","31.49","0.003","90","","90","","90","","21426","3","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C135 H144 Mn N47.54 O86.54 Pd6 -","- C134.8 H144 Mn N47.54 O86.54 Pd6 -","- C539.2 H576 Mn4 N190.16 O346.16 Pd24 -","4","0.25","","Yasuhiro Kobayashi; Masaki Kawano; Makoto Fujita","Networking a Hollow Cage via Guest Coordination","Chemical Communications","2006","","42","","","10.1039/b612562j","","","0.71073","MoKα","","0.0879","0.0643","","","0.1784","0.2078","","","","","","1.08","","","","has coordinates,has disorder","180117","2020-10-21","18:00:00",""
"7101510","12.4914","0.0002","13.0026","0.0003","14.8379","0.0005","89.426","0.001","88.093","0.001","61.536","0.001","2117.44","0.09","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H47 Cl6 N6 O2 V -","- C40 H47 Cl6 N6 O2 V -","- C80 H94 Cl12 N12 O4 V2 -","2","1","","Jonathan L. Sessler; Vincent Lynch; Elisa Tomat","Coordination of oxovanadium(V) in an expanded porphyrin macrocycle","Chemical Communications","2006","","43","","","10.1039/b608143f","","","0.71073","MoKα","","0.248","0.0703","","","0.1106","0.1355","","","","","","1.122","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101511","18.9552","0.0019","6.7285","0.0007","24.535","0.003","90","","94.816","0.002","90","","3118.2","0.6","298","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 Mn2 N4 Na O19 -","- C20 H38 Mn2 N4 Na O19 -","- C80 H152 Mn8 N16 Na4 O76 -","4","0.5","","Lionel Dubois; Lilian Jacquamet; Jacques Pecaut; Jean-Marc Latour","X-ray photoreduction of a di(μ-oxo)MnIIIMnIV complex occurs at temperatures as low as 20 K","Chemical Communications","2006","","43","","","10.1039/b609072a","","","0.71073","MoKα","","0.0966","0.0803","","","0.2136","0.2242","","","","","","1.167","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101512","10.6134","0.0009","14.8459","0.0016","12.0432","0.001","90","","91.267","0.01","90","","1897.1","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 Br I N3 O Pd S -","- C14 H21 Br I N3 O Pd S -","- C56 H84 Br4 I4 N12 O4 Pd4 S4 -","4","1","","Evelyne Kluser; Antonia Neels; Martin Albrecht","Mild and rational synthesis of palladium complexes comprising C(4)-bound N-heterocyclic carbenes","Chemical Communications","2006","","43","","","10.1039/b611212a","","","0.71073","MoKα","","0.0722","0.0418","","","0.1133","0.1252","","","","","","0.912","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101513","8.0966","0.0006","18.9835","0.0015","9.5427","0.0007","90","","101.518","0.001","90","","1437.19","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","P2Iodocage","","","- C20 H30 Ga I5 P2 -","- C20 H30 Ga I5 P2 -","- C40 H60 Ga2 I10 P4 -","2","1","","Oliver C. Presly; Michael Green; John C. Jeffery; Eva Leiner; Martin Murray; Christopher A. Russell; Manfred Scheer; Ulf Vogel","The surprising and stereoselective formation of P2C10 cages by the reduction of Cp*PCl2","Chemical Communications","2006","","43","","","10.1039/b611484a","","","0.71073","MoKα","","0.0889","0.0637","","","0.1663","0.1836","","","","","","1.049","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101514","12.7865","0.0012","12.8135","0.0017","15.619","0.0019","90","","90","","90","","2559","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","P2Chlorocage","","","- C20 H30 Cl5 In P2 -","- C20 H30 Cl5 In P2 -","- C80 H120 Cl20 In4 P8 -","4","1","","Oliver C. Presly; Michael Green; John C. Jeffery; Eva Leiner; Martin Murray; Christopher A. Russell; Manfred Scheer; Ulf Vogel","The surprising and stereoselective formation of P2C10 cages by the reduction of Cp*PCl2","Chemical Communications","2006","","43","","","10.1039/b611484a","","","1.54178","CuKα","","0.0363","0.0357","","","0.0936","0.0942","","","","","","1.037","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101515","12.861","0.003","10.475","0.002","17.101","0.003","90","","101.54","0.03","90","","2257.2","0.8","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl3 Ga P2 -","- C20 H30 Cl3 Ga P2 -","- C80 H120 Cl12 Ga4 P8 -","4","1","","Oliver C. Presly; Michael Green; John C. Jeffery; Eva Leiner; Martin Murray; Christopher A. Russell; Manfred Scheer; Ulf Vogel","The surprising and stereoselective formation of P2C10 cages by the reduction of Cp*PCl2","Chemical Communications","2006","","43","","","10.1039/b611484a","","","0.71073","MoKα","","0.0365","0.0294","","","0.0737","0.076","","","","","","0.966","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101516","6.126","0.003","9.05","0.004","32.991","0.011","90","","90","","90","","1829","1.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O S -","- C22 H19 N O S -","- C88 H76 N4 O4 S4 -","4","1","","Masami Sakamoto; Tsutomu Fujita; Yoshio Kasashima; Hiroya Kawanishi; Takashi Mino","Photochemical asymmetric synthesis of quartenary chiral carbons using chiral-memory effect on beta-hydrogen abstraction by thiocarbonyl group","Chemical Communications","2006","","44","","","10.1039/b608513j","","","1.54178","CuKα","","0.0544","0.044","","","0.1187","0.1392","","","","","","0.67","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101517","7.7525","0.0008","12.0713","0.0013","9.9335","0.001","90","","97.914","0.001","90","","920.75","0.17","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","","Masami Sakamoto; Tsutomu Fujita; Yoshio Kasashima; Hiroya Kawanishi; Takashi Mino","Photochemical asymmetric synthesis of quartenary chiral carbons using chiral-memory effect on beta-hydrogen abstraction by thiocarbonyl group","Chemical Communications","2006","","44","","","10.1039/b608513j","","","0.71073","MoKα","","0.0306","0.0286","","","0.0759","0.0801","","","","","","0.494","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101518","9.857","0.003","11.082","0.003","17.126","0.005","90","","90","","90","","1870.8","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O S -","- C22 H18 N O S -","- C88 H72 N4 O4 S4 -","4","1","","Masami Sakamoto; Tsutomu Fujita; Yoshio Kasashima; Hiroya Kawanishi; Takashi Mino","Photochemical asymmetric synthesis of quartenary chiral carbons using chiral-memory effect on beta-hydrogen abstraction by thiocarbonyl group","Chemical Communications","2006","","44","","","10.1039/b608513j","","","1.54178","CuKα","","0.0615","0.0612","","","0.1447","0.1456","","","","","","0.75","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101519","9.7025","0.0007","9.9727","0.0007","20.1303","0.0015","90","","90","","90","","1947.8","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O S -","- C23 H21 N O S -","- C92 H84 N4 O4 S4 -","4","1","","Masami Sakamoto; Tsutomu Fujita; Yoshio Kasashima; Hiroya Kawanishi; Takashi Mino","Photochemical asymmetric synthesis of quartenary chiral carbons using chiral-memory effect on beta-hydrogen abstraction by thiocarbonyl group","Chemical Communications","2006","","44","","","10.1039/b608513j","","","0.71073","MoKα","","0.0437","0.0372","","","0.0534","0.0541","","","","","","2.209","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101520","9.6375","0.0005","10.0167","0.0005","20.0523","0.001","90","","90","","90","","1935.77","0.17","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Cl N O S -","- C22 H18 Cl N O S -","- C88 H72 Cl4 N4 O4 S4 -","4","1","","Masami Sakamoto; Tsutomu Fujita; Yoshio Kasashima; Hiroya Kawanishi; Takashi Mino","Photochemical asymmetric synthesis of quartenary chiral carbons using chiral-memory effect on beta-hydrogen abstraction by thiocarbonyl group","Chemical Communications","2006","","44","","","10.1039/b608513j","","","0.71073","MoKα","","0.0369","0.0346","","","0.0746","0.0752","","","","","","2.206","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101521","8.9464","0.0008","10.8282","0.001","16.5375","0.0014","97.126","0.007","96.983","0.007","103.171","0.008","1529.1","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H84 Co2 Cu2 Fe2 N10 O20 S4 -","- C35 H84 Co2 Cu2 Fe2 N10 O20 S4 -","- C35 H84 Co2 Cu2 Fe2 N10 O20 S4 -","1","0.5","","Nesterov, Dmytro S.; Kokozay, Volodymyr N.; Dyakonenko, Viktoriya V.; Shishkin, Oleg V.; Jezierska, Julia; Ozarowski, Andrew; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.","An unprecedented heterotrimetallic Fe/Cu/Co core for mild and highly efficient catalytic oxidation of cycloalkanes by hydrogen peroxide","Chemical Communications (Cambridge, United Kingdom)","2006","","44","4605","4607","10.1039/b608790f","","","0.71073","MoKα","","0.0919","0.0523","","","0.1356","0.1464","","","","","","1.029","","","","has coordinates,has disorder","288001","2023-12-04","15:53:23",""
"7101522","20.996","0.002","11.6667","0.0011","24.063","0.002","90","","114.499","0.002","90","","5363.8","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 N6 Rh -","- C30 H33 N6 Rh -","- C240 H264 N48 Rh8 -","8","2","","Garrison, Jered C.; Panzner, Matthew J.; Custer, Paul D.; Reddy, D. Venkat; Rinaldi, Peter L.; Tessier, Claire A.; Youngs, Wiley J.","Synthesis and characterization of a trigonal bipyramidal supramolecular cage based upon rhodium and platinum metal centers","Chemical Communications (Cambridge, United Kingdom)","2006","","44","4644","4646","10.1039/b608991g","","","0.71073","MoKα","","0.0753","0.0668","","","0.1297","0.1333","","","","","","1.242","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101523","19.541","0.003","22.799","0.003","23.89","0.003","90","","103.095","0.002","90","","10366","2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C138 H210 N12 P6 Pt3 Rh2 -","- C138 H210 N12 P6 Pt3 Rh2 -","- C276 H420 N24 P12 Pt6 Rh4 -","2","0.5","","Garrison, Jered C.; Panzner, Matthew J.; Custer, Paul D.; Reddy, D. Venkat; Rinaldi, Peter L.; Tessier, Claire A.; Youngs, Wiley J.","Synthesis and characterization of a trigonal bipyramidal supramolecular cage based upon rhodium and platinum metal centers","Chemical Communications (Cambridge, United Kingdom)","2006","","44","4644","4646","10.1039/b608991g","","","0.71073","MoKα","","0.1375","0.076","","","0.1775","0.1978","","","","","","0.823","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101524","7.615","0.0009","13.9","0.0017","23.912","0.003","90","","90","","90","","2531","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 O4 Si -","- C24 H44 O4 Si -","- C96 H176 O16 Si4 -","4","1","","Alexander, Matthew D.; Fontaine, Shaun D.; La Clair, James J.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Burkart, Michael D.","Synthesis of the mycolactone core by ring-closing metathesis","Chemical Communications (Cambridge, United Kingdom)","2006","","44","4602","4604","10.1039/b609408b","","","0.71073","MoKα","","0.0658","0.0604","","","0.1021","0.1037","","","","","","1.23","","","","has coordinates","270069","2021-10-23","18:09:51",""
"7101525","12.935","0.004","14.355","0.006","15.946","0.006","94.668","0.008","109.913","0.009","109.878","0.009","2552.1","1.7","80","","80","","","","","","","","","6","P -1","-P 1","2","(bis(4-cyanopyridine)(2,8,12,18-tetrabutyl-3,7,13,17- tetramethyl-5,15-diazaporphyrinate-κ^4^N))iron(III)perchlorate dichloromethane solvate","[bis(4-cyanopyridine)(2,8,12,18-tetrabutyl- 3,7,13,17-tetramethyl- 5,15-diazaporphyrinate-κ^4^N)]iron(III)perchlorate dichloromethane solvate","","- C51 H60 Cl3 Fe N10 O4 -","- C51 H60 Cl3 Fe N10 O4 -","- C102 H120 Cl6 Fe2 N20 O8 -","2","1","","Yoshiki Ohgo; Saburo Neya; Hidehiro Uekusa; Mikio Nakamura","An Isocyanide Probe for Heme Electronic Structure: Bis(tert-butyIisocyanide) Complex of Diazaporphyrin Showing a Unique (dxy)2(dxz dyz)3 Ground State","Chemical Communications","2006","","44","","","10.1039/b609910f","","","0.71073","MoKα","","0.0886","0.0758","","","0.2436","0.2634","","","","","","1.057","","","","has coordinates","295961","2024-11-16","02:09:29",""
"7101526","17.2816","0.0004","20.3272","0.0008","20.7318","0.0009","107.113","0.001","100.243","0.002","113.611","0.002","6003.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H164 Cl8 N6 O8 Pd -","- C122 H164 Cl8 N6 O8 Pd -","- C244 H328 Cl16 N12 O16 Pd2 -","2","1","","Barry A. Blight; James A. Wisner; M.C.Jennings","Synthesis of a [2]Rotaxane Through First- and Second-Sphere Coordiantion","Chemical Communications","2006","","44","","","10.1039/b610243c","","","0.71073","MoKα","","0.1015","0.0641","","","0.165","0.1887","","","","","","1.024","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7101527","8.317","0.003","11.425","0.004","15.518","0.005","106.441","0.005","104.475","0.006","94.316","0.006","1352.3","0.8","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H56 N2 O4 S2 -","- C66 H56 N2 O4 S2 -","- C66 H56 N2 O4 S2 -","1","0.5","","Zhaohui Wang; Caiming Liu; Hualei Qian","S-heterocyclic annelated perylene bisimide:synthesis and co-crystal with pyrene","Chemical Communications","2006","","44","","","10.1039/b610765f","","","0.71073","MoKα","","0.1418","0.0557","","","0.1229","0.1657","","","","","","1.007","","","","has coordinates,has disorder","180117","2020-10-21","18:00:00",""
"7101528","8.264","0.002","11.438","0.003","15.204","0.004","101.119","0.004","100.521","0.004","91.278","0.004","1383.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.5 H31 N O2 S -","- C34.5 H31 N O2 S -","- C69 H62 N2 O4 S2 -","2","1","","Zhaohui Wang; Caiming Liu; Hualei Qian","S-heterocyclic annelated perylene bisimide:synthesis and co-crystal with pyrene","Chemical Communications","2006","","44","","","10.1039/b610765f","","","0.71073","MoKα","","0.0634","0.0499","","","0.1396","0.1537","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101529","10.435","0.002","17.055","0.003","20.962","0.004","108.74","0.003","101.183","0.003","94.073","0.002","3430.1","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H64 Cl6 N2 O4 S2 -","- C83 H64 Cl6 N2 O4 S2 -","- C166 H128 Cl12 N4 O8 S4 -","2","1","","Zhaohui Wang; Caiming Liu; Hualei Qian","S-heterocyclic annelated perylene bisimide:synthesis and co-crystal with pyrene","Chemical Communications","2006","","44","","","10.1039/b610765f","","","0.7107","MoKα","","0.0707","0.0522","","","0.1351","0.1507","","","","","","1.065","","","","has coordinates,has disorder","180117","2020-10-21","18:00:00",""
"7101530","13.313","0.005","13.411","0.005","14.405","0.005","80.288","0.005","76.135","0.005","84.352","0.005","2456.6","1.6","120","2","120","2","","","","","","","Suad Rashdan","5","P -1","-P 1","2","","","","- C39 H54 N9 O23 P5 -","- C39 H54 N9 O23 P5 -","- C78 H108 N18 O46 P10 -","2","1","","Suad Rashdan; Mark E. Light; Jeremy D. Kilburn","Pyridyl thioureas as switchable anion receptors","Chemical Communications","2006","","44","","","10.1039/b611138f","","","0.71069","MoKα","","0.3281","0.086","","","0.1338","0.2023","","","","","","0.914","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101531","9.269","0.0006","22.1","0.0015","7.1372","0.0003","90","","97.363","0.004","90","","1449.96","0.15","120","2","120","2","","","","","","","Suad Rashdan","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 B F4 N3 O S -","- C12 H14 B F4 N3 O S -","- C48 H56 B4 F16 N12 O4 S4 -","4","1","","Suad Rashdan; Mark E. Light; Jeremy D. Kilburn","Pyridyl thioureas as switchable anion receptors","Chemical Communications","2006","","44","","","10.1039/b611138f","","","0.71073","MoKα","","0.0999","0.0537","","","0.1167","0.136","","","","","","0.992","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101532","5.2405","0.0001","16.2008","0.0004","17.6222","0.0005","90","","90","","90","","1496.13","0.06","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 F3 N3 O2 S -","- C14 H12 F3 N3 O2 S -","- C56 H48 F12 N12 O8 S4 -","4","1","","Suad Rashdan; Mark E. Light; Jeremy D. Kilburn","Pyridyl thioureas as switchable anion receptors","Chemical Communications","2006","","44","","","10.1039/b611138f","","","0.71073","MoKα","","0.0464","0.0377","","","0.0936","0.0987","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101533","8.4611","0.0017","20.509","0.004","11.757","0.002","90","","104.453","0.007","90","","1975.6","0.7","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Complex 5","","","- C22 H15 Cr N3 O3 S -","- C22 H15 Cr N3 O3 S -","- C88 H60 Cr4 N12 O12 S4 -","4","1","","Ang, Chwee Ying; Boeré, René T.; Goh, Lai Yoong; Koh, Lip Lin; Kuan, Seah Ling; Tan, Geok Kheng; Yu, Xin","η^1^ and η^2^ complexes of λ^3^-1,2,4,6-thiatriazinyls with CpCr(CO)~x~","Chemical Communications (Cambridge, United Kingdom)","2006","","45","4735","4737","10.1039/b610089a","","","0.71073","MoKα","","0.0882","0.0677","","","0.1439","0.1525","","","","","","1.158","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101534","8.0929","0.0008","10.316","0.001","11.2405","0.0011","70.032","0.002","72.076","0.002","82.375","0.002","838.81","0.14","223","2","223","2","","","","","","","","7","P -1","-P 1","2","Complex 10","","","- C16 H10 Cr F3 N3 O2 S -","- C16 H10 Cr F3 N3 O2 S -","- C32 H20 Cr2 F6 N6 O4 S2 -","2","1","","Ang, Chwee Ying; Boeré, René T.; Goh, Lai Yoong; Koh, Lip Lin; Kuan, Seah Ling; Tan, Geok Kheng; Yu, Xin","η^1^ and η^2^ complexes of λ^3^-1,2,4,6-thiatriazinyls with CpCr(CO)~x~","Chemical Communications (Cambridge, United Kingdom)","2006","","45","4735","4737","10.1039/b610089a","","","0.71073","MoKα","","0.0865","0.0663","","","0.1454","0.156","","","","","","1.146","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101535","76.294","0.006","18.2792","0.0011","19.1459","0.001","90","","94.152","0.007","90","","26631","3","203","2","203","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","(Ru6(p-PriC6H4Me)6(tpt)2Cl6)(O3SCF3)6","[Ru6(p-PriC6H4Me)6(tpt)2Cl6][O3SCF3]6","","- C105 H114 Cl6 F18 N12 O19 Ru6 S6 -","- C105 H114 Cl6 F18 N12 O19 Ru6 S6 -","- C840 H912 Cl48 F144 N96 O152 Ru48 S48 -","8","1","","P.Govindaswamy; D.Linder; J.Lacour; G.Suss-Fink; B.Therrien","Self-assembled hexanuclear arene ruthenium metallo-prisms with unexpected double helical chirality","Chemical Communications","2006","","45","","","10.1039/b610155k","","","0.71073","MoKα","","0.1619","0.1144","","","0.3127","0.3369","","","","","","1.334","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101536","23.8695","0.0014","17.233","0.0008","35.282","0.002","90","","93.499","0.007","90","","14485.9","1.4","203","2","203","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","(Ru6(C6Me6)6(tpt)2Cl6)(O3SCF3)6","[Ru6(C6Me6)6(tpt)2Cl6][O3SCF3]6","","- C114 H132 Cl6 F18 N12 O18 Ru6 S6 -","- C114 H132 Cl6 F18 N12 O18 Ru6 S6 -","- C456 H528 Cl24 F72 N48 O72 Ru24 S24 -","4","1","","P.Govindaswamy; D.Linder; J.Lacour; G.Suss-Fink; B.Therrien","Self-assembled hexanuclear arene ruthenium metallo-prisms with unexpected double helical chirality","Chemical Communications","2006","","45","","","10.1039/b610155k","","","0.71073","MoKα","","0.155","0.0866","","","0.2393","0.2701","","","","","","0.924","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101537","18.1","0.003","18.1","0.003","25.705","0.005","90","","90","","120","","7293","2","173","2","173","2","","","","","","","","7","P 3 c 1","P 3 -2""c","158","","","","- C108 H108 F18 N12 O30 Ru6 S6 -","- C108 H108 F18 N12 O30 Ru6 S6 -","- C216 H216 F36 N24 O60 Ru12 S12 -","2","0.333333","","P.Govindaswamy; D.Linder; J.Lacour; G.Suss-Fink; B.Therrien","Self-assembled hexanuclear arene ruthenium metallo-prisms with unexpected double helical chirality","Chemical Communications","2006","","45","","","10.1039/b610155k","","","0.71073","MoKα","","0.121","0.0647","","","0.1505","0.1713","","","","","","0.831","","","","has coordinates","201926","2020-10-21","18:00:00",""
"7101538","27.333","0.005","19.941","0.004","28.163","0.006","90","","99.68","0.03","90","","15132","5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120 H132 F18 N12 O30 Ru6 S6 -","- C114 H132 N12 O12 Ru6 -","- C456 H528 N48 O48 Ru24 -","4","0.5","","P.Govindaswamy; D.Linder; J.Lacour; G.Suss-Fink; B.Therrien","Self-assembled hexanuclear arene ruthenium metallo-prisms with unexpected double helical chirality","Chemical Communications","2006","","45","","","10.1039/b610155k","","","0.71073","MoKα","","0.0598","0.0525","","","0.1503","0.1568","","","","","","1.038","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101539","8.6257","0.0007","10.4624","0.0007","13.8439","0.001","90","","101.284","0.003","90","","1225.2","0.16","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 Cd N2 O11.5 S Tb -","- C5 H7 Cd N2 O11.5 S Tb -","- C20 H28 Cd4 N8 O46 S4 Tb4 -","4","1","","Guo-Yu Yang; Yan-Qiong Sun; Jie Zhang","A Series of Luminescent Lanthanide-Cadmium-Organic Frameworks with Helical Channels and Tubes","Chemical Communications","2006","","45","","","10.1039/b610892j","","","0.71073","MoKα","","0.0216","0.0203","","","0.0481","0.0487","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101540","8.6305","0.0001","10.3517","0.0002","13.9069","0.0001","90","","101.688","0.001","90","","1216.69","0.03","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 Cd Eu N2 O11.5 S -","- C5 H7 Cd Eu N2 O11.5 S -","- C20 H28 Cd4 Eu4 N8 O46 S4 -","4","1","","Guo-Yu Yang; Yan-Qiong Sun; Jie Zhang","A Series of Luminescent Lanthanide-Cadmium-Organic Frameworks with Helical Channels and Tubes","Chemical Communications","2006","","45","","","10.1039/b610892j","","","0.71073","MoKα","","0.0333","0.0322","","","0.0802","0.0809","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101541","8.6178","0.0002","10.4366","0.0002","13.8568","0.0002","90","","101.32","0.001","90","","1222.04","0.04","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 Cd Dy N2 O11.5 S -","- C5 H7 Cd Dy N2 O11.5 S -","- C20 H28 Cd4 Dy4 N8 O46 S4 -","4","1","","Guo-Yu Yang; Yan-Qiong Sun; Jie Zhang","A Series of Luminescent Lanthanide-Cadmium-Organic Frameworks with Helical Channels and Tubes","Chemical Communications","2006","","45","","","10.1039/b610892j","","","0.71073","MoKα","","0.023","0.0218","","","0.0539","0.0546","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101542","8.6194","0.0006","10.4858","0.0006","13.8468","0.0011","90","","101.168","0.004","90","","1227.79","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 Cd Gd N2 O11.5 S -","- C5 H7 Cd Gd N2 O11.5 S -","- C20 H28 Cd4 Gd4 N8 O46 S4 -","4","1","","Guo-Yu Yang; Yan-Qiong Sun; Jie Zhang","A Series of Luminescent Lanthanide-Cadmium-Organic Frameworks with Helical Channels and Tubes","Chemical Communications","2006","","45","","","10.1039/b610892j","","","0.71073","MoKα","","0.0261","0.0236","","","0.0547","0.056","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101543","8.6197","0.0006","10.3244","0.0005","13.8885","0.0009","90","","101.714","0.002","90","","1210.24","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 Cd Er N2 O11.5 S -","- C5 H7 Cd Er N2 O11.5 S -","- C20 H28 Cd4 Er4 N8 O46 S4 -","4","1","","Guo-Yu Yang; Yan-Qiong Sun; Jie Zhang","A Series of Luminescent Lanthanide-Cadmium-Organic Frameworks with Helical Channels and Tubes","Chemical Communications","2006","","45","","","10.1039/b610892j","","","0.71073","MoKα","","0.0328","0.0308","","","0.0795","0.081","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101544","8.6388","0.0001","10.2591","0.0002","13.9386","0.0003","90","","101.991","0.001","90","","1208.37","0.04","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 Cd N2 O11.5 S Yb -","- C5 H Cd N2 O11.5 S Yb -","- C20 H4 Cd4 N8 O46 S4 Yb4 -","4","1","","Guo-Yu Yang; Yan-Qiong Sun; Jie Zhang","A Series of Luminescent Lanthanide-Cadmium-Organic Frameworks with Helical Channels and Tubes","Chemical Communications","2006","","45","","","10.1039/b610892j","","","0.71073","MoKα","","0.0251","0.024","","","0.0597","0.0605","","","","","","1.124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101545","8.6115","0.0006","10.3674","0.0007","13.8626","0.0013","90","","101.547","0.004","90","","1212.59","0.16","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 Cd N2 O11.5 S Y -","- C5 H7 Cd N2 O11.5 S Y -","- C20 H28 Cd4 N8 O46 S4 Y4 -","4","1","","Guo-Yu Yang; Yan-Qiong Sun; Jie Zhang","A Series of Luminescent Lanthanide-Cadmium-Organic Frameworks with Helical Channels and Tubes","Chemical Communications","2006","","45","","","10.1039/b610892j","","","0.71073","MoKα","","0.0296","0.026","","","0.0605","0.0617","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101546","8.712","0.0001","10.5288","0.0002","13.9024","0.0003","90","","101.033","0.001","90","","1251.65","0.04","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 Cd N2 Nd O11.5 S -","- C5 H7 Cd N2 Nd O11.5 S -","- C20 H28 Cd4 N8 Nd4 O46 S4 -","4","1","","Guo-Yu Yang; Yan-Qiong Sun; Jie Zhang","A Series of Luminescent Lanthanide-Cadmium-Organic Frameworks with Helical Channels and Tubes","Chemical Communications","2006","","45","","","10.1039/b610892j","","","0.71073","MoKα","","0.0247","0.0232","","","0.0559","0.0568","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101547","8.7538","0.0001","10.5445","0.0002","13.9138","0.0003","90","","101.01","0.001","90","","1260.67","0.04","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 Cd N2 O11.5 Pr S -","- C5 H7 Cd N2 O11.5 Pr S -","- C20 H28 Cd4 N8 O46 Pr4 S4 -","4","1","","Guo-Yu Yang; Yan-Qiong Sun; Jie Zhang","A Series of Luminescent Lanthanide-Cadmium-Organic Frameworks with Helical Channels and Tubes","Chemical Communications","2006","","45","","","10.1039/b610892j","","","0.71073","MoKα","","0.0444","0.0364","","","0.0746","0.0775","","","","","","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101548","11.1442","0.0011","15.847","0.0016","17.7174","0.0017","86.286","0.002","88.553","0.002","86.249","0.002","3115","0.5","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H75 F3 O21 Rh2 -","- C60 H75 F3 O21 Rh2 -","- C120 H150 F6 O42 Rh4 -","2","1","","J.Du Bois; B.H.Brodsky","Entrapment of a Dirhodium Tetracarboxylate Unit Inside the Aromatic Bowl of a Calix[4]arene: Unique Catalysts for C-H Amination","Chemical Communications","2006","","45","","","10.1039/b611280c","","","0.71073","MoKα","","0.0955","0.0526","","","0.1201","0.137","","","","","","0.956","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7101549","20.989","0.003","19.577","0.003","29.775","0.004","90","","90","","90","","12235","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H76 O22 Rh2 -","- C60 H76 O22 Rh2 -","- C480 H608 O176 Rh16 -","8","1","","J.Du Bois; B.H.Brodsky","Entrapment of a Dirhodium Tetracarboxylate Unit Inside the Aromatic Bowl of a Calix[4]arene: Unique Catalysts for C-H Amination","Chemical Communications","2006","","45","","","10.1039/b611280c","","","0.71073","MoKα","","0.1255","0.0903","","","0.1882","0.2045","","","","","","1.26","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101550","35.3431","0.0008","16.0453","0.0006","21.7368","0.0007","90","","127.27","0.002","90","","9809.5","0.5","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H63 Cl N8 O3 Pd -","- C45 H42 Cl N7 O2 Pd -","- C360 H336 Cl8 N56 O16 Pd8 -","8","1","","J.L.Sessler; E.Katayev; V.Lynch; Y.Ustynyuk","Mono-palladium(II) complexes of diamidopyridine-dipyrromethane hybrid macrocycles.","Chemical Communications","2006","","45","","","10.1039/B611946H","","","0.71073","MoKα","","0.1563","0.0687","","","0.1419","0.1578","","","","","","1.045","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101551","10.3506","0.0004","15.7321","0.0005","15.8708","0.0006","60.823","0.002","87.392","0.002","86.802","0.002","2252.43","0.14","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.57 H46.24 Cl3.24 N7 O2 Pd -","- C46.62 H46.24 Cl3.24 N7 O2 Pd -","- C93.24 H92.48 Cl6.48 N14 O4 Pd2 -","2","1","","J.L.Sessler; E.Katayev; V.Lynch; Y.Ustynyuk","Mono-palladium(II) complexes of diamidopyridine-dipyrromethane hybrid macrocycles.","Chemical Communications","2006","","45","","","10.1039/B611946H","","","0.71073","MoKα","","0.1795","0.072","","","0.1265","0.1558","","","","","","1.011","","","","has coordinates,has disorder","180117","2020-10-21","18:00:00",""
"7101552","16.179","0.013","15.653","0.012","10.866","0.008","90","","90","","90","","2751.7","3.7","298","1","","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C44 H50 Cl6 F12 N4 Pd2 Sb2 -","- C44 H50 Cl6 F12 N4 Pd2 Sb2 -","- C88 H100 Cl12 F24 N8 Pd4 Sb4 -","2","0.5","","Hoi Lun Kwong; Ho-Lun Yeung; Wing-Sze Lee; Wing-Tak Wong","Stereoselective formation of a single-stranded helicate: Structure of a bis(Palladium-allyl)quaterpyridine complex and its use in catalytic enantioselective allylic substitution","Chemical Communications","2006","","46","","","10.1039/b608481h","","","0.71073","MoKα","","","0.04","","","","0.047","","","","","","1.047","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7101553","11.663","0.002","16.601","0.003","20.231","0.004","90","","92.21","0.03","90","","3914.2","1.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 I2 N2 Te -","- C36 H40 I2 N2 Te -","- C144 H160 I8 N8 Te4 -","4","1","","Alan H. Cowley; Gregor Reeske","Direct reactions of tellurium tetrahalides with chelating nitrogen ligands: Trapping of TeI2 and C-H activation of an a,a'-diiminopyridine (DIMPY) Ligand","Chemical Communications","2006","","46","","","10.1039/B610491F","","","0.71073","MoKα","","0.1068","0.0609","","","0.1545","0.1703","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101554","10.841","0.005","14.198","0.005","18.808","0.005","90","","91.621","0.005","90","","2893.8","1.8","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 I2 N2 Te -","- C30 H28 I2 N2 Te -","- C120 H112 I8 N8 Te4 -","4","1","","Alan H. Cowley; Gregor Reeske","Direct reactions of tellurium tetrahalides with chelating nitrogen ligands: Trapping of TeI2 and C-H activation of an a,a'-diiminopyridine (DIMPY) Ligand","Chemical Communications","2006","","46","","","10.1039/B610491F","","","0.71069","MoKα","","0.0911","0.0404","","","0.065","0.0788","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101555","14.91","0.003","14.05","0.003","21.163","0.004","90","","100.93","0.03","90","","4352.9","1.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Cl3 N3 Te -","- C33 H42 Cl3 N3 Te -","- C132 H168 Cl12 N12 Te4 -","4","1","","Alan H. Cowley; Gregor Reeske","Direct reactions of tellurium tetrahalides with chelating nitrogen ligands: Trapping of TeI2 and C-H activation of an a,a'-diiminopyridine (DIMPY) Ligand","Chemical Communications","2006","","46","","","10.1039/B610491F","","","0.71073","MoKα","","0.0952","0.0503","","","0.1115","0.1233","","","","","","0.922","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7101556","16.0889","0.0019","16.0889","0.0019","16.0889","0.0019","90","","90","","90","","4164.7","0.9","203","2","203","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- H40 K10 Mn4 O20 Sn4 Te17 -","- K10.32 Mn4 O19.56 Sn4 Te17 -","- K20.64 Mn8 O39.12 Sn8 Te34 -","2","0.0416667","","Stefanie Dehnen; Andreas Fuchs; Eugen Ruzin","Fine-Tuning of Optical Properties with Salts of Discrete or Polymeric, Heterobimetallic Telluride Anions [M4(μ4-Te)(SnTe4)4]10 (M = Mn, Zn, Cd, Hg) and {[Hg4(μ4-Te)(SnTe4)3]6}","Chemical Communications","2006","","46","","","10.1039/b610833d","","","0.56087","AgKα","","0.0668","0.0625","","","0.1603","0.1638","","","","","","1.055","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101557","15.9651","0.0018","15.9651","0.0018","15.9651","0.0018","90","","90","","90","","4069.3","0.8","203","2","203","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- H40 K10 O20 Sn4 Te17 Zn4 -","- K10.08 O20.19 Sn4 Te17 Zn4 -","- K20.16 O40.38 Sn8 Te34 Zn8 -","2","0.0416667","","Stefanie Dehnen; Andreas Fuchs; Eugen Ruzin","Fine-Tuning of Optical Properties with Salts of Discrete or Polymeric, Heterobimetallic Telluride Anions [M4(μ4-Te)(SnTe4)4]10 (M = Mn, Zn, Cd, Hg) and {[Hg4(μ4-Te)(SnTe4)3]6}","Chemical Communications","2006","","46","","","10.1039/b610833d","","","0.56087","AgKα","","0.1309","0.0621","","","0.1079","0.1977","","","","","","0.88","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101558","16.1423","0.0019","16.1423","0.0019","16.1423","0.0019","90","","90","","90","","4206.3","0.9","203","2","203","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- Cd4 H40 K10 O20 Sn4 Te17 -","- Cd4 K10.08 O19.92 Sn4 Te17 -","- Cd8 K20.16 O39.84 Sn8 Te34 -","2","0.0416667","","Stefanie Dehnen; Andreas Fuchs; Eugen Ruzin","Fine-Tuning of Optical Properties with Salts of Discrete or Polymeric, Heterobimetallic Telluride Anions [M4(μ4-Te)(SnTe4)4]10 (M = Mn, Zn, Cd, Hg) and {[Hg4(μ4-Te)(SnTe4)3]6}","Chemical Communications","2006","","46","","","10.1039/b610833d","","","0.56087","AgKα","","0.0707","0.053","","","0.1275","0.1376","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101559","16.1002","0.0019","16.1002","0.0019","16.1002","0.0019","90","","90","","90","","4173.4","0.9","203","2","203","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- Cd4 H40 O20 Rb10 Sn4 Te17 -","- Cd4 O19.8 Rb10.14 Sn4 Te17 -","- Cd8 O39.6 Rb20.28 Sn8 Te34 -","2","0.0416667","","Stefanie Dehnen; Andreas Fuchs; Eugen Ruzin","Fine-Tuning of Optical Properties with Salts of Discrete or Polymeric, Heterobimetallic Telluride Anions [M4(μ4-Te)(SnTe4)4]10 (M = Mn, Zn, Cd, Hg) and {[Hg4(μ4-Te)(SnTe4)3]6}","Chemical Communications","2006","","46","","","10.1039/b610833d","","","0.71073","MoKα","","0.0356","0.0319","","","0.0642","0.0652","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101560","16.076","0.0019","16.076","0.0019","16.076","0.0019","90","","90","","90","","4154.6","0.9","203","2","203","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- H40 Hg4 K10 O20 Sn4 Te17 -","- Hg4 K9.96 O20.04 Sn4 Te17 -","- Hg8 K19.92 O40.08 Sn8 Te34 -","2","0.0416667","","Stefanie Dehnen; Andreas Fuchs; Eugen Ruzin","Fine-Tuning of Optical Properties with Salts of Discrete or Polymeric, Heterobimetallic Telluride Anions [M4(μ4-Te)(SnTe4)4]10 (M = Mn, Zn, Cd, Hg) and {[Hg4(μ4-Te)(SnTe4)3]6}","Chemical Communications","2006","","46","","","10.1039/b610833d","","","0.71073","MoKα","","0.0778","0.0635","","","0.1146","0.1236","","","","","","1.095","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101561","15.88","0.002","15.88","0.002","17.367","0.004","90","","90","","120","","3793","1.1","203","2","203","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- Cs6 H8 Hg4 O4 Sn3 Te13 -","- Cs6 Hg4 O3.99 Sn3 Te13 -","- Cs18 Hg12 O11.97 Sn9 Te39 -","3","0.166667","","Stefanie Dehnen; Andreas Fuchs; Eugen Ruzin","Fine-Tuning of Optical Properties with Salts of Discrete or Polymeric, Heterobimetallic Telluride Anions [M4(μ4-Te)(SnTe4)4]10 (M = Mn, Zn, Cd, Hg) and {[Hg4(μ4-Te)(SnTe4)3]6}","Chemical Communications","2006","","46","","","10.1039/b610833d","","","0.71073","MoKα","","0.0573","0.0474","","","0.1025","0.105","","","","","","0.95","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101562","4.691","0.0001","10.5327","0.0002","31.2403","0.0006","90","","90","","90","","1543.55","0.04","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","E.Merkul; T.J.J.Muller","A new consecutive three-component oxazole synthesis by an amidation‒coupling‒cycloisomerization (ACCI) sequence","Chemical Communications","2006","","46","","","10.1039/b610839c","","","0.71073","MoKα","","0.0483","0.0351","","","0.0739","0.0796","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101563","11.9492","0.0012","12.8495","0.001","14.8214","0.0019","69.338","0.015","77.564","0.017","61.719","0.013","1872","0.3","128.1","","","","","","","","","","","4","P -1","-P 1","2","5-Methyl-1-(4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl- imidazolidin-2-yl)-benzyl)-1H-pyrimidine-2,4-dione, compd. with, 9-(4- (1-oxyl-3-oxido-4,4,5,5-tetramethyl-imidazolidin-2-yl)-benzyl)-9H-purin- 6-ylamine","","","- C38 H45 N11 O6 -","- C38 H45 N11 O6 -","- C76 H90 N22 O12 -","2","1","","Tomoaki Ise; Daisuke Shiomi; Kazunobu Sato; Takeji Takui","Watson-Crick Pairing of Nucleobases Functionalized with Open-Shell Molecular Entities in Crystalline Solids","Chemical Communications","2006","","46","","","10.1039/b611236f","","","0.7107","MoKα","","","0.0699","","","","0.1481","","","","","","1.053","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7101564","5.4987","0.0003","9.8391","0.0005","13.5025","0.0006","90","","90","","90","","730.52","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N O3 -","- C7 H9 N O3 -","- C28 H36 N4 O12 -","4","1","","S.Ley; Henriette M. Hansen; Deborah A. Longbottom","A new asymmetric organocatalytic nitrocyclopropanation reaction","Chemical Communications","2006","","46","","","10.1039/b612436b","","","0.71073","MoKα","","0.0614","0.0437","","","0.0808","0.0879","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101565","6.3661","0.0007","7.5923","0.0009","8.0357","0.0009","103.58","0.01","103.119","0.01","109.693","0.01","334.98","0.08","220","2","220","2","","","","","","","","5","P -1","-P 1","2","Zinc Nitrate 1:1 Complex with Pyridazino(4,5-d)pyridazine","Zinc Nitrate 1:1 Complex with Pyridazino[4,5-d]pyridazine","","- C6 H12 N6 O10 Zn -","- C6 H12 N6 O10 Zn -","- C6 H12 N6 O10 Zn -","1","0.5","","I.Gural'skiy; P.V.Solntsev; H.Krautscheid; K.V.Domasevitch","Metal-organic frameworks exhibiting strong anion-pi interactions","Chemical Communications","2006","","46","","","10.1039/b612660j","","","0.71073","MoKα","","0.0256","0.0255","","","0.0675","0.0675","","","","","","1.086","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7101566","13.1173","0.0009","13.2215","0.0009","12.0518","0.0008","90","","113.404","0.002","90","","1918.2","0.2","220","2","220","2","","","","","","","","5","C 1 c 1","C -2yc","9","Copper(ii) Nitrate 1:2 Complex with Pyridazino(4,5- d)pyridazine, Tetrahydrate","Copper(II) Nitrate 1:2 Complex with Pyridazino[4,5-d]pyridazine, Tetrahydrate","","- C12 H16 Cu N10 O10 -","- C12 H12 Cu N10 O10 -","- C48 H48 Cu4 N40 O40 -","4","1","","I.Gural'skiy; P.V.Solntsev; H.Krautscheid; K.V.Domasevitch","Metal-organic frameworks exhibiting strong anion-pi interactions","Chemical Communications","2006","","46","","","10.1039/b612660j","","","0.71073","MoKα","","0.0444","0.0413","","","0.1124","0.1145","","","","","","1.08","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101567","7.3893","0.0008","9.0008","0.0009","9.0474","0.0009","92.65","0.01","107.178","0.01","95.598","0.01","570.37","0.1","220","2","220","2","","","","","","","","6","P -1","-P 1","2","Copper(ii) Perchlorate 1:2 Complex with Pyridazino(4,5- d)pyridazine, Hexahydrate","Copper(II) Perchlorate 1:2 Complex with Pyridazino[4,5-d]pyridazine, Hexahydrate","","- C12 H20 Cl2 Cu N8 O14 -","- C12 H20 Cl2 Cu N8 O14 -","- C12 H20 Cl2 Cu N8 O14 -","1","0.5","","I.Gural'skiy; P.V.Solntsev; H.Krautscheid; K.V.Domasevitch","Metal-organic frameworks exhibiting strong anion-pi interactions","Chemical Communications","2006","","46","","","10.1039/b612660j","","","0.71073","MoKα","","0.0304","0.028","","","0.0779","0.0787","","","","","","1.067","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7101568","6.7875","0.0007","10.5615","0.0009","14.2118","0.0011","90","","97.567","0.01","90","","1009.92","0.16","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Hydroxocopper(ii) Sulfamate Complex with Pyridazino(4,5- d)pyridazine, Monohydrate","Hydroxocopper(II) Sulfamate Complex with Pyridazino[4,5-d]pyridazine, Monohydrate","","- C6 H9 Cu N5 O5 S -","- C6 H9 Cu N5 O5 S -","- C24 H36 Cu4 N20 O20 S4 -","4","1","","I.Gural'skiy; P.V.Solntsev; H.Krautscheid; K.V.Domasevitch","Metal-organic frameworks exhibiting strong anion-pi interactions","Chemical Communications","2006","","46","","","10.1039/b612660j","","","0.71073","MoKα","","0.0537","0.0362","","","0.0959","0.0994","","","","","","0.967","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101569","7.4389","0.0005","10.572","0.001","14.7775","0.001","90","","90","","90","","1162.16","0.16","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Silver(I) Methanesulfonate Complex with Pyridazino[4,5-d]pyridazine, Dihydrate","","- C7 H11 Ag N4 O5 S -","- C7 H11 Ag N4 O5 S -","- C28 H44 Ag4 N16 O20 S4 -","4","1","","I.Gural'skiy; P.V.Solntsev; H.Krautscheid; K.V.Domasevitch","Metal-organic frameworks exhibiting strong anion-pi interactions","Chemical Communications","2006","","46","","","10.1039/b612660j","","","0.71073","MoKα","","0.0244","0.0201","","","0.0425","0.0431","","","","","","0.952","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7101570","5.0398","0.0017","10.91","0.004","27.268","0.007","90","","90.36","0.02","90","","1499.3","0.8","120","2","120","2","","","","","","","N Azzi","4","P 1 c 1","P -2yc","7","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","2","","Bruno Linclau; Nadia Azzi; Ed Griffen; Mark E. Light","An enantioselective desymmetrisation approach to C9-substituted trans-hydrindene rings based on a diastereotopic group-selective intramolecular Diels-Alder reaction.","Chemical Communications","2006","","47","","","10.1039/b607488j","","","0.71073","MoKα","","0.0924","0.0654","","","0.1119","0.1197","","","","","","1.183","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101571","9.6901","0.0004","9.6901","0.0004","6.6193","0.0004","90","","90","","90","","621.54","0.05","298","2","298","2","","","","","","","","6","P 4/n b m :2","-P 4a 2b","125","Bis(pyrazine) copper(ii) bifloride tetrafluoroborate","","","- C8 H9 B Cu F6 N4 -","- C8 H9 B Cu F6 N4 -","- C16 H18 B2 Cu2 F12 N8 -","2","0.125","","Manson, Jamie L.; Conner, Marianne M.; Schlueter, John A.; Lancaster, Tom; Blundell, Stephen J.; Brooks, Michael L.; Pratt, Francis L.; Papageorgiou, Thomas; Bianchi, Andreas D.; Wosnitza, Jochen; Whangbo, Myung-Hwan","[Cu(HF~2~)(pyz)~2~]BF~4~ (pyz = pyrazine): long-range magnetic ordering in a pseudo-cubic coordination polymer comprised of bridging HF~2~^-^ and pyrazine ligands","Chemical Communications (Cambridge, United Kingdom)","2006","","47","4894","4896","10.1039/b608791d","","","0.71073","MoKα","","0.0479","0.044","","","0.122","0.1296","","","","","","1.067","","","","has coordinates","288002","2023-12-04","15:57:15",""
"7101572","13.8291","0.0011","9.3189","0.0008","21.4664","0.0018","90","","108.22","0.001","90","","2627.7","0.4","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Mn(Salen)","","","- C24 H31 Mn N4 O9 -","- C24 H30 Mn N4 O9 -","- C96 H120 Mn4 N16 O36 -","4","1","","Y.Watanabe; A.Namba; N.Umezawa; M.Kawahata; K.Yamaguchi; T.Higuchi","Enhanced catalase-like activity of manganese salen complexes in water: effect of a three-dimensionally fixed auxiliary","Chemical Communications","2006","","47","","","10.1039/b608846e","","","0.71073","MoKα","","0.1025","0.0813","","","0.253","0.2742","","","","","","1.066","","","","has coordinates","295947","2024-11-15","22:25:06",""
"7101573","8.82","0.003","8.82","0.003","20.727","0.013","90","","90","","120","","1396.4","1.1","295","2","295","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C9 H9 Er O6 -","- C9 H6 Er O6 -","- C54 H36 Er6 O36 -","6","0.166667","","D.T.de Lill; C.L.Cahill","An Unusually High Thermal Stability within a Novel Lanthanide 1,3,5-Cyclohexanetricarboxylate Framework: Synthesis, Structure, and Thermal Data.","Chemical Communications","2006","","47","","","10.1039/b610012k","","","0.71073","MoKα","","0.0262","0.0176","","","0.0414","0.0435","","","","","","1.086","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101574","8.9133","0.0012","8.9133","0.0012","20.654","0.006","90","","90","","120","","1421.1","0.5","295","2","295","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C9 H9 O6 Tb -","- C9 H6 O6 Tb -","- C54 H36 O36 Tb6 -","6","0.166667","","D.T.de Lill; C.L.Cahill","An Unusually High Thermal Stability within a Novel Lanthanide 1,3,5-Cyclohexanetricarboxylate Framework: Synthesis, Structure, and Thermal Data.","Chemical Communications","2006","","47","","","10.1039/b610012k","","","0.71073","MoKα","","0.0305","0.0184","","","0.0412","0.044","","","","","","1.074","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101575","20.1077","0.0011","20.1077","0.0011","20.234","0.002","90","","90","","120","","7085.1","0.9","294","2","294","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C54 H71 B2 Cd3 F14 N42 O15.5 Si -","- C54 H42 B1.98 Cd3 F13.92 N42 O15.48 Si -","- C162 H126 B5.94 Cd9 F41.76 N126 O46.44 Si3 -","3","0.166667","","Huang, Yong-Quan; Ding, Bin; Song, Hai-Bin; Zhao, Bin; Ren, Peng; Cheng, Peng; Wang, Hong-Gen; Liao, Dai-Zheng; Yan, Shi-Ping","A novel 3D porous metal–organic framework based on trinuclear cadmium clusters as a promising luminescent material exhibiting tunable emissions between UV and visible wavelengths","Chemical Communications (Cambridge, United Kingdom)","2006","","47","4906","4908","10.1039/b610185b","","","0.71073","MoKα","","0.0495","0.0413","","","0.1269","0.1357","","","","","","1.009","","","","has coordinates,has disorder","288003","2023-12-04","16:00:42",""
"7101576","9.6278","0.0005","20.9561","0.0011","28.0324","0.0014","90","","90","","90","","5655.8","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,1-bis(4-Hydroxyphenyl)cyclohexane","1,1-bis(4-Hydroxyphenyl)cyclohexane","","- C18 H20 O2 -","- C18 H20 O2 -","- C288 H320 O32 -","16","2","","A.Nangia; S.Roy; B.Sarma","Polymorphs of 1,1-bis(4-hydroxyphenyl)cyclohexane and multiple Z' structures by melt and sublimation crystallization","Chemical Communications","2006","","47","","","10.1039/b610323e","","","0.71073","MoKα","","0.0715","0.0582","","","0.1164","0.1217","","","","","","1.201","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101577","6.2275","0.0006","10.848","0.001","11.3359","0.0011","101.611","0.002","103.424","0.001","103.117","0.002","698.9","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","1,1-Bis(4-Hydroxypheyl)cyclohexane","1,1-Bis(4-Hydroxypheyl)cyclohexane","","- C18 H20 O2 -","- C18 H20 O2 -","- C36 H40 O4 -","2","1","","A.Nangia; S.Roy; B.Sarma","Polymorphs of 1,1-bis(4-hydroxyphenyl)cyclohexane and multiple Z' structures by melt and sublimation crystallization","Chemical Communications","2006","","47","","","10.1039/b610323e","","","0.71073","MoKα","","0.053","0.0424","","","0.1117","0.1189","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101578","19.591","0.002","19.395","0.002","12.9581","0.0012","103.194","0.011","102.859","0.011","73.68","0.01","4534.1","0.8","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H45 Fe N O15 S40 -","- C72 H45 Fe N O15 S40 -","- C144 H90 Fe2 N2 O30 S80 -","2","1","","C.Gomez Garcia; E.Canadell; E.Coronado; S.Curreli; P.Deplano; C.Faulmann; C.Gimemez-Saiz; M.L.Mercuri; L.Pilia; A.Serpe","A chirality-induced alpha phase and a novel molecular magnetic metal in the BEDT-TTF/ tris(croconate)ferrate(III) hybrid molecular system","Chemical Communications","2006","","47","","","10.1039/b610408h","","","0.71073","MoKα","","0.2029","0.0528","","","0.0745","0.1119","","","","","","0.682","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101579","42.4125","0.0005","11.21","0.0003","20.4336","0.0003","90","","114.893","0.001","90","","8812.5","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H50 Fe O20 S40 -","- C65 H40 Fe O20 S40 -","- C260 H160 Fe4 O80 S160 -","4","0.5","","C.Gomez Garcia; E.Canadell; E.Coronado; S.Curreli; P.Deplano; C.Faulmann; C.Gimemez-Saiz; M.L.Mercuri; L.Pilia; A.Serpe","A chirality-induced alpha phase and a novel molecular magnetic metal in the BEDT-TTF/ tris(croconate)ferrate(III) hybrid molecular system","Chemical Communications","2006","","47","","","10.1039/b610408h","","","0.71073","MoKα","","0.1036","0.0466","","","0.1104","0.1327","","","","","","1.014","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101580","8.7509","0.0011","16.449","0.002","18.61","0.002","88.055","0.002","83.54","0.002","74.64","0.002","2566.7","0.5","90","","90","","","","","","","","","6","P -1","-P 1","2","(LZn3La(OAc)3(EtOH))(H2O)","","","- C46 H51 La N6 O22 Zn3 -","- C46 H49 La N6 O22 Zn3 -","- C92 H98 La2 N12 O44 Zn6 -","2","1","","T.Nabeshima; S.Akine; T.Matsumoto; T.Taniguchi","Guest-dependent inversion rate of tetranuclear metallohelicene","Chemical Communications","2006","","47","","","10.1039/b610641b","","","0.71073","MoKα","","0.0469","0.0424","","","0.1083","0.1108","","","","","","1.031","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101581","40.32","0.02","12.99","0.006","22.83","0.012","90","","117.67","0.008","90","","10590","9","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C144 H96 Mn16 N66 O30 -","- C144 H96 Mn16 N66 O30 -","- C288 H192 Mn32 N132 O60 -","2","0.5","","L.Thompson; L.N.Dawe; S.Dey","A self-assembled hexa-decanuclear 4 x [2x2] Mn(II)16 square grid from a pyridazine bis hydrazone ligand synthesis, structure and magnetism","Chemical Communications","2006","","47","","","10.1039/b611267f","","","0.7107","MoKα","","0.095","0.0868","","","0.233","0.2446","","","","","","1.022","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101582","8.8343","0.001","15.178","0.0017","25.437","0.003","90","","90.284","0.003","90","","3410.8","0.7","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Cl2 Cu N4 O2 -","- C44 H28 Cl2 Cu N4 O2 -","- C176 H112 Cl8 Cu4 N16 O8 -","4","1","","J.Zaleski; Tillmann Kopke; Maren Pink","Elucidation of the extraordinary 4-membered pyrrole ring-contracted azeteoporphyrinoid as an intermediate in chlorin oxidation","Chemical Communications","2006","","47","","","10.1039/b611567e","","","0.71073","MoKα","","0.0786","0.0511","","","0.111","0.1237","","","","","","1.037","","","","has coordinates,has disorder","180117","2020-10-21","18:00:00",""
"7101583","14.68","0.002","16.236","0.002","14.847","0.0019","90","","119.522","0.003","90","","3079.2","0.7","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H26 Cu N4 O -","- C43 H26 Cu N4 O -","- C172 H104 Cu4 N16 O4 -","4","1","","J.Zaleski; Tillmann Kopke; Maren Pink","Elucidation of the extraordinary 4-membered pyrrole ring-contracted azeteoporphyrinoid as an intermediate in chlorin oxidation","Chemical Communications","2006","","47","","","10.1039/b611567e","","","0.71073","MoKα","","0.083","0.0541","","","0.1301","0.1488","","","","","","1.021","","","","has coordinates,has disorder","180117","2020-10-21","18:00:00",""
"7101584","14.6193","0.0014","16.3787","0.0015","14.8341","0.0014","90","","119.585","0.002","90","","3088.9","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H26 N4 Ni O -","- C43 H26 N4 Ni O -","- C172 H104 N16 Ni4 O4 -","4","1","","J.Zaleski; Tillmann Kopke; Maren Pink","Elucidation of the extraordinary 4-membered pyrrole ring-contracted azeteoporphyrinoid as an intermediate in chlorin oxidation","Chemical Communications","2006","","47","","","10.1039/b611567e","","","0.71073","MoKα","","0.0488","0.04","","","0.0962","0.101","","","","","","1.08","","","","has coordinates,has disorder","180117","2020-10-21","18:00:00",""
"7101585","15.117","0.004","15.117","0.004","13.535","0.005","90","","90","","90","","3093","1.5","130","2","130","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C43 H26 N4 Ni O2 -","- C43 H26 N4 Ni O2 -","- C172 H104 N16 Ni4 O8 -","4","0.25","","J.Zaleski; Tillmann Kopke; Maren Pink","Elucidation of the extraordinary 4-membered pyrrole ring-contracted azeteoporphyrinoid as an intermediate in chlorin oxidation","Chemical Communications","2006","","47","","","10.1039/b611567e","","","0.71073","MoKα","","0.0481","0.0374","","","0.0896","0.0956","","","","","","1.035","","","","has coordinates,has disorder","277870","2022-09-15","11:09:07",""
"7101586","18.875","0.002","10.6604","0.001","28.891","0.003","90","","90","","90","","5813.3","1","115","","115","","","","","","","","local laboratory","5","P b c a","-P 2ac 2ab","61","","","","- C23 H43 B10 N Si -","- C23 H43 B10 N Si -","- C184 H344 B80 N8 Si8 -","8","1","","Graca Vicente; Frank R. Fronczek; Erhong Hao.","Carborane functionalized pyrroles and porphyrins via the Suzuki cross-coupling reaction","Chemical Communications","2006","","47","","","10.1039/b611571c","","","0.71073","MoKα","","0.104","0.057","","","0.126","0.146","","","","","","1.022","","","","has coordinates,has disorder","277870","2022-09-15","11:09:07",""
"7101587","13.618","0.003","33.525","0.006","23.329","0.005","90","","103.989","0.006","90","","10335","4","115","","115","","","","","","","","local laboratory","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H110 B40 Cl2 F6 N4 O5 -","- C90 H106 B40 Cl2 F6 N4 O5 -","- C360 H424 B160 Cl8 F24 N16 O20 -","4","1","","Graca Vicente; Frank R. Fronczek; Erhong Hao.","Carborane functionalized pyrroles and porphyrins via the Suzuki cross-coupling reaction","Chemical Communications","2006","","47","","","10.1039/b611571c","","","0.71073","MoKα","","0.203","0.134","","","0.364","0.407","","","","","","1.428","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101588","10.9219","0.0017","7.44","0.0012","21.034","0.003","90","","93.362","0.003","90","","1706.2","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","racemic progesterone","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","A.T.Hulme; R.W.Lancaster; D.A.Tocher","Racemic Progesterone: Predicted in silico and produced in the solid state","Chemical Communications","2006","","47","","","10.1039/b611599c","","","0.71073","MoKα","","0.1265","0.0886","","","0.1636","0.175","","","","","","1.163","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101589","11.634","0.002","12.065","0.002","50.23","0.01","90","","90","","90","","7050","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 Cl3 O8 -","- C35 H39 Cl3 O8 -","- C280 H312 Cl24 O64 -","8","2","","Boyd, Derek R.; Sharma, Narain D.; Belhocine, Tayeb; Malone, John F.; McGregor, Stuart; Allen, Christopher C. R.","Dioxygenase-catalysed dihydroxylation of arene cis-dihydrodiols and acetonide derivatives: a new approach to the synthesis of enantiopure tetraoxygenated bioproducts from arenes","Chemical Communications (Cambridge, United Kingdom)","2006","","47","4934","4936","10.1039/b612191h","","","0.71073","MoKα","","0.0995","0.0664","","","0.177","0.1982","","","","","","0.987","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101590","26.5422","0.0011","26.5422","0.0011","7.1719","0.0003","90","","90","","90","","5052.5","0.4","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C27 H32 N2 O5 Pd -","- C27 H32 N2 O5 Pd -","- C216 H256 N16 O40 Pd8 -","8","1","","Wang, Yueh-Ju; Song, Jian-Hong; Lin, Yu-Siang; Lin, Ching; Sheu, Hwo-Shuenn; Lee, Gene-Hsiang; Lai, Chung K.","Supramolecular metallomesogens. Self-organization of an H-bonded tetrameric assembly into columnar phase from single component","Chemical Communications (Cambridge, United Kingdom)","2006","","47","4912","4914","10.1039/b612374k","","","0.71073","MoKα","","0.1254","0.0477","","","0.1268","0.1657","","","","","","1.006","","","","has coordinates,has disorder","208980","2020-10-21","18:00:00",""
"7101591","10.7707","0.0005","16.35","0.0008","18.0972","0.0009","90","","99.888","0.001","90","","3139.6","0.3","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H78 B2 N14 O4 Pd S6 -","- C50 H78 B2 N14 O4 Pd S6 -","- C100 H156 B4 N28 O8 Pd2 S12 -","2","0.5","","G. Parkin; Keliang Pang.; Stephanie M. Quan","Palladium complexes with Pd‒>B dative bonds: Analysis of the bonding in the palladaboratrane compound [κ4-B(mimBut)3]Pd(PMe3)","Chemical Communications","2006","","48","","","10.1039/b611654j","","","0.71073","MoKα","","0.0854","0.042","","","0.0943","0.1108","","","","","","1.03","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101592","13.5495","0.0014","13.3193","0.0013","21.005","0.002","90","","108.513","0.002","90","","3594.6","0.6","243","2","243","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 B N6 P Pd S3 -","- C30 H48 B N6 P Pd S3 -","- C120 H192 B4 N24 P4 Pd4 S12 -","4","1","","G. Parkin; Keliang Pang.; Stephanie M. Quan","Palladium complexes with Pd‒>B dative bonds: Analysis of the bonding in the palladaboratrane compound [κ4-B(mimBut)3]Pd(PMe3)","Chemical Communications","2006","","48","","","10.1039/b611654j","","","0.71073","MoKα","","0.2375","0.0667","","","0.1092","0.1434","","","","","","1.012","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101593","10.8342","0.0004","11.277","0.0005","13.6177","0.0006","93.867","0.001","92.84","0.001","106.234","0.001","1589.73","0.12","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H78 B2 N14 O4 Pd S6 -","- C50 H78 B2 N14 O4 Pd S6 -","- C50 H78 B2 N14 O4 Pd S6 -","1","0.5","","G. Parkin; Keliang Pang.; Stephanie M. Quan","Palladium complexes with Pd‒>B dative bonds: Analysis of the bonding in the palladaboratrane compound [κ4-B(mimBut)3]Pd(PMe3)","Chemical Communications","2006","","48","","","10.1039/b611654j","","","0.71073","MoKα","","0.0531","0.0354","","","0.078","0.0852","","","","","","1.011","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101594","12.6473","0.0006","18.2555","0.0009","12.4059","0.0006","90","","101.625","0.001","90","","2805.6","0.2","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H72 B2 N14 Pd2 S6 -","- C46 H72 B2 N14 Pd2 S6 -","- C92 H144 B4 N28 Pd4 S12 -","2","0.5","","G. Parkin; Keliang Pang.; Stephanie M. Quan","Palladium complexes with Pd‒>B dative bonds: Analysis of the bonding in the palladaboratrane compound [κ4-B(mimBut)3]Pd(PMe3)","Chemical Communications","2006","","48","","","10.1039/b611654j","","","0.71073","MoKα","","0.0916","0.0425","","","0.0744","0.087","","","","","","1.005","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101595","4.8023","0.0001","8.6693","0.0002","24.105","0.0005","90","","93.793","0.002","90","","1001.36","0.04","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H27 N5 O4 -","- C18 H27 N5 O4 -","- C36 H54 N10 O8 -","2","1","","M. Khurram N. Qureshi; Martin D. Smith","Parallel sheet structure in cyclopropane γ-peptides stabilized by C‒H...O hydrogen bonds","Chemical Communications","2006","","48","","","10.1039/b611882h","","","0.71073","MoKα","","0.0481","0.0447","","","0.1073","0.1106","","","","","","1.045","","","","has coordinates,has disorder","180117","2020-10-21","18:00:00",""
"7101596","10.356","0.002","12.553","0.003","14.756","0.003","100.4","0.03","90.53","0.03","110.49","0.03","1761.9","0.8","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H41 Cl F3 N2 O3 P S -","- C30 H41 Cl F3 N2 O3 P S -","- C60 H82 Cl2 F6 N4 O6 P2 S2 -","2","1","","L.Zheng; Gregor Reeske; Jennifer A. Moore; Alan H. Cowley","N,C-chelated beta-diketiminato phosphenium cations","Chemical Communications","2006","","48","","","10.1039/b611976j","","","0.71073","MoKα","","0.1463","0.0722","","","0.1841","0.2103","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7101597","13.64","0.005","13.086","0.005","23.778","0.005","90","","97.133","0.005","90","","4211","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 Al Cl6 N2 P -","- C37 H49 Al Cl6 N2 P -","- C148 H196 Al4 Cl24 N8 P4 -","4","1","","L.Zheng; Gregor Reeske; Jennifer A. Moore; Alan H. Cowley","N,C-chelated beta-diketiminato phosphenium cations","Chemical Communications","2006","","48","","","10.1039/b611976j","","","0.71069","MoKα","","0.2305","0.0749","","","0.1636","0.2135","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7101598","40.698","0.002","40.698","0.002","13.5231","0.001","90","","90","","90","","22399","2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C168 H188 Cd16 N8 O118 -","- C168 H188 Cd16 N8 O118 -","- C672 H752 Cd64 N32 O472 -","4","0.25","","Zang, Shuangquan; Su, Yang; Duan, Chunying; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","Coexistence of chiral hydrophilic and achiral hydrophobic channels in one multi-helical-array metal–organic framework incorporating helical water cluster chains","Chemical Communications (Cambridge, United Kingdom)","2006","","48","4997","4999","10.1039/b611994h","","","0.71073","MoKα","","0.0717","0.0535","","","0.1276","0.1344","","","","","","1.084","","","","has coordinates","288004","2023-12-04","16:04:21",""
"7101599","19.8821","0.0004","12.4231","0.0003","10.898","0.0003","90","","102.466","0.001","90","","2628.32","0.11","115","2","115","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Fe2 N4 -","- C30 H40 Fe2 N4 -","- C120 H160 Fe8 N16 -","4","0.5","","R.Guilard; Fanny Chaux; Franck Denat; Enrique Espinosa","An easy route towards regioselectively difunctionalized cyclens and new cryptands","Chemical Communications","2006","","48","","","10.1039/b612293k","","","0.71069","MoKα","","0.056","0.0324","","","0.0714","0.0783","","","","","","1.06","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101600","12.1266","0.0002","13.4493","0.0003","15.1931","0.0003","90","","94.26","0.001","90","","2471.06","0.08","115","2","115","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl2 Cu N4 O9 -","- C22 H30 Cl2 Cu N4 O9 -","- C88 H120 Cl8 Cu4 N16 O36 -","4","1","","R.Guilard; Fanny Chaux; Franck Denat; Enrique Espinosa","An easy route towards regioselectively difunctionalized cyclens and new cryptands","Chemical Communications","2006","","48","","","10.1039/b612293k","","","0.71069","MoKα","","0.0776","0.0447","","","0.1004","0.1117","","","","","","1.035","","","","has coordinates,has disorder","180118","2020-10-21","18:00:00",""
"7101601","20.913","0.002","14.8336","0.0015","18.2903","0.0019","90","","118.808","0.002","90","","4971.6","0.9","292","2","292","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H48 Ag4 N20 O15 -","- C36 H48 Ag4 N20 O15 -","- C144 H192 Ag16 N80 O60 -","4","0.5","","Chuan-Ming Jin; Jing Huang; Huan Lu; Ling-Yan Wu","A New Infinite Inorganic [n]Catenane From Silver and Bis(2-methylimidazolyl)methane Ligand","Chemical Communications","2006","","48","","","10.1039/b612885h","","","0.71073","MoKα","","0.1025","0.0769","","","0.2123","0.2341","","","","","","1.008","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7101602","8.2469","0.0004","7.9889","0.0004","16.3187","0.0009","90","","97.75","0.001","90","","1065.32","0.09","87","2","87","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Bis(imidazolium)AgNO3.H2O)n","","","- C7 H10 Ag N5 O4 -","- C7 H10 Ag N5 O4 -","- C28 H40 Ag4 N20 O16 -","4","1","","Chuan-Ming Jin; Jing Huang; Huan Lu; Ling-Yan Wu","A New Infinite Inorganic [n]Catenane From Silver and Bis(2-methylimidazolyl)methane Ligand","Chemical Communications","2006","","48","","","10.1039/b612885h","","","0.71073","MoKα","","0.0203","0.0184","","","0.0481","0.0497","","","","","","1.046","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7101603","8.9522","0.0004","6.7582","0.0005","18.8755","0.0014","90","","100.685","0.004","90","","1122.19","0.13","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","theophylline L-tartaric acid 2/1","theophylline L-tartaric acid 2/1","","- C18 H22 N8 O10 -","- C18 H22 N8 O10 -","- C36 H44 N16 O20 -","2","1","","W. Jones; Jonathan C. Burley; Laszlo Fabian; Tomislav Friscic; W. D. Sam Motherwell","Exploring cocrystal-cocrystal reactivity via liquid-assisted grinding: assembling of racemic and dismantling of enantiomeric cocrystals","Chemical Communications","2006","","48","","","10.1039/b613073a","powder diffraction","","","","","0.0817","","","","","","","","1.3","","","","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7101604","7.3102","0.0001","8.373","0.0001","17.9724","0.0003","98.294","0.001","99.466","0.001","94.527","0.001","1067.78","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","theophylline DL-tartaric acid 2/1","theophylline DL-tartaric acid 2/1","","- C18 H22 N8 O10 -","- C18 H22 N8 O10 -","- C36 H44 N16 O20 -","2","1","","W. Jones; Jonathan C. Burley; Laszlo Fabian; Tomislav Friscic; W. D. Sam Motherwell","Exploring cocrystal-cocrystal reactivity via liquid-assisted grinding: assembling of racemic and dismantling of enantiomeric cocrystals","Chemical Communications","2006","","48","","","10.1039/b613073a","","","0.71073","MoKα","","0.0458","0.0374","","","0.1027","0.1147","","","","","","1.066","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7101605","5.8024","0.0001","10.026","0.0001","25.3674","0.0004","90","","90","","90","","1475.74","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Caffeine-D-tartaric acid 1/1","Caffeine-D-tartaric acid 1/1","","- C12 H16 N4 O8 -","- C12 H16 N4 O8 -","- C48 H64 N16 O32 -","4","1","","W. Jones; Jonathan C. Burley; Laszlo Fabian; Tomislav Friscic; W. D. Sam Motherwell","Exploring cocrystal-cocrystal reactivity via liquid-assisted grinding: assembling of racemic and dismantling of enantiomeric cocrystals","Chemical Communications","2006","","48","","","10.1039/b613073a","","","0.71073","MoKα","","0.0289","0.0275","","","0.0685","0.0696","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101606","15.0482","0.0016","16.1047","0.0016","32.609","0.004","90","","90","","90","","7902.7","1.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C352 H416 N32 O48 -","16","2","","R.E.Grigg; V.Sridharana; A.M.Derrick; A.Keep; C.Kilner; Christian Lofberg","Sequential One-Pot Bimetallic Ir(III) / Pd(0) Catalysed Mono- / Bis-Alkylation and Spirocyclisation Processes of 1,3-Dimethylbarbituric Acid and Allenes","Chemical Communications","2006","","48","","","10.1039/b614098j","","","0.71073","MoKα","","0.0824","0.0434","","","0.0921","0.1138","","","","","","1.038","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7101607","16.6087","0.0002","8.6239","0.0001","19.4116","0.0002","90","","123.823","0.001","90","","2309.81","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl2 N2 O5 -","- C24 H24 Cl2 N2 O5 -","- C96 H96 Cl8 N8 O20 -","4","1","","R.E.Grigg; V.Sridharana; A.M.Derrick; A.Keep; C.Kilner; Christian Lofberg","Sequential One-Pot Bimetallic Ir(III) / Pd(0) Catalysed Mono- / Bis-Alkylation and Spirocyclisation Processes of 1,3-Dimethylbarbituric Acid and Allenes","Chemical Communications","2006","","48","","","10.1039/b614098j","","x-ray","0.71073","MoKα","","0.0564","0.0511","","","0.1473","0.153","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101628","15.626","0.003","16.476","0.003","16.562","0.003","118.31","0.03","117.91","0.03","91.61","0.03","3141.3","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,3,5 benzene tricarboxylic acid acetic acid solvate","1,3,5 benzene tricarboxylic acid acetic acid solvate","","- C29 H22 O20 -","- C6.66667 H2 O4.66667 -","- C120 H36 O84 -","18","9","","Goldberg, Ilana; Bernstein, Joel","Disruption of the hexagonal networks of trimesic acid (benzene-1,3,5-tricarboxylic acid, TMA) by acetic acid.","Chemical communications (Cambridge, England)","2006","","2","132","134","10.1039/b609263b","","","0.71073","MoKα","","0.2786","0.077","","","0.1971","0.3063","","","","","","0.878","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101629","7.83","0.001","21.154","0.002","22.289","0.003","90","","90","","90","","3691.9","0.8","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N4 -","- C21 H20 N4 -","- C168 H160 N32 -","8","1","","Gilroy, Joe B; Ferguson, Michael J; McDonald, Robert; Patrick, Brian O; Hicks, Robin G","Formazans as beta-diketiminate analogues. Structural characterization of boratatetrazines and their reduction to borataverdazyl radical anions.","Chemical communications (Cambridge, England)","2006","","2","126","128","10.1039/b609365e","","","0.71073","MoKα","","0.1413","0.0576","","","0.1341","0.1788","","","","","","1.004","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7101630","11.7762","0.0008","13.4272","0.0009","12.022","0.0008","90","","118.594","0.0012","90","","1669.08","0.19","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(E)-1-((Z)-(4-methylphenyl)(phenylhydrazono)methyl)-2- phenyldiazene","(E)-1-[(Z)-(4-methylphenyl)(phenylhydrazono)methyl]-2-phenyldiazene","","- C20 H18 N4 -","- C20 H18 N4 -","- C80 H72 N16 -","4","1","","Gilroy, Joe B; Ferguson, Michael J; McDonald, Robert; Patrick, Brian O; Hicks, Robin G","Formazans as beta-diketiminate analogues. Structural characterization of boratatetrazines and their reduction to borataverdazyl radical anions.","Chemical communications (Cambridge, England)","2006","","2","126","128","10.1039/b609365e","","","0.71073","MoKα","","0.0742","0.0503","","","0.1224","0.1364","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101631","10.3612","0.0015","14.925","0.002","15.608","0.002","103.098","0.002","97.538","0.003","95.549","0.003","2310.5","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 B N4 O4 -","- C24 H23 B N4 O4 -","- C96 H92 B4 N16 O16 -","4","2","","Gilroy, Joe B; Ferguson, Michael J; McDonald, Robert; Patrick, Brian O; Hicks, Robin G","Formazans as beta-diketiminate analogues. Structural characterization of boratatetrazines and their reduction to borataverdazyl radical anions.","Chemical communications (Cambridge, England)","2006","","2","126","128","10.1039/b609365e","","","0.71073","MoKα","","0.1064","0.0514","","","0.1178","0.146","","","","","","1.003","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7101632","9.8688","0.0013","10.669","0.0014","12.4677","0.0017","87.363","0.002","80.634","0.002","66.5696","0.0018","1188.2","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 B N4 O4 -","- C25 H25 B N4 O4 -","- C50 H50 B2 N8 O8 -","2","1","","Gilroy, Joe B; Ferguson, Michael J; McDonald, Robert; Patrick, Brian O; Hicks, Robin G","Formazans as beta-diketiminate analogues. Structural characterization of boratatetrazines and their reduction to borataverdazyl radical anions.","Chemical communications (Cambridge, England)","2006","","2","126","128","10.1039/b609365e","","","0.71073","MoKα","","0.0468","0.0394","","","0.1059","0.1117","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101633","25.1875","0.001","19.9932","0.0005","47.964","0.002","90","","103.885","0.003","90","","23447.9","1.5","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H173 Ge10 Li O4 Si19 -","- C64 H173 Ge10 Li O4 Si19 -","- C512 H1384 Ge80 Li8 O32 Si152 -","8","1","","Schnepf, Andreas","{Ge10Si[Si(SiMe3)3]4(SiMe32)Me}-: a Ge10Si framework reveals a structural transition onto elemental germanium.","Chemical communications (Cambridge, England)","2006","","2","192","194","10.1039/b611165c","","","0.71073","MoKα","","0.0962","0.0556","","","0.1285","0.1481","","","","","","1.021","","","","has coordinates,has disorder","180118","2020-10-21","18:00:00",""
"7101634","13.672","0.0004","19.608","0.0006","27.957","0.0009","90","","103.635","0.001","90","","7283.5","0.4","150","","150","","","","","","","","C. Milios, CM1691","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H74.5 Mn4 N11.5 O16 -","- C64 H60 Mn4 N8 O16 -","- C256 H240 Mn16 N32 O64 -","4","1","","Milios, Constantinos J; Prescimone, Alessandro; Mishra, Abhudaya; Parsons, Simon; Wernsdorfer, Wolfgang; Christou, George; Perlepes, Spyros P; Brechin, Euan K","A rare ferromagnetic manganese(III) 'cube'.","Chemical communications (Cambridge, England)","2006","","2","153","155","10.1039/b611174b","","","0.71073","MoKα","","0.083","0.0465","","0.054","0.0475","0.0475","","","","","","1.1297","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7101635","11.6159","0.0007","13.3036","0.0007","17.1405","0.001","98.473","0.001","90.437","0.001","104.37","0.001","2535.2","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C47.4 H39 Cl0.6 N2.4 O9.4 P2 Ru3 Si -","- C47.4 H39 Cl0.6 N2.4 O9.4 P2 Ru3 Si -","- C94.8 H78 Cl1.2 N4.8 O18.8 P4 Ru6 Si2 -","2","1","","Belletti, Daniele; Braunstein, Pierre; Messaoudi, Abdelatif; Pattacini, Roberto; Predieri, Giovanni; Tiripicchio, Antonio","Trapping a pseudo-Hofmann rearrangement on a ruthenium cluster.","Chemical communications (Cambridge, England)","2006","","2","141","143","10.1039/b611338a","","x-ray","0.71073","MoKα","","0.0799","0.038","","","0.0536","0.0584","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101636","11.608","0.003","13.277","0.003","17.196","0.003","81.92","0.003","89.945","0.003","76.225","0.003","2547.1","1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C47.5 H43 Cl N2 O9.5 P2 Ru3 Si -","- C47.5 H39 Cl N2 O9.5 P2 Ru3 Si -","- C95 H78 Cl2 N4 O19 P4 Ru6 Si2 -","2","1","","Belletti, Daniele; Braunstein, Pierre; Messaoudi, Abdelatif; Pattacini, Roberto; Predieri, Giovanni; Tiripicchio, Antonio","Trapping a pseudo-Hofmann rearrangement on a ruthenium cluster.","Chemical communications (Cambridge, England)","2006","","2","141","143","10.1039/b611338a","","x-ray","0.71073","MoKα","","0.0539","0.035","","","0.0843","0.0883","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101637","15.1926","0.0014","11.0971","0.001","15.5763","0.0014","90","","111.215","0.002","90","","2448.1","0.4","396","2","396","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 Cl N7 O3 -","- C20 H42 Cl N7 O3 -","- C80 H168 Cl4 N28 O12 -","4","1","","Leonard, Joseph P; dos Santos, Cidalia M G; Plush, Sally E; McCabe, Thomas; Gunnlaugsson, Thorfinnur","pH driven self-assembly of a ternary lanthanide luminescence complex: the sensing of anions using a beta-diketonate-Eu(III) displacement assay.","Chemical communications (Cambridge, England)","2006","","2","129","131","10.1039/b611487c","","","0.71073","MoKα","","0.0554","0.0477","","","0.1195","0.1247","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101638","13.538","0.005","14.98","0.003","5.438","0.002","90","","99.622","0.012","90","","1087.4","0.6","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H9 Mo N Na2 O9 -","- C4 H9 Mo N Na2 O9 -","- C16 H36 Mo4 N4 Na8 O36 -","4","0.5","","Khatua, Snehadrinarayan; Roy, Debesh R; Chattaraj, Pratim K; Bhattacharjee, Manish","Synthesis and structure of 1-D Na6 cluster chain with short Na-Na distance: organic like aromaticity in inorganic metal cluster.","Chemical communications (Cambridge, England)","2006","","2","135","137","10.1039/b611693k","","","0.71073","MoKα","","0.0304","0.0302","","","0.0822","0.0823","","","","","","1.047","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7111498","13.248","0.003","14.676","0.003","15.028","0.003","64.96","0.03","82.4","0.03","82.83","0.03","2616.3","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 Fe2 N2 O6 P2 S2 -","- C18 H26 Fe2 N2 O6 P2 S2 -","- C72 H104 Fe8 N8 O24 P8 S8 -","4","2","","Dong, Weibing; Wang, Mei; Liu, Xiaoyang; Jin, Kun; Li, Guanghua; Wang, Fujun; Sun, Licheng","An insight into the protonation property of a diiron azadithiolate complex pertinent to the active site of Fe-only hydrogenases","Chemical Communications","2006","","3","305","307","10.1039/b513270c","","","0.71073","MoKα","","0.0818","0.0485","","","0.1174","0.1383","","","","","","1.061","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111499","11.307","0.0006","14.1755","0.0005","18.9123","0.0009","90","","104.846","0.003","90","","2930.1","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 F6 Fe2 N2 O6 P3 S2 -","- C18 H27 F6 Fe2 N2 O6 P3 S2 -","- C72 H108 F24 Fe8 N8 O24 P12 S8 -","4","1","","Dong, Weibing; Wang, Mei; Liu, Xiaoyang; Jin, Kun; Li, Guanghua; Wang, Fujun; Sun, Licheng","An insight into the protonation property of a diiron azadithiolate complex pertinent to the active site of Fe-only hydrogenases","Chemical Communications","2006","","3","305","307","10.1039/b513270c","","","0.71073","MoKα","","0.0968","0.0531","","","0.1382","0.1654","","","","","","0.99","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111500","16.1207","0.0017","16.1229","0.0017","13.1021","0.0014","90","","99.85","0.002","90","","3355.2","0.6","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H3 Cu N2 -","- C3 H3 Cu N2 -","- C96 H96 Cu32 N64 -","32","4","","Zhang, Jie-Peng; Chen, Xiao-Ming","Crystal engineering of binary metal imidazolate and triazolate frameworks","Chemical Communications","2006","","16","1689","1699","10.1039/b516367f","","","0.71073","MoKα","","0.1084","0.0554","","","0.123","0.1463","","","","","","1.002","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111501","12.6609","0.001","12.8921","0.001","14.5868","0.0012","112.056","0.001","103.324","0.002","90.492","0.002","2135.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","t-bu-calix[4]arene menthol","","","- C98 H132 O9 -","- C98 H132 O9 -","- C98 H132 O9 -","1","0.5","","Ripmeester, J. A.; Enright, G. D.; Ratcliffe, C. I.; Udachin, K. A.; Moudrakovski, I. L.","What we have learned from the study of solid p-tert-butylcalix[4]arene compounds","Chemical Communications","2006","","48","4986","4996","10.1039/b605275d","","","0.7107","MoKα","","0.0991","0.0764","","","0.2118","0.2282","","","","","","0.989","","","","has coordinates,has disorder","180229","2020-10-21","18:00:00",""
"7111502","12.7011","0.0019","27.117","0.004","12.7935","0.0019","90","","90.649","0.004","90","","4406","1.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","t-bu-calix[4]arene azobenzene","","","- C50 H61 N O4 -","- C50 H61 N O4 -","- C200 H244 N4 O16 -","4","1","","Ripmeester, J. A.; Enright, G. D.; Ratcliffe, C. I.; Udachin, K. A.; Moudrakovski, I. L.","What we have learned from the study of solid p-tert-butylcalix[4]arene compounds","Chemical Communications","2006","","48","4986","4996","10.1039/b605275d","","","0.7107","MoKα","","0.1877","0.0675","","","0.1023","0.1269","","","","","","0.851","","","","has coordinates,has disorder","180229","2020-10-21","18:00:00",""
"7111503","29.397","0.004","12.4786","0.0017","12.7216","0.0017","90","","90","","90","","4666.7","1.1","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","t-bu-calix[4]arene mesitylene","","","- C53 H68 O4 -","- C53 H68 O4 -","- C212 H272 O16 -","4","1","","Ripmeester, J. A.; Enright, G. D.; Ratcliffe, C. I.; Udachin, K. A.; Moudrakovski, I. L.","What we have learned from the study of solid p-tert-butylcalix[4]arene compounds","Chemical Communications","2006","","48","4986","4996","10.1039/b605275d","","","0.71073","MoKα","","0.1133","0.0704","","","0.1593","0.1764","","","","","","1.064","","","","has coordinates,has disorder","180229","2020-10-21","18:00:00",""
"7111504","8.587","0.003","11.452","0.002","15.08","0.004","90","","90","","90","","1482.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 14","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","Bew, Sean P.; Hughes, David L.; Savic, Vladimir; Soapi, Katy M.; Wilson, Martin A.","Expedient synthesis of substituted (S)-N-(?-methylbenzyl)aziridines","Chemical Communications","2006","","33","3513","3515","10.1039/b606033a","","","0.71069","Mo-Kα","","0.0397","0.0368","","","0.0913","0.0941","","","","","","1.058","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111505","13.081","0.003","20.24","0.004","22.548","0.005","108.83","0.03","105.91","0.03","101.51","0.03","5155","3","140","1","140","1","","","","","","","","4","P -1","-P 1","2","Compound 3","","","- C240 H336 Cd2 N24 -","- C240 H336 Cd2 N24 -","- C240 H336 Cd2 N24 -","1","0.5","","Chambrier, Isabelle; Hughes, David L.; Swarts, Jannie C.; Isare, Benjamin; Cook, Michael J.","First example of a di-cadmium tris-phthalocyanine triple-decker sandwich complex","Chemical Communications","2006","","33","3504","3506","10.1039/b606416g","","","0.71073","Mo-Kα","","0.0991","0.0525","","","0.1105","0.1201","","","","","","0.903","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111506","10.3004","0.0002","23.477","0.0004","19.3077","0.0003","90","","101.189","0.001","90","","4580.29","0.14","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H82 Ce N3 O -","- C47 H82 Ce N3 O -","- C188 H328 Ce4 N12 O4 -","4","1","","Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.","Facile formation of a homoleptic Ce(iv) amide via aerobic oxidation","Chemical Communications","2006","","33","3546","3548","10.1039/b607429d","","x-ray","0.71073","MoKα","","0.0489","0.0317","","","0.063","0.0689","","","","","","1.031","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111507","15.1681","0.0003","19.1024","0.0004","18.1727","0.0003","90","","96.822","0.001","90","","5228.21","0.17","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 Ce Li N4 O -","- C52 H96 Ce Li N4 O -","- C208 H384 Ce4 Li4 N16 O4 -","4","1","","Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.","Facile formation of a homoleptic Ce(iv) amide via aerobic oxidation","Chemical Communications","2006","","33","3546","3548","10.1039/b607429d","","x-ray","0.71073","MoKα","","0.0593","0.0352","","","0.0656","0.073","","","","","","0.997","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111508","21.1876","0.0005","21.1876","0.0005","10.3198","0.0003","90","","90","","90","","4632.7","0.2","173","2","173","2","","","","","","","synthesis as described","4","P -4","P -4","81","","","","- C48 H88 Ce N4 -","- C48 H88 Ce N4 -","- C192 H352 Ce4 N16 -","4","1","","Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.","Facile formation of a homoleptic Ce(iv) amide via aerobic oxidation","Chemical Communications","2006","","33","3546","3548","10.1039/b607429d","","x-ray","0.71073","MoKα","","0.0746","0.0484","","","0.0956","0.106","","","","","","1.006","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111509","25.113","0.004","16.946","0.003","15.33","0.003","90","","126.371","0.003","90","","5253","1.6","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","(Co(OH2)2(bipy)2)(NTf2)2(C4mim)(NTf2)","","","- C34 H35 Co F18 N9 O14 S6 -","- C34 H31 Co F18 N9 O14 S6 -","- C136 H124 Co4 F72 N36 O56 S24 -","4","1","","Reichert, W. Matthew; Holbrey, John D.; Vigour, Kate B.; Morgan, Tonya D.; Broker, Grant A.; Rogers, Robin D.","Approaches to crystallization from ionic liquids: complex solvents?complex results, or, a strategy for controlled formation of new supramolecular architectures?","Chemical Communications","2006","","46","4767","","10.1039/b608496f","","","0.71073","MoKα","","0.0581","0.0464","","","0.1147","0.1217","","","","","","1.034","","","","has coordinates,has disorder","180229","2020-10-21","18:00:00",""
"7111510","8.523","0.002","7.595","0.002","10.564","0.003","90","","91.224","0.005","90","","683.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Pd(pyriimdine)2)(OCOCH3)2","","","- C12 H14 N4 O4 Pd -","- C12 H14 N4 O4 Pd -","- C24 H28 N8 O8 Pd2 -","2","0.5","","Reichert, W. Matthew; Holbrey, John D.; Vigour, Kate B.; Morgan, Tonya D.; Broker, Grant A.; Rogers, Robin D.","Approaches to crystallization from ionic liquids: complex solvents?complex results, or, a strategy for controlled formation of new supramolecular architectures?","Chemical Communications","2006","","46","4767","","10.1039/b608496f","","","0.71073","MoKα","","0.027","0.026","","","0.0717","0.073","","","","","","1.022","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111511","8.439","0.006","29.12","0.02","10.064","0.008","90","","113.611","0.012","90","","2266","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Ag(CH3CN)(bipy))(NTf2)*CH3CN","","","- C16 H14 Ag F6 N5 O4 S2 -","- C16 H14 Ag F6 N5 O4 S2 -","- C64 H56 Ag4 F24 N20 O16 S8 -","4","1","","Reichert, W. Matthew; Holbrey, John D.; Vigour, Kate B.; Morgan, Tonya D.; Broker, Grant A.; Rogers, Robin D.","Approaches to crystallization from ionic liquids: complex solvents?complex results, or, a strategy for controlled formation of new supramolecular architectures?","Chemical Communications","2006","","46","4767","","10.1039/b608496f","","","0.71073","MoKα","","0.0293","0.0263","","","0.0621","0.0635","","","","","","1.067","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111512","6.328","0.003","31.404","0.014","24.166","0.011","90","","90","","90","","4802","4","173","2","173","2","","","","","","","","8","P b c m","-P 2c 2b","57","(Ag(pyrimidine)2)3(BF4)(NTf2)2","","","- C28 H24 Ag3 B F16 N14 O8 S4 -","- C28 H24 Ag3 B F16 N14 O8 S4 -","- C112 H96 Ag12 B4 F64 N56 O32 S16 -","4","0.5","","Reichert, W. Matthew; Holbrey, John D.; Vigour, Kate B.; Morgan, Tonya D.; Broker, Grant A.; Rogers, Robin D.","Approaches to crystallization from ionic liquids: complex solvents?complex results, or, a strategy for controlled formation of new supramolecular architectures?","Chemical Communications","2006","","46","4767","","10.1039/b608496f","","","0.71073","MoKα","","0.0821","0.0757","","","0.1473","0.1497","","","","","","1.36","","","","has coordinates,has disorder","180229","2020-10-21","18:00:00",""
"7113331","8.88461","0.00005","8.88461","","8.88461","","90","","90","","90","","701.318","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","white hackmanite","","","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl1.002 Na4 O12 Si3 -","- Al6 Cl2.004 Na8 O24 Si6 -","2","0.0833333","","Armstrong, Jennifer A.; Weller, Mark T.","Structural observation of photochromism.","Chemical communications (Cambridge, England)","2006","","10","1094","1096","10.1039/b517715d","powder diffraction","","","","","","","","","","","","","7.18","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113333","7.9751","0.0004","12.3703","0.0006","12.7345","0.0006","105.832","0.001","97.487","0.001","96.492","0.001","1183.72","0.1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 F6 I N O -","- C24 H27 F6 I N O -","- C48 H54 F12 I2 N2 O2 -","2","1","","Metrangolo, Pierangelo; Präsang, Carsten; Resnati, Giuseppe; Liantonio, Rosalba; Whitwood, Adrian C.; Bruce, Duncan W.","Fluorinated liquid crystals formed by halogen bonding.","Chemical communications (Cambridge, England)","2006","","31","3290","3292","10.1039/b605101d","","","0.71073","MoKα","","0.0259","0.0236","","","0.0587","0.0598","","","","","","1.049","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113334","17.003","0.004","11.331","0.004","21.365","0.007","90","","90","","90","","4116","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O2 S -","- C23 H27 N O2 S -","- C184 H216 N8 O16 S8 -","8","1","","Weston, Mitchell H.; Nakajima, Katsumasa; Parvez, Masood; Back, Thomas G.","Ring-expansion of tertiary cyclic alpha-vinylamines by tandem conjugate addition to (p-toluenesulfonyl)ethyne and formal 3-aza-Cope rearrangement.","Chemical communications (Cambridge, England)","2006","","37","3903","3905","10.1039/b607713g","","","0.71073","MoKα","","0.061","0.043","","","0.1052","0.1181","","","","","","0.985","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113335","33.022","0.007","13.987","0.003","26.107","0.005","90","","95.24","0.03","90","","12008","4","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H80 F24 N8 O24 Pt4 S20 -","- C72 H80 F24 N8 O24 Pt4 S20 -","- C288 H320 F96 N32 O96 Pt16 S80 -","4","0.5","","Janzen, Daron E.; Patel, Ketankumar N.; VanDerveer, Donald G.; Grant, Gregory J.","Synthesis and structure of a platinum(II) molecular square incorporating four fluxional thiacrown ligands: The crystal structure of [Pt4([9]aneS3)4(4,4'-bipy)4](OTf)8.","Chemical communications (Cambridge, England)","2006","","33","3540","3542","10.1039/b606753k","","","0.71073","MoKα","","0.0907","0.078","","","0.2006","0.21","","","","","","1.076","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113336","13.3756","0.0018","12.096","0.0014","16.498","0.002","90","","110.314","0.003","90","","2503.2","0.5","295","2","295","2","","","","","","","Synthesis","6","P 1 2/n 1","-P 2yac","13","","","","- C50 H48 Mn N10 O4 S2 -","- C50 H48 Mn N10 O4 S2 -","- C100 H96 Mn2 N20 O8 S4 -","2","0.5","","Briceño, Alexander; Leal, Dayana; Atencio, Reinaldo; Díaz de Delgado, Graciela","Supramolecular isomerism in multivalent metal-templated assemblies with topochemical influence in the regioselective synthesis of tetrakis(2-pyridyl)cyclobutane isomers.","Chemical communications (Cambridge, England)","2006","","33","3534","3536","10.1039/b606673a","","","0.7107","MoKα","","0.0995","0.067","","","0.1635","0.1817","","","","","","1.098","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113337","10.68","0.0014","10.1327","0.0013","23.011","0.003","90","","92.672","0.004","90","","2487.5","0.6","295","2","295","2","","","","","","","Synthesis","6","P 1 21/n 1","-P 2yn","14","Compound-Mn","Compound-Mn","","- C50 H48 Mn N10 O4 S2 -","- C50 H48 Mn N10 O4 S2 -","- C100 H96 Mn2 N20 O8 S4 -","2","0.5","","Briceño, Alexander; Leal, Dayana; Atencio, Reinaldo; Díaz de Delgado, Graciela","Supramolecular isomerism in multivalent metal-templated assemblies with topochemical influence in the regioselective synthesis of tetrakis(2-pyridyl)cyclobutane isomers.","Chemical communications (Cambridge, England)","2006","","33","3534","3536","10.1039/b606673a","","","0.7107","MoKα","","0.0937","0.0684","","","0.1719","0.1934","","","","","","1.046","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113338","10.6357","0.001","10.1079","0.0009","22.888","0.002","90","","92.203","0.003","90","","2458.7","0.4","295","2","295","2","","","","","","","Synthesis","6","P 1 21/n 1","-P 2yn","14","Compound-Co","Compound-Co","","- C50 H48 Co N10 O4 S2 -","- C50 H48 Co N10 O4 S2 -","- C100 H96 Co2 N20 O8 S4 -","2","0.5","","Briceño, Alexander; Leal, Dayana; Atencio, Reinaldo; Díaz de Delgado, Graciela","Supramolecular isomerism in multivalent metal-templated assemblies with topochemical influence in the regioselective synthesis of tetrakis(2-pyridyl)cyclobutane isomers.","Chemical communications (Cambridge, England)","2006","","33","3534","3536","10.1039/b606673a","","","0.7107","MoKα","","0.0977","0.0684","","","0.1715","0.1938","","","","","","1.038","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113339","15.6498","0.0009","15.6498","0.0009","16.1138","0.0009","90","","90","","90","","3946.5","0.4","295","2","295","2","","","","","","","Synthesis","3","P -4 21 c","P -4 2n","114","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C192 H160 N32 -","8","1","","Briceño, Alexander; Leal, Dayana; Atencio, Reinaldo; Díaz de Delgado, Graciela","Supramolecular isomerism in multivalent metal-templated assemblies with topochemical influence in the regioselective synthesis of tetrakis(2-pyridyl)cyclobutane isomers.","Chemical communications (Cambridge, England)","2006","","33","3534","3536","10.1039/b606673a","","","0.7107","MoKα","","0.0872","0.0594","","","0.1301","0.145","","","","","","1.11","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113340","20.381","0.002","19.5758","0.0018","23.321","0.002","90","","108.829","0.002","90","","8806.6","1.4","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,3,6,7,11,12,15,16,20,21,24,25,29,30,33,34-hexadecaethyl- 9,18,27, 36-tetraphenyl(32)octaphyrin-(1.0.1.0.1.0.1.0)","2,3,6,7,11,12,15,16,20,21,24,25,29,30,33,34-hexadecaethyl-9,18,27, 36-tetraphenyl[32]octaphyrin-(1.0.1.0.1.0.1.0)","","- C100 H124 N8 O2 -","- C100 H124 N8 O2 -","- C400 H496 N32 O8 -","4","0.5","","Lintuluoto, Juha M.; Nakayama, Kana; Setsune, Jun-ichiro","Direct determination of absolute configuration of carboxylic acids by cyclooctapyrrole.","Chemical communications (Cambridge, England)","2006","","33","3492","3494","10.1039/b606228h","","","0.71073","MoKα","","0.1518","0.0781","","","0.2045","0.251","","","","","","0.992","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113341","9.895","0.001","9.943","0.0008","18.034","0.0018","105.747","0.005","93.344","0.004","110.354","0.005","1578","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H57 Si -","- C33 H57 Si -","- C66 H114 Si2 -","2","1","","Jutzi, Peter; Mix, Andreas; Neumann, Beate; Rummel, Britta; Stammler, Hans-Georg","Novel pi-complexes of divalent silicon: mixed substituted neutral sandwich compounds and the half-sandwich cation (iPr5C5)Si+.","Chemical communications (Cambridge, England)","2006","","33","3519","3521","10.1039/b607236d","","","0.71073","MoKα","","0.126","0.0689","","","0.1468","0.1738","","","","","","1.022","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113342","10.239","0.0014","15.481","0.005","15.979","0.0017","92.105","0.018","90.523","0.011","102.87","0.02","2467.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H35 Al F36 O4 Si -","- C36 H35 Al F36 O4 Si -","- C72 H70 Al2 F72 O8 Si2 -","2","1","","Jutzi, Peter; Mix, Andreas; Neumann, Beate; Rummel, Britta; Stammler, Hans-Georg","Novel pi-complexes of divalent silicon: mixed substituted neutral sandwich compounds and the half-sandwich cation (iPr5C5)Si+.","Chemical communications (Cambridge, England)","2006","","33","3519","3521","10.1039/b607236d","","","0.71073","MoKα","","0.2204","0.1006","","","0.2243","0.279","","","","","","1.011","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113343","10.99","0.004","18.366","0.009","15.123","0.004","90","","96.53","0.02","90","","3033","2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C144 H136 N24 O8 -","8","2","","Evans, Louise S.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Anion binding vs. deprotonation in colorimetric pyrrolylamidothiourea based anion sensors.","Chemical communications (Cambridge, England)","2006","","9","965","967","10.1039/b517308f","","","0.71073","MoKα","","0.233","0.0685","","","0.1249","0.1765","","","","","","0.941","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113344","22.9059","0.0019","8.5806","0.0007","40.738","0.003","90","","93.308","0.002","90","","7993.6","1.1","120","2","120","2","","","","","","","Roberto Quesada","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H56 N6 O3 S -","- C41 H56 N6 O3 S -","- C328 H448 N48 O24 S8 -","8","2","","Evans, Louise S.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Anion binding vs. deprotonation in colorimetric pyrrolylamidothiourea based anion sensors.","Chemical communications (Cambridge, England)","2006","","9","965","967","10.1039/b517308f","","","0.6814","synchrotron","","0.1344","0.0901","","","0.2368","0.2735","","","","","","1.042","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113345","18.021","0.0004","8.0777","0.0002","16.7769","0.0004","90","","115.523","0.001","90","","2203.86","0.09","120","2","120","2","","","","","","","Roberto Quesada","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N5 O4 -","- C25 H21 N5 O4 -","- C100 H84 N20 O16 -","4","1","","Evans, Louise S.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Anion binding vs. deprotonation in colorimetric pyrrolylamidothiourea based anion sensors.","Chemical communications (Cambridge, England)","2006","","9","965","967","10.1039/b517308f","","","0.71073","MoKα","","0.0834","0.0548","","","0.1218","0.1352","","","","","","1.04","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7117497","12.80654","","12.80654","","12.80654","","90","","90","","90","","2100.37","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Li5 La3 Ta2 O12","","- La3 Li5 O12 Ta2 -","- La3 Li5.004 O12 Ta2 -","- La24 Li40.032 O96 Ta16 -","8","0.0833333","","Cussen, E.J.","The structure of lithium garnets: cation disorder and clustering in a new family of fast Li(+) conductors","Chemical Communications","2006","2006","","412","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","150629","2020-10-21","18:00:00",""
"7117498","12.79432","","12.79432","","12.79432","","90","","90","","90","","2094.36","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Li5 La3 Nb2 O12","","- La3 Li5 Nb2 O12 -","- La3 Li4.992 Nb2 O12 -","- La24 Li39.936 Nb16 O96 -","8","0.0833333","","Cussen, E.J.","The structure of lithium garnets: cation disorder and clustering in a new family of fast Li(+) conductors","Chemical Communications","2006","2006","","412","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","150630","2020-10-21","18:00:00",""
"7117503","8.42811","","8.42811","","8.42811","","90","","90","","90","","598.674","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Y Ta O6","","- Ba2 O6 Ta Y -","- Ba2 O6 Ta Y -","- Ba8 O24 Ta4 Y4 -","4","0.0208333","","Lufaso, M.W.; Macquart, R.B.; Lee, Y.; Vogt, T.; zur Loye, H.C.","Pressure induced octahedral tilting distortion in Ba2 Y Ta O6","Chemical Communications","2006","2006","","168","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117504","5.8851","","5.8851","","8.3474","","90","","90","","90","","289.107","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba2 Y Ta O6","","- Ba2 O6 Ta Y -","- Ba2 O6 Ta Y -","- Ba4 O12 Ta2 Y2 -","2","0.125","","Lufaso, M.W.; Vogt, T.; Lee, Y.; Macquart, R.B.; zur Loye, H.C.","Pressure induced octahedral tilting distortion in Ba2 Y Ta O6","Chemical Communications","2006","2006","","168","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7150384","11.234","0.0002","16.394","0.0002","20.993","0.0003","90","","90","","90","","3866.28","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 N5 O6 S -","- C38 H53 N5 O6 S -","- C152 H212 N20 O24 S4 -","4","1","","Nyangulu, James M.; Nelson, Ken M.; Rose, Patricia A.; Gai, Yuanzhu; Loewen, Mary; Lougheed, Brenda; Quail, J. Wilson; Cutler, Adrian J.; Abrams, Suzanne R.","Synthesis and biological activity of tetralone abscisic acid analogues.","Organic & biomolecular chemistry","2006","4","7","1400","1412","10.1039/b509193d","","","0.71073","MoKα","","0.0541","0.042","","","0.0932","0.0992","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150385","14.7325","0.0004","15.2366","0.0002","19.0213","0.0003","90","","90","","90","","4269.77","0.15","293","","293.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C93 H82 Cl4 Cu2 N4 O8 -","- C93 H82 Cl4 Cu2 N4 O8 -","- C186 H164 Cl8 Cu4 N8 O16 -","2","0.5","","Lyle, Michael P. A.; Draper, Neil D.; Wilson, Peter D.","Synthesis and evaluation of new chiral nonracemic C2-symmetric and unsymmetric 2,2'-bipyridyl ligands.","Organic & biomolecular chemistry","2006","4","5","877","885","10.1039/b513286j","","","1.5418","Copper","","0.0658","0.0532","","0.1033","0.075","0.075","","","","","","0.6013","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150386","13.47","0.05","10.86","0.04","21.4","0.1","90","","90","","90","","3130","2","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C152 H144 O32 -","8","1","","Cousin, David; Mann, John; Nieuwenhuyzen, Mark; van den Berg, Hendrik","A new approach to combretastatin D2.","Organic & biomolecular chemistry","2006","4","1","54","62","10.1039/b513515j","","","0.71073","MoKα","","0.3103","0.1041","","","0.2006","0.2935","","","","","","0.843","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150387","16.6913","0.0012","13.6741","0.0007","15.0144","0.0009","90","","91.6","0.008","90","","3425.5","0.4","200","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 F6 N3 O2 P -","- C36 H42 F6 N3 O2 P -","- C144 H168 F24 N12 O8 P4 -","4","1","","Mobian, Pierre; Banerji, Natalie; Bernardinelli, Gérald; Lacour, Jérôme","Towards the stereoselective synthesis of inherently chiral pseudorotaxanes.","Organic & biomolecular chemistry","2006","4","2","224","231","10.1039/b513562a","","","0.71073","MoKα","","","0.042","","","","0.037","","","","","","1.03","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150388","12.902","0.003","12.479","0.003","15.918","0.004","90","","100.206","0.004","90","","2522.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N9 O2 -","- C27 H25 N9 O2 -","- C108 H100 N36 O8 -","4","1","","Zhao, Jun-Feng; Xie, Chang; Xu, Sheng-Zhen; Ding, Ming-Wu; Xiao, Wen-Jing","Iminophosphorane-mediated efficient synthesis of new tricyclic 3,5-dihydro-1,2,3-triazolo[4,5-d]-1,2,4-triazolo[1,5-a]pyrimidin-9-ones.","Organic & biomolecular chemistry","2006","4","1","130","134","10.1039/b513715b","","","0.71073","MoKα","","0.1382","0.0738","","","0.1508","0.1785","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150389","12.895","0.003","9.91","0.002","13.175","0.003","90","","90.54","0.03","90","","1683.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl2 N O3 -","- C19 H13 Cl2 N O3 -","- C76 H52 Cl8 N4 O12 -","4","1","","Zhang, Min; An, Hui-Ying; Zhao, Bao-Guo; Xu, Jian-Hua","Aromatic annulation strategy for naphthalenes fused at 1,2- and 3,4-positions with two heterocycles.","Organic & biomolecular chemistry","2006","4","1","33","35","10.1039/b514496e","","","0.71073","MoKα","","0.0926","0.0536","","","0.1931","0.2266","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150390","9.526","0.0019","18.319","0.004","7.942","0.0016","90","","96.25","0.03","90","","1377.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 N O3 -","- C19 H11 N O3 -","- C76 H44 N4 O12 -","4","1","","Zhang, Min; An, Hui-Ying; Zhao, Bao-Guo; Xu, Jian-Hua","Aromatic annulation strategy for naphthalenes fused at 1,2- and 3,4-positions with two heterocycles.","Organic & biomolecular chemistry","2006","4","1","33","35","10.1039/b514496e","","","0.71073","MoKα","","0.1278","0.0551","","","0.1188","0.1572","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150391","10.5068","0.0003","12.0843","0.0003","21.5489","0.0007","90","","102.703","0.001","90","","2669.04","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 B2 F8 N6 O12 -","- C48 H58 B2 F8 N6 O12 -","- C96 H116 B4 F16 N12 O24 -","2","0.5","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1768","0.0824","","","0.21","0.2529","","","","","","0.939","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150392","12.2482","0.0007","37.03","0.002","13.0751","0.0007","90","","111.498","0.002","90","","5517.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 B2 F8 N6 O12 -","- C56 H62 B2 F8 N6 O12 -","- C224 H248 B8 F32 N24 O48 -","4","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1529","0.1121","","","0.2105","0.2335","","","","","","1.157","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150393","11.67","0.0009","13.1966","0.001","17.1182","0.0013","91.475","0.002","96.658","0.002","91.858","0.002","2616","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H60 B2 F8 N4 O12 -","- C50 H60 B2 F8 N4 O12 -","- C100 H120 B4 F16 N8 O24 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.0938","0.0713","","","0.1957","0.2168","","","","","","1.039","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150394","12.3959","0.0008","19.1294","0.0012","12.9148","0.0008","90","","112.855","0.001","90","","2822","0.3","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C58 H64 B2 F8 N4 O12 -","- C58 H64 B2 F8 N4 O12 -","- C116 H128 B4 F16 N8 O24 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1284","0.095","","","0.2081","0.2236","","","","","","1.117","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150395","13.2421","0.0004","15.7037","0.0005","12.1739","0.0004","90","","94.909","0.001","90","","2522.28","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H60 B2 F8 N4 O12 -","- C46 H60 B2 F8 N4 O12 -","- C92 H120 B4 F16 N8 O24 -","2","0.5","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1625","0.094","","","0.2672","0.3025","","","","","","1.045","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150396","9.3357","0.0001","22.4319","0.0003","25.0932","0.0002","90","","90","","90","","5254.95","0.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H60 B2 F8 N4 O16 -","- C44 H60 B2 F8 N4 O16 -","- C176 H240 B8 F32 N16 O64 -","4","0.5","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1786","0.1437","","","0.2894","0.3084","","","","","","1.293","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150397","10.4924","0.0006","16.5364","0.001","10.7738","0.0006","90","","96.584","0.001","90","","1857","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H50 B2 F8 N2 O10 -","- C30 H50 B2 F8 N2 O10 -","- C60 H100 B4 F16 N4 O20 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.0891","0.0807","","","0.2265","0.2357","","","","","","1.083","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150398","17.433","0.005","20.012","0.005","19.631","0.005","90","","93.572","0.004","90","","6835","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 B2 F8 N2 O8 -","- C28 H46 B2 F8 N2 O8 -","- C224 H368 B16 F64 N16 O64 -","8","2","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1374","0.0684","","","0.1509","0.1851","","","","","","1.024","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150399","13.598","0.002","16.807","0.003","17.859","0.003","87.625","0.003","87.329","0.003","70.059","0.002","3831.2","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H82 B4 F16 N8 O9 -","- C76 H82 B4 F16 N8 O9 -","- C152 H164 B8 F32 N16 O18 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1889","0.1039","","","0.2836","0.3487","","","","","","1.039","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150400","7.332","0.0014","8.9703","0.0018","14.588","0.003","73.464","0.004","84.582","0.003","77.268","0.003","896.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C42 H54 N2 O4 -","2","1","","Betson, Mark S.; Clayden, Jonathan; Helliwell, Madeleine; Johnson, Paul; Lai, Lai Wah; Pink, Jennifer H.; Stimson, Christopher C.; Vassiliou, Neoclis; Westlund, Neil; Yasin, Samreen A.; Youssef, Latifa H.","Conformational preference in aromatic amides bearing chiral ortho substituents: its origin and application to relayed stereocontrol.","Organic & biomolecular chemistry","2006","4","3","424","443","10.1039/b514557k","","","0.71073","MoKα","","0.0658","0.0405","","","0.0814","0.0875","","","","","","0.892","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150401","10.547","0.008","12.605","0.005","12.023","0.004","90","","96.44","0.04","90","","1588.3","1.5","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 N3 O3 -","- C31 H45 N3 O3 -","- C62 H90 N6 O6 -","2","1","","Betson, Mark S.; Clayden, Jonathan; Helliwell, Madeleine; Johnson, Paul; Lai, Lai Wah; Pink, Jennifer H.; Stimson, Christopher C.; Vassiliou, Neoclis; Westlund, Neil; Yasin, Samreen A.; Youssef, Latifa H.","Conformational preference in aromatic amides bearing chiral ortho substituents: its origin and application to relayed stereocontrol.","Organic & biomolecular chemistry","2006","4","3","424","443","10.1039/b514557k","","","1.5418","CuKα","","0.0981","0.05","","","0.1283","0.1645","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150402","14.361","0.003","7.2093","0.0013","31.922","0.005","90","","92.459","0.014","90","","3301.9","1","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H45 N3 O3 -","- C35 H45 N3 O3 -","- C140 H180 N12 O12 -","4","1","","Clayden, Jonathan; Foricher, Yann J. Y.; Helliwell, Madeleine; Johnson, Paul; Mitjans, David; Vinader, Victoria","Conformational arm-wrestling: battles for stereochemical control in benzamides bearing matched and mismatched chiral 2- and 6-substituents.","Organic & biomolecular chemistry","2006","4","3","444","454","10.1039/b514558a","","","1.5418","CuKα","","0.0858","0.0486","","","0.1245","0.1425","","","","","","1.028","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150403","7.626","0.004","20.455","0.004","19.1","0.006","90","","93.27","0.04","90","","2974.6","1.9","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 N3 O2 -","- C33 H45 N3 O2 -","- C132 H180 N12 O8 -","4","1","","Clayden, Jonathan; Westlund, Neil; Frampton, Christopher S.; Helliwell, Madeleine","Diastereoselective synthesis of atropisomers containing two non-biaryl stereogenic axes: stereochemical relay through stereogenic centres in dihydrostilbene-2,2'-dicarboxamides.","Organic & biomolecular chemistry","2006","4","3","455","461","10.1039/b514561a","","","1.5418","CuKα","","0.0733","0.0396","","0.0374","0.0339","","","","1.773","1.986","1.986","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7150404","15.179","0.003","7.728","0.002","28.337","0.006","90","","90","","90","","3324","1.3","123","1","123","1","","","","","","","","4","P n a 21","P 2c -2n","33","RWX0315/Wilson/NW-G020/5107/25-9-98.","","","- C38 H51 N3 O2 -","- C37.5 H47 N2.5 O2 -","- C150 H188 N10 O8 -","4","1","","Clayden, Jonathan; Westlund, Neil; Frampton, Christopher S.; Helliwell, Madeleine","Diastereoselective synthesis of atropisomers containing two non-biaryl stereogenic axes: stereochemical relay through stereogenic centres in dihydrostilbene-2,2'-dicarboxamides.","Organic & biomolecular chemistry","2006","4","3","455","461","10.1039/b514561a","","","0.71073","MoKα","","0.0524","0.0442","","","0.1178","0.1249","","","","","","1.033","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150405","18.4408","0.0021","5.2153","0.0006","24.8543","0.0028","90","","98.765","0.002","90","","2362.4","0.5","20","","20","","","","","","","","Sigma Aldrich","4","C 1 2 1","C 2y","5","L-Alanyl-L-alanyl-L-alanine","L-Alanyl-L-alanyl-L-alanine","","- C9 H18 N3 O4.5 -","- C9 H18 N3 O4.25 -","- C72 H144 N24 O34 -","8","2","","Rödel, E; Messerschmidt, M.; Dittrich, B.; Luger, P.","Atomic and bond topological properties of the tripeptide L-alanyl-L-alanyl-L-alanine based on its experimental charge density obtained at 20 K.","Organic & biomolecular chemistry","2006","4","3","475","481","10.1039/b514717d","","x-ray","0.71073","MoKa","","0.0247","0.0183","","","","0.0153","","","","","","0.665","","","","has coordinates","192340","2020-10-21","18:00:00",""
"7150406","4.8305","0.0008","13.532","0.002","26.21","0.004","90","","90","","90","","1713.3","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 Se -","- C18 H19 N O3 Se -","- C72 H76 N4 O12 Se4 -","4","1","","Fenner, Tahli; White, Jonathan M.; Schiesser, Carl H.","Preparation of 2,3-dihydroselenolo[2,3-b]pyridines and related compounds by free-radical means.","Organic & biomolecular chemistry","2006","4","3","466","474","10.1039/b515385a","","","0.71073","MoKα","","0.0643","0.0408","","","0.0745","0.0791","","","","","","0.81","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150407","22.4722","0.0003","7.8727","0.0001","19.961","0.0002","90","","112.178","0.001","90","","3270.17","0.07","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 N O3 S -","- C16 H23 N O3 S -","- C128 H184 N8 O24 S8 -","8","1","","Cariou, Claire A. M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations.","Organic & biomolecular chemistry","2006","4","1","51","53","10.1039/b515547a","","","1.54178","CuKα","","0.0423","0.0392","","","0.1123","0.115","","","","","","1.09","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150408","8.4757","0.0001","19.208","0.0003","11.8021","0.0002","90","","97.964","0.001","90","","1902.87","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N O3 S -","- C18 H27 N O3 S -","- C72 H108 N4 O12 S4 -","4","2","","Cariou, Claire A. M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations.","Organic & biomolecular chemistry","2006","4","1","51","53","10.1039/b515547a","","","1.54178","CuKα","","0.0413","0.0374","","","0.0998","0.1035","","","","","","1.031","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150409","11.9328","0.0002","11.9328","0.0002","20.0477","0.0005","90","","90","","120","","2472.18","0.09","120","2","120","2","","","","","","","","5","P 63","P 6c","173","","","","- C47 H42 F18 N7 P3 -","- C46.99 H39 F18 N6.99 P3 -","- C93.98 H78 F36 N13.98 P6 -","2","0.333333","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.0479","0.0396","","","0.0949","0.0993","","","","","","1.068","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150410","11.1149","0.0015","30.678","0.003","15.2165","0.0019","90","","90.413","0.005","90","","5188.4","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 F18 N6 O4 P3 -","- C45 H45 F18 N6 O3 P3 -","- C180 H180 F72 N24 O12 P12 -","4","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.2538","0.1203","","","0.279","0.355","","","","","","1.015","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150411","9.8279","0.0002","30.0349","0.001","20.0581","0.0006","90","","99.28","0.002","90","","5843.3","0.3","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H64 F12 N6 O7 P2 -","- C60 H64 F12 N6 O7 P2 -","- C240 H256 F48 N24 O28 P8 -","4","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.0681","0.0515","","","0.1123","0.121","","","","","","1.006","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150412","10.8286","0.0008","18.3316","0.0012","24.2103","0.0014","90","","100.766","0.003","90","","4721.3","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trisester","","","- C41 H50 Br3 Cl6 N3 O6 -","- C41 H50 Br3 Cl6 N3 O6 -","- C164 H200 Br12 Cl24 N12 O24 -","4","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.1347","0.0785","","","0.1575","0.1764","","","","","","1.036","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150413","10.6106","0.0004","12.4052","0.0005","20.5253","0.0005","82.503","0.002","78.979","0.002","72.937","0.002","2527.14","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H60 Br3 N6 O4.5 -","- C48 H60 Br3 N6 O4.5 -","- C96 H120 Br6 N12 O9 -","2","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.1047","0.074","","","0.1788","0.1982","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150414","16.07","0.02","8.501","0.008","17","0.03","90","","104.48","0.11","90","","2249","5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 N3 O3 -","- C23 H31 N3 O3 -","- C92 H124 N12 O12 -","4","1","","Matsuhira, Takashi; Yamamoto, Hitoshi; Onoda, Akira; Okamura, Taka-Aki; Ueyama, Norikazu","Photoinduced switching of intramolecular hydrogen bond between amide NH and carboxyl oxygen.","Organic & biomolecular chemistry","2006","4","7","1338","1342","10.1039/b516049a","","","0.71075","MoKα","","0.1971","0.059","","","0.0875","0.1029","","","","","","0.858","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150415","5.104","0.0015","9.469","0.003","13.78","0.004","80.141","0.005","86.042","0.005","89.932","0.005","654.5","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-betaAla-NHMe","","","- C10 H20 N2 O3 -","- C10 H20 N2 O3 -","- C20 H40 N4 O6 -","2","2","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0544","0.0494","","","0.1359","0.1403","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150416","8.73","0.002","9.741","0.003","17.509","0.005","90","","90","","90","","1488.9","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-NHMe","","","- C12 H24 N2 O3 -","- C12 H24 N2 O3 -","- C48 H96 N8 O12 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0511","0.0483","","","0.1326","0.1355","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150417","20.536","0.012","5.165","0.003","16.872","0.01","90","","109.824","0.009","90","","1683.5","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Boc-betaPhe-NHMe","","","- C16 H24 N2 O3 -","- C16 H24 N2 O3 -","- C64 H96 N8 O12 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.121","0.0909","","","0.1912","0.2061","","","","","","1.184","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150418","9.3852","0.0017","11.899","0.002","19.199","0.004","90","","90","","90","","2144","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-betaVal-OMe","","","- C18 H34 N2 O5 -","- C18 H34 N2 O5 -","- C72 H136 N8 O20 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0605","0.0585","","","0.1559","0.1574","","","","","","1.307","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150419","5.17","0.004","10.86","0.008","37.3","0.03","90","","90","","90","","2094","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-betaDVal-OMe","","","- C18 H34 N2 O5 -","- C18 H34 N2 O5 -","- C72 H136 N8 O20 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.1091","0.0787","","","0.1588","0.1809","","","","","","1.273","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150420","5.989","0.002","6.651","0.002","8.661","0.003","70.749","0.005","77.415","0.005","86.976","0.005","317.81","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-betaPro-OH","","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C11 H19 N O4 -","1","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0589","0.0566","","","0.1641","0.1666","","","","","","1.122","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150421","7.942","0.0017","13.862","0.003","8.4623","0.0019","90","","90","","90","","931.6","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C40 H48 N16 O4 -","4","1","","Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.","The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.","Organic & biomolecular chemistry","2006","4","9","1723","1729","10.1039/b516447h","","","0.71073","MoKα","","0.0522","0.045","","","0.1141","0.1186","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150422","7.8532","0.0012","12.4259","0.0019","11.0895","0.0017","90","","108.807","0.002","90","","1024.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 S -","- C10 H12 N4 S -","- C40 H48 N16 S4 -","4","1","","Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.","The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.","Organic & biomolecular chemistry","2006","4","9","1723","1729","10.1039/b516447h","","","0.71073","MoKα","","0.0605","0.045","","","0.122","0.1328","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150423","8.6545","0.0012","15.734","0.002","7.7979","0.0011","90","","96.473","0.002","90","","1055.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-amino-3,4-dihydro-1h-5-thia-1,6,8-triazaacenaphtylene","","- C9 H12 N4 O S -","- C9 H12 N4 O S -","- C36 H48 N16 O4 S4 -","4","1","","Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.","The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.","Organic & biomolecular chemistry","2006","4","9","1723","1729","10.1039/b516447h","","","0.71073","MoKα","","0.0437","0.0349","","","0.0904","0.0948","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150424","7.4112","0.0004","15.3453","0.0008","19.811","0.001","90","","90","0.001","90","","2253","0.2","193.2","","193.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O Si -","- C22 H28 N4 O Si -","- C88 H112 N16 O4 Si4 -","4","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","0.7107","MoKα","","0.0508","0.039","","0.039","","0.037","","","1.353","","","1.43","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150425","17.488","0.001","17.514","0.001","7.601","0.002","90","","90","","90","","2328.1","0.6","299.2","","299.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O Si -","- C22 H28 N4 O Si -","- C88 H112 N16 O4 Si4 -","4","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","1.5418","CuKα","","0.0464","0.039","","0.043","","0.042","","","2.546","","","2.63","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150426","8.087","0.001","11.369","0.001","14.0678","0.0009","90","","104.498","0.007","90","","1252.2","0.2","299.2","","299.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N3 O3 Si -","- C24 H33 N3 O3 Si -","- C48 H66 N6 O6 Si2 -","2","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","1.5418","CuKα","","0.0374","0.036","","0.038","","0.038","","","3.701","","","3.77","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150427","14.365","0.003","8.446","0.002","12.304","0.002","90","","97.88","0.03","90","","1478.7","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","","Neumann, Helfried; Strübing, Dirk; Lalk, Michael; Klaus, Stefan; Hübner, Sandra; Spannenberg, Anke; Lindequist, Ulrike; Beller, Matthias","Synthesis and antimicrobial activity of N-analogous corollosporines.","Organic & biomolecular chemistry","2006","4","7","1365","1375","10.1039/b517101f","","","0.71073","MoKα","","0.0787","0.0654","","","0.1849","0.193","","","","","","1.085","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150428","8.917","0.002","8.949","0.002","10.953","0.002","96.61","0.03","97.73","0.03","99.99","0.03","844.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C34 H48 N4 O6 -","2","1","","Neumann, Helfried; Strübing, Dirk; Lalk, Michael; Klaus, Stefan; Hübner, Sandra; Spannenberg, Anke; Lindequist, Ulrike; Beller, Matthias","Synthesis and antimicrobial activity of N-analogous corollosporines.","Organic & biomolecular chemistry","2006","4","7","1365","1375","10.1039/b517101f","","","0.71073","MoKα","","0.0968","0.0522","","","0.1307","0.1441","","","","","","0.86","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150429","12.358","0.001","14.623","0.001","19.349","0.002","90","","106.678","0.001","90","","3349.5","0.5","170","1","170","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","1,2-bis(2'-methyl-5'-((((R)-1-phenylethyl)amino)carbonyl)- thien-3'-yl)-perfluorocyclopentene","1,2-bis(2'-methyl-5'-{[((R)-1-phenylethyl)amino]carbonyl}-thien-3'-yl)- perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Uchida, Kingo; Walko, Martin; de Jong, Jaap J. D.; Sukata, Shin-ichiro; Kobatake, Seiya; Meetsma, Auke; van Esch, Jan; Feringa, Ben L.","Diastereoselective cyclization of a dithienylethene switch through single crystal confinement.","Organic & biomolecular chemistry","2006","4","6","1002","1006","10.1039/b517370a","","","0.71073","MoKα","","0.0948","0.0667","","","0.1546","0.17","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150430","7.1187","0.0002","12.4355","0.0002","10.625","0.0003","90","","105.545","0.0008","90","","906.17","0.04","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Donohoe, Timothy J.; Johnson, Dale J.; Mace, Laura H.; Thomas, Rhian E.; Chiu, Jessica Y. K.; Rodrigues, Jason S.; Compton, Richard G.; Banks, Craig E.; Tomcik, Peter; Bamford, Mark J.; Ichihara, Osamu","The ammonia-free partial reduction of substituted pyridinium salts.","Organic & biomolecular chemistry","2006","4","6","1071","1084","10.1039/b517462g","","","0.71073","MoKα","","0.0502","0.0372","","0.0539","0.0459","0.0459","","","","","","1.0774","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150431","8.0683","0.0002","10.3413","0.0002","20.1216","0.0004","90","","100.613","0.0009","90","","1650.16","0.06","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Donohoe, Timothy J.; Johnson, Dale J.; Mace, Laura H.; Thomas, Rhian E.; Chiu, Jessica Y. K.; Rodrigues, Jason S.; Compton, Richard G.; Banks, Craig E.; Tomcik, Peter; Bamford, Mark J.; Ichihara, Osamu","The ammonia-free partial reduction of substituted pyridinium salts.","Organic & biomolecular chemistry","2006","4","6","1071","1084","10.1039/b517462g","","","0.71073","MoKα","","0.056","0.0397","","0.0521","0.0463","0.0463","","","","","","1.0912","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150432","12.174","0.001","21.549","0.001","7.6755","0.0003","90","","90","","90","","2013.6","0.2","183.2","","183.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 F N2 O3 -","- C23 H25 F N2 O3 -","- C92 H100 F4 N8 O12 -","4","1","","Peng, Hairuo; Carrico, Dora; Thai, Van; Blaskovich, Michelle; Bucher, Cynthia; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D.","Synthesis and evaluation of potent, highly-selective, 3-aryl-piperazinone inhibitors of protein geranylgeranyltransferase-I.","Organic & biomolecular chemistry","2006","4","9","1768","1784","10.1039/b517572k","","","0.7107","MoKalpha","","","0.0407","","","0.0404","","","","","1.478","1.478","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150433","7.884","0.001","5.6159","0.0004","17.964","0.001","90","","90.753","0.004","90","","795.3","0.12","183.2","","183.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C38 H36 N4 O6 -","2","1","","Peng, Hairuo; Carrico, Dora; Thai, Van; Blaskovich, Michelle; Bucher, Cynthia; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D.","Synthesis and evaluation of potent, highly-selective, 3-aryl-piperazinone inhibitors of protein geranylgeranyltransferase-I.","Organic & biomolecular chemistry","2006","4","9","1768","1784","10.1039/b517572k","","","0.7107","MoKalpha","","","0.0404","","","0.0418","","","","","1.508","1.508","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150434","6.0153","0.0005","12.4888","0.0009","15.2629","0.001","90","","90","","90","","1146.61","0.15","250","","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","","Li, Hongqing; Schütz, Catherine; Favre, Sylvain; Zhang, Yongmin; Vogel, Pierre; Sinaÿ, Pierre; Blériot, Yves","Nucleophilic opening of epoxyazepanes: expanding the family of polyhydroxyazepane-based glycosidase inhibitors.","Organic & biomolecular chemistry","2006","4","9","1653","1662","10.1039/b518117h","","","0.71073","MoKα","","0.104","0.0593","","0.0738","0.053","0.053","","","","","","1.1381","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150435","28.764","0.003","12.3834","0.0013","11.8736","0.0013","90","","104.728","0.002","90","","4090.4","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C39 H68 N O13.5 -","- C39 H68 N O13.5 -","- C156 H272 N4 O54 -","4","1","","Hassanzadeh, Addolreza; Helliwell, Madeleine; Barber, Jill","Determination of the stereochemistry of anhydroerythromycin A, the principal degradation product of the antibiotic erythromycin A.","Organic & biomolecular chemistry","2006","4","6","1014","1019","10.1039/b518182h","","","0.71073","MoKα","","0.0343","0.0314","","","0.0722","0.0731","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150436","9.807","0.0008","11.749","0.0012","16.027","0.002","90","","90","","90","","1846.7","0.3","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N -","- C22 H29 N -","- C88 H116 N4 -","4","1","","Petersen, Michael Axman; Nielsen, Iben B.; Kristensen, Michael B.; Kadziola, Anders; Lammich, Lutz; Andersen, Lars H.; Nielsen, Mogens Brøndsted","Novel retinylidene iminium salts for defining opsin shifts: synthesis and intrinsic chromophoric properties.","Organic & biomolecular chemistry","2006","4","8","1546","1554","10.1039/b600121a","","","0.71073","MoKα","","0.055","0.0428","","","0.0998","0.1093","","","","","","1.117","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150437","9.884","0.0016","11.711","0.0011","16.091","0.002","90","","90","","90","","1862.6","0.4","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N -","- C22 H29 N -","- C88 H116 N4 -","4","1","","Petersen, Michael Axman; Nielsen, Iben B.; Kristensen, Michael B.; Kadziola, Anders; Lammich, Lutz; Andersen, Lars H.; Nielsen, Mogens Brøndsted","Novel retinylidene iminium salts for defining opsin shifts: synthesis and intrinsic chromophoric properties.","Organic & biomolecular chemistry","2006","4","8","1546","1554","10.1039/b600121a","","","0.71073","MoKα","","0.0553","0.0431","","","0.1036","0.1127","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150438","7.6412","0.0004","11.8424","0.0009","15.8245","0.0007","90","","102.434","0.003","90","","1398.37","0.14","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C28 H39 N O6 Si -","- C28 H39 N O6 Si -","- C56 H78 N2 O12 Si2 -","2","1","","Ahmed, Omar; Hitchcock, Peter B.; Young, Douglas W.","Investigation of a route to ibotenic acid analogues via a reduced pyroglutamate template.","Organic & biomolecular chemistry","2006","4","8","1596","1603","10.1039/b600195e","","x-ray","0.71073","MoKα","","0.0509","0.0417","","","0.0889","0.0945","","","","","","1.032","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150439","5.6733","0.0002","11.538","0.0009","21.3149","0.0016","90","","90","","90","","1395.24","0.16","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C48 H76 N12 O16 -","4","1","","Ahmed, Omar; Hitchcock, Peter B.; Young, Douglas W.","Investigation of a route to ibotenic acid analogues via a reduced pyroglutamate template.","Organic & biomolecular chemistry","2006","4","8","1596","1603","10.1039/b600195e","","x-ray","0.71073","MoKα","","0.0584","0.0446","","","0.1003","0.1067","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150440","3.82","0.0006","9.5681","0.0016","14.756","0.002","90","","93.579","0.004","90","","538.28","0.14","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","9-methoxy-2-methyl-1-azaxanthone","9-methoxy-2-methyl-1-azaxanthone","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C28 H22 N2 O6 -","2","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.0487","0.0276","","0.0411","0.0297","0.0297","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150441","12.191","0.002","3.8876","0.0008","22.922","0.004","90","","90.223","0.006","90","","1086.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-methoxy-2-methyl-1-azaxanthone","7-methoxy-2-methyl-1-azaxanthone","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.1239","0.062","","","0.1416","0.1608","","","","","","0.85","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150442","4.584","0.0003","11.1889","0.0007","24.2034","0.0015","90","","90.953","0.003","90","","1241.22","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Ethylamino-2-methyl-1-azaxanthone","6-Ethylamino-2-methyl-1-azaxanthone","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.1531","0.056","","","0.1174","0.1502","","","","","","0.867","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150443","3.8693","0.0005","12.3848","0.0016","10.4698","0.0013","90","","95.015","0.002","90","","499.8","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-Methyl-1-azathioxanthone","2-Methyl-1-azathioxanthone","","- C13 H9 N O S -","- C13 H9 N O S -","- C26 H18 N2 O2 S2 -","2","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.0746","0.0634","","","0.151","0.1587","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150444","11.2537","0.0002","13.9426","0.0002","28.9064","0.0005","83.0511","0.0006","88.3274","0.0005","82.8675","0.0009","4466.96","0.13","172","","","","","","","","","","Diederich Group","6","P 1","P 1","1","","","","- C24 H38 N2 O3 S Si2 -","- C24 H38 N2 O3 S Si2 -","- C144 H228 N12 O18 S6 Si12 -","6","6","","Convertino, Vito; Manini, Peter; Schweizer, W. Bernd; Diederich, François","First asymmetric synthesis of a differentially silyl-protected tris(alkynyl)methyl methyl ether.","Organic & biomolecular chemistry","2006","4","7","1206","1208","10.1039/b601380e","","","0.71073","MoKα","","0.0827","0.0724","","","0.1961","0.2102","","","","","","1.625","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150445","15.45","0.01","10.49","0.007","10.828","0.007","90","","90","","90","","1755","2","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","jrc0831n","","","- C18 H15 Cl F2 O3 S -","- C18 H15 Cl F2 O3 S -","- C72 H60 Cl4 F8 O12 S4 -","4","1","","Scott, Jeremy P.; Mullens, Peter R.; Brewer, Sarah E.; Brands, Karel M. J.; Chilenski, Jennifer R.; Davies, Antony J.; Gibb, Andrew D.; Lieberman, David R.; Oliver, Steven F.; Dolling, Ulf-H","The conformational bias of aryl, arylsulfonyl geminally substituted tertiary carbon centers: applications in substrate-based stereocontrol.","Organic & biomolecular chemistry","2006","4","9","1806","1810","10.1039/b601647b","","","0.71073","MoKα","","0.0622","0.0515","","","0.1173","0.1225","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150446","6.9274","0.0005","8.4158","0.0006","29.301","0.002","90","","92.743","0.001","90","","1706.3","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jrc2573n","","","- C18 H17 Cl F2 O3 S -","- C18 H17 Cl F2 O3 S -","- C72 H68 Cl4 F8 O12 S4 -","4","1","","Scott, Jeremy P.; Mullens, Peter R.; Brewer, Sarah E.; Brands, Karel M. J.; Chilenski, Jennifer R.; Davies, Antony J.; Gibb, Andrew D.; Lieberman, David R.; Oliver, Steven F.; Dolling, Ulf-H","The conformational bias of aryl, arylsulfonyl geminally substituted tertiary carbon centers: applications in substrate-based stereocontrol.","Organic & biomolecular chemistry","2006","4","9","1806","1810","10.1039/b601647b","","","0.71073","MoKα","","0.0472","0.0401","","","0.1009","0.1054","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151200","7.8387","0.0015","11.645","0.002","15.4763","0.0018","90","","90","","90","","1412.7","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 F2 O2 S -","- C16 H14 F2 O2 S -","- C64 H56 F8 O8 S4 -","4","1","","Wyatt, Paul; Hudson, Andrew; Charmant, Jonathan; Orpen, A. Guy; Phetmung, Hirihattaya","Synthesis and chemistry of enantiomerically pure 10,11-dihydrodibenzo[b,f]thiepines.","Organic & biomolecular chemistry","2006","4","11","2218","2232","10.1039/b516606c","","","0.71073","MoKα","","0.0295","0.0264","","","0.0644","0.0667","","","","","","1.092","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151201","7.986","0.003","8.7928","0.0016","11.254","0.003","89.389","0.019","82.07","0.02","67.49","0.02","722.3","0.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H14 F2 O3 S -","- C16 H14 F2 O3 S -","- C32 H28 F4 O6 S2 -","2","2","","Wyatt, Paul; Hudson, Andrew; Charmant, Jonathan; Orpen, A. Guy; Phetmung, Hirihattaya","Synthesis and chemistry of enantiomerically pure 10,11-dihydrodibenzo[b,f]thiepines.","Organic & biomolecular chemistry","2006","4","11","2218","2232","10.1039/b516606c","","","0.71073","MoKα","","0.054","0.0432","","","0.0912","0.0999","","","","","","1.114","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151202","14.883","0.004","7.83","0.002","20.587","0.006","90","","90","","90","","2399.1","1.1","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","6,6f-diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)","6,6f-diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)","","- C30 H32 N2 -","- C30 H32 N2 -","- C120 H128 N8 -","4","0.5","","Setsune, Jun-ichiro; Tanabe, Aya; Watanabe, Junko; Maeda, Satoshi","Synthesis of bis(azafulvene)s by dehydration of hydroxymethylpyrrole derivatives.","Organic & biomolecular chemistry","2006","4","11","2247","2252","10.1039/b518340e","","","0.71073","MoKα","","0.0793","0.041","","","0.0978","0.1167","","","","","","1.01","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151203","17.135","0.003","38.228","0.008","6.1877","0.0012","90","","90","","90","","4053.2","1.4","295","2","295","2","","","","","","","","3","F d d 2","F 2 -2d","43","6,6f-Diphenyl-2,2f-bis(azafulvenyl)-gem-dimethylmethane","6,6f-Diphenyl-2,2f-bis(azafulvenyl)-gem-dimethylmethane","","- C25 H22 N2 -","- C25 H22 N2 -","- C200 H176 N16 -","8","0.5","","Setsune, Jun-ichiro; Tanabe, Aya; Watanabe, Junko; Maeda, Satoshi","Synthesis of bis(azafulvene)s by dehydration of hydroxymethylpyrrole derivatives.","Organic & biomolecular chemistry","2006","4","11","2247","2252","10.1039/b518340e","","","0.71073","MoKα","","0.075","0.0393","","","0.0894","0.105","","","","","","1.009","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151204","5.644","0.0001","8.477","0.0002","25.121","0.0005","90","","90","","90","","1201.89","0.04","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Mitchell, Claire E. T.; Brenner, Stacey E.; García-Fortanet, Jorge; Ley, Steven V.","An efficient, asymmetric organocatalyst-mediated conjugate addition of nitroalkanes to unsaturated cyclic and acyclic ketones.","Organic & biomolecular chemistry","2006","4","10","2039","2049","10.1039/b601877g","","","0.71073","MoKα","","0.0341","0.0312","","","0.0752","0.077","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151205","13.8204","0.0002","13.9878","0.0003","16.6312","0.0003","90.697","0.001","91.861","0.001","109.789","0.001","3022.72","0.1","113","2","113","2","","","","","","","","3","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(acetone) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(acetone) clathrate","","- C74 H68 O8 -","- C74 H68 O8 -","- C148 H136 O16 -","2","1","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1056","0.0501","","","0.1003","0.1166","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151206","8.6664","0.0002","12.6143","0.0002","13.1928","0.0003","99.167","0.001","105.288","0.001","99.795","0.001","1338.93","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.2(1,4-dioxane) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.2(1,4-dioxane) clathrate","","- C70 H60 O8 -","- C70 H60 O8 -","- C70 H60 O8 -","1","0.5","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.0634","0.0416","","","0.0946","0.1034","","","","","","1.052","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151207","9.2037","0.0003","12.8577","0.0004","14.3892","0.0005","81.503","0.001","82.891","0.001","79.766","0.001","1648.97","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(1,4-dioxane) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(1,4-dioxane) clathrate","","- C78 H76 O12 -","- C78 H68 O12 -","- C78 H68 O12 -","1","0.5","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1297","0.0576","","","0.1449","0.1704","","","","","","1.05","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151208","9.0698","0.0003","13.7712","0.0004","13.9901","0.0005","71.818","0.001","71.441","0.001","73.849","0.001","1542.47","0.09","113","2","113","2","","","","","","","","4","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(dimethyl sulphoxide) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(dimethyl sulphoxide) clathrate","","- C70 H68 O8 S4 -","- C70 H68 O8 S4 -","- C70 H68 O8 S4 -","1","0.5","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1013","0.0514","","","0.1028","0.1187","","","","","","1.019","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151209","14.0976","0.0002","16.7074","0.0002","17.3826","0.0003","63.05","0.001","87.506","0.001","70.95","0.001","3423.12","0.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.5(pyridine) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.5(pyridine) clathrate","","- C87 H69 N5 O4 -","- C87 H64 N5 O4 -","- C174 H128 N10 O8 -","2","1","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1343","0.0651","","","0.1549","0.1811","","","","","","1.053","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151210","7.5822","0.0015","10.3689","0.0013","13.0588","0.0009","90.275","0.009","101.461","0.011","100.074","0.013","989.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C46 H40 N4 O10 -","2","1","","Heaney, Frances; Lawless, Elaine; Mahon, Mary; McArdle, Patrick; Cunningham, Desmond","1,3-Dipolar character of 2-vinyl quinazoline 3-oxides; first and second generation cycloaddition products.","Organic & biomolecular chemistry","2006","4","12","2408","2416","10.1039/b602423h","","","0.71069","MoKα","","0.0512","0.0451","","","0.1147","0.1202","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151211","7.443","0.001","10.892","0.002","19.212","0.003","82.95","0.02","81.14","0.02","88.01","0.02","1527.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","2","","Heaney, Frances; Lawless, Elaine; Mahon, Mary; McArdle, Patrick; Cunningham, Desmond","1,3-Dipolar character of 2-vinyl quinazoline 3-oxides; first and second generation cycloaddition products.","Organic & biomolecular chemistry","2006","4","12","2408","2416","10.1039/b602423h","","","0.71069","MoKα","","0.0947","0.041","","","0.119","0.1417","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151212","7.492","0.0001","9.045","0.0002","13.563","0.0004","73.159","0.001","73.945","0.001","70.568","0.001","812.88","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Heaney, Frances; Lawless, Elaine; Mahon, Mary; McArdle, Patrick; Cunningham, Desmond","1,3-Dipolar character of 2-vinyl quinazoline 3-oxides; first and second generation cycloaddition products.","Organic & biomolecular chemistry","2006","4","12","2408","2416","10.1039/b602423h","","","0.71073","MoKα","","0.0488","0.0381","","","0.0922","0.0982","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151213","9.4567","0.0002","10.5163","0.0002","10.6619","0.0002","78.9","0.001","89.899","0.001","66.981","0.001","954.46","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Br F N2 O2 -","- C22 H22 Br F N2 O2 -","- C44 H44 Br2 F2 N4 O4 -","2","1","","Schweizer, Eliane; Hoffmann-Röder, Anja; Olsen, Jacob A.; Seiler, Paul; Obst-Sander, Ulrike; Wagner, Björn; Kansy, Manfred; Banner, David W.; Diederich, François","Multipolar interactions in the D pocket of thrombin: large differences between tricyclic imide and lactam inhibitors.","Organic & biomolecular chemistry","2006","4","12","2364","2375","10.1039/b602585d","","","0.7107","MoKα","","0.0342","0.0289","","","0.0637","0.0666","","","","","","1.033","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151214","9.077","0.0008","10.333","0.0009","10.925","0.0009","95.455","0.001","101.496","0.001","106.2","0.001","951.82","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 I2 N O -","- C20 H15 I2 N O -","- C40 H30 I4 N2 O2 -","2","1","","Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine","Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.","Organic & biomolecular chemistry","2006","4","11","2106","2118","10.1039/b602912d","","","0.71073","MoKα","","0.0188","0.0173","","","0.043","0.0438","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151215","17.213","0.001","14.912","0.0008","15.658","0.0009","90","","90","","90","","4019.1","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H14 I3 N O -","- C20 H14 I3 N O -","- C160 H112 I24 N8 O8 -","8","1","","Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine","Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.","Organic & biomolecular chemistry","2006","4","11","2106","2118","10.1039/b602912d","","","0.71073","MoKα","","0.0255","0.0237","","","0.0603","0.0612","","","","","","1.138","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151216","7.984","0.005","24.878","0.005","12.52","0.005","90","0.005","98.498","0.005","90","0.005","2459.5","1.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl2 I2 N2 O2 -","- C23 H20 Cl2 I2 N2 O2 -","- C92 H80 Cl8 I8 N8 O8 -","4","2","","Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine","Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.","Organic & biomolecular chemistry","2006","4","11","2106","2118","10.1039/b602912d","","","0.71069","MoKα","","0.0411","0.0397","","","0.0977","0.0987","","","","","","1.055","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151217","8.1371","0.0001","9.7341","0.0001","26.6319","0.0004","90","","90","","90","","2109.44","0.05","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 S2 -","- C21 H30 O4 S2 -","- C84 H120 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0438","0.0338","","","0.0778","0.0821","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151218","8.1836","0.0001","11.8557","0.0002","21.3327","0.0004","90","","90","","90","","2069.75","0.06","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 S2 -","- C21 H30 O4 S2 -","- C84 H120 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0372","0.0344","","","0.0893","0.0916","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151219","13.4354","0.0004","16.5257","0.0006","9.9835","0.0003","90","","90","","90","","2216.63","0.12","180","2","180","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H29 Br O4 S2 -","- C21 H29 Br O4 S2 -","- C84 H116 Br4 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0601","0.0522","","","0.1395","0.1457","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151220","5.5259","0.0004","10.0212","0.0007","34.6","0.002","90","","90","","90","","1916","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Derived Allylic Alcohols","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Markad, Shankar D.; Karanjule, Narayan S.; Sharma, Tarun; Sabharwal, Sushma G.; Puranik, Vedavati G.; Dhavale, Dilip D.","Synthesis of tetrahydroxy perhydroaza-azulenes: tandem Johnson-Claisen rearrangement of D-glucose-derived allylic alcohols.","Organic & biomolecular chemistry","2006","4","13","2549","2555","10.1039/b603545k","","","0.71073","MoKα","","0.0694","0.0622","","","0.1473","0.1516","","","","","","1.178","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151221","14.371","0.002","9.5023","0.001","21.501","0.003","90","","103.55","0.05","90","","2854.4","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H88 N2 O10 Si -","- C50 H88 N2 O10 Si -","- C100 H176 N4 O20 Si2 -","2","1","","Bauder, Claude; Biard, Jean-François; Solladié, Guy","Synthesis of derivatives of potent antitumor bistramides D and A leading to the first crystal structure of natural bistramide D.","Organic & biomolecular chemistry","2006","4","10","1860","1862","10.1039/b603767d","","","0.71073","MoKα","","0.1821","0.0812","","","0.1648","0.2129","","","","","","0.985","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151222","13.5591","0.0016","9.7766","0.0012","27.715","0.003","90","","97.819","0.002","90","","3639.8","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H42 Cl2 O6 -","- C47 H42 Cl2 O6 -","- C188 H168 Cl8 O24 -","4","0.5","","Adams, Harry; Jones, Simon; Ojea-Jimenez, Isaac","Highly diastereoselective Diels-Alder cycloadditions of 9R-(1-methoxyethyl)anthracene with p-benzoquinone.","Organic & biomolecular chemistry","2006","4","11","2296","2303","10.1039/b603819k","","","0.71073","MoKα","","0.0831","0.048","","","0.1064","0.1205","","","","","","1.042","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151223","16.221","0.008","7.386","0.004","28.003","0.013","90","","104.388","0.008","90","","3250","3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C184 H160 O24 -","8","1","","Adams, Harry; Jones, Simon; Ojea-Jimenez, Isaac","Highly diastereoselective Diels-Alder cycloadditions of 9R-(1-methoxyethyl)anthracene with p-benzoquinone.","Organic & biomolecular chemistry","2006","4","11","2296","2303","10.1039/b603819k","","","0.71073","MoKα","","0.0958","0.0521","","","0.1266","0.1513","","","","","","1.025","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151224","9.7734","0.0011","13.3223","0.0016","20.38","0.002","90","","90","","90","","2653.6","0.5","150","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 Cl2 N O5 S -","- C23 H33 Cl2 N O5 S -","- C92 H132 Cl8 N4 O20 S4 -","4","1","","Besong, Gilbert; Jarowicki, Krzysztof; Kocienski, Philip J.; Sliwinski, Eric; Boyle, F. Thomas","Synthesis of (S)-(-)-N-acetylcolchinol using intramolecular biaryl oxidative coupling.","Organic & biomolecular chemistry","2006","4","11","2193","2207","10.1039/b603857c","","","0.71073","MoKα","","0.0744","0.0545","","","0.1448","0.1601","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151225","13.3627","0.0003","15.6068","0.0003","27.3395","0.0007","90","","90","","90","","5701.6","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H44 B N O8 -","- C25 H44 B N O8 -","- C200 H352 B8 N8 O64 -","8","2","","Besong, Gilbert; Jarowicki, Krzysztof; Kocienski, Philip J.; Sliwinski, Eric; Boyle, F. Thomas","Synthesis of (S)-(-)-N-acetylcolchinol using intramolecular biaryl oxidative coupling.","Organic & biomolecular chemistry","2006","4","11","2193","2207","10.1039/b603857c","","x-ray","0.71073","MoKα","","0.0644","0.0437","","","0.093","0.1028","","","","","","1.053","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151226","8.9131","0.0009","5.0982","0.0005","18.2642","0.0017","90","","102.311","0.002","90","","810.85","0.14","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-iodophenyl carbamate of 4-phenylbut-3-ene-2-ol","","- C17 H16 I N O2 -","- C17 H16 I N O2 -","- C34 H32 I2 N2 O4 -","2","1","","Clarkson, Guy; Livingston, Andrew G.; Muir, Jennifer C.; Taylor, Paul C.","The absolute configuration of (+)-(E)-4-phenylbut-3-ene-2-ol.","Organic & biomolecular chemistry","2006","4","11","2081","","10.1039/b603934k","","","0.71073","MoKα","","0.0645","0.0524","","","0.1195","0.1258","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151227","27.55","0.02","10.928","0.008","23.154","0.009","90","","90.42","0.05","90","","6971","8","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42.67 H48.67 Cl2.67 N4 O9.67 S2 -","- C42.6667 H42.6667 Cl2.66667 N4 O9.66667 S2 -","- C256 H256 Cl16 N24 O58 S12 -","6","1.5","","Srimurugan, Sankareswaran; Viswanathan, Balasubramanian; Varadarajan, Thirukallam Kanthadai; Varghese, Babu","Synthesis and crystal structure of [2 + 2] calixsalens.","Organic & biomolecular chemistry","2006","4","16","3044","3047","10.1039/b604003a","","","0.71073","MoKα","","0.1477","0.0872","","","0.2237","0.2484","","","","","","0.954","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151228","10.0407","0.0013","15.0369","0.0016","22.816","0.003","90","","90","","90","","3444.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 N4 O4 -","- C40 H40 N4 O4 -","- C160 H160 N16 O16 -","4","1","","Srimurugan, Sankareswaran; Viswanathan, Balasubramanian; Varadarajan, Thirukallam Kanthadai; Varghese, Babu","Synthesis and crystal structure of [2 + 2] calixsalens.","Organic & biomolecular chemistry","2006","4","16","3044","3047","10.1039/b604003a","","","1.5418","CuKα","","0.0433","0.0349","","","0.0945","0.1005","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151229","15.484","0.006","12.017","0.005","19.604","0.008","90","","105.509","0.006","90","","3515","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 I3 N4 Se2 -","- C8 H11 I3 N4 Se2 -","- C64 H88 I24 N32 Se16 -","8","2","","Roy, Gouriprasanna; Nethaji, Munirathinam; Mugesh, G.","Interaction of anti-thyroid drugs with iodine: the isolation of two unusual ionic compounds derived from Se-methimazole.","Organic & biomolecular chemistry","2006","4","15","2883","2887","10.1039/b604060h","","","0.71073","MoKα","","0.049","0.0355","","","0.0851","0.0934","","","","","","1.019","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151230","6.6979","0.0014","10.374","0.002","12.158","0.003","68.916","0.003","82.135","0.003","78.816","0.003","771.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 I2 N4 Se2 -","- C8 H12 I2 N4 Se2 -","- C16 H24 I4 N8 Se4 -","2","1","","Roy, Gouriprasanna; Nethaji, Munirathinam; Mugesh, G.","Interaction of anti-thyroid drugs with iodine: the isolation of two unusual ionic compounds derived from Se-methimazole.","Organic & biomolecular chemistry","2006","4","15","2883","2887","10.1039/b604060h","","","0.71073","MoKα","","0.0261","0.0229","","","0.0564","0.0576","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151231","5.9454","0.0002","8.1078","0.0003","18.0676","0.0006","90","","90","","90","","870.93","0.05","190","","190","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0317","0.028","","0.0361","0.0326","0.0326","","","","","","1.0885","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151232","9.2401","0.0001","10.581","0.0001","46.9695","0.0005","90","","90","","90","","4592.18","0.08","100","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C192 H240 N16 O32 -","16","4","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0896","0.0667","","0.0607","0.0478","0.0478","","","","","","1.0322","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151233","17.9151","0.0005","9.5994","0.0003","12.1722","0.0004","90","","119.664","0.0013","90","","1818.96","0.1","190","","190","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C76 H108 N4 O16 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0424","0.0324","","0.0465","0.0365","0.0365","","","","","","1.1371","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151234","8.8735","0.0002","9.7635","0.0003","11.248","0.0003","89.749","0.002","79.982","0.002","64.9723","0.0011","866.9","0.04","190","","190","","","","","","","","","4","P 1","P 1","1","","","","- C16 H29 N O4 -","- C16 H29 N O4 -","- C32 H58 N2 O8 -","2","2","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0497","0.0369","","0.0482","0.038","0.038","","","","","","1.1334","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151235","8.3002","0.0002","33.6715","0.0004","10.531","0.0002","90","","90.6345","0.0005","90","","2943.03","0.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C33 H37 N O6 -","- C33 H37 N O6 -","- C132 H148 N4 O24 -","4","2","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: synthesis by enamine reduction and subsequent regioselective and diastereoselective alkylations.","Organic & biomolecular chemistry","2006","4","13","2600","2615","10.1039/b604183c","","","0.71073","MoKα","","0.0753","0.0521","","0.0561","0.0531","0.0531","","","","","","1.0425","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151236","8.8317","0.0005","10.1281","0.0005","12.024","0.0007","90","","103.017","0.002","90","","1047.89","0.1","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O7 -","- C21 H25 N O7 -","- C42 H50 N2 O14 -","2","1","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: synthesis by enamine reduction and subsequent regioselective and diastereoselective alkylations.","Organic & biomolecular chemistry","2006","4","13","2600","2615","10.1039/b604183c","","","0.71073","MoKα","","","0.0331","","","","0.0365","","","","","","1.0672","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151237","13.8821","0.0003","4.5502","0.0002","14.6589","0.0004","90","","109.809","0.0017","90","","871.16","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O7 S -","- C16 H18 N2 O7 S -","- C32 H36 N4 O14 S2 -","2","1","","Pedras, M Soledade C; Hossain, Mohammad","Metabolism of crucifer phytoalexins in Sclerotinia sclerotiorum: detoxification of strongly antifungal compounds involves glucosylation.","Organic & biomolecular chemistry","2006","4","13","2581","2590","10.1039/b604400j","","","0.71073","MoKα","","0.0559","0.0471","","","0.1037","0.109","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151238","26.338","0.013","9.477","0.005","32.834","0.015","90","","97.759","0.006","90","","8121","7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H30 I2 N2 O2 -","- C20 H30 I2 N2 O2 -","- C280 H420 I28 N28 O28 -","14","3.5","","Song, Yang; Tian, Tian; Wang, Ping; He, Hanping; Liu, Wulue; Zhou, Xiang; Cao, Xiaoping; Zhang, Xiao-Lian; Zhou, Xin","Phenol quaternary ammonium derivatives: charge and linker effect on their DNA photo-inducible cross-linking abilities.","Organic & biomolecular chemistry","2006","4","17","3358","3366","10.1039/b604552a","","","0.71073","MoKα","","0.093","0.0568","","","0.1393","0.1598","","","","","","1.044","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151239","9.7318","0.0013","18.078","0.002","20.751","0.003","90","","90","","90","","3650.8","0.8","396","2","396","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","6-Bn","","","- C36 H40 Br Cl4 N3 O2 -","- C36 H40 Br Cl4 N3 O2 -","- C144 H160 Br4 Cl16 N12 O8 -","4","1","","Dálaigh, Ciarán O; Hynes, Stephen J.; O'Brien, John E; McCabe, Thomas; Maher, Declan J.; Watson, Graeme W.; Connon, Stephen J.","Asymmetric acyl-transfer promoted by readily assembled chiral 4-N,N-dialkylaminopyridine derivatives.","Organic & biomolecular chemistry","2006","4","14","2785","2793","10.1039/b604632k","","","0.71073","MoKα","","0.0885","0.0777","","","0.1786","0.184","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151240","10.7431","0.0008","13.5397","0.001","19.375","0.0015","101.138","0.002","97.455","0.002","96.572","0.002","2713.5","0.4","130","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl N O4 -","- C20 H18 Cl N O4 -","- C120 H108 Cl6 N6 O24 -","6","3","","Smith, Jason A.; Ng, Sarah; White, Jonathon","The regioselective synthesis of aryl pyrroles.","Organic & biomolecular chemistry","2006","4","12","2477","2482","10.1039/b604692d","","","0.71073","MoKα","","0.1483","0.051","","","0.0613","0.0793","","","","","","0.591","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151241","8.6","0.0006","10.087","0.0012","10.843","0.0009","67.342","0.008","89.563","0.006","89.466","0.008","867.97","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N3 O7 -","- C14 H19 N3 O7 -","- C28 H38 N6 O14 -","2","1","","Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Highly efficient hydrazination of conjugated nitroalkenes via imidazole or DMAP mediated Morita-Baylis-Hillman reaction.","Organic & biomolecular chemistry","2006","4","13","2525","2528","10.1039/b604899d","","","0.71073","MoKα","","0.1194","0.0495","","","0.1233","0.1468","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151242","8.1928","0.001","7.4438","0.0009","26.234","0.003","90","","96.98","0.01","90","","1588","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-endo,6-endo-bis(3',4'-methylenedioxyphenyl) -3,7-dioxa- bicyclo(3.3.0)octane","2-endo,6-endo-bis(3',4'-methylenedioxyphenyl) -3,7-dioxa-bicyclo[3.3.0]octane","","- C20 H18 O6 -","- C20 H18 O6 -","- C80 H72 O24 -","4","1","","Aldous, David J.; Batsanov, Andrei S.; Yufit, Dmitrii S.; Dalençon, Anne J; Dutton, William M.; Steel, Patrick G.","The dihydrofuran template approach to furofuran synthesis.","Organic & biomolecular chemistry","2006","4","15","2912","2927","10.1039/b604952d","","","0.71073","MoKα","","0.054","0.0449","","","0.1117","0.1181","","","","","","1.088","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151243","5.8932","0.0004","9.2189","0.0007","16.1992","0.0013","87.502","0.003","89.201","0.003","77.553","0.003","858.57","0.11","110","2","110","0.2","","","","","","","","5","P -1","-P 1","2","N-toluenesulfonyl-3-methoxycarbonyl-2-phenyl-3-pyrroline","N-toluenesulfonyl-3-methoxycarbonyl-2-phenyl-3-pyrroline","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C38 H38 N2 O8 S2 -","2","1","","Aldous, David J.; Batsanov, Andrei S.; Yufit, Dmitrii S.; Dalençon, Anne J; Dutton, William M.; Steel, Patrick G.","The dihydrofuran template approach to furofuran synthesis.","Organic & biomolecular chemistry","2006","4","15","2912","2927","10.1039/b604952d","","","0.71073","MoKα","","0.1066","0.0573","","","0.1204","0.1355","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151244","7.69","0.05","9.26","0.05","17.15","0.05","90","","90","","90","","1221","11","298","","","","","","","","","","K. Okuma","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O2 S -","- C13 H18 O2 S -","- C52 H72 O8 S4 -","4","1","","Okuma, Kentaro; Koda, Masahiro; Maekawa, Shinobu; Shioji, Kosei; Inoue, Tohru; Kurisaki, Tsutomu; Wakita, Hisanobu; Yokomori, Yoshinobu","Reaction of thioketones with propiolic acids.","Organic & biomolecular chemistry","2006","4","14","2745","2752","10.1039/b605068a","","","0.71069","MoKα","","0.0781","0.0485","","","0.1291","0.1502","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151245","6.9391","0.0002","8.0963","0.0003","15.5077","0.0005","90","","101.182","0.003","90","","854.7","0.05","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C34 H54 N2 O6 -","2","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0612","0.0511","","0.0674","0.0612","0.0612","","","","","","0.9657","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151246","7.2402","0.0001","11.8197","0.0002","18.467","0.0005","90","","90","","90","","1580.35","0.05","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0387","0.0318","","0.0446","0.0396","0.0396","","","","","","1.0818","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151247","6.5167","0.0001","7.9303","0.0002","15.8324","0.0004","90","","92.8893","0.0009","90","","817.17","0.03","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C34 H46 N2 O6 -","2","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0348","0.0308","","0.0384","0.0328","0.0328","","","","","","1.1366","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151248","10.559","0.002","9.6567","0.0019","11.052","0.002","90","","112.47","0.03","90","","1041.4","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C50 H52 N4 O4 -","2","1","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.0507","0.0373","","","0.0836","0.0897","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151249","5.8566","0.0004","22.8548","0.0018","9.1424","0.0007","90","","92.913","0.006","90","","1222.14","0.16","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C56 H68 N4 O6 -","2","1","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.0842","0.05","","","0.0957","0.1075","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151250","5.3447","0.0011","10.854","0.002","14.722","0.003","81.91","0.03","87.82","0.03","88.8","0.03","844.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","1","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.1507","0.0566","","","0.1034","0.1318","","","","","","0.944","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151251","11.448","0.002","11.905","0.002","15.067","0.003","86.5","0.03","87.96","0.03","77.45","0.03","2000.1","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","2","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.2781","0.0682","","","0.1036","0.1613","","","","","","0.867","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151252","13.111","0.003","10.123","0.002","14.928","0.003","90","","90","","90","","1981.3","0.7","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","furan recepter","","","- C24 H18 N6 O -","- C24 H18 N6 O -","- C96 H72 N24 O4 -","4","0.5","","Skene, W. G.; Berl, Volker; Risler, Hélène; Khoury, Richard; Lehn, Jean-Marie","Selective product amplification of thymine photodimer by recognition-directed supramolecular assistance.","Organic & biomolecular chemistry","2006","4","19","3652","3663","10.1039/b605658j","","","0.71073","MoKα","","0.0844","0.0682","","","0.1854","0.1946","","","","","","1.128","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151253","15.28","0.003","22.54","0.005","10.51","0.002","90","","90","0.03","90","","3619.8","1.3","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 Cl3 N6 O -","- C36 H41 Cl3 N6 O -","- C144 H164 Cl12 N24 O4 -","4","1","","Skene, W. G.; Berl, Volker; Risler, Hélène; Khoury, Richard; Lehn, Jean-Marie","Selective product amplification of thymine photodimer by recognition-directed supramolecular assistance.","Organic & biomolecular chemistry","2006","4","19","3652","3663","10.1039/b605658j","","","0.71073","MoKα","","0.1183","0.0688","","0.1935","0.1652","","","","1.04","1.11","1.11","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151254","10.289","0.0001","20.1092","0.0002","7.4282","0.0004","90","","90","","90","","1536.92","0.09","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H26 N2 O6 -","- C13 H26 N2 O6 -","- C52 H104 N8 O24 -","4","1","","Maxwell, Vanessa L.; Evinson, Emma L.; Emmerson, Daniel P. G.; Jenkins, Paul R.","Synthesis, glycosidase activity and X-ray crystallography of 3-amino-sugars.","Organic & biomolecular chemistry","2006","4","14","2724","2732","10.1039/b605916c","","","0.71073","MoKα","","0.0346","0.0324","","","0.0775","0.0792","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151255","9.8736","0.0013","6.0745","0.0008","11.7121","0.0016","90","","111.941","0.002","90","","651.58","0.15","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C24 H38 N2 O12 -","2","1","","Maxwell, Vanessa L.; Evinson, Emma L.; Emmerson, Daniel P. G.; Jenkins, Paul R.","Synthesis, glycosidase activity and X-ray crystallography of 3-amino-sugars.","Organic & biomolecular chemistry","2006","4","14","2724","2732","10.1039/b605916c","","","0.71073","MoKα","","0.0365","0.035","","","0.0783","0.0792","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151256","7.3722","0.0006","25.899","0.002","26.76","0.002","90","","90","","90","","5109.4","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4-Dicarbomethoxy-2,5-di-(4Â-acetoxy-3Â'-methoxy phenyl)-2,3,4,5- tetrahydrofuran","","- C26 H28 O11 -","- C26 H28 O11 -","- C208 H224 O88 -","8","1","","Schatz, Paul F.; Ralph, John; Lu, Fachuang; Guzei, Ilia A.; Bunzel, Mirko","Synthesis and identification of 2,5-bis-(4-hydroxy-3-methoxyphenyl)-tetrahydrofuran-3,4-dicarboxylic acid, an unanticipated ferulate 8-8-coupling product acylating cereal plant cell walls.","Organic & biomolecular chemistry","2006","4","14","2801","2806","10.1039/b605918j","","","0.71073","Mo-Kα","","0.0514","0.0453","","","0.122","0.128","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151257","9.499","0.002","10.601","0.003","11.958","0.003","113.345","0.003","98.08","0.003","103.188","0.003","1039.9","0.5","153","2","153","2","","","","","","","","5","P 1","P 1","1","","N-(6-ethoxy-3-hydroxy-2-(trifluoromethyl)-tetrahydro-2H-pyran-4-yl)- 2,2,2-trifluoro-N-(1-phenylethyl)acetamide","","- C18 H21 F6 N O4 -","- C18 H21 F6 N O4 -","- C36 H42 F12 N2 O8 -","2","2","","Hayman, Colin M.; Larsen, David S.; Simpson, Jim; Bailey, Karl B.; Gill, Gurmit Singh","A stereoselective synthesis of 6,6,6-trifluoro-L-daunosamine and 6,6,6-trifluoro-L-acosamine.","Organic & biomolecular chemistry","2006","4","14","2794","2800","10.1039/b606055b","","","0.71073","MoKα","","0.0361","0.0312","","","0.0779","0.08","","","","","","1.001","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151258","6.953","0.0001","7.9824","0.0002","26.3031","0.0006","90","","92.122","0.001","90","","1458.86","0.05","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-4-morpholin-4- yl-pyridinium chloride","1-(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-4-morpholin-4-yl- pyridinium chloride","","- C13 H17 Cl N4 O4 -","- C13 H17 Cl N4 O4 -","- C52 H68 Cl4 N16 O16 -","4","1","","Schmidt, Andreas; Lindner, Anika; Nieger, Martin; Ruiz-Delgado, Maria del Carmen; Ramirez, Francisco Javier","Syntheses, pi-stacking interactions and base-pairings of uracil pyridinium salts and uracilyl betaines with nucleobases.","Organic & biomolecular chemistry","2006","4","16","3056","3066","10.1039/b606249k","","","0.71073","MoKα","","0.0355","0.0296","","","0.0793","0.082","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151259","13.4485","0.0012","6.4673","0.0006","9.3711","0.0006","90","","90","","90","","815.06","0.12","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","adeninediium dichloride","adeninediium dichloride","","- C5 H7 Cl2 N5 -","- C5 H7 Cl2 N5 -","- C20 H28 Cl8 N20 -","4","0.5","","Schmidt, Andreas; Lindner, Anika; Nieger, Martin; Ruiz-Delgado, Maria del Carmen; Ramirez, Francisco Javier","Syntheses, pi-stacking interactions and base-pairings of uracil pyridinium salts and uracilyl betaines with nucleobases.","Organic & biomolecular chemistry","2006","4","16","3056","3066","10.1039/b606249k","","","0.71073","MoKα","","0.0318","0.0265","","","0.0702","0.0717","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151260","11.2621","0.0011","5.2062","0.0005","14.3092","0.0014","90","","109.094","0.005","90","","792.83","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O -","- C17 H25 N O -","- C34 H50 N2 O2 -","2","1","","Cooksey, John P.; Kocienski, Philip J.; Li, Ying-fa; Schunk, Stefan; Snaddon, Thomas N.","Synthesis of the C1-C16 fragment of ionomycin using a neutral (eta3-allyl)iron complex.","Organic & biomolecular chemistry","2006","4","17","3325","3336","10.1039/b606262h","","","0.71073","MoKα","","0.0338","0.0319","","","0.0797","0.0818","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151261","8.7353","0.0007","9.81","0.0008","18.0556","0.0014","90","","90","","90","","1547.2","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05315","","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C72 H64 N16 O8 -","4","1","","Zhang, Xuejun; Hsung, Richard P.; You, Lingfeng","Tandem azidination- and hydroazidination-Huisgen [3 + 2] cycloadditions of ynamides. Synthesis of chiral amide-substituted triazoles.","Organic & biomolecular chemistry","2006","4","14","2679","2682","10.1039/b606680a","","","0.71073","MoKα","","0.0423","0.0332","","","0.0768","0.0837","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151262","10.634","0.0003","12.144","0.0004","15.956","0.0008","90","","108.102","0.0014","90","","1958.56","0.13","293","2","293","2","","","","","","","synthesised by authors","5","P 1 21 1","P 2yb","4","((1S)-1-(N'-(4-Bromo-benzyl)-N'-((2S)-2-((1S)-2,2-dimethyl-1- methylcarbamoyl-propylcarbamoyl)-2-hydroxy-3-phenyl-propyl) - hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester ethanol solvate","","","- C34 H52 Br N5 O7 -","- C34 H52 Br N5 O7 -","- C68 H104 Br2 N10 O14 -","2","1","","Ekegren, Jenny K.; Gising, Johan; Wallberg, Hans; Larhed, Mats; Samuelsson, Bertil; Hallberg, Anders","Variations of the P2 group in HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold.","Organic & biomolecular chemistry","2006","4","16","3040","3043","10.1039/b606859f","","","0.71073","MoKα","","0.1755","0.083","","","0.1804","0.2307","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151263","11.1634","0.0001","11.1634","0.0001","33.8352","0.0005","90","","90","","120","","3651.68","0.07","200","2","200","2","","","","","","","","4","P 61","P 61","169","","","","- C29 H25 O3 P -","- C29 H25 O3 P -","- C174 H150 O18 P6 -","6","1","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0696","0.0582","","","0.1422","0.1514","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151264","5.9419","0.0001","14.361","0.0003","26.6529","0.0007","90","","90","","90","","2274.34","0.09","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O3 P -","- C29 H27 O3 P -","- C116 H108 O12 P4 -","4","1","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0565","0.0458","","","0.102","0.1075","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151265","8.4713","0.0003","8.5479","0.0003","17.4621","0.0006","83.267","0.002","83.693","0.002","74.518","0.002","1206.09","0.07","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H24 N3 O2 P -","- C29 H24 N3 O2 P -","- C58 H48 N6 O4 P2 -","2","2","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0967","0.0696","","","0.1647","0.186","","","","","","1.106","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151266","5.8939","0.0002","8.5144","0.0003","11.3355","0.0004","82.108","0.002","87.448","0.002","82.337","0.002","558.23","0.03","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H29 O4 P -","- C23 H29 O4 P -","- C23 H29 O4 P -","1","1","","Fox, David J.; Pedersen, Daniel Sejer; Warren, Stuart","Asymmetric synthesis of orthogonally protected trans-cyclopropane gamma-amino acids via intramolecular ring closure.","Organic & biomolecular chemistry","2006","4","16","3113","3116","10.1039/b606879k","","","0.71073","MoKα","","0.0368","0.0351","","","0.0962","0.0978","","","","","","1.14","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151267","5.8203","0.001","11.4038","0.0002","37.8022","0.0009","90","","90","","90","","2509.1","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl O4 P -","- C27 H30 Cl O4 P -","- C108 H120 Cl4 O16 P4 -","4","1","","Fox, David J.; Pedersen, Daniel Sejer; Petersen, Asger B.; Warren, Stuart","Diphenylphosphinoyl chloride as a chlorinating agent‒the selective double activation of 1,2-diols.","Organic & biomolecular chemistry","2006","4","16","3117","3119","10.1039/b606881b","","","0.71073","MoKα","","0.0602","0.0527","","","0.1271","0.1315","","","","","","1.162","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151268","12.2457","0.0002","13.6867","0.0003","22.7701","0.0005","83.977","0.001","80.763","0.001","75.344","0.001","3636.02","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N3 O3.5 S3 -","- C36 H46 N3 O3.5 S3 -","- C144 H184 N12 O14 S12 -","4","2","","Fox, David J.; Morley, Thomas J.; Warren, Stuart","Episulfonium ion-mediated cyclic peptide and triazine synthesis","Organic & Biomolecular Chemistry","2006","4","16","3120","","10.1039/b606882k","","","0.71073","MoKα","","0.1531","0.0705","","","0.167","0.2067","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151269","14.292","0.006","11.057","0.004","11.287","0.005","90","","92.09","0.007","90","","1782.5","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","","Mulholland, Nicholas P.; Pattenden, Gerald; Walters, Iain A. S.","A concise total synthesis of salinosporamide A.","Organic & biomolecular chemistry","2006","4","15","2845","2846","10.1039/b607109k","","","0.71073","MoKα","","0.0536","0.0421","","","0.111","0.123","","","","","","1.04","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151270","11.223","0.002","13.252","0.003","16.734","0.003","75.48","0.03","73.58","0.03","70.65","0.03","2218.3","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","tris{2-(N-n-butyl-benzimidazole)phenyl}-boroxin","","- C51 H51 B3 N6 O3 -","- C51 H51 B3 N6 O3 -","- C102 H102 B6 N12 O6 -","2","1","","Blatch, Alexandrea J.; Chetina, Olga V.; Howard, Judith A. K.; Patrick, Leonard G. F.; Smethurst, Christian A.; Whiting, Andrew","Synthesis and structure of bifunctional N-alkylbenzimidazole phenylboronate derivatives.","Organic & biomolecular chemistry","2006","4","17","3297","3302","10.1039/b607127a","","","0.71073","MoKα","","0.1419","0.058","","","0.107","0.1304","","","","","","0.885","","","","has coordinates,has disorder","180298","2020-10-21","18:00:00",""
"7151271","8.8738","0.0008","12.5069","0.0013","17.5191","0.0011","96.519","0.006","92.166","0.006","96.945","0.008","1915","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O5 S -","- C20 H18 N2 O5 S -","- C80 H72 N8 O20 S4 -","4","2","","Rastogi, Namrata; Mohan, Renu; Panda, Dulal; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Synthesis and anticancer activity studies of alpha-aminoalkylated conjugated nitroalkenes.","Organic & biomolecular chemistry","2006","4","17","3211","3214","10.1039/b607537a","","","0.71073","MoKα","","0.1953","0.0601","","","0.1154","0.1476","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151272","14.2234","0.0007","8.9069","0.0005","21.5226","0.0013","90","","90.89","0.002","90","","2726.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H33 F6 N3 O2 -","- C26 H33 F6 N3 O2 -","- C104 H132 F24 N12 O8 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.212","0.0753","","","0.1107","0.1431","","","","","","1.009","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151273","9.384","0.001","9.969","0.001","12.623","0.001","81.56","0.01","89.69","0.01","71.13","0.01","1104.2","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H25 F6 N3 O -","- C21 H25 F6 N3 O -","- C42 H50 F12 N6 O2 -","2","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1332","0.0672","","","0.1491","0.176","","","","","","1.003","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151274","10.0545","0.0008","15.0943","0.0013","21.3967","0.0015","90","","90","","90","","3247.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 F12 N4 O3 -","- C29 H32 F12 N4 O3 -","- C116 H128 F48 N16 O12 -","4","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1547","0.048","","","0.0907","0.1156","","","","","","0.879","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151275","10.5778","0.0009","18.5187","0.0016","11.1532","0.0013","90","","100.724","0.003","90","","2146.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 F6 N3 O -","- C20 H21 F6 N3 O -","- C80 H84 F24 N12 O4 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.153","0.0629","","","0.1156","0.1434","","","","","","1.01","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151276","8.1767","0.0006","22.874","0.002","10.1933","0.0006","90","","108.158","0.003","90","","1811.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48 N10 O12 -","- C31 H46 N10 O12 -","- C62 H92 N20 O24 -","2","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0883","0.059","","","0.1565","0.1739","","","","","","0.977","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151277","11.8168","0.0003","16.6626","0.0006","18.2008","0.0005","90","","90","","90","","3583.71","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N3 O -","- C18 H29 N3 O -","- C144 H232 N24 O8 -","8","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1234","0.0515","","","0.0843","0.1019","","","","","","0.988","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151278","11.5762","0.0004","12.734","0.0004","16.3923","0.0006","90","","90","","90","","2416.41","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N3 S -","- C10 H21 N3 S -","- C80 H168 N24 S8 -","8","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0535","0.035","","","0.0655","0.0696","","","","","","0.963","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151279","8.7335","0.0002","22.165","0.0006","9.9252","0.0003","90","","101.774","0.001","90","","1880.88","0.09","446","2","446","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O -","- C17 H27 N3 O -","- C68 H108 N12 O4 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0626","0.0391","","","0.0821","0.0908","","","","","","0.956","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151280","9.1661","0.0004","11.3191","0.0006","15.5757","0.0008","90","","90","","90","","1616.01","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N3 O -","- C17 H27 N3 O -","- C68 H108 N12 O4 -","4","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0475","0.0339","","","0.0683","0.0724","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151281","25.094","0.006","12.755","0.003","19.891","0.005","90","","103.926","0.004","90","","6179","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7,8-dihydro-10-(3,4,5-trimethoxyphenyl)-7,7-dimethyl-5-p-tolyl- 5H-indeno[1,2-b]quinoline-9,11(6H,10H)-dione","","- C34 H34 N O5.5 -","- C34 H34 N O5.5 -","- C272 H272 N8 O44 -","8","1","","Tu, Shu-Jiang; Jiang, Bo; Jia, Run-Hong; Zhang, Jun-Yong; Zhang, Yan; Yao, Chang-Sheng; Shi, Feng","An efficient one-pot, three-component synthesis of indeno[1,2-b]quinoline-9,11(6H,10H)-dione, acridine-1,8(2H,5H)-dione and quinoline-3-carbonitrile derivatives from enaminones.","Organic & biomolecular chemistry","2006","4","19","3664","3668","10.1039/b607575d","","","0.71073","MoKα","","0.1921","0.0731","","","0.1771","0.2391","","","","","","0.998","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151282","8.121","","9.299","","12.532","","90","","91.21","","90","","946.17","","9","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H26.26 N3 O7.63 -","- C15 H26.2688 N3 O7.6344 -","- C30 H52.5376 N6 O15.2688 -","2","1","","Checińska, Lilianna; Mebs, Stefan; Hübschle, Christian B; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Reproducibility and transferability of topological data: experimental charge density study of two modifications of L-alanyl-L-tyrosyl-L-alanine.","Organic & biomolecular chemistry","2006","4","17","3242","3251","10.1039/b607744g","","","0.5","synchrotron","","0.0351","0.0293","","","","0.0208","","","","","","2.0596","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151283","8.845","","9.0567","","12.3638","","90","","94.563","","90","","987.282","","20","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","","Checińska, Lilianna; Mebs, Stefan; Hübschle, Christian B; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Reproducibility and transferability of topological data: experimental charge density study of two modifications of L-alanyl-L-tyrosyl-L-alanine.","Organic & biomolecular chemistry","2006","4","17","3242","3251","10.1039/b607744g","","","0.71073","MoKα","","0.0264","0.0223","","","","0.0177","","","","","","1.6277","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151284","7.381","0.001","11.493","0.001","11.058","0.001","90","","95.02","0.01","90","","934.45","0.17","198","2","198","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","7-hydroxy-9H-carbazole-3-carbaldehyde","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C52 H36 N4 O8 -","4","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0608","0.0414","","","0.1062","0.1192","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151285","8.118","0.003","9.02","0.002","9.143","0.003","101.1","0.02","102.27","0.03","104.33","0.03","612.2","0.4","198","2","198","2","","","","","","","synthesis","4","P -1","-P 1","2","Clausine C (Clauszoline L)","methyl 7-methoxy-9H-carbazole-3-carboxylate","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0612","0.045","","","0.1141","0.1255","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151286","22.924","0.003","5.787","0.0001","8.02","0.0001","90","","96.98","0.03","90","","1056.06","0.16","198","2","198","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","2-methoxy-6-methyl-9H-carbazole","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0566","0.0457","","","0.1179","0.1277","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151287","6.642","0.001","7.761","0.001","11.984","0.005","90","","105.13","0.03","90","","596.3","0.3","198","2","198","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","3-bromo-2-methoxy-6-methyl-9H-carbazole","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C28 H24 Br2 N2 O2 -","2","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0269","0.022","","","0.044","0.0453","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151288","14.321","0.002","11.583","0.003","17.877","0.002","90","","104.49","0.008","90","","2871.1","0.9","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 N O2 -","- C34 H39 N O2 -","- C136 H156 N4 O8 -","4","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.11702","0.074","","","0.18329","0.20145","","","","","","1.75","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151289","9.081","0.002","20.626","0.004","15.6","0.003","90","","98.69","0.02","90","","2888.4","1","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 N O2 -","- C36 H35 N O2 -","- C144 H140 N4 O8 -","4","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.15362","0.06905","","","0.1593","0.20345","","","","","","1.423","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151290","10.088","0.008","16.317","0.006","9.031","0.006","91.18","0.04","97.28","0.06","72.73","0.04","1407.9","1.6","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 N O2 S -","- C34 H33 N O2 S -","- C68 H66 N2 O4 S2 -","2","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.27713","0.10888","","","0.24298","0.28412","","","","","","1.601","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151291","9.471","0.005","30.489","0.006","10.734","0.005","90","","114.03","0.03","90","","2831","2","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H39 N O2 -","- C34 H39 N O2 -","- C136 H156 N4 O8 -","4","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.11358","0.05277","","","0.1171","0.16084","","","","","","1.102","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151292","20.947","0.007","31.759","0.007","8.758","0.007","90","","90","","90","","5826","5","296.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H35 N O2 -","- C36 H35 N O2 -","- C288 H280 N8 O16 -","8","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.19307","0.05528","","","0.10825","0.18927","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151293","11.009","0.002","13.949","0.005","9.752","0.002","97.99","0.02","101.46","0.02","72.82","0.02","1397.1","0.7","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 N O2 S -","- C34 H33 N O2 S -","- C68 H66 N2 O4 S2 -","2","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.15428","0.08277","","","0.20434","0.22675","","","","","","1.779","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151294","8.2013","0.0012","10.5938","0.0016","10.916","0.0017","114.849","0.003","101.576","0.003","99.321","0.003","810.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","","Wang, Xiaowei; Lou, Qinghua; Guo, Ying; Xu, Yang; Zhang, Zhili; Liu, Junyi","The design and synthesis of 9-phenylcyclohepta[d]pyrimidine-2,4-dione derivatives as potent non-nucleoside inhibitors of HIV reverse transcriptase.","Organic & biomolecular chemistry","2006","4","17","3252","3258","10.1039/b607972p","","","0.71073","MoKα","","0.0654","0.0509","","","0.137","0.1487","","","","","","1.038","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151295","7.1485","0.0011","13.16","0.002","14.239","0.002","90","","90","","90","","1339.5","0.3","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 I N O -","- C11 H22 I N O -","- C44 H88 I4 N4 O4 -","4","1","","Gawley, Robert E.; Eddings, Daniel B.; Santiago, Marcelina; Vicic, Davic A.","Diastereoselectivity of polar and radical couplings in electrophilic substitutions of rigid 2-lithio-N-methylpyrrolidines.","Organic & biomolecular chemistry","2006","4","23","4285","4291","10.1039/b608013h","","","0.7107","MoKα","","","0.0534","","","","0.1033","","","","","","1.762","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151296","9.6549","0.0002","12.9703","0.0003","14.7696","0.0004","90","","108.643","0.001","90","","1752.5","0.07","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5-(4-Methoxybenzylidene)-2-methyl-2-(2-phenylethyl)-1,3- dioxane-4,6-dione","5-(4-Methoxybenzylidene)-2-methyl-2-(2-phenylethyl)-1,3-dioxane-4,6-dione","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Casadesus, Meritxell; Coogan, Michael P.; Ooi, Li-Ling","Synthesis of 5-alkylidene-1,3-dioxane-4,6-diones, an easily accessible family of axially chiral alkenes: preparation in non-racemic form and platinum binding studies.","Organic & biomolecular chemistry","2006","4","20","3822","3830","10.1039/b608785j","","","0.71073","MoKα","","0.0899","0.0524","","","0.1052","0.1171","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151297","20.617","0.001","9.336","0.001","20.742","0.002","90","","95.882","0.006","90","","3971.4","0.6","130","","130","","","","","","","","by syntheses / see text","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H48 O10 S2 -","- C44 H48 O10 S2 -","- C176 H192 O40 S8 -","4","1","","Geertsema, Edzard M.; Schoevaars, Anne Marie; Meetsma, Auke; Feringa, Ben L.","Bisthioxanthylidene biscrown ethers as potential stereodivergent chiral ligands","Organic & Biomolecular Chemistry","2006","4","22","4101","","10.1039/b609271c","","","0.71073","MoKα","","0.1665","0.1148","","","0.3048","0.3425","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151298","12.865","0.011","15.761","0.011","19.557","0.011","90","","90","","90","","3965","5","210","2","210","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Br N O2 -","- C23 H19 Br N O2 -","- C184 H152 Br8 N8 O16 -","8","2","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.218","0.111","","0.24","0.175","","","","1.33","1.37","1.37","","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151299","9.5722","0.0011","11.5881","0.0013","23.044","0.003","90","","90","","90","","2556.1","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O5 -","- C27 H35 N O5 -","- C108 H140 N4 O20 -","4","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0359","0.0297","","","0.0753","0.0787","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151300","11.7081","0.0008","10.0539","0.0007","13.8008","0.001","90","","97.039","0.002","90","","1612.3","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 I N O5 -","- C34 H40 I N O5 -","- C68 H80 I2 N2 O10 -","2","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0338","0.0286","","","0.0649","0.0675","","","","","","0.954","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151301","9.4857","0.001","9.8441","0.001","13.0354","0.0014","90","","100.138","0.002","90","","1198.2","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2-dimethyl-4-(S)-spiro[4H-1-benzopyran-4R,4'-(3'H)-[1H-2] benzopyran-3(S)-yl]oxazolidinine-3-carboxylic acod tert butyl carbamate","","- C27 H31 N O5 -","- C27 H31 N O5 -","- C54 H62 N2 O10 -","2","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0574","0.0376","","","0.0678","0.0739","","","","","","0.928","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151302","34.004","0.004","15.738","0.003","26.894","0.004","90","","122.233","0.005","90","","12174","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61.5 H76.5 Cl1.5 N6 O6 -","- C61.5 H76.5 Cl1.5 N6 O6 -","- C492 H612 Cl12 N48 O48 -","8","1","","Rudzevich, Yuliya; Rudzevich, Valentyn; Schollmeyer, Dieter; Thondorf, Iris; Böhmer, Volker","Hydrogen bonding in dimers of tritolyl and tritosylurea derivatives of triphenylmethanes.","Organic & biomolecular chemistry","2006","4","21","3938","3944","10.1039/b609707c","","","1.54178","CuKα","","0.151","0.1004","","","0.292","0.326","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151303","14.362","0.0006","14.73","0.0006","18.993","0.0006","67.851","0.001","70.264","0.001","80.386","0.001","3499.3","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H78 Cl6 N6 O12 S3 -","- C63 H78 Cl6 N6 O12 S3 -","- C126 H156 Cl12 N12 O24 S6 -","2","1","","Rudzevich, Yuliya; Rudzevich, Valentyn; Schollmeyer, Dieter; Thondorf, Iris; Böhmer, Volker","Hydrogen bonding in dimers of tritolyl and tritosylurea derivatives of triphenylmethanes.","Organic & biomolecular chemistry","2006","4","21","3938","3944","10.1039/b609707c","","","0.71073","MoKα","","0.1602","0.0909","","","0.2362","0.2816","","","","","","1.039","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151304","5.8431","0.0012","7.9668","0.0017","9.1733","0.0019","114.831","0.003","97.043","0.003","99.449","0.003","373.43","0.14","293","2","293","2","","","","","","","","4","P 1","P 1","1","pivaloyl-prolyl-glycyl-N-methyl amide","pivaloyl-prolyl-glycyl-N-methyl amide","","- C13 H23 N3 O3 -","- C13 H23 N3 O3 -","- C13 H23 N3 O3 -","1","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0369","0.0365","","","0.0979","0.0983","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151305","6.297","0.003","11.589","0.005","22.503","0.009","90","","90","","90","","1642.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pivaloyl-prolyl-beta-glycyl-N-methyl amide","pivaloyl-prolyl-beta-glycyl-N-methyl amide","","- C14 H27 N3 O4 -","- C14 H27 N3 O4 -","- C56 H108 N12 O16 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0487","0.0439","","","0.1211","0.1246","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151306","6.157","0.002","11.547","0.004","23.404","0.008","90","","90","","90","","1663.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pivaloyl-prolyl-beta-glycyl-methyl ester","pivaloyl-prolyl-beta-glycyl-methyl ester","","- C14 H26 N2 O5 -","- C14 H26 N2 O5 -","- C56 H104 N8 O20 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0556","0.05","","","0.1379","0.1428","","","","","","1.124","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151307","11.33","0.01","25.56","0.02","6.243","0.006","90","","90","","90","","1808","3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","pivaloyl-prolyl-delta-aminovaleric acid-methyl ester","pivaloyl-prolyl-delta-aminovaleric acid-methyl ester","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C64 H112 N8 O20 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.098","0.0919","","","0.2344","0.2382","","","","","","1.143","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151308","9.7591","0.0016","9.7591","0.0016","29.158","0.01","90","","90","","120","","2405","1","293","2","293","2","","","","","","","","4","P 61","P 61","169","t-butyloxycarbonyl-prolyl-gaba-aminobutyric acid","t-butyloxycarbonyl-prolyl-gaba-aminobutyric acid","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C84 H144 N12 O30 -","6","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.099","0.0773","","","0.1243","0.1306","","","","","","1.263","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151309","24.3549","0.0008","13.9993","0.0004","26.1244","0.0007","90","","94.689","0.002","90","","8877.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H45 Cl3 N4 O2 -","- C49 H45 Cl3 N4 O2 -","- C392 H360 Cl24 N32 O16 -","8","1","","Gu, Rong; Van Hecke, Kristof; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim","Oxidative reactions of 6-pentyl indolo[3,2-b]carbazole: formation of novel C-C and C-N coupled dimers.","Organic & biomolecular chemistry","2006","4","20","3785","3789","10.1039/b610040f","","","1.54178","CuKα","","0.1108","0.0776","","","0.1669","0.1793","","","","","","1.042","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151310","12.4498","0.0007","13.0721","0.0006","17.1213","0.0008","76.028","0.003","88.352","0.004","64.368","0.003","2428.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H60 N4 O3 -","- C55 H60 N4 O3 -","- C110 H120 N8 O6 -","2","1","","Gu, Rong; Van Hecke, Kristof; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim","Oxidative reactions of 6-pentyl indolo[3,2-b]carbazole: formation of novel C-C and C-N coupled dimers.","Organic & biomolecular chemistry","2006","4","20","3785","3789","10.1039/b610040f","","","1.54178","CuKα","","0.0811","0.0711","","","0.1454","0.1497","","","","","","1.043","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151311","18.188","0.003","7.049","0.001","17.257","0.002","90","","121.24","0.002","90","","1891.7","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.0535","0.037","","","0.086","0.0943","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151312","7.284","0.003","9.462","0.003","18.426","0.006","76.24","0.005","84.707","0.006","68.069","0.005","1144.2","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H27 N O -","- C31 H27 N O -","- C62 H54 N2 O2 -","2","2","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.0826","0.0538","","","0.1255","0.1422","","","","","","1","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151313","7.6834","0.001","10.5554","0.0014","16.299","0.002","90","","93.517","0.002","90","","1319.4","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 Cl2 N2 O3 -","- C31 H30 Cl2 N2 O3 -","- C62 H60 Cl4 N4 O6 -","2","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.0343","0.0309","","","0.0745","0.0766","","","","","","1.045","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151314","10.3383","0.0014","9.6773","0.0013","14.613","0.002","90","","108.054","0.002","90","","1390","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H32 N2 O3 -","- C36 H32 N2 O3 -","- C72 H64 N4 O6 -","2","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.058","0.0386","","","0.0851","0.0935","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151315","11.945","0.001","11.653","0.002","16.339","0.002","90","","127.717","0.007","90","","1799.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Heureux, Nicolas; Wouters, Johan; Norberg, Bernadette; Markó, István E","Short, asymmetric synthesis of epi-morphine ACNO analogues.","Organic & biomolecular chemistry","2006","4","21","3898","3900","10.1039/b610148h","","","1.54178","CuKα","","0.0422","0.0402","","","0.114","0.1159","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151316","17.576","0.003","15.667","0.002","7.465","0.001","90","","90.461","0.011","90","","2055.5","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Heureux, Nicolas; Wouters, Johan; Norberg, Bernadette; Markó, István E","Short, asymmetric synthesis of epi-morphine ACNO analogues.","Organic & biomolecular chemistry","2006","4","21","3898","3900","10.1039/b610148h","","","1.54178","CuKα","","0.0387","0.0378","","","0.1093","0.1105","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151317","9.1809","0.0018","6.4336","0.0012","11.416","0.002","90","","108.32","0.004","90","","640.1","0.2","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O -","- C14 H22 O -","- C28 H44 O2 -","2","1","","Chang, Wen-Sheng; Shia, Kak-Shan; Liu, Hsing-Jang; Wei Ly, Tai","The first total synthesis of xenitorins B and C: assignment of absolute configuration.","Organic & biomolecular chemistry","2006","4","20","3751","3753","10.1039/b610427d","","","0.71073","MoKα","","0.0759","0.0436","","","0.0947","0.1042","","","","","","0.841","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151318","11.6475","0.0003","14.2692","0.0003","12.073","0.0003","90","","106.561","0.001","90","","1923.3","0.08","120","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 O3 P S2 -","- C21 H21 O3 P S2 -","- C84 H84 O12 P4 S8 -","4","1","","Ju-Nam, Yon; Bricklebank, Neil; Allen, David W.; Gardiner, Philip H. E.; Light, Mark E.; Hursthouse, Michael B.","Phosphonioalkylthiosulfate zwitterions‒new masked thiol ligands for the formation of cationic functionalised gold nanoparticles.","Organic & biomolecular chemistry","2006","4","23","4345","4351","10.1039/b610480k","","","","","","0.0565","0.0416","","","0.0994","0.1068","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151319","9.05","0.0003","14.3012","0.0004","15.0732","0.0006","90","","96.326","0.002","90","","1938.98","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 O3 P S2 -","- C15 H33 O3 P S2 -","- C60 H132 O12 P4 S8 -","4","1","","Ju-Nam, Yon; Bricklebank, Neil; Allen, David W.; Gardiner, Philip H. E.; Light, Mark E.; Hursthouse, Michael B.","Phosphonioalkylthiosulfate zwitterions‒new masked thiol ligands for the formation of cationic functionalised gold nanoparticles.","Organic & biomolecular chemistry","2006","4","23","4345","4351","10.1039/b610480k","","","0.71073","MoKα","","0.0775","0.0594","","","0.1487","0.1589","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151320","11.7699","0.0008","9.9771","0.0007","21.9102","0.0015","90","","90","","90","","2572.9","0.3","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","milkb01","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C112 H136 N8 O24 -","8","2","","Bucholtz, Kevin M.; Gareiss, Peter C.; Tajc, Stephen G.; Miller, Benjamin L.","Synthesis and evaluation of the first cis-cyclobutane-containing receptor for lipid A.","Organic & biomolecular chemistry","2006","4","21","3973","3979","10.1039/b610727c","","","0.71073","MoKα","","0.0718","0.0568","","","0.1521","0.1608","","","","","","1.056","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151321","14.322","0.004","8.975","0.002","17.157","0.004","90","","97.742","0.005","90","","2185.3","0.9","95","2","95","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H48 Cl N3 O5 -","- C53 H48 Cl N3 O5 -","- C106 H96 Cl2 N6 O10 -","2","1","","Zhang, Weicheng; Wu, Shulin; Zhang, Zhaoguo; Yennawar, Hemant; Zhang, Xumu","Practical synthesis of chiral 9,9'-spirobixanthene-1,1'-diol.","Organic & biomolecular chemistry","2006","4","24","4474","4477","10.1039/b610879b","","","0.71073","MoKα","","0.1015","0.0571","","","0.1314","0.1637","","","","","","1.045","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151322","9.2512","0.0015","19.807","0.003","34.048","0.005","90","","90","","90","","6238.9","1.7","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63.53 H64.29 Cl N7.76 O6 -","- C63.528 H64.292 Cl N7.764 O6 -","- C254.112 H257.168 Cl4 N31.056 O24 -","4","1","","Zhang, Weicheng; Wu, Shulin; Zhang, Zhaoguo; Yennawar, Hemant; Zhang, Xumu","Practical synthesis of chiral 9,9'-spirobixanthene-1,1'-diol.","Organic & biomolecular chemistry","2006","4","24","4474","4477","10.1039/b610879b","","","0.71073","MoKα","","0.0795","0.067","","","0.1627","0.169","","","","","","1.07","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151323","28.768","0.005","8.9966","0.0012","17.703","0.003","90","","108.727","0.004","90","","4339.2","1.2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 N2 O4 -","- C27 H24 N2 O4 -","- C216 H192 N16 O32 -","8","1","","Tu, Shu-Jiang; Jiang, Bo; Zhang, Jun-Yong; Jia, Run-Hong; Zhang, Yan; Yao, Chang-Sheng","Efficient and direct synthesis of poly-substituted indeno[1,2-b]quinolines assisted by p-toluene sulfonic acid using high-temperature water and microwave heating via one-pot, three-component reaction.","Organic & biomolecular chemistry","2006","4","21","3980","3985","10.1039/b611462h","","","0.7107","MoKα","","0.0758","0.0617","","","0.1182","0.124","","","","","","1.195","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151324","15.081","0.002","9.4381","0.0014","35.102","0.006","90","","92.041","0.003","90","","4993.1","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H53 N3 O5 S2 -","- C59 H53 N3 O5 S2 -","- C236 H212 N12 O20 S8 -","4","1","","Tu, Shu-Jiang; Jiang, Bo; Zhang, Jun-Yong; Jia, Run-Hong; Zhang, Yan; Yao, Chang-Sheng","Efficient and direct synthesis of poly-substituted indeno[1,2-b]quinolines assisted by p-toluene sulfonic acid using high-temperature water and microwave heating via one-pot, three-component reaction.","Organic & biomolecular chemistry","2006","4","21","3980","3985","10.1039/b611462h","","","0.71073","MoKα","","0.1602","0.0629","","","0.1486","0.2054","","","","","","1.005","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151325","10.6783","0.0003","8.1891","0.0002","11.1365","0.0003","90","","98.9319","0.0017","90","","962.03","0.04","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H25 N O6 S -","- C18 H25 N O6 S -","- C36 H50 N2 O12 S2 -","2","1","","Moloney, Mark G.; Panchal, Terry; Pike, Richard","trans-2,5-Disubstituted pyrrolidines: Rapid stereocontrolled access from sulfones.","Organic & biomolecular chemistry","2006","4","21","3894","3897","10.1039/b611583g","","","0.71073","MoKα","","0.0522","0.0334","","0.0553","0.034","0.034","","","","","","1.1154","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151326","7.6916","0.0003","11.7602","0.0005","8.2773","0.0004","90","","95.392","0.003","90","","745.41","0.06","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Smith, Timothy R.; Clark, Andrew J.; Clarkson, Guy J.; Taylor, Paul C.; Marsh, Andrew","Concise enantioselective synthesis of abscisic acid and a new analogue","Organic & Biomolecular Chemistry","2006","4","22","4186","","10.1039/b611880a","","","1.54178","CuKα","","0.0387","0.0348","","","0.0846","0.0879","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151327","11.5181","0.0009","11.8484","0.0009","18.2094","0.0014","96.201","0.002","105.504","0.001","113.542","0.001","2129.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H36 Br2 Cl2 O2 P2 Pd S -","- C43 H36 Br2 Cl2 O2 P2 Pd S -","- C86 H72 Br4 Cl4 O4 P4 Pd2 S2 -","2","1","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.0953","0.0471","","","0.0894","0.0989","","","","","","0.851","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151328","25.7511","0.0018","13.0925","0.0009","11.5739","0.0008","90","","113.781","0.001","90","","3570.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Br2 P2 Pd S -","- C40 H32 Br2 P2 Pd S -","- C160 H128 Br8 P8 Pd4 S4 -","4","0.5","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.1024","0.0709","","","0.2024","0.2102","","","","","","1.157","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151329","11.6242","0.0008","11.8469","0.0009","16.614","0.0013","90.399","0.001","105.424","0.002","98.501","0.001","2178.7","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H34 Br2 Cl3 N O2 P2 Pd S -","- C42 H34 Br2 Cl3 N O2 P2 Pd S -","- C84 H68 Br4 Cl6 N2 O4 P4 Pd2 S2 -","2","1","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.0916","0.0548","","","0.1358","0.1539","","","","","","0.909","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151330","25.775","0.004","13.4291","0.0019","11.7221","0.0016","90","","113.582","0.003","90","","3718.6","0.9","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H33 Br2 N O P2 Pd S -","- C40 H33 Br2 N O P2 Pd S -","- C160 H132 Br8 N4 O4 P8 Pd4 S4 -","4","0.5","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.1219","0.0794","","","0.2022","0.2156","","","","","","1.142","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151331","21.459","0.003","11.2009","0.0016","22.854","0.003","90","","102.583","0.004","90","","5361.3","1.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Br F3 O2 P2 Pd S -","- C50 H40 Br F3 O2 P2 Pd S -","- C200 H160 Br4 F12 O8 P8 Pd4 S4 -","4","1","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.1949","0.094","","","0.2117","0.2483","","","","","","0.986","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151332","17.0768","0.0012","14.1377","0.001","27.7514","0.0019","90","","90","","90","","6699.9","0.8","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H30 N4 Ni O2 -","- C45 H30 N4 Ni O2 -","- C360 H240 N32 Ni8 O16 -","8","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement","Organic & Biomolecular Chemistry","2006","4","22","4059","","10.1039/b612776m","","","0.71073","MoKα","","0.0532","0.044","","","0.1026","0.1073","","","","","","1.229","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151333","17.074","0.003","14.209","0.002","27.882","0.004","90","","90","","90","","6764.3","1.8","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H30 Cu N4 O2 -","- C45 H30 Cu N4 O2 -","- C360 H240 Cu8 N32 O16 -","8","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement","Organic & Biomolecular Chemistry","2006","4","22","4059","","10.1039/b612776m","","","0.71073","MoKα","","0.0926","0.0522","","","0.1065","0.1234","","","","","","1.047","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151334","18.111","0.004","14.986","0.004","27.852","0.006","90","","102.635","0.005","90","","7376","3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91 H58 Cl6 N8 Ni2 O2 -","- C91 H58 Cl6 N8 Ni2 O2 -","- C364 H232 Cl24 N32 Ni8 O8 -","4","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement","Organic & Biomolecular Chemistry","2006","4","22","4059","","10.1039/b612776m","","","0.71073","MoKα","","0.1465","0.0715","","","0.1805","0.2276","","","","","","1.011","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151335","9.227","0.002","12.144","0.003","12.904","0.003","90","","91.55","0.015","90","","1445.4","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl N2 O2 -","- C14 H15 Cl N2 O2 -","- C56 H60 Cl4 N8 O8 -","4","1","","Helm, Matthew D.; Plant, Andrew; Harrity, Joseph P. A.","A novel approach to functionalised pyridazinone arrays.","Organic & biomolecular chemistry","2006","4","23","4278","4280","10.1039/b613223e","","","0.71073","MoKα","","0.0916","0.0418","","","0.1055","0.1266","","","","","","0.99","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151336","25.7394","0.001","25.7394","0.001","5.9168","0.0006","90","","90","","90","","3920","0.5","150","2","150","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C21 H18 Cl N3 O4 -","- C21 H18 Cl N3 O4 -","- C168 H144 Cl8 N24 O32 -","8","1","","Helm, Matthew D.; Plant, Andrew; Harrity, Joseph P. A.","A novel approach to functionalised pyridazinone arrays.","Organic & biomolecular chemistry","2006","4","23","4278","4280","10.1039/b613223e","","","0.71073","MoKα","","0.0801","0.045","","","0.0966","0.1143","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151337","5.9604","0.0012","8.5899","0.0017","17.36","0.003","92.596","0.004","95.039","0.004","99.803","0.004","870.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H29 N O6 -","- C18 H29 N O6 -","- C36 H58 N2 O12 -","2","1","","Amewu, Richard; Stachulski, Andrew V.; Ward, Stephen A.; Berry, Neil G.; Bray, Patrick G.; Davies, Jill; Labat, Gael; Vivas, Livia; O'Neill, Paul M","Design and synthesis of orally active dispiro 1,2,4,5-tetraoxanes; synthetic antimalarials with superior activity to artemisinin.","Organic & biomolecular chemistry","2006","4","24","4431","4436","10.1039/b613565j","","","0.71073","MoKα","","0.0948","0.0761","","","0.1793","0.1924","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151338","6.261","0.0006","37.479","0.003","8.6291","0.0008","90","","90.841","0.002","90","","2024.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 N O6 -","- C22 H33 N O6 -","- C88 H132 N4 O24 -","4","1","","Amewu, Richard; Stachulski, Andrew V.; Ward, Stephen A.; Berry, Neil G.; Bray, Patrick G.; Davies, Jill; Labat, Gael; Vivas, Livia; O'Neill, Paul M","Design and synthesis of orally active dispiro 1,2,4,5-tetraoxanes; synthetic antimalarials with superior activity to artemisinin.","Organic & biomolecular chemistry","2006","4","24","4431","4436","10.1039/b613565j","","","0.71073","MoKα","","0.0779","0.0707","","","0.1875","0.1943","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151339","7.5911","0.0012","14.524","0.002","26.489","0.004","90","","90","","90","","2920.5","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Br N2 O -","- C18 H11 Br N2 O -","- C144 H88 Br8 N16 O8 -","8","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0829","0.0408","","","0.0678","0.0776","","","","","","0.868","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151340","8.6767","0.0012","7.7705","0.0011","19.715","0.003","90","","91.173","0.003","90","","1329","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 F N2 O -","- C18 H11 F N2 O -","- C72 H44 F4 N8 O4 -","4","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.1018","0.0672","","","0.1715","0.1905","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151341","7.605","0.002","14.272","0.004","26.587","0.007","90","","90","","90","","2885.7","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Cl N2 O -","- C18 H11 Cl N2 O -","- C144 H88 Cl8 N16 O8 -","8","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.2187","0.0895","","","0.0811","0.1086","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151342","23.342","0.004","7.5017","0.0014","17.36","0.003","90","","103.055","0.003","90","","2961.2","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Br N2 O -","- C18 H13 Br N2 O -","- C144 H104 Br8 N16 O8 -","8","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0458","0.0365","","","0.0887","0.0916","","","","","","0.964","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151343","11.686","0.003","7.3469","0.0016","16.098","0.004","90","","99.71","0.004","90","","1362.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F N2 O -","- C18 H13 F N2 O -","- C72 H52 F4 N8 O4 -","4","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0689","0.045","","","0.0826","0.0896","","","","","","0.937","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151344","6.223","0.0018","13.841","0.004","15.692","0.005","92.103","0.007","93.903","0.005","102.953","0.005","1312.3","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","2","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0758","0.0486","","","0.0947","0.1042","","","","","","1.003","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7203100","6.9095","0.0005","10.2699","0.0007","16.4105","0.0011","90","","90","","90","","1164.49","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C44 H52 N12 O12 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0473","0.0468","","","0.1258","0.1267","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203101","7.6782","0.001","12.4991","0.0016","12.4268","0.0016","90","","101.005","0.002","90","","1170.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0449","0.0391","","","0.101","0.1066","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203102","12.1682","0.0019","5.045","0.0008","12.494","0.002","90","","108.948","0.002","90","","725.4","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0386","0.0375","","","0.1081","0.1102","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203103","13.3247","0.0011","16.22","0.0014","17.2825","0.0014","83.458","0.005","86.262","0.007","84.888","0.007","3690.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H58 Hf N2 O8 -","- C30 H58 Hf N2 O8 -","- C120 H232 Hf4 N8 O32 -","4","2","","Milanov, A.; Bhakta, R.; Thomas, R.; Ehrhart, P.; Winter, M.; Waser, R.; Devi, A.","Mixed amide‒malonate compound of hafnium as a novel monomeric precursor for MOCVD of HfO2 thin films","Journal of Materials Chemistry","2006","16","5","437","","10.1039/b509380e","","","0.71073","MoKα","","0.0716","0.0525","","","0.1344","0.1506","","","","","","0.975","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203104","36.062","0.002","9.1053","0.0003","4.6794","0.0003","90","","90","","90","","1536.51","0.14","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","octylsemicarbazid","ethyl2-[(octylamino)carbonyl]hydrazinecarboxylate","","- C12 H25 N3 O3 -","- C12 H25 N3 O3 -","- C48 H100 N12 O12 -","4","1","","Deindörfer, Pia; Geiger, Thomas; Schollmeyer, Dieter; Ye, Jian Hui; Zentel, Rudolf","Semicarbazides as gel forming agents for common solvents and liquid crystals","Journal of Materials Chemistry","2006","16","4","351","","10.1039/b510474b","","","1.54178","CuKα","","0.0628","0.0487","","","0.1284","0.1378","","","","","","1.026","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7203105","19.5706","0.0003","20.7246","0.0005","14.1497","0.0003","90","","118.309","0.001","90","","5052.65","0.19","293","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Cl3 Mn2 N15 O12 -","- C42 H42 Cl3 Mn2 N15 O12 -","- C168 H168 Cl12 Mn8 N60 O48 -","4","0.5","","Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.","Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands","Journal of Materials Chemistry","2006","16","3","278","","10.1039/b510701f","","","0.71073","MoKα","","0.1684","0.0877","","","0.2214","0.2506","","","","","","0.876","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203106","9.4938","0.0001","16.1284","0.0002","12.8164","0.0001","90","","94.5494","0.0002","90","","1956.26","0.04","293","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 F12 Mn2 N14 P2 -","- C30 H32 F12 Mn2 N14 P2 -","- C60 H64 F24 Mn4 N28 P4 -","2","0.5","","Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.","Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands","Journal of Materials Chemistry","2006","16","3","278","","10.1039/b510701f","","","0.71073","MoKα","","0.0685","0.0453","","","0.098","0.1036","","","","","","0.927","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203107","12.5606","0.0006","17.25","0.0008","18.1617","0.0009","90","","90","","90","","3935.1","0.3","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H18 Cl Mn N7 O4 -","- C16 H18 Cl Mn N7 O4 -","- C128 H144 Cl8 Mn8 N56 O32 -","8","1","","Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.","Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands","Journal of Materials Chemistry","2006","16","3","278","","10.1039/b510701f","","","0.71073","MoKα","","0.0849","0.0585","","","0.1502","0.1637","","","","","","1.025","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203108","7.534","0.002","13.411","0.004","15.404","0.004","90","","97.101","0.005","90","","1544.5","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii)","Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii)","","- C28 H20 Cu2 N4 O18 -","- C28 H20 Cu2 N4 O18 -","- C56 H40 Cu4 N8 O36 -","2","0.5","","Zvicka Deutsch; Janice M. Rubin-Preminger; Joel Bernstein; James Y. Becker","Three crystal forms of tetrakis(μ<small><sub>2</sub></small>-2-nitrobenzoato-<i>O</i>,<i>O</i>′)-diaqua-di-copper(<small>II</small>)","CrystEngComm","2006","","","41","50","10.1039/b511326a","","x-ray","0.71073","MoK\α","","0.0409","0.0316","","","0.0794","0.0873","","","","","","1.037","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203109","26.561","0.003","7.4708","0.0009","16.6522","0.0019","90","","106.51","0.003","90","","3168.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii)","Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii)","","- C28 H20 Cu2 N4 O18 -","- C28 H20 Cu2 N4 O18 -","- C112 H80 Cu8 N16 O72 -","4","1","","Zvicka Deutsch; Janice M. Rubin-Preminger; Joel Bernstein; James Y. Becker","Three crystal forms of tetrakis(μ<small><sub>2</sub></small>-2-nitrobenzoato-<i>O</i>,<i>O</i>′)-diaqua-di-copper(<small>II</small>)","CrystEngComm","2006","","","41","50","10.1039/b511326a","","x-ray","0.71073","MoK\α","","0.0598","0.0387","","","0.1051","0.1299","","","","","","0.987","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203110","16.029","0.003","23.026","0.004","7.003","0.004","90","0","103.96","0.03","90","0","2508.4","1.6","295","2","","","","","","","","","Local laboratory","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 F6 O4 P S6 -","- C20 H16 F6 O4 P S6 -","- C80 H64 F24 O16 P4 S24 -","4","0.5","","Yamochi, Hideki; Hagiwara, Jun; Soeda, Masaya; Saito, Gunzi","Synthesis and charge-transfer complexes of a new donor molecule, TP-EDOT","Journal of Materials Chemistry","2006","16","6","550","","10.1039/b511512d","","","0.71073","MoKα","","","0.052","","","0.06","","","","","2.872","2.872","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203111","19.599","0.005","10.953","0.003","10.555","0.003","90","","101.11","0.02","90","","2223.4","1.1","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","(TP-EDOT)3Sb2F11(benzene)","","","- C36 H30 F11 O6 S9 Sb2 -","- C36 H22 F11 O6 S9 Sb2 -","- C72 H44 F22 O12 S18 Sb4 -","2","0.5","","Yamochi, Hideki; Hagiwara, Jun; Soeda, Masaya; Saito, Gunzi","Synthesis and charge-transfer complexes of a new donor molecule, TP-EDOT","Journal of Materials Chemistry","2006","16","6","550","","10.1039/b511512d","","","0.71073","MoKα","","0.1034","0.0681","","","0.1622","0.1749","","","","","","1.114","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203112","13.689","0.003","8.3977","0.0014","11.3004","0.0014","90","","107.446","0.013","90","","1239.3","0.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag2 N6 O4 S -","- C8 H10 Ag2 N6 O4 S -","- C32 H40 Ag8 N24 O16 S4 -","4","0.5","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.0238","0.0223","","","0.054","0.0553","","","","","","1.046","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203113","9.974","0.0018","11.6687","0.0014","9.27","0.0018","90","","90","","90","","1078.9","0.3","295","2","295","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C6 H7.5 Ag Cl N4.5 O4 -","- C6 H7.5 Ag Cl N4.5 O4 -","- C24 H30 Ag4 Cl4 N18 O16 -","4","1","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.0259","0.0256","","","0.0524","0.0525","","","","","","1.018","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203114","25.249","0.002","6.2859","0.0009","12.6954","0.0013","90","","90","","90","","2014.9","0.4","295","2","295","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C6 H9 Ag N3 O4 -","- C6 H5 Ag N3 O4 -","- C48 H40 Ag8 N24 O32 -","8","0.5","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.028","0.0258","","","0.0588","0.0603","","","","","","1.03","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203115","7.9107","0.001","19.287","0.002","12.2767","0.0007","90","","94.902","0.008","90","","1866.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Ag N4 O3 -","- C6 H9 Ag N4 O3 -","- C48 H72 Ag8 N32 O24 -","8","2","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.0381","0.0304","","","0.068","0.0718","","","","","","1.048","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203116","7.6708","0.0006","14.3064","0.0017","11.1349","0.0007","90","","102.022","0.006","90","","1195.16","0.19","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Ag Cl N3 O5 -","- C6 H11 Ag Cl N3 O5 -","- C24 H44 Ag4 Cl4 N12 O20 -","4","1","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.0432","0.0375","","","0.082","0.0852","","","","","","1.035","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203117","10.727","0.002","17.216","0.002","13.462","0.003","90","","91.64","0.02","90","","2485.1","0.8","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Ag4 N6 O12 S2 -","- C12 H18 Ag4 N6 O12 S2 -","- C48 H72 Ag16 N24 O48 S8 -","4","1","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.074","0.0549","","","0.1203","0.1291","","","","","","1.066","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203118","26.823","0.006","7.876","0.002","13.259","0.003","90","","95.994","0.006","90","","2785.8","1.1","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Cl I4 O4 S4 Se4 -","- C16 H8 Cl I4 O4 S4 Se4 -","- C64 H32 Cl4 I16 O16 S16 Se16 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0643","0.0501","","","0.1131","0.1194","","","","","","1.053","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203119","7.8146","0.0014","30.306","0.005","13.253","0.002","90","","90","","90","","3138.7","0.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Br I4 O2 S12 -","- C16 H8 Br I4 O2 S12 -","- C64 H32 Br4 I16 O8 S48 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0752","0.0612","","","0.1787","0.188","","","","","","1.041","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203120","7.876","0.003","14.217","0.005","30.851","0.011","90","","95.721","0.007","90","","3437","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 Cl3 I4 S4 Se8 -","- C17 H10 Cl3 I4 S4 Se8 -","- C68 H40 Cl12 I16 S16 Se32 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.1525","0.1135","","","0.2782","0.3006","","","","","","1.1","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203121","7.834","0.003","14.257","0.005","30.885","0.009","90","","95.789","0.007","90","","3432","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 Br Cl2 I4 S4 Se8 -","- C17 H10 Br Cl2 I4 S4 Se8 -","- C68 H40 Br4 Cl8 I16 S16 Se32 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.1015","0.0544","","","0.1004","0.1126","","","","","","0.89","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203122","7.5692","0.0012","13.544","0.002","13.781","0.002","91.385","0.004","101.128","0.003","104.257","0.003","1339.7","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 Cl I4 O4 S8 -","- C16 H8 Cl I4 O4 S8 -","- C32 H16 Cl2 I8 O8 S16 -","2","1","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0506","0.0467","","","0.1124","0.115","","","","","","1.166","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203123","7.6511","0.0016","13.7","0.003","14.006","0.003","90.804","0.005","101.885","0.004","104.209","0.004","1389.5","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 Br I4 O4 S8 -","- C16 H8 Br I4 O4 S8 -","- C32 H16 Br2 I8 O8 S16 -","2","1","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0547","0.0449","","","0.111","0.1166","","","","","","1.065","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203124","7.6396","0.0019","13.416","0.003","14.049","0.003","91.468","0.006","100.217","0.005","105.839","0.006","1359.1","0.5","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H8 Cl I4 O4 S4 Se4 -","- C16 H8 Cl I4 O4 S4 Se4 -","- C32 H16 Cl2 I8 O8 S8 Se8 -","2","1","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0908","0.0658","","","0.1573","0.1699","","","","","","0.967","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203125","7.709","0.002","13.546","0.004","14.219","0.004","90.866","0.007","100.943","0.006","105.857","0.006","1398.8","0.7","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H8 Br I4 O4 S4 Se4 -","- C16 H8 Br I4 O4 S4 Se4 -","- C32 H16 Br2 I8 O8 S8 Se8 -","2","1","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.1163","0.0736","","","0.1441","0.1638","","","","","","0.979","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203126","7.6827","0.0011","30.305","0.004","13.1946","0.0019","90","","90","","90","","3072","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Cl I4 O2 S12 -","- C16 H8 Cl I4 O2 S12 -","- C64 H32 Cl4 I16 O8 S48 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0485","0.0379","","","0.0914","0.0958","","","","","","1","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203127","7.2325","0.0014","5.0006","0.0005","17.966","0.003","90","","96.189","0.003","90","","645.99","0.18","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","(S,S)-(-)-tetramethylene bis(3,3,3-trifluorolactate)","","","- C10 H12 F6 O6 -","- C10 H12 F6 O6 -","- C20 H24 F12 O12 -","2","1","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0447","0.0421","","","0.1123","0.1142","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203128","18.816","0.003","5.1374","0.0006","7.7556","0.001","90","","96.202","0.002","90","","745.31","0.18","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-pentamethylene bis(3,3,3-trifluorolactate)","","","- C11 H14 F6 O6 -","- C11 H14 F6 O6 -","- C22 H28 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0879","0.0615","","","0.1641","0.1833","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203129","19.7519","0.0012","5.0738","0.0002","7.8915","0.0005","90","","90","","90","","790.86","0.08","120","1","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-hexamethylene bis(3,3,3-trifluorolactate)","","","- C12 H16 F6 O6 -","- C12 H16 F6 O6 -","- C24 H32 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0353","0.0343","","","0.0923","0.0931","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203130","20.812","0.0011","5.1279","0.0001","7.9655","0.0004","90","","96.279","0.001","90","","844.99","0.06","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-heptamethylene bis(3,3,3-trifluorolactate)","","","- C13 H18 F6 O6 -","- C13.008 H18.016 F6 O6 -","- C26.016 H36.032 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0288","0.0278","","","0.0691","0.0697","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203131","22.9706","0.0005","5.146","0.0001","8.0376","0.0002","90","","90","","90","","950.1","0.04","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-octamethylene bis(3,3,3-trifluorolactate)","","","- C14 H20 F6 O6 -","- C14 H20 F6 O6 -","- C28 H40 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0511","0.0441","","","0.0969","0.0991","","","","","","1.217","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203132","27.753","0.011","4.9906","0.001","7.992","0.003","90","","95.942","0.005","90","","1101","0.6","150","1","150","1","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-nonamethylene bis(3,3,3-trifluorolactate) octane solvate","","","- C17.24 H27.04 F6 O6 -","- C15 H22 F6 O6 -","- C30 H44 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0525","0.0496","","","0.1437","0.1481","","","","","","1.096","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203133","28.6832","0.0008","5.0572","0.0001","7.9245","0.0003","90","","90","","90","","1149.5","0.06","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-decamethylene bis(3,3,3-trifluorolactate) hexane ether mixed solvate","","","- C18.12 H29 F6 O6.08 -","- C16 H24 F6 O6 -","- C32 H48 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0379","0.0361","","","0.0941","0.0949","","","","","","1.121","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203134","23.4804","0.0013","11.7367","0.0007","7.365","0.0004","90","","90","","90","","2029.7","0.2","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,4,6-Tris(benzyloxy)-1,3,5-triazine","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","","Srinivas, K.; Sitha, Sanyasi; Rao, V. Jayathirtha; Bhanuprakash, K.; Ravikumar, K.","NLO Activity in some non-conjugated 3D triazine derivatives: a non-centrosymmetric crystal through conformational flexibility","Journal of Materials Chemistry","2006","16","5","496","","10.1039/b512362c","","","0.71073","MoKα","","0.0529","0.0483","","","0.115","0.1177","","","","","","1.139","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203135","9.9509","0.0002","25.1959","0.0005","9.0316","0.0002","90","","90","","90","","2264.42","0.08","100","0.1","100","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52 H36 Cl4 N4 O S2 -","- C52 H36 Cl4 N4 O S2 -","- C104 H72 Cl8 N8 O2 S4 -","2","0.5","","Huang, Ping-Hsin; Shen, Jiun-Yi; Pu, Shin-Chien; Wen, Yuh-Sheng; Lin, Jiann T.; Chou, Pi-Tai; Yeh, Ming-Chang P.","Synthesis and characterization of new fluorescent two-photon absorption chromophores","Journal of Materials Chemistry","2006","16","9","850","","10.1039/b512524c","","","0.71073","MoKα","","0.0551","0.0464","","","0.1286","0.1349","","","","","","1.11","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203136","9.4647","0.0002","9.9534","0.0002","15.7079","0.0004","90","","98.509","0.001","90","","1463.49","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N'-Bis(furan-2-ylmethylene)cyclohexane-1,2-diamine","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","van den Ancker, Tania R.; Cave, Gareth W. V.; Raston, Colin L.","Benign approaches for the synthesis of bis-imine Schiff bases","Green Chemistry","2006","8","1","50","","10.1039/b513289d","","","0.71073","MoKα","","0.0721","0.0467","","","0.1155","0.1285","","","","","","1.039","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203137","18.5478","0.0004","8.9189","0.0002","9.2148","0.0002","90","","101.388","0.001","90","","1494.36","0.06","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","N,N'-Bis(1H-pyrrol-2-ylmethylene)cyclohexane-1,2-diamine","","","- C16 H20 N4 -","- C16 H20 N4 -","- C64 H80 N16 -","4","0.5","","van den Ancker, Tania R.; Cave, Gareth W. V.; Raston, Colin L.","Benign approaches for the synthesis of bis-imine Schiff bases","Green Chemistry","2006","8","1","50","","10.1039/b513289d","","","0.71073","MoKα","","0.0402","0.0371","","","0.0989","0.1012","","","","","","1.067","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203138","35.5824","0.0014","5.701","0.0003","16.8318","0.0009","90","","112.752","0.002","90","","3148.7","0.3","150","2","396","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(N-Pyridin-4-ylmethylene)(N'-pyridin-2-ylmethylene) cyclohexane-1,2-diamine","","","- C18 H20 N4 -","- C18 H20 N4 -","- C144 H160 N32 -","8","1","","van den Ancker, Tania R.; Cave, Gareth W. V.; Raston, Colin L.","Benign approaches for the synthesis of bis-imine Schiff bases","Green Chemistry","2006","8","1","50","","10.1039/b513289d","","","0.71073","MoKα","","0.1266","0.0665","","","0.1574","0.1844","","","","","","1.02","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203139","9.7269","0.0008","8.6585","0.0007","24.853","0.002","90","","100.872","0.002","90","","2055.6","0.3","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H54 N2 O4 P2 S4 Zn -","- C36 H54 N2 O4 P2 S4 Zn -","- C72 H108 N4 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.1","0.078","","","0.209","0.223","","","","","","1.08","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203140","7.8735","0.0008","17.7046","0.0015","20.0325","0.0019","90","","90.638","0.002","90","","2792.3","0.5","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 N2 O8 P4 S8 Zn2 -","- C36 H66 N2 O8 P4 S8 Zn2 -","- C72 H132 N4 O16 P8 S16 Zn4 -","2","0.5","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.079","0.047","","","0.1","0.113","","","","","","1.01","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203141","8.3237","0.0014","11.2642","0.0019","14.95","0.004","77.797","0.003","73.836","0.003","68.317","0.003","1241.8","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H30 N O4 P2 S4 Zn -","- C14 H30 N O4 P2 S4 Zn -","- C28 H60 N2 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.101","0.065","","","0.165","0.191","","","","","","1.02","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203142","21.988","0.005","35.283","0.007","17.564","0.003","90","","90","","90","","13626","5","223","2","223","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C22 H36 N2 O4 P2 S6 Zn -","- C22 H36 N2 O4 P2 S6 Zn -","- C352 H576 N32 O64 P32 S96 Zn16 -","16","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.212","0.108","","","0.324","0.39","","","","","","1.14","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203143","18.5675","0.0006","23.9914","0.0007","16.1405","0.0005","90","","103.262","0.001","90","","6998.2","0.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 N2 O4 P2 S4 Zn -","- C25 H42 N2 O4 P2 S4 Zn -","- C200 H336 N16 O32 P16 S32 Zn8 -","8","2","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.124","0.074","","","0.192","0.223","","","","","","1.06","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203144","12.1969","0.0007","8.3847","0.0005","15.5757","0.001","90","","95.676","0.002","90","","1585.08","0.17","223","2","223","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C22 H37 N3 O4 P2 S4 Zn -","- C22 H37 N3 O4 P2 S4 Zn -","- C44 H74 N6 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.065","0.051","","","0.118","0.128","","","","","","1.01","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203145","9.617","0.003","13.895","0.003","21.695","0.006","87.83","0.011","84.549","0.009","72.903","0.01","2758.3","1.3","153","2","173","2","","","","","","","","3","P -1","-P 1","2","","Dodecithiophene","","- C120 H170 S12 -","- C120 H170 S12 -","- C120 H170 S12 -","1","0.5","","Azumi, Reiko; Mena-Osteritz, Elena; Boese, Roland; Benet-Buchholz, Jordi; Bäuerle, Peter","The longest oligothiophene ever examined by X-ray structure analysis","Journal of Materials Chemistry","2006","16","8","728","","10.1039/b513427g","","","0.71073","MoKα","","0.1777","0.063","","","0.1135","0.1445","","","","","","0.796","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203146","10.636","0.001","17.24","0.001","34.915","0.001","90","","96.66","0.001","90","","6359","0.7","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23.33 H21.33 Cl0.67 I O0.33 P -","- C23.3333 H20.6667 Cl0.666667 I O0.333333 P -","- C280 H248 Cl8 I12 O4 P12 -","12","3","","Adkine, Prashant; Cantat, Thibault; Deschamps, Eliane; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal; Geoffroy, Michel","EPR and DFT studies of the one-electron reduction product of phospholium cations.","Physical chemistry chemical physics : PCCP","2006","8","7","862","868","10.1039/b513736p","","","0.71069","MoKα","","0.0692","0.0434","","","0.1103","0.1188","","","","","","1.049","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203147","14.354","0.001","11.207","0.001","17.548","0.001","90","","90","","90","","2822.9","0.4","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 I O P -","- C13 H16 I O P -","- C104 H128 I8 O8 P8 -","8","1","","Adkine, Prashant; Cantat, Thibault; Deschamps, Eliane; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal; Geoffroy, Michel","EPR and DFT studies of the one-electron reduction product of phospholium cations.","Physical chemistry chemical physics : PCCP","2006","8","7","862","868","10.1039/b513736p","","","0.71069","MoKα","","0.0641","0.0459","","","0.1314","0.1421","","","","","","1.051","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203148","19.007","0.001","10.697","0.001","20.438","0.001","90","","104.57","0.001","90","","4021.8","0.5","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 I P -","- C20 H18 Cl2 I P -","- C160 H144 Cl16 I8 P8 -","8","2","","Adkine, Prashant; Cantat, Thibault; Deschamps, Eliane; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal; Geoffroy, Michel","EPR and DFT studies of the one-electron reduction product of phospholium cations.","Physical chemistry chemical physics : PCCP","2006","8","7","862","868","10.1039/b513736p","","","0.71069","MoKα","","0.0496","0.0318","","","0.0699","0.075","","","","","","1.005","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203149","25.078","0.002","25.078","0.002","25.078","0.002","90","","90","","90","","15772","2","123","2","123","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C23 H26 N2 O -","- C23.005 H26.01 N2.0025 O -","- C736.16 H832.32 N64.08 O32 -","32","1.33333","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.2378","0.0764","","","0.2029","0.2691","","","","","","0.941","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203150","10.5311","0.0008","17.575","0.001","18.449","0.001","90","","90.444","0.002","90","","3414.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","0.71069","MoKα","","0.0606","0.0365","","","0.09","0.1028","","","","","","1.019","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203151","25.39","0.002","25.39","0.002","25.39","0.002","90","","90","","90","","16368","2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C23 H26 N2 O -","- C23.005 H26.01 N2.0025 O -","- C736.16 H832.32 N64.08 O32 -","32","1.33333","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.0944","0.0628","","","0.1851","0.219","","","","","","1.03","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203152","12.087","0.004","16.628","0.005","10.264","0.008","96.19","0.06","95.7","0.06","107.22","0.03","1940.1","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O -","- C23 H26 N2 O -","- C92 H104 N8 O4 -","4","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.168","0.0451","","","0.0816","0.1165","","","","","","0.715","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203153","11.006","0.005","10.491","0.005","19.293","0.005","86.37","0.02","88.4","0.02","88.5","0.02","2221.6","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N3 O -","- C25 H31 N3 O -","- C100 H124 N12 O4 -","4","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.0549","0.0464","","","0.1391","0.1486","","","","","","1.06","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203154","10.86","0.01","10.47","0.01","19.95","0.02","90","","99.24","0.09","90","","2239","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 N3 O -","- C25 H31 N3 O -","- C100 H124 N12 O4 -","4","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.1326","0.0964","","","0.2197","0.2601","","","","","","0.965","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203155","10.67","0.07","7.76","0.01","24.24","0.03","90","","95.6","0.2","90","","1997","14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C88 H100 N12 O4 -","4","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.3189","0.0498","","","0.0603","0.1077","","","","","","0.656","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203156","16.979","0.002","7.706","0.008","31.237","0.003","90","","102.076","0.002","90","","3997","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C176 H200 N24 O8 -","8","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","0.71073","MoKα","","0.0624","0.0517","","","0.1514","0.1579","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203157","7.759","0.009","18.66","0.02","6.57","0.005","96.2","0.1","97.72","0.09","96.1","0.1","930","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C44 H50 N6 O2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.2543","0.107","","","0.2762","0.3649","","","","","","0.799","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203158","6.686","0.001","8.672","0.001","16.095","0.003","99.91","0.01","101.54","0.01","94.59","0.01","894.3","0.2","295","2","295","2","","","","","","","synthesised by authors, see text","6","P -1","-P 1","2","","bis(bis(ethylenedithio)tetrathiafulvalene)(pentacyano-(nitroso)-iron)","","- C25 H16 Fe N6 O S16 -","- C25 H16 Fe N6 O S16 -","- C25 H16 Fe N6 O S16 -","1","0.5","","Simonov, S. V.; Zorina, L. V.; Khasanov, S. S.; Shibaeva, R. P.; Shevyakova, I. Yu.; Buravov, L. I.; Yagubskii, E. B.; Canadell, E.","Molecular conductors with the common and robust building block (BEDT-TTF)2NP (NP = [FeNO(CN)5]2‒) but different band filling","Journal of Materials Chemistry","2006","16","8","787","","10.1039/b514912f","","","0.71073","MoKα","","0.0913","0.0562","","","0.1195","0.1329","","","","","","1.009","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203159","19.481","0.003","8.6405","0.001","16.441","0.002","98.894","0.01","93.169","0.01","100.273","0.01","2680.5","0.6","295","2","295","2","","","","","","","synthesised by authors, see text","6","P -1","-P 1","2","","tris(bis(ethylenedithio)tetrathiafulvalene)(pentacyano-(nitroso)-iron) ethylene glycole solvate","","- C37 H30 Fe N6 O3 S24 -","- C37 H30 Fe N6 O3 S24 -","- C74 H60 Fe2 N12 O6 S48 -","2","1","","Simonov, S. V.; Zorina, L. V.; Khasanov, S. S.; Shibaeva, R. P.; Shevyakova, I. Yu.; Buravov, L. I.; Yagubskii, E. B.; Canadell, E.","Molecular conductors with the common and robust building block (BEDT-TTF)2NP (NP = [FeNO(CN)5]2‒) but different band filling","Journal of Materials Chemistry","2006","16","8","787","","10.1039/b514912f","","","0.71073","MoKα","","0.0871","0.0471","","","0.1168","0.1356","","","","","","0.961","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203160","10.001","0.0001","19.579","0.0002","25.715","0.0003","90","","93.051","0.001","90","","5028.11","0.09","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C91 H27 N O -","- C91 H27 N O -","- C364 H108 N4 O4 -","4","1","","Padmawar, Prashant A.; Canteenwala, Taizoon; Verma, Sarika; Tan, Loon-Seng; Chiang, Long Y.","Synthesis and characterization of photoresponsive diphenylaminofluorene chromophore adducts of [60]fullerene","Journal of Materials Chemistry","2006","16","14","1366","","10.1039/b515055h","","","0.71073","MoKα","","0.0786","0.0524","","0.151","0.1279","","","","1.126","1.155","1.155","","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203161","21.932","0.002","25.059","0.002","40.88","0.004","90","","90","","90","","22467","3","120","2","120","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","tetrakis(9,9-dihexyl-2-(pyridin-2-yl)fluorene-C^2^,N')-bis-(μ- chloro)diiridium, bis(dichloromethane) hydrate","","- C122 H150 Cl6 Ir2 N4 O -","- C122 H148 Cl6 Ir2 N4 O -","- C976 H1184 Cl48 Ir16 N32 O8 -","8","0.25","","Bettington, Sylvia; Tavasli, Mustafa; Bryce, Martin R.; Batsanov, Andrei S.; Thompson, Amber L.; Al Attar, Hameed A.; Dias, Fernando B.; Monkman, Andrew P.","Bridged diiridium complexes for electrophosphorescent OLEDs: synthesis, X-ray crystal structures, photophysics, and devices","Journal of Materials Chemistry","2006","16","11","1046","","10.1039/b515258e","","","0.71073","MoKα","","0.119","0.0807","","","0.2002","0.2335","","","","","","1.272","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203162","14.403","0.004","15.041","0.004","16.055","0.004","77.58","0.01","70.27","0.01","79.47","0.01","3174.2","1.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","bis(9,9,-dihexyl-2-pyridin-2-yl)fluorene-C^2^,N')- dimethylsulphoxide iridium(III) isocyanate, bis-dimethylsulphoxide solvate","","- C67 H90 Ir N3 O4 S3 -","- C67 H90 Ir N3 O4 S3 -","- C134 H180 Ir2 N6 O8 S6 -","2","1","","Bettington, Sylvia; Tavasli, Mustafa; Bryce, Martin R.; Batsanov, Andrei S.; Thompson, Amber L.; Al Attar, Hameed A.; Dias, Fernando B.; Monkman, Andrew P.","Bridged diiridium complexes for electrophosphorescent OLEDs: synthesis, X-ray crystal structures, photophysics, and devices","Journal of Materials Chemistry","2006","16","11","1046","","10.1039/b515258e","","","0.71073","MoKα","","0.027","0.0239","","","0.0609","0.0627","","","","","","1.049","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203163","7.5255","0.001","12.0556","0.0015","18.597","0.002","90","","96.238","0.01","90","","1677.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-tert-Butoxycarbonyl-L-prolinate ethanol solvate hydrate","brucinium N-tert-Butoxycarbonyl-L-prolinate ethanol solvate hydrate","","- C35 H51 N3 O10 -","- C35 H51 N3 O10 -","- C70 H102 N6 O20 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.047","0.0391","","","0.0859","0.0899","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203164","8.2334","0.0014","12.283","0.002","33.625","0.005","90","","90","","90","","3400.5","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium hydrogen N-benzoyl-D-aspartate tetrahydrate","","- C34 H45 N3 O13 -","- C34 H45 N3 O13 -","- C136 H180 N12 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.1192","0.0776","","","0.1642","0.1882","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203165","7.8711","0.0008","12.4649","0.0012","33.044","0.003","90","","90","","90","","3242","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-benzoyl-D-asparaginate trihydrate","","- C34 H44 N4 O11 -","- C34 H44 N4 O11 -","- C136 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.1489","0.0583","","","0.0722","0.0867","","","","","","1.005","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203166","13.611","0.002","12.374","0.002","20.458","0.003","90","","93.146","0.018","90","","3440.4","0.9","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-tert-Butoxycarbonyl-L-alaninate 2-propanol solvate hydrate","","- C34 H51 N3 O10 -","- C34 H51 N3 O10 -","- C136 H204 N12 O40 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.0555","0.0406","","","0.0687","0.0735","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203167","5.028","0.002","9.68","0.004","5.246","0.002","90","","118.522","0.007","90","","224.34","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 Cl N2 -","- C2 H5 Cl N2 -","- C4 H10 Cl2 N4 -","2","1","","Wishkerman, Sara; Bernstein, Joel","Characterization of the polymorphs of aminoacetonitrile hydrochloride and crystal structure of the stable polymorph","CrystEngComm","2006","8","3","245","","10.1039/b515447b","","","0.71073","MoKα","","0.0377","0.037","","","0.0874","0.0883","","","","","","1.284","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203168","13.1537","0.0015","28.617","0.003","10.365","0.0011","90","","90","","90","","3901.6","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 Co N2 O8 -","- C18 H22 Co N2 O8 -","- C144 H176 Co8 N16 O64 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.1026","0.0432","","","0.0642","0.0747","","","","","","0.856","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203169","12.6879","0.0012","27.985","0.003","10.8363","0.0011","90","","90","","90","","3847.7","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 Cu N2 O8 -","- C18 H22 Cu N2 O8 -","- C144 H176 Cu8 N16 O64 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0666","0.0404","","","0.0628","0.0681","","","","","","0.883","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203170","12.88","0.003","28.401","0.006","10.376","0.002","90","","90","","90","","3795.6","1.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 N2 O8 Zn -","- C18 H22 N2 O8 Zn -","- C144 H176 N16 O64 Zn8 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0961","0.0414","","","0.0451","0.0531","","","","","","0.816","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203171","11.325","0.002","16.241","0.003","9.881","0.002","90","","90","","90","","1817.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H18 N2 O6 Zn -","- C18 H18 N2 O6 Zn -","- C72 H72 N8 O24 Zn4 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0861","0.0375","","","0.0491","0.0556","","","","","","0.809","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203172","7.9432","0.0007","9.6697","0.0008","22.3743","0.0019","90","","92.791","0.002","90","","1716.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl Mn N2 O5 -","- C15 H17 Cl Mn N2 O5 -","- C60 H68 Cl4 Mn4 N8 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0631","0.0353","","","0.0724","0.0779","","","","","","0.916","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203173","7.8296","0.0007","9.5624","0.0008","22.1549","0.0018","90","","93.724","0.002","90","","1655.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl Co N2 O5 -","- C15 H17 Cl Co N2 O5 -","- C60 H68 Cl4 Co4 N8 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.124","0.0469","","","0.0643","0.0768","","","","","","0.838","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203174","7.7833","0.0007","9.5585","0.0009","22.055","0.002","90","","94.027","0.002","90","","1636.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl N2 Ni O5 -","- C15 H17 Cl N2 Ni O5 -","- C60 H68 Cl4 N8 Ni4 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0881","0.0507","","","0.1085","0.1194","","","","","","0.95","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203175","7.734","0.0008","9.6848","0.0009","22.313","0.002","90","","94.977","0.002","90","","1665","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Br N2 Ni O5 -","- C15 H17 Br N2 Ni O5 -","- C60 H68 Br4 N8 Ni4 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.1884","0.0515","","","0.0565","0.0756","","","","","","0.736","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203176","8.2288","0.0004","7.9971","0.0004","21.7042","0.001","90","","90.523","0.001","90","","1428.22","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N5 O3 -","- C17 H11 N5 O3 -","- C68 H44 N20 O12 -","4","1","","David J. Ring; Alexander J. Blake; Neil R. Champness; Claire Wilson","Threefold interpenetration of hydrogen-bonded two-dimensional sheets with 4<small><sup>4</sup></small> topology: supramolecular assembly of dimeric cyanuric acid nodes with four-fold connectivity","CrystEngComm","2006","","","29","32","10.1039/b515668h","","","0.6749","synchrotron","","0.0558","0.0444","","","0.1239","0.133","","","","","","1.041","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203177","5.37","0.003","6.213","0.003","12.481","0.004","90","","102.31","0.03","90","","406.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-NITROPHENYL PHOSPHORIC ACID","4-NITROPHENYL PHOSPHORIC ACID","","- C6 H6 N O6 P -","- C6 H6 N O6 P -","- C12 H12 N2 O12 P2 -","2","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0279","0.0268","","","0.0691","0.0698","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203178","7.669","0.002","19.817","0.004","11.707","0.002","90","","102.9","0.03","90","","1734.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","SEMIPOTASSIUM SALT OF 4-NITROPHENYL PHOSPHORIC ACID","SEMIPOTASSIUM SALT OF 4-NITROPHENYL PHOSPHORIC ACID","","- C12 H11 K N2 O12 P2 -","- C12 H11 K N2 O12 P2 -","- C48 H44 K4 N8 O48 P8 -","4","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0407","0.0347","","","0.0808","0.083","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203179","7.373","0.003","9.561","0.003","16.32","0.004","84.44","0.03","89.23","0.03","84.47","0.03","1139.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE METHANOL SOLVATE","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE METHANOL SOLVATE","","- C7 H9 K N O7 P -","- C7 H9 K N O7 P -","- C28 H36 K4 N4 O28 P4 -","4","2","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0423","0.0339","","","0.083","0.0868","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203180","12.58","0.003","6.743","0.002","13.316","0.003","90","","93.89","0.03","90","","1127","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE DIHYRATE","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE DIHYRATE","","- C6 H9 K N O8 P -","- C6 H9 K N O8 P -","- C24 H36 K4 N4 O32 P4 -","4","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0328","0.026","","","0.0664","0.0685","","","","","","1.124","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203181","12.529","0.004","7.131","0.003","31.914","0.006","90","","90","","90","","2851.3","1.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","DIPOTASSIUM 4-NITROPHENYL PHOSPHATE TETRAHYDRATE","DIPOTASSIUM 4-NITROPHENYL PHOSPHATE TETRAHYDRATE","","- C6 H12 K2 N O10 P -","- C6 H12 K2 N O10 P -","- C48 H96 K16 N8 O80 P8 -","8","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0805","0.0544","","","0.1078","0.1168","","","","","","1.109","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203182","6.9146","0.0014","7.0143","0.0019","10.59","0.002","100.178","0.019","97.31","0.017","117.655","0.016","434.7","0.19","295","2","295","2","","","","","","","","4","P -1","-P 1","2","HMI-Au(CN)2","","","- C6 H7 Au N4 -","- C6 H7 Au N4 -","- C12 H14 Au2 N8 -","2","1","","Yoshida, Yukihiro; Fujii, Junichi; Saito, Gunzi; Hiramatsu, Takaaki; Sato, Naoki","Dicyanoaurate(i) salts with 1-alkyl-3-methylimidazolium: luminescent properties and room-temperature liquid forming","Journal of Materials Chemistry","2006","16","8","724","","10.1039/b515869a","","","0.71073","MoK-alpha","","","0.0559","","0.1952","","","","","1.45","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203183","8.3701","0.0017","19.9","0.004","6.6722","0.0018","90","","107.837","0.019","90","","1057.9","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","EMI-Au(CN)2","","","- C8 H11 Au N4 -","- C8 H11 Au N4 -","- C32 H44 Au4 N16 -","4","1","","Yoshida, Yukihiro; Fujii, Junichi; Saito, Gunzi; Hiramatsu, Takaaki; Sato, Naoki","Dicyanoaurate(i) salts with 1-alkyl-3-methylimidazolium: luminescent properties and room-temperature liquid forming","Journal of Materials Chemistry","2006","16","8","724","","10.1039/b515869a","","","0.71073","MoK-alpha","","","0.043","","0.1312","","","","","1.207","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203184","18.463","0.002","17.81","0.002","9.204","0.001","90","","101.491","0.008","90","","2965.9","0.6","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N6 -","- C36 H36 N6 -","- C144 H144 N24 -","4","1","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","1.54184","CuKα","","0.0667","0.0535","","","0.1376","0.1481","","","","","","1.022","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203185","5.747","0.0006","15.511","0.002","11.798","0.002","90","","92.911","0.008","90","","1050.3","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 -","- C26 H26 N4 -","- C52 H52 N8 -","2","0.5","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","1.54184","CuKα","","0.0699","0.0452","","","0.1096","0.1202","","","","","","1.082","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203186","5.815","0.003","8.493","0.003","27.344","0.004","90","","90.48","0.03","90","","1350.4","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","0.71069","MoKα","","0.1762","0.0562","","","0.1102","0.1436","","","","","","0.985","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203187","9.2058","0.0009","5.6582","0.0012","25.114","0.002","90","","96.875","0.008","90","","1298.7","0.3","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","1.54184","CuKα","","0.1021","0.0562","","","0.1351","0.1555","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203188","14.7475","0.0013","5.6746","0.0004","16.6394","0.0014","90","","113.98","0.007","90","","1272.3","0.19","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","1.54184","CuKα","","0.0728","0.0431","","","0.104","0.1169","","","","","","1.026","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203189","9.7931","0.0003","17.0401","0.0005","19.8613","0.0007","90","","102.479","0.001","90","","3236.06","0.18","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Au2 Cl2 N O0.5 P2 -","- C34 H34 Au2 Cl2 N O0.5 P2 -","- C136 H136 Au8 Cl8 N4 O2 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0789","0.0445","","","0.0889","0.1006","","","","","","0.949","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203190","10.5172","0.0002","12.311","0.0003","13.3218","0.0004","72.659","0.001","84.32","0.002","75.96","0.001","1596.62","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H29 Au2 Cl2 N O3 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C66 H58 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0524","0.0447","","","0.1145","0.1194","","","","","","1.001","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203191","9.8874","0.0002","11.2785","0.0002","13.3023","0.0003","70.929","0.001","81.604","0.001","87.168","0.001","1386.96","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 N O3 P2 -","- C33 H29 N O3 P2 -","- C66 H58 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.067","0.0498","","","0.1293","0.1404","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203192","11.2658","0.001","11.6465","0.0002","14.495","0.0002","85.708","0.001","74.044","0.001","86.088","0.001","1821.19","0.17","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 Au2 Cl2 N O3 P2 -","- C37 H39 Au2 Cl2 N O3 P2 -","- C74 H78 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0354","0.0315","","","0.0796","0.0819","","","","","","1.027","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203193","11.288","0.002","11.664","0.002","14.665","0.003","83.41","0.03","73.92","0.03","85.81","0.03","1841.3","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 Au2 Cl2 N O4 P2 -","- C37 H40 Au2 Cl2 N O4 P2 -","- C74 H80 Au4 Cl4 N2 O8 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0346","0.029","","","0.0683","0.0707","","","","","","1.054","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203194","10.0711","0.0002","17.7756","0.0004","19.7048","0.0005","90","","101.616","0.001","90","","3455.3","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33.32 H30.28 Au2 Cl2 N O3.32 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C132 H116 Au8 Cl8 N4 O12 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0723","0.0414","","","0.0688","0.0761","","","","","","1.009","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203195","14.4668","0.0005","10.6327","0.0004","20.9068","0.0012","90","","95.054","0.0016","90","","3203.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Au2 Cl2 N O3 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C132 H116 Au8 Cl8 N4 O12 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.1616","0.0594","","","0.0874","0.0987","","","","","","1.069","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203196","10.9153","0.0004","12.1624","0.0004","15.8034","0.0006","74.933","0.002","82.592","0.002","73.966","0.002","1943.37","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.6 H31.4 Au2 Cl2 N O3.6 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C66 H58 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0864","0.0665","","","0.1791","0.1889","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203197","6.3316","0.0013","12.517","0.003","33.042","0.007","90","","90","","90","","2618.7","1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C34 H34 N2 O2 -","- C34 H34 N2 O2 -","- C136 H136 N8 O8 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.0796","0.0417","","","0.0795","0.0852","","","","","","0.901","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203198","12.632","0.003","32.034","0.006","6.2215","0.0012","90","","90","","90","","2517.6","0.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H32 N2 O2 S -","- C32 H32 N2 O2 S -","- C128 H128 N8 O8 S4 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1351","0.0433","","","0.0634","0.0769","","","","","","0.826","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203199","18.823","0.004","10.157","0.002","13.869","0.003","90","","100.44","0.03","90","","2607.7","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N2 O4 -","- C32 H32 N2 O4 -","- C128 H128 N8 O16 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.098","0.0408","","","0.071","0.0772","","","","","","0.931","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203200","12.525","0.003","12.772","0.003","26.458","0.005","90","","90","","90","","4232.5","1.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C192 H208 N16 O32 -","8","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.186","0.0664","","","0.163","0.1846","","","","","","1.032","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203201","9.3034","0.0019","10.198","0.002","10.295","0.002","60.47","0.03","76.13","0.03","72.88","0.03","806.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","1","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1198","0.0795","","","0.1884","0.2142","","","","","","1.026","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203202","11.764","0.002","15.841","0.003","12.322","0.003","90","","113.9","0.03","90","","2099.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C88 H96 N8 O16 S8 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.0541","0.0406","","","0.1059","0.1115","","","","","","1.022","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203203","8.5551","0.0017","11.84","0.002","12.496","0.003","106.27","0.03","104.97","0.03","98.65","0.03","1139.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1132","0.0873","","","0.2538","0.2816","","","","","","1.009","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203204","8.6721","0.0017","11.845","0.002","12.364","0.003","106.23","0.03","104.28","0.03","98.19","0.03","1150.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C52 H64 N4 O8 -","2","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1067","0.0761","","","0.1981","0.222","","","","","","1.021","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203205","17.518","0.004","13.767","0.003","9.0857","0.0018","90","","91.32","0.03","90","","2190.6","0.8","120","2","120","2","","","","","","","Roberto Quesada","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H21 N8 O7.5 Pt S4 -","- C9 H21 N8 O7.5 Pt S4 -","- C36 H84 N32 O30 Pt4 S16 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0508","0.0314","","","0.0604","0.0672","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203206","17.315","0.004","9.4289","0.0019","23.344","0.005","90","","107.7","0.03","90","","3630.8","1.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H40 N8 O9 Pt S8 -","- C17 H40 N8 O9 Pt S8 -","- C68 H160 N32 O36 Pt4 S32 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0326","0.0254","","","0.0598","0.0633","","","","","","1.029","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203207","16.3461","0.0014","10.1444","0.0006","11.143","0.0011","90","","90","","90","","1847.7","0.3","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H40 N8 O8 Pt S8 -","- C16 H40 N8 O8 Pt S8 -","- C32 H80 N16 O16 Pt2 S16 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.072","0.0538","","","0.1317","0.1429","","","","","","0.931","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203208","21.1828","0.0016","14.1183","0.0013","14.4599","0.0014","90","","99.579","0.006","90","","4264.2","0.7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H96 Cl2 N24 O16 Pt3 S18 -","- C38 H96 Cl2 N24 O16 Pt3 S18 -","- C76 H192 Cl4 N48 O32 Pt6 S36 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0655","0.0376","","","0.0694","0.0773","","","","","","1.038","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203209","8.8659","0.0009","12.7545","0.0008","11.0019","0.0015","90","","110.91","0.007","90","","1162.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N10 O4 Pt S4 -","- C12 H22 N10 O4 Pt S4 -","- C24 H44 N20 O8 Pt2 S8 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0566","0.0301","","","0.0617","0.0708","","","","","","0.977","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203210","8.9202","0.0005","13.8259","0.0006","9.1159","0.0006","90","","116.182","0.005","90","","1008.91","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 N8 O6 Pt S4 -","- C8 H20 N8 O6 Pt S4 -","- C16 H40 N16 O12 Pt2 S8 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0198","0.0166","","","0.0357","0.0376","","","","","","1.066","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203211","21.409","0.004","14.734","0.003","14.767","0.003","90","","127.24","0.03","90","","3708.4","1.9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H44 N8 O12 Pt S8 -","- C18 H44 N8 O12 Pt S8 -","- C72 H176 N32 O48 Pt4 S32 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.048","0.028","","","0.0465","0.0516","","","","","","1.038","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203212","12.4153","0.0018","12.4153","0.0018","7.3494","0.0015","90","","90","","90","","1132.8","0.3","293","2","273","","","","","","","","","5","P -4","P -4","81","1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate","1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate","","- C36 H46 Cl6 O16 P4 -","- C36 H46 Cl6 O16 P4 -","- C36 H46 Cl6 O16 P4 -","1","0.25","","Jones, Katherine M. E.; Mahmoudkhani, Amir H.; Chandler, Brett D.; Shimizu, George K. H.","An adamantane-based tetraphosphonic acid that forms an open diamondoid net via a hydrogen-bonded phosphonic acid?water cluster","CrystEngComm","2006","8","4","303","","10.1039/b516332c","","x-ray","0.71073","MoKα","","0.0556","0.0471","","","0.114","0.1236","","","","","","1.075","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203213","6.339","0.001","9.867","0.001","15.3","0.002","90","","91.05","0.01","90","","956.8","0.2","298","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Co4 Na O12 P3 -","- Co4 Na O12 P3 -","- Co16 Na4 O48 P12 -","4","1","","R. Baies; O. Pérez; V. Caignaert; V. Pralong; B. Raveau","A new sodium cobaltophosphate with a tunnel structure, ionic conductor","Journal of Materials Chemistry","2006","16","25","2434","","10.1039/b516383h","","","0.71069","MoKα","","0.1669","0.0523","","","0.0471","0.0603","","","","1.58","1.58","1.23","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203214","14.034","0.01","13.205","0.017","3.699","0.008","90","","90","","90","","685.5","1.8","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H4 N O4 -","- C7 H4 N O4 -","- C28 H16 N4 O16 -","4","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0759","0.0591","","","0.1573","0.1701","","","","","","1.039","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203215","3.6579","0.0001","11.0577","0.0004","21.5478","0.001","90","","93.02","0.001","90","","870.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O6 -","- C7 H9 N O6 -","- C28 H36 N4 O24 -","4","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0929","0.0466","","","0.0927","0.1119","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203216","5.1793","0.0002","9.476","0.0003","8.5004","0.0003","90","","94.289","0.002","90","","416.02","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 Cl N O5 -","- C7 H6 Cl N O5 -","- C14 H12 Cl2 N2 O10 -","2","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0316","0.0294","","","0.0717","0.0735","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203217","6.5411","0.0006","9.4198","0.0009","10.8119","0.0011","92.161","0.005","104.384","0.006","96.514","0.005","639.63","0.11","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C26 H36 B2 O7 -","- C26 H36 B2 O7 -","- C26 H36 B2 O7 -","1","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Two-dimensional hydrogen-bonded networks in crystals of diboronic acids","CrystEngComm","2006","","","33","35","10.1039/b516402h","","","1.54178","CuKα","","0.0749","0.0719","","","0.1756","0.1764","","","","","","1.113","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203218","6.7104","0.0004","7.4452","0.0004","14.1376","0.0008","94.672","0.002","102.78","0.003","98.325","0.003","676.83","0.07","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C26 H36 B2 O10 -","- C26 H36 B2 O10 -","- C26 H36 B2 O10 -","1","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Two-dimensional hydrogen-bonded networks in crystals of diboronic acids","CrystEngComm","2006","","","33","35","10.1039/b516402h","","","1.54178","CuKα","","0.0773","0.0725","","","0.193","0.2043","","","","","","1.066","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203219","11.343","0.0002","5.0685","0.0001","11.581","0.0002","90","","103.737","0.001","90","","646.77","0.02","200","2","200","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 B2 O4 -","- C14 H12 B2 O4 -","- C28 H24 B4 O8 -","2","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Two-dimensional hydrogen-bonded networks in crystals of diboronic acids","CrystEngComm","2006","","","33","35","10.1039/b516402h","","","1.54178","CuKα","","0.0367","0.0353","","","0.103","0.1048","","","","","","1.088","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203220","21.348","0.003","19.231","0.003","22.047","0.003","90","","105.139","0.003","90","","8737","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Fullerene [70] phenol co-crystallisate","","- C170 H30 O5 -","- C170 H25 O5 -","- C680 H100 O20 -","4","1","","Schulz-Dobrick, Martin; Panthöfer, Martin; Jansen, Martin","Crystal structure of the supramolecular adduct 2 C70·5 C6H5OH containing hydrogen-bonded rings of phenol","CrystEngComm","2006","8","2","163","","10.1039/b516427c","","x-ray","0.71073","MoKα","","0.1996","0.1243","","","0.1067","0.1241","","","","2.99","2.99","2.47","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203221","12.948","0.001","7.334","0.001","13.849","0.001","90","","115.35","0.01","90","","1188.5","0.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","hexaamminecobalt(iii) dichloride selenocaynide","hexaamminecobalt(III) dichloride selenocaynide","","- C H18 Cl2 Co N7 Se -","- C H18 Cl2 Co N7 Se -","- C4 H72 Cl8 Co4 N28 Se4 -","4","0.5","","Pal Sharma, Raj; Bala, Ritu; Sharma, Rajni; Venugopalan, Paloth","‘Rings and rectangles’ mediated through weak interactions in ionic solids: Synthesis and packing analysis of [Co(NH3)6]Cl2SeCN and [Co(NH3)6]3Cl4(N3)5 in the crystalline state","CrystEngComm","2006","8","3","215","","10.1039/b516629b","","","0.71073","MoKα","","0.035","0.0328","","","0.0771","0.0785","","","","","","1.117","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203222","7.115","0.001","10.121","0.002","23.154","0.004","90","","90","","90","","1667.3","0.5","293","2","293","2","","","","","","","","4","I 2 2 2","I 2 2","23","","hexaamminecobalt(III) chloride diazide","","- Cl4 Co3 H54 N33 -","- Cl4 Co3 H54 N33 -","- Cl8 Co6 H108 N66 -","2","0.25","","Pal Sharma, Raj; Bala, Ritu; Sharma, Rajni; Venugopalan, Paloth","‘Rings and rectangles’ mediated through weak interactions in ionic solids: Synthesis and packing analysis of [Co(NH3)6]Cl2SeCN and [Co(NH3)6]3Cl4(N3)5 in the crystalline state","CrystEngComm","2006","8","3","215","","10.1039/b516629b","","","0.71073","MoKα","","0.0322","0.0275","","","0.0679","0.0706","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203223","12.924","0.003","11.081","0.002","23.689","0.005","90","","90","","90","","3392.5","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1,2-bis-(4-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H19 F2 N O -","- C22 H19 F2 N O -","- C176 H152 F16 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0373","0.0332","","","0.0849","0.088","","","","","","1.029","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203224","10.728","0.003","8.023","0.002","39.71","0.011","90","","90","","90","","3417.9","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(3-Fluorophenyl)- 2- (4-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H19 F2 N O -","- C22 H19 F2 N O -","- C176 H152 F16 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.1118","0.0517","","","0.1017","0.1348","","","","","","1.003","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203225","16.628","0.006","45.589","0.012","9.044","0.003","90","","90","","90","","6856","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","1,2-bis-(3-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H18 F2 N O -","- C22 H17 F2 N O -","- C352 H272 F32 N16 O16 -","16","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0283","0.0276","","","0.075","0.0757","","","","","","1.054","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203226","15.952","0.004","17.98","0.004","6.0391","0.0014","90","","90","","90","","1732.1","0.7","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H20 F N O -","- C22 H17 F N O -","- C88 H68 F4 N4 O4 -","4","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.1171","0.0842","","","0.2209","0.2455","","","","","","0.982","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203227","16.1076","0.0011","9.1597","0.0006","23.6002","0.0016","90","","107.116","0.001","90","","3327.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 F N O -","- C22 H19 F N O -","- C176 H152 F8 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0455","0.0413","","","0.098","0.1004","","","","","","1.098","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203228","13.233","0.004","11.129","0.003","23.205","0.007","90","","90","","90","","3417.4","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F N O -","- C22 H20 F N O -","- C176 H160 F8 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0443","0.0375","","","0.0902","0.0947","","","","","","1.031","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203229","16.4791","0.0009","21.8079","0.0012","7.8598","0.0004","90","","104.85","0.03","90","","2730.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,7-Dimethoxy-5,10-bis(p-anisyl)-5,10-dihydrophenazine tricyanomethanide","","- C32 H26 N5 O4 -","- C32 H26 N5 O4 -","- C128 H104 N20 O16 -","4","0.5","","McKay, Scott E.; Wheeler, Kraig A.; Blackstock, Silas C.","A molecular salt of tricyanomethanide anion and a N,N′-dianisylphenazinium dication: cooperative affects of methoxy⋯methoxy and CN⋯N+ intermolecular contacts","CrystEngComm","2006","8","2","129","","10.1039/b516674h","","","0.71073","MoKα","","0.0833","0.0574","","","0.1461","0.1652","","","","","","1.104","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203230","6.9997","0.0004","16.426","0.0009","20.3312","0.0018","90","","90","","90","","2337.6","0.3","293","2","293","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","","","- C10 H26 Na4 O20 -","- C10 H2 Na4 O20 -","- C40 H8 Na16 O80 -","4","1","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small><sub>4</sub></small>bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0949","0.0589","","","0.1404","0.1582","","","","","","1.039","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203231","7.3778","0.0004","20.1493","0.0006","10.4963","0.0004","90","","103.466","0.008","90","","1517.46","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H28 Mn Na2 O26 -","- C20 H28 Mn Na2 O26 -","- C40 H56 Mn2 Na4 O52 -","2","0.25","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small><sub>4</sub></small>bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0253","0.023","","","0.0629","0.0642","","","","","","1.091","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203232","7.2862","0.0004","20.1165","0.0007","10.4032","0.0003","90","","103.366","0.009","90","","1483.52","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H28 Na2 Ni O26 -","- C20 H28 Na2 Ni O26 -","- C40 H56 Na4 Ni2 O52 -","2","0.25","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small><sub>4</sub></small>bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0486","0.0376","","","0.0812","0.0851","","","","","","1.125","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203233","18.309","0.003","16.716","0.003","18.722","0.003","90","","91.812","0.003","90","","5727.1","1.7","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","AgBF4rev2","","","- C28 H28 Ag B F4 N4 O2 S2 -","- C28 H28 Ag B F4 N4 O2 S2 -","- C224 H224 Ag8 B8 F32 N32 O16 S16 -","8","2","","Russell, Jennifer M.; Parker, Andrew D. M.; Radosavljevic-Evans, Ivana; Howard, Judith A. K.; Steed, Jonathan W.","Anion-binding mode in a sulfanylphenyl urea complex: solid state symmetry breaking and solution chelation","CrystEngComm","2006","8","2","119","","10.1039/b516962c","","","0.71073","MoKα","","0.2219","0.1685","","","0.3604","0.3801","","","","","","1.113","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203234","18.2449","0.0009","16.2679","0.0008","18.9904","0.001","90","","90","","90","","5636.5","0.5","120","","120","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Ag N5 O5 S2 -","- C28 H28 Ag N5 O5 S2 -","- C224 H224 Ag8 N40 O40 S16 -","8","1","","Russell, Jennifer M.; Parker, Andrew D. M.; Radosavljevic-Evans, Ivana; Howard, Judith A. K.; Steed, Jonathan W.","Anion-binding mode in a sulfanylphenyl urea complex: solid state symmetry breaking and solution chelation","CrystEngComm","2006","8","2","119","","10.1039/b516962c","","","0.71073","MoKα","","0.0621","0.0338","","0.0779","0.0752","0.0752","","","","","","0.9004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203235","9.3134","0.001","11.0006","0.0008","12.5519","0.0014","90","","97.193","0.013","90","","1275.9","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Br F4 N -","- C15 H6 Br F4 N -","- C60 H24 Br4 F16 N4 -","4","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0359","0.028","","","0.0673","0.0702","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203236","7.2037","0.0017","8.087","0.0018","13.661","0.003","81.226","0.018","79.789","0.018","62.434","0.016","692","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H2 Br F8 N -","- C15 H2 Br F8 N -","- C30 H4 Br2 F16 N2 -","2","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0656","0.0479","","","0.115","0.1248","","","","","","1.003","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203237","7.8616","0.001","8.3583","0.0011","10.1162","0.0014","91.004","0.011","95.029","0.011","107.029","0.01","632.49","0.15","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H6 Br F4 N -","- C15 H6 Br F4 N -","- C30 H12 Br2 F8 N2 -","2","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0561","0.0512","","","0.1343","0.1379","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203238","9.9795","0.0013","13.3572","0.0014","16.7277","0.0019","104.434","0.009","104.567","0.009","102.171","0.009","1999","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 Br N -","- C15 H10 Br N -","- C105 H70 Br7 N7 -","7","3.5","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0837","0.0641","","","0.1523","0.1638","","","","","","1.074","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203239","20.976","0.007","9.346","0.0017","9.903","0.003","90","","106.98","0.02","90","","1856.8","0.9","240","2","240","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag2 N4 O10 -","- C7 H6 Ag N2 O5 -","- C56 H48 Ag8 N16 O40 -","8","1","","Adeline Y. Robin; Jorge L. Sagué; Katharina M. Fromm","Part 1. Solubility effect on the formation of coordination polymer networks between AgNO<small><sub>3</sub></small> and <strong>L</strong> (<strong>L</strong> = ethanediyl bis(isonicotinate) as a function of solvent","CrystEngComm","2006","8","5","403","","10.1039/b517191a","","","0.71073","MoKα","","0.0854","0.0733","","","0.1742","0.1885","","","","","","0.868","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203240","6.1591","0.0013","8.895","0.003","14.439","0.003","93.15","0.02","99.898","0.016","91.43","0.02","777.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Ag N3 O7 -","- C14 H12 Ag N3 O7 -","- C28 H24 Ag2 N6 O14 -","2","1","","Adeline Y. Robin; Jorge L. Sagué; Katharina M. Fromm","Part 1. Solubility effect on the formation of coordination polymer networks between AgNO<small><sub>3</sub></small> and <strong>L</strong> (<strong>L</strong> = ethanediyl bis(isonicotinate) as a function of solvent","CrystEngComm","2006","8","5","403","","10.1039/b517191a","","","0.71073","MoKα","","0.0408","0.0312","","","0.0686","0.0732","","","","","","1.07","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203241","5.4567","0.0003","6.8657","0.0005","18.9798","0.0012","84.785","0.003","90.874","0.002","75.585","0.003","685.3","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","1:2 pyrazine/undecanoic acid","","","- C26 H48 N2 O4 -","- C26 H48 N2 O4 -","- C26 H48 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.09","0.0637","","","0.1475","0.1667","","","","","","1.084","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203242","5.4447","0.0002","6.9028","0.0003","20.307","0.008","89.796","0.001","88.441","0.001","75.432","0.001","738.4","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","1:2 pyrazine/dodecanoic acid","","","- C28 H52 N2 O4 -","- C28 H52 N2 O4 -","- C28 H52 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.0639","0.0558","","","0.164","0.1724","","","","","","1.088","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203243","5.4407","0.0009","6.8439","0.0011","21.498","0.004","84.694","0.003","92.957","0.003","75.574","0.003","769.6","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","2:1 pyrazine/tridecanoic acid","","","- C30 H56 N2 O4 -","- C30 H56 N2 O4 -","- C30 H56 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.176","0.0809","","","0.1857","0.2334","","","","","","0.961","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203244","17.087","","18.792","","14.191","","113.58","","109.77","","73.52","","3871.49","","","","","","","","","","","","","3","P -1","-P 1","2","","","","?","- C96 N16 O16 -","- C96 N16 O16 -","","","","Ramasamy P. Pandian; Young-Il Kim; Patrick M. Woodward; Jay L. Zweier; Periakaruppan T. Manoharan; Periannan Kuppusamy","The open molecular framework of paramagnetic lithium octabutoxy-naphthalocyanine: implications for the detection of oxygen and nitric oxide using EPR spectroscopy","Journal of Materials Chemistry","2006","16","36","3609","","10.1039/b517976a","","","","","","","","","","","","","","","","","","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203245","23.1926","0.0016","14.9481","0.0011","28.015","0.002","90","","103.536","0.001","90","","9442.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H128 O28 Ti6 -","- C88 H128 O28 Ti6 -","- C352 H512 O112 Ti24 -","4","1","","Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert","Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters","Journal of Materials Chemistry","2006","16","32","3268","","10.1039/b518277h","","","0.71073","MoKα","","0.2136","0.0707","","","0.1642","0.1978","","","","","","0.722","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203246","15.1389","0.0006","27.919","0.0011","28.2235","0.0011","90","","93.822","0.001","90","","11902.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C120 H142 O38 Zr6 -","- C120 H138 O38 Zr6 -","- C480 H552 O152 Zr24 -","4","1","","Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert","Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters","Journal of Materials Chemistry","2006","16","32","3268","","10.1039/b518277h","","","0.71073","MoKα","","0.1472","0.0768","","","0.1948","0.2234","","","","","","0.965","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203247","15.621","0.004","15.641","0.004","30.8","0.008","99.36","0.006","95.793","0.005","113.343","0.005","6703","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C124 H152 O39 Zr6 -","- C124 H147 O39 Zr6 -","- C248 H294 O78 Zr12 -","2","1","","Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert","Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters","Journal of Materials Chemistry","2006","16","32","3268","","10.1039/b518277h","","","0.71073","MoKα","","0.193","0.0975","","","0.2308","0.2728","","","","","","0.927","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203248","11.39","0.001","12.091","0.002","14.386","0.003","74.85","0.02","78.45","0.02","68.7","0.02","1769.5","0.6","173.1","","","","","","","","","","","5","P -1","-P 1","2","4-(1',3'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)- benzoic acid 3,5-bis-(1'',3''-oxyl-4'',4'',5'',5''-tetramethyl- imidazolin-2''-yl)-phenyl ester","4-(1',3'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)-benzoic acid 3,5-bis- (1'',3''-oxyl-4'',4'',5'',5''-tetramethyl-imidazolin-2''-yl)-phenyl ester","","- C34.5 H44 Cl N6 O8 -","- C34.5 H43 Cl N6 O8 -","- C69 H86 Cl2 N12 O16 -","2","1","","Kanzaki, Yuki; Shiomi, Daisuke; Kaneda, Chika; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Clustering of molecular spins in the crystals of nitronylnitroxide and iminonitroxide triradicals based on benzene-1,3,5-triyl frameworks","Journal of Materials Chemistry","2006","16","21","2064","","10.1039/b518416a","","","0.7107","MoKα","","","0.072","","","","0.219","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203249","11.28","0.007","11.995","0.007","14.345","0.009","74.99","0.02","78.72","0.03","69.63","0.02","1745.5","1.9","293.1","","","","","","","","","","","5","P -1","-P 1","2","4-(1'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)-benzoic acid 3,5-bis-(1''-oxyl-4'',4'',5'',5''-tetramethyl-imidazolin-2''-yl)- phenyl ester","4-(1'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)-benzoic acid 3,5-bis- (1''-oxyl-4'',4'',5'',5''-tetramethyl-imidazolin-2''-yl)-phenyl ester","","- C34.5 H43 Cl N6 O5 -","- C34.5 H43 Cl N6 O5 -","- C69 H86 Cl2 N12 O10 -","2","1","","Kanzaki, Yuki; Shiomi, Daisuke; Kaneda, Chika; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Clustering of molecular spins in the crystals of nitronylnitroxide and iminonitroxide triradicals based on benzene-1,3,5-triyl frameworks","Journal of Materials Chemistry","2006","16","21","2064","","10.1039/b518416a","","","0.7107","MoKα","","","0.099","","","","0.166","","","","","","0.973","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203250","16.2521","0.0007","16.252","","15.5357","0.0007","90","","90","","90","","4103.4","0.3","100","2","100","2","","","","","","","","6","I 1 2 1","I 2y","5","5,10,15,20-Tetrakis(5'-methyl-2'-thienyl)porphyrin bis(trifluoroacetate)","","","- C44 H32 F6 N4 O4 S4 -","- C44 H32 F6 N4 O4 S4 -","- C176 H128 F24 N16 O16 S16 -","4","1","","Brückner, Christian; Foss, Paul C. D.; Sullivan, James O.; Pelto, Ryan; Zeller, Matthias; Birge, Robert R.; Crundwell, Guy","Origin of the bathochromically shifted optical spectra of meso-tetrathien-2'- and 3'-ylporphyrins as compared to meso-tetraphenylporphyrin.","Physical chemistry chemical physics : PCCP","2006","8","20","2402","2412","10.1039/b600010j","","","0.71073","MoKα","","0.0777","0.0775","","","0.1824","0.1825","","","","","","1.162","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203251","27.0966","0.0012","9.2018","0.0004","13.7101","0.0005","90","","95.859","0.002","90","","3400.6","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H61 Br N2 O -","- C31 H61 Br N2 O -","- C124 H244 Br4 N8 O4 -","4","1","","Chiou, Josh Y. Z.; Chen, J. N.; Lei, J. S.; Lin, Ivan J. B.","Ionic liquid crystals of imidazolium salts with a pendant hydroxyl group","Journal of Materials Chemistry","2006","16","29","2972","","10.1039/b600045b","","","0.71073","MoKα","","0.1252","0.0448","","","0.1079","0.129","","","","","","0.795","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203252","10.441","0.01","16.283","0.015","10.634","0.004","90","","100.42","0.05","90","","1778","2","120","2","120","2","","","","","","","Gareth Bates","5","P 1 21 1","P 2yb","4","","","","- C36 H48 Br Cl2 N5 -","- C36 H48 Br Cl2 N5 -","- C72 H96 Br2 Cl4 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0924","0.0603","","","0.1247","0.1368","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203253","10.4518","0.0005","16.2074","0.0008","10.5977","0.0003","90","","99.626","0.002","90","","1769.94","0.13","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21 1","P 2yb","4","","","","- C37 H50 Cl3 N5 -","- C37 H50 Cl3 N5 -","- C74 H100 Cl6 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0877","0.0575","","","0.1417","0.1582","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203254","10.6105","0.0004","16.9689","0.0009","18.5412","0.001","90","","105.356","0.003","90","","3219.1","0.3","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Br N5 -","- C36 H48 Br N5 -","- C144 H192 Br4 N20 -","4","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.1431","0.0574","","","0.0936","0.1154","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203255","10.3713","0.0004","16.0168","0.0006","10.5997","0.0002","90","","99.974","0.002","90","","1734.16","0.1","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21 1","P 2yb","4","","","","- C36 H48 Cl3 N5 -","- C36 H48 Cl3 N5 -","- C72 H96 Cl6 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0708","0.0432","","","0.0825","0.0917","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203256","21.91","0.002","21.91","","20.559","0.002","90","","90","","120","","8547.1","1.1","150","2","150","2","","","","","","","","5","P 61","P 61","169","(C9H10N2O2)6.(CHCl3)","o-Acetamidobenzamide Chloroform (6/1)","","- C9.17 H10.17 Cl0.5 N2 O2 -","- C9.16667 H10.1667 Cl0.5 N2 O2 -","- C330 H366 Cl18 N72 O72 -","36","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.0766","0.0583","","","0.1406","0.1541","","","","","","1.039","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203257","9.604","0.0009","17.5606","0.0016","18.3598","0.0017","72.468","0.002","86.767","0.002","75.422","0.002","2856.9","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C3H8O)","o-Acetamidobenzamide 1-propanol solvate (6/1)","","- C9.5 H11.33 N2 O2.17 -","- C9.5 H11.3333 N2 O2.16667 -","- C114 H136 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.122","0.0617","","","0.1377","0.1688","","","","","","1.01","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203258","9.145","0.006","18.334","0.012","19.059","0.012","67.29","0.01","86.635","0.011","81.875","0.011","2918","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H10O)","o-Acetamidobenzamide 1-butanol solvate (6/1)","","- C9.67 H11.67 N2 O2.17 -","- C9.66667 H11.6667 N2 O2.16667 -","- C116 H140 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1938","0.1","","","0.2394","0.2935","","","","","","0.886","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203259","9.8722","0.0014","17.541","0.002","17.977","0.003","73.288","0.003","86.046","0.003","75.975","0.003","2892.7","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H10O)","o-Acetamidobenzamide 2-Butanol solvate (6/1)","","- C9.67 H11.67 N2 O2.17 -","- C9.66667 H11 N2 O2.16667 -","- C116 H132 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1124","0.0654","","","0.1497","0.1791","","","","","","1.025","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203260","9.2597","0.0012","17.732","0.002","19.021","0.002","71.009","0.002","87.503","0.003","75.724","0.003","2859.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(C9H10N2O2)6.(C2H4Cl2)","o-Acetamidobenzamide 1,2-Dichloroethane solvate (6/1)","","- C9.33 H10.67 Cl0.33 N2 O2 -","- C9.33333 H10 Cl0.333333 N2 O2 -","- C112 H120 Cl4 N24 O24 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1098","0.0679","","","0.1735","0.1986","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203261","9.746","0.01","17.664","0.018","18.548","0.019","73.29","0.016","85.649","0.018","75.83","0.02","2965","5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H8O2)","o-Acetamidobenzamide 1,4-Dioxane solvate (6/1)","","- C9.67 H11.33 N2 O2.33 -","- C9.66667 H10 N2 O2.33333 -","- C116 H120 N24 O28 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.3594","0.2059","","","0.391","0.4703","","","","","","1.127","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203262","5.2602","0.0004","9.29","0.001","16.674","0.003","90","","90","","90","","814.81","0.18","120","1","120","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Isopropyl-(R)-(-)-3,3-difluorolactate","","","- C6 H10 F2 O3 -","- C6 H10 F2 O3 -","- C24 H40 F8 O12 -","4","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0346","0.0331","","","0.088","0.0888","","","","","","1.036","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203263","18.8223","0.0006","5.1467","0.0001","7.7739","0.0003","90","","90","","90","","753.08","0.04","120","1","120","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hexamethylene-(R,R)-bis(3,3-difluorolactate)","","","- C12 H18 F4 O6 -","- C12 H18 F4 O6 -","- C24 H36 F8 O12 -","2","0.5","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0554","0.0473","","","0.0969","0.0994","","","","","","1.216","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203264","8.6464","0.0003","5.6435","0.0001","10.8654","0.0004","90","","109.451","0.001","90","","499.93","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Isopropyl-(S)-(-)-3,3,3-trichlorolactate","","","- C6 H9 Cl3 O3 -","- C6 H9 Cl3 O3 -","- C12 H18 Cl6 O6 -","2","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0271","0.0266","","","0.0657","0.0659","","","","","","1.172","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203265","21.7785","0.0017","5.7582","0.0002","8.4827","0.0007","90","","90","","90","","1063.77","0.13","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(-)-Octamethylene-(S,S)-bis(3,3,3-trichlorolactate)","","","- C14 H20 Cl6 O6 -","- C14 H20 Cl6 O6 -","- C28 H40 Cl12 O12 -","2","0.5","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0505","0.0424","","","0.0883","0.0908","","","","","","1.176","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203266","9.2129","0.0001","6.6622","0.0002","12.5141","0.0003","90","","103.89","0.002","90","","745.63","0.03","296","1","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","(+)-(S)-1-Phenylethylammonium-(S)-3,3,3-trichlorolactate","","","- C11 H14 Cl3 N O3 -","- C11 H14 Cl3 N O3 -","- C22 H28 Cl6 N2 O6 -","2","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0726","0.0607","","","0.1499","0.1562","","","","","","1.117","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203267","14.958","0.0005","14.166","0.0004","12.105","0.0004","90","","99.174","0.002","90","","2532.18","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H44 Co N2 O18 S2 -","- C8 H44 Co N2 O18 S2 -","- C32 H176 Co4 N8 O72 S8 -","4","1","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.0718","0.031","","0.0651","0.0591","0.0651","","","","","","0.6573","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203268","6.9495","0.0002","16.0265","0.0005","14.7693","0.0005","90","","101.867","0.002","90","","1609.79","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H60 Co N2 O18 S2 -","- C16 H60 Co N2 O18 S2 -","- C32 H120 Co2 N4 O36 S4 -","2","0.5","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.0805","0.0412","","0.0849","0.0774","0.0849","","","","","","0.8407","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203269","15.2597","0.0004","23.4134","0.0006","16.9043","0.0003","90","","101.739","0.001","90","","5913.3","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H49 Co N O11 -","- C22 H49 Co N O11 -","- C176 H392 Co8 N8 O88 -","8","2","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.1341","0.054","","0.152","0.1338","0.152","","","","","","0.8225","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203270","19.257","0.001","19.257","","27.718","0.002","90","","90","","90","","10278.7","0.9","153","2","153","2","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- C176 H50 O5 -","- C176 H48 O5 -","- C704 H192 O20 -","4","0.25","","Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.; Barbour, Leonard J.; Turner, Peter","Endo- versus?exo-cavity interplay of p-benzylcalix[4]arene with spheroidal molecules","CrystEngComm","2006","8","4","306","","10.1039/b600550k","","","0.55","synchrotron","","0.1367","0.1293","","","0.3701","0.3816","","","","","","0.967","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203271","21.2568","0.0004","10.0977","0.0003","26.6014","0.0009","90","","113.269","0.001","90","","5245.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 B10 O4 -","- C58 H60 B10 O4 -","- C232 H240 B40 O16 -","4","1","","Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.; Barbour, Leonard J.; Turner, Peter","Endo- versus?exo-cavity interplay of p-benzylcalix[4]arene with spheroidal molecules","CrystEngComm","2006","8","4","306","","10.1039/b600550k","","","0.7107","MoKα","","0.3208","0.0787","","","0.108","0.1499","","","","","","0.958","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203272","13.773","0.002","13.773","0.002","6.998","0.002","90","","90","","120","","1149.6","0.4","294","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C16.5 H27.5 O2 -","- C16.5 H28.5 O2 -","- C49.5 H85.5 O6 -","3","0.5","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.051","","","","0.067","","","","","","1.68","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203273","7.328","0.002","13.46","0.002","19.037","0.004","90","","91.87","0.01","90","","1876.7","0.7","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 F3 O4 -","- C17 H27 F3 O4 -","- C68 H108 F12 O16 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.116","","","","0.173","","","","","","2.22","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203274","7.037","0.002","13.661","0.002","18.194","0.005","90","","107.19","0.01","90","","1670.9","0.7","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 O3 -","- C17 H32 O3 -","- C68 H128 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.06","","","","0.106","","","","","","1.89","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203275","7.536","0.003","13.657","0.003","17.238","0.007","90","","106.91","0.02","90","","1697.4","1.1","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 O4 -","- C17 H30 O4 -","- C68 H120 O16 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.065","","","","0.081","","","","","","1.77","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203276","6.908","0.004","13.833","0.005","18.981","0.007","90","","97.99","0.02","90","","1796.2","1.4","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 O3 -","- C18 H34 O3 -","- C72 H136 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.068","","","","0.092","","","","","","1.85","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203277","7.777","0.004","14.093","0.007","15.21","0.007","86.12","0.03","82.12","0.02","79.66","0.02","1622.9","1.4","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C33 H61 O7 -","- C33 H61 O7 -","- C66 H122 O14 -","2","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.076","","","","0.092","","","","","","1.89","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203278","6.991","0.004","13.781","0.006","20.216","0.008","90","","97.6","0.03","90","","1930.6","1.6","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 O3 -","- C19 H36 O3 -","- C76 H144 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.107","","","","0.136","","","","","","1.99","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203279","7.3278","0.0002","21.8954","0.0008","11.7204","0.0004","90","","97.01","","90","","1866.42","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Co N4 O4 -","- C22 H14 Co N4 O4 -","- C88 H56 Co4 N16 O16 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1027","0.0733","","","0.136","0.151","","","","","","1.252","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203280","7.2779","0.0011","21.675","0.003","11.786","0.002","90","","97.484","0.007","90","","1843.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N4 Ni O4 -","- C22 H14 N4 Ni O4 -","- C88 H56 N16 Ni4 O16 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1059","0.069","","","0.1188","0.1319","","","","","","1.11","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203281","13.4816","0.0005","22.1896","0.0008","12.2588","0.0004","90","","116.196","0.001","90","","3290.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Co N8 O5 -","- C36 H26 Co N8 O5 -","- C144 H104 Co4 N32 O20 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0996","0.0618","","","0.1187","0.1374","","","","","","1.236","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203282","17.5096","0.0004","33.7329","0.0007","15.2861","0.0004","90","","98.121","0.001","90","","8938.2","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C88 H69 Co4 N20 O19 -","- C88 H54 Co4 N20 O19 -","- C352 H216 Co16 N80 O76 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0924","0.0685","","","0.15","0.1711","","","","","","1.134","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203283","11.3758","0.0018","11.982","0.002","12.6203","0.0019","104.568","0.006","97.853","0.002","108.063","0.006","1539.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 Co2 N16 O8 -","- C66 H42 Co2 N16 O8 -","- C66 H42 Co2 N16 O8 -","1","0.5","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0816","0.0559","","","0.1177","0.1345","","","","","","1.098","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203284","12.1901","0.0002","28.2433","0.0004","14.47","","90","","92.304","0.001","90","","4977.83","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 N12 Ni O7 -","- C50 H34 N12 Ni O7 -","- C200 H136 N48 Ni4 O28 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1515","0.1049","","","0.1843","0.2101","","","","","","1.321","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203285","10.1051","0.0006","28.8085","0.0018","4.838","0.0002","90","","103.868","0.01","90","","1367.35","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Gelbrich, Thomas; Hursthouse, Michael B.","Systematic investigation of the relationships between 25 crystal structures containing the carbamazepine molecule or a close analogue: a case study of the XPac method","CrystEngComm","2006","8","6","448","","10.1039/b600753h","","","0.71073","MoKα","","0.1038","0.0506","","","0.077","0.0856","","","","","","1.171","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203286","51.227","0.003","51.227","0.003","12.8243","0.0008","90","","90","","120","","29145","3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C300 H426 Fe30 O168 -","- C300 H426 Fe30 O168 -","- C900 H1278 Fe90 O504 -","3","0.166667","","Jiang, Guoqing; Li, Yizhi; Hua, Weijie; Song, You; Bai, Junfeng; Li, Shuhua; Scheer, Manfred; You, Xiaozeng","A supramolecular assembly of {Fe10} molecular wheels with tubular structures","CrystEngComm","2006","8","5","384","","10.1039/b600875e","","","0.71073","MoKα","","0.0885","0.0598","","","0.1171","0.1222","","","","","","1.064","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203287","11.104","0.0004","12.3528","0.0005","12.8493","0.0005","112.138","0.002","98.411","0.002","103.464","0.002","1533.17","0.11","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C62 H58 B2 Cu F8 N6 S5 -","- C62 H58 B2 Cu F8 N6 S5 -","- C62 H58 B2 Cu F8 N6 S5 -","1","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0244","0.0231","","","0.0583","0.0592","","","","","","1.026","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203288","16.743","0.0006","20.5911","0.0007","30.9059","0.0011","90","","90","","90","","10655","0.6","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C52 H52 B2 Cu F8 N5 O0.5 S4 -","- C52 H52 B1.5 Cu F6 N5 O0.5 S4 -","- C416 H416 B12 Cu8 F48 N40 O4 S32 -","8","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0924","0.0594","","","0.1596","0.1774","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203289","17.1827","0.0007","20.0047","0.0009","14.4205","0.0006","90","","103.157","0.002","90","","4826.7","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 Cl2 Cu N4 O8 S4 -","- C48 H44 Cl2 Cu N4 O8 S4 -","- C192 H176 Cl8 Cu4 N16 O32 S16 -","4","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0404","0.03","","","0.0736","0.0796","","","","","","1.032","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203290","14.7535","0.0008","10.3848","0.0006","35.2904","0.0019","90","","99.713","0.002","90","","5329.4","0.5","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H51 Cl2 Cu N4 O9.5 S4 -","- C50 H44 Cl2 Cu N4 O9.5 S4 -","- C200 H176 Cl8 Cu4 N16 O38 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0868","0.0671","","","0.1611","0.1736","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203291","10.4903","0.0004","23.5948","0.0008","19.4528","0.0007","90","","100.126","0.002","90","","4739.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cu N6 O6 S4 -","- C48 H44 Cu N6 O6 S4 -","- C192 H176 Cu4 N24 O24 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0402","0.0304","","","0.079","0.0864","","","","","","1.04","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203292","10.4434","0.0005","16.95","0.0008","30.3408","0.0013","90","","92.81","0.002","90","","5364.3","0.4","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C108 H103 Cu2 N13 O14 S9 -","- C108 H99 Cu2 N13 O14 S9 -","- C216 H198 Cu4 N26 O28 S18 -","2","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.111","0.0578","","","0.1183","0.1427","","","","","","1.023","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203293","5.136","0.0006","7.5227","0.0008","25.623","0.003","90","","91.005","0.002","90","","989.83","0.19","295","1","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 N2 O4 -","- C26 H14 N2 O4 -","- C52 H28 N4 O8 -","2","0.5","","Ofir, Yuval; Zelichenok, Alexander; Yitzchaik, Shlomo","1,4;5,8-naphthalene-tetracarboxylic diimide derivatives as model compounds for molecular layer epitaxy","Journal of Materials Chemistry","2006","16","22","2142","","10.1039/b601258b","","","0.71073","MoKα","","0.1313","0.0644","","","0.1037","0.125","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203294","8.2649","0.0015","14.504","0.003","4.8883","0.0009","98.05","0.003","93.611","0.003","96.27","0.003","574.91","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H20 N2 O4 -","- C26 H20 N2 O4 -","1","0.5","","Ofir, Yuval; Zelichenok, Alexander; Yitzchaik, Shlomo","1,4;5,8-naphthalene-tetracarboxylic diimide derivatives as model compounds for molecular layer epitaxy","Journal of Materials Chemistry","2006","16","22","2142","","10.1039/b601258b","","","0.71073","MoKα","","0.1781","0.1401","","","0.3225","0.3502","","","","","","1.187","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203295","3.8917","0.0005","6.9999","0.0008","22.977","0.003","90","","90.798","0.002","90","","625.87","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E,E)-1,2-bis-4-chlorobenzaldazine","(E,E)-1,2-bis-4-chlorobenzaldazine","","- C14 H10 Cl2 N2 -","- C14 H10 Cl2 N2 -","- C28 H20 Cl4 N4 -","2","0.5","","Glaser, Rainer; Murphy, Richard F.; Sui, Yongqiang; Barnes, Charles L.; Kim, Sung Hoon","Multifurcated halogen bonding involving Ph?Cl?H?CPh?N?R? interactions and its relation to idioteloamphiphile layer architecture","CrystEngComm","2006","8","5","372","","10.1039/b601467d","","","0.71073","MoKα","","0.0348","0.0328","","","0.0851","0.0867","","","","","","1.079","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203296","13.6878","0.0002","16.3438","0.0003","22.3279","0.0005","77.892","0.001","86.092","0.001","83.936","0.001","4851.11","0.16","113","2","113","2","","","","","","","","5","P -1","-P 1","2","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^- tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane.5(2-picoline) clathrate","","- C106 H123 N5 O16 S4 -","- C106 H105 N5 O16 S4 -","- C212 H210 N10 O32 S8 -","2","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.0956","0.0546","","","0.1303","0.1515","","","","","","0.98","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203297","44.8472","0.0003","20.7901","0.0002","23.3348","0.0002","90","","117.239","0.001","90","","19344.1","0.3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^ -tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane. 4.5(3-picoline). 0.5(H2O) clathrate","","- C103 H120.5 N4.5 O16.5 S4 -","- C103 H102 N4.5 O17 S4 -","- C824 H816 N36 O136 S32 -","8","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.1296","0.0811","","","0.2117","0.2447","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203298","16.9366","0.0001","17.9477","0.0002","19.4997","0.0002","104.495","0.001","96.671","0.001","105.44","","5424.44","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^ -tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane. 6.5(4-picoline). 2(H2O) clathrate","","- C112 H130 N6 O16 S4 -","- C114.5 H105 N6.93 O18 S4 -","- C229 H210 N13.86 O36 S8 -","2","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.1114","0.0687","","","0.1768","0.2041","","","","","","1.043","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203299","9.0105","0.0013","11.5303","0.001","19.219","0.002","98.337","0.004","99.0796","0.0011","103.549","0.0008","1882.1","0.4","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Fe0.5 N O5 S17 -","- C27 H25 Fe0.5 N O5 S17 -","- C54 H50 Fe N2 O10 S34 -","2","1","","Keigo Furuta; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; Scott S. Turner","The first organic molecule-based metal containing ferrocene","Journal of Materials Chemistry","2006","16","16","1504","","10.1039/b601614f","","","0.71069","MoKα","","0.1012","0.0672","","0.043","0.0403","0.0403","","","","","","1.2661","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203300","9.086","0.003","10.859","0.003","16.278","0.004","104.921","0.018","97.54","0.03","103.68","0.02","1476","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H82 O2 -","- C70 H82 O2 -","- C70 H82 O2 -","1","0.5","","Smith, Rhett C.; Gleason, L. Beth; Protasiewicz, John D.","Solution and film photoluminescence of mesityl-substituted PPVs and low molecular weight models","Journal of Materials Chemistry","2006","16","25","2445","","10.1039/b601824f","","","0.71073","MoKα","","0.1229","0.0598","","","0.0784","0.085","","","","","","1.627","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203301","14.4629","0.0005","16.4777","0.0008","10.6768","0.0005","90","","108.359","0.003","90","","2414.94","0.19","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H40 N6 O12 -","- C60 H40 N6 O12 -","- C120 H80 N12 O24 -","2","0.5","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1465","0.0565","","","0.102","0.1301","","","","","","0.939","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203302","10.9364","0.0006","8.8819","0.0005","19.9898","0.0007","90","","101.773","0.003","90","","1900.88","0.16","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H27 Mn N4 O8 -","- C48 H27 Mn N4 O8 -","- C96 H54 Mn2 N8 O16 -","2","1","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1035","0.064","","","0.1347","0.155","","","","","","1.033","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203303","19.8264","0.0005","19.8264","0.0005","9.446","0.0002","90","","90","","90","","3713.09","0.15","110","2","110","2","","","","","","","","6","P 42","P 4c","77","","","","- C45 H31 Cl Mn N4 O5 -","- C45 H31 Cl Mn N4 O5 -","- C180 H124 Cl4 Mn4 N16 O20 -","4","1","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.094","0.0637","","","0.1656","0.192","","","","","","1.008","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203304","8.5521","0.0002","11.4432","0.0006","19.4875","0.0008","87.8501","0.0018","88.857","0.003","82.044","0.003","1887.22","0.13","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H72 Cu N8 O20 S4 -","- C80 H72 Cu N8 O20 S4 -","- C80 H72 Cu N8 O20 S4 -","1","0.5","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1016","0.0529","","","0.1141","0.1364","","","","","","1.012","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203305","6.121","0.002","7.073","0.003","45.3","0.02","90","","90","","90","","1961.2","1.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Xia, Wujiong; Yang, Chao; Scheffer, John R.; Patrick, Brian O.","Engineering acyclic alkyl aryl ketones for enantioselective Norrish/Yang type II photochemistry in the crystalline state","CrystEngComm","2006","8","5","388","","10.1039/b601903j","","","0.71073","MoKα","","0.1562","0.1381","","","0.3567","0.3664","","","","","","1.426","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203306","9.4944","0.0002","10.6542","0.0003","12.8614","0.0003","90","","90","","90","","1301","0.05","173","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Xia, Wujiong; Yang, Chao; Scheffer, John R.; Patrick, Brian O.","Engineering acyclic alkyl aryl ketones for enantioselective Norrish/Yang type II photochemistry in the crystalline state","CrystEngComm","2006","8","5","388","","10.1039/b601903j","","","0.71073","MoKα","","0.0681","0.0514","","","0.1243","0.1303","","","","","","1.126","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203307","6.2453","0.0006","10.1233","0.001","16.8774","0.0017","93.037","0.002","92.521","0.002","90.826","0.002","1064.36","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetylacetone","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetylacetone","","- C19.25 H11 Cl3 N6 O3.5 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0551","0.0429","","","0.0987","0.1027","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203308","6.2482","0.0007","10.1684","0.0012","16.8235","0.0019","86.796","0.002","87.072","0.002","89.309","0.002","1065.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetone","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetone","","- C19.59 H12.18 Cl3 N6 O3.53 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0526","0.042","","","0.0975","0.1023","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203309","6.2474","0.0013","10.134","0.002","16.828","0.004","93.843","0.003","92.715","0.003","90.321","0.003","1061.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, ethylacetate","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, ethylacetate","","- C19.52 H12.04 Cl3 N6 O3.76 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0839","0.0569","","","0.1333","0.1411","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203310","17.249","0.0009","17.249","0.0009","12.0227","0.0012","90","","90","","120","","3097.9","0.4","298","2","298","2","","","","","","","","5","P 63","P 6c","173","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine","","- C18 H9 Cl3 N6 O3 -","- C18 H9 Cl3 N6 O3 -","- C108 H54 Cl18 N36 O18 -","6","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.085","0.0663","","","0.1769","0.191","","","","","","1.036","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203311","6.3045","0.0007","10.1891","0.0011","17.0142","0.0019","93.247","0.002","92.607","0.002","90.35","0.002","1090","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, nitromethane","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, nitromethane","","- C18.55 H10.65 Cl3 N6.55 O4.1 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.1356","0.0586","","","0.1061","0.1229","","","","","","0.882","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203312","6.2589","0.0005","10.1316","0.0008","16.8663","0.0013","86.024","0.001","87.527","0.001","88.201","0.001","1065.54","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2, 4, 6-tris(2-chloro-3-pyridinoxy)-1 ,3, 5-triazine, ethylmethylketone","2, 4, 6-tris(2-chloro-3-pyridinoxy)-1 ,3, 5-triazine, ethylmethylketone","","- C20 H13 Cl3 N6 O3.5 -","- C20 H12 Cl3 N6 O3.5 -","- C40 H24 Cl6 N12 O7 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0625","0.0455","","","0.1079","0.1168","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203313","40.092","0.008","10.399","0.002","17.253","0.003","90","","92.43","0.03","90","","7187","2","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 Cr2 Mn3 N27 O8 -","- C57 H71 Cr2 Mn3 N27 O8 -","- C228 H284 Cr8 Mn12 N108 O32 -","4","1","","Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard","Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)","Journal of Materials Chemistry","2006","16","26","2660","","10.1039/b602055k","","","0.71073","MoKα","","0.0927","0.0744","","","0.1842","0.196","","","","","","1.073","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203314","9.7483","0.0002","11.5277","0.0003","11.6016","0.0003","68.5041","0.0011","86.9896","0.0011","78.3951","0.0012","1187.93","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H42 Cr Mn2 N13 O8 S -","- C37 H42 Cr Mn2 N13 O8 S -","- C37 H42 Cr Mn2 N13 O8 S -","1","0.5","","Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard","Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)","Journal of Materials Chemistry","2006","16","26","2660","","10.1039/b602055k","","","0.71073","MoKα","","0.0687","0.056","","","0.1778","0.191","","","","","","1.168","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203315","23.478","0.005","13.805","0.005","17.086","0.005","90","","125.9","0.005","90","","4486","2","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","MnLFe(CN)6","","","- C37 H49 Fe Mn2 N13 O7.5 S -","- C37 H42 Fe Mn2 N13 O7.5 S -","- C148 H168 Fe4 Mn8 N52 O30 S4 -","4","0.5","","Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard","Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)","Journal of Materials Chemistry","2006","16","26","2660","","10.1039/b602055k","","","0.71069","MoKα","","0.0506","0.0397","","","0.1053","0.1131","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203316","23.46","0.005","13.766","0.005","17.047","0.005","90","0.005","125.998","0.005","90","0.005","4454","2","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","MnLCo(CN)6","","","- C37 H49 Co Mn2 N13 O7.5 S -","- C37 H42 Co Mn2 N13 O7.5 S -","- C148 H168 Co4 Mn8 N52 O30 S4 -","4","0.5","","Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard","Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)","Journal of Materials Chemistry","2006","16","26","2660","","10.1039/b602055k","","","0.71069","MoKα","","0.0518","0.0399","","","0.1064","0.1148","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203317","22.29","0.003","8.5089","0.0009","19.112","0.002","90","0.005","107.798","0.012","90","0.005","3451.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(tba)(Fe(qdt)2)","","","- C32 H44 Fe N5 S4 -","- C32 H44 Fe N5 S4 -","- C128 H176 Fe4 N20 S16 -","4","0.5","","D. Simão; J. A. Ayllón; S. Rabaça; M. J. Figueira; I. C. Santos; R. T. Henriques; M. Almeida","[Fe(qdt)<small><sub>2</sub></small>]<small><sup>−</sup></small> salts; an undimerised Fe<small><sup>III</sup></small> bisdithiolene complex stabilised by cation interactions","CrystEngComm","2006","8","9","658","","10.1039/b602268e","","","0.71069","MoKα","","0.1572","0.0503","","","0.1169","0.1438","","","","","","0.962","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203318","10.6406","0.0012","11.3943","0.001","15.4041","0.0019","100.228","0.009","91.538","0.008","100.917","0.008","1801.1","0.3","293","2","295","2","","","","","","","","6","P -1","-P 1","2","(Ph)4As(Fe(qdt)2)","","","- C80 H56 As2 Fe2 N8 S8 -","- C80 H56 As2 Fe2 N8 S8 -","- C80 H56 As2 Fe2 N8 S8 -","1","0.5","","D. Simão; J. A. Ayllón; S. Rabaça; M. J. Figueira; I. C. Santos; R. T. Henriques; M. Almeida","[Fe(qdt)<small><sub>2</sub></small>]<small><sup>−</sup></small> salts; an undimerised Fe<small><sup>III</sup></small> bisdithiolene complex stabilised by cation interactions","CrystEngComm","2006","8","9","658","","10.1039/b602268e","","","0.71069","MoKα","","0.1233","0.0537","","","0.0821","0.0945","","","","","","0.949","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203319","19.6228","0.0008","10.4307","0.0004","12.7867","0.0005","90","","90","","90","","2617.18","0.18","123","2","123","2","","","","","","","","4","P n n a","-P 2a 2bc","52","silver(I) 2-methylimidazolate","","","- C22 H26 Ag4 N8 -","- C22 H26 Ag4 N8 -","- C88 H104 Ag16 N32 -","4","0.5","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","mokα","","0.0274","0.0249","","","0.0642","0.0656","","","","","","1.048","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203320","12.6836","0.0016","19.726","0.002","11.1137","0.0013","90","","101.835","0.003","90","","2721.5","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Ag4 N8 -","- C24 H30 Ag4 N8 -","- C96 H120 Ag16 N32 -","4","1","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","MoKα","","0.0507","0.0423","","","0.1048","0.1094","","","","","","1.047","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203321","7.8906","0.0007","5.9706","0.0005","10.8708","0.0009","90","","92.452","0.001","90","","511.67","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","MoKα","","0.0316","0.026","","","0.0506","0.0533","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203322","6.9605","0.0014","7.3662","0.0015","8.6496","0.0017","113.41","0.03","91.97","0.03","98.06","0.03","400.98","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 N2 Pd -","- C10 H10 Cl6 N2 Pd -","- C10 H10 Cl6 N2 Pd -","1","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0537","0.0512","","","0.1497","0.1518","","","","","","1.163","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203323","3.8783","0.0009","11.217","0.003","12.564","0.003","103.511","0.004","93.34","0.005","99.507","0.004","521.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl10 Cu3 N2 -","- C10 H10 Cl10 Cu3 N2 -","- C10 H10 Cl10 Cu3 N2 -","1","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0822","0.0726","","","0.1985","0.2084","","","","","","1.122","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203324","8.5802","0.001","16.7418","0.0019","7.0007","0.0008","90","","112.504","0.002","90","","929.06","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br2 Cl6 N2 Pt -","- C10 H10 Br2 Cl6 N2 Pt -","- C20 H20 Br4 Cl12 N4 Pt2 -","2","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0554","0.0508","","","0.1651","0.1685","","","","","","1.137","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203325","19.9608","0.001","17.0907","0.0009","21.2188","0.0011","90","","96.983","0.001","90","","7185","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 Cl4 Cu4 N20 O28.13 -","- C52 H48 Cl4 Cu4 N20 O28.134 -","- C208 H192 Cl16 Cu16 N80 O112.536 -","4","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.71073","MoKα","","0.0434","0.038","","","0.1024","0.1081","","","","","","1.053","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203326","13.02","0.0009","14.0538","0.001","16.5587","0.0012","90","","100.253","0.001","90","","2981.5","0.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H44 Mn4 N32 O6 -","- C48 H44 Mn4 N32 O6 -","- C96 H88 Mn8 N64 O12 -","2","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.71073","MoKα","","0.0948","0.0674","","","0.179","0.1962","","","","","","1.074","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203327","12.4058","0.0008","14.4617","0.001","22.1102","0.0015","72.629","0.001","80.747","0.001","78.257","0.001","3685.3","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H54 F12 Mn4 N16 O20 S4 -","- C57 H54 F12 Mn4 N16 O20 S4 -","- C114 H108 F24 Mn8 N32 O40 S8 -","2","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.71069","MoKα","","0.055","0.0449","","","0.1192","0.1275","","","","","","1.031","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203328","22.912","0.009","21.105","0.007","18.184","0.007","90","","128.679","0.007","90","","6864","4","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H49 Cl4 Cu4 N31 O20 -","- C46 H49 Cl4 Cu4 N31 O20 -","- C184 H196 Cl16 Cu16 N124 O80 -","4","0.5","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.7107","MoKα","","0.1217","0.1101","","","0.2878","0.2986","","","","","","1.133","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203329","13.9992","0.0013","22.318","0.002","29.476","0.003","90","","93.573","0.002","90","","9191.4","1.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81.5 H75 Cl4 Mn5 N25 O23.5 -","- C81.5 H73.5 Cl4 Mn5 N25 O23.5 -","- C326 H294 Cl16 Mn20 N100 O94 -","4","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.71073","MoKα","","0.1529","0.0745","","","0.1961","0.2436","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203330","16.8375","0.0019","23.483","0.003","23.61","0.003","90","","96.97","0.003","90","","9266","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 Cl4 Mn5 N42 O29 -","- C60 H60 Cl4 Mn5 N42 O29 -","- C240 H240 Cl16 Mn20 N168 O116 -","4","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.7107","MoKα","","0.1096","0.0979","","","0.2731","0.2906","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203331","27.9255","0.0013","27.9255","0.0013","40.217","0.002","90","","90","","90","","31363","3","153","2","153","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C102 H134 Mn9 N72 O58 -","- C102 H78 Mn9 N72 O58 -","- C816 H624 Mn72 N576 O464 -","8","0.25","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.7107","MoKα","","0.1356","0.1278","","","0.3008","0.3049","","","","","","1.348","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203332","20.9857","0.0014","20.9857","0.0014","17.3731","0.0012","90","","90","","90","","7651.1","0.9","153","2","153","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C102 H108.4 Cl10 Cu9 N66 O65.2 -","- C102 H82 Cl10 Cu9 N66 O65.2 -","- C204 H164 Cl20 Cu18 N132 O130.4 -","2","0.25","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.7107","MoKα","","0.1127","0.1023","","","0.2406","0.2479","","","","","","1.254","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203333","13.0139","0.0004","16.3755","0.0005","15.3571","0.0005","90","","99.636","0.002","90","","3226.56","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H64 Co2 N4 O12 -","- C76 H52 Co2 N4 O12 -","- C152 H104 Co4 N8 O24 -","2","0.5","","Guillem Aromí; Helen Stoeckli-Evans; Simon J. Teat; Joan Cano; Joan Ribas","Di- and trinuclear Co<small><sup>II</sup></small> complexes of a bis-β-diketone ligand with variable conformation: structure and magnetic studies","Journal of Materials Chemistry","2006","16","26","2635","","10.1039/b602831d","","","0.6898","synchrotron","","0.0622","0.0445","","","0.1241","0.1338","","","","","","1.048","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203334","11.1277","0.0009","11.9911","0.0009","15.5385","0.0012","88.681","0.006","78.05","0.006","79.383","0.006","1993.5","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H82 Co2 N6 O10 -","- C94 H82 Co2 N6 O10 -","- C94 H82 Co2 N6 O10 -","1","0.5","","Guillem Aromí; Helen Stoeckli-Evans; Simon J. Teat; Joan Cano; Joan Ribas","Di- and trinuclear Co<small><sup>II</sup></small> complexes of a bis-β-diketone ligand with variable conformation: structure and magnetic studies","Journal of Materials Chemistry","2006","16","26","2635","","10.1039/b602831d","","","0.71073","MoKα","","0.0638","0.0447","","","0.1152","0.1248","","","","","","1.035","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203335","14.979","0.004","15.001","0.004","16.832","0.008","110.075","0.009","106.062","0.009","106.923","0.007","3085.7","1.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H54 Co3 O15 -","- C75 H42 Co3 O15 -","- C150 H84 Co6 O30 -","2","1","","Guillem Aromí; Helen Stoeckli-Evans; Simon J. Teat; Joan Cano; Joan Ribas","Di- and trinuclear Co<small><sup>II</sup></small> complexes of a bis-β-diketone ligand with variable conformation: structure and magnetic studies","Journal of Materials Chemistry","2006","16","26","2635","","10.1039/b602831d","","","0.6897","synchrotron","","0.1382","0.125","","","0.3631","0.3908","","","","","","1.735","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203336","22.8942","0.0001","22.8942","0.0001","22.8942","0.0001","90","","90","","90","","11999.9","0.09","123","2","123","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C42.5 H84 F3 Fe8 N4 O28 -","- C42.5 H81 F3 Fe8 N4 O28 -","- C340 H648 F24 Fe64 N32 O224 -","8","0.333333","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.","Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively","Journal of Materials Chemistry","2006","16","26","2690","","10.1039/b602858f","","","0.71073","MoKα","","0.0362","0.0285","","","0.0642","0.0674","","","","","","1.118","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203337","15.7648","0.0002","15.7648","0.0002","21.1873","0.0005","90","","90","","120","","4560.19","0.14","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C66 H132 Fe7 N3 O33 -","- C66 H123 Fe7 N3 O33 -","- C132 H246 Fe14 N6 O66 -","2","0.333333","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.","Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively","Journal of Materials Chemistry","2006","16","26","2690","","10.1039/b602858f","","","0.71073","MoKα","","0.093","0.0568","","","0.1179","0.1319","","","","","","1.026","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203338","15.5829","0.0008","15.5829","0.0008","20.893","0.001","90","","90","","120","","4393.7","0.4","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C63 H126 Fe7 N3 O33 -","- C63 H120 Fe7 N3 O33 -","- C126 H240 Fe14 N6 O66 -","2","0.333333","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.","Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively","Journal of Materials Chemistry","2006","16","26","2690","","10.1039/b602858f","","","0.71073","MoKα","","0.1324","0.0979","","","0.1623","0.1751","","","","","","1.124","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203339","7.478","0.001","25.381","0.005","13.776","0.003","90","","90.7","0.02","90","","2614.5","0.8","93.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C57 H92 O10 -","- C57 H92 O10 -","- C114 H184 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0659","","","","0.168","","","","","","1.63","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203340","7.465","0.0001","25.3714","0.0005","13.7625","0.0003","90","","90.605","0.001","90","","2606.44","0.08","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H89 Cl O10 -","- C56 H89 Cl O10 -","- C112 H178 Cl2 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0994","","","","0.2495","","","","","","2.539","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203341","7.463","0.001","25.378","0.003","13.764","0.002","90","","90.63","0.01","90","","2606.7","0.6","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H86 Cl2 O10 -","- C55 H86 Cl2 O10 -","- C110 H172 Cl4 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0826","","","","0.217","","","","","","2.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203342","7.453","0.001","25.368","0.004","13.763","0.002","90","","90.51","0.02","90","","2602","0.7","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H86 Cl2 O10 -","- C55 H86 Cl2 O10 -","- C110 H172 Cl4 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0636","","","","0.166","","","","","","1.197","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203343","7.475","0.002","25.385","0.007","13.809","0.004","90","","90.67","0.02","90","","2620.1","1.3","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H89 Br O10 -","- C55 H86 Br O10 -","- C110 H172 Br2 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0924","","","","0.2567","","","","","","2.594","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203344","13.625","0.003","7.745","0.001","15.218","0.003","90","","112.357","0.008","90","","1485.2","0.5","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H51 N O5 -","- C32 H51 N O5 -","- C64 H102 N2 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.104","","","","0.2842","","","","","","1.101","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203345","11.9707","0.0009","8.069","0.0005","16.22","0.001","90","","111.245","0.002","90","","1460.24","0.17","198.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H52 O5 -","- C33 H52 O5 -","- C66 H104 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0793","","","","0.1951","","","","","","1.377","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203346","12.078","0.001","8.0989","0.0009","16.226","0.002","90","","111.031","0.006","90","","1481.5","0.3","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H49 Cl O5 -","- C24 H40 O5 -","- C48 H80 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.1995","","","","0.4387","","","","","","3.447","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203347","12.083","0.002","8.1351","0.0005","16.265","0.001","90","","111.618","0.006","90","","1486.3","0.3","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H46 Cl2 O5 -","- C31 H46 Cl2 O5 -","- C62 H92 Cl4 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0831","","","","0.2202","","","","","","1.986","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203348","13.3968","0.0005","8.0808","0.0004","14.0372","0.0006","90","","104.763","0.002","90","","1469.46","0.11","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H46 Cl2 O5 -","- C31 H46 Cl2 O5 -","- C62 H92 Cl4 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0798","","","","0.1913","","","","","","1.575","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203349","11.9681","0.0006","8.1491","0.0003","16.3101","0.0007","90","","111.379","0.002","90","","1481.25","0.11","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H49 Br O5 -","- C32 H49 Br O5 -","- C64 H98 Br2 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0592","","","","0.1436","","","","","","1.569","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203350","7.3178","0.0002","25.8105","0.0006","13.6157","0.0003","90","","90.889","0.001","90","","2571.37","0.11","93.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C57 H92 O8 -","- C57 H92 O8 -","- C114 H184 O16 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.094","","","","0.2027","","","","","","1.374","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203351","11.7151","0.0007","12.8256","0.0008","13.0725","0.0008","95.35","0.001","111.716","0.001","116.379","0.001","1554.48","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H52 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","1","0.5","","Manuel Quesada; Maria Monrabal; Guillem Aromí; Víctor A. de la Peña-O'Shea; Martí Gich; Elies Molins; Olivier Roubeau; Simon J. Teat; Elizabeth J. MacLean; Patrick Gamez; Jan Reedijk","Spin transition in a triazine-based Fe(<small>II</small>) complex: variable-temperature structural, thermal, magnetic and spectroscopic studies","Journal of Materials Chemistry","2006","16","26","2669","","10.1039/b602903e","","","0.6923","synchrotron","","0.0566","0.0452","","","0.1268","0.1323","","","","","","1.065","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203352","11.666","0.0007","12.8283","0.0007","13.4211","0.0008","95.942","0.001","111.898","0.001","115.85","0.001","1589.67","0.16","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H52 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","1","0.5","","Manuel Quesada; Maria Monrabal; Guillem Aromí; Víctor A. de la Peña-O'Shea; Martí Gich; Elies Molins; Olivier Roubeau; Simon J. Teat; Elizabeth J. MacLean; Patrick Gamez; Jan Reedijk","Spin transition in a triazine-based Fe(<small>II</small>) complex: variable-temperature structural, thermal, magnetic and spectroscopic studies","Journal of Materials Chemistry","2006","16","26","2669","","10.1039/b602903e","","","0.6923","synchrotron","","0.0638","0.0477","","","0.1333","0.1412","","","","","","1.052","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203353","11.7103","0.0005","12.8096","0.0006","12.9408","0.0006","95.223","0.002","111.65","0.002","116.42","0.002","1537.99","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H52 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","1","0.5","","Manuel Quesada; Maria Monrabal; Guillem Aromí; Víctor A. de la Peña-O'Shea; Martí Gich; Elies Molins; Olivier Roubeau; Simon J. Teat; Elizabeth J. MacLean; Patrick Gamez; Jan Reedijk","Spin transition in a triazine-based Fe(<small>II</small>) complex: variable-temperature structural, thermal, magnetic and spectroscopic studies","Journal of Materials Chemistry","2006","16","26","2669","","10.1039/b602903e","","","0.6923","synchrotron","","0.0516","0.0434","","","0.1164","0.1206","","","","","","1.09","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203354","7.4288","0.0008","10.2892","0.0011","22.174","0.002","90","","97.553","0.002","90","","1680.2","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H62 O5 -","- C38 H62 O5 -","- C76 H124 O10 -","2","1","","Hulme, Ashley T.; Lancaster, Robert W.; Cannon, Hilary F.","Clarification of the crystalline forms of androsterone","CrystEngComm","2006","8","4","309","","10.1039/b602909d","","","0.71073","MoKα","","0.0648","0.053","","","0.1105","0.1168","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203355","9.4045","0.0009","7.9586","0.0008","11.6746","0.0012","90","","111.274","0.002","90","","814.26","0.14","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Androsterone","Androsterone","","- C19 H30 O2 -","- C19 H30 O2 -","- C38 H60 O4 -","2","1","","Hulme, Ashley T.; Lancaster, Robert W.; Cannon, Hilary F.","Clarification of the crystalline forms of androsterone","CrystEngComm","2006","8","4","309","","10.1039/b602909d","","","0.71073","MoKα","","0.0438","0.041","","","0.1023","0.1049","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203356","9.18","0.0016","9.2312","0.0016","9.2851","0.0017","115.971","0.003","96.663","0.003","110.403","0.002","628.39","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H50 N5 Ta -","- C20 H50 N5 Ta -","- C20 H50 N5 Ta -","1","1","","Davies, Hywel O.; Jones, Anthony C.; McKinnell, Elizabeth A.; Raftery, James; Muryn, Christopher A.; Afzaal, Mohammad; O'Brien, Paul","Tantalum(v) diethylamide, [Ta(NEt2)5]: a potentially important and crystalline precursor for the CVD of oxides containing tantalum","Journal of Materials Chemistry","2006","16","23","2226","","10.1039/b602986h","","","0.71073","MoKα","","0.0379","0.0349","","","0.0872","0.0908","","","","","","1.086","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203357","9.454","0.005","4.905","0.005","15.495","0.005","90","","102.564","0.005","90","","701.3","0.8","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Copper Dimandelate","","","- C16 H14 Cu O6 -","- C16 H14 Cu O6 -","- C32 H28 Cu2 O12 -","2","0.5","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.1293","0.0817","","","0.1216","0.1349","","","","","","1.16","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203358","7.988","0.001","8.998","0.001","9.029","0.001","90","","90","","90","","648.97","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Mn O6 -","- C4 H6 Mn O6 -","- C16 H24 Mn4 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.7107","MoKα","","0.0182","0.0176","","","0.0442","0.0444","","","","","","1.098","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203359","7.754","0.001","8.875","0.001","8.987","0.001","90","","90","","90","","618.46","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Co O6 -","- C4 H6 Co O6 -","- C16 H24 Co4 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.7107","MoKα","","0.0261","0.0227","","","0.0583","0.0605","","","","","","0.74","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203360","7.881","0.005","8.942","0.005","8.996","0.005","90","","90","","90","","634","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Co0.37 Mn0.63 O6 -","- C4 H6 Co0.37 Mn0.63 O6 -","- C16 H24 Co1.48 Mn2.52 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.0177","0.0174","","","0.0425","0.0426","","","","","","1.109","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203361","7.86","0.001","8.923","0.001","8.984","0.001","90","","90","","90","","630.09","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Fe O6 -","- C4 H6 Fe O6 -","- C16 H24 Fe4 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.7107","MoKα","","0.0257","0.0241","","","0.0617","0.0626","","","","","","1.061","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203362","7.902","0.005","8.942","0.005","9.053","0.005","90","","90","","90","","639.7","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Mn0.79 Ni0.21 O6 -","- C4 H6 Mn0.79 Ni0.21 O6 -","- C16 H24 Mn3.16 Ni0.84 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.0174","0.017","","","0.0478","0.048","","","","","","1.008","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203363","14.296","0.003","6.899","0.002","22.434","0.005","90","","119.66","0.05","90","","1922.7","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Co O7 -","- C19 H22 Co O7 -","- C76 H88 Co4 O28 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.1807","0.0946","","","0.1487","0.2014","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203364","9.336","0.005","25.97","0.009","8.25","0.005","90","","106.045","0.005","90","","1922.3","1.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H22 Cu O7 -","- C19 H22 Cu O7 -","- C76 H88 Cu4 O28 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.1954","0.12","","","0.1728","0.2035","","","","","","1.166","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203365","7.864","0.004","8.054","0.004","9.893","0.005","70.04","0.05","73.31","0.05","83.69","0.05","564.1","0.5","294","2","294","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","1","1","","Blanca Ruiz; Zhou Yang; Volker Gramlich; Mojca Jazbinsek; Peter Günter","Synthesis and crystal structure of a new stilbazolium salt with large second-order optical nonlinearity","Journal of Materials Chemistry","2006","16","27","2839","","10.1039/b603049a","","","1.54178","CuKα","","0.215","0.1299","","","0.2828","0.3389","","","","","","0.622","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203366","13.6684","0.0004","7.4084","0.0002","23.4344","0.0008","90","","101.691","0.0012","90","","2323.76","0.12","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","2D-grid-FeSm","","","- C16 H18 Fe N8 O7 Sm -","- C16 H8 Fe N8 O7 Sm -","- C64 H32 Fe4 N32 O28 Sm4 -","4","1","","Zhang, Yuan-Zhu; Duan, Gong-Ping; Sato, Osamu; Gao, Song","Structures and magnetism of cyano-bridged grid-like two-dimensional 4f?3d arrays","Journal of Materials Chemistry","2006","16","26","2625","","10.1039/b603050e","","","0.71073","MoKα","","0.131","0.0739","","","0.1842","0.1987","","","","","","1.088","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203367","7.3467","0.0002","11.7325","0.0003","13.5919","0.0004","101.563","0.0016","90.6115","0.0017","92.7337","0.0012","1146.23","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","TbFe-2D","","","- C16 H18 Fe N8 O7 Tb -","- C16 H8 Fe N8 O7 Tb -","- C32 H16 Fe2 N16 O14 Tb2 -","2","1","","Zhang, Yuan-Zhu; Duan, Gong-Ping; Sato, Osamu; Gao, Song","Structures and magnetism of cyano-bridged grid-like two-dimensional 4f?3d arrays","Journal of Materials Chemistry","2006","16","26","2625","","10.1039/b603050e","","","0.71073","MoKα","","0.1326","0.0935","","","0.2335","0.2499","","","","","","1.004","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203368","23.862","0.002","13.2641","0.0011","12.2213","0.001","90","","116.676","0.003","90","","3456.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H21 N4 O3 -","- C15 H21 N4 O3 -","- C120 H168 N32 O24 -","8","1","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1386","0.094","","","0.2791","0.3113","","","","","","1.043","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203369","13.6097","0.0005","14.203","0.0005","17.5902","0.0006","91.32","0.002","95.043","0.002","98.854","0.002","3344.3","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H22 N4 O3 -","- C15 H22 N4 O3 -","- C120 H176 N32 O24 -","8","4","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1063","0.0626","","","0.1558","0.1739","","","","","","1.025","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203370","12.067","0.0006","13.866","0.0007","17.6218","0.0009","73.608","0.002","71.557","0.002","66.84","0.002","2529.2","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H21.67 N4 O3 -","- C15 H21.6667 N4 O3 -","- C90 H130 N24 O18 -","6","3","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1709","0.0669","","","0.1472","0.1811","","","","","","0.946","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7203371","10.276","0.003","9.891","0.002","13.244","0.003","90","","90.573","0.005","90","","1346.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cu N2 O4 -","- C12 H18 Cu N2 O4 -","- C48 H72 Cu4 N8 O16 -","4","1","","Hawxwell, Samuel M.; Brammer, Lee","Solvent hydrolysis leads to an unusual Cu(ii) metal‒organic framework","CrystEngComm","2006","8","6","473","","10.1039/b603274e","","","0.71073","MoKα","","0.1087","0.0651","","","0.1883","0.2191","","","","","","1.061","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203372","12.8991","0.0012","9.7403","0.0009","18.2827","0.0018","90","","108.577","0.006","90","","2177.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N4 O18 Zn3 -","- C36 H44 N4 O18 Zn3 -","- C72 H88 N8 O36 Zn6 -","2","0.5","","Hawxwell, Samuel M.; Brammer, Lee","Solvent hydrolysis leads to an unusual Cu(ii) metal‒organic framework","CrystEngComm","2006","8","6","473","","10.1039/b603274e","","","0.846","synchrotron","","0.142","0.0668","","","0.1273","0.1451","","","","","","0.83","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203373","11.0874","0.0018","9.5068","0.0015","13.959","0.002","90","","105.835","0.003","90","","1415.5","0.4","359","2","359","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,8-dipyridylnaphthalene form I","1,8-dipyridylnaphthalene form I","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.0879","0.0487","","","0.1081","0.1189","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203374","8.297","0.0015","9.4627","0.0017","10.316","0.0018","79.87","0.003","73.067","0.003","65.092","0.003","701.4","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1,8-dipyridylnaphthalene-form II","1,8-dipyridylnaphthalene-form II","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.0541","0.043","","","0.1058","0.1109","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203375","13.356","0.003","6.92","0.0015","19.596","0.004","90","","106.203","0.004","90","","1739.2","0.6","187","2","187","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,8-dipyridylnaphthalene-3H2O","1,8-dipyridylnaphthalene-3H2O","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.1007","0.0502","","","0.1226","0.1368","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203376","6.8515","0.0003","8.852","0.0006","10.5293","0.0007","80.655","0.006","75.043","0.004","70.363","0.004","579.07","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cu Li2 O11 -","- C6 H10 Cu Li2 O11 -","- C12 H20 Cu2 Li4 O22 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","x-ray","0.71073","Mokα","","0.0234","0.0199","","","0.0501","0.0517","","","","","","1.114","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203377","6.827","0.001","9.517","0.002","16.406","0.003","90","","90","","90","","1065.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu Na2 O10 -","- C6 H8 Cu Na2 O10 -","- C24 H32 Cu4 Na8 O40 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.0684","0.0368","","","0.074","0.0851","","","","","","1.092","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203378","7.3985","0.0007","18.83","0.002","9.3201","0.0009","90","","90","","90","","1298.4","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H10 Cu K2 O11 -","- C6 H4 Cu K2 O11 -","- C24 H16 Cu4 K8 O44 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.059","0.0341","","","0.0889","0.0981","","","","","","1.076","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203379","7.2224","0.0006","9.4647","0.0005","17.017","0.002","90","","90","","90","","1163.25","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 Cu O9 Rb2 -","- C6 H4 Cu O9 Rb2 -","- C24 H16 Cu4 O36 Rb8 -","4","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","x-ray","0.71073","Mokα","","0.0867","0.0498","","","0.0936","0.1037","","","","","","1.034","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203380","7.1166","0.0006","7.1316","0.0009","7.5211","0.0006","87.334","0.008","79.428","0.007","86.698","0.008","374.36","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H8 Cs Cu O6 -","- C3 H2 Cs Cu0.5 O6 -","- C6 H4 Cs2 Cu O12 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.0336","0.0287","","","0.0767","0.079","","","","","","1.091","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203381","15.8727","0.0007","8.3021","0.0004","16.7073","0.0007","90","","90.279","0.002","90","","2201.61","0.17","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br N Ni S6 -","- C20 H15 Br N Ni S6 -","- C80 H60 Br4 N4 Ni4 S24 -","4","1","","Belo, D.; Figueira, M. J.; Nunes, J. P. M.; Santos, I. C.; Pereira, L. C.; Gama, V.; Almeida, M.; Rovira, C.","Magnetic properties of RBzPy[Ni(?-tpdt)2] (R = H, Br, F): effects of cis?trans disorder","Journal of Materials Chemistry","2006","16","26","2746","","10.1039/b603443h","","","0.71073","MoKα","","0.0661","0.0388","","","0.0905","0.098","","","","","","1.036","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203382","10.428","0.0012","12.394","0.0006","16.594","0.0019","90","","90","","90","","2144.7","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 F N Ni S6 -","- C20 H15 F N Ni S6 -","- C80 H60 F4 N4 Ni4 S24 -","4","1","","Belo, D.; Figueira, M. J.; Nunes, J. P. M.; Santos, I. C.; Pereira, L. C.; Gama, V.; Almeida, M.; Rovira, C.","Magnetic properties of RBzPy[Ni(?-tpdt)2] (R = H, Br, F): effects of cis?trans disorder","Journal of Materials Chemistry","2006","16","26","2746","","10.1039/b603443h","","","0.71073","MoKα","","0.0858","0.0584","","","0.1303","0.1402","","","","","","0.99","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203383","14.914","0.0009","9.3981","0.0007","15.3174","0.001","90","","97.784","0.004","90","","2127.2","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N Ni S6 -","- C20 H16 N Ni S6 -","- C80 H64 N4 Ni4 S24 -","4","1","","Belo, D.; Figueira, M. J.; Nunes, J. P. M.; Santos, I. C.; Pereira, L. C.; Gama, V.; Almeida, M.; Rovira, C.","Magnetic properties of RBzPy[Ni(?-tpdt)2] (R = H, Br, F): effects of cis?trans disorder","Journal of Materials Chemistry","2006","16","26","2746","","10.1039/b603443h","","","0.71073","MoKα","","0.0542","0.0369","","","0.0952","0.102","","","","","","1.045","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203384","17.2769","0.0013","10.7994","0.0008","17.8486","0.0014","90","","90","","90","","3330.2","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H18 Cl2 Cu N5 O -","- C13 H18 Cl2 Cu N5 O -","- C104 H144 Cl16 Cu8 N40 O8 -","8","1","","Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.","Magnetostructural studies of copper(ii)?verdazyl radical complexes","Journal of Materials Chemistry","2006","16","26","2618","","10.1039/b603624d","","","0.71073","MoKα","","0.0517","0.0488","","","0.1126","0.1137","","","","","","1.373","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203385","14.9568","0.0012","9.9809","0.0008","17.3231","0.0014","90","","90","","90","","2586","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H10 Cl2 Cu N5 O -","- C9 H10 Cl2 Cu N5 O -","- C72 H80 Cl16 Cu8 N40 O8 -","8","1","","Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.","Magnetostructural studies of copper(ii)?verdazyl radical complexes","Journal of Materials Chemistry","2006","16","26","2618","","10.1039/b603624d","","","0.71073","MoKα","","0.0269","0.023","","","0.0626","0.0656","","","","","","1.077","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203386","5.1997","0.0013","26.482","0.007","10.429","0.003","90","","103.785","0.004","90","","1394.7","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-diisopropyl-3-(2-pyridyl)-6-oxoverdazyl","","- C13 H18 N5 O -","- C13 H18 N5 O -","- C52 H72 N20 O4 -","4","1","","Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.","Magnetostructural studies of copper(ii)?verdazyl radical complexes","Journal of Materials Chemistry","2006","16","26","2618","","10.1039/b603624d","","","0.71073","MoKα","","0.1148","0.0524","","","0.0993","0.1187","","","","","","1.015","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203387","9.811","0.0009","10.9073","0.001","12.5202","0.0012","78.5653","0.0014","83.4835","0.0014","73.6999","0.0014","1258","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 Cu F12 N6 O5 -","- C18 H13 Cu F12 N6 O5 -","- C36 H26 Cu2 F24 N12 O10 -","2","1","","Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.","Magnetostructural studies of copper(ii)?verdazyl radical complexes","Journal of Materials Chemistry","2006","16","26","2618","","10.1039/b603624d","","","0.71073","MoKα","","0.0636","0.0453","","","0.1207","0.1302","","","","","","1.072","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203388","7.925","0.005","10.643","0.006","13.886","0.008","90","","99.478","0.008","90","","1155.2","1.2","193.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 F3 N O2 -","- C12 H10 F3 N O2 -","- C48 H40 F12 N4 O8 -","4","1","","Kayaki, Yoshihito; Yamamoto, Masafumi; Suzuki, Tomoyuki; Ikariya, Takao","Carboxylative cyclization of propargylamines with supercritical carbon dioxide","Green Chemistry","2006","8","12","1019","","10.1039/b603700c","","","0.7107","MoKα","","","0.055","","","","0.162","","","","","","0.947","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203389","9.5012","0.0006","18.1017","0.0012","21.8277","0.0014","70.056","0.001","82.32","0.001","83.134","0.001","3486.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","2*(methylpyrogall(4)arene)1*(1,3-bis(3-pyridylmethyl)-2- thiourea)1*(SO4 2-)1*H2O clathrate","2*(methylpyrogall[4]arene)1*(1,3-bis(3-pyridylmethyl)-2-thiourea)1*(SO4 2-)1*H2O clathrate","","- C77 H82 N4 O29 S2 -","- C77 H82 N4 O29 S2 -","- C154 H164 N8 O58 S4 -","2","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Resorcinarene configuration and inclusion behaviour: Isolation of a guest free form of pyrogall[4]arene","CrystEngComm","2006","8","5","381","","10.1039/b603883b","","","0.71073","MoKα","","0.1249","0.0508","","","0.0866","0.1039","","","","","","0.887","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203390","8.8592","0.0017","9.3271","0.0018","9.4416","0.0018","106.968","0.004","104.65","0.004","104.616","0.004","675.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","rctt-methylpyrogall(4)arene","rctt-methylpyrogall[4]arene","","- C16 H16 O6 -","- C16 H16 O6 -","- C32 H32 O12 -","2","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Resorcinarene configuration and inclusion behaviour: Isolation of a guest free form of pyrogall[4]arene","CrystEngComm","2006","8","5","381","","10.1039/b603883b","","","0.71073","MoKα","","0.0706","0.0465","","","0.1174","0.1286","","","","","","0.996","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203391","9.544","0.003","9.588","0.003","9.915","0.003","86.554","0.005","68.376","0.005","63.175","0.005","746.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H9 N3 O3 -","- C5 H9 N3 O3 -","- C20 H36 N12 O12 -","4","2","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.1752","0.0917","","","0.3044","0.3479","","","","","","1.044","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203392","14.023","0.009","12.02","0.02","9.949","0.005","90","","90","","90","","1677","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H11 N3 O3 -","- C6 H11 N3 O3 -","- C48 H88 N24 O24 -","8","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.1003","0.0617","","","0.1416","0.1661","","","","","","0.996","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203393","10.713","0.003","3.858","0.002","14.347","0.005","90","","96.15","0.03","90","","589.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 N3 O3 -","- C4 H7 N3 O3 -","- C16 H28 N12 O12 -","4","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.0751","0.0389","","","0.0974","0.1145","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203394","7.1209","0.0008","16.3999","0.0019","15.0997","0.0016","90","","92.716","0.004","90","","1761.4","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,8-dioxo-3, 3-dimethyl-9-(4-Chloro-phenyl)- 1,2,3,4,5,6,7,8,9,10-decahydroacridine","","- C21 H22 Cl N O2 -","- C21 H22 Cl N O2 -","- C84 H88 Cl4 N4 O8 -","4","1","","Wang, Guan-Wu; Miao, Chun-Bao","Environmentally benign one-pot multi-component approaches to the synthesis of novel unsymmetrical 4-arylacridinediones","Green Chemistry","2006","8","12","1080","","10.1039/b604064k","","","0.7107","MoKα","","0.0454","0.0412","","","0.0963","0.0986","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203395","12.874","0.008","6.713","0.004","20.311","0.013","90","","94.651","0.01","90","","1749.6","1.9","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7- tetrahydro-4H-indol-4-one","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7-tetrahydro-4H-indol-4-one","","- C22 H20 F N O -","- C22 H20 F N O -","- C88 H80 F4 N4 O4 -","4","1","","Choudhury, Angshuman R.; Nagarajan, Kuppuswamy; Guru Row, Tayur N.","Solvent mediated centric/non-centric polymorph pairs of an indole derivative: Subtle variation of C‒H⋯O hydrogen bonds and C‒H⋯π interactions","CrystEngComm","2006","8","6","482","","10.1039/b604118c","","","0.71073","MoKα","","0.0457","0.0391","","","0.1214","0.128","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203396","7.892","0.005","10.861","0.006","10.786","0.006","90","","109.986","0.008","90","","868.8","0.9","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7- tetrahydro-4H-indol-4-one","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7-tetrahydro-4H-indol-4-one","","- C22 H20 F N O -","- C22 H20 F N O -","- C44 H40 F2 N2 O2 -","2","1","","Choudhury, Angshuman R.; Nagarajan, Kuppuswamy; Guru Row, Tayur N.","Solvent mediated centric/non-centric polymorph pairs of an indole derivative: Subtle variation of C‒H⋯O hydrogen bonds and C‒H⋯π interactions","CrystEngComm","2006","8","6","482","","10.1039/b604118c","","","0.71073","MoKα","","0.0283","0.0274","","","0.0723","0.0729","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203397","10.5513","0.0019","15.868","0.002","10.5844","0.0019","90","","100.578","0.006","90","","1742","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H49 Cl3 N6 -","- C35 H49 Cl3 N6 -","- C70 H98 Cl6 N12 -","2","1","","Bates, Gareth W.; Kostermans, Maarten; Dehaen, Wim; Gale, Philip A.; Light, Mark E.","Organic salt inclusion: the first crystal structures of anion complexes of N-confused calix[4]pyrrole","CrystEngComm","2006","8","6","444","","10.1039/b604128k","","","0.71073","MoKα","","0.1819","0.0932","","","0.1866","0.2228","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203398","10.586","0.0011","15.88","0.0017","21.868","0.002","90","","94.452","0.002","90","","3665","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H53 Cl3 N6 -","- C37 H53 Cl3 N6 -","- C148 H212 Cl12 N24 -","4","1","","Bates, Gareth W.; Kostermans, Maarten; Dehaen, Wim; Gale, Philip A.; Light, Mark E.","Organic salt inclusion: the first crystal structures of anion complexes of N-confused calix[4]pyrrole","CrystEngComm","2006","8","6","444","","10.1039/b604128k","","","0.6709","synchrotron","","0.1131","0.0813","","","0.1776","0.1925","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203399","7.936","0.003","10.048","0.004","17.864","0.007","91.753","0.008","102.116","0.007","106.858","0.007","1326.5","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","benzethonium nitrate","","","- C27 H42 N2 O5 -","- C27 H42 N2 O5 -","- C54 H84 N4 O10 -","2","1","","Pernak, Juliusz; Smiglak, Marcin; Griffin, Scott T.; Hough, Whitney L.; Wilson, Timothy B.; Pernak, Anna; Zabielska-Matejuk, Jadwiga; Fojutowski, Andrzej; Kita, Kazimierz; Rogers, Robin D.","Long alkyl chain quaternary ammonium-based ionic liquids and potential applications","Green Chemistry","2006","8","9","798","","10.1039/b604353d","","","0.71073","MoKα","","0.1503","0.1123","","","0.3193","0.3388","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203400","14.695","0.002","13.33","0.0014","41.182","0.005","90","","94.32","0.01","90","","8044","1.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-(4-tert-Butylphenyl)-5-(4-(9,9-dihexyl-2-(trimethylsilyl)- fluoren-7-yl)phenyl)-1,3,4-oxadiazole","2-(4-tert-Butylphenyl)-5-{4-[9,9-dihexyl-2-(trimethylsilyl)-fluoren-7- yl]phenyl}-1,3,4-oxadiazole","","- C46 H58 N2 O Si -","- C46 H58 N2 O Si -","- C368 H464 N16 O8 Si8 -","8","1","","Kamtekar, Kiran T.; Wang, Changsheng; Bettington, Sylvia; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Rabinal, Mohammad; Petty, Michael C.","New electroluminescent bipolar compounds for balanced charge-transport and tuneable colour in organic light emitting diodes: triphenylamine?oxadiazole?fluorene triad molecules","Journal of Materials Chemistry","2006","16","39","3823","","10.1039/b604543j","","","0.71073","MoKα","","0.0911","0.0447","","","0.1001","0.1178","","","","","","0.938","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203401","10.945","0.005","12.714","0.003","13.128","0.004","96.1","0.01","93.84","0.01","94.38","0.01","1806","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","2-(4-tert-Butylphenyl)-5-(4-(9,9-dihexyl-2-bromofluoren-7- yl)phenyl)-1,3,4-oxadiazole","2-(4-tert-Butylphenyl)-5-[4-(9,9-dihexyl-2-bromofluoren-7- yl)phenyl]-1,3,4-oxadiazole","","- C43 H49 Br N2 O -","- C43 H49 Br N2 O -","- C86 H98 Br2 N4 O2 -","2","1","","Kamtekar, Kiran T.; Wang, Changsheng; Bettington, Sylvia; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Rabinal, Mohammad; Petty, Michael C.","New electroluminescent bipolar compounds for balanced charge-transport and tuneable colour in organic light emitting diodes: triphenylamine?oxadiazole?fluorene triad molecules","Journal of Materials Chemistry","2006","16","39","3823","","10.1039/b604543j","","","0.71073","MoKα","","0.0518","0.0351","","","0.0888","0.0937","","","","","","1.032","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203402","21.462","0.006","9.581","0.003","23.428","0.006","90","","96.48","0.02","90","","4787","2","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","2,5-Bis(2-(4-diphenylaminophenyl)-1,3,4-oxadiazol-5- yl)pyridine, deuterochloroform trisolvate","2,5-Bis[2-(4-diphenylaminophenyl)-1,3,4-oxadiazol-5- yl]pyridine, deuterochloroform trisolvate","","- C48 H31 Cl9 D3 N7 O2 -","- C48 H31 Cl9 D3 N7 O2 -","- C192 H124 Cl36 D12 N28 O8 -","4","0.5","","Kamtekar, Kiran T.; Wang, Changsheng; Bettington, Sylvia; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Rabinal, Mohammad; Petty, Michael C.","New electroluminescent bipolar compounds for balanced charge-transport and tuneable colour in organic light emitting diodes: triphenylamine?oxadiazole?fluorene triad molecules","Journal of Materials Chemistry","2006","16","39","3823","","10.1039/b604543j","","","0.71073","MoKα","","0.0648","0.0547","","","0.1607","0.1656","","","","","","1.681","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203403","7.3569","0.0011","6.1392","0.001","34.909","0.006","90","","91.43","0.02","90","","1576.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(4-tert-butylphenyl)-5-(4-bromophenyl)-1,3,4-oxadiazole","2-(4-tert-butylphenyl)-5-(4-bromophenyl)-1,3,4-oxadiazole","","- C18 H17 Br N2 O -","- C18 H17 Br N2 O -","- C72 H68 Br4 N8 O4 -","4","1","","Kamtekar, Kiran T.; Wang, Changsheng; Bettington, Sylvia; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Rabinal, Mohammad; Petty, Michael C.","New electroluminescent bipolar compounds for balanced charge-transport and tuneable colour in organic light emitting diodes: triphenylamine?oxadiazole?fluorene triad molecules","Journal of Materials Chemistry","2006","16","39","3823","","10.1039/b604543j","","","0.71073","MoKα","","0.0832","0.076","","","0.1678","0.171","","","","","","1.158","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203404","13.8481","0.0003","16.4536","0.0002","9.1071","0.0002","90","","90","","90","","2075.06","0.07","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H12 Cu N2 O8 -","- C6 H12 Cu N2 O8 -","- C48 H96 Cu8 N16 O64 -","8","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0244","0.0197","","","0.0479","0.0491","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203405","8.6866","0.0002","9.0585","0.0003","8.9681","0.0003","90","","115.198","0.002","90","","638.53","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cu N2 O8 -","- C8 H16 Cu N2 O8 -","- C16 H32 Cu2 N4 O16 -","2","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0298","0.0228","","","0.0594","0.062","","","","","","1.104","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203406","11.67","0.002","8.408","0.002","15.323","0.003","90","","93.38","0.03","90","","1500.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cu N2 O11 -","- C8 H14 Cu N2 O11 -","- C32 H56 Cu4 N8 O44 -","4","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0484","0.0392","","","0.1018","0.1081","","","","","","1.094","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203407","8.268","0.0004","16.9351","0.0009","9.4736","0.0005","90","0.005","90","0.004","90","0.004","1326.49","0.12","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H16 Cu N2 O8 -","- C9 H16 Cu N2 O8 -","- C36 H64 Cu4 N8 O32 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0581","0.0426","","","0.0905","0.096","","","","","","1.106","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203408","7.3346","0.0003","13.6142","0.0003","7.9365","0.0003","90","","97.519","0.003","90","","785.68","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H22 Cu N2 O10 -","- C10 H18 Cu N2 O10 -","- C20 H36 Cu2 N4 O20 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0504","0.0367","","","0.0786","0.0829","","","","","","1.046","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203409","13.6559","0.0018","16.4436","0.0009","9.0876","0.0009","90","","90","","90","","2040.6","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H12 Cu N2 O8 -","- C6 H12 Cu N2 O8 -","- C48 H96 Cu8 N16 O64 -","8","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0261","0.0226","","","0.0499","0.0508","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203410","32.361","0.001","8.8752","0.0004","21.1416","0.0005","90","","118.26","0.002","90","","5348.3","0.3","218","2","218","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Co2 F24 N8 O12 -","- C40 H34 Co2 F24 N8 O12 -","- C160 H136 Co8 F96 N32 O48 -","4","0.5","","Catala, Laure; Wurst, Klaus; Amabilino, David B.; Veciana, Jaume","Polymorphs of a pyrazole nitronyl nitroxide and its complexes with metal(ii) hexafluoroacetylacetonates","Journal of Materials Chemistry","2006","16","26","2736","","10.1039/b604598g","","","0.71073","MoKα","","0.0492","0.0368","","","0.0874","0.0928","","","","","","1.042","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203411","13.111","0.003","13.153","0.004","13.664","0.004","95.901","0.008","110.85","0.01","103.85","0.01","2091.6","1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C30.5 H32.5 Cl1.5 F12 N8 Ni O8 -","- C30.5 H32 Cl1.5 F12 N8 Ni O8 -","- C61 H64 Cl3 F24 N16 Ni2 O16 -","2","1","","Catala, Laure; Wurst, Klaus; Amabilino, David B.; Veciana, Jaume","Polymorphs of a pyrazole nitronyl nitroxide and its complexes with metal(ii) hexafluoroacetylacetonates","Journal of Materials Chemistry","2006","16","26","2736","","10.1039/b604598g","","","0.71073","MoKα","","0.2209","0.0922","","","0.1718","0.2124","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203412","13.8867","0.0004","13.1057","0.0003","13.4309","0.0004","90","","105.917","0.001","90","","2350.64","0.11","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N4 O2 -","- C10 H15 N4 O2 -","- C80 H120 N32 O16 -","8","2","","Catala, Laure; Wurst, Klaus; Amabilino, David B.; Veciana, Jaume","Polymorphs of a pyrazole nitronyl nitroxide and its complexes with metal(ii) hexafluoroacetylacetonates","Journal of Materials Chemistry","2006","16","26","2736","","10.1039/b604598g","","","0.71073","MoKα","","0.0425","0.0343","","","0.0866","0.0908","","","","","","1.035","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203413","13.2125","0.0007","10.9602","0.0006","22.4329","0.0011","90","","95.053","0.001","90","","3235.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H106 Mn4 N4 O16 -","- C52 H106 Mn4 N4 O16 -","- C104 H212 Mn8 N8 O32 -","2","0.5","","Ayuk M. Ako; Valeriu Mereacre; Ian J. Hewitt; Rodolphe Clérac; Lollita Lecren; Christopher E. Anson; Annie K. Powell","Enhancing single molecule magnet parameters. Synthesis, crystal structures and magnetic properties of mixed-valent Mn<small><sub>4</sub></small> SMMs","Journal of Materials Chemistry","2006","16","26","2579","","10.1039/b604611h","","","0.71073","MoKα","","0.0357","0.0278","","","0.0721","0.074","","","","","","0.973","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203414","16.6894","0.0014","8.736","0.0007","21.3378","0.0018","90","","92.949","0.002","90","","3106.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 Mn4 N4 O16 -","- C60 H88 Mn4 N4 O16 -","- C120 H176 Mn8 N8 O32 -","2","0.5","","Ayuk M. Ako; Valeriu Mereacre; Ian J. Hewitt; Rodolphe Clérac; Lollita Lecren; Christopher E. Anson; Annie K. Powell","Enhancing single molecule magnet parameters. Synthesis, crystal structures and magnetic properties of mixed-valent Mn<small><sub>4</sub></small> SMMs","Journal of Materials Chemistry","2006","16","26","2579","","10.1039/b604611h","","","0.71073","MoKα","","0.0559","0.0416","","","0.0949","0.1001","","","","","","1.012","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203415","30.242","0.003","8.671","0.0006","26.618","0.003","90","","119.915","0.009","90","","6050","1.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H75.9 Mn4 N4.7 O20.3 -","- C54 H75.3 Mn4 N4.7 O20.3 -","- C216 H301.2 Mn16 N18.8 O81.2 -","4","0.5","","Ayuk M. Ako; Valeriu Mereacre; Ian J. Hewitt; Rodolphe Clérac; Lollita Lecren; Christopher E. Anson; Annie K. Powell","Enhancing single molecule magnet parameters. Synthesis, crystal structures and magnetic properties of mixed-valent Mn<small><sub>4</sub></small> SMMs","Journal of Materials Chemistry","2006","16","26","2579","","10.1039/b604611h","","","0.71073","MoKα","","0.1091","0.0904","","","0.2279","0.2397","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203416","7.776","0.0008","11.0545","0.0011","56.587","0.006","90","","90","","90","","4864.2","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","distrychninium N-4-nitrobenzoyl-D-glutamate tetrahydrate","","- C54 H64 N6 O15 -","- C54 H64 N6 O15 -","- C216 H256 N24 O60 -","4","1","","Agata Białońska; Zbigniew Ciunik","Hydrophilic and hydrophobic pockets at surfaces of strychninium self-assemblies in pseudopolymorphous crystals of strychninium salts","CrystEngComm","2006","8","8","640","","10.1039/b605203g","","","1.5418","CuKα","","0.0796","0.0633","","","0.1539","0.1689","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203417","13.3317","0.0003","23.5623","0.0003","29.911","0.0006","90","","93.319","0.001","90","","9380","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound CS121","","","- C12 H105 Mo12 N36 Na O73 P8 -","- C12 H76 Mo12 N36 Na O72.7 P8 -","- C48 H304 Mo48 N144 Na4 O290.8 P32 -","4","1","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.0814","0.0436","","","0.0977","0.1096","","","","","","1.035","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203418","16.9408","0.0004","17.8534","0.0002","26.8981","0.0005","95.992","0.001","90.013","0.001","113.569","0.001","7408.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Compound CS120","","","- C56 H119 Mo12 N42 Na O75 P8 -","- C56 H58 Mo12 N42 Na O74 P8 -","- C112 H116 Mo24 N84 Na2 O148 P16 -","2","1","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.1025","0.0787","","","0.2098","0.2252","","","","","","1.05","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203419","13.4228","0.0002","13.4215","0.0003","14.7383","0.0003","98.443","0.001","104.914","0.001","119.049","0.001","2123.7","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Compound CS107","","","- C12 H105 Mo12 N12 Na3 O80 P8 -","- C12 Mo12 N12 Na3 O80 P8 -","- C12 Mo12 N12 Na3 O80 P8 -","1","0.5","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.0384","0.0336","","","0.0819","0.0841","","","","","","1.074","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203420","10.356","0.004","13.044","0.005","19.594","0.007","97.79","0.008","104.678","0.008","99.573","0.009","2480.6","1.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H53 Cl3 Si2 -","- C63 H53 Cl3 Si2 -","- C126 H106 Cl6 Si4 -","2","1","","Xiaowei Zhan; Chad Risko; Alexander Korlyukov; Francis Sena; Tatiana V. Timofeeva; Mikhail Yu. Antipin; Stephen Barlow; Jean-Luc Brédas; Seth R. Marder","Comparative studies of the geometric and electronic properties of 1,1-disubstituted-2,3,4,5-tetraphenylsiloles and 1,1,2,2-tetramethyl-3,4,5,6-tetraphenyl-1,2-disila-3,5-cyclohexadiene","Journal of Materials Chemistry","2006","16","39","3814","","10.1039/b605343b","","","0.71073","MoKα","","0.2242","0.0704","","","0.126","0.1509","","","","","","0.94","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203421","27.005","0.007","16.153","0.007","16.336","0.005","90","","93.294","0.01","90","","7114","4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 O2 Si -","- C30 H26 O2 Si -","- C360 H312 O24 Si12 -","12","1.5","","Xiaowei Zhan; Chad Risko; Alexander Korlyukov; Francis Sena; Tatiana V. Timofeeva; Mikhail Yu. Antipin; Stephen Barlow; Jean-Luc Brédas; Seth R. Marder","Comparative studies of the geometric and electronic properties of 1,1-disubstituted-2,3,4,5-tetraphenylsiloles and 1,1,2,2-tetramethyl-3,4,5,6-tetraphenyl-1,2-disila-3,5-cyclohexadiene","Journal of Materials Chemistry","2006","16","39","3814","","10.1039/b605343b","","","0.71073","MoKα","","0.103","0.0547","","","0.1065","0.1182","","","","","","1.014","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203422","9.782","0.002","22.465","0.006","12.753","0.003","90","","99.581","0.019","90","","2763.4","1.1","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Si2 -","- C32 H32 Si2 -","- C128 H128 Si8 -","4","1","","Xiaowei Zhan; Chad Risko; Alexander Korlyukov; Francis Sena; Tatiana V. Timofeeva; Mikhail Yu. Antipin; Stephen Barlow; Jean-Luc Brédas; Seth R. Marder","Comparative studies of the geometric and electronic properties of 1,1-disubstituted-2,3,4,5-tetraphenylsiloles and 1,1,2,2-tetramethyl-3,4,5,6-tetraphenyl-1,2-disila-3,5-cyclohexadiene","Journal of Materials Chemistry","2006","16","39","3814","","10.1039/b605343b","","","0.71073","MoKα","","0.0563","0.0364","","","0.0875","0.1013","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203423","7.191","0.003","35.436","0.014","13.048","0.005","90","","90","","90","","3325","2","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Cl4 Fe S4 Se8 -","- C16 H8 Br4 Cl4 Fe S4 Se8 -","- C64 H32 Br16 Cl16 Fe4 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.163","0.0621","","","0.1555","0.2128","","","","","","0.796","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203424","7.205","0.003","35.506","0.015","13.063","0.005","90","","90","","90","","3342","2","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Cl4 Ga S4 Se8 -","- C16 H8 Br4 Cl4 Ga S4 Se8 -","- C64 H32 Br16 Cl16 Ga4 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.1431","0.0653","","","0.1541","0.2009","","","","","","0.789","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203425","38.489","0.013","7.207","0.002","13.08","0.004","90","","109.405","0.008","90","","3422.2","1.8","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Br8 Fe S4 Se8 -","- C16 H8 Br8 Fe S4 Se8 -","- C64 H32 Br32 Fe4 S16 Se32 -","4","0.5","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.1495","0.0614","","","0.1518","0.1884","","","","","","0.895","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203426","38.506","0.011","7.214","0.002","13.084","0.004","90","","109.567","0.006","90","","3424.6","1.7","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Br8 Ga S4 Se8 -","- C16 H8 Br8 Ga S4 Se8 -","- C64 H32 Br32 Ga4 S16 Se32 -","4","0.5","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.1404","0.075","","","0.249","0.269","","","","","","1.081","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203427","7.3104","0.0015","35.755","0.008","13.552","0.003","90","","90","","90","","3542.3","1.3","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Cl4 Fe I4 S4 Se8 -","- C16 H8 Cl4 Fe I4 S4 Se8 -","- C64 H32 Cl16 Fe4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.0567","0.0385","","","0.1045","0.1266","","","","","","1.061","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203428","7.313","0.003","35.766","0.013","13.558","0.005","90","","90","","90","","3546","2","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Cl4 Ga I4 S4 Se8 -","- C16 H8 Cl4 Ga I4 S4 Se8 -","- C64 H32 Cl16 Ga4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.1263","0.064","","","0.1482","0.1831","","","","","","0.86","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203429","7.317","0.002","36.582","0.012","13.569","0.004","90","","90","","90","","3632","1.9","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Fe I4 S4 Se8 -","- C16 H8 Br4 Fe I4 S4 Se8 -","- C64 H32 Br16 Fe4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.0913","0.0534","","","0.126","0.1552","","","","","","1.007","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203430","7.3241","0.0017","36.602","0.009","13.58","0.003","90","","90","","90","","3640.5","1.5","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Fe I4 S4 Se8 -","- C16 H8 Br4 Fe I4 S4 Se8 -","- C64 H32 Br16 Fe4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.0678","0.0416","","","0.1159","0.137","","","","","","0.913","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203431","16.0034","0.0009","33.0383","0.0007","10.6224","0.0005","90","","97.142","0.002","90","","5572.8","0.4","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,6-Bis-(2,5-bis-hexyloxy-4-phenylethynyl-phenylethynyl)- fluoren-9-one","","","- C69 H72 O5 -","- C69 H72 O5 -","- C276 H288 O20 -","4","0.5","","Matthias Lehmann; Shin-Woong Kang; Christiane Köhn; Sönke Haseloh; Ute Kolb; Dieter Schollmeyer; QingBing Wang; Satyendra Kumar","Shape-persistent V-shaped mesogens—formation of nematic phases with biaxial order","Journal of Materials Chemistry","2006","16","44","4326","","10.1039/b605718g","","","1.54178","CuKα","","0.059","0.0453","","","0.1119","0.1207","","","","","","1.026","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203432","11.1587","0.0004","18.9115","0.0007","10.3217","0.0004","90","","109.832","0.001","90","","2048.98","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-amino-2-methyl-4'-hydroxydiphenyl","4-amino-2-methyl-4'-hydroxydiphenyl","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Dey, Archan; Desiraju, Gautam R.","Dimorphs of 4′-amino-4-hydroxy-2′-methylbiphenyl: Assessment of likelihood of polymorphism in flexible molecules","CrystEngComm","2006","8","6","477","","10.1039/b605751a","","","0.71073","MoKα","","0.0771","0.042","","","0.1027","0.1172","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203433","11.1587","0.0002","9.5748","0.0002","19.9175","0.0004","90","","96.332","0.001","90","","2115.05","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-amino-2-methyl-4'-hydroxydiphenyl","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Dey, Archan; Desiraju, Gautam R.","Dimorphs of 4′-amino-4-hydroxy-2′-methylbiphenyl: Assessment of likelihood of polymorphism in flexible molecules","CrystEngComm","2006","8","6","477","","10.1039/b605751a","","","0.71073","MoKα","","0.0805","0.0406","","","0.0984","0.1171","","","","","","0.958","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203434","8.898","0.003","8.898","0.003","7.679","0.003","90","","90","","90","","608","0.4","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","1","0.25","","Cédric Borel; Mikael Håkansson; Lars Öhrström","Coordination bonds and strong hydrogen bonds giving a framework material based on a 4- and 8-connected net in [Ca[Co(en)(oxalato)<small><sub>2</sub></small>]<small><sub>2</sub></small>]<small><sub><i>n</i></sub></small>","CrystEngComm","2006","8","9","666","","10.1039/b605762d","","","0.71073","MoKα","","0.0716","0.0685","","","0.178","0.1823","","","","","","1.114","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203435","10.956","0.002","27.56","0.006","31.9","0.006","90","","90","","90","","9632","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78 H82 N24 O18 Pr2 Ru3 -","- C78 H46 N24 O18 Pr2 Ru3 -","- C312 H184 N96 O72 Pr8 Ru12 -","4","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.062","0.0494","","","0.1396","0.1491","","","","","","1.076","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203436","14.273","0.0007","27.8052","0.0014","17.0891","0.0009","90","","101.957","0.002","90","","6634.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 K N16 O14 Ru2 Yb -","- C56 H42 K N16 O14 Ru2 Yb -","- C224 H168 K4 N64 O56 Ru8 Yb4 -","4","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.0864","0.0565","","","0.1558","0.1726","","","","","","1.053","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203437","21.5398","0.0008","26.248","0.0008","17.1392","0.0007","90","","90","","90","","9690.1","0.6","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H51 N12 O14 Pr Ru1.5 -","- C39 H23 N12 O14 Pr Ru1.5 -","- C312 H184 N96 O112 Pr8 Ru12 -","8","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.1216","0.0797","","","0.1964","0.2167","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203438","11.219","0.0003","12.8515","0.0003","14.1651","0.0004","82.272","0.001","88.467","0.001","75.715","0.001","1961.17","0.09","123","2","123","2","","","","","","","","3","P -1","-P 1","2","(E,E)-2-(4-Ethoxy-3-methoxybenzylidene)-6-(4- methoxybenzylidene)cyclohexanone","(E,E)-2-(4-Ethoxy-3-methoxybenzylidene)-6-(4-methoxybenzylidene)cyclohexanone","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","2","","Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.","A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones","Green Chemistry","2006","8","12","1042","","10.1039/b606042k","","","0.71073","MoKα","","0.0655","0.045","","","0.1069","0.1177","","","","","","1.024","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203439","7.8646","0.0003","9.683","0.0003","11.3746","0.0005","95.587","0.001","102.801","0.001","91.992","0.002","839.25","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(E,E)-2-(4-Methoxybenzylidene)-6-(4- nitrobenzylidene)cyclohexanone","(E,E)-2-(4-Methoxybenzylidene)-6-(4-nitrobenzylidene)cyclohexanone","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C42 H38 N2 O8 -","2","1","","Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.","A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones","Green Chemistry","2006","8","12","1042","","10.1039/b606042k","","","0.71073","MoKα","","0.0658","0.04","","","0.0904","0.1018","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203440","18.5748","0.0001","6.2641","0.0001","15.9337","0.0001","90","","115.194","0.001","90","","1677.59","0.03","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E,E)-2-((6-Bromopyridin-2-yl)methylene)-6-(4- methoxybenzylidene)cyclohexanone","(E,E)-2-((6-Bromopyridin-2-yl)methylene)-6-(4-methoxybenzylidene)cyclohexanone","","- C20 H18 Br N O2 -","- C20 H18 Br N O2 -","- C80 H72 Br4 N4 O8 -","4","1","","Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.","A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones","Green Chemistry","2006","8","12","1042","","10.1039/b606042k","","","0.71073","MoKα","","0.0656","0.0371","","","0.0697","0.0763","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203441","11.5683","0.0004","12.3023","0.0004","13.6088","0.0005","98.825","0.001","110.125","0.002","111.483","0.002","1603.3","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","(E)-N,N-dimethyl-9-(naphthalen-1-yl)-5-(naphthalen-2-ylmethylene) -2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-xanthen-4a-amine hydrochloride salt","","- C36 H38 Cl N O -","- C36 H38 Cl N O -","- C72 H76 Cl2 N2 O2 -","2","1","","Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.","A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones","Green Chemistry","2006","8","12","1042","","10.1039/b606042k","","","0.71073","MoKα","","0.1809","0.0644","","","0.1623","0.2063","","","","","","0.988","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203442","10.0896","0.0001","13.29","0.0002","16.6649","0.0003","90","","103.981","0.001","90","","2168.41","0.06","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-N,N-dimethyl-9-(pyridin-4-yl)-5-(pyridin-4-ylmethylene) -2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-xanthen-4a-amine","","- C26 H31 N3 O -","- C26 H31 N3 O -","- C104 H124 N12 O4 -","4","1","","Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.","A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones","Green Chemistry","2006","8","12","1042","","10.1039/b606042k","","","0.71073","MoKα","","0.0836","0.0498","","","0.0985","0.1113","","","","","","1.059","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203443","8.763","0.0002","10.924","0.0002","20.1019","0.0005","90","","90","","90","","1924.29","0.07","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7a-Dimethylamino-5,6,7,7a-tetrahydro-4H-benzofuran-2-one","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C80 H120 N8 O16 -","8","1","","Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.","A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones","Green Chemistry","2006","8","12","1042","","10.1039/b606042k","","","0.71073","MoKα","","0.0935","0.0496","","","0.1182","0.1495","","","","","","1.083","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203444","19.045","0.003","16.627","0.002","18.618","0.003","90","","118.047","0.008","90","","5203.2","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hexyl bromo calixarene, acetonitrile","hexyl bromo calixarene, acetonitrile","","- C54 H63 I4 N O8 -","- C54 H63 I4 N O8 -","- C216 H252 I16 N4 O32 -","4","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper","A pyridyl-functionalized cavitand: Starting point for hydrogen-bond driven assembly of heterodimeric capsules","CrystEngComm","2006","8","7","502","","10.1039/b606207e","","","0.71073","MoKα","","0.1","0.0449","","","0.0956","0.12","","","","","","1.013","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203445","25.359","0.002","22.2099","0.0019","12.1129","0.001","90","","90","","90","","6822.2","1","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","tetra-(3-pyridyl)ethynyl calixarene","tetra-(3-pyridyl)ethynyl calixarene","","- C82 H83 N5 O10 -","- C82 H83 N5 O10 -","- C328 H332 N20 O40 -","4","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper","A pyridyl-functionalized cavitand: Starting point for hydrogen-bond driven assembly of heterodimeric capsules","CrystEngComm","2006","8","7","502","","10.1039/b606207e","","","0.71073","MoKα","","0.0638","0.0558","","","0.1338","0.1401","","","","","","1.076","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203446","18.2204","0.001","19.0609","0.0013","19.287","0.0014","105.18","0.01","113.6","0.01","108.25","0.01","5220.5","1.2","220","2","220","2","","","","","","","","3","P -1","-P 1","2","(4-ethynyl-phenyl)-dimethyl-amine","(4-ethynyl-phenyl)-dimethyl-amine","","- C10 H11 N -","- C10 H11 N -","- C240 H264 N24 -","24","12","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-<i>N</i>,<i>N</i>-dimethylaniline, and 4-ethynyl-<i>N</i>,<i>N</i>-dimethylaniline with <i>Z</i>′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.1373","0.0504","","","0.126","0.1664","","","","","","0.877","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203447","17.412","0.001","18.845","0.001","19.252","0.001","105.84","0.01","104.51","0.01","112.99","0.01","5119.4","1","120","2","120","2","","","","","","","","3","P -1","-P 1","2","(4-ethynyl-phenyl)-dimethyl-amine","(4-ethynyl-phenyl)-dimethyl-amine","","- C10 H11 N -","- C10 H11 N -","- C240 H264 N24 -","24","12","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-<i>N</i>,<i>N</i>-dimethylaniline, and 4-ethynyl-<i>N</i>,<i>N</i>-dimethylaniline with <i>Z</i>′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.1749","0.0585","","","0.1068","0.1481","","","","","","0.912","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203448","13.015","0.002","9.581","0.003","32.611","0.006","90","","90","","90","","4066.5","1.6","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N'-dimethyl-4-((trimethylsilyl)ethynyl)-aniline","N,N'-dimethyl-4-[(trimethylsilyl)ethynyl]-aniline","","- C13 H19 N Si -","- C13 H19 N Si -","- C156 H228 N12 Si12 -","12","1.5","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-<i>N</i>,<i>N</i>-dimethylaniline, and 4-ethynyl-<i>N</i>,<i>N</i>-dimethylaniline with <i>Z</i>′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.0506","0.0379","","","0.0952","0.1005","","","","","","1.009","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203449","9.139","0.003","10.665","0.004","14.968","0.006","103.458","0.006","96.406","0.007","97.493","0.007","1391.4","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 Co N6 O2 S2 -","- C27 H26 Co N6 O2 S2 -","- C54 H52 Co2 N12 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0919","0.0527","","","0.1015","0.1207","","","","","","1.061","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203450","9.0804","0.0012","10.663","0.0013","14.8873","0.0019","103.457","0.002","96.601","0.002","97.377","0.002","1374.5","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 N6 Ni O2 S2 -","- C27 H26 N6 Ni O2 S2 -","- C54 H52 N12 Ni2 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0678","0.0421","","","0.1028","0.1123","","","","","","1.038","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203451","9.4775","0.0018","13.038","0.003","17.523","0.003","75.595","0.002","75.36","0.002","71.835","0.002","1956.2","0.7","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H68 Cu3 N18 O2 S6 -","- C80 H68 Cu3 N18 O2 S6 -","- C80 H68 Cu3 N18 O2 S6 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0875","0.0485","","","0.1122","0.1305","","","","","","1.029","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203452","9.708","0.003","12.9","0.004","17.142","0.006","71.91","0.005","75.596","0.005","71.955","0.005","1912.4","1.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H64 Cu3 N18 O2 S6 -","- C78 H64 Cu3 N18 O2 S6 -","- C78 H64 Cu3 N18 O2 S6 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","","MoKα","","0.0857","0.0474","","","0.1199","0.1324","","","","","","1.017","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203453","7.845","0.004","10.255","0.004","17.677","0.007","78.625","0.006","83.681","0.006","78.665","0.004","1363.2","1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Fe N6 O2 S2 -","- C26 H24 Fe N6 O2 S2 -","- C52 H48 Fe2 N12 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0753","0.0489","","","0.1329","0.1476","","","","","","1.139","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203454","15.976","0.006","7.232","0.003","13.109","0.005","90","","95.374","0.004","90","","1507.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 Pb S2 -","- C14 H10 N4 Pb S2 -","- C56 H40 N16 Pb4 S8 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0597","0.056","","","0.1662","0.1684","","","","","","1.062","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203455","12.7148","0.0008","4.4248","0.0003","11.6928","0.0007","90","","90","","90","","657.84","0.07","293","2","293","2","","","","","","","","5","I m 2 m","I -2 -2","44","","","","- C13 H14 Cl2 Co N2 -","- C13 H14 Cl2 Co N2 -","- C26 H28 Cl4 Co2 N4 -","2","0.25","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0409","0.0264","","0.0437","0.0411","","","","0.93","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203456","13.3881","0.001","4.2929","0.0003","12.2521","0.0009","90","","108.273","0.002","90","","668.67","0.08","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C26 H28 Cd2 Cl4 N4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.023","0.0222","","0.0561","0.0556","","","","1.083","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203457","25.028","0.003","4.4533","0.0005","11.8686","0.0014","90","","90","","90","","1322.8","0.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H14 Ag N3 O3 -","- C13 H14 Ag N3 O3 -","- C52 H56 Ag4 N12 O12 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0901","0.0897","","0.1402","0.1401","","","","1.401","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203458","12.029","0.003","11.995","0.003","9.153","0.002","90","","91.951","0.006","90","","1319.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","- C52 H64 Cl4 N8 Ni2 O4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0593","0.047","","0.1638","0.1516","","","","1.203","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203459","5.66","0.001","9.323","0.003","12.687","0.004","103.6","0.02","93.39","0.02","102.01","0.02","632.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.1767","0.0619","","0.166","0.135","","","","0.97","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203460","5.6911","0.0007","9.5004","0.0012","12.7455","0.0016","104.059","0.005","92.721","0.005","102.425","0.005","649.19","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 Mn N4 O2 -","- C26 H32 Cl2 Mn N4 O2 -","- C26 H32 Cl2 Mn N4 O2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0578","0.0385","","0.1084","0.099","","","","1.056","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203461","5.837","0.003","9.424","0.005","13.329","0.005","105.58","0.04","98.08","0.04","105.89","0.04","660.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N6 Ni O8 -","- C26 H32 N6 Ni O8 -","- C26 H32 N6 Ni O8 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0743","0.0405","","0.1122","0.1012","","","","1.02","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203462","8.678","0.002","12.213","0.003","13.691","0.003","85.497","0.004","77.327","0.004","82.58","0.004","1401.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C52 H56 Cd4 Cl8 N8 -","4","2","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0219","0.0193","","0.0522","0.0509","","","","0.982","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203463","26.216","0.0013","8.7667","0.0005","11.8792","0.0006","90","","91.216","0.002","90","","2729.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Cl2 Mn N2 -","- C13 H14 Cl2 Mn N2 -","- C104 H112 Cl16 Mn8 N16 -","8","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.038","0.0284","","0.0817","0.0757","","","","1.025","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203464","6.4441","0.0012","10.0237","0.0019","12.366","0.002","104.701","0.004","95.868","0.004","94.544","0.004","764","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C26 H28 Cd2 Cl4 N4 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0449","0.0331","","0.1017","0.0962","","","","1.056","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203465","30.884","0.002","8.1009","0.0006","12.0897","0.0008","90","","99.461","0.001","90","","2983.6","0.4","150","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd3 Cl6 N4 -","- C26 H28 Cd3 Cl6 N4 -","- C104 H112 Cd12 Cl24 N16 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0344","0.0309","","0.0965","0.0854","","","","1.351","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203466","18.0645","0.0005","18.0645","0.0005","19.0889","0.0007","90","","90","","120","","5394.7","0.3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C39 H30 Ag N7 O3 -","- C39 H30 Ag N7 O3 -","- C234 H180 Ag6 N42 O18 -","6","0.166667","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0454","0.0391","","0.1388","0.1288","","","","1.126","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203467","13.104","0.005","25.175","0.009","16.573","0.006","90","","99.814","0.007","90","","5387","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H94 Mn6 N8 O30 P4 -","- C108 H94 Mn6 N8 O30 P4 -","- C216 H188 Mn12 N16 O60 P8 -","2","0.5","","Shanmugam, Maheswaran; Shanmugam, Muralidharan; Chastanet, Guillaume; Sessoli, Roberta; Mallah, Talal; Wernsdorfer, Wolfgang; Winpenny, Richard E. P.","Minor changes in phosphonate ligands lead to new hexa- and dodeca-nuclear Mn clusters","Journal of Materials Chemistry","2006","16","26","2576","","10.1039/b606571f","","","0.71073","MoKα","","0.0673","0.0383","","","0.0758","0.0811","","","","","","0.864","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203468","25.261","0.016","25.341","0.016","28.763","0.017","71.536","0.013","80.221","0.012","83.453","0.012","17175","18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C161.63 H147.88 Li Mn12 N9.13 O50.38 P4 -","- C161.625 H147.875 Li Mn12 N9.125 O50.375 P4 -","- C646.5 H591.5 Li4 Mn48 N36.5 O201.5 P16 -","4","2","","Shanmugam, Maheswaran; Shanmugam, Muralidharan; Chastanet, Guillaume; Sessoli, Roberta; Mallah, Talal; Wernsdorfer, Wolfgang; Winpenny, Richard E. P.","Minor changes in phosphonate ligands lead to new hexa- and dodeca-nuclear Mn clusters","Journal of Materials Chemistry","2006","16","26","2576","","10.1039/b606571f","","","0.71073","MoKα","","0.1483","0.0598","","","0.1325","0.1582","","","","","","0.772","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203469","7.6917","0.0015","7.7273","0.0015","20.524","0.004","90","","90","","90","","1219.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S-(beta)-phenethylammonium)trichloroplumbate(ii)","(S-(β)-phenethylammonium)trichloroplumbate(II)","","- C8 H12 Cl3 N Pb -","- C8 H12 Cl3 N Pb -","- C32 H48 Cl12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0279","0.0254","","","0.0609","0.0619","","","","","","1.049","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203470","7.9199","0.0011","8.1392","0.0011","20.555","0.003","90","","90","","90","","1325","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S-(beta)-phenethylammonium)tribromoplumbate(ii)","(S-(β)-phenethylammonium)tribromoplumbate(II)","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0389","0.0295","","","0.0648","0.0675","","","","","","1.011","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203471","8.0814","0.0012","8.6983","0.0013","21.337","0.003","90","","90","","90","","1499.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","((R)-beta-phenethylammonium)triiodoplumbate(ii)","((R)-β-phenethylammonium)triiodoplumbate(II)","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0332","0.0276","","","0.0592","0.0608","","","","","","1.131","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203472","8.095","0.0012","8.7141","0.0013","21.368","0.003","90","","90","","90","","1507.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","((R)-beta-phenethylammonium)triiodoplumbate(ii)","((R)-β-phenethylammonium)triiodoplumbate(II)","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0382","0.0274","","","0.0542","0.0565","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203473","28.826","0.005","7.812","0.0013","27.055","0.005","90","","92.684","0.004","90","","6085.8","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tris((racemic)-beta-phenethylammonium)pentachloroplumbate(ii)","tris((racemic)-β-phenethylammonium)pentachloroplumbate(II)","","- C24 H38 Cl5 N3 O Pb -","- C24 H38 Cl5 N3 O Pb -","- C192 H304 Cl40 N24 O8 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0507","0.0305","","","0.0605","0.0655","","","","","","1.055","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203474","29.171","0.004","8.1095","0.0012","27.656","0.004","90","","92.234","0.003","90","","6537.4","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tris((racemic)-beta-phenethylammonium)pentachloroplumbate(ii)","tris((racemic)-β-phenethylammonium)pentachloroplumbate(II)","","- C24 H38 Br5 N3 O Pb -","- C24 H38 Br5 N3 O Pb -","- C192 H304 Br40 N24 O8 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0682","0.0387","","","0.0799","0.0877","","","","","","1.021","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203475","8.868","0.005","9.247","0.005","28.729","0.005","90","","90","","90","","2355.8","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis((R)-beta-phenethylammonium)tetraiodoplumbate(ii)","bis((R)-β-phenethylammonium)tetraiodoplumbate(II)","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71069","MoKα","","0.0481","0.0405","","","0.083","0.0851","","","","","","1.174","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203476","8.8531","0.0017","9.2312","0.0018","28.65","0.006","90","","90","","90","","2341.4","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis((S)-beta-phenethylammonium)tetraiodoplumbate(ii)","bis((S)-β-phenethylammonium)tetraiodoplumbate(II)","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0419","0.0316","","","0.0753","0.0776","","","","","","1.077","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203477","5.0294","0.0011","7.4771","0.0017","19.701","0.004","97.683","0.004","92.558","0.004","109.44","0.004","689.2","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H30 O6 -","- C36 H30 O6 -","- C36 H30 O6 -","1","0.5","","Rüdiger Schmidt; Silke Göttling; Dirk Leusser; Dietmar Stalke; Ana-Maria Krause; Frank Würthner","Highly soluble acenes as semiconductors for thin film transistors","Journal of Materials Chemistry","2006","16","37","3708","","10.1039/b607172d","","","0.71073","MoKα","","0.0649","0.0516","","","0.126","0.1326","","","","","","1.084","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203478","35.241","0.003","5.6021","0.0005","20.1942","0.0018","90","","90.868","0.002","90","","3986.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cl6 O6 -","- C42 H34 Cl6 O6 -","- C168 H136 Cl24 O24 -","4","1","","Rüdiger Schmidt; Silke Göttling; Dirk Leusser; Dietmar Stalke; Ana-Maria Krause; Frank Würthner","Highly soluble acenes as semiconductors for thin film transistors","Journal of Materials Chemistry","2006","16","37","3708","","10.1039/b607172d","","","0.71073","MoKα","","0.0599","0.0544","","","0.1117","0.1138","","","","","","1.236","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203479","7.9664","0.0009","16.5707","0.0018","10.501","0.0011","90","","107.048","0.006","90","","1325.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 O10 -","- C30 H26 N2 O10 -","- C60 H52 N4 O20 -","2","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0633","0.0423","","","0.1034","0.1148","","","","","","1.04","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203480","7.5128","0.0004","7.8323","0.0005","20.1764","0.0014","94.067","0.004","99.125","0.004","94.832","0.004","1163.75","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 N2 O8 -","- C28 H18 N2 O8 -","- C56 H36 N4 O16 -","2","1","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0687","0.0484","","","0.1236","0.1432","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203481","7.3019","0.0001","8.9102","0.0001","10.784","0.0002","80.311","0.001","77.528","0.001","78.283","0.001","665.083","0.017","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 N2 O8 -","- C34 H20 N2 O8 -","- C34 H20 N2 O8 -","1","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0642","0.044","","","0.1113","0.1254","","","","","","1.025","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203482","7.7829","0.0005","9.8027","0.0007","15.4096","0.001","97.584","0.005","97.404","0.004","107.85","0.004","1091.26","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N2 O8 S4 -","- C20 H12 N2 O8 S4 -","- C40 H24 N4 O16 S8 -","2","1","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0824","0.0406","","","0.0885","0.1038","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203483","5.1088","0.0005","5.3102","0.0006","12.3475","0.0015","90.588","0.009","98.023","0.008","95.211","0.008","330.23","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","1","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0428","0.0369","","","0.0944","0.0995","","","","","","1.029","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203484","21.3144","0.0005","21.3144","0.0005","17.3882","0.0008","90","","90","","120","","6841.2","0.4","150","","150","","","","","","","","","7","P -6","P -6","174","","","","- C28 H40 F9 La N3 O20.5 S3 -","- C28 H24 F9 La N3 O20.5 S3 -","- C168 H144 F54 La6 N18 O123 S18 -","6","1","","Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","2-D coordination network of a cyclic amide with a lanthanide metal cation and its columnar stacking","CrystEngComm","2006","8","8","578","","10.1039/b607370k","","","0.71073","MoKα","","0.0771","0.0439","","","0.096","0.1121","","","","","","1.027","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203485","8.63","0.0001","11.3501","0.0001","11.4308","0.0001","65.221","0.001","89.753","0.001","82.527","0.001","1006.37","0.019","150","","150","","","","","","","","","7","P 1","P 1","1","","","","- C29 H30 F9 N4 O15 S3 Yb -","- C29 H24 F9 N4 O15 S3 Yb -","- C29 H24 F9 N4 O15 S3 Yb -","1","1","","Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","2-D coordination network of a cyclic amide with a lanthanide metal cation and its columnar stacking","CrystEngComm","2006","8","8","578","","10.1039/b607370k","","","0.71073","MoKα","","0.0394","0.0382","","","0.0677","0.0685","","","","","","0.963","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203486","3.744","0.001","6.032","0.001","18.631","0.002","97.66","0.01","92.28","0.01","90.47","0.01","416.64","0.14","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Cl N O3 -","- C8 H7 Cl N O3 -","- C16 H14 Cl2 N2 O6 -","2","1","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.059","0.044","","0.1227","0.1047","","","","1.051","1.081","1.081","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203487","5.0843","0.0003","8.3131","0.0005","15.9637","0.0008","77.76","0.003","89.771","0.003","74.353","0.003","633.94","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Cl2 N2 O6 -","- C24 H30 Cl2 N2 O6 -","- C24 H30 Cl2 N2 O6 -","1","0.5","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.0732","0.042","","0.1061","0.0941","","","","1.024","1.102","1.102","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203488","9.2224","0.0004","10.0926","0.0005","10.0772","0.0005","90","","113.116","0.003","90","","862.66","0.07","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C36 H40 N4 O12 -","2","0.5","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.0751","0.0541","","0.1585","0.1436","","","","1.027","1.075","1.075","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203489","36.856","0.002","5.1674","0.0002","29.4327","0.0018","90","","112.806","0.002","90","","5167.2","0.5","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N2 O6 -","- C26 H36 N2 O6 -","- C208 H288 N16 O48 -","8","1","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.1736","0.0589","","","0.1184","0.1565","","","","","","0.925","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203490","6.0884","0.0016","17.675","0.004","19.404","0.004","90","","90","","90","","2088.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0534","0.0404","","","0.0916","0.1007","","","","","","1.092","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203491","6.0982","0.0014","17.667","0.004","19.405","0.004","90","","90","","90","","2090.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.049","0.039","","","0.1016","0.1097","","","","","","1.039","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203492","6.1046","0.0013","17.656","0.004","19.423","0.004","90","","90","","90","","2093.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0513","0.0405","","","0.1059","0.1136","","","","","","1.022","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203493","6.1154","0.0013","17.642","0.004","19.443","0.004","90","","90","","90","","2097.7","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0566","0.045","","","0.1222","0.1319","","","","","","1.054","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203494","6.1363","0.0008","17.631","0.002","19.45","0.002","90","","90","","90","","2104.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0779","0.0546","","","0.1446","0.1615","","","","","","0.978","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203495","6.1416","0.001","17.622","0.003","19.468","0.003","90","","90","","90","","2107","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0908","0.0626","","","0.1743","0.1967","","","","","","1.001","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203496","6.1508","0.0009","17.596","0.002","19.478","0.003","90","","90","","90","","2108.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1046","0.073","","","0.2058","0.2283","","","","","","0.976","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203497","6.1598","0.0009","17.563","0.002","19.5","0.003","90","","90","","90","","2109.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1242","0.0872","","","0.2509","0.2781","","","","","","0.994","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203498","6.1549","0.0009","17.572","0.002","19.491","0.003","90","","90","","90","","2108","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1156","0.08","","","0.232","0.2584","","","","","","1.011","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203499","6.1644","0.0009","17.546","0.003","19.52","0.003","90","","90","","90","","2111.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1373","0.0972","","","0.2748","0.3017","","","","","","1.012","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203500","6.1732","0.001","17.519","0.003","19.547","0.003","90","","90","","90","","2114","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1688","0.1208","","","0.3245","0.3508","","","","","","1.122","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203501","6.1783","0.0012","17.515","0.003","19.569","0.003","90","","90","","90","","2117.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.2027","0.1412","","","0.3667","0.3968","","","","","","1.223","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203502","6.1916","0.0013","17.515","0.004","19.583","0.003","90","","90","","90","","2123.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.2394","0.163","","","0.4032","0.4348","","","","","","1.268","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203503","18.217","0.006","18.217","0.006","24.865","0.007","90","","90","","120","","7146","4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H24 Fe4 N6 O S12 -","- C42 H24 Fe4 N6 O S12 -","- C252 H144 Fe24 N36 O6 S72 -","6","0.333333","","Jian, Fangfang; Xiao, Hailian; Bai, Zhengshuai; Zhao, Pusu","Synthesis, characterization and nonlinear optical effects of M4(?4-O) core complexes with large two-photon absorption cross-section","Journal of Materials Chemistry","2006","16","38","3746","","10.1039/b607731e","","","0.71073","MoKα","","0.1167","0.0755","","","0.1298","0.1483","","","","","","1.023","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203504","18.264","0.003","18.264","0.003","24.878","0.005","90","","90","","120","","7187","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H24 Co4 N6 O S12 -","- C42 H24 Co4 N6 O S12 -","- C252 H144 Co24 N36 O6 S72 -","6","0.333333","","Jian, Fangfang; Xiao, Hailian; Bai, Zhengshuai; Zhao, Pusu","Synthesis, characterization and nonlinear optical effects of M4(?4-O) core complexes with large two-photon absorption cross-section","Journal of Materials Chemistry","2006","16","38","3746","","10.1039/b607731e","","","0.71073","MoKα","","0.1131","0.0423","","","0.0681","0.082","","","","","","0.982","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203505","18.261","0.003","18.261","0.003","24.862","0.005","90","","90","","120","","7180","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H24 N6 Ni4 O S12 -","- C42 H24 N6 Ni4 O S12 -","- C252 H144 N36 Ni24 O6 S72 -","6","0.333333","","Jian, Fangfang; Xiao, Hailian; Bai, Zhengshuai; Zhao, Pusu","Synthesis, characterization and nonlinear optical effects of M4(?4-O) core complexes with large two-photon absorption cross-section","Journal of Materials Chemistry","2006","16","38","3746","","10.1039/b607731e","","","0.71073","MoKα","","0.1551","0.0955","","","0.1798","0.2095","","","","","","1.028","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203506","32.672","0.008","15.404","0.004","19.582","0.005","90","","92.376","0.004","90","","9847","4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C112 H180 O4 -","- C112 H180 O4 -","- C448 H720 O16 -","4","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Supersized bilayers based on an O-alkyl substituted calix[4]arene","CrystEngComm","2006","8","9","707","","10.1039/b608024c","","","0.71073","MoKα","","0.2321","0.0904","","","0.2391","0.3371","","","","","","1.015","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203507","15.6","0.005","19.664","0.006","33.103","0.01","85.879","0.005","76.899","0.005","87.243","0.005","9859","5","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C107 H176 O4 -","- C107 H176 O4 -","- C428 H704 O16 -","4","2","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Supersized bilayers based on an O-alkyl substituted calix[4]arene","CrystEngComm","2006","8","9","707","","10.1039/b608024c","","","0.71073","MoKα","","0.3422","0.1136","","","0.2675","0.4111","","","","","","0.893","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203508","11.221","0.002","5.4718","0.0011","30.459","0.006","90","","93.79","0.03","90","","1866.1","0.6","100","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 B2 O6 -","- C20 H22 B2 O6 -","- C80 H88 B8 O24 -","4","2","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.062","0.0564","","","0.1217","0.1243","","","","","","1.13","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203509","5.6782","0.0006","11.3687","0.0012","30.306","0.003","90","","90","","90","","1956.4","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B2 O6 -","- C20 H22 B2 O6 -","- C80 H88 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.1055","0.0618","","","0.1284","0.1472","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203510","10.2487","0.001","12.5428","0.0012","13.341","0.0013","90","","90","","90","","1715","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 B2 O6 -","- C18 H18 B2 O6 -","- C72 H72 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.0397","0.0355","","","0.083","0.0851","","","","","","1.156","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203511","10.475","0.003","12.572","0.004","13.554","0.004","90","","90","","90","","1784.9","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 B2 O6 -","- C18 H18 B2 O6 -","- C72 H72 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.2943","0.1023","","","0.1824","0.2196","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203512","10.093972","0.000026","10.093972","","10.093972","","90","","90","","90","","1028.46","0.003","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- O7 Ti1.99 Y1.98 -","- O7 Ti1.994 Y1.9766 -","- O56 Ti15.952 Y15.8128 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","3.67","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203513","10.11355","0.000026","10.11355","","10.11355","","90","","90","","90","","1034.45","0.003","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.1 O7 Ti2 Y1.9 -","- La0.1 O7 Ti2 Y1.9 -","- La0.8 O56 Ti16 Y15.2 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","3.54","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203514","10.13428","0.00004","10.13428","","10.13428","","90","","90","","90","","1040.83","0.004","","","298","","","","101.325","","","","synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.22 O7 Ti2 Y1.75 -","- La0.2185 O7 Ti2 Y1.7497 -","- La1.748 O56 Ti16 Y13.9976 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","neutron","","TOFneutrons","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203515","7.76154","0.00025","5.51328","0.00018","13.0011","0.0006","90","","98.597","0.013","90","","550.09","0.04","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.61 O7 Ti2 Y0.35 -","- La1.6058 O7 Ti2 Y0.3482 -","- La6.4232 O28 Ti8 Y1.3928 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","neutron","","TOF,ISIS,RAL","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203516","10.13077","0.00005","10.13077","","10.13077","","90","","90","","90","","1039.75","0.005","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.22 O7 Ti2 Y1.75 -","- La0.2207 O7 Ti2 Y1.7471 -","- La1.7656 O56 Ti16 Y13.9768 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","neutron","","TOF,ISIS,RAL","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203517","7.7865","0.00022","5.53083","0.00015","13.0051","0.0006","90","","98.617","0.012","90","","553.75","0.04","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.85 O7 Ti2 Y0.15 -","- La1.85 O7 Ti2 Y0.15 -","- La7.4 O28 Ti8 Y0.6 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","1.64","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203518","10.1347","0.0008","10.1347","","10.1347","","90","","90","","90","","1040.96","0.08","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.23 O7 Ti2 Y1.73 -","- La0.2273 O7 Ti2 Y1.7275 -","- La1.8184 O56 Ti16 Y13.82 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","neutron","","TOF,ISIS,RAL","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203519","7.80068","0.00021","5.54031","0.00014","13.0072","0.0005","90","","98.633","0.012","90","","555.78","0.03","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.95 O7 Ti2 Y0.05 -","- La1.95 O7 Ti2 Y0.05 -","- La7.8 O28 Ti8 Y0.2 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","1.41","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203520","7.80896","0.0001","5.54608","0.00007","13.01425","0.00022","90","","98.658","0.004","90","","557.213","0.015","","","","","","","","","","","Synthetic","3","P 1 21 1","P 2yb","4","Lanthanum Titanate","Lanthanum Titanate","","- La1.94 O7 Ti2.07 -","- La1.94416 O7 Ti2.07313 -","- La7.77664 O28 Ti8.29252 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","2.19","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203521","10.10199","0.00011","10.10199","","10.10199","","90","","90","","90","","1030.91","0.011","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.05 O7 Ti2 Y1.95 -","- La0.05 O7 Ti2 Y1.95 -","- La0.4 O56 Ti16 Y15.6 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.8","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203522","10.10484","0.00012","10.10484","","10.10484","","90","","90","","90","","1031.78","0.012","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.1 O7 Ti2 Y1.9 -","- La0.1 O7 Ti2 Y1.9 -","- La0.8 O56 Ti16 Y15.2 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.79","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203523","10.10901","0.00004","10.10901","","10.10901","","90","","90","","90","","1033.06","0.004","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.2 O7 Ti2 Y1.8 -","- La0.2 O7 Ti2 Y1.8 -","- La1.6 O56 Ti16 Y14.4 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.79","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203524","10.11306","0.00006","10.11306","","10.11306","","90","","90","","90","","1034.3","0.006","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.25 O7 Ti2 Y1.75 -","- La0.25 O7 Ti2 Y1.75 -","- La2 O56 Ti16 Y14 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.85","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203525","10.11981","0.00006","10.11981","","10.11981","","90","","90","","90","","1036.38","0.006","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.3 O7 Ti2 Y1.7 -","- La0.3 O7 Ti2 Y1.7 -","- La2.4 O56 Ti16 Y13.6 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.84","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203526","10.12344","0.00006","10.12344","","10.12344","","90","","90","","90","","1037.49","0.006","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.35 O7 Ti2 Y1.65 -","- La0.35 O7 Ti2 Y1.65 -","- La2.8 O56 Ti16 Y13.2 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.82","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203527","7.77611","0.00019","5.52192","0.00014","13.0062","0.0004","90","","98.573","0.009","90","","552.23","0.03","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.65 O7 Ti2 Y0.35 -","- La1.65 O7 Ti2 Y0.35 -","- La6.6 O28 Ti8 Y1.4 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203528","10.1315","0.0004","10.1315","","10.1315","","90","","90","","90","","1039.97","0.04","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La1.65 O7 Ti2 Y0.35 -","- La1.65 O7 Ti2 Y0.35 -","- La13.2 O56 Ti16 Y2.8 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203529","7.77648","0.00025","5.52235","0.00018","13.0065","0.0005","90","","98.628","0.007","90","","552.24","0.03","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.7 O7 Ti2 Y0.3 -","- La1.7 O7 Ti2 Y0.3 -","- La6.8 O28 Ti8 Y1.2 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","0.9","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203530","10.1316","0.0011","10.1316","","10.1316","","90","","90","","90","","1040","0.11","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La1.7 O7 Ti2 Y0.3 -","- La1.7 O7 Ti2 Y0.3 -","- La13.6 O56 Ti16 Y2.4 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203531","7.7756","0.0004","5.52257","0.00027","13.0015","0.0007","90","","98.586","0.009","90","","552.04","0.05","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.75 O7 Ti2 Y0.25 -","- La1.75 O7 Ti2 Y0.25 -","- La7 O28 Ti8 Y -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","0.9","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203532","10.1145","0.0024","10.1145","","10.1145","","90","","90","","90","","1034.7","0.2","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La1.75 O7 Ti2 Y0.25 -","- La1.75 O7 Ti2 Y0.25 -","- La14 O56 Ti16 Y2 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203533","7.7821","0.0004","5.52664","0.00025","13.0058","0.0007","90","","98.62","0.01","90","","553.05","0.05","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.8 O7 Ti2 Y0.2 -","- La1.8 O7 Ti2 Y0.2 -","- La7.2 O28 Ti8 Y0.8 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.88","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203534","7.7889","0.0004","5.53193","0.00026","13.0091","0.0009","90","","98.649","0.019","90","","554.16","0.06","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La1.85 O7 Ti2 Y0.15 -","- La1.85 O7 Ti2 Y0.15 -","- La7.4 O28 Ti8 Y0.6 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.85","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203535","7.7953","0.0004","5.53702","0.00028","13.0114","0.0009","90","","98.626","0.018","90","","555.25","0.06","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.95 O7 Ti2 Y0.05 -","- La1.95 O7 Ti2 Y0.05 -","- La7.8 O28 Ti8 Y0.2 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.85","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203536","27.0695","0.0016","6.1051","0.0004","32.4245","0.0019","90","","111.443","0.001","90","","4987.6","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C224 H224 N64 -","16","2","","De, Senjuti; Chowdhury, Shubhamoy; Tocher, Derek A.; Datta, Dipankar","Molecular and supramolecular structures of benzil dihydrazone, an organic helical molecule. Comparison with diacetyl dihydrazone","CrystEngComm","2006","8","9","670","","10.1039/b608107j","","","0.71073","MoKα","","0.0661","0.0577","","","0.132","0.1371","","","","","","1.099","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203537","11.125","0.002","16.094","0.01","18.37","0.009","77.92","0.05","87.2","0.02","89.6","0.03","3212","3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 F5 N O4 Pd -","- C32 H40 F5 N O4 Pd -","- C128 H160 F20 N4 O16 Pd4 -","4","2","","Viorel Cîrcu; Timothy J. K. Gibbs; Laurent Omnès; Peter N. Horton; Michael B. Hursthouse; Duncan W. Bruce","Orthometallated palladium(<small>II</small>) imine complexes as candidate materials for the biaxial nematic phase. Crystal and molecular structure of three palladium imine complexes","Journal of Materials Chemistry","2006","16","44","4316","","10.1039/b608823f","","","0.71073","MoKα","","0.2395","0.1328","","","0.3342","0.387","","","","","","1.144","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203538","7.2597","0.0003","16.848","0.002","27.261","0.003","90","","90","","90","","3334.3","0.6","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 F N O3 Pd -","- C40 H44 F N O3 Pd -","- C160 H176 F4 N4 O12 Pd4 -","4","1","","Viorel Cîrcu; Timothy J. K. Gibbs; Laurent Omnès; Peter N. Horton; Michael B. Hursthouse; Duncan W. Bruce","Orthometallated palladium(<small>II</small>) imine complexes as candidate materials for the biaxial nematic phase. Crystal and molecular structure of three palladium imine complexes","Journal of Materials Chemistry","2006","16","44","4316","","10.1039/b608823f","","","0.71073","MoKα","","0.0258","0.0232","","","0.0528","0.0537","","","","","","1.039","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203539","17.801","0.004","16.966","0.003","22.192","0.005","90","","98.646","0.013","90","","6626","2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 N O2 Pd -","- C40 H45 N O2 Pd -","- C320 H360 N8 O16 Pd8 -","8","2","","Viorel Cîrcu; Timothy J. K. Gibbs; Laurent Omnès; Peter N. Horton; Michael B. Hursthouse; Duncan W. Bruce","Orthometallated palladium(<small>II</small>) imine complexes as candidate materials for the biaxial nematic phase. Crystal and molecular structure of three palladium imine complexes","Journal of Materials Chemistry","2006","16","44","4316","","10.1039/b608823f","","","0.71073","MoKα","","0.1037","0.0464","","","0.0942","0.1144","","","","","","0.999","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203540","38.7756","0.0005","28.6296","0.0005","19.9225","0.0003","90","","94.3539","0.001","90","","22052.7","0.6","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H56 Cu N8 O12 -","- C76 H56 Cu N8 O12 -","- C608 H448 Cu8 N64 O96 -","8","1","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.1027","0.0643","","","0.1735","0.1902","","","","","","0.963","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203541","13.523","0.0006","16.0078","0.0006","18.4755","0.0009","108.332","0.0018","93.617","0.002","106.441","0.003","3590.1","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H43 N7 O9 Ru -","- C64 H43 N7 O9 Ru -","- C128 H86 N14 O18 Ru2 -","2","1","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.1026","0.0718","","","0.2025","0.2154","","","","","","1.033","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203542","17.3027","0.0002","14.0365","0.0002","22.2494","0.0003","90","","90","","90","","5403.7","0.12","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H52 N4 O12 Pd S4 -","- C56 H52 N4 O12 Pd S4 -","- C224 H208 N16 O48 Pd4 S16 -","4","0.5","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.0648","0.0426","","","0.1133","0.1272","","","","","","1.025","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203543","10.3278","0.0005","11.8814","0.0005","18.0329","0.0009","100.305","0.0015","104.992","0.002","98.599","0.002","2057.88","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H49 N7 O12 Ru -","- C70 H49 N7 O12 Ru -","- C70 H49 N7 O12 Ru -","1","0.5","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.099","0.0757","","","0.1936","0.2065","","","","","","1.043","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203544","7.4613","0.0015","12.954","0.003","14.179","0.003","65.251","0.002","74.747","0.003","78.16","0.003","1193.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Saccharin, pyridine","Saccharin, pyridine","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","2","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0869","0.0505","","","0.1231","0.1413","","","","","","1.039","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203545","9.705","0.011","11.706","0.013","10.411","0.011","90","","105.089","0.019","90","","1142","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Saccharin, 4,4'-bipyridine","Saccharin, 4,4'-bipyridine","","- C24 H18 N4 O6 S2 -","- C24 H18 N4 O6 S2 -","- C48 H36 N8 O12 S4 -","2","0.5","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.1036","0.0438","","","0.0899","0.107","","","","","","0.899","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203546","7.4299","0.0005","11.1506","0.0007","15.345","0.0009","88.095","0.001","76.717","0.001","81.49","0.001","1223.67","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, 4-picoline","saccharin, 4-picoline","","- C13 H12 N2 O3 S -","- C13 H12 N2 O3 S -","- C52 H48 N8 O12 S4 -","4","2","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0411","0.0388","","","0.0981","0.0995","","","","","","1.138","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203547","6.9157","0.0012","17.351","0.003","10.6553","0.0018","90","","102.421","0.002","90","","1248.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","saccharine, isonicotinamide","saccharine, isonicotinamide","","- C13 H11 N3 O4 S -","- C13 H11 N3 O4 S -","- C52 H44 N12 O16 S4 -","4","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0521","0.0417","","","0.0951","0.101","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203548","12.1321","0.0009","8.3859","0.0006","13.1779","0.001","90","","112.61","0.001","90","","1237.66","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Saccharin, 3-aminopyridine","Saccharin, 3-aminopyridine","","- C12 H11 N3 O3 S -","- C12 H11 N3 O3 S -","- C48 H44 N12 O12 S4 -","4","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0336","0.0323","","","0.0878","0.0889","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203549","13.7712","0.0012","12.4593","0.0011","14.3461","0.0013","90","","90","","90","","2461.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Saccharin, 2-aminopyridine","saccharin, 2-aminopyridine","","- C12 H11 N3 O3 S -","- C12 H11 N3 O3 S -","- C96 H88 N24 O24 S8 -","8","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0448","0.0394","","","0.0961","0.099","","","","","","1.113","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203550","7.2644","0.0015","7.382","0.0015","13.752","0.003","98.667","0.003","95.025","0.003","100.566","0.003","711.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, 2-amino-4,6-dimethylpyrimidine","saccharin, 2-amino-4,6-dimethylpyrimidine","","- C13 H14 N4 O3 S -","- C13 H14 N4 O3 S -","- C26 H28 N8 O6 S2 -","2","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0539","0.0459","","","0.1222","0.1288","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203551","15.4801","0.0009","18.8355","0.0012","18.5273","0.0008","90","","102.642","0.003","90","","5271.1","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C110 H162 Ba N2 O22 -","- C110 H162 Ba N2 O22 -","- C220 H324 Ba2 N4 O44 -","2","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.1395","0.0919","","","0.2212","0.2604","","","","","","1.008","","","","has coordinates","189177","2020-10-21","18:00:00",""
"7203552","16.1945","0.0006","22.5902","0.0009","20.9304","0.0006","90","","103.591","0.002","90","","7442.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H114 N2 O21 Sr U -","- C68 H114 N2 O21 Sr U -","- C272 H456 N8 O84 Sr4 U4 -","4","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.073","0.0469","","","0.1052","0.116","","","","","","1.028","","","","has coordinates,has disorder","189177","2020-10-21","18:00:00",""
"7203553","12.8244","0.0003","22.0852","0.0005","29.4456","0.0008","90","","91.312","0.001","90","","8337.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H120 Ba N2 O24 U -","- C68 H120 Ba N2 O24 U -","- C272 H480 Ba4 N8 O96 U4 -","4","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.0746","0.0575","","","0.1511","0.1634","","","","","","1.056","","","","has coordinates","189177","2020-10-21","18:00:00",""
"7203554","18.8808","0.0013","19.0624","0.0019","22.4431","0.0019","66.304","0.005","73.525","0.006","66.252","0.005","6698.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H194 Ba N4 O29 U2 -","- C122 H194 Ba N4 O29 U2 -","- C244 H388 Ba2 N8 O58 U4 -","2","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.1451","0.0982","","","0.2242","0.2515","","","","","","1.039","","","","has coordinates","189177","2020-10-21","18:00:00",""
"7203555","14.806","0.013","7.155","0.006","7.82","0.007","90","","94.861","0.014","90","","825.4","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-amino-4-ethylphenol","2-amino-4-ethylphenol","","- C8 H11 N O -","- C8 H11 N O -","- C32 H44 N4 O4 -","4","1","","Dey, Archan; Pati, Narendra Nath; Desiraju, Gautam R.","Crystal structure prediction with the supramolecular synthon approach: Experimental structures of 2-amino-4-ethylphenol and 3-amino-2-naphthol and comparison with prediction","CrystEngComm","2006","8","10","751","","10.1039/b609101f","","","0.71073","MoKα","","0.1872","0.0806","","","0.1759","0.2201","","","","","","0.927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203556","15.1054","0.0013","6.0153","0.0005","8.4629","0.0007","90","","99.582","0.001","90","","758.24","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3 amino 2 naphthol","3 amino 2 naphthol","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","","Dey, Archan; Pati, Narendra Nath; Desiraju, Gautam R.","Crystal structure prediction with the supramolecular synthon approach: Experimental structures of 2-amino-4-ethylphenol and 3-amino-2-naphthol and comparison with prediction","CrystEngComm","2006","8","10","751","","10.1039/b609101f","","","0.71073","MoKα","","0.0441","0.0415","","","0.1099","0.1121","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203557","18.9615","0.0003","11.942","0.0003","12.8415","0.0002","90","","125.675","0.001","90","","2362.13","0.08","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloro-bis[5-amino-3-(pyrid-2-yl)pyrazole]manganese(II) dimethanol solvate (1.2CH~3~OH)","","- C18 H24 Cl2 Mn N8 O2 -","- C18 H24 Cl2 Mn N8 O2 -","- C72 H96 Cl8 Mn4 N32 O8 -","4","0.5","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0468","0.0406","","","0.1185","0.1239","","","","","","1.054","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203558","10.7275","0.0002","11.662","0.0002","11.9305","0.0002","95.9291","0.0006","96.0695","0.0006","110.075","0.001","1378.36","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Dichloro-bis[5-amino-3-(pyrid-2-yl)pyrazole]iron(III) chloride tetrakis-methanol solvate (2.4CH~3~OH)","","- C20 H32 Cl3 Fe N8 O4 -","- C20 H32 Cl3 Fe N8 O4 -","- C40 H64 Cl6 Fe2 N16 O8 -","2","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0522","0.036","","","0.0895","0.0974","","","","","","1.022","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203559","7.2901","0.0003","28.8637","0.0008","11.8758","0.0006","90","","107.874","0.002","90","","2378.28","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[5-amino-3-(pyrid-2-yl)pyrazole]copper(II) diperchlorate methanol solvate (3.CH~3~OH)","","- C17 H20 Cl2 Cu N8 O9 -","- C17 H20 Cl2 Cu N8 O9 -","- C68 H80 Cl8 Cu4 N32 O36 -","4","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0852","0.0583","","","0.1531","0.1682","","","","","","1.047","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203560","20.5384","0.0007","8.2388","0.0002","14.5781","0.0006","90","","101.409","0.0013","90","","2418.04","0.14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[5-amino-3-(pyrid-2-yl)pyrazole][acetonitrile]copper(II) diperchlorate (4)","","- C18 H19 Cl2 Cu N9 O8 -","- C18 H19 Cl2 Cu N9 O8 -","- C72 H76 Cl8 Cu4 N36 O32 -","4","0.5","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0654","0.0458","","","0.121","0.1329","","","","","","1.028","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203561","14.3848","0.0002","16.214","0.0002","34.3029","0.0005","90","","90","","90","","8000.64","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Nitrato-bis(5-amino-3-(pyrid-2-yl)pyrazole)copper(ii) nitrate hydrate (0.5/0.13) (5.xH!2$O; x = 0.13)","Nitrato-bis[5-amino-3-(pyrid-2-yl)pyrazole]copper(II) nitrate hydrate (0.5/0.13) (5.xH~2~O; x = 0.13)","","- C16 H16.26 Cu N10 O6.13 -","- C16 H16 Cu N10 O6.13 -","- C256 H256 Cu16 N160 O98.08 -","16","2","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.1364","0.0576","","","0.1373","0.1661","","","","","","1.01","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203562","14.168","0.0001","16.4064","0.0002","35.0658","0.0004","90","","90","","90","","8150.9","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Nitrato-bis[5-amino-3-(pyrid-2-yl)pyrazole]zinc(II) nitrate hydrate (0.5/0.29) (5.xH~2~O; x = 0.29)","","- C16 H16.58 N10 O6.29 Zn -","- C16 H16 N10 O6.29 Zn -","- C256 H256 N160 O100.64 Zn16 -","16","2","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0713","0.0476","","","0.1224","0.134","","","","","","1.054","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203563","12.3753","0.0007","17.13","0.0013","16.3243","0.0012","90","","110.892","0.004","90","","3233.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(5-amino-3-{pyrid-2-yl}pyrazolido)dicopper(II) hydrate (0.5/0.25) (7.xH~2~O; x = 0.25)","","- C32 H28.5 Cu2 N16 O0.25 -","- C32 H28 Cu2 N16 O0.255 -","- C128 H112 Cu8 N64 O1.02 -","4","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0897","0.0678","","","0.1699","0.1947","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203564","7.2721","0.001","7.2721","0.001","23.632","0.005","90","","90","","90","","1249.7","0.4","150","0.2","150","0.2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","Tetramethylammonium Uranium oxide fluoride","Tetramethylammonium Uranium oxide fluoride","","- C4 H12 F5 N O4 U2 -","- C4 H12 F5 N O4 U2 -","- C16 H48 F20 N4 O16 U8 -","4","0.125","","Ok, Kang Min; Doran, Michael B.; O'Hare, Dermot","[N(CH3)4][(UO2)2F5]: A new organically templated open-framework uranium oxide fluoride (MUF-2)","Journal of Materials Chemistry","2006","16","33","3366","","10.1039/b609525a","","","0.71073","MoKα","","0.0316","0.0209","","","0.0436","0.0465","","","","","","1.007","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203565","7.767","0.0016","16.964","0.003","11.255","0.002","90","","105.98","0.03","90","","1425.6","0.5","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetramethylammonium uranium oxide nitrate","Tetramethylammonium uranium oxide nitrate","","- C4 H12 N4 O11 U -","- C4 H12 N4 O11 U -","- C16 H48 N16 O44 U4 -","4","1","","Ok, Kang Min; Doran, Michael B.; O'Hare, Dermot","[N(CH3)4][(UO2)2F5]: A new organically templated open-framework uranium oxide fluoride (MUF-2)","Journal of Materials Chemistry","2006","16","33","3366","","10.1039/b609525a","","","0.71073","MoKα","","0.0502","0.0296","","","0.0585","0.0655","","","","","","0.89","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203566","18.499","0.009","8.626","0.008","19.255","0.009","90","","90","","90","","3073","4","230","","230","0.2","","","","","","","see text","6","P c a 21","P 2c -2ac","29","1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide","1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide","","- C8 H11 F6 N3 O4 S2 -","- C8 H11 F6 N3 O4 S2 -","- C64 H88 F48 N24 O32 S16 -","8","2","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of ionic liquids with melting points below ?25 ?C","CrystEngComm","2006","8","10","742","","10.1039/b609598d","","","0.71073","MoKα","","0.1465","0.0823","","","0.1936","0.2225","","","","","","0.948","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203567","10.183","0.005","12.384","0.007","18.294","0.008","90","","90","","90","","2307","2","150","","150","0.2","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","1-ethyl-3-methylimidazolium trifluoromethanesulfonate","1-ethyl-3-methylimidazolium trifluoromethanesulfonate","","- C7 H11 F3 N2 O3 S -","- C7 H11 F3 N2 O3 S -","- C56 H88 F24 N16 O24 S8 -","8","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of ionic liquids with melting points below ?25 ?C","CrystEngComm","2006","8","10","742","","10.1039/b609598d","","","0.71073","MoKα","","0.0738","0.0519","","","0.1249","0.1341","","","","","","1.139","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203568","12.526","0.003","10.179","0.002","12.332","0.003","90","","115.038","0.004","90","","1424.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis((1-pyrazolyl)methyl)benzene, (3,5-dinitrobenzoic acid)2","1,4-bis[(1-pyrazolyl)methyl]benzene, (3,5-dinitrobenzoic acid)2","","- C28 H22 N8 O12 -","- C28 H22 N8 O12 -","- C56 H44 N16 O24 -","2","0.5","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.0518","0.0453","","","0.1194","0.1245","","","","","","1.055","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203569","7.5783","0.0008","7.901","0.0009","14.1442","0.0013","103.784","0.007","101.429","0.007","90.509","0.006","804.8","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","MF142Me8 1,4-bis((3,5-dimethylpyrazol-1-yl)methyl)benzene, (2,6-Cl2PhCOOH)2","MF142Me8 1,4-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene, (2,6-Cl2PhCOOH)2","","- C32 H30 Cl4 N4 O4 -","- C32 H30 Cl4 N4 O4 -","- C32 H30 Cl4 N4 O4 -","1","0.5","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.0804","0.0666","","","0.1956","0.206","","","","","","1.357","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203570","8.8093","0.0006","14.7493","0.001","15.4238","0.0012","67.222","0.004","82.777","0.004","86.232","0.004","1832.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","MF142Me8 1,4-bis((3,5-dimethylpyrazol-1-yl)methyl)benzene (Me5-PhCOOH)2","MF142Me8 1,4-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene (Me5-PhCOOH)2","","- C42 H54 N4 O4 -","- C42 H54 N4 O4 -","- C84 H108 N8 O8 -","2","1","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.1184","0.0798","","","0.2154","0.2413","","","","","","1.231","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203571","8.6489","0.0014","14.576","0.003","15.257","0.003","88.236","0.008","80.342","0.007","88.046","0.008","1894.4","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Cu N6 O7 -","- C44 H40 Cu N6 O7 -","- C88 H80 Cu2 N12 O14 -","2","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.1514","0.0997","","","0.1906","0.2107","","","","","","1.235","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203572","5.1824","0.0002","15.3047","0.0008","11.2209","0.0005","90","","100.618","0.003","90","","874.75","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0697","0.041","","","0.1023","0.1129","","","","","","0.989","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203573","24.7921","0.0009","5.9555","0.0002","11.8649","0.0003","90","","101.992","0.002","90","","1713.61","0.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0973","0.0787","","","0.1487","0.1558","","","","","","1.075","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203574","6.6661","0.0002","12.8086","0.0004","10.5343","0.0004","90","","105.883","0.001","90","","865.12","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0464","0.0385","","","0.1016","0.1062","","","","","","1.067","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203575","11.2284","0.0016","13.9722","0.0019","14.47","0.003","104.476","0.004","97.445","0.005","99.866","0.007","2129.9","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Cd N6 O7 -","- C44 H46.5 Cd N6 O7 -","- C88 H93 Cd2 N12 O14 -","2","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.2044","0.1343","","","0.1864","0.2092","","","","","","1.223","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203576","18.9609","0.0005","20.1474","0.0006","18.4747","0.0004","90","","96.418","0.002","90","","7013.3","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H79 Cd Cl2 N6 O12 -","- C66 H79 Cd Cl2 N6 O12 -","- C264 H316 Cd4 Cl8 N24 O48 -","4","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0783","0.0604","","","0.1175","0.1248","","","","","","1.078","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203577","17.707","0.006","20.119","0.003","19.17","0.009","90","","90","","90","","6829","4","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H76 Co N8 O8 -","- C66 H76 Co N8 O8 -","- C264 H304 Co4 N32 O32 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.159","0.1122","","","0.2218","0.2373","","","","","","1.219","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203578","17.707","0.003","20.072","0.004","19.219","0.002","90","","90","","90","","6830.7","1.9","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H76 N8 Ni O8 -","- C66 H76 N8 Ni O8 -","- C264 H304 N32 Ni4 O32 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.1289","0.097","","","0.1955","0.208","","","","","","1.077","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203579","12.71","0.003","25.181","0.005","13.499","0.003","90","","90","","90","","4320.4","1.6","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H50 Cd N6 O7 -","- C44 H50 Cd N6 O7 -","- C176 H200 Cd4 N24 O28 -","4","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0576","0.0442","","","0.1138","0.1211","","","","","","1.038","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203580","12.627","0.004","19.833","0.006","11.46","0.004","90","","96.049","0.004","90","","2854","1.6","143.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,5-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl) -1-methyl-pyridinium trifluoromethanesulfonate","3,5-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl) -1-methyl-pyridinium trifluoromethanesulfonate","","- C21 H30 F3 N5 O7 S -","- C21 H30 F3 N5 O7 S -","- C84 H120 F12 N20 O28 S4 -","4","1","","Hayakawa, Kenichi; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Pyridine-substituted nitronyl nitroxide biradicals: a triplet (S = 1) ground state lasting out N-methylation","Journal of Materials Chemistry","2006","16","42","4146","","10.1039/b609760j","","","0.7107","MoKα","","","0.0988","","","","0.1284","","","","","","1.236","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203581","11.275","0.004","11.242","0.004","17.688","0.006","108.566","0.003","110.869","0.003","89.344","0.003","1972.7","1.2","143.1","","","","","","","","","","","4","P -1","-P 1","2","3,5-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2- yl)pyridine","3,5-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl)pyridine","","- C19 H27 N5 O4 -","- C19 H27 N5 O4 -","- C76 H108 N20 O16 -","4","2","","Hayakawa, Kenichi; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Pyridine-substituted nitronyl nitroxide biradicals: a triplet (S = 1) ground state lasting out N-methylation","Journal of Materials Chemistry","2006","16","42","4146","","10.1039/b609760j","","","0.7107","MoKα","","","0.0665","","","","0.0852","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203582","20.457","0.011","25.429","0.014","14.537","0.008","90","","122.662","0.006","90","","6366","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H57 Co N15 O5 -","- C48 H56 Co N15 O5 -","- C192 H224 Co4 N60 O20 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.0953","0.0525","","","0.1387","0.1752","","","","","","1.035","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203583","22.923","0.003","24.682","0.004","8.334","0.0012","90","","90","","90","","4715.3","1.2","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C46 H44 Co N18 -","- C46 H44 Co N18 -","- C184 H176 Co4 N72 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.1659","0.057","","","0.1152","0.1535","","","","","","1.005","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203584","24.958","0.004","24.637","0.004","8.1686","0.0012","90","","90","","90","","5022.8","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H46 Co N18 O -","- C46 H44 Co N18 O -","- C184 H176 Co4 N72 O4 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.0711","0.0498","","","0.1541","0.1717","","","","","","1.063","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203585","9.0541","0.0018","18.159","0.004","9.7343","0.0019","90","","91.2","0.03","90","","1600.1","0.6","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine fumarate","","","- C15 H17 N O8 -","- C15 H17 N O8 -","- C60 H68 N4 O32 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0729","0.05","","","0.1094","0.1188","","","","","","1.11","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203586","9.8746","0.0004","7.1925","0.0004","12.2559","0.0005","90","","96.81","0.003","90","","864.31","0.07","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine fumaric acid co-crystal","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0723","0.0503","","","0.1179","0.131","","","","","","1.053","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203587","10.0598","0.0003","7.3023","0.0003","12.2512","0.0004","90","","97.47","0.002","90","","892.33","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0571","0.0426","","","0.1073","0.1163","","","","","","1.03","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203588","3.9653","0.0001","13.7652","0.0004","20.0488","0.0006","90","","91.603","0.001","90","","1093.9","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4 lutidine fumarate","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0707","0.0497","","","0.1197","0.1327","","","","","","1.081","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203589","4.8672","0.001","12.763","0.003","14.374","0.003","90","","96.2","0.03","90","","887.7","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.087","0.0496","","","0.1219","0.1423","","","","","","1.016","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203590","7.2696","0.0002","9.1353","0.0003","11.6311","0.0003","84.115","0.002","72.513","0.002","88.763","0.002","732.81","0.04","293","2","180","2","","","","","","","","4","P -1","-P 1","2","2,5 lutidine fumarate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0503","0.0426","","","0.123","0.1298","","","","","","1.09","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203591","4.7197","0.0009","15.272","0.003","12.819","0.003","90","","97.38","0.03","90","","916.3","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,5 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0669","0.0527","","","0.1402","0.1507","","","","","","1.057","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203592","15.733","0.003","15.106","0.003","7.6047","0.0015","90","","98.56","0.03","90","","1787.2","0.6","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C72 H96 N8 O16 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0531","0.0432","","","0.1058","0.1138","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203593","7.0478","0.0002","10.087","0.0003","10.857","0.0003","102.305","0.002","104.584","0.002","107.975","0.002","674.12","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","3,4 lutidine fumarate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0523","0.0421","","","0.0944","0.1015","","","","","","1.064","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203594","9.802","0.002","6.0385","0.0012","15.626","0.003","90","","102.49","0.03","90","","903","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.1148","0.065","","","0.1331","0.1578","","","","","","1.099","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203595","8.2345","0.0016","16.299","0.003","6.9681","0.0014","90","","108.17","0.03","90","","888.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5 lutidine fumaric acid co-crystal","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0404","0.0372","","","0.1032","0.1069","","","","","","1.084","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203596","10.464","0.002","4.9696","0.001","17.113","0.003","90","","95.67","0.03","90","","885.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0993","0.058","","","0.1263","0.1453","","","","","","1.038","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203597","9.088","0.002","10.425","0.004","25.005","0.007","90","","90","","90","","2369","1.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5H-dibenz(b,f)azepine-5-carboxamide 10,11-dihydro-5H- dibenz(b,f)azepine-5-carboxamide (1/1)","5H-dibenz[b,f]azepine-5-carboxamide 10,11-dihydro-5H-dibenz[b,f]azepine- 5-carboxamide (1/1)","","- C15 H13 N2 O -","- C15 H13 N2 O -","- C120 H104 N16 O8 -","8","1","","Florence, A. J.; Leech, C. K.; Shankland, N.; Shankland, K.; Johnston, A.","Control and prediction of packing motifs: a rare occurrence of carbamazepine in a catemeric configuration","CrystEngComm","2006","8","10","746","","10.1039/b610317k","","","1.54184","CuKα","","0.1045","0.0603","","","0.1488","0.1617","","","","","","0.954","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203598","15.1813","0.0006","17.6908","0.0007","35.4575","0.0014","90","","90","","90","","9522.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","η^5^-cyclopentadienyl(pentafluorophenyl)(triphenylphosphane)palladium(II)","","- C29 H20 F5 P Pd -","- C29 H20 F5 P Pd -","- C464 H320 F80 P16 Pd16 -","16","2","","Althoff, Gerhard; Ruiz, José; Rodríguez, Venancio; López, Gregorio; Pérez, José; Janiak, Christoph","Can a single C‒H⋯F‒C hydrogen bond make a difference? Assessing the H⋯F bond strength from 2-D ^1^H-^19^F CP/MAS NMR","CrystEngComm","2006","8","9","662","665","10.1039/b610718b","","","0.71073","MoKα","","0.0389","0.035","","","0.0896","0.0931","","","","","","0.821","","","","has coordinates","218381","2020-10-21","18:00:00",""
"7203599","8.4494","0.0017","4.7836","0.001","15.767","0.003","90","","99.491","0.003","90","","628.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Al F H4 O8 P2 -","- Al F H4 O8 P2 -","- Al4 F4 H16 O32 P8 -","4","1","","Parnham, Emily R.; Morris, Russell E.","Ionothermal synthesis using a hydrophobic ionic liquid as solvent in the preparation of a novel aluminophosphate chain structure","Journal of Materials Chemistry","2006","16","37","3682","","10.1039/b610774e","","","0.6999","synchrotron","","0.0706","0.055","","","0.1263","0.1376","","","","","","1.038","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203600","7.667","0.0008","13.7182","0.0013","11.7334","0.0008","90","","99.379","0.007","90","","1217.59","0.19","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C60 H56 N4 O8 -","2","0.5","","Berner, D.; Klein, C.; Nazeeruddin, Md. K.; De Angelis, Filippo; Castellani, M.; Bugnon, Ph.; Scopelliti, R.; Zuppiroli, L.; Graetzel, M.","Efficient blue light-emitting diodes based on a classical ?push?pull? architecture molecule 4,4?-di-(2-(2,5-dimethoxyphenyl)ethenyl)-2,2?-bipyridine","Journal of Materials Chemistry","2006","16","46","4468","","10.1039/b610880f","","","0.71073","MoKα","","0.0873","0.0349","","","0.063","0.074","","","","","","0.865","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203601","20.3226","0.0018","20.3226","0.0018","7.2569","0.0013","90","","90","","120","","2595.6","0.6","293","","293","","","","","","","","","8","P 63/m c m","-P 6c 2","193","","","","- C25.2 H8.4 Cl2.4 F8 I6 N6 P1.33 Se12 -","- C25.2 H6 Cl2.4 F7.95 I6 N6 P1.34 Se12 -","- C50.4 H12 Cl4.8 F15.9 I12 N12 P2.68 Se24 -","2","0.0833333","","Imakubo, Tatsuro; Kibune, Megumi; Yoshino, Hiroko; Shirahata, Takashi; Yoza, Kenji","Hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetraselenafulvalene: high yield recovery of the neutral ?-donor by a simple chemical reaction","Journal of Materials Chemistry","2006","16","42","4110","","10.1039/b611010j","","","0.71073","MoKα","","0.0404","0.0352","","","0.0999","0.1018","","","","","","1.132","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203602","20.3703","0.0017","20.3703","0.0017","7.2558","0.0012","90","","90","","120","","2607.4","0.5","293","","293","","","","","","","","","8","P 63/m c m","-P 6c 2","193","","","","- C25.2 H8.4 As1.33 Cl2.4 F8 I6 N6 Se12 -","- C25.2 H6 As1.34 Cl2.4 F7.95 I6 N6 Se12 -","- C50.4 H12 As2.68 Cl4.8 F15.9 I12 N12 Se24 -","2","0.0833333","","Imakubo, Tatsuro; Kibune, Megumi; Yoshino, Hiroko; Shirahata, Takashi; Yoza, Kenji","Hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetraselenafulvalene: high yield recovery of the neutral ?-donor by a simple chemical reaction","Journal of Materials Chemistry","2006","16","42","4110","","10.1039/b611010j","","","0.71073","MoKα","","0.0464","0.0344","","","0.0891","0.117","","","","","","1.08","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203603","20.4542","0.0017","20.4542","0.0017","7.2485","0.0013","90","","90","","120","","2626.3","0.6","293","","293","","","","","","","","","8","P 63/m c m","-P 6c 2","193","","","","- C25.2 H8.4 Cl2.4 F8 I6 N6 Sb1.33 Se12 -","- C25.2 H6 Cl2.4 F7.95 I6 N6 Sb1.34 Se12 -","- C50.4 H12 Cl4.8 F15.9 I12 N12 Sb2.68 Se24 -","2","0.0833333","","Imakubo, Tatsuro; Kibune, Megumi; Yoshino, Hiroko; Shirahata, Takashi; Yoza, Kenji","Hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetraselenafulvalene: high yield recovery of the neutral ?-donor by a simple chemical reaction","Journal of Materials Chemistry","2006","16","42","4110","","10.1039/b611010j","","","0.71073","MoKα","","0.059","0.0426","","","0.1004","0.1285","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203604","16.9297","0.0012","16.9297","0.0012","6.7285","0.0006","90","","90","","90","","1928.5","0.3","298","2","298","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C18 H19 Ag4 I4 N17 O12 -","- C18 H16 Ag4 I4 N17 O12 -","- C36 H32 Ag8 I8 N34 O24 -","2","0.125","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.032","0.0222","","","0.0466","0.0492","","","","","","1.04","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203605","18.711","0.003","18.711","0.003","22.584","0.003","90","","90","","90","","7907","2","298","2","298","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C4 H4 Ag F6 I N3 P -","- C4 H4 Ag F6 I N3 P -","- C64 H64 Ag16 F96 I16 N48 P16 -","16","1","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.0995","0.0481","","","0.103","0.1133","","","","","","1.034","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203606","19.1267","0.0017","11.4655","0.0009","9.0154","0.0013","90","","90","","90","","1977.1","0.4","295","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C4 H4 Ag Cl I N3 O4 -","- C4 H4 Ag Cl I N3 O4 -","- C32 H32 Ag8 Cl8 I8 N24 O32 -","8","1","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.0791","0.0501","","","0.0983","0.1091","","","","","","1.052","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203607","12.418","0.0013","21.168","0.002","15.019","0.0016","90","","111.75","0.002","90","","3666.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30.75 H28.75 Ag3 Cl0.5 N11.75 O9 -","- C30.75 H28.75 Ag3 Cl0.5 N11.75 O9 -","- C123 H115 Ag12 Cl2 N47 O36 -","4","1","","Bianca Antonioli; Jack K. Clegg; David J. Bray; Kerstin Gloe; Karsten Gloe; Holger Heßke; Leonard F. Lindoy","An unprecedented bridging [Ag<small><sub>2</sub></small>(NO<small><sub>3</sub></small>)<small><sub>6</sub></small>]<small><sup>4−</sup></small> anion as a component of an infinite silver(<small>I</small>) molecular ladder incorporating a dinuclear cationic silver complex of a bis-dipyridylamine ligand","CrystEngComm","2006","8","10","748","","10.1039/b611270f","","","0.71073","MoKα","","0.0508","0.0335","","","0.0755","0.0819","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203608","7.5821","0.0007","7.7098","0.0007","16.7833","0.0016","92.261","0.002","93.43","0.002","110.97","0.001","912.52","0.15","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Mn N4 O14 S2 -","- C34 H34 Mn N4 O14 S2 -","- C34 H34 Mn N4 O14 S2 -","1","0.5","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0651","0.0594","","","0.1583","0.1689","","","","","","1.103","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203609","7.1234","0.0005","18.3038","0.0014","12.4646","0.0009","90","","99.972","0.001","90","","1600.6","0.2","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 Mn N4 O13 S -","- C27 H36 Mn N4 O13 S -","- C54 H72 Mn2 N8 O26 S2 -","2","1","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0595","0.0502","","","0.0886","0.0933","","","","","","1.041","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203610","11.7049","0.0007","7.2824","0.0004","13.4553","0.0008","90","","114.163","0.001","90","","1046.44","0.11","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H22 Mn N2 O10 S -","- C17 H22 Mn N2 O10 S -","- C34 H44 Mn2 N4 O20 S2 -","2","1","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0353","0.0351","","","0.0851","0.0853","","","","","","1.121","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203611","14.4525","0.0004","20.8624","0.0007","7.8359","0.0002","90","","109.113","0.0017","90","","2232.39","0.11","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H30 Cl2 I6 N8 -","- C40 H30 Cl2 I6 N8 -","- C80 H60 Cl4 I12 N16 -","2","0.25","","Goldberg, Israel; Muniappan, Sankar; George, Sumod; Lipstman, Sophia","Self-assembly of uniquely structured porphyrin network solids by charged N?H?Cl and N?H?O hydrogen bonds","CrystEngComm","2006","8","11","784","","10.1039/b611384b","","","0.71073","MoKα","","0.0717","0.0484","","","0.1285","0.1451","","","","","","1.073","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203612","28.715","0.0006","24.5928","0.0006","8.1377","0.0002","90","","103.647","0.0017","90","","5584.5","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 N6 O8 Pt -","- C48 H32 N6 O8 Pt -","- C192 H128 N24 O32 Pt4 -","4","0.5","","Goldberg, Israel; Muniappan, Sankar; George, Sumod; Lipstman, Sophia","Self-assembly of uniquely structured porphyrin network solids by charged N?H?Cl and N?H?O hydrogen bonds","CrystEngComm","2006","8","11","784","","10.1039/b611384b","","","0.71073","MoKα","","0.0554","0.039","","","0.0803","0.0853","","","","","","0.952","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203613","9.1433","0.0004","16.1077","0.0006","17.4365","0.0007","114.815","0.002","91.345","0.002","92.087","0.002","2327.22","0.17","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br4 Cd Cl9 N2 O4 -","- C40 H25 Br4 Cd Cl9 N2 O4 -","- C80 H50 Br8 Cd2 Cl18 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.116","0.0623","","","0.1126","0.1262","","","","","","1.017","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203614","9.0994","0.0007","15.7338","0.0013","17.0478","0.0014","112.465","0.002","92.386","0.002","90.89","0.002","2252.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br2 Cl11 Co N2 O4 -","- C40 H25 Br2 Cl11 Co N2 O4 -","- C80 H50 Br4 Cl22 Co2 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0861","0.0589","","","0.1521","0.1644","","","","","","1.05","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203615","9.0953","0.0018","15.939","0.003","17.3","0.004","113.92","0.03","91.97","0.03","91.79","0.03","2288.4","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br2 Cl11 Hg N2 O4 -","- C40 H25 Br2 Cl11 Hg N2 O4 -","- C80 H50 Br4 Cl22 Hg2 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0629","0.0463","","","0.1261","0.1385","","","","","","1.059","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203616","12.75","0.0011","16.1881","0.0014","37.508","0.003","90","","90","","90","","7741.6","1.1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br4 Cl3 Hg N2 O4 -","- C38 H23 Br4 Cl3 Hg N2 O4 -","- C304 H184 Br32 Cl24 Hg8 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1117","0.0575","","","0.1149","0.1313","","","","","","1.032","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203617","12.608","0.0009","16.2385","0.0013","37.085","0.003","90","","90","","90","","7592.6","1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br2 Cl5 Hg N2 O4 -","- C38 H23 Br2 Cl5 Hg N2 O4 -","- C304 H184 Br16 Cl40 Hg8 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1023","0.0469","","","0.0844","0.0993","","","","","","1.024","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203618","12.741","0.003","15.79","0.003","40.525","0.008","90","","90","","90","","8153","3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br2 Cl3 Hg I2 N2 O4 -","- C38 H23 Br2 Cl3 Hg I2 N2 O4 -","- C304 H184 Br16 Cl24 Hg8 I16 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0712","0.0375","","","0.0794","0.0854","","","","","","1.07","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203619","9.1378","0.0014","15.927","0.003","17.21","0.003","114.132","0.006","91.838","0.007","91.495","0.007","2282.5","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br4 Cl9 N2 O4 Zn -","- C40 H25 Br4 Cl9 N2 O4 Zn -","- C80 H50 Br8 Cl18 N4 O8 Zn2 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1958","0.0833","","","0.1911","0.2293","","","","","","1.023","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203620","16.696","0.0009","15.165","0.0008","24.3472","0.0013","90","","98.486","0.001","90","","6097.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(kappa$2!(C$2!,N)-2-phenylpyridine)(kappa$2!(N,O)-5,7- dibromo-8-quinolinolate)iridium(iii) diethylether solvate","bis(κ^2^(C^2^,N)-2-phenylpyridine)(κ^2^(N,O)-5,7-dibromo-8- quinolinolate)iridium(III) diethylether solvate","","- C35 H30 Br2 Ir N3 O2 -","- C34.144 H27.86 Br2 Ir N3 O1.786 -","- C273.152 H222.88 Br16 Ir8 N24 O14.288 -","8","2","","Kappaun, Stefan; Eder, Sabrina; Sax, Stefan; Saf, Robert; Mereiter, Kurt; List, Emil J. W.; Slugovc, Christian","WPLEDs prepared from main-chain fluorene?iridium(iii) polymers","Journal of Materials Chemistry","2006","16","45","4389","","10.1039/b611738d","","","0.71073","MoKα","","0.054","0.0359","","","0.0776","0.0857","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203621","16.8813","0.001","9.6871","0.0006","20.1273","0.0011","90","","105.117","0.001","90","","3177.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(kappa$2!(C$2!,N)-2-phenylpyridine)(kappa$2!(N,O)-5,7- diphenyl-8-quinolinolate)iridium(iii)","bis(κ^2^(C^2^,N)-2-phenylpyridine)(κ^2^(N,O)-5,7-diphenyl-8- quinolinolate)iridium(III)","","- C43 H30 Ir N3 O -","- C43 H30 Ir N3 O -","- C172 H120 Ir4 N12 O4 -","4","1","","Kappaun, Stefan; Eder, Sabrina; Sax, Stefan; Saf, Robert; Mereiter, Kurt; List, Emil J. W.; Slugovc, Christian","WPLEDs prepared from main-chain fluorene?iridium(iii) polymers","Journal of Materials Chemistry","2006","16","45","4389","","10.1039/b611738d","","","0.71073","MoKα","","0.0297","0.0223","","","0.0485","0.0514","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203622","19.8677","0.0014","5.2047","0.0004","13.8276","0.001","90","","128.451","0.002","90","","1119.77","0.15","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","(Ag(SS-chxn))COO\τimes0.5 H2O","","","- C16 H36 Ag2 N4 O5 -","- C16 H36 Ag2 N4 O5 -","- C32 H72 Ag4 N8 O10 -","2","0.5","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0262","0.0254","","","0.0649","0.0656","","","","","","1.043","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203623","10.394","0.004","10.851","0.004","11.268","0.004","90","","106.477","0.006","90","","1218.7","0.8","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ag(rac-chxn))COO\τimes2 H2O","","","- C8 H21 Ag N2 O4 -","- C8 H21 Ag N2 O4 -","- C32 H84 Ag4 N8 O16 -","4","1","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0329","0.029","","","0.0737","0.076","","","","","","1.085","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203624","16.793","0.009","8.058","0.004","11.766","0.006","90","","90","","90","","1592.2","1.4","130","2","130","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","(Ag(SS-chxn))BF4\τimes0.33 H2O","","","- C18 H44 Ag3 B3 F12 N6 O -","- C18 H44 Ag3 B3 F12 N6 O -","- C36 H88 Ag6 B6 F24 N12 O2 -","2","0.5","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0684","0.0516","","","0.1307","0.1409","","","","","","1.033","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203625","11.108","0.003","9.137","0.003","9.755","0.003","90","","100.108","0.005","90","","974.7","0.5","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Ag(rac-chxn))BF4","","","- C6 H14 Ag B F4 N2 -","- C6 H14 Ag B F4 N2 -","- C24 H56 Ag4 B4 F16 N8 -","4","1","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0659","0.0563","","","0.1078","0.1131","","","","","","1.093","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203626","24.132","0.006","6.8438","0.0016","11.751","0.003","90","","93.354","0.004","90","","1937.4","0.8","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","(Ag(SS-chxn))NO3","","","- C6 H14 Ag N3 O3 -","- C6 H14 Ag N3 O3 -","- C48 H112 Ag8 N24 O24 -","8","2","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0552","0.0528","","","0.1471","0.1489","","","","","","1.109","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203627","8.7988","0.0017","8.7709","0.0017","14.151","0.003","90","","100.771","0.004","90","","1072.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Dy O9 S -","- C7 H9 Dy O9 S -","- C28 H36 Dy4 O36 S4 -","4","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0591","0.0488","","","0.1111","0.1142","","","","","","1.067","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203628","15.868","0.004","9.2","0.003","14.955","0.004","90","","90","","90","","2183.2","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Eu O9 S -","- C7 H9 Eu O9 S -","- C56 H72 Eu8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0414","0.0355","","","0.1062","0.1121","","","","","","0.977","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203629","15.874","0.004","9.161","0.002","14.936","0.004","90","","90","","90","","2172","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Gd O9 S -","- C7 H9 Gd O9 S -","- C56 H72 Gd8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0381","0.0294","","","0.0816","0.0872","","","","","","0.836","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203630","15.861","0.004","9.269","0.002","14.971","0.004","90","","90","","90","","2201","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Nd O9 S -","- C7 H9 Nd O9 S -","- C56 H72 Nd8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0333","0.029","","","0.0933","0.0969","","","","","","1.015","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203631","15.877","0.004","9.203","0.002","14.958","0.004","90","","90","","90","","2185.6","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H72 O72 S8 Sm8 -","- C56 H72 O72 S8 Sm8 -","- C56 H72 O72 S8 Sm8 -","1","0.125","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0503","0.0346","","","0.0715","0.0736","","","","","","1.085","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203632","15.882","0.004","9.212","0.002","14.969","0.004","90","","90","","90","","2190","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 O9 S Tb -","- C7 H9 O9 S Tb -","- C56 H72 O72 S8 Tb8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0372","0.0307","","","0.1018","0.1075","","","","","","0.992","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203633","8.782","0.002","8.701","0.002","14.038","0.004","90","","100.73","0.005","90","","1053.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 O9 S Yb -","- C7 H9 O9 S Yb -","- C28 H36 O36 S4 Yb4 -","4","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0494","0.0394","","","0.084","0.0869","","","","","","1.042","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203634","19.1929","0.0013","7.1978","0.0005","24.4277","0.0017","90","","90","","90","","3374.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C13 H20 Cl2 N4 O3 Zn -","- C13 H14 Cl2 N4 O3 Zn -","- C104 H112 Cl16 N32 O24 Zn8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0622","0.0477","","","0.109","0.1154","","","","","","1.08","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203635","18.3464","0.0017","6.8405","0.0006","24.146","0.002","90","","90","","90","","3030.3","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H12 Cl2 N4 O2.98 Zn -","- C11 H10 Cl2 N4 O2.98 Zn -","- C88 H80 Cl16 N32 O23.84 Zn8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0588","0.0448","","","0.0962","0.1013","","","","","","1.097","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203636","10.7579","0.0007","16.5516","0.0011","19.2846","0.0013","90","","96.307","0.001","90","","3413","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 N8 O11 Zn2 -","- C30 H34 N8 O11 Zn2 -","- C120 H136 N32 O44 Zn8 -","4","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0339","0.0283","","","0.0739","0.077","","","","","","1.041","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203637","4.8526","0.0005","16.2068","0.0017","24.048","0.002","90","","100.387","0.002","90","","1860.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O7 S Zn -","- C13 H16 N4 O7 S Zn -","- C52 H64 N16 O28 S4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0461","0.0409","","","0.1214","0.1242","","","","","","1.161","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203638","18.371","0.003","9.8668","0.0016","15.866","0.003","90","","90","","90","","2875.9","0.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H10 Cl2 N4 O Zn -","- C11 H10 Cl2 N4 O Zn -","- C88 H80 Cl16 N32 O8 Zn8 -","8","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0317","0.0301","","","0.0731","0.0738","","","","","","1.076","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203639","9.2135","0.0016","12.441","0.002","19.292","0.003","90","","95.447","0.004","90","","2201.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cl3 N4 O5 Zn -","- C16 H17 Cl3 N4 O5 Zn -","- C64 H68 Cl12 N16 O20 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.1127","0.0686","","","0.1389","0.1572","","","","","","1.005","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203640","7.7362","0.0014","10.8978","0.0019","21.528","0.004","90","","96.732","0.004","90","","1802.5","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N4 O9 S Zn -","- C12 H20 N4 O9 S Zn -","- C48 H80 N16 O36 S4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0872","0.0568","","","0.1049","0.1158","","","","","","1.012","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203641","10.873","0.002","11.598","0.002","13.394","0.003","77.732","0.009","77.628","0.005","70.025","0.005","1532.6","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H38 Cu N4 O14 -","- C25 H32 Cu N4 O14 -","- C50 H64 Cu2 N8 O28 -","2","1","","Doyle, Robert P.; Nieuwenhuyzen, Mark; Kruger, Paul E.","A molecular ?back-flip?: the structural consequences of the crystal-to-crystal phase transition between [(phen)2CuCO3]?11H2O and [(phen)2CuCO3]?7H2O","CrystEngComm","2006","8","12","904","","10.1039/b612319h","","","0.71073","MoKα","","0.0919","0.0625","","","0.1659","0.1844","","","","","","1.069","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203642","9.8564","0.0006","26.1503","0.0012","10.4712","0.0007","90","","105.948","0.005","90","","2595.1","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cu N4 O10 -","- C25 H30 Cu N4 O10 -","- C100 H120 Cu4 N16 O40 -","4","1","","Doyle, Robert P.; Nieuwenhuyzen, Mark; Kruger, Paul E.","A molecular ?back-flip?: the structural consequences of the crystal-to-crystal phase transition between [(phen)2CuCO3]?11H2O and [(phen)2CuCO3]?7H2O","CrystEngComm","2006","8","12","904","","10.1039/b612319h","","","0.71073","MoKα","","0.1834","0.0913","","","0.2187","0.3136","","","","","","0.923","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203643","23.59","0.005","8.8353","0.0018","19.166","0.004","90","","90","","90","","3994.7","1.4","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C40 H38 N4 O6 -","- C40 H38 N4 O6 -","- C160 H152 N16 O24 -","4","0.5","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.1324","0.1142","","","0.3014","0.3131","","","","","","1.3","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203644","11.8342","0.0007","13.163","0.0007","13.4024","0.0008","96.141","0.003","113.484","0.002","113.069","0.003","1673.86","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H33 N5 O2 -","- C42 H33 N5 O2 -","- C84 H66 N10 O4 -","2","1","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.1713","0.0846","","","0.1865","0.2223","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203645","10.242","0.0003","14.7567","0.0007","22.8507","0.001","90","","92.363","0.003","90","","3450.7","0.2","120","2","120","2","","","","","","","Simon Brooks","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 N4 O3 -","- C43 H36 N4 O3 -","- C172 H144 N16 O12 -","4","1","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.154","0.0626","","","0.1263","0.1554","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203646","6.5705","0.0011","7.6756","0.0014","12.6098","0.0018","85.165","0.013","76.785","0.013","73.868","0.016","594.58","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0243","0.0218","","","0.0708","0.0734","","","","","","1.115","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203647","6.6652","0.001","7.7196","0.0012","12.572","0.002","84.567","0.014","76.328","0.014","74.007","0.014","603.9","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0409","0.0278","","","0.0857","0.094","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203648","4.3029","0.0009","5.7033","0.0009","12.6098","0.0018","100.859","0.013","95.703","0.013","99.229","0.011","297.29","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","1","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0328","0.0322","","","0.0906","0.0912","","","","","","1.068","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203649","4.3493","0.0008","5.7526","0.0008","12.572","0.002","101.564","0.014","95.572","0.014","98.717","0.01","301.95","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","1","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0339","0.0298","","","0.0875","0.0911","","","","","","1.149","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203650","27.4793","0.0011","6.028","0.0003","7.319","0.0003","90","","90","","90","","1212.36","0.09","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C48 H56 Cl8 N8 -","4","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0294","0.0249","","","0.0785","0.0807","","","","","","1.059","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203651","27.459","0.003","6.0877","0.0008","7.3074","0.001","90","","90","","90","","1221.5","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C48 H56 Cl8 N8 -","4","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0571","0.0397","","","0.1313","0.1465","","","","","","1.101","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203652","8.884","0.003","40.601","0.011","10.98","0.003","90","","96.18","0.004","90","","3937","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C144 H180 N36 O36 S12 -","12","3","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6778","Synchrotron","","0.1088","0.0903","","","0.2096","0.2245","","","","","","1.002","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203653","7.385","0.0002","15.931","0.0005","25.394","0.0011","90","","90","","90","","2987.62","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C104 H152 N24 O32 S8 -","8","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.1248","0.0559","","","0.1062","0.1283","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203654","11.094","0.0002","10.685","0.0002","12.71","0.0003","90","","102.954","0.001","90","","1468.29","0.05","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C52 H76 N12 O16 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0573","0.0382","","","0.0885","0.0973","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203655","8.742","0.0002","28.396","0.0005","10.877","0.0002","90","","92.953","0.001","90","","2696.5","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C96 H120 N24 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0925","0.0529","","","0.1098","0.1255","","","","","","1.051","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203656","13.581","0.004","30.358","0.011","8.693","0.003","90","","125.803","0.019","90","","2906.8","1.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C104 H136 N24 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6894","Synchrotron","","0.0547","0.0447","","","0.1126","0.1178","","","","","","0.99","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203657","54.44","0.03","10.652","0.004","10.105","0.003","90","","90","","90","","5860","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C208 H272 N48 O48 S16 -","16","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6894","Synchrotron","","0.099","0.0628","","","0.1528","0.1685","","","","","","1.024","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203658","13.045","0.0002","13.718","0.0002","17.847","0.0003","90","","90","","90","","3193.74","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N3 O4 S -","- C12 H23 N3 O4 S -","- C96 H184 N24 O32 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0963","0.0785","","","0.2162","0.2357","","","","","","1.074","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203659","6.894","0.0001","17.476","0.0004","14.21","0.0003","90","","103.18","0.001","90","","1666.92","0.06","240","2","240","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N3 O4 S -","- C13 H25 N3 O4 S -","- C52 H100 N12 O16 S4 -","4","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0705","0.0466","","","0.1206","0.1313","","","","","","1.025","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203660","10.8207","0.0016","13.254","0.002","11.8837","0.0018","90","","103.423","0.002","90","","1657.8","0.4","240","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N3 O4 S -","- C13 H25 N3 O4 S -","- C52 H100 N12 O16 S4 -","4","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6778","Synchrotron","","0.0946","0.0888","","","0.2392","0.2469","","","","","","1.006","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203661","6.4309","0.0005","7.9829","0.0006","16.214","0.0012","90","","92.057","0.002","90","","831.85","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 N3 O3 S -","- C4 H13 N3 O3 S -","- C16 H52 N12 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6867","Synchrotron","","0.0481","0.044","","","0.1194","0.123","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203662","10.6084","0.0004","11.3449","0.0005","10.0582","0.0004","90","","90","","90","","1210.52","0.09","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6867","Synchrotron","","0.0395","0.0381","","","0.0986","0.0995","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203663","16.888","0.005","12.43","0.006","19.756","0.006","90","","96.98","0.02","90","","4116","3","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br2 Cl10 N2 -","- C37 H22 Br2 Cl10 N2 -","- C148 H88 Br8 Cl40 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.071","","","","0.091","","","","","","1.93","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203664","20.081","0.006","14.094","0.004","12.065","0.003","90","","90","","90","","3414.7","1.6","294","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H23 Br5 Cl2 N2 -","- C36 H23 Br5 Cl2 N2 -","- C144 H92 Br20 Cl8 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.064","","","","0.065","","","","","","1.72","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203665","18.522","0.006","8.282","0.001","19.622","0.006","90","","100.02","0.01","90","","2964.1","1.4","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H22 Br2 Cl2 N2 -","- C35 H24 Br2 Cl2 N2 -","- C140 H96 Br8 Cl8 N8 -","4","0.5","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.046","","","","0.056","","","","","","1.65","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203666","10.383","0.003","9.893","0.001","13.212","0.003","90","","98.41","0.01","90","","1342.5","0.5","294","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H24 Cl2 N2 -","- C35 H24 Cl2 N2 -","- C70 H48 Cl4 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.042","","","","0.051","","","","","","1.58","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203667","5.7952","0.001","8.3871","0.0014","8.7671","0.0014","72.308","0.003","76.989","0.003","86.488","0.004","395.54","0.11","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C18 H20 N4 -","1","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.072","0.056","","","0.161","0.172","","","","","","1.02","","","","has coordinates","275108","2022-05-06","15:12:09",""
"7203668","6.0705","0.0012","5.6162","0.0011","23.339","0.005","90","","93.573","0.004","90","","794.2","0.3","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C36 H40 N8 -","2","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.096","0.067","","","0.165","0.178","","","","","","1.15","","","","has coordinates","275108","2022-05-06","15:12:20",""
"7203669","11.7026","0.0013","5.5972","0.0006","12.3769","0.0014","90","","94.702","0.003","90","","807.98","0.15","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C36 H40 N8 -","2","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.095","0.058","","","0.154","0.19","","","","","","1.04","","","","has coordinates","275108","2022-05-06","15:12:22",""
"7203670","10.882","0.004","14.319","0.005","14.827","0.005","62.896","0.005","89.982","0.006","69.685","0.005","1893.9","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 Hg2 I4 N6 O6 -","- C33 H21 Hg2 I4 N6 O6 -","- C66 H42 Hg4 I8 N12 O12 -","2","1","","Xing-Qiang Lü; Mei Pan; Jian-Rong He; Yue-Peng Cai; Bei-Sheng Kang; Cheng-Yong Su","Three-fold parallel interlocking of 2-D brick-wall networks showing ladder-like unsymmetrical Borromean links","CrystEngComm","2006","8","11","827","","10.1039/b613667m","","","0.71073","MoKα","","0.06","0.0423","","","0.102","0.1107","","","","","","1.025","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203671","7.6003","0.0008","16.7695","0.0017","9.7696","0.001","90","","101.522","0.002","90","","1220.1","0.2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 Ni O4 -","- C12 H10 N2 Ni O4 -","- C48 H40 N8 Ni4 O16 -","4","1","","Hogben, Timothy; Douthwaite, Richard E.; Gillie, Lisa J.; Whitwood, Adrian C.","Synthesis of a neutral metal?organic network solid [(MeIm)Ni(BDC)] (where MeIm = methylimidazole and BDC = 1,4-benzenedicarboxylate) in an ionic liquid solvent 1-methyl-3-propylimidazolium bromide","CrystEngComm","2006","8","12","866","","10.1039/b614104h","","","0.71073","MoKα","","0.0495","0.0376","","","0.0801","0.084","","","","","","1.071","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203672","10.8755","0.0005","19.129","0.002","19.3765","0.0018","90","","98.745","0.005","90","","3984.2","0.6","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Eu2 N12 O18 W -","- C22 H36 Eu2 N12 O17 W -","- C88 H144 Eu8 N48 O68 W4 -","4","1","","Stefania Tanase; Ferry Prins; Jan M. M. Smits; René de Gelder","Three-dimensional Ln<small><sup>III</sup></small>‒W<small><sup>IV</sup></small> complexes with cyanido and carboxylato bridges","CrystEngComm","2006","8","12","863","","10.1039/b614215j","","","0.71073","MoKα","","0.0246","0.0203","","0.045","0.0435","0.045","","","1.104","","","1.104","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203673","10.9221","0.0005","19.266","0.002","19.4537","0.0009","90","","98.385","0.005","90","","4049.8","0.5","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 N12 Nd2 O17 W -","- C25 H42 N12 Nd2 O17 W -","- C100 H168 N48 Nd8 O68 W4 -","4","1","","Stefania Tanase; Ferry Prins; Jan M. M. Smits; René de Gelder","Three-dimensional Ln<small><sup>III</sup></small>‒W<small><sup>IV</sup></small> complexes with cyanido and carboxylato bridges","CrystEngComm","2006","8","12","863","","10.1039/b614215j","","","0.71073","MoKα","","0.0345","0.0254","","0.0585","0.0555","0.0585","","","1.131","","","1.131","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7209398","6.898","","7.011","","11.773","","90","","90","","90","","569.364","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Au Sn2 -","- Au Sn2 -","- Au8 Sn16 -","8","1","","Wu, Z.; Rodewald, U.C.; Hoffmann, R.D.; Poettgen, R.","Structure refinement of Au Sn2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","108","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221399","5.377","","5.3437","","7.578","","90","","90","","90","","217.739","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Pr Co O3","","- Co O3 Pr -","- Co O3 Pr -","- Co4 O12 Pr4 -","4","0.5","","Alonso, J.A.; Martinez-Lope, M.J.; Pomjakushin, V.; de la Calle, C.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221400","5.20213","","5.39826","","7.42412","","90","","90","","90","","208.487","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Tb Co O3","","- Co O3 Tb -","- Co O3 Tb -","- Co4 O12 Tb4 -","4","0.5","","Alonso, J.A.; Pomjakushin, V.; de la Calle, C.; Martinez-Lope, M.J.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221401","5.16983","","5.4104","","7.397","","90","","90","","90","","206.9","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Dy Co O3","","- Co Dy O3 -","- Co Dy O3 -","- Co4 Dy4 O12 -","4","0.5","","Alonso, J.A.; Martinez-Lope, M.J.; Pomjakushin, V.; de la Calle, C.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221402","5.1437","","5.4159","","7.3751","","90","","90","","90","","205.454","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Ho Co O3","","- Co Ho O3 -","- Co Ho O3 -","- Co4 Ho4 O12 -","4","0.5","","Alonso, J.A.; Pomjakushin, V.; Martinez-Lope, M.J.; de la Calle, C.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221403","5.1212","","5.4191","","7.3519","","90","","90","","90","","204.032","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Er Co O3","","- Co Er O3 -","- Co Er O3 -","- Co4 Er4 O12 -","4","0.5","","Alonso, J.A.; de la Calle, C.; Martinez-Lope, M.J.; Pomjakushin, V.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221404","5.1049","","5.4135","","7.3282","","90","","90","","90","","202.518","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Tm Co O3","","- Co O3 Tm -","- Co O3 Tm -","- Co4 O12 Tm4 -","4","0.5","","Alonso, J.A.; Pomjakushin, V.; Martinez-Lope, M.J.; de la Calle, C.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221405","5.086","","5.4147","","7.3071","","90","","90","","90","","201.231","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Yb Co O3","","- Co O3 Yb -","- Co O3 Yb -","- Co4 O12 Yb4 -","4","0.5","","Alonso, J.A.; Martinez-Lope, M.J.; de la Calle, C.; Pomjakushin, V.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221406","5.0667","","5.41565","","7.29356","","90","","90","","90","","200.131","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Lu Co O3","","- Co Lu O3 -","- Co Lu O3 -","- Co4 Lu4 O12 -","4","0.5","","Alonso, J.A.; Martinez-Lope, M.J.; de la Calle, C.; Pomjakushin, V.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221407","5.55902","","5.55902","","7.885","","90","","90","","90","","243.668","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Fe1.47 Te0.53 O6","","- Fe1.47 O6 Sr2 Te0.53 -","- Fe1.47 O6 Sr2 Te0.53 -","- Fe2.94 O12 Sr4 Te1.06 -","2","0.125","","Augsburger, M.S.; Viola, M.C.; Pedregosa, J.C.; Carbonio, R.E.; Alonso, J.A.","Crystal structure and magnetism of the double perovskites Sr3 Fe2 Te O9 and Ba3 Fe2 Te O9: a neutron diffraction study","Journal of Materials Chemistry","2006","16","","4235","4242","","","","","","","","","","","","","","","","","","","","","","has coordinates","150362","2020-10-21","18:00:00",""
"7221408","5.767","","5.767","","14.1998","","90","","90","","120","","408.99","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 (Fe1.99 Te1.01) O9","","- Ba3 Fe1.99 O9 Te1.01 -","- Ba3 Fe1.99 O9 Te1.01 -","- Ba6 Fe3.98 O18 Te2.02 -","2","0.0833333","","Augsburger, M.S.; Viola, M.C.; Pedregosa, J.C.; Carbonio, R.E.; Alonso, J.A.","Crystal structure and magnetism of the double perovskites Sr3 Fe2 Te O9 and Ba3 Fe2 Te O9: a neutron diffraction study","Journal of Materials Chemistry","2006","16","","4235","4242","","","","","","","","","","","","","","","","","","","","","","has coordinates","150363","2020-10-21","18:00:00",""
"7221465","14.136","","5.9985","","9.6879","","90","","90","","90","","821.484","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C8 O4 S2 -","- C8 O4 S2 -","- C32 O16 S8 -","4","1","","Beck, J.; Krieger-Beck, P.; Kelm, K.","The squaric acid derivatives C8 O4 S2 and C8 O4 Se2 - crystal structures, explosive thermal behavior and the preparation of carbon suboxide selenide O C3 Se by flash vacuum pyrolysis","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","123","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221466","4.1546","","8.9429","","11.6014","","90","","90","","90","","431.04","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C8 O4 Se2 -","- C8 O4 Se2 -","- C16 O8 Se4 -","2","0.25","","Beck, J.; Krieger-Beck, P.; Kelm, K.","The squaric acid derivatives C8 O4 S2 and C8 O4 Se2 - crystal structures, explosive thermal behavior and the preparation of carbon suboxide selenide O C3 Se by flash vacuum pyrolysis","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","123","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221471","14.144","","14.144","","4.0902","","90","","90","","120","","708.63","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","Pb (C (C N)3)2","","- C8 N6 Pb -","- C8 N6 Pb -","- C24 N18 Pb3 -","3","0.5","","Deflon, V.M.; de Sousa Lopes, C.C.; Bessler, K.E.; Niquet, E.; Romualdo, L.L.","Preparation, characterization and crystal structure of lead(II) tricyanomethanide","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","33","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221472","3.85688","","3.85688","","9.6874","","90","","90","","90","","144.105","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Ho O (N O3)","","- Ho N O4 -","- Ho N O4 -","- Ho2 N2 O8 -","2","0.125","","Dill, S.; Meyer, H.J.","Synthese und Untersuchung der Lanthanoidoxidnitrate Ln O N O3 (Ln = Pr, Nd und Sm-Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","11","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221480","4.4744","","10.7948","","8.1323","","90","","90","","90","","392.792","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Eu Pd Tl2 -","- Eu Pd Tl2 -","- Eu4 Pd4 Tl8 -","4","0.25","","Kraft, R.; Sebastian, C.P.; Rayaprol, S.; Poettgen, R.","Ferromagnetic ordering in the thallide Eu Pd Tl2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","159","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221481","5.567712","","5.567712","","22.01526","","90","","90","","120","","591.028","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Zn0.5 Ti3.5 O15","","- La5 O15 Ti3.5 Zn0.5 -","- La5 O15 Ti3.5 Zn0.5 -","- La10 O30 Ti7 Zn -","2","0.166667","","Kuang, X.; Allix, M.M.B.; Rosseinsky, M.J.; Niu, H.J.; Claridge, J.B.; Iddles, D.M.; Ibberson, R.M.","Crstal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","151170","2020-10-21","18:00:00",""
"7221482","5.563013","","5.563013","","21.98238","","90","","90","","120","","589.149","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Mg0.5 Ti3.5 O15","","- La5 Mg0.5 O15 Ti3.5 -","- La5 Mg0.5 O15 Ti3.5 -","- La10 Mg O30 Ti7 -","2","0.166667","","Kuang, X.; Allix, M.M.B.; Claridge, J.B.; Ibberson, R.M.; Rosseinsky, M.J.; Niu, H.J.; Iddles, D.M.","Crstal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","151171","2020-10-21","18:00:00",""
"7221483","5.545747","","5.545747","","21.95905","","90","","90","","120","","584.877","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Ga Ti3 O15","","- Ga La5 O15 Ti3 -","- Ga1.006 La5 O15 Ti3 -","- Ga2.012 La10 O30 Ti6 -","2","0.166667","","Kuang, X.; Niu, H.J.; Allix, M.M.B.; Claridge, J.B.; Rosseinsky, M.J.; Iddles, D.M.; Ibberson, R.M.","Crstal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221484","5.519616","","5.519616","","21.97003","","90","","90","","120","","579.668","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Al Ti3 O15","","- Al La5 O15 Ti3 -","- Al La5 O15 Ti3 -","- Al2 La10 O30 Ti6 -","2","0.166667","","Kuang, X.; Allix, M.M.B.; Iddles, D.M.; Claridge, J.B.; Niu, H.J.; Rosseinsky, M.J.; Ibberson, R.M.","Crystal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221494","10.335","","10.335","","10.335","","90","","90","","90","","1103.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Y2 Mo2 O4.5 N2.5","","- Mo2 N2.5 O4.5 Y2 -","- Mo2 N2.49 O4.51 Y2 -","- Mo16 N19.92 O36.08 Y16 -","8","0.0416667","","Martinez-Lope, M.J.; Casais, M.T.; Alonso, J.A.","Synthesis and characterization of the oxynitride Y2 Mo2 O4.5 N2.5 pyrochlore: a neutron diffraction and magnetic study","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","164","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","151328","2020-10-21","18:00:00",""
"7221496","3.85","","3.85","","26.7861","","90","","90","","90","","397.037","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Li1.8 (V O) La2 Ti3 O10","","- La2 O10 Ti3 V -","- La2 O10 Ti3 V -","- La4 O20 Ti6 V2 -","2","0.0625","","Neiner, D.; Sweany, R.L.; Golub, V.; Wiley, J.B.","Structure and properties of mixed valence titanates, (Li(x) V O) La2 Ti3 O10","Journal of Materials Chemistry","2006","16","","186","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221508","13.1865","","17.6364","","8.1742","","90","","90","","90","","1901.01","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","(C H3)2 Au (P (C H3)3)2 Cl O4 (C H2 Cl2)","","- C9 H26 Au Cl3 O4 P2 -","- C9 H26 Au Cl3 O4 P2 -","- C36 H104 Au4 Cl12 O16 P8 -","4","0.25","","Schuster, O.; Schmidbaur, H.","Crystal structure and ligand mobility in solution ofcis-dimethyl-bis(trimethylphosphine)gold(III) complexes","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221509","11.6285","","19.771","","7.6701","","90","","90","","90","","1763.41","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","(C H3)2 Au (P (C H3)3)2 I","","- C8 H24 Au I P2 -","- C8 H24 Au I P2 -","- C32 H96 Au4 I4 P8 -","4","0.25","","Schuster, O.; Schmidbaur, H.","Crystal structure and ligand mobility in solution ofcis-dimethyl-bis(trimethylphosphine)gold(III) complexes","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8000090","20.468","0.004","9.8853","0.0019","20.399","0.004","90","","101.634","0.004","90","","4042.6","1.4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Cl2 Fe N7 S3 -","- C38 H32 Cl4 Fe N6 S2 -","- C152 H128 Cl16 Fe4 N24 S8 -","4","0.5","","Morita, Takaki; Nakashima, Satoru; Yamada, Koji; Inoue, Katsuya","Occurrence of the Spin-crossover Phenomenon of Assembled Complexes, Fe(NCX)2(bpa)2 (X = S, BH3; bpa = 1,2-Bis(4-pyridyl)ethane) by Enclathrating Organic Guest Molecule","Chemistry Letters","2006","35","9","1042","","10.1246/cl.2006.1042","","","0.71073","MoKα","","0.0486","0.0365","","","0.0973","0.1043","","","","","","0.698","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000091","10.587","0.002","20.026","0.004","20.227","0.004","60.323","0.003","89.99","0.004","90.004","0.004","3725.9","1.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H40 B2 Fe N6 -","- C37.5 H34 B2 Fe N6.5 -","- C150 H136 B8 Fe4 N26 -","4","2","","Morita, Takaki; Nakashima, Satoru; Yamada, Koji; Inoue, Katsuya","Occurrence of the Spin-crossover Phenomenon of Assembled Complexes, Fe(NCX)2(bpa)2 (X = S, BH3; bpa = 1,2-Bis(4-pyridyl)ethane) by Enclathrating Organic Guest Molecule","Chemistry Letters","2006","35","9","1042","","10.1246/cl.2006.1042","","","0.71073","MoKα","","0.109","0.0749","","","0.3186","0.3428","","","","","","2.282","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000092","15.13","0.016","36.38","0.03","18.32","0.02","90","","107.12","0.06","90","","9637","17","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[LZn7O(OAc)6] 2EtOAc THF","","","- C90 H114 N6 O30 Zn7 -","- C90 H114 N6 O30 Zn7 -","- C360 H456 N24 O120 Zn28 -","4","1","","Nabeshima, Tatsuya; Miyazaki, Hayato; Iwasaki, Atsushi; Akine, Shigehisa; Saiki, Toshiyuki; Ikeda, Chusaku; Sato, Soichi","Efficient Formation of Homo and Hetero Metal Clusters by Triangular Trisaloph Ligand as a Partial Template","Chemistry Letters","2006","35","9","1070","","10.1246/cl.2006.1070","","","0.71069","MoKα","","0.0973","0.0698","","","0.1673","0.1792","","","","","","1.048","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000093","18.69","0.02","11.868","0.01","14.23","0.01","90","","117.052","0.012","90","","2811","4","193.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H31 B N6 Ru -","- C31 H31 B N6 Ru -","- C124 H124 B4 N24 Ru4 -","4","1","","Saito, Tomoyuki; Kuwata, Shigeki; Ikariya, Takao","Synthesis and Reactivity of Tris(7-azaindolyl)boratoruthenium Complex. Comparison with Poly(methimazolyl)borate Analogue","Chemistry Letters","2006","35","11","1224","","10.1246/cl.2006.1224","","","0.7107","MoKα","","","0.045","","","","0.118","","","","","","1.002","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000094","13.96","0.006","18.284","0.008","22.604","0.01","90","","90","","90","","5770","4","193.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H31 B N6 O Ru -","- C32 H31 B N6 O Ru -","- C256 H248 B8 N48 O8 Ru8 -","8","1","","Saito, Tomoyuki; Kuwata, Shigeki; Ikariya, Takao","Synthesis and Reactivity of Tris(7-azaindolyl)boratoruthenium Complex. Comparison with Poly(methimazolyl)borate Analogue","Chemistry Letters","2006","35","11","1224","","10.1246/cl.2006.1224","","","0.7107","MoKα","","","0.059","","","","0.215","","","","","","1.006","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000095","9.6445","0.0005","9.6445","0.0005","29.651","0.002","90","","90","","90","","2758","0.3","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H32 N8 O12 Re Rh4 -","- C16 H32 N8 O12 Re Rh4 -","- C64 H128 N32 O48 Re4 Rh16 -","4","0.25","","Fuma, Yasuhiro; Ebihara, Masahiro","A Square-sheet Structure of Paddlewheel Dirhodium Complexes in Mixed Oxidation States with Perrhenate Linkers","Chemistry Letters","2006","35","11","1298","","10.1246/cl.2006.1298","","","0.7107","MoKα","","0.0338","0.0297","","","0.0478","0.0486","","","","","","1.312","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000096","9.3648","0.0004","10.9768","0.0004","23.3567","0.0011","80.0636","0.0018","89.1003","0.0016","86.533","0.003","2360.59","0.17","103","2","103","2","","","","","","","","4","P -1","-P 1","2","anthryldiphosphene","9-anthryldiphosphene","","- C41 H68 P2 Si6 -","- C41 H68 P2 Si6 -","- C82 H136 P4 Si12 -","2","1","","Sasamori, Takahiro; Tsurusaki, Akihiro; Nagahora, Noriyoshi; Matsuda, Kazunari; Kanemitsu, Yoshihiko; Watanabe, Yasuaki; Furukawa, Yukio; Tokitoh, Norihiro","Synthesis and Properties of 9-Anthryldiphosphene","Chemistry Letters","2006","35","12","1382","","10.1246/cl.2006.1382","","","0.71069","MoKα","","0.1117","0.0668","","","0.1576","0.1774","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8000097","4.9","0.003","12.473","0.007","16.166","0.01","82.36","0.03","83.2","0.02","78.65","0.02","955.8","1","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C40 H50 N6 O6 -","2","1","","Ishii, Daisuke; Yamada, Takeshi; Iyoda, Tomokazu; Yoshida, Hirohisa; Nakagawa, Masaru","Thermally Reversible Structural Transformation Involving a C‒H···O Hydrogen Bond in a Supramolecular Crystal","Chemistry Letters","2006","35","12","1394","","10.1246/cl.2006.1394","","","0.7107","MoKα","","","0.1575","","","","0.2658","","","","","","3.641","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000098","8.2806","0.0003","10.7885","0.0003","11.9985","0.0004","90","","90","","90","","1071.89","0.06","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 I N2 -","- C8 H15 I N2 -","- C32 H60 I4 N8 -","4","1","","Nakakoshi, Masamichi; Shiro, Motoo; Fujimoto, Takashi; Machinami, Tomoya; Seki, Hiroko; Tashiro, Mitsuru; Nishikawa, Keiko","Crystal Structure of 1-Butyl-3-methylimidazolium Iodide","Chemistry Letters","2006","35","12","1400","","10.1246/cl.2006.1400","","","0.71075","MoKα","","","0.0258","","","","0.0602","","","","","","1.11","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000099","19.5865","0.0005","19.747","0.0007","42.535","0.001","90","","90.973","0.001","90","","16449.1","0.8","273","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H126 Si14 -","- C54 H126 Si14 -","- C432 H1008 Si112 -","8","2","","Kyushin, Soichiro; Ueta, Yoshinori; Tanaka, Ryoji; Matsumoto, Hideyuki","Hexa-, Hepta-, and Octacyclic Ladder Polysilanes","Chemistry Letters","2006","35","2","182","","10.1246/cl.2006.182","","","0.7107","MoKα","","","0.066","","","","0.208","","","","","","2.91","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000100","11.1272","0.0009","20.072","0.001","21.295","0.002","103.002","0.008","103.312","0.008","76.488","0.008","4426","0.6","153","","","","","","","","","","","3","P -1","-P 1","2","","","","- C65 H152 Si16 -","- C65 H152 Si16 -","- C130 H304 Si32 -","2","1","","Kyushin, Soichiro; Ueta, Yoshinori; Tanaka, Ryoji; Matsumoto, Hideyuki","Hexa-, Hepta-, and Octacyclic Ladder Polysilanes","Chemistry Letters","2006","35","2","182","","10.1246/cl.2006.182","","","0.7107","MoKα","","","0.089","","","","0.246","","","","","","1.65","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000101","27.053","0.002","16.1238","0.0008","24.232","0.002","90","","101.628","0.002","90","","10353","1.3","113","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C76 H178 Si18 -","- C76 H178 Si18 -","- C304 H712 Si72 -","4","0.5","","Kyushin, Soichiro; Ueta, Yoshinori; Tanaka, Ryoji; Matsumoto, Hideyuki","Hexa-, Hepta-, and Octacyclic Ladder Polysilanes","Chemistry Letters","2006","35","2","182","","10.1246/cl.2006.182","","","0.7107","MoKα","","","0.045","","","","0.144","","","","","","1.96","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000102","6.556","0.003","7.786","0.004","9.68","0.006","105.91","0.05","104.89","0.05","105.84","0.04","426.7","0.5","90","","","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H11 N3 O3 -","- C7 H11 N3 O3 -","- C14 H22 N6 O6 -","2","1","","Suzuki, Mai; Fujii, Takashi; Nogami, Takashi; Hirano, Takashi; Ishida, Takayuki","Bio-inspired Materials for Electron Donors and Charge-transfer Complex Formation Based on the Imidazopyrazinone Luciferin Core","Chemistry Letters","2006","35","3","250","","10.1246/cl.2006.250","","","0.71069","MoKα","","","0.053","","","","0.095","","","","","","1.454","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000103","6.9023","0.0003","9.6086","0.0005","14.9289","0.0007","90","","92.125","0.003","90","","989.43","0.08","90","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H13 N7 O -","- C24 H13 N7 O -","- C48 H26 N14 O2 -","2","1","","Suzuki, Mai; Fujii, Takashi; Nogami, Takashi; Hirano, Takashi; Ishida, Takayuki","Bio-inspired Materials for Electron Donors and Charge-transfer Complex Formation Based on the Imidazopyrazinone Luciferin Core","Chemistry Letters","2006","35","3","250","","10.1246/cl.2006.250","","","0.71069","MoKα","","","0.043","","","","0.054","","","","","","0.99","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000104","12.751","0.003","16.982","0.003","9.711","0.002","96.01","0.01","104.77","0.02","75.38","0.02","1965.6","0.7","296.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C24 H94 Ag4 Cl8 Co4 N16 O39 S8 -","- C24 H94 Ag4 Cl8 Co4 N16 O39 S8 -","- C24 H94 Ag4 Cl8 Co4 N16 O39 S8 -","1","0.5","","Konno, Takumi; Aridomi, Takashi; Hattori, Masashi; Hirotsu, Masakazu","Novel Aggregation of Bis(thiolato)-type Cobalt(III) Octahedra Assisted by Silver(I) Ions: Structural Interconversion by Counter Anions","Chemistry Letters","2006","35","3","316","","10.1246/cl.2006.316","","","0.7107","MoKα","","","0.054","","","","0.147","","","","","","0.682","","","","has coordinates","210358","2020-10-21","18:00:00",""
"8000105","23.532","0.004","11.907","0.003","14.797","0.003","90","","123.08","0.01","90","","3474","1.3","296.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H42 Ag3 Co2 N13 O16 S4 -","- C12 H40 Ag3 Co2 N13 O16 S4 -","- C48 H160 Ag12 Co8 N52 O64 S16 -","4","0.5","","Konno, Takumi; Aridomi, Takashi; Hattori, Masashi; Hirotsu, Masakazu","Novel Aggregation of Bis(thiolato)-type Cobalt(III) Octahedra Assisted by Silver(I) Ions: Structural Interconversion by Counter Anions","Chemistry Letters","2006","35","3","316","","10.1246/cl.2006.316","","","0.7107","MoKα","","","0.041","","","","0.132","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8000106","7.86","0.0008","9.1687","0.0009","22.544","0.002","98.746","0.002","90.014","0.002","102.169","0.002","1568.8","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H44 Cr N6 S16 Se6 -","- C52 H34 Cr N6 S16 Se6 -","- C52 H34 Cr N6 S16 Se6 -","1","0.5","","Umemiya, Masamichi; Goto, Makoto; Kobayashi, Norihito; Takaishi, Shinya; Kajiwara, Takashi; Yamashita, Masahiro; Miyasaka, Hitoshi; Sugiura, Ken-ichi; Watanabe, Harutaka; Suzuki, Daichi; Ito, Hiroshi; Kuroda, Shin-ichi","New Charge-transfer Salts Based on Unsymmetrical Donor DMET and Metal Complex Anions: (DMET)3[Cr(isoq)2(NCS)4] and (DMET)3[Cr(phen)(NCS)4]·CH3CN","Chemistry Letters","2006","35","4","368","","10.1246/cl.2006.368","","","0.71073","MoKα","","0.0615","0.0401","","","0.0967","0.1106","","","","","","0.994","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000107","21.485","0.002","14.1419","0.0013","20.4642","0.0019","90","","90.256","0.003","90","","6217.8","1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H41 Cr N7 S16 Se6 -","- C48 H41 Cr N7 S16 Se6 -","- C192 H164 Cr4 N28 S64 Se24 -","4","1","","Umemiya, Masamichi; Goto, Makoto; Kobayashi, Norihito; Takaishi, Shinya; Kajiwara, Takashi; Yamashita, Masahiro; Miyasaka, Hitoshi; Sugiura, Ken-ichi; Watanabe, Harutaka; Suzuki, Daichi; Ito, Hiroshi; Kuroda, Shin-ichi","New Charge-transfer Salts Based on Unsymmetrical Donor DMET and Metal Complex Anions: (DMET)3[Cr(isoq)2(NCS)4] and (DMET)3[Cr(phen)(NCS)4]·CH3CN","Chemistry Letters","2006","35","4","368","","10.1246/cl.2006.368","","","0.71073","MoKα","","0.0708","0.0345","","","0.0593","0.0896","","","","","","1.08","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000108","28.8096","0.0017","21.0232","0.0012","24.2712","0.0014","90","","117.194","0.001","90","","13075.4","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H72 Cl3 Mn8 N12 O5.5 S12 -","- C25 H72 Cl2 Mn8 N12 O5.5 S12 -","- C200 H576 Cl16 Mn64 N96 O44 S96 -","8","1","","Shiga, Takuya; Han, Lingqin; Nihei, Masayuki; Hoshino, Norihisa; Ito, Tasuku; Oshio, Hiroki","A Novel Octanuclear Manganese Cluster with [MnII4(μ4-O)] Core","Chemistry Letters","2006","35","4","440","","10.1246/cl.2006.440","","","0.71073","MoKα","","0.0525","0.0358","","","0.1041","0.1128","","","","","","1.077","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000109","11.014","0.009","6.651","0.004","12.73","0.012","90","","97.37","0.04","90","","924.8","1.3","296.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H28 N2 -","- C18 H28 N2 -","- C36 H56 N4 -","2","0.5","","Ohashi, Maki; Maeda, Hajime; Mizuno, Kazuhiko","Catalytic Ability of 9-Cyanophenanthrene in Oxidative Photodimerization of 2,5-Dimethyl-2,4-hexadiene","Chemistry Letters","2006","35","5","482","","10.1246/cl.2006.482","","","0.71075","MoKα","","","0.0703","","","","0.0682","","","","","","3.36","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000110","9.489","0.003","18.998","0.005","17.47","0.005","90","","90","","90","","3149.4","1.6","296","2","296","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C14 H44 Cl3 Co N6 O7 Pt2 S2 -","- C14 H44 Cl3 Co N6 O7 Pt2 S2 -","- C56 H176 Cl12 Co4 N24 O28 Pt8 S8 -","4","0.5","","Igashira-Kamiyama, Asako; Fujioka, Junji; Kodama, Tomoki; Kawamoto, Tatsuya; Konno, Takumi","Anion-controlled Preparation of Chiral S-Bridged CoIIIPtII2 and CoIII2PtII2 Complexes Consisting of [Co(D-penicillaminato-N,O,S)2]− and [Pt(CH3NH2)2]2+ Units","Chemistry Letters","2006","35","5","522","","10.1246/cl.2006.522","","","0.71069","MoKα","","0.0417","0.0352","","","0.0892","0.0928","","","","","","1.093","","","","has coordinates","210358","2020-10-21","18:00:00",""
"8000111","10.8286","0.0016","20.198","0.002","29.719","0.003","90","","90","","90","","6500","1.3","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C24 H72 Cl6 Co2 N8 Na4 O40 Pt2 S4 -","- C24 H72 Cl6 Co2 N8 Na4 O40 Pt2 S4 -","- C96 H288 Cl24 Co8 N32 Na16 O160 Pt8 S16 -","4","1","","Igashira-Kamiyama, Asako; Fujioka, Junji; Kodama, Tomoki; Kawamoto, Tatsuya; Konno, Takumi","Anion-controlled Preparation of Chiral S-Bridged CoIIIPtII2 and CoIII2PtII2 Complexes Consisting of [Co(D-penicillaminato-N,O,S)2]− and [Pt(CH3NH2)2]2+ Units","Chemistry Letters","2006","35","5","522","","10.1246/cl.2006.522","","","0.71075","MoKα","","0.034","0.0297","","","0.058","0.0598","","","","","","1.054","","","","has coordinates,has disorder","210358","2020-10-21","18:00:00",""
"8000112","19.879","0.005","19.879","0.005","22.926","0.012","90","","90","","120","","7846","5","296","2","296","2","","","","","","","","9","P 63","P 6c","173","","","","- C20 H60 Cl4 Co2 N9 Na O22 Pt2 S5 -","- C20 H60 Cl4 Co2 N9 Na1.00333 O22 Pt2 S5 -","- C120 H360 Cl24 Co12 N54 Na6.02 O132 Pt12 S30 -","6","1","","Igashira-Kamiyama, Asako; Fujioka, Junji; Kodama, Tomoki; Kawamoto, Tatsuya; Konno, Takumi","Anion-controlled Preparation of Chiral S-Bridged CoIIIPtII2 and CoIII2PtII2 Complexes Consisting of [Co(D-penicillaminato-N,O,S)2]− and [Pt(CH3NH2)2]2+ Units","Chemistry Letters","2006","35","5","522","","10.1246/cl.2006.522","","","0.71069","MoKα","","0.2822","0.0631","","","0.1309","0.1875","","","","","","0.933","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000113","14.2146","0.001","14.2146","0.001","8.1976","0.0008","90","","90","","120","","1434.5","0.2","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C7 H9 Mn N O5 -","- C7 H9 Mn N O5 -","- C42 H54 Mn6 N6 O30 -","6","1","","Chen, Jinxi; Ohba, Masaaki; Kitagawa, Susumu","Two New Coordination Polymers Based on Hexanuclear Metal Cluster Cores","Chemistry Letters","2006","35","5","526","","10.1246/cl.2006.526","","","0.7107","MoKα","","0.0267","0.0262","","","0.067","0.0675","","","","","","1.134","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000114","16.0568","0.0011","16.0568","0.0011","7.6324","0.001","90","","90","","120","","1704.2","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C8 H9 Br N O5 Zn -","- C8 H9 Br N O5 Zn -","- C48 H54 Br6 N6 O30 Zn6 -","6","1","","Chen, Jinxi; Ohba, Masaaki; Kitagawa, Susumu","Two New Coordination Polymers Based on Hexanuclear Metal Cluster Cores","Chemistry Letters","2006","35","5","526","","10.1246/cl.2006.526","","","0.7107","MoKα","","0.052","0.0461","","","0.1114","0.1153","","","","","","1.159","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000115","8.896","0.003","16.151","0.005","15.829","0.005","90","","100.089","0.004","90","","2239.1","1.2","113.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl N4 Pd S2 -","- C22 H21 Cl N4 Pd S2 -","- C88 H84 Cl4 N16 Pd4 S8 -","4","1","","Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu","Synthesis and Structural Features of a Series of κ3SNS Pincer Complexes of Group 10 Metals σ-Bonded to Centered Pyrrolate Unit","Chemistry Letters","2006","35","6","558","","10.1246/cl.2006.558","","","0.7107","MoKα","","","0.0371","","","","0.0435","","","","","","1.007","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000116","8.606","0.0013","16.319","0.002","15.875","0.002","90","","98.0019","0.0008","90","","2207.8","0.5","113.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl N4 Ni S2 -","- C22 H21 Cl N4 Ni S2 -","- C88 H84 Cl4 N16 Ni4 S8 -","4","1","","Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu","Synthesis and Structural Features of a Series of κ3SNS Pincer Complexes of Group 10 Metals σ-Bonded to Centered Pyrrolate Unit","Chemistry Letters","2006","35","6","558","","10.1246/cl.2006.558","","","0.7107","MoKα","","","0.0275","","","","0.0289","","","","","","1.062","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000117","21.501","0.011","21.501","0.011","7.537","0.004","90","","90","","90","","3484","3","123.1","","","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Cl4 Co2 N16 P -","- C88 H52 Cl4 Co2 N16 P -","- C176 H104 Cl8 Co4 N32 P2 -","2","0.25","","Yu, Derrick Etherbert C.; Imai, Hiroyuki; Ushio, Mamoru; Takeda, Sayaka; Naito, Toshio; Inabe, Tamotsu","One-step Synthesis of Partially Oxidized Cobalt(III) Phthalocyanine Salts with Axial Ligands","Chemistry Letters","2006","35","6","602","","10.1246/cl.2006.602","","","0.71075","MoKα","","","0.0309","","","","0.0869","","","","","","0.986","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000118","21.4119","0.0019","21.4119","0.0019","7.6088","0.0007","90","","90","","90","","3488.4","0.5","123.1","","","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Br4 Co2 N16 P -","- C88 H52 Br4 Co2 N16 P -","- C176 H104 Br8 Co4 N32 P2 -","2","0.25","","Yu, Derrick Etherbert C.; Imai, Hiroyuki; Ushio, Mamoru; Takeda, Sayaka; Naito, Toshio; Inabe, Tamotsu","One-step Synthesis of Partially Oxidized Cobalt(III) Phthalocyanine Salts with Axial Ligands","Chemistry Letters","2006","35","6","602","","10.1246/cl.2006.602","","","0.71075","MoKα","","","0.0481","","","","0.1096","","","","","","1","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000119","12.0194","0.0007","14.5924","0.0013","16.5166","0.0014","98.913","0.004","101.516","0.0013","108.111","0.0009","2623.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","[L2Zn2La(OAc)2](NO3) 2H2O EtOH 1/2hex","","","- C45 H59 La N5 O22 Zn2 -","- C45 H57 La N5 O22 Zn2 -","- C90 H114 La2 N10 O44 Zn4 -","2","1","","Akine, Shigehisa; Taniguchi, Takanori; Nabeshima, Tatsuya","Heterometallic Zn2La and ZnLu Complexes Formed by Site-selective Transmetalation of a Dimeric Homotrinuclear Zinc(II) Complex","Chemistry Letters","2006","35","6","604","","10.1246/cl.2006.604","","","0.71069","MoKα","","0.053","0.0382","","","0.1087","0.1215","","","","","","1.045","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000120","8.314","0.002","11.074","0.003","24.363","0.005","90.775","0.01","48.647","0.011","74.42","0.009","1564.3","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-4-(4-pyridyl)benzoic acid)nickel(II) -bis(μ-thiocyanato-N,N',S,S').(naphthalene)","","- C36 H26 N4 Ni O4 S2 -","- C36 H26 N4 Ni O4 S2 -","- C72 H52 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi; Ogura, Katsuyuki","4-(4-Pyridyl)benzoic Acid (PybenH) Dimer: An Efficient and Reasonable Design for a Long Linear Bidentate Building Block Employed in Metal‒Organic Coordination Framework","Chemistry Letters","2006","35","6","614","","10.1246/cl.2006.614","","x-ray","0.71069","MoKα","","0.1024","0.0501","","","0.0852","0.096","","","","","","0.938","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8000121","8.23","0.002","11.155","0.003","24.355","0.005","90.471","0.011","48.223","0.011","74.567","0.008","1552.9","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-4(4-pyridyl)benzoic acid)nickel(II) -bis(μ-thiocyanato-N,N',S,S').1/2(dibenz[a,h]anthracene)","","- C37 H25 N4 Ni O4 S2 -","- C37 H25 N4 Ni O4 S2 -","- C74 H50 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi; Ogura, Katsuyuki","4-(4-Pyridyl)benzoic Acid (PybenH) Dimer: An Efficient and Reasonable Design for a Long Linear Bidentate Building Block Employed in Metal‒Organic Coordination Framework","Chemistry Letters","2006","35","6","614","","10.1246/cl.2006.614","","x-ray","0.71069","MoKα","","0.0578","0.0388","","","0.0959","0.102","","","","","","1.032","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000122","19.122","0.002","18.499","0.002","7.2538","0.0008","90","","91.424","0.002","90","","2565.2","0.5","291","2","291","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C16 H24 Cu I N2 O4 S -","- C16 H16 Cu I N2 O4 S -","- C64 H64 Cu4 I4 N8 O16 S4 -","4","0.5","","Niu, Yunyin; Song, Yinglin; Wang, Qingli; Guo, Xiaoling; Zhu, Yu; Hou, Hongwei","Synthesis, Crystal Structure, and Optical Limiting Effect of a Cu(I) Coordination Polymeric Cluster Bridged by Chiral-carbon Skeleton Bipyridyl Ligand","Chemistry Letters","2006","35","6","650","","10.1246/cl.2006.650","","","0.71073","MoKα","","0.0511","0.044","","","0.1479","0.1605","","","","","","1.063","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000123","9.244","0.003","11.851","0.003","17.204","0.005","77.653","0.005","84.442","0.008","84.711","0.007","1827.5","0.9","293.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H30 Cl4 N2 O4 P Re -","- C37 H30 Cl4 N2 O4 P Re -","- C74 H60 Cl8 N4 O8 P2 Re2 -","2","1","","Ohashi, Tetuya; Miyashita, Yoshitaro; Fujisawa, Kiyoshi; Okamoto, Ken-ichi","Oxygen Atom Transfer Catalytic Property of Oxorhenium(V) Complex with 2-Methylquinolin-8-ylamide and Tetrachlorocatecholate","Chemistry Letters","2006","35","6","664","","10.1246/cl.2006.664","","","0.71069","MoKα","","","0.034","","","","0.099","","","","","","0.955","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000124","17.46","0.005","20.74","0.005","14.71","0.004","90","","110.16","0.004","90","","5000","2","93.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 B10 F12 Mn N4 O8 -","- C38 H44 B10 F12 Mn N4 O8 -","- C152 H176 B40 F48 Mn4 N16 O32 -","4","0.5","","Iwahori, Fumiyasu; Matsumura, Kazunari; Yamashita, Masahiro; Abe, Jiro","Synthesis, Structure, and Magnetic Property of Manganese(II) Complex of 1,2-closo-Carboranyl Biradical with S = 3/2 Ground State","Chemistry Letters","2006","35","1","68","","10.1246/cl.2006.68","","","0.7107","MoKα","","","0.0589","","","","0.131","","","","","","1.321","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000125","13.7251","0.0014","18.1828","0.0016","20.7849","0.0016","109.059","0.004","98.172","0.005","94.173","0.004","4813.4","0.8","90","","90","","","","","","","","","8","P -1","-P 1","2","","","","- C88 H73 Cl3 F9 La N6 O20 S3 -","- C88 H73 Cl3 F9 La N6 O20 S3 -","- C176 H146 Cl6 F18 La2 N12 O40 S6 -","2","1","","Tominaga, Masahide; Masu, Hyuma; Yamaguchi, Kentaro; Azumaya, Isao","Construction and Structural Investigation of Helical Coordination Network Formed by the Self-assembly of Triple Helicate with Macrocyclic Framework and Lanthanum Cations","Chemistry Letters","2006","35","7","718","","10.1246/cl.2006.718","","","0.71073","MoKα","","0.1457","0.0835","","","0.2067","0.2356","","","","","","0.986","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000126","7.1817","0.0015","7.7763","0.0014","12.0743","0.0015","106.954","0.005","95.431","0.007","96.397","0.011","635.23","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C30 H32 O8 -","2","1","","Hamura, Toshiyuki; Kawano, Nobuyuki; Matsumoto, Takashi; Suzuki, Keisuke","Peri-selectivity in Thermolysis of Acyloxybenzocyclobutenes Possessing α,β-Unsaturated Carbonyl Group: Synthesis of 2-Benzoxocin Derivatives","Chemistry Letters","2006","35","7","730","","10.1246/cl.2006.730","","","0.71073","MoKα","","0.0578","0.0555","","","0.1436","0.1462","","","","","","1.085","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000127","7.7254","0.0006","13.6383","0.001","8.3111","0.0006","90","","99.296","0.002","90","","864.17","0.11","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 O2 Pd -","- C20 H14 N4 O2 Pd -","- C40 H28 N8 O4 Pd2 -","2","0.5","","Ono, Yuki; Furuta, Hiroyuki","2-Picolinoylpyrrole: A New Entry to Metal-complexing Agent","Chemistry Letters","2006","35","7","750","","10.1246/cl.2006.750","","","0.7107","MoKα","","","0.035","","","","0.035","","","","","","0.966","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000128","5.9609","0.0004","13.1442","0.0008","10.6141","0.0007","90","","95.812","0.001","90","","827.35","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","","Ono, Yuki; Furuta, Hiroyuki","2-Picolinoylpyrrole: A New Entry to Metal-complexing Agent","Chemistry Letters","2006","35","7","750","","10.1246/cl.2006.750","","","0.71073","MoKα","","0.0348","0.0327","","","0.0861","0.0882","","","","","","1.06","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000129","7.7125","0.0009","13.6338","0.0015","8.2954","0.0009","90","","99.353","0.002","90","","860.67","0.17","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 O2 Pt -","- C20 H14 N4 O2 Pt -","- C40 H28 N8 O4 Pt2 -","2","0.5","","Ono, Yuki; Furuta, Hiroyuki","2-Picolinoylpyrrole: A New Entry to Metal-complexing Agent","Chemistry Letters","2006","35","7","750","","10.1246/cl.2006.750","","","0.71073","MoKα","","0.044","0.0264","","","0.0628","0.0689","","","","","","1.036","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000130","10.471","0.003","7.363","0.001","14.136","0.003","90","","104.22","0.008","90","","1056.5","0.4","223.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N2 O -","- C25 H28 N2 O -","- C50 H56 N4 O2 -","2","1","","Watabe, Tsuyoshi; Yoshikawa, Daisuke; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Supramolecular Chirality and Isomerism in Cinchonidine Crystals: Hierarchical Analysis on the Basis of the Asymmetric 21 Helical Columnar Assembly","Chemistry Letters","2006","35","7","806","","10.1246/cl.2006.806","","","1.5418","CuKα","","","0.0931","","","","0.2609","","","","","","1.207","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000131","12.56","0.0008","13.829","0.001","17.45","0.0017","104.025","0.005","102.67","0.005","112.854","0.004","2537.7","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 Ge2 P2 Pt -","- C58 H64 Ge2 P2 Pt -","- C116 H128 Ge4 P4 Pt2 -","2","1","","Usui, Yoko; Fukushima, Takashi; Nanjo, Masato; Mochida, Kunio; Akasaka, Kuniyoshi; Kudo, Takako; Komiya, Sanshiro","Synthesis and Kaleidoscopic Reactivities of Bis(tritolylgermyl)bis(dimethylphenylphosphine)platinum(II)","Chemistry Letters","2006","35","7","810","","10.1246/cl.2006.810","","","0.71073","MoKα","","0.0812","0.0545","","","0.1349","0.1526","","","","","","0.99","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000132","10.403","0.0002","12.717","0.0004","16.821","0.0006","80.411","0.002","79.01","0.002","87.075","0.002","2153.57","0.11","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H54 Ge P2 Pt -","- C49 H42 Ge P2 Pt -","- C98 H84 Ge2 P4 Pt2 -","2","1","","Usui, Yoko; Fukushima, Takashi; Nanjo, Masato; Mochida, Kunio; Akasaka, Kuniyoshi; Kudo, Takako; Komiya, Sanshiro","Synthesis and Kaleidoscopic Reactivities of Bis(tritolylgermyl)bis(dimethylphenylphosphine)platinum(II)","Chemistry Letters","2006","35","7","810","","10.1246/cl.2006.810","","","0.71073","MoKα","","0.05","0.0481","","","0.1531","0.1562","","","","","","1.369","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000133","7.821","0.001","11.178","0.002","17.083","0.003","72.91","0.02","89.72","0.02","76.71","0.02","1386.1","0.4","213.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Br2 N2 O6 -","- C28 H22 Br2 N2 O6 -","- C56 H44 Br4 N4 O12 -","2","1","","Itoh, Takahito; Tachino, Kyoko; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Topochemical Reaction of 7-Bromoethoxycarbonyl-7-cyano-1,4-benzoquinone Methide in the Solid State","Chemistry Letters","2006","35","8","918","","10.1246/cl.2006.918","","","1.5419","CuKα","","","0.0782","","","","0.2283","","","","","","1.91","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000134","4.108","0.001","11.388","0.002","11.496","0.002","93.34","0.02","94.58","0.02","90.96","0.02","535.05","0.19","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N O3 -","- C11 H8 Br N O3 -","- C22 H16 Br2 N2 O6 -","2","1","","Itoh, Takahito; Tachino, Kyoko; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Topochemical Reaction of 7-Bromoethoxycarbonyl-7-cyano-1,4-benzoquinone Methide in the Solid State","Chemistry Letters","2006","35","8","918","","10.1246/cl.2006.918","","","1.5419","CuKα","","","0.0669","","","","0.2127","","","","","","1.897","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000135","10.88","0.02","11.03","0.03","21.97","0.07","90","","101.98","0.05","90","","2579","12","123.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F12 O8 Pd2 -","- C20 H14 F12 O8 Pd2 -","- C80 H56 F48 O32 Pd8 -","4","1","","Fukuda, Yutaka; Sakumoto, Maiko; Tanabe, Yoshiaki; Ishii, Youichi; Suzuki, Wakako; Nakao, Akiko","Observation of the New κ2C,O:κ2C′,O′ Coordination Mode of 1,1,2,2-Tetraacetylethanato Ligand in a Dinuclear 1,1,1,5,5,5-Hexafluoroacetylacetonato Palladium(II) Complex","Chemistry Letters","2006","35","8","936","","10.1246/cl.2006.936","","","0.7107","MoKα","","","0.066","","","","0.072","","","","","","1","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000136","9.692","0.003","12.86","0.005","20.454","0.006","102.36","0.01","92.912","0.009","95.12","0.01","2473.9","1.4","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C116 H140 N4 O6 Zn -","- C116 H140 N4 O6 Zn -","- C116 H140 N4 O6 Zn -","1","0.5","","Ikeda, Toshiaki; Tsuda, Akihiko; Aratani, Naoki; Osuka, Atsuhiro","Synthesis and Characterization of Facially Encumbered and Soluble Porphyrin Tapes","Chemistry Letters","2006","35","8","946","","10.1246/cl.2006.946","","","0.7107","MoKα","","","0.097","","","","0.25","","","","","","1.036","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101788","33.562","0.007","12.22","0.002","18.849","0.004","90","","117.7","0.03","90","","6845","3","273.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H49 Cl4 I N6 Ni3 O -","- C18 H49 Cl4 I N6 Ni3 O -","- C144 H392 Cl32 I8 N48 Ni24 O8 -","8","1","","Miyamoto, K.; Koizumi, R.; Horn, E.; Fukuda, Y.","Crystal structure of μ~3~-chloro- μ~3~-hydroxo-tris (μ-chloro)tris(tetramethylethylenediamine)trinickel(II) iodide, [Ni~3~(C~6~H~16~N~2~)~3~Cl~4~(OH)]I","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","123","125","","","","0.7107","MoKα","","","0.0594","","","","0.0655","","","","","","0.182","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101857","9.7988","0.0013","11.8583","0.0015","14.6273","0.0019","111.031","0.002","99.468","0.002","102.265","0.002","1495.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(1,10-phenanthroline-N,N')bis(4-fluorobenzoato-O,O')tetrakis(μ-4- fluorobenzoato-O,O')dineodymium (III)","","- C66 H40 F6 N4 Nd2 O12 -","- C66 H40 F6 N4 Nd2 O12 -","- C66 H40 F6 N4 Nd2 O12 -","1","0.5","","Li, X.","Crystal structure of bis(1,10-phenanthroline-N,N')bis(4-fluorobenzoato- O,O')tetrakis(μ-4-fluorobenzoato-O,O')-dineodymium(III), Nd~2~ (C~6~H~4~FCOO)~6~(C~12~H~8~N~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","5","6","","","","0.71073","MoKα","","0.0339","0.0258","","","0.0608","0.0653","","","","","","1.084","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101881","9.9152","0.0013","11.7752","0.0014","14.7754","0.0018","106.704","0.002","107.835","0.002","101.476","0.002","1492.9","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","bis(4-fluorobenzoato-O,O')tetrakis(μ-4-fluorobenzoato-O,O')bis(1,10- phenanthroline-N,N')didysprosium(III)","","- C66 H40 Dy2 F6 N4 O12 -","- C66 H40 Dy2 F6 N4 O12 -","- C66 H40 Dy2 F6 N4 O12 -","1","0.5","","Ju, Y.-L.; Li, X.; Zhang, T.-T.","Crystal structure of bis(1,10-phenanthroline-N,N')bis(4-fluorobenzoato- O,O')tetrakis(μ-4-fluorobenzoato-O,O')-didysprosium(III), Dy~2~ (C~6~H~4~FCOO)~6~(C~12~H~8~N~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","7","8","","","","0.71073","MoKα","","0.0377","0.0294","","","0.0681","0.0735","","","","","","1.042","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101882","27.523","0.003","15.6987","0.0015","16.0479","0.0015","90","","101.123","0.002","90","","6803.7","1.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(1,10-phenanthroline)bis(2,4-dimethylbenzoato)tetrakis(μ-2,4- dimethylbenzoato-O,O')disamarium(III)","","- C78 H70 N4 O12 Sm2 -","- C78 H70 N4 O12 Sm2 -","- C312 H280 N16 O48 Sm8 -","4","0.5","","Zhang, T.-T.; Li, X.; Ju, Y.-L.","Crystal structure of bis(1,10-phenanthroline-N,N')bis(2,4-dimethylbenzoato- O,O')tetrakis(μ-2,4-dimethylbenzoato-O,O')disamarium(III), Sm~2~(C~9~H~9~O~2~)~6~(C~12~H~8~N~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","9","11","","","","0.71073","MoKα","","0.0425","0.0259","","","0.0564","0.0626","","","","","","1.087","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101883","14.325","0.003","11.85","0.002","19.459","0.004","90","","102.978","0.005","90","","3218.8","1.1","173","","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3S,4'S,6'S-2-benzyl-3-[(tert-butyldimethylsiloxy)-(2',2'-dimethyl-1,3-dioxolan- 4'-yl)-6'-methyl]-4-[2-(trimethylsilyl)ethoxy]-3.6-dihydro-2H-1,2-oxazine","","- C28 H49 N O5 Si2 -","- C28 H49 N O5 Si2 -","- C112 H196 N4 O20 Si8 -","4","2","","Al-Harrasi, A.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of 3S,4'S,6'S-2-benzyl-3-[(tert-butyl-dimethyl-siloxy)- (2',2'-dimethyl-1,3-dioxolan-4'-yl)-6'-methyl]-4-[2-(trimethylsilyl) ethoxy]-3.6-dihydro-2H-1,2-oxazine, C~28~H~49~NO~5~Si~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","12","14","","","","0.71073","MoKα","","0.0946","0.0456","","","0.088","0.103","","","","","","0.884","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101884","10.5288","0.0018","8.1518","0.0014","16.554","0.003","90","","98.015","0.004","90","","1406.9","0.4","173","","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3S,4S,5R,6S,7R-5-amino-6-(tert-butyldimethylsiloxy)-7-(tert- butyldimethylsiloxymethyl)-3-hydroxymethyl-2,2-dimethyloxepan-4-ol","","- C22 H49 N O5 Si2 -","- C22 H49 N O5 Si2 -","- C44 H98 N2 O10 Si4 -","2","1","","Al-Harrasi, A.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of 3R,4S,5R,6S,7R-5-amino-6-(tert-butyldimethylsiloxy)- 7-(tert-butyldimethylsiloxymethyl)-3-hydroxymethyl-2,2-dimethyloxepan- 4-ol, C~22~H~49~NO~5~Si~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","131","132","","","","0.71073","MoKα","","0.086","0.0664","","","0.1696","0.1879","","","","","","1.032","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101895","9.997","0.002","12.046","0.002","15.635","0.003","90.84","0.03","105.18","0.03","93.43","0.03","1813","0.6","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(2-methyl-4,5-diphenylimidazo[1,5-b]pyridazin-7-yl)-1,3-diaminopropane ethanol solvate","","- C43 H42 N8 O -","- C43 H42 N8 O -","- C86 H84 N16 O2 -","2","1","","Irrgang, T.; Karthikeyan, S.; Balireddi, S.; Kempe, R.","Crystal structure of N,N'-bis(2-methyl-4,5-diphenyl-imidazo[1,5-b] pyridazin-7-yl)-1,3-diaminopropane ethanol solvate, C~32~H~6~(NH)~2~ (C~19~H~14~N~3~)~2~ · C~2~H~5~OH","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","20","22","","","","0.71073","MoKα","","0.1957","0.0703","","","0.1318","0.1655","","","","","","0.855","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101898","14.004","0.003","9.1644","0.0018","13.468","0.003","90","","109.3","0.03","90","","1631.3","0.7","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2-methyl-4-phenyl-5-tert-butylimidazo[1,5-b]pyridazin- 7-yl)ethylenediamine","","- C36 H42 N8 -","- C36 H42 N8 -","- C72 H84 N16 -","2","0.5","","Irrgang, T.; Balireddi, S.; Karthikeyan, S.; Kempe, R.","Crystal structure of N,N'-bis(2-methyl-4-phenyl-5-tert-butylimidazo [1,5-b]pyridazin-7-yl)ethylenediamine, C~2~H~4~(NH)~2~(C~17~H~18~N~3~) ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","23","24","","","","0.71073","MoKα","","0.0899","0.0601","","","0.1463","0.158","","","","","","1.105","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101899","7.481","0.004","16.759","0.009","8.621","0.005","90","","101.555","0.008","90","","1058.9","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,6-bis(1-phenyl-1H-tetrazol-5-ylthio)hexane","","- C20 H22 N8 S2 -","- C20 H22 N8 S2 -","- C40 H44 N16 S4 -","2","0.5","","He, D.-P.; Dou, Y.-L.; She, J.-B.","Crystal structure of 1,6-bis(1-phenyl-1H-tetrazol-5-ylthio)hexane, C~6~H~12~(SCN~4~C~6~H~5~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","25","26","","","","0.71073","MoKα","","0.0578","0.0383","","","0.0864","0.096","","","","","","0.998","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101900","20.286","0.004","14.598","0.003","10.0065","0.0019","90","","104.964","0.003","90","","2862.8","1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","bis(N-ethylpyridinium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)mercurate(II)","","- C20 H20 Hg N2 S10 -","- C20 H20 Hg N2 S10 -","- C80 H80 Hg4 N8 S40 -","4","0.5","","Wang, Y.-L.; Yu, W.-T.; Xu, D.; Wang, X.-Q.; Guo, W.-F.; Zhang, G.-H.","Crystal structure of bis(N-ethylpyridinium) bis(2-thioxo-1,3-dithiole- 4,5-dithiolato)mercurate(II), (C~7~H~10~N)~2~[Hg(C~3~S~5~)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","27","28","","","","0.71073","MoKα","","0.0401","0.0338","","","0.0864","0.0906","","","","","","1.024","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101901","15.075","0.002","17.683","0.003","6.099","0.001","90","","100.43","0.01","90","","1599","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-methoxy-nitrophenone N-(2,4-dinitrophenyl)hydrazone","","- C14 H11 N5 O7 -","- C14 H11 N5 O7 -","- C56 H44 N20 O28 -","4","1","","Zhao, L.-F.","Crystal structure of (E)-4-methoxy-nitrophenone N-(2,4-dinitrophenyl) hydrazone, C~14~H~11~N~5~O~7~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","29","30","","","","0.71073","MoKα","","0.0983","0.0545","","","0.1587","0.1745","","","","","","0.993","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101902","11.2953","0.0014","11.2551","0.0014","11.7971","0.0014","108.904","0.002","101.091","0.002","110.992","0.002","1241.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","tetra(3-5-dimethoxyphenyl)porphyrin methylen chloride disolvate","","- C53.93 H49.86 Cl3.86 N4 O8 -","- C53.932 H49.864 Cl3.864 N4 O8 -","- C53.932 H49.864 Cl3.864 N4 O8 -","1","0.5","","Zeller, M.; DiMuzio, S. J.; Bee, K.; Clemente, J.; Frederick, J.; Fucci, A.; Gordon, L.; Harper, A.; Kasmar, A.; Kasmar, C.; Polomsky, S.; Simmons, A.; Smallsreed, D.; Underwood, T.; Hunter, A. D.","Crystal structures of the methylene chloride disolvates of tetrakis (3,5-dimethoxyphenyl)porphyrin and its isotypic copper(II) and nickel(II) complexes, C~52~H~46~N~4~O~8~ · ~2~CH~2~Cl~2~, Cu(C~52~H~44~N~4~O~8~) · ~2~CH~2~Cl~2~, Ni(C~52~H~44~N~4~O~8~) · ~2~CH~2~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","15","19","","","","0.71073","MoKα","","0.0612","0.0564","","","0.1325","0.1354","","","","","","1.139","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101903","11.2204","0.0005","11.3499","0.0006","11.761","0.0006","109.187","0.001","100.83","0.001","110.681","0.001","1242.64","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","tetrakis(3,5-dimethoxyphenyl)porphyrin-copper(II) methylene chloride disolvate","","- C53.94 H47.87 Cl3.87 Cu N4 O8 -","- C53.936 H47.872 Cl3.872 Cu N4 O8 -","- C53.936 H47.872 Cl3.872 Cu N4 O8 -","1","0.5","","Zeller, M.; DiMuzio, S. J.; Bee, K.; Clemente, J.; Frederick, J.; Fucci, A.; Gordon, L.; Harper, A.; Kasmar, A.; Kasmar, C.; Polomsky, S.; Simmons, A.; Smallsreed, D.; Underwood, T.; Hunter, A. D.","Crystal structures of the methylene chloride disolvates of tetrakis (3,5-dimethoxyphenyl)porphyrin and its isotypic copper(II) and nickel(II) complexes, C~52~H~46~N~4~O~8~ · ~2~CH~2~Cl~2~, Cu(C~52~H~44~N~4~O~8~) · ~2~CH~2~Cl~2~, Ni(C~52~H~44~N~4~O~8~) · ~2~CH~2~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","15","19","","","","0.71073","MoKα","","0.0329","0.0325","","","0.0919","0.0924","","","","","","1.052","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8101904","11.1964","0.0013","11.3288","0.0014","11.7848","0.0014","109.486","0.002","101.23","0.002","110.607","0.002","1233.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","tetrakis(3,5-dimethoxyphenyl)porphyrin-nickel(II) methylene chloride disolvate","","- C53.96 H47.92 Cl3.92 N4 Ni O8 -","- C53.958 H47.916 Cl3.916 N4 Ni O8 -","- C53.958 H47.916 Cl3.916 N4 Ni O8 -","1","0.5","","Zeller, M.; DiMuzio, S. J.; Bee, K.; Clemente, J.; Frederick, J.; Fucci, A.; Gordon, L.; Harper, A.; Kasmar, A.; Kasmar, C.; Polomsky, S.; Simmons, A.; Smallsreed, D.; Underwood, T.; Hunter, A. D.","Crystal structures of the methylene chloride disolvates of tetrakis (3,5-dimethoxyphenyl)porphyrin and its isotypic copper(II) and nickel(II) complexes, C~52~H~46~N~4~O~8~ · ~2~CH~2~Cl~2~, Cu(C~52~H~44~N~4~O~8~) · ~2~CH~2~Cl~2~, Ni(C~52~H~44~N~4~O~8~) · ~2~CH~2~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","15","19","","","","0.71073","MoKα","","0.042","0.0396","","","0.1074","0.1096","","","","","","1.057","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101905","12.9147","0.0008","9.1615","0.0006","8.2474","0.0005","90","","98.49","0.005","90","","965.12","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(3-hydroyxpyridine)copper(II) oxalate monohydrate","poly-[(3-hydroyxpyridine)oxalatocopper(II)] monohydrate","","- C7 H7 Cu N O6 -","- C7 H7 Cu N O6 -","- C28 H28 Cu4 N4 O24 -","4","1","","Wiehl, L.; Schreuer, J.; Haussühl, E.","Crystal structure of poly-[(3-hydroyxpyridine)oxalato-copper(II)] monohydrate, Cu(NC~5~H~4~OH)(COO)~2~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","35","36","","","","0.71073","MoKα","","0.0417","0.0312","","","0.0749","0.0789","","","","","","1.07","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101906","10.2065","0.0013","4.5723","0.0006","22.76","0.003","90","","112.007","0.005","90","","984.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2(R)-(5-fluorouracil-1-yl)acetylglycin","2-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine)glycin","","- C8 H8 F N3 O5 -","- C8 H8 F N3 O5 -","- C32 H32 F4 N12 O20 -","4","1","","Xiong, J.; Lei, X.-X.; Hu, M.-L.; Yuan, J.-X.; Cai, X.-Q.","Crystal structure of 2-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine) glycin, C~8~H~8~FN~3~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","37","38","","","","0.71073","MoKα","","0.0825","0.0678","","","0.1334","0.1397","","","","","","1.242","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101907","5.2042","0.0005","21.778","0.002","16.932","0.0017","90","","101.165","0.002","90","","1882.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2(R)-(5-fluorouracil-1-yl)acetyl-2-phenylglycin dimethylformamide monosolvate","","- C17 H19 F N4 O6 -","- C17 H19 F N4 O6 -","- C68 H76 F4 N16 O24 -","4","1","","Hu, M.-L.; Yin, P.; Xiong, J.; Yuan, J.-X.","Crystal structure of 2(R)-(5-fluorouracil-1-yl)acetyl-2-phenylglycin dimethylformamide solvate, C~14~H~12~FN~3~O~5~ · C~3~H~7~NO","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","39","40","","","","0.71073","MoKα","","0.0974","0.0675","","","0.1817","0.1984","","","","","","1.239","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101908","9.492","0.0013","9.6398","0.0013","10.4285","0.0013","102.1","0.002","108.657","0.002","92.652","0.002","877.3","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","trans-bis(triphenylphospine oxide)tetrachlorotitanum(IV)","","- C36 H30 Cl4 O2 P2 Ti -","- C36 H30 Cl4 O2 P2 Ti -","- C36 H30 Cl4 O2 P2 Ti -","1","0.5","","Li, M.-F.; Shan, Y.-K.","Crystal structure of trans-bis(triphenylphospine oxide)-tetrachlorotitanum (IV), TiCl~4~[(C~6~H~5~)~3~PO]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","41","42","","","","0.71073","MoKα","","0.0846","0.0426","","","0.0914","0.106","","","","","","1.031","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101909","14.1019","0.0017","14.5952","0.0014","5.5101","0.0005","90","","92.309","0.009","90","","1133.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-chlorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone","","- C11 H9 Cl N2 O S -","- C11 H9 Cl N2 O S -","- C44 H36 Cl4 N8 O4 S4 -","4","1","","Frey, W.; Haug, E.; Kantlehner, W.","Crystal structure of 1-(4-chlorophenyl)-2-(5-methyl-1,3,4-thiadiazol- 2-yl)ethanone, C~11~H~9~ClN~2~OS","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","43","44","","","","1.54178","CuKα","","0.108","0.0845","","","0.2155","0.2472","","","","","","1.012","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101910","8.989","0.009","9.709","0.003","12.22","0.01","112.94","0.05","92.84","0.07","110.61","0.08","897.5","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis[acetato-O,O']bis(μ-acetato-O,O')bis(κN^3^-antipyrine-O]dioxouranium","","- C30 H36 N4 O14 U2 -","- C30 H36 N4 O14 U2 -","- C30 H36 N4 O14 U2 -","1","0.5","","Bekaert, A.; Lemoine, P.; Brion, J. D.; Viossat, B.","Crystal structure of bis(acetato-O,O')bis(μ-acetato-O,O')bis (k^3^N-antipyrine-O]tetraoxodiuranium, U~2~O~4~(CH~3~COO)~4~[C~6~H~5~N~2~C~3~ (CH~3~)~2~HO]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","45","46","","","","0.71073","MoKα","","0.0494","0.0429","","","0.1176","0.1202","","","","","","1.045","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101911","10.1064","0.001","11.5006","0.0011","22.425","0.002","90","","90","","90","","2606.5","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R-1,1'-bi-2-naphthol 1,3-bis(pyrid-4-yl)propane","","- C33 H28 N2 O2 -","- C33 H28 N2 O2 -","- C132 H112 N8 O8 -","4","1","","Ma, Z.-C.","Crystal structure of (R)-1,1'-bi-2-naphthol 1,3-bis(pyrid-4-yl)propane, C~20~H~14~O~2~ · C~13~H~14~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","65","67","","","","0.71073","MoKα","","0.0769","0.062","","","0.1174","0.1236","","","","","","1.133","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101912","7.1902","0.0005","12.7155","0.0009","21.7528","0.0016","90","","96.405","0.001","90","","1976.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2,2'-biimidazol-1-ium) tetrachloroferrate(III) chloride","","- C12 H14 Cl5 Fe N8 -","- C12 H14 Cl5 Fe N8 -","- C48 H56 Cl20 Fe4 N32 -","4","1","","Hu, M.-L.; Chen, F.","Crystal structure of bis(2,2'-biimidazol-1-ium) tetra-chloroferrate (III) chloride, (C~6~H~7~N~4~)~2~[FeCl~4~]Cl","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","47","48","","","","0.71073","MoKα","","0.0979","0.085","","","0.16","0.1656","","","","","","1.323","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101913","6.3952","0.0002","11.1267","0.0003","12.0785","0.0004","90","","97.274","0.002","90","","852.56","0.05","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-(2-bromoethyl)-2-methyl-5-nitroimidazol","","- C6 H8 Br N3 O2 -","- C6 H8 Br N3 O2 -","- C24 H32 Br4 N12 O8 -","4","1","","Balliano, T. L.; Pereira, M. A.; De Simone, C. A.; Malta, V. R. S.; Velasquez, N.; Cioletti, A. G.; Goulart, M. O. F.","Crystal structure of 1-(2-bromoethyl)-2-methyl-5-nitroimidazole, C~6~H~8~BrN~3~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","49","50","","","","0.71073","MoKα","","0.0541","0.0466","","","0.1222","0.1281","","","","","","1.083","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101914","10.3207","0.0012","13.5029","0.0017","17.39","0.002","90","","93.95","0.002","90","","2417.7","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methanol-[N,N'-o-phenylenebis(salicylaldiminato-N,N',O,O')](salicylaldehydato- O)manganese(III)","","- C28 H23 Mn N2 O5 -","- C28 H23 Mn N2 O5 -","- C112 H92 Mn4 N8 O20 -","4","1","","Wang, C.; Hou, Y.-Q.; Li, J.; Zhang, F.-X.","Crystal structure of methanol[N,N'-o-phenylenebis(salicyl-aldiminato- N,N',O,O')](salicylaldehydato-O)manganese(III), Mn(CH~3~OH)(C~6~H~4~OCHO) [C~6~H~4~(C~6~H~4~OCHN)~2~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","51","52","","","","0.71073","MoKα","","0.0623","0.0383","","","0.0956","0.103","","","","","","1.054","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101915","7.737","0.002","10.131","0.002","20.229","0.003","90","","90","","90","","1585.6","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","dichloro((N-(N',N'-dimethylammonio)ethyl)-2,4-dichlorosalicylaldiminato- N,O)copper(II)","","- C11 H14 Cl4 Cu N2 O -","- C11 H14 Cl4 Cu N2 O -","- C44 H56 Cl16 Cu4 N8 O4 -","4","1","","Ma, J.-Y.; Wu, T.-X.; She, X.-G.; Pan, X.-F.","Crystal structure of dichloro((N-(N',N'-dimethylammonio)-ethyl)-2, 4-dichlorosalicylaldiminato-N,O)copper(II), Cu(C~11~H~14~Cl~2~N~2~O) Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","53","54","","","","0.71073","MoKα","","0.0678","0.0402","","","0.0716","0.0793","","","","","","1.036","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101916","9.806","0.005","10.298","0.005","18.66","0.005","85.925","0.005","79.413","0.005","73.551","0.005","1776.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","hexadecyltrimethylammonium bis(1,3-dithiole-2-thione-4,5-dithiolato)aurate(III)","","- C25 H42 Au N S10 -","- C25 H42 Au N S10 -","- C50 H84 Au2 N2 S20 -","2","1","","Li, T.-B.; Xu, D.; Yu, W.-T.; Zhang, G.-H.; Wang, X.-Q.","Crystal structure of hexadecyltrimethylammonium bis(1,3-dithiole-2- thione-4,5-dithiolato)aurate(III), [C~16~H~33~(CH~3~)~3~N][Au(C~3~S~5~) ~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","55","56","","","","0.71069","MoKα","","0.0893","0.061","","","0.1462","0.164","","","","","","1.016","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101917","4.9363","0.0005","17.0558","0.0018","9.494","0.0008","90","","114.466","0.004","90","","727.55","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-fluoro-1-(carboxymethyl)uracil","","- C6 H5 F N2 O4 -","- C6 H5 F N2 O4 -","- C24 H20 F4 N8 O16 -","4","1","","Zhang, L.-J.; Ding, J.-C.; Wu, H.-Y.; Liu, M.-C.","Crystal structure of 5-fluoro-1-(carboxymethyl)uracil, C~6~H~5~FN~2~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","57","58","","","","0.71073","MoKα","","0.0496","0.0441","","","0.1051","0.1088","","","","","","1.105","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101918","8.3322","0.0018","11.336","0.002","11.087","0.002","90","","102.43","0.003","90","","1022.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetraaquabis(4-nitropyridine N-oxide-O)nickel(II) dinitrate","","- C10 H16 N6 Ni O16 -","- C10 H16 N6 Ni O16 -","- C20 H32 N12 Ni2 O32 -","2","0.5","","Zhao, M.-G.","Crystal structure of tetraaquabis(4-nitropyridine N-oxide-O)-nickel (II) dinitrate, [Ni(H~2~O)~4~(ONC~5~H~4~NO~2~)~2~][NO~3~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","61","62","","","","0.71073","MoKα","","0.0482","0.0422","","","0.0924","0.0953","","","","","","1.136","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101919","25.296","0.002","25.021","0.002","11.51","0.0012","90","","90","","90","","7285","1.1","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tetrabutylammonium bis(phthalocyaninato)terbium(III) methanol solvate hydrate (1:1:1:7.5)","","- C81 H75 N17 O2.5 Tb -","- C81 H72 N17 O Tb -","- C324 H288 N68 O4 Tb4 -","4","1","","Loosli, C.; Liu, S.-X.; Neels, A.; Labat, G.; Decurtins, S.","Crystal structures of tetrabutylammonium bis(phthalocyaninato)terbium(III) methanol solvate hydrate (1:1:3/2), [N(C~4~H~9~)~4~][Tb(C~8~H~4~N~2~)~2~] · CH~3~OH · 3/2 H~2~O, and tetrabutylammonium bis(phthalocyaninato)dysprosium(III) methanol solvate hydrate (1:1:1), [N(C~4~H~9~)~4~][Dy(C~8~H~4~N~2~)~2~] · CH~3~OH · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","135","141","","","","0.71073","MoKα","","0.0572","0.0518","","","0.1446","0.1489","","","","","","1.044","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8101920","25.2158","0.0018","25.0394","0.0015","11.4858","0.0007","90","","90","","90","","7252","0.8","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tetrabutylammonium bis(phthalocyaninato)dyprosium(III) methanol solvate tetrahydrate","","- C81 H74 Dy N17 O2 -","- C81 H72 Dy N17 O -","- C324 H288 Dy4 N68 O4 -","4","1","","Loosli, C.; Liu, S.-X.; Neels, A.; Labat, G.; Decurtins, S.","Crystal structures of tetrabutylammonium bis(phthalocyaninato)terbium(III) methanol solvate hydrate (1:1:3/2), [N(C~4~H~9~)~4~][Tb(C~8~H~4~N~2~)~2~] · CH~3~OH · 3/2 H~2~O, and tetrabutylammonium bis(phthalocyaninato)dysprosium(III) methanol solvate hydrate (1:1:1), [N(C~4~H~9~)~4~][Dy(C~8~H~4~N~2~)~2~] · CH~3~OH · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","135","141","","","","0.71073","MoKα","","0.1489","0.0523","","","0.0737","0.09","","","","","","0.734","","","","has coordinates,has disorder","211154","2020-10-21","18:00:00",""
"8101921","9.5418","0.0011","7.2415","0.0009","14.4455","0.0017","90","","98.657","0.002","90","","986.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Theophylline-7-acetic acid","","- C9 H10 N4 O4 -","- C9 H10 N4 O4 -","- C36 H40 N16 O16 -","4","1","","Zhang, L.-J.; Liu, M.-C.; Ding, J.-C.; Wu, H.-Y.","Crystal structure of theophylline-7-acetic acid, C~9~H~10~N~4~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","59","60","","","","0.71073","MoKα","","0.0681","0.0525","","","0.1286","0.1377","","","","","","1.059","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101922","27.819","0.004","27.819","0.004","14.447","0.006","90","","90","","120","","9683","4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","{μu-Dichloro-bis[N-benzyl-bis(2-pyridylmethyl)amino]dicopper(II)} diperchlorate ethanol solvate (1:2:2/3)","","- C39.33 H42 Cl4 Cu2 N6 O8.67 -","- C39.32 H41.96 Cl4 Cu2 N6 O8.66 -","- C353.88 H377.64 Cl36 Cu18 N54 O77.94 -","9","0.5","","Kaizer, J.; Góger, S.; Speier, G.; Réglier, M.; Giorgi, M.","Crystal structure of μ-dichlorobis(N-benzyl-bis(2-pyridyl-methyl) amino)dicopper(II) diperchlorate ethanol solvate (1:2/3), [Cu~2~Cl~2~{N (C~6~H~6~N)~2~(C~7~H~7~)}~2~][ClO~4~]~2~ · 2/3 C~2~H~5~OH","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","75","76","","","","0.71073","MoKα","","0.0495","0.04","","","0.1024","0.1091","","","","","","1.053","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101923","46.409","0.009","4.7996","0.001","9.987","0.002","90","","98.1","0.03","90","","2202.4","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(salicylidene)-1,10-decanediamine","","- C24 H32 N2 O2 -","- C24 H32 N2 O2 -","- C96 H128 N8 O8 -","4","0.5","","Yu, Y.-Y.","Crystal structure of N,N'-bis(salicylidene)-1,10-decanediamine, C~10~H~20~ (NCHC~6~H~4~OH)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","63","64","","","","0.71073","MoKα","","","0.0473","","","0.1158","0.1422","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8101924","8.669","0.003","22.88","0.005","10.22","0.003","90","","96.04","0.02","90","","2015.9","1","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(diphenyl)methyl-N-(3',3'-dimethyl-2'-oxo)butyl-2(R),3(R)-epoxybutyramide","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","2","","Tinant, B.; Laurent, M.; Marchand-Brynaert, J.","Crystal structure of N-(diphenyl)methyl-N-(3',3'-dimethyl-2'-oxo)butyl- 2(R),3(R)-epoxybutyramide, C~23~H~27~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","68","70","","","","0.71069","MoKα","","0.0407","0.0394","","","0.1046","0.1058","","","","","","1.051","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101925","6.054","0.002","11.479","0.005","29.21","0.003","90","","90","","90","","2029.9","1.1","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(diphenyl)methyl-3(S)-[1'(R)-hydroxoethyl]-4(S)-[2"",2""-dimethyl-1""- oxopropyl]-2-azetidinone","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Tinant, B.; Laurent, M.; Marchand-Brynaert, J.","Crystal structure of N-(diphenyl)methyl-3(S)-[1'(R)-hydroxoethyl]- 4(S)-[2'',2''-dimethyl-1''-oxopropyl]-2-azetidinone, C~23~H~27~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","71","72","","","","0.71069","MoKα","","0.0511","0.0472","","","0.1175","0.1209","","","","","","1.07","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101926","12.7751","0.0005","12.7751","0.0005","9.0835","0.0002","90","","90","","120","","1283.84","0.08","293","2","293","2","","","","","","","","7","P -3","-P 3","147","catena-tri-μ-trimethylammonium-acetatomanganese tetrachlorozincate","catena-(tris(μ-betaine-O,O')manganese(II)) tetrachlorozincate","","- C15 H33 Cl4 Mn N3 O6 Zn -","- C15 H33 Cl4 Mn N3 O6 Zn -","- C30 H66 Cl8 Mn2 N6 O12 Zn2 -","2","0.333333","","Wiehl, L.; Schreuer, J.; Haussühl, E.","Crystal structures of catena-(tris(μ-betaine-O,O')-manganese (II)) tetrachlorozincate and catena-(tris(μ-betaine-O,O')manganese (II)) tetrachlorocobaltate, [{(CH~3~)~3~NCH~2~COO}~3~Mn][MCl~4~] (M = Zn, Co)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","77","79","","","","0.71073","MoKα","","0.0367","0.0318","","","0.0793","0.0834","","","","","","1.048","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101927","12.7832","0.0007","12.7832","0.0007","9.0769","0.0004","90","","90","","120","","1284.54","0.11","293","2","293","2","","","","","","","","7","P -3","-P 3","147","catena-tri-μ-trimethylammonium-acetatomanganese tetrachlorocobaltate","catena-(tris(μ-betaine-O,O')manganese(II)) tetrachlorocobaltate","","- C15 H33 Cl4 Co Mn N3 O6 -","- C15 H33 Cl4 Co Mn N3 O6 -","- C30 H66 Cl8 Co2 Mn2 N6 O12 -","2","0.333333","","Wiehl, L.; Schreuer, J.; Haussühl, E.","Crystal structures of catena-(tris(μ-betaine-O,O')-manganese (II)) tetrachlorozincate and catena-(tris(μ-betaine-O,O')manganese (II)) tetrachlorocobaltate, [{(CH~3~)~3~NCH~2~COO}~3~Mn][MCl~4~] (M = Zn, Co)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","77","79","","","","0.71073","MoKα","","0.0347","0.0282","","","0.0728","0.0762","","","","","","1.068","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101928","11.365","0.001","16.863","0.002","11.257","0.001","90","","113.223","0.001","90","","1982.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","? bis[2-(cyclopropyliminomethyl)-4-nitrophenolato]copper(II)","bis[N-cyclopropyl-5-nitrosalicylaldiminato]copper(II)","","- C20 H18 Cu N4 O6 -","- C20 H18 Cu N4 O6 -","- C80 H72 Cu4 N16 O24 -","4","1","","Han, X.-Q.; Yue, G.-R.","Crystal structure of bis[N-cyclopropyl-5-nitrosalicyl-aldiminato]copper (II), Cu[(C~3~H~5~NCH)(O)C~6~H~3~(NO~2~)]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","73","74","","","","0.71073","MoKα","","0.0501","0.0346","","","0.0772","0.0826","","","","","","1.05","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101929","6.081","0.003","7.838","0.003","22.6","0.01","90","","92.127","0.007","90","","1076.4","0.8","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","kakkalidone","","- C23 H24 O11 -","- C23 H24 O11 -","- C46 H48 O22 -","2","1","","Zhang, X.-Q.; Zhang, Z.-T.; Zhang, X.-L.","Crystal structure of kakkalidone, C~23~H~24~O~11~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","80","82","","","","0.71073","MoKα","","0.1265","0.0722","","","0.1844","0.2258","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"8101930","5.9762","0.0009","8.5082","0.0013","10.3156","0.0015","106.634","0.003","93.496","0.003","96.417","0.003","497.03","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","5-fluoro-1-benzyluracil","","- C11 H9 F N2 O2 -","- C11 H9 F N2 O2 -","- C22 H18 F2 N4 O4 -","2","1","","Ding, J.-C.; Liu, M.-C.; Zhang, L.-J.; Wu, H.-Y.","Crystal structure of 5-fluoro-1-benzyluracil, (C~6~H~5~)CH~2~(C~4~N~2~H~2~FO~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","83","84","","","","0.71073","MoKα","","0.0595","0.0461","","","0.0952","0.1016","","","","","","1.079","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101931","9.4637","0.00003","12.29468","0.00003","40.46176","0.00004","90","","90","","90","","4707.85","0.019","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","taxuspinanane A acetonitrile solvate","","- C49 H62 N2 O14 -","- C49 H62 N2 O14 -","- C196 H248 N8 O56 -","4","1","","Buchta, M.; Jegorov, A.; Hušák, M.; Cejka, J.; Kratochvíl, B.; Kuzma, M.; Sedmera, P.","Crystal structure of taxuspinanane A acetonitrile solvate, C~47~H~59~NO~14~ · CH~3~CN","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","97","100","","","","1.5418","CuKα","","0.1038","0.1019","","0.0995","0.0991","0.0991","","","","","","0.964","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101932","8.4623","0.0019","8.5144","0.0019","10.467","0.002","79.823","0.004","74.813","0.004","76.791","0.004","703.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","bis(2-hydroxy-2,2-bis(pyridin-2-yl)acetato)nickel(II) methanol monosolvate","","- C25 H22 N4 Ni O7 -","- C25 H18 N4 Ni O7 -","- C25 H18 N4 Ni O7 -","1","0.5","","Tang, L.; Li, J.; Li, D.-S.; Zhou, C.-H.; Wang, J.-J.; Wang, J.-W.","Crystal structure of bis(2-hydroxy-2,2-bis(pyridin-2-yl)acetato)nickel (II) methanol solvate, Ni[(C~5~H~4~N)~2~C(OH)COO]~2~·CH~3~OH","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","85","86","","","","0.71073","MoKα","","0.0505","0.0445","","","0.1407","0.1443","","","","","","1.077","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101933","9.9053","0.0002","11.473","0.0003","18.5156","0.0005","90","","94.94","0.002","90","","2096.36","0.09","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-2-ruthenocenylethenylcobaltocenium hexafluorophosphate","","- C22 H20 Co F6 P Ru -","- C22 H20 Co F6 P Ru -","- C88 H80 Co4 F24 P4 Ru4 -","4","1","","Laus, G.; Strasser, C. E.; Wurst, K.; Schottenberger, H.","Crystal structure of (E)-2-ruthenocenylethenylcobaltocenium hexafluorophosphate, [(C~5~H~5~)Ru(C~12~H~10~)Co(C~5~H~5~)][PF~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","103","104","","","","0.71073","MoKα","","0.055","0.0408","","","0.088","0.0936","","","","","","1.031","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101934","9.748","0.001","11.701","0.002","15.552","0.002","90","","90","","90","","1773.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","dimethyl (2S,3R,3aS,4S,5R,6R)-6-iodomethyl-4,5-isopropylidenedioxy- hexahydropyrrolo[1,2-b]pyrazole-2,3-dicarboxylate","","- C14 H21 I N2 O6 -","- C14 H21 I N2 O6 -","- C56 H84 I4 N8 O24 -","4","1","","Frey, W.; Shaw, D.; Jégou, A.; Jäger, V.","Crystal structure of dimethyl (2S,3R,3aS,4S,5R,6R)-6-iodomethyl-4, 5-isopropylidenedioxy-hexahydro-pyrrolo[1,2-b]pyrazole-2,3-dicarboxylate, C~14~H~21~IN~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","87","88","","","","0.71073","MoKα","","0.0601","0.0495","","","0.1134","0.1204","","","","","","1.014","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101935","24.404","0.003","6.4871","0.0011","13.4873","0.0018","90","","108.289","0.012","90","","2027.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2':6',2""-terpyridine 1,1""-dioxide 1,2,4,5-tetracyanobenzene","","- C25 H13 N7 O2 -","- C25 H13 N7 O2 -","- C100 H52 N28 O8 -","4","0.5","","McKay, S. E.; Wheeler, K. A.; Holthouse, B.","Crystal structure of 2,2':6',2''-terpyridine 1,1''-dioxide 1,2,4,5- tetracyanobenzene, C~15~H~11~N~3~O~2~ · C~6~H~4~(CN)~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","91","92","","","","0.71073","MoKα","","0.0406","0.0375","","","0.0965","0.0988","","","","","","1.101","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101936","15.231","0.003","15.641","0.003","7.8003","0.0016","90","","97.53","0.03","90","","1842.2","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl-(2E)-2-[(tert-butylamino)(1,3-dimethyl-2,4,6- trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]but-2-enedioate","","- C17 H23 N3 O7 -","- C17 H23 N3 O7 -","- C68 H92 N12 O28 -","4","1","","Zonouzi, A.; Rahmani, H.; Samareh Afsari, H.","Crystal structure of dimethyl (2E)-2-[(tert-butylamino)-(1,3-dimethyl- 2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]but-2-enedioate, C~17~H~23~N~3~O~7~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","133","134","","","","0.71073","MoKα","","0.0709","0.0395","","","0.1093","0.1147","","","","","","0.986","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101937","16.399","0.002","16.138","0.002","21.349","0.002","90","","96.735","0.007","90","","5611","1.1","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,5-cyclooctadiene-bis[(4-methyl-pyridin-2-yl)-trimethylsilanyl- amido]ruthenium(II)","","- C26 H42 N4 Ru Si2 -","- C26 H42 N4 Ru Si2 -","- C208 H336 N32 Ru8 Si16 -","8","1","","Deeken, S.; Irrgang, T.; Kempe, R.","Crystal structure of 1,5-cyclooctadiene-bis[(4-methyl-pyridin-2-yl)- trimethylsilanyl-amido]ruthenium(II), Ru(C~8~H~12~)(C~9~H~15~N~2~Si) ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","93","94","","","","0.71069","MoKα","","0.0511","0.034","","","0.0831","0.0967","","","","","","1.06","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101938","22.183","0.0013","10.413","0.0006","15.267","0.0009","90","","118.038","0.005","90","","3112.7","0.3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-bis[2-(diphenylphosphinoaminato)-4-methylpyridine]platinum(II)","","- C36 H32 N4 P2 Pt -","- C36 H32 N4 P2 Pt -","- C144 H128 N16 P8 Pt4 -","4","0.5","","Schmalz, T.; Karthikeyan, S.; Irrgang, T.; Kempe, R.","Crystal structure of cis-bis[2-(diphenylphosphinoaminato)-4-methylpyridine] platinum(II), Pt(C~18~H~16~N~2~P)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","95","96","","","","0.71069","MoKα","","0.0274","0.0241","","","0.068","0.0693","","","","","","0.777","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101939","17.412","0.002","12.913","0.003","6.5669","0.0001","90","","111.934","0.018","90","","1369.6","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","catena-[(μ~3~-benzene-1,3,5-tricarboxylato)(μ~2~-benzene-1,3,5- tricarboxylato)-dodecaaqua-tricopper(ii)]","","- C18 H30 Cu3 O24 -","- C18 H30 Cu3 O24 -","- C36 H60 Cu6 O48 -","2","0.5","","Zhang, Q.-W.; Wang, G.-X.","Crystal structure of catena-[dodecaaqua(μ^3^-benzene-1,3,5- tricarboxylato)(μ^2^-benzene-1,3,5-tricarboxylato)-tricopper (II)], Cu~3~(H~2~O)~12~(C~9~H~3~O~6~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","101","102","","","","0.71073","MoKα","","","0.0363","","","0.0786","0.0826","","","","","","0.989","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101940","6.0786","0.0012","19.095","0.004","8.1687","0.0011","90","","95.231","0.012","90","","944.2","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","rel-(2R,3aS)-2-bromomethyl-3,3a,4,5,6,7-hexahydro-2H-indole 1-oxide","","- C9 H14 Br N O -","- C9 H14 Br N O -","- C36 H56 Br4 N4 O4 -","4","1","","Frey, W.; Gulla, M.; Jäger, V.","Crystal structure of rel-(2R,3aS)-2-bromomethyl-3,3a,4,5,6,7-hexahydro- 2H-indole 1-oxide, C~9~H~14~BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","89","90","","","","0.71073","MoKα","","0.0615","0.047","","","0.1133","0.1198","","","","","","1.039","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101941","10.5798","0.0005","10.7076","0.0005","18.6826","0.0006","84.413","0.007","86.541","0.008","62.797","0.004","1873.11","0.16","295","2","130","2","","","","","","","","5","P -1","-P 1","2","","bis(diaqua-μ-(4,4'-bipyridine-κN)bis(pyridine-2,6-dicarboxylato-κ^3^O,N,O) dicopper(II)) monoaqua-μ-(4,4'-bipyridine-κN)bis(pyridine-2,6-dicarboxylato- κ^3^O,N,O)dicopper(II) hexahydrate, (Cu2(H2O)2(C10H8N2)(C7H3NO4)2)2 τimes Cu2(H2O)(C10H8N2)(C7H3NO4)2 τimes 6H2O","","- C72 H64 Cu6 N12 O35 -","- C24 H17.3333 Cu2 N4 O11.6667 -","- C72 H52 Cu6 N12 O35 -","3","1.5","","Wen, Y.-H.; He, Y.-H.","Crystal structure of bis(diaqua-μ-(4,4'-bipyridine-κN) bis-(pyridine-2,6-dicarboxylato-κ^3^O,N,O)dicopper(II)) monoaqua- μ-(4,4'-bipyridine-κN)bis(pyridine-2,6-dicarboxylato- κ^3^O,N,O)dicopper(II) hexahydrate, 2Cu~2~(H~2~O)~2~(C~10~H~8~N~2~) (C~7~H~3~NO~4~)~2~ · Cu~2~(H~2~O)(C~10~H~8~N~2~)(C~7~H~3~NO~4~)~2~ · 6H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","142","144","","","","0.71073","MoKα","","0.0322","0.0294","","","0.0845","0.0868","","","","","","1.063","","","","has coordinates","194594","2020-10-21","18:00:00",""
"8101942","21.069","0.005","11.494","0.003","7.9961","0.0018","90","","97.257","0.003","90","","1920.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methylammonium 4',7-dimethoxyisoflavone-3'-sulfonate monohydrate","","- C18 H21 N O8 S -","- C18 H21 N O8 S -","- C72 H84 N4 O32 S4 -","4","1","","He, Y.; Cheng, X.-L.; Chang, Y.","Crystal structure of methylammonium 4',7-dimethoxy-isoflavone-3'-sulfonate monohydrate, (CH~3~NH~3~)(C~17~H~13~O~4~SO~3~) · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","105","106","","","","0.71073","MoKα","","0.0766","0.044","","","0.1046","0.124","","","","","","1.026","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101943","6.4436","0.0008","16.4383","0.0019","15.3404","0.0018","90","","98.536","0.002","90","","1606.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-((1-(1-adamantyl)ethyl)iminomethyl)phenol","","- C19 H25 N O -","- C19 H25 N O -","- C76 H100 N4 O4 -","4","2","","Shi, X.; Lü, Z.-X.; Zhao, G.-L.","Crystal structure of 2-((1-(1-adamantyl)ethyl)iminomethyl)phenol, C~19~H~25~NO","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","145","147","","","","0.71073","MoKα","","","0.0793","","","0.1613","0.1722","","","","","","1.118","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101944","31.9854","0.0012","13.3294","0.0005","23.1584","0.001","90","","123.975","0.002","90","","8187.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3-bis(triphenylphosphonium)propane tetrakis(peroxo)tungstate tetrahydrate","","- C39 H44 O12 P2 W -","- C39 H36 O12.001 P2 W -","- C312 H288 O96.008 P16 W8 -","8","1","","Shi, X.-Y.; Wei, J.-F.","Crystal structure of 1,3-bis(triphenylphosphonium)propane tetrakis (peroxo)tungstate tetrahydrate, [C~3~H~6~{P(C~6~H~5~)~3~}~2~][WO~8~] · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","148","150","","","","0.71073","MoKα","","0.0729","0.0407","","","0.0947","0.1051","","","","","","0.961","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101945","21.802","0.004","8.821","0.002","12.676","0.004","90","","90","","90","","2437.8","1","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","4-ethyl-5-[{(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl}methyl]-4H-1,2,4-triazole-3(2H)-thione","","- C8 H12 N6 S2 -","- C8 H12 N6 S2 -","- C64 H96 N48 S16 -","8","1","","Mazur, L.; Koziol, A. E.; Maliszewska-Guz, A.; Wujec, M.; Pitucha, M.; Dobosz, M.","Crystal structure of 4-ethyl-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl] methyl}-4H-1,2,4-triazole-3(2H)-thione, C~8~H~12~N~6~S~2~, the orthorhombic modification","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","151","152","","","","1.54178","CuKα","","0.0727","0.0389","","","0.0872","0.104","","","","","","1.077","","","","has coordinates","211402","2020-10-21","18:00:00",""
"8101946","7.9202","0.0006","8.0496","0.0006","10.246","0.001","97.15","0.01","106.68","0.01","94.686","0.009","616.12","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(acetylacetonato)bis(quinoline)nickel(II)","","- C28 H28 N2 Ni O4 -","- C28 H28 N2 Ni O4 -","- C28 H28 N2 Ni O4 -","1","0.5","","Zukerman-Schpector, J.; Caracelli, I.; Trindade, A. C.; Cussigh, O.; Dunstan, P. O.","Crystal structure of bis(acetylacetonato)bis(quinoline)nickel(II), Ni(C~5~H~14~O~2~N)~2~(C~9~H~7~N)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","159","160","","","","0.71073","MoKα","","0.0315","0.028","","","0.0764","0.0782","","","","","","1.1","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101947","7.4329","0.0009","23.631","0.003","7.9","0.001","90","","110.723","0.008","90","","1297.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-methoxy-N-methyl-2-[(4'-nitrophenyl)sulfinyl]propanamide","","- C11 H14 N2 O5 S -","- C11 H14 N2 O5 S -","- C44 H56 N8 O20 S4 -","4","1","","Zukerman-Schpector, J.; Domingues, N. L. C.; Olivato, P. R.; Mondino, M. G.; Reis, A. K. C. A.; Rittner, R.; Lima, F. S.","Crystal structure of N-methoxy-N-methyl-2-[(4'-nitrophenyl)sulfinyl] propanamide, C~11~H~14~N~2~O~5~S","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","161","162","","","","0.71073","MoKα","","0.1347","0.0448","","","0.0909","0.1144","","","","","","0.994","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101948","11.4799","0.0014","8.3774","0.0011","22.824","0.003","90","","90.299","0.003","90","","2195","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate","","- C26 H23 N3 O3 -","- C26 H23 N3 O3 -","- C104 H92 N12 O12 -","4","1","","Li, T.-H.; Mao, X.-B.; Song, Q.-B.","Crystal structure of ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2- ethoxybenzimidazole-7-carboxylate, C~26~H~23~N~3~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","169","170","","","","0.71073","MoKα","","0.1975","0.0505","","","0.085","0.1109","","","","","","0.639","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101949","11.239","0.004","6.31","0.002","22.157","0.008","90","","92.091","0.007","90","","1570.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(diphenylphosphinoyl)phenylmethanol","","- C19 H17 O2 P -","- C19 H17 O2 P -","- C76 H68 O8 P4 -","4","1","","Lan, K.; Chen, X.-L.","Crystal structure of (diphenylphosphinoyl)phenylmethanol, C~19~H~17~O~2~P","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","171","172","","","","0.71073","MoKα","","0.0742","0.0409","","","0.0985","0.1135","","","","","","0.975","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101950","7.3395","0.0009","11.103","0.001","11.391","0.001","107.933","0.009","95.12","0.01","99.96","0.01","859.73","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","cis-4-tert-butyl-2-(4-nitro-phenylsulfonyl)cyclohexanone","","- C16 H21 N O5 S -","- C16 H21 N O5 S -","- C32 H42 N2 O10 S2 -","2","1","","Zukerman-Schpector, J.; Maganhi, S.; Olivato, P. R.; Vinhato, E.","Crystal structure of cis-4-tert-butyl-2-(4-nitrophenylsulfonyl)cyclohexanone, C~16~H~21~NO~5~S","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","165","166","","","","0.71073","MoKα","","0.1564","0.0622","","","0.1669","0.2176","","","","","","1.005","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101951","9.583","0.004","25.297","0.012","19.975","0.009","90","","96.732","0.008","90","","4809","4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[2,4,6-tris(benzoyloxy)phenyl]ethanone","","- C29 H20 O7 -","- C29 H20 O7 -","- C232 H160 O56 -","8","2","","Shi, J.; Zhang, Z.-T.","Crystal structure of 1-[2,4,6-tris(benzoyloxy)phenyl]ethanone, C~29~H~20~O~7~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","176","178","","","","0.71073","MoKα","","0.2147","0.0709","","","0.1525","0.1892","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8101952","8.544","0.007","19.679","0.016","9.117","0.007","90","","90","","90","","1533","2","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","dimethylammonium bis(salicylato)borate","","- C16 H16 B N O6 -","- C16 H16 B N O6 -","- C64 H64 B4 N4 O24 -","4","","","Li, P.; Liu, Z.-H.","Crystal structure of dimethylammonium bis(salicylato)borate, [NH~2~ (CH~3~)~2~][BO~4~(C~7~H~4~O)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","179","180","","","","0.71073","MoKα","","0.1095","0.0518","","","0.1117","0.136","","","","","","1.001","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101953","11.914","0.004","16.368","0.005","18.237","0.006","90","","90","","90","","3556","2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","dimethanol-bis(1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-olato)- dicopper(II) dibromide","","- C28 H46 Br2 Cu2 N8 O4 -","- C28 H46 Br2 Cu2 N8 O4 -","- C112 H184 Br8 Cu8 N32 O16 -","4","0.5","","Zhang, G.-F.; Dou, Y.-L.; She, J.-B.; Yin, M.-H.","Crystal structure of dimethanol-bis(1,3-bis(3,5-dimethylpyrazol-1- yl)-propan-2-olato)dicopper(II) dibromide, [Cu~2~(C~13~H~19~N~4~O) ~2~(CH~3~OH)~2~]Br~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","181","182","","","","0.71073","MoKα","","0.1061","0.0602","","","0.1489","0.1846","","","","","","1.026","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101954","12.335","0.004","9.636","0.003","5.738","0.002","90","","90","","90","","682","0.4","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,5-dinitro-2-pyridone","","- C5 H3 N3 O5 -","- C5 H3 N3 O5 -","- C20 H12 N12 O20 -","4","1","","Zhang, G.-F.; She, J.-B.; Dou, Y.-L.; Fan, R.","Crystal structure of 3,5-dinitro-2-pyridone, C~5~H~3~NO(NO~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","183","184","","","","0.71073","MoKα","","0.0349","0.0314","","","0.0803","0.0849","","","","","","1.001","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101955","14.7374","0.0003","9.0612","0.0001","13.5805","0.0002","90","","98.964","0.004","90","","1791.37","0.05","296","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","potassium trifluoro[1,3-dithiano]borate","","- C4 H7 B F3 K S2 -","- C4 H7 B F3 K S2 -","- C32 H56 B8 F24 K8 S16 -","8","2","","Stefani, H. A.; Cella, R.; Zukerman-Schpector, J.; Caracelli, I.","Crystal structure of potassium trifluoro[1,3-dithiano]borate, K(C~4~S~2~H~7~BF~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","167","168","","","","0.71073","MoKα","","0.0487","0.0291","","","0.0846","0.0998","","","","","","1.105","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101956","16.716","0.005","6.4919","0.0019","18.64","0.006","90","","112.126","0.005","90","","1873.8","1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(1-phenyl-1H-tetrazol-5-ylthio)propane","","- C17 H16 N8 S2 -","- C17 H16 N8 S2 -","- C68 H64 N32 S8 -","4","1","","Zhang, G.-F.; Dou, Y.-L.; She, J.-B.; Zhao, S.-M.; Liu, H.-Q.","Crystal structure of 1,3-bis(1-phenyl-1H-tetrazol-5-ylthio)propane, C~3~H~6~(SCN~4~C~6~H~5~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","185","186","","","","0.71073","MoKα","","0.128","0.0521","","","0.1041","0.1282","","","","","","0.999","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101957","19.831","0.004","9.994","0.002","25.913","0.005","90","","94.38","0.03","90","","5120.7","1.8","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-benzene-bis(1-ferrocenyl-3-hydroxyprop-2-en-1-one)","","- C32 H26 Fe2 O4 -","- C32 H26 Fe2 O4 -","- C256 H208 Fe16 O32 -","8","1","","Shi, Y.-C.; Cheng, H.-J.; Zhou, R.; Lu, Y.","Crystal structure of 1,3-benzene-bis(1-ferrocenyl-3-hydroxyprop-2- en-1-one), (C~5~H~5~)Fe(C~22~H~16~O~4~)Fe(C~5~H~5~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","197","199","","","","0.71073","MoKα","","0.138","0.0526","","","0.1183","0.1475","","","","","","0.989","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101958","7.3533","0.0015","14.523","0.003","17.585","0.004","90","","93.387","0.003","90","","1874.7","0.7","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-dihydroxybenzoate hemihydrate","","- C9 H11 O4.5 -","- C9 H11 O4.5 -","- C72 H88 O36 -","8","2","","Zhang, Q.-W.; Wang, G.-X.","Crystal structure of ethyl 3,5-dihydroxybenzoate hemihydrate, C~9~H~10~O~4~ · ½H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","187","188","","","","0.71073","MoKα","","","0.04","","","0.0837","0.092","","","","","","1.021","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101959","15.485","0.01","11.554","0.007","17.811","0.011","90","","110.478","0.009","90","","2985","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyridine pentaborate pyridine hemisolvate","pyridinium tetrahydroxyhexaoxopentaborate pyridine hemisolvate","","- C7.5 H12.5 B5 N1.5 O10 -","- C7.5 H12.5 B5 N1.5 O10 -","- C60 H100 B40 N12 O80 -","8","1","","Zhang, W.-J.; Liu, Z.-H.","Crystal structure of pyridinium tetrahydroxyhexaoxopentaborate pyridine hemisolvate, (C~5~H~6~N)[B~5~O~6~(OH)~4~] · ½C~5~H~5~N","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","189","190","","","","0.71073","MoKα","","0.1347","0.055","","","0.1352","0.1785","","","","","","1.009","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101960","11.9963","0.0003","12.6912","0.0003","21.242","0.0007","85.27","0.002","73.661","0.002","86.307","0.002","3089.99","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(1,10-phenanthroline-N,N')bis(2-chlorobenzoato)tetrakis(μ-2- chlorobenzoato)dilanthanum(III)","","- C66 H40 Cl6 La2 N4 O12 -","- C66 H40 Cl6 La2 N4 O12 -","- C132 H80 Cl12 La4 N8 O24 -","2","1","","Zhang, B.-S.","Crystal structure of bis(1,10-phenanthroline-N,N)bis(2-chlorobenzoato)tetrakis (μ-2-chlorobenzoato)dilanthanum(III), La~2~(C~12~H~8~N~2~)~2~(ClC~7~H~4~O~2~)~6~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","191","194","","","","0.71073","MoKα","","0.0916","0.057","","","0.1404","0.1546","","","","","","1.081","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101961","11.723","0.002","8.6507","0.0016","13.839","0.003","90","","91.703","0.004","90","","1402.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-(aqua-tris(1H-imidazole-N)(μ-sulfato)copper(II))","","- C9 H14 Cu N6 O5 S -","- C9 H14 Cu N6 O5 S -","- C36 H56 Cu4 N24 O20 S4 -","4","1","","Fu, F.; Guo, J.-X.; Li, D.-S.; Tang, L.; Zhang, M.-L.; Wang, J.-W.","Crystal structure of catena-aquatris(1H-imidazole-N)-(μ-sulfato) copper(II), Cu(H~2~O)(C~3~H~4~N~2~)~3~(SO~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","195","196","","","","0.71073","MoKα","","0.0747","0.0459","","","0.1214","0.1329","","","","","","0.987","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101962","7.918","0.0016","14.912","0.003","19.617","0.004","90","","94.66","0.03","90","","2308.6","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","diaquadidysprosium triglutarate tetrahydrate","","- C15 H26 Dy2 O18 -","- C15 H26 Dy2 O18 -","- C60 H104 Dy8 O72 -","4","0.5","","Wei, D.-Y.; Huang, S.-J.; Sun, J.; Zheng, Y.-Q.","Crystal structure of diaquadidysprosium triglutarate tetrahydrate, Dy~2~(H~2~O)~2~[O~2~C(CH~2~)~3~CO~2~]~3~ 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","273","274","","","","0.71073","MoKα","","0.0351","0.027","","","0.0626","0.0657","","","","","","1.019","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101963","23.82","0.005","9.166","0.003","26.778","0.006","90","","95.579","0.017","90","","5819","3","290","2","290","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","N,N'-bis(4-nitrophenyl)-1,4-naphthalenedicarboxamide bis(dimethylsulfoxide) solvate","","- C28 H28 N4 O8 S2 -","- C28 H28 N4 O8 S2 -","- C224 H224 N32 O64 S16 -","8","1","","Jing, L.-H.; Qin, D.-B.; Gu, S.-J.; Zhang, H.-X.; Mao, Z.-H.","Crystal structure of N,N'-bis(4-nitrophenyl)-1,4-naphthalene-dicarboxamide bis(dimethylsulfoxide) solvate, C~24~H~16~N~4~O~6~ · 2C~2~H~6~OS","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","200","202","","","","0.71073","MoKα","","0.2653","0.0694","","","0.1341","0.1757","","","","","","0.86","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101964","13.935","0.003","20.589","0.003","17.349","0.004","90","","99.09","0.02","90","","4915.1","1.7","295","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,17-bis(N-tert-butylhydroxyamine)-11,23-dibromo-25,26,27,28- tetrapropoxycalix[4]arene","","- C48 H64 Br2 N2 O6 -","- C48 H64 Br2 N2 O6 -","- C192 H256 Br8 N8 O24 -","4","1","","Zhang, H.; Hu, X.-J.; Liu, J.-K.; Li, Y.; Yang, H.-J.; Wang, R.-J.","Crystal structure of 5,17-bis(N-tert-butylhydroxyamine)-11,23-dibromo- 25,26,27,28-tetrapropoxycalix[4]arene, C~48~H~64~Br~2~N~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","203","205","","","","0.71073","MoKα","","0.1805","0.0695","","","0.1216","0.1492","","","","","","1.045","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101965","13.732","0.003","17.188","0.003","14.127","0.003","90","","104.57","0.03","90","","3227.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aquabis(2,2'-bipyridine)bis(1,4-benzenedicarboxylato)dicopper(II)","","- C36 H26 Cu2 N4 O9 -","- C36 H26 Cu2 N4 O9 -","- C144 H104 Cu8 N16 O36 -","4","1","","Wang, C.-C.","Refinement of the crystal structure of aquabis(2,2'-bipyridine)bis (terephtalato)dicopper(II), Cu~2~(H~2~O)(C~10~H~8~N~2~)~2~(C~8~H~4~O~4~) ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","385","387","","","","0.71073","MoKα","","0.0443","0.0324","","","0.085","0.0892","","","","","","1.097","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101966","15.8806","0.0015","15.1194","0.0014","16.0682","0.0015","90","","109.575","0.003","90","","3635.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(pentamethylcyclopentadienyl)difluorotitanum(IV)","","- C20 H30 F2 Ti -","- C20 H30 F2 Ti -","- C160 H240 F16 Ti8 -","8","2","","Nuss, H.; Jansen, M.","Crystal structure of bis(pentamethylcyclopentadienyl)difluorotitanum (IV), Ti[C~5~(CH~3~)~5~]~2~F~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","206","208","","","","0.71073","MoKα","","0.0698","0.0543","","","0.1323","0.1402","","","","","","1.113","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101967","13.975","0.002","12.4942","0.0017","15.318","0.002","90","","91.717","0.003","90","","2673.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","diethyl ether tetrachloro-dimethylamido-tantalum(V)","","- C6 H16 Cl4 N O Ta -","- C6 H16 Cl4 N O Ta -","- C48 H128 Cl32 N8 O8 Ta8 -","8","2","","Blöß, S. P.; Nuss, J.; Jansen, M.","Crystal structure of (diethyl ether)-tetrachloro-dimethylamido-tantalum (V), TaCl~4~(C~2~H~6~N)(C~4~H~10~O)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","209","210","","","x-ray","0.71073","MoKα","","0.0999","0.0697","","","0.1566","0.1706","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8101968","7.6239","0.0015","8.6259","0.0017","11.086","0.002","77.68","0.03","86.66","0.03","86.49","0.03","710.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-methyl-N-(4,5-diazafluorenylidene)benzenamine monohydrate","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C36 H30 N6 O2 -","2","1","","Wang, C.-X.; Wang, P.; Li, Z.-F.","Crystal structure of 4-methyl-N-(4,5-diazafluorenylidene)benzenamine monohydrate, C~18~H~13~N~3~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","211","212","","","","0.71073","MoKα","","0.1111","0.0875","","","0.1104","0.1559","","","","","","1.082","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101969","10.053","0.003","9.859","0.003","10.202","0.003","90","","96.087","0.006","90","","1005.4","0.5","173","","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,6S,4'S)-2-benzyl-3-(2',2'-dimethyl[1',3']dioxolan-4'-yl)-4-methoxy- 6-phenyl-3,6-dihydro-2H-1,2-oxazine","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Chowdhury, M. A.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of (3R,6S,4'S)-2-benzyl-3-(2',2'-dimethyl-[1',3'] dioxolan-4'-yl)-4-methoxy-6-phenyl-3,6-dihydro-2H-1,2-oxazine, C~23~H~27~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","213","214","","","","0.71073","MoKα","","0.0631","0.0541","","","0.1331","0.1383","","","","","","0.994","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101970","22.249","0.002","8.5709","0.001","11.0831","0.001","90","","117.037","0.008","90","","1882.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2RS)-2-bromomethyl-4,4-dimethyl-3,4-dihydro-2H-pyrrole 1-oxide hemi-hydrobromide","","- C7 H12.5 Br1.5 N O -","- C7 H12.5 Br1.5 N O -","- C56 H100 Br12 N8 O8 -","8","1","","Frey, W.; Gulla, M.; Jäger, V.","Crystal structure of (2RS)-2-bromomethyl-4,4-dimethyl-3,4-dihydro- 2H-pyrrole 1-oxide hemi(hydrobromide), C~7~H~12~BrNO · ½HBr","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","215","216","","","","1.54178","CuKα","","0.044","0.0426","","","0.1147","0.1159","","","","","","1.079","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101971","13.1274","0.0007","23.3094","0.0011","6.995","0.001","90","","90","","90","","2140.4","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","rel-(2R,3S)-2-bromomethyl-3-phenyl-3,4-dihydro-2H-pyrrole 1-oxide","","- C11 H12 Br N O -","- C11 H12 Br N O -","- C88 H96 Br8 N8 O8 -","8","1","","Frey, W.; Gulla, M.; Jäger, V.","Crystal structure of rel-(2R,3S)-2-bromomethyl-3-phenyl-3,4-dihydro- 2H-pyrrole 1-oxide, C~11~H~12~BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","217","218","","","","1.54178","CuKα","","0.0759","0.0648","","","0.1896","0.2074","","","","","","1.171","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101972","6.1744","0.0008","14.9146","0.0019","19.453","0.003","87.552","0.011","84.371","0.011","88.936","0.011","1781","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-hexyl-4'-hydroxyazobenzene isopropanol hemisolvate","","- C19.5 H26 N2 O1.5 -","- C19.5 H26 N2 O1.5 -","- C78 H104 N8 O6 -","4","2","","Nasiri, H. R.; Bolte, M.; Lorch, M.; Schwalbe, H.","Crystal structure of 4-hexyl-4'-hydroxyazobenzene isopropanol hemisolvate, C~18~H~22~N~2~O · ½C~3~H~8~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","219","220","","","","0.71073","MoKα","","0.1458","0.0594","","","0.1341","0.1598","","","","","","0.798","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101973","13.278","0.0014","10.3152","0.0014","24.825","0.003","90","","90.34","0.008","90","","3400.1","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","trans-dichloro-1,3-propanediamine-bis[(2- methoxyethyl)diphenylphosphine]ruthenium(II)","","- C33 H44 Cl2 N2 O2 P2 Ru -","- C33 H44 Cl2 N2 O2 P2 Ru -","- C132 H176 Cl8 N8 O8 P8 Ru4 -","4","1","","Warad, I.; Al-Resayes, S.; Eichele, K.","Crystal structure of trans-dichloro-1,3-propanediamine-bis[(2-methoxyethyl) diphenylphosphine]ruthenium(II), RuCl~2~(C~3~H~10~N~2~)(C~15~H~17~OP) ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","275","277","","","","0.71073","MoKα","","0.0275","0.0234","","","0.0573","0.059","","","","","","1.066","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101974","13.0955","0.0006","8.532","0.0006","17.9341","0.0012","90","","92.776","0.004","90","","2001.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-dichloro(diphenylsulfimide)(dimethyl sulfoxide)platinum(II) toluene hemisolvate","","- C17.5 H21 Cl2 N O Pt S2 -","- C17.5 H21 Cl2 N O Pt S2 -","- C70 H84 Cl8 N4 O4 Pt4 S8 -","4","1","","Scaffidi-Domianello, Yu. Yu.; Haukka, M.; Kelly, P. F.; Galanski, M.; Keppler, B. K.; Kukushkin, V. Yu.","Crystal structure of trans-dichloro(dimethylsulfoxide)(diphenylsulfimide) platinum(II) toluene hemisolvate, PtCl~2~(C~2~H~6~SO)(C~12~H~10~SNH) · ½C~7~H~8~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","226","228","","","","0.71073","MoKα","","0.0257","0.023","","","0.0523","0.0539","","","","","","1.049","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101975","7.3506","0.0016","22.077","0.005","8.129","0.0017","90","","99.907","0.004","90","","1299.5","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-nitro-benzene-1,4-dioxyacetic acid dihydrate","","- C10 H13 N O10 -","- C10 H13 N O10 -","- C40 H52 N4 O40 -","4","1","","Yu, W.; Zhang, T.-L.; Yang, L.; Zhang, J.-G.; Wu, R.-F.; Ren, F.-J.; Guo, J.-Y.; Liu, L.-H.","Crystal structure of 2-nitrobenzene-1,4-dioxyacetic acid dihydrate, C~6~H~3~(NO~2~)(OCH~2~COOH)~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","229","230","","","","0.71073","MoKα","","0.0852","0.0406","","","0.0883","0.1058","","","","","","1.012","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101976","11.295","0.002","23.628","0.005","16.61","0.003","90","","92.145","0.005","90","","4429.7","1.5","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-bromo-1,4,5,7,8-pentamethoxynaphthalene","","- C15 H17 Br O5 -","- C15 H17 Br O5 -","- C180 H204 Br12 O60 -","12","3","","Sörgel, S.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of 2-bromo-1,4,5,7,8-pentamethoxynaphthalene, C~10~H~2~Br (OCH~3~)~5~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","278","280","","","","0.71073","MoKα","","0.0593","0.0384","","","0.0958","0.1045","","","","","","1.037","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101977","9.485","0.003","10.65","0.003","13.167","0.004","80.904","0.007","85.256","0.007","66.161","0.006","1201","0.6","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","chloro-acrylato-bis(1,10-phenanthroline)-cadmium(II)","","- C27 H19 Cd Cl N4 O2 -","- C27 H19 Cd Cl N4 O2 -","- C54 H38 Cd2 Cl2 N8 O4 -","2","1","","Cai, T.-J.; Jiang, W.-J.; Peng, Z.-S.; Long, Y.-F.; Deng, Q.","Crystal structure of chloro(acrylato-O,O')bis(1,10-phenanthroline- N,N')cadmium(II), CdCl(C~3~H~3~O~2~)(C~12~H~8~N~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","231","232","","","","0.71073","MoKα","","0.0272","0.0236","","","0.0575","0.0599","","","","","","1.031","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101978","11.587","0.005","8.13","0.005","15.239","0.005","90","0.005","90","0.005","90","0.005","1435.5","1.2","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 -","- C18 H20 N2 -","- C72 H80 N8 -","4","1","","De Simone, C. A.; Malta, V. R. S.; Lamenha, G. S.; Humberto, M. M. S.; Porto, K. R. A.; Sant'Ana, A. E. G.","Crystal structure of 1,2,5-trimethyl-1,2,3,4-tetrahydropyrido[4,3- b]carbazole (guatambuine), C~18~H~20~N~2~, from Aspidosperma subincanum Mart.","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","233","234","","","x-ray","0.71073","MoKα","","","0.0553","","","","0.1371","","","","","","1.061","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101979","10.646","0.001","8.185","0.001","26.402","0.004","90","","90","","90","","2300.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","carbohydrazide p-toluenesulfonate","","- C16 H28 N8 O8 S2 -","- C16 H28 N8 O8 S2 -","- C64 H112 N32 O32 S8 -","4","0.5","","Yang, L.; Yu, W.; Wu, T.; Zhang, T.-L.; Zhang, J.-G.; Guo, J.-Y.; Wu, R.-F.; Ren, F.-J.","Crystal structure of carbohydrazidium(1+) p-toluene-sulfonate, (NH~2~NHCONHNH~3~)[CH~3~C~6~H~4~SO~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","281","282","","","","0.71073","MoKα","","0.0597","0.0378","","","0.0872","0.0929","","","","","","1.002","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101980","9.8","0.001","12.022","0.001","14.326","0.001","99.486","0.005","102.673","0.005","94.591","0.005","1612.3","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","(2,6-diisopropyl-phenyl)[N-(tris-pentafluorophenyl-boronyl)-pyridin-2-yl]amine","","- C35 H22 B F15 N2 -","- C35 H22 B F15 N2 -","- C70 H44 B2 F30 N4 -","2","1","","Noor, A.; Irrgang, T.; Kempe, R.","Crystal structure of (2,6-diisopropyl-phenyl)[N-tris(pentafluorophenyl)- boronyl-pyridin-2-yl]amine, (C~6~F~5~)~3~B(C~5~H~4~N)(C~12~H~18~N)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","283","284","","","","0.71069","MoKα","","0.0586","0.0457","","","0.1169","0.1236","","","","","","1.039","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101981","11.3758","0.0011","15.9551","0.0015","12.2538","0.0012","90","","97.352","0.002","90","","2205.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)acetic acid (2-hydroxy-benzylidene)hydrazide","","- C24 H27 N3 O3 -","- C24 H27 N3 O3 -","- C96 H108 N12 O12 -","4","1","","Song, Q.-B.; Zhang, J.","Crystal structure of (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol- 1-yl)acetic acid (2-hydroxy-benzylidene)hydrazide, C~24~H~27~N~3~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","285","286","","","","0.71073","MoKα","","0.1028","0.0514","","","0.1373","0.152","","","","","","0.82","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101982","9.2816","0.0007","10.5205","0.0008","11.0378","0.0007","103.144","0.004","99.428","0.004","111.743","0.003","937.53","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","aqua-bis(acrylato-O,O')-bis(1,10-phenanthroline-N,N')zinc(II) hydrate","","- C18 H18 N2 O6 Zn -","- C18 H18 N2 O6 Zn -","- C36 H36 N4 O12 Zn2 -","2","1","","Deng, Q.; Jiang, W.-J.; Peng, Z.-S.; Long, Y.-F.; Cai, T.-J.","Crystal structure of aquabis(acrylato-O,O')-(1,10-phenanthroline-N, N')zinc(II) hydrate, Zn(C~3~H~3~O~2~)~2~(H~2~O)(C~12~H~10~N~2~) · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","287","288","","","","0.71073","MoKα","","0.0344","0.0286","","","0.0762","0.08","","","","","","1.039","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101983","12.16","0.0003","9.0848","0.0003","13.2123","0.0004","90","","104.822","0.0016","90","","1411.01","0.07","200","0.1","200","0.1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","bis(6,6-dimethylcyclohexadienyl)vanadium","","- C16 H22 V -","- C16 H22 V -","- C64 H88 V4 -","4","1","","Ernst, R. D.; Basta, R.; Arif, A. M.","Crystal structure of bis(6,6-dimethylcyclohexadienyl)vanadium, V(C~8~H~11~) ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","289","290","","","","0.71073","MoKα","","0.0741","0.0464","","","0.0976","0.1098","","","","","","1.034","","","","has coordinates","296806","2024-12-09","16:06:24",""
"8101984","8.6524","0.0003","9.3669","0.0002","14.2269","0.0005","81.9771","0.0018","88.1165","0.0016","72.5567","0.0018","1089.2","0.06","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","(hydrido)(η^3^-butenyl)bis(η^5^-pentamethyl-cyclopentadienyl)zirconium","","- C24 H38 Zr -","- C24 H38 Zr -","- C48 H76 Zr2 -","2","1","","Ernst, R. D.; Harvey, B. G.; Arif, A. M.","Crystal structure of (hydrido)(η^3^-butenyl)-bis(η^5 ^-pentamethylcyclopentadienyl)zirconium, Zr(C~4~H~7~)[C~5~(CH~3~)~5~] ~2~(H)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","291","292","","","","0.71073","MoKα","","0.0453","0.034","","","0.0738","0.079","","","","","","1.049","","","","has coordinates","296806","2024-12-09","16:06:24",""
"8101985","10.752","0.004","12.245","0.003","12.72","0.005","82.6","0.02","82.88","0.03","86.66","0.02","1646.4","1","173","","173","","","","","","","","","4","P -1","-P 1","2","","(η^5^-2,4-dimethylpentadienyl)[η^2^-rel-(aR)-a-[[(1R,5E)-5-[(1,1- dimethylethyl)imino]-1,3-dimethyl-2-cyclopenten-1-yl]methyl]-N- (1-methylethyl)benzenemethanaminato-κN][2-(isocyano-κC)-2-methylpropane]- zirconium","","- C34 H53 N3 Zr -","- C34 H53 N3 Zr -","- C68 H106 N6 Zr2 -","2","1","","Ernst, R. D.; Kulsomphob, V.; Arif, A. M.","Crystal structure of (η^5^-2,4-dimethylpentadienyl)[η ^2^-rel-(aR)-a-[[(1R,5E)-5-[(1,1-dimethylethyl)imino]-1,3-dimethyl- 2-cyclopenten-1-yl]methyl]-N-(1-methylethyl)-benzenemethanaminato- κN][2-(isocyano-κC)-2-methyl-propane]zirconium, Zr(C~7~H~11~) (C~22~H~33~N~2~)(C~4~H~9~NC)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","293","295","","","","0.71073","MoKα","","","0.0601","","","","0.0773","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101986","9.6128","0.0013","9.9134","0.0013","10.8686","0.0015","84.958","0.002","89.047","0.002","86.098","0.001","1029.3","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","bis(N-(2-aminoethyl)salicylaldiminato)iron(III) isothiocyanide","","- C19 H22 Fe N5 O2 S -","- C19 H22 Fe N5 O2 S -","- C38 H44 Fe2 N10 O4 S2 -","2","1","","Feng, X.; Han, X.; Wang, L.-Y.","Crystal structure of bis(N-(2-aminoethyl)salicyl-aldiminato)iron(III) isothiocyanide, [Fe(C~9~H~11~N~2~O)~2~][NCS]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","296","298","","","","0.71073","MoKα","","0.0463","0.0383","","","0.0927","0.0993","","","","","","1.033","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101987","8.9983","0.0002","12.9387","0.0003","18.6706","0.0004","90","","101.365","0.002","90","","2131.13","0.08","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichlorobis[N-(2,6-diisopropylphenyl)benzimidimidazolide]palladium(II)","","- C44 H50 Cl2 N6 Pd -","- C44 H50 Cl2 N6 Pd -","- C88 H100 Cl4 N12 Pd2 -","2","0.5","","Steiner, G.; Wurst, K.; Bildstein, B.; Kopacka, H.","Crystal structure of dichlorobis[N-(2,6-diisopropyl-phenyl)benzimidimidazolide] palladium(II), PdCl~2~(C~22~H~25~N~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","301","302","","","","0.71073","MoKα","","0.0329","0.0268","","","0.0689","0.0717","","","","","","1.082","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101988","11.5168","0.0005","13.9721","0.0006","14.1146","0.0004","90","","104.628","0.002","90","","2197.61","0.15","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichloro(3-cyclopentadienyl-3-methyl-1-phenylbutyliden-2,6- dimethylphenylamino)chrom(III)","","- C24 H26 Cl2 Cr N -","- C24 H26 Cl2 Cr N -","- C96 H104 Cl8 Cr4 N4 -","4","1","","Steiner, G.; Wurst, K.; Bildstein, B.; Kopacka, H.","Crystal structure of dichloro(3-cyclopentadienyl-3-methyl-1-phenyl- butyliden-2,6-dimethylphenyl-amino)chromium(III), CrCl~2~(C~24~H~26~N)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","303","304","","","","0.71073","MoKα","","0.0648","0.0392","","","0.0865","0.0951","","","","","","1.039","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101989","12.769","0.003","12.754","0.003","5.0264","0.0011","90","","99.874","0.004","90","","806.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-bromobenzoic acid hydrazide","","- C7 H7 Br N2 O -","- C7 H7 Br N2 O -","- C28 H28 Br4 N8 O4 -","4","1","","Zareef, M.; Iqbal, R.; Qadeer, G.; Wong, W.-Y.; Akhtar, H.; Arfan, M.","Crystal structure of 2-bromobenzoic acid hydrazide, C~7~H~7~BrN~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","305","306","","","","0.71073","MoKα","","0.0403","0.0283","","","0.0669","0.0739","","","","","","1.047","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101990","19.2223","0.0018","3.8987","0.0004","18.115","0.0017","90","","107.095","0.002","90","","1297.6","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","picolinic acid hydrazide","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C48 H56 N24 O8 -","8","1","","Zareef, M.; Iqbal, R.; Zaidi, J. H.; Qadeer, G.; Wong, W.-Y.; Akhtar, H.","Crystal structure of picolinic acid hydrazide, C~6~H~7~N~3~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","307","308","","","","0.71073","MoKα","","0.0425","0.0384","","","0.1162","0.1217","","","","","","1.091","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101991","11.867","0.005","15.421","0.005","19.181","0.005","90","0.005","90","0.005","90","0.005","3510","2","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","hexakis(μ~2~-acetato)-tris(acetonitrile-κN)-μ~3~-oxo-trialuminum(III) tetrachloroaluminate","","- C18 H27 Al4 Cl4 N3 O13 -","- C18 H27 Al4 Cl3.96 N3 O13 -","- C72 H108 Al16 Cl15.84 N12 O52 -","4","0.5","","Lemoine, P.; Bekaert, A.; Brion, J. D.; Viossat, B.","Crystal structure of hexakis(μ~2~-acetato)tris(acetonitrile- κN)-μ~3~-oxo-trialuminum(III) tetrachloroaluminate, [Al~3~(C~2~H~3~O~2~)~6~(C~2~H~3~N)~3~O][AlCl~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","309","310","","","","0.71073","MoKα","","0.1157","0.0493","","","0.1247","0.1404","","","","","","0.959","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101992","10.787","0.001","10.3955","0.0009","10.888","0.001","90","","108.928","0.005","90","","1154.92","0.18","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-phenylsulfinyl-cyclohexanone","","- C12 H14 O2 S -","- C12 H14 O2 S -","- C48 H56 O8 S4 -","4","1","","Zukerman-Schpector, J.; Oliveira da Silva, R.; Olivato, P. R.; Vinhato, E.; Rodrigues, A.; Cerqueira, Jr., C. R.","Crystal structure of 2-phenylsulfinyl-cyclohexanone, C~12~H~14~O~2~S","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","311","312","","","","0.71073","MoKα","","0.1744","0.0468","","","0.1074","0.142","","","","","","0.951","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101993","10.9448","0.001","20.4989","0.0019","7.4643","0.0007","90","","107.653","0.001","90","","1595.8","0.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[(1,10-phenanthroline-N,N')bis(μ-acetato-O,O')lead(II)]","","- C16 H14 N2 O4 Pb -","- C16 H14 N2 O4 Pb -","- C64 H56 N8 O16 Pb4 -","4","0.5","","Cheng, M.-Q.; Ma, L.-F.; Wang, L.-Y.","Crystal structure of catena-[(1,10-phenanthroline-N,N')-bis(μ- acetato-O,O')lead(II)], Pb(C~12~H~8~N~2~)(CH~3~COO)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","299","300","","","","0.71073","MoKα","","0.0205","0.0193","","","0.0501","0.0507","","","","","","1.037","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101994","7.0706","0.0006","9.7952","0.0008","14.7895","0.0012","105.879","0.001","91.608","0.001","96.254","0.001","977.55","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","tetrakis(melaminium) 1,2,4,5-benzenetetracarboxylate octahydrate","","- C22 H46 N24 O16 -","- C22 H46 N24 O16 -","- C22 H46 N24 O16 -","1","0.5","","Du, Z.-X.; Han, M.-L.; Feng, X.","Crystal structure of tetrakis(melaminium) 1,2,4,5-benzenetetracarboxylate octahydrate, (C~3~H~7~N~6~)~4~[C~6~H~2~(COO)~4~] · 8H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","313","315","","","","0.71073","MoKα","","0.0572","0.049","","","0.1412","0.15","","","","","","1.05","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101995","4.7747","0.0004","12.6876","0.0011","15.4457","0.0014","90","","95.316","0.001","90","","931.67","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(2-hydroxy-1,10-phenanthroline)dicopper(I)","","- C24 H14 Cu2 N4 O2 -","- C24 H14 Cu2 N4 O2 -","- C48 H28 Cu4 N8 O4 -","2","0.5","","Yu, L.; Ma, P.-T.; Li, J.; Wang, J.-P.","Refinement of the crystal structure of bis(2-hydroxy-1,10-phenanthroline) dicopper(I), Cu~2~(C~12~H~7~N~2~O)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","319","320","","","","0.71073","MoKα","","0.0271","0.0228","","","0.0603","0.0619","","","","","","1.07","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101996","8.1499","0.0008","8.1499","0.0008","26.863","0.005","90","","90","","90","","1784.3","0.4","294","2","294","2","","","","","","","","6","P 43","P 4cw","78","","8-bromo-6-chloro-1',3',3'-trimethylspiro[2H-1-benzopyran-2,2'-indoline]","","- C19 H17 Br Cl N O -","- C19 H17 Br Cl N O -","- C76 H68 Br4 Cl4 N4 O4 -","4","1","","Wang, A.-Q.; Wu, Y.; Guo, H.","Crystal structure of 8-bromo-6-chloro-1',3',3'-trimethylspiro[2H-1- benzopyran-2,2'-indoline], C~19~H~17~BrClNO","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","321","322","","","","0.71073","MoKα","","0.1479","0.0612","","","0.151","0.2019","","","","","","1.031","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101997","10.9322","0.0011","11.86","0.0012","17.996","0.0018","90","","90","","90","","2333.3","0.4","292","2","292","2","","","","","","","","3","P b c n","-P 2n 2ab","60","chalcone","(E)-1,3-diphenyl-2-propen-1-one","","- C15 H12 O -","- C15 H12 O -","- C120 H96 O8 -","8","1","","Wu, M.-H.; Yang, X.-H.; Zou, W.-D.; Liu, W.-J.; Li, C.","Refinement of the crystal structure of (E)-1,3-diphenyl-2-propen-1- one, C~15~H~12~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","323","324","","","","0.71073","MoKα","","0.101","0.0625","","","0.1622","0.1826","","","","","","1.09","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101998","10.0989","0.0002","12.8084","0.0001","12.8423","0.0002","65.074","0.001","84.31","","87.854","0.001","1498.99","0.04","293","2","293","2","","","","","","","","6","P 1","P 1","1","","diiodo-bis[(4R,5R)-trans-4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3- dioxalane]dicopper(I)","","- C62 H64 Cu2 I2 O4 P4 -","- C62 H64 Cu2 I2 O4 P4 -","- C62 H64 Cu2 I2 O4 P4 -","1","1","","Deng, Y.-H.; Yang, Y.-L.; Yang, X.-J.","Crystal structure of diiodo-bis[(4R,5R)-trans-4,5-bis[(diphenylphosphinomethyl)- 2,2-dimethyl-1,3-dioxalane]dicopper(I), Cu~2~I~2~(C~31~H~32~O~2~P~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","316","318","","","","0.71073","MoKα","","0.0447","0.0359","","","0.0927","0.0976","","","","","","1.049","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101999","9.8096","0.0014","27.121","0.006","11.41","0.003","90","","110.31","0.014","90","","2846.9","1.1","295","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,11,17,23-tetrabromo-25,27-dihydroxy-26,28-dimethoxycalix[4]arene","","- C30 H24 Br4 O4 -","- C30 H24 Br4 O4 -","- C120 H96 Br16 O16 -","4","1","","Luo, Y.-H.; Hu, X.-J.; Liu, J.-K.; Zhang, H.; Li, Y.; Yang, H.-J.; Wang, R.-J.","Crystal structure of 5,11,17,23-tetrabromo-25,27-dihydroxy-26,28-dimethoxycalix [4]arene, C~30~H~24~Br~4~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","327","328","","","","0.71073","MoKα","","0.2429","0.068","","","0.1021","0.1263","","","","","","0.953","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102000","13.295","0.002","13.113","0.002","23.252","0.003","90","","90","","90","","4053.7","1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(cyclopropyl-4-bromosalicylaldiminato)cobalt(II)","","- C20 H18 Br2 Co N2 O2 -","- C20 H18 Br2 Co N2 O2 -","- C160 H144 Br16 Co8 N16 O16 -","8","1","","Wei, Y.-J.; Wang, F.-W.","Crystal structure of bis(cyclopropyl-4-bromosalicylaldiminato)cobalt (II), Co(C~20~H~18~BrNO)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","325","326","","","","0.71073","MoKα","","0.09","0.0512","","","0.1284","0.1511","","","","","","1.036","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102001","9.5428","0.0002","14.5428","0.0003","15.2025","0.0003","66.797","0.001","72.523","0.001","78.859","0.001","1842.86","0.07","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[(μ-2-aminopyrimidine-N,N')bis(μ- chloro)bis(triphenylphosphine)dicopper(I)]","","- C40 H35 Cl2 Cu2 N3 P2 -","- C40 H35 Cl2 Cu2 N3 P2 -","- C80 H70 Cl4 Cu4 N6 P4 -","2","1","","Jin, Q.-H.; Dong, J.-C.; Gao, H.-W.; Xin, X.-L.; Yang, L.; Li, P.-Z.","Crystal structure of catena-poly[(μ-2-aminopyrimidine-N,N') bis(μ-chloro)bis(triphenylphosphine)dicopper(I)], Cu~2~Cl~2~ [P(C~6~H~5~)~3~]~2~(C~4~H~5~N~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","332","334","","","","0.71073","MoKα","","0.0899","0.0361","","","0.0718","0.0809","","","","","","0.863","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102002","14.636","0.002","16.807","0.002","19.131","0.002","90","","102.981","0.001","90","","4585.7","1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,17-bis(N-tert-butylhydroxyamine)-25,26,27,28-tetrapropoxycalix[4]arene","","- C48 H66 N2 O6 -","- C48 H66 N2 O6 -","- C192 H264 N8 O24 -","4","1","","Hu, X.-J.; Yang, H.-J.; Liu, J.-K.; Zhang, H.; Li, Y.; Luo, Y.-H.; Wang, R.-J.","Crystal structure of 5,17-bis(N-tert-butylhydroxy-amine)-25,26,27, 28-tetrapropoxycalix[4]arene, C~48~H~66~N~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","329","331","10.1515/ncrs.2006.0096","","","0.71073","MoKα","","0.1329","0.0696","","","0.143","0.1597","","","","","","1.033","","","","has coordinates,has disorder","209540","2020-10-21","18:00:00",""
"8102003","14.147","0.003","5.8897","0.0011","16.221","0.003","90","","103.271","0.012","90","","1315.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-[(1,10-phenanthroline)(μ~3~-molybdato(VI))copper(II)] monohydrate","","- C12 H10 Cu Mo N2 O5 -","- C12 H10 Cu Mo N2 O5 -","- C48 H40 Cu4 Mo4 N8 O20 -","4","1","","Peng, Z.-S.; Jiang, W.-J.; Deng, Q.; Long, Y.-F.; Cai, T.-J.","Refinement of the crystal structure of catena-[(1,10-phenanthroline- N,N')-(μ^3^-molybdato(VI))copper(II)] monohydrate, Cu(C~2~H~10~N~2~) (MoO~4~) · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","335","336","","","","0.71073","MoKα","","0.0287","0.0228","","","0.0575","0.0606","","","","","","1.043","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102004","12.5632","0.0006","4.3769","0.0002","14.8059","0.0008","90","","104.213","0.002","90","","789.22","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-[6-(2-formylphenoxy)-2,4-hexadiynyloxy]benzaldehyde","","- C20 H14 O4 -","- C20 H14 O4 -","- C40 H28 O8 -","2","0.5","","Werz, D. B.; Balalaie, S.; Rominger, F.; Oloumi, Z.","Crystal structure of 2-[6-(2-formylphenoxy)-2,4-hexadiynyloxy]benzaldehyde, C~20~H~14~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","339","340","","","","0.71073","MoKα","","0.0885","0.0533","","","0.1288","0.1446","","","","","","1.095","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102005","8.6795","0.0017","8.8771","0.0018","9.2728","0.0019","81.28","0.03","86.26","0.03","70.48","0.03","665.5","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","2'-hydroxyacetophenone nicotinoylhydrazone monohydrate","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C28 H30 N6 O6 -","2","1","","Tai, X.-S.; Kong, F.-Y.","Crystal structure of 2'-hydroxyacetophenone nicotinoyl-hydrazone monohydrate, C~14~H~15~N~3~O~3~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","341","342","","","","0.71073","MoKα","","0.0869","0.0642","","","0.1625","0.1769","","","","","","1.048","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102006","8.9863","0.0015","13.168","0.002","13.243","0.002","90","","108.677","0.002","90","","1484.5","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethanolammonium dioxo-(N-(2-ethanolato)-2-oxy-3-methoxybenzaldiminato-O,N,O')vanadate(V)","","- C12 H19 N2 O6 V -","- C12 H19 N2 O6 V -","- C48 H76 N8 O24 V4 -","4","1","","Feng, J.-N.; Zhou, Y.-Z.; Zhu, H.-J.; Tu, S.-J.","Crystal structure of ethanolammonium dioxo-(N-(2-ethanolato)-2-oxy- 3-methoxybenzaldiminato-O,N,O')-vanadate(V), (NH~3~CH~2~CH~2 ~OH) [VO~2~{(C~6~H~4~(OCH~3~)(O)CHNCCH~2~CH~2~O}]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","343","344","","","","0.71073","MoKα","","0.0446","0.0312","","","0.0758","0.0834","","","","","","1.039","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102007","8.181","0.003","10.303","0.005","9.073","0.006","90","","103.2","0.1","90","","744.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(ethylenediammonium-N,N'-di-3-propionic acid) tetrachloroplatinate(II)","","- C8 H18 Cl4 N2 O4 Pt -","- C8 H18 Cl4 N2 O4 Pt -","- C16 H36 Cl8 N4 O8 Pt2 -","2","0.5","","Kaluderovic, G. N.; Bogdanovic, G. A.; Sabo, T. J.","Crystal structure of ethylenediammonium-N,N'-di-3-propionic acid tetrachloroplatinate(II), (CH~2~NH~2~(CH~2~)~2~COOH)~2~[PtCl~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","345","346","","","x-ray","0.71073","MoKα","","0.0827","0.0797","","","0.2378","0.247","","","","","","1.193","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102008","5.6406","0.0008","30.292","0.004","16.925","0.003","90","","90","","90","","2891.9","0.8","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","rel-(3aR,6aS)-6-methyl-3,6a-diphenyl-3a,4,6,6a-tetrahydro- isoxazolo[5,4-c]isoxazole","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","2","","Frey, W.; Shiva, S.; Jäger, V.","Crystal structure of rel-(3aR,6aS)-6-methyl-3,6a-di-phenyl-3a,4,6, 6a-tetrahydro-isoxazolo[5,4-c]isoxazole, C~17~H~16~N~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","349","351","","","","1.54178","CuKα","","0.136","0.0836","","","0.1927","0.2355","","","","","","1.009","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102009","12.29","0.0009","13.3249","0.0012","10.4821","0.0012","90","","102.69","0.01","90","","1674.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rel-(3aR,4S 6aS)-4-chloromethyl-6-methyl-3,6a-diphenyl- 3a,4,6,6a-tetrahydro-isoxazolo[5,4-c]isoxazole","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","","Frey, W.; Shiva, S.; Jäger, V.","Crystal structure of rel-(3aR,4S,6aS)-4-chloromethyl-6-methyl-3,6a- diphenyl-3a,4,6,6a-tetrahydro-isoxazolo-[5,4-c]isoxazole, C~18~H~17~ClN~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","347","348","","","","1.54178","CuKα","","0.0772","0.0527","","","0.1346","0.162","","","","","","1.014","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102010","8.542","0.002","11.643","0.001","13.658","0.002","90","","107.95","0.01","90","","1292.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-butyl-6-nitro-2H-1,4-benzothiazin-3-one","","- C12 H14 N2 O3 S -","- C12 H14 N2 O3 S -","- C48 H56 N8 O12 S4 -","4","1","","De Simone, C. A.; Guarda, V. L. M.; Galdino, S. L.; Pitta, I. R.","Crystal structure of 4-butyl-6-nitro-2H-1,4-benzothiazin-3-one, C~12~H~14~N~2~O~3~S","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","357","358","","","x-ray","1.54184","Cukα","","0.0387","0.0347","","","0.091","0.0937","","","","","","1.081","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102011","7.239","0.001","15.838","0.001","10.099","0.001","90","","91.991","0.006","90","","1157.2","0.2","109","2","109","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Zardaverine","6-(4-difluoromethoxy-3-methoxyphenyl)-3(2H)-pyridazinone","","- C12 H10 F2 N2 O3 -","- C12 H10 F2 N2 O3 -","- C48 H40 F8 N8 O12 -","4","1","","Doyle, C. R.; Zimmerman, M. D.; Chruszcz, M.; Cymborowski, M.; Gawlicka-Chruszcz, A.; Minor, W.","Crystal structure of 6-(4-difluoromethoxy-3-methoxy-phenyl)-3(2H)- pyridazinone, C~12~H~10~F~2~N~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","359","360","","single crystal","x-ray","1.54179","CuKα","K-L~2,3~","0.0354","0.0325","","","0.0907","0.0932","","","","","","1.04","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102012","11.548","0.002","12.532","0.003","13.661","0.003","95.34","0.03","112.6","0.03","103.23","0.03","1740.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(1,10-phenanthroline-N,N')bis(2-chloro-benzoato)lead(II),","","- C38 H29 Cl2 N4 O6.5 Pb -","- C38 H29 Cl2 N4 O6.5 Pb -","- C76 H58 Cl4 N8 O13 Pb2 -","2","1","","Guo, H.-M.; Zhang, B.-S.; Wang, Y.-H.","Crystal structure of bis(1,10-phenanthroline-N,N')bis(2-chlorobenzoato) lead(II) hydrate (1:2.5), [Pb(C~7~H~4~O~2~Cl)~2~(C~12~H~8~N~2~)~2~] · 2.5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","352","354","","","","0.71073","MoKα","","0.054","0.0367","","","0.0777","0.0821","","","","","","1.006","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102013","9.4943","0.0019","10.231","0.002","11.996","0.002","82.84","0.03","85.53","0.03","70.25","0.03","1087.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-bipyridine-N,N')bis(2-fluorobenzoato)lead(II)","","- C24 H16 F2 N2 O4 Pb -","- C24 H16 F2 N2 O4 Pb -","- C48 H32 F4 N4 O8 Pb2 -","2","1","","Zhang, B.-S.","Crystal structure of (2,2'-bipyridine-N,N')bis(2-fluorobenzoato)lead (II), Pb(C~7~H~4~O~2~F)~2~(C~10~H~8~N~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","355","356","","","","0.71073","MoKα","","0.0327","0.0273","","","0.0604","0.0626","","","","","","1.035","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102014","10.817","0.002","11.463","0.002","13.025","0.002","90","","90","","90","","1615","0.5","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","sinoacutine","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Wang, X.-L.","Refinement of the crystal structure of sinoacutine, C~19~H~21~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","361","362","","","","0.71073","MoKα","","0.0592","0.0381","","","0.0779","0.0831","","","","","","0.981","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102015","11.8626","0.0013","13.9595","0.0015","14.0048","0.0016","90","","103.99","0.002","90","","2250.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","aquachloro[N,N'-bis(3-ethoxysalicylidene)ethylenediiminato]manganese(III) dihydrate","","- C20 H28 Cl Mn N2 O7 -","- C20 H28 Cl Mn N2 O7 -","- C80 H112 Cl4 Mn4 N8 O28 -","4","1","","Hwang, I.-C.; Ha, K.","Crystal structure of aquachloro[N,N'-bis(3-ethoxy-salicylidene)ethylenediiminato] manganese(III) dihydrate, [Mn(C~20~H~22~N~2~O~4~)Cl(H~2~O)] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","363","364","","","","0.71073","MoKα","","0.0738","0.0614","","","0.16","0.1695","","","","","","1.095","","","","has coordinates","200426","2020-10-21","18:00:00",""
"8102016","8.8015","0.0011","22.493","0.003","9.8854","0.0012","90","","97.163","0.002","90","","1941.8","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(phenanthroline-N,N')-N-carbamoylmethyl-iminodiacetato-copper(II) dihydrate","","- C18 H20 Cu N4 O7 -","- C18 H20 Cu N4 O7 -","- C72 H80 Cu4 N16 O28 -","4","1","","Cheng, M.-Q.; Ma, L.-F.; Wang, L.-Y.","Crystal structure of (phenanthroline-N,N')-N-carbamoyl-methyliminodiacetato- copper(II) dihydrate, [Cu(C~6~H~8~N~2~)(C~12~H~8~N~2~)] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","369","371","","","","0.71073","MoKα","","0.0412","0.0332","","","0.0909","0.0962","","","","","","1.056","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102017","12.305","0.0012","12.4716","0.0012","16.591","0.002","101.92","0.002","104.63","0.002","111.703","0.001","2157.8","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","tetraaqua-bis(norfloxacin)barium(II) 1,4-benzenedicarboxylate hydrate","","- C40 H48 Ba F2 N6 O15 -","- C40 H48 Ba F2 N6 O15 -","- C80 H96 Ba2 F4 N12 O30 -","2","1","","An, Z.; Wang, R.-S.","Crystal structure of tetraaqua-bis(norfloxacin)barium(II) 1,4-benzenedicarboxylate hydrate, [Ba(H~2~O)~4~(C~16~H~17~FN~3~O~3~)~2~][C~6~H~4~(COO)~2~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","372","374","","","","0.71073","MoKα","","0.0561","0.0538","","","0.1664","0.1698","","","","","","1.096","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102018","10.029","0.002","11.561","0.002","11.689","0.002","106.331","0.003","107.874","0.003","99.092","0.003","1192.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","aquachloro[N,N'-bis(3-ethoxysalicylidene)propylenediiminato]manganese(III) dihydrate","","- C21 H30 Cl Mn N2 O7 -","- C21 H26 Cl Mn N2 O7 -","- C42 H52 Cl2 Mn2 N4 O14 -","2","1","","Hwang, I.-C.; Ha, K.","Crystal structure of aquachloro[N,N'-bis(3-ethoxy-salicylidene)propylenediiminato] manganese(III) dihydrate, [Mn(C~21~H~24~N~2~O~4~)Cl(H~2~O)] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","365","366","","","","0.71073","MoKα","","0.0954","0.071","","","0.222","0.2375","","","","","","1.011","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102019","13.061","0.002","6.508","0.001","16.963","0.004","90","","112.2","0.01","90","","1335","0.4","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","caffeinium perchlorate monohydrate","","- C8 H13 Cl N4 O7 -","- C8 H11 Cl N4 O7 -","- C32 H44 Cl4 N16 O28 -","4","1","","Wang, W.-D.; Wang, H.; Feng, W.-J.; Jin, Z.-M.; Hu, M.-L.","Crystal structure of caffeinium perchlorate monohydrate, (C~8~H~11~N~4~O~2~) [ClO~4~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","375","376","","","","0.71073","MoKα","","0.0983","0.0682","","","0.2079","0.2277","","","","","","1.023","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102020","8.3985","0.0017","8.1443","0.0016","7.8362","0.0016","90","","116.56","0.03","90","","479.4","0.2","120","2","","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","(acetonitrile-N)copper(I) cyanide, Cu(CH3CN)(CN)","","- C3 H3 Cu N2 -","- C3 H3 Cu N2 -","- C12 H12 Cu4 N8 -","4","1","","Keller, H.-L.; Oldag, T.","Crystal structure of (acetonitrile-N)copper(I) cyanide, [Cu(CH~3~CN)] [CN]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","377","378","","","","0.71073","MoKα","","","0.0238","","","","0.0591","","","","","","1.19","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102021","6.9056","0.0014","7.371","0.0015","8.7838","0.0018","80.67","0.03","82.27","0.03","73.3","0.03","420.75","0.17","150","2","","","","","","","","","synthesis as described","4","P -1","-P 1","2","","dicyano-(N-(1-iminoethyl)acetamidine)palladium(II)","","- C6 H9 N5 Pd -","- C6 H9 N5 Pd -","- C12 H18 N10 Pd2 -","2","1","","Keller, H.-L.; Oldag, T.","Crystal structure of dicyano(N-(1-iminoethyl)-acetamidine)palladium (II), Pd(CN)~2~(C~4~H~9~N~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","379","380","","","","0.71073","MoKα","","","0.0566","","","","0.0776","","","","","","1.074","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102022","5.437","0.005","32.564","0.005","10.922","0.005","90","0.005","99.818","0.005","90","0.005","1905","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 N2 O12 -","- C44 H42 N2 O12 -","- C88 H84 N4 O24 -","2","0.5","","Le Bras, G.; Bekaert, A.; Viossat, B.; Peyrat, J.-F.; Alami, M.; Brion, J. D.; Lemoine, P.","Crystal structure of cyclonovobiocin, C~44~H~42~N~2~O~12~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","381","382","","","","0.71073","MoKα","","0.0767","0.0518","","","0.1537","0.1738","","","","","","1.213","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102023","10.589","0.002","10.007","0.002","19.662","0.004","90","","100.85","0.03","90","","2046.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[H~2~(1,3-bis(4-pyridyl)propane)][β-hexacosaoxooctamolybdate(VI)]","","- C26 H32 Mo8 N4 O26 -","- C26 H32 Mo8 N4 O26 -","- C52 H64 Mo16 N8 O52 -","2","0.5","","Wang, C.-C.","Crystal structure of bis[(1,3-bis(4-pyridinium)-propane)][β- hexacosaoxooctamolybdate(VI)], (C~13~H~16~N~2~)~2~[Mo~8~O~26~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","388","390","","","","0.71073","MoKα","","0.0257","0.0232","","","0.0551","0.056","","","","","","1.08","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102024","14.855","0.015","6.15","0.01","17.756","0.019","90","","104.23","0.04","90","","1572","3","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cd N2 O7 -","- C14 H18 Cd N2 O7 -","- C56 H72 Cd4 N8 O28 -","4","1","","Cao, F.-Q.; Wang, Y.; Okabe, N.; Odoko, M.","Crystal structure of aquabis(4-aminobenzoato)cadmium dihydrate, Cd (H~2~O)(NH~2~C~6~H~4~COO)~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","395","397","","","","0.7107","MoKα","","","0.049","","","","0.121","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8102025","21.908","0.002","13.9319","0.0015","8.7971","0.0009","90","","101.952","0.002","90","","2626.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-benzoyl-4,4-dimethyl-2-methylamino-2-thiazoline","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C104 H128 N16 O8 S8 -","8","1","","Lee, Y. B.; Kim, T. H.; Hwang, I.-C.; Ha, K.","Crystal structure of N-benzoyl-4,4-dimethyl-2-methyl-amino-2-thiazoline, C~13~H~16~N~2~OS","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","367","368","","","","0.71073","MoKα","","0.0603","0.0413","","","0.1054","0.113","","","","","","0.94","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102026","14.018","0.0008","9.871","0.0012","14.929","0.0013","90","","101.528","0.007","90","","2024.1","0.3","191","2","191","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dicyclohexyl-2,2'-dipyridylamidophosphane","","- C22 H30 N3 P -","- C22 H30 N3 P -","- C88 H120 N12 P4 -","4","1","","Maisel, H.; Glatz, G.; Irrgang, T.; Kempe, R.","Crystal structure of dicyclohexyl-2,2'-dipyridylamido-phosphane, C~22~H~30~N~3~P","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","411","412","","","","0.71069","MoKα","","0.0925","0.055","","","0.1092","0.1207","","","","","","0.983","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102027","12.416","0.002","13.668","0.003","13.172","0.003","90","","113.83","0.03","90","","2044.7","0.9","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis(1,3-di[{4-methyl-pyridin-2-yl}amido]-1,1,3,3- tetramethyldisiloxane)dichromium dichloride","","- C32 H48 Cl2 Cr2 N8 O2 Si4 -","- C32 H48 Cl2 Cr2 N8 O2 Si4 -","- C64 H96 Cl4 Cr4 N16 O4 Si8 -","2","0.5","","Irrgang, T.; Spannenberg, A.; Kempe, R.","Crystal structure of bis(1,3-bis[{4-methyl-pyridin-2-yl}-amido]-1, 1,3,3-tetramethyldisiloxane)dichromium dichloride, [(C~16~H~24~N~4~OSi~2~) CrCl]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","413","414","","","","0.71073","MoKα","","0.0879","0.0523","","0.1202","0.1102","","","","0.827","1.017","1.017","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102028","3.6677","0.0011","30.046","0.009","38.877","0.012","90","","90","","90","","4284","2","273","2","273","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","bis(1,10-phenanthroline-N,N')silver(I) mononitrate","","- C24 H16 Ag N5 O3 -","- C24 H16 Ag N5 O3 -","- C192 H128 Ag8 N40 O24 -","8","0.25","","Li, P.-G.; Wang, Q.-L.; Li, D.-S.; Fu, F.; Qi, G.-C.","Crystal structure of bis(1,10-phenanthroline-N,N')silver(I) mononitrate, [Ag(C~12~H~8~N~2~)~2~][NO~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","391","392","","","","0.71073","MoKα","","0.1355","0.0638","","","0.1661","0.1975","","","","","","0.849","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102029","16.466","0.005","14.969","0.005","12.003","0.004","90","","132.4","0.01","90","","2184.7","1.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","tetra(2-aminopyrimidine)dimethanolato-dicobalt(II) diperchlorate","","- C18 H26 Cl2 Co2 N12 O10 -","- C18 H26 Cl2 Co2 N12 O10 -","- C36 H52 Cl4 Co4 N24 O20 -","2","0.25","","Xu, S.-P.; Liu, C.-H.; Zhu, Y.","Crystal structure of tetra(2-aminopyrimidine)di-methanolato-dicobalt (II) diperchlorate, [Co~2~(CH~3~O)~2~(C~4~H~5~N~3~)~4~][ClO~4~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","401","402","","","","0.71073","MoKα","","0.0686","0.0532","","","0.1756","0.1876","","","","","","1.142","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102030","16.341","0.006","14.796","0.002","12.051","0.004","90","","132.36","0.01","90","","2153","1.2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","tetra(2-aminopyrimidine)dimethanolato-dinickel(II) di(tetrafluoroborate)","","- C18 H26 B2 F8 N12 Ni2 O2 -","- C18 H26 B2 F8 N12 Ni2 O2 -","- C36 H52 B4 F16 N24 Ni4 O4 -","2","0.25","","Xu, S.-P.; Liu, C.-H.; Cao, P.","Crystal structure of tetra(2-aminopyrimidine)di-methanolato-dinickel (II) di(tetrafluoroborate), [Ni~2~(CH~3~O)~2~(C~4~H~5~N~3~)~4~][BF~4~] ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","403","404","","","","0.71073","MoKα","","0.0819","0.0626","","","0.1808","0.2008","","","","","","1.109","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102031","13.75","0.003","7.288","0.0015","15.14","0.003","90","","90","","90","","1517.2","0.5","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","pentamethylpyrylium triiodide","","- C10 H15 I3 O -","- C10 H15 I3 O -","- C40 H60 I12 O4 -","4","0.5","","Guo, S.; Hauptmann, R.; Beyer, C.; Kollmann, T.; Schneider, J. J.","Crystal structure of pentamethylpyrylium triiodide, [(CH~3~)~5~C~5~O] [I~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","393","394","","","","0.71073","MoKα","","0.0386","0.0313","","","0.0642","0.0713","","","","","","1.302","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102032","9.481","0.001","12.073","0.001","30.079","0.005","90","","90","","90","","3443","0.7","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","(N-t-butyl-3,4-diphenyl-1,2-oxazetidin-4-yl)methanol","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C152 H184 N8 O16 -","8","2","","Florio, S.; Capriati, V.; Luisi, R.; Salomone, A.; Cuocci, C.","Crystal structure of (N-tert-butyl-3,4-diphenyl-1,2-oxazetidin-4-yl) methanol, C~19~H~23~NO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","398","400","","","","0.71073","MoKα","","0.1396","0.0771","","","0.1813","0.2173","","","","","","1.03","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102033","8.997","0.002","6.781","0.002","21.398","0.006","90","","91.81","0.01","90","","1304.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(1,3-diaminepropane)carbonatomanganese(III) chloride monohydrate","","- C7 H22 Cl Mn N4 O4 -","- C7 H22 Cl Mn N4 O4 -","- C28 H88 Cl4 Mn4 N16 O16 -","4","1","","Xu, S.-P.; Liu, C.-H.; Shao, J.","Crystal structure of bis(1,3-diaminepropane)carbonato-manganese(III) chloride monohydrate, [Mn(C~3~H~10~N~2~)~2~(CO~3~)]Cl · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","405","406","","","","0.71073","MoKα","","0.0626","0.0468","","","0.1212","0.132","","","","","","1.036","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102034","10.16","0.003","10.139","0.004","16.008","0.003","90","","93.06","0.01","90","","1646.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-terephthalatobis[bis(1,3-diaminopropane)manganese(II)] diperchlorate","","- C20 H44 Cl2 Mn2 N8 O12 -","- C20 H44 Cl2 Mn2 N8 O12 -","- C40 H88 Cl4 Mn4 N16 O24 -","2","0.5","","Xu, S.-P.; Liu, C.-H.; Zhu, C.-H.","Crystal structure of μ-terephthalatobis[bis(1,3-diamino-propane) manganese(II)] diperchlorate, [Mn~2~{C~3~H~6~(NH~2~)~2~}~4~{C~6~H~4~ (COO)~2~}][ClO~4~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","407","408","","","","0.71073","MoKα","","0.0997","0.0686","","","0.1865","0.2105","","","","","","1.082","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102035","9.4","0.004","19.203","0.005","12.112","0.005","90","","92.33","","90","","2184.5","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","acetato-μ-N,N'-bis(salicylidene)-3-methyl-3-aza-1,5-pentanediaminocobalt(III)","","- C23 H28 Co N3 O4 -","- C23 H28 Co N3 O4 -","- C92 H112 Co4 N12 O16 -","4","1","","Xu, S.-P.; Liu, C.-H.; Wang, S.-F.","Crystal structure of acetato-μ-N,N'-bis(salicylidene)-3-methyl- 3-aza-1,5-pentanediaminocobalt(III), Co(C~2~H~3~O~2~)(C~21~H~25~N~3~O~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","409","410","","","","0.71073","MoKα","","0.0866","0.0657","","","0.1836","0.202","","","","","","1.035","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102036","12.036","0.0006","18.804","0.0009","21.581","0.0011","69.448","0.004","75.278","0.004","88.159","0.004","4414.5","0.4","191","2","191","2","","","","","","","","5","P -1","-P 1","2","","tetrakis[(4-methyl-pyridin-2-yl)-trimethylsilanyl-amido]zirconium(IV)","","- C36 H60 N8 Si4 Zr -","- C36 H60 N8 Si4 Zr -","- C144 H240 N32 Si16 Zr4 -","4","2","","Noor, A.; Irrgang, T.; Kempe, R.","Crystal structure of tetrakis[(4-methyl-pyridin-2-yl)tri-methylsilanyl- amido]zirconium(IV), Zr(C~9~H~15~N~2~Si)~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","415","418","","","","0.71069","MoKα","","0.044","0.0354","","","0.0909","0.101","","","","","","1.08","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102037","9.9973","0.0005","9.0433","0.0004","19.4849","0.0008","90","","101.235","0.002","90","","1727.84","0.14","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","aquabis(acrylato-O,O')(1,10-phenanthroline-N,N')cadmium(II)","","- C18 H15 Cd N2 O5 -","- C18 H15 Cd N2 O5 -","- C72 H60 Cd4 N8 O20 -","4","1","","Cai, T.-J.; Jiang, W.-J.; Peng, Z.-S.; Long, Y.-F.; Deng, Q.","Crystal structure of aquabis(acrylato-O,O')(1,10-phenanthroline-N, N')cadmium(II), Cd(H~2~O)(C~3~H~3~O~2~)~2~(C~12~H~10~N~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","421","422","","","","0.71073","MoKα","","0.0316","0.0246","","","0.0605","0.0654","","","","","","1.033","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102038","6.5566","0.0006","9.0679","0.0011","25.316","0.0018","90","","90","","90","","1505.2","0.3","258","2","258","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","di-n-pentyltindichloride","","- C10 H22 Cl2 Sn -","- C10 H22 Cl2 Sn -","- C40 H88 Cl8 Sn4 -","4","1","","Reuter, H.; Izaaryene, M.","Crystal structure of dichloro-bis(n-pentyl)tin(IV), Sn(C~5~H~11~)~2~Cl~2~, tin-halide compounds - part VI","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","423","424","","","","0.71073","MoKα","","0.0671","0.0624","","","0.1605","0.1671","","","","","","1.074","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102039","16.4841","0.0009","9.6845","0.0007","13.0227","0.0009","90","","127.309","0.002","90","","1653.55","0.19","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(pyridin-2-yl)disulfide triiodide","","- C10 H9 I3 N2 S2 -","- C10 H9 I3 N2 S2 -","- C40 H36 I12 N8 S8 -","4","0.5","","Chen, L.","Crystal structure of bis(pyridin-2-yl)disulfide hydrotriiodide, [C~10~H~9~N~2~S~2~][I~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","443","444","","","","0.71073","MoKα","","","0.0683","","","0.1524","0.1791","","","","","","1.05","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102040","7.7703","0.0007","7.7228","0.0007","41.207","0.004","90","","91.627","0.001","90","","2471.8","0.4","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetraaqua-cis-bis(N-2-nitrobenzenesulfonylglycinato)manganese(II)","","- C16 H22 Mn N4 O16 S2 -","- C16 H22 Mn N4 O16 S2 -","- C64 H88 Mn4 N16 O64 S8 -","4","1","","Ma, L.-F.; Zhong, F.; Zhang, G.-Y.","Crystal structure of tetraaqua-cis-bis(N-2-nitrobenzenesulfonylglycinato) manganese(II), Mn(H~2~O)~4~(C~8~H~7~N~2~O~6~S)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","457","459","","","","0.71073","MoKα","","0.061","0.0505","","","0.1224","0.1281","","","","","","1.154","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102041","8.6496","0.0006","9.624","0.0007","13.7224","0.0009","100.865","0.005","100.956","0.005","93.997","0.006","1094.76","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","diaqua-bis((E)-4-hydroxy-3-((2-hydroxyethylimino)methyl)-5- (morpholinomethyl)benzenesulfonato)dicopper(II) diperchlorate hexahydrate","","- C28 H54 Cl2 Cu2 N4 O28 S2 -","- C28 H54 Cl2 Cu2 N4 O28 S2 -","- C28 H54 Cl2 Cu2 N4 O28 S2 -","1","0.5","","Shi, X.-Y.; Wei, J.-F.","Crystal structure of diaqua-bis((E)-4-hydroxy-3-((2-hydroxyethylimino)- methyl)-5-(morpholinomethyl)-benzenesulfonato)dicopper(II) diperchlorate hexahydrate, [Cu~2~(H~2~O)~2~(C~14~H~19~N~2~O~3~SO~3~)~2~][ClO~4~] ~2~ · 6H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","445","446","","","","0.71073","MoKα","","0.0712","0.0581","","","0.1642","0.175","","","","","","1.064","","","","has coordinates","210358","2020-10-21","18:00:00",""
"8102042","6.2054","0.0008","28.788","0.004","5.0063","0.0006","90","","90","","90","","894.3","0.2","293","2","293","2","","","","","","","","5","P n n 2","P 2 -2n","34","","4,4'-dibromo-2,2'-[(1,3-propylidene)dioxybis(nitrilomethylidyne)]diphenol","","- C17 H16 Br2 N2 O4 -","- C17 H16 Br2 N2 O4 -","- C34 H32 Br4 N4 O8 -","2","0.5","","Dong, W.-K.; Feng, J.-H.; Yang, X.-Q.","Crystal structure of 4,4'-dibromo-2,2'-((1,3-propylene)-dioxybis (nitrilomethylidyne))diphenol, C~16~H~16~Br~2~N~2~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","447","448","","","","0.71073","MoKα","","0.0436","0.0326","","","0.0638","0.068","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8102043","7.846","0.005","9.668","0.006","11.53","0.007","90","","98.308","0.012","90","","865.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dichloro[(1,2,5,6-η)-1,3,5,7-cyclooctatetraene]platinum(II)","","- C8 H8 Cl2 Pt -","- C8 H8 Cl2 Pt -","- C32 H32 Cl8 Pt4 -","4","1","","Song, A.-R.; Hwang, I.-C.; Ha, K.","Crystal structures of dichloro((1,2,5,6-η)-1,3,5,7-cyclooctatetraene) platinum(II), PtCl~2~(C~8~H~8~), and diiodo((1,2,5,6-η)-1,3, 5,7-cyclooctatetraene)platinum(II), PtI~2~(C~8~H~8~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","465","467","","","","0.71073","MoKα","","0.0418","0.0392","","","0.0979","0.0993","","","","","","1.028","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102044","12.088","0.002","6.8997","0.0012","22.655","0.004","90","","92.964","0.003","90","","1887","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-aminoethethylammonium [(2-oxyacetophenone benzoylhydrazonato)dioxovanadate]","","- C17 H21 N4 O5 V -","- C17 H21 N4 O5 V -","- C68 H84 N16 O20 V4 -","4","1","","Zhou, Y.-Z.; Zhang, X.-M.; Feng, J.-N.","Crystal structure of 2-aminoethylammonium (2-oxyacetophenone benzoylhydrazonato)dioxovanadate(V), [H~2~N(CH~2~)~2~NH~3~][VO~2~(C~15~H~12~N~2~O~3~)]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","449","450","","","","0.71073","MoKα","","0.0634","0.0372","","","0.0899","0.1049","","","","","","1.055","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102045","22.9226","0.0006","27.208","0.0008","6.555","0.0001","90","","90","","90","","4088.21","0.17","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","bis(5-ammonioisophthalic acid) sulfate dihydrate","","- C16 H20 N2 O14 S -","- C16 H20 N2 O14 S -","- C128 H160 N16 O112 S8 -","8","1","","Wang, G.-X.; Zhang, Q.-W.","Crystal structure of bis(5-ammonioisophthalic acid) sulfate dihydrate, (C~8~H~8~NO~4~)~2~[SO~4~] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","453","454","","","","0.71073","MoKα","","0.1382","0.0829","","","0.1515","0.1765","","","","","","1.224","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102046","9.7786","0.0013","9.7786","0.0013","30.975","0.004","90","","90","","90","","2961.9","0.7","291","1","291","1","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","N,N,N',N',N"",N""-hexakis-(2-methylallyl)-[1,3,5]-triazin-2,4,6-triamine","","- C27 H42 N6 -","- C27 H42 N6 -","- C108 H168 N24 -","4","0.5","","Ricken, S.; Koç, F.; Schürmann, M.; Preut, H.; Eilbracht, P.","Crystal structure of N,N,N',N',N'',N''-hexakis(2-methylallyl)-[1,3, 5]-triazin-2,4,6-triamine, C~27~H~42~N~6~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","455","456","","","","0.71073","MoKα","","0.2658","0.0351","","","0.0526","0.0807","","","","","","1.115","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102047","11.249","0.003","7.0199","0.0016","12.043","0.003","90","","112.693","0.003","90","","877.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetraaqua-bis(3-(3-acrylato)pyridyl-N)zinc(II)","","- C16 H20 N2 O8 Zn -","- C16 H20 N2 O8 Zn -","- C32 H40 N4 O16 Zn2 -","2","0.5","","Tang, L.; Li, D.-S.; Fu, F.; Li, J.; Zhao, X.-Z.; Wang, J.-W.","Crystal structure of tetraaqua-bis(3-(3-acrylato)pyridyl-N)zinc(II), Zn(H~2~O)~4~(C~8~H~6~O~2~N)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","441","442","","","","0.71073","MoKα","","0.0419","0.0297","","","0.0699","0.0781","","","","","","1.06","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102048","8.9542","0.0014","21.265","0.003","21.77","0.003","90","","92.272","0.002","90","","4142","1","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(μ-4,4'-bipyridine-N,N')bis(N,N'-ethylene-bis(salicylaldiminato))dizinc(II) methanol solvate","","- C44 H44 N6 O6 Zn2 -","- C44 H44 N6 O6 Zn2 -","- C176 H176 N24 O24 Zn8 -","4","1","","Feng, X.; Wang, Y.-F.; Wang, L.-Y.","Crystal structure of (μ-4,4'-bipyridine-N,N')bis(N,N'-ethylene- bis(salicylaldiminato))dizinc(II) methanol disolvate, Zn~2~(C~10~H~8~N~2~) (C~16~H~14~N~2~O~2~)~2~ · 2CH~3~OH","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","460","462","","","","0.71073","MoKα","","0.1146","0.0785","","","0.2375","0.2562","","","","","","1.045","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102049","9.9317","0.0008","11.1822","0.0005","29.204","0.003","90","","90","","90","","3243.3","0.4","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-(3-acetyl-1-(4-bromophenyl)-5-[(R)-4-chlorophenyl]-1,2,4-triazolo-4-yl)- 2-deoxy-1,3,4,6-tetraacetyl-β-D-glucose","","- C30 H31 Br Cl N3 O10 -","- C30 H31 Br Cl N3 O10 -","- C120 H124 Br4 Cl4 N12 O40 -","4","1","","Abdel-Jalil, R. J.; Voelter, W.; Maichle-Mössmer, C.; Baqi, Y.; Machulla, H.-J.","Crystal structure of 2-(3-acetyl-1-(4-bromophenyl)-5-((R)-4-chlorophenyl)- 1,2,4-triazolo-4-yl)-2-deoxy-1,3,4,6-tetraacetyl-β-D-glucose, C~30~H~31~BrClN~3~O~10~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","463","464","","","","1.54184","CuKα","","0.0984","0.0609","","","0.1498","0.1721","","","","","","1.021","","","","has coordinates","211332","2020-10-21","18:00:00",""
"8102050","21.9985","0.0013","18.2546","0.0013","18.3326","0.0014","90","","121.959","0.001","90","","6246","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(μ-2-oxyphenyl)-1-(2-(μ-2-oxybenzyl)aminoethyl)-3-(2-(2-oxybenzyl)- bis(aminoethyl))imidazolidine-dicopper(II) nitrate trihydrate","","- C29 H38 Cu2 N6 O9 -","- C29 H38 Cu2 N6 O9 -","- C232 H304 Cu16 N48 O72 -","8","1","","Du, Q.-Y.; Wang, J.-G.; Qin, J.-H.; Ju, F.-Y.","Crystal structure of 2-(μ-2-oxyphenyl)-1-(2-(μ-2-oxy- benzyl)aminoethyl)-3-(2-(2-oxybenzyl)-bis(aminoethyl))-imidazolidine- dicopper(II) nitrate trihydrate, [Cu~2~(C~29~H~32~N~5~O~3~)][NO~3~] · 3H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","489","491","","","","0.71073","MoKα","","0.0416","0.0351","","","0.0993","0.1045","","","","","","1.053","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102051","12.886","0.004","10.226","0.003","26.694","0.007","90","","90","","90","","3517.5","1.8","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(1-naphthylmethyl)-6-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]-thiadiazine","","- C21 H16 N4 S -","- C21 H16 N4 S -","- C168 H128 N32 S8 -","8","1","","Lei, X.-X.; Chen, Z.-F.; Zhang, L.-X.; Zhang, A.-J.","Crystal structure of 3-(1-naphthylmethyl)-6-phenyl-7H-1,2,4-triazolo [3,4-b][1,3,4]-thiadiazine, C~21~H~16~N~4~S","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","475","476","","","","0.71073","MoKα","","0.0864","0.0769","","","0.2501","0.2574","","","","","","1.214","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102052","10.6209","0.0013","5.2855","0.0006","15.4268","0.0019","90","","106.689","0.002","90","","829.53","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2-hydroxy-3-methoxybenzyl)oxalamide","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C36 H40 N4 O12 -","2","0.5","","Zhang, M.-L.; Bai, H.-J.; Xin, F.-G.; Wang, Z.-L.","Crystal structure of N,N'-bis(2-hydroxy-3-methoxy-benzyl)oxalamide, C~18~H~20~N~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","473","474","","","","0.71073","MoKα","","0.0577","0.0433","","","0.0984","0.1067","","","","","","1.037","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102053","8.162","0.0011","10.9586","0.0016","29.056","0.004","90","","90","","90","","2598.9","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","stigmasta-4,25-diene-3β,6β-diol","","- C29 H48 O2 -","- C29 H48 O2 -","- C116 H192 O8 -","4","1","","He, Z.-Z.; Lei, X.-X.; Zhou, Y.; Sun, J.-Z.; Zhang, A.-J.","Crystal structure of stigmasta-4,25-diene-3b,6b-diol, C~29~H~48~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","477","478","","","","0.71073","MoKα","","0.1228","0.108","","","0.225","0.2337","","","","","","1.239","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102054","15.399","0.0013","11.646","0.001","14.849","0.0012","90","","117.659","0.004","90","","2358.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(7a'SR)-7a'-prop-2-ynyl-1',2',4',6',7',7a'-hexahydrospiro[1,3-dioxolan-2,5'- indene]","","- C14 H18 O2 -","- C14 H18 O2 -","- C112 H144 O16 -","8","2","","Tzvetkov, N. T.; Neumann, B.; Stammler, H.-G.; Mattay, J.","Crystal structure of (7a'SR)-7a'-prop-2-ynyl-1',2',4',6',7',7a'-hexahydrospiro [1,3-dioxolan-2,5'-indene], C~14~H~18~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","479","480","","","","0.71073","MoKα","","0.0936","0.0679","","","0.1793","0.2061","","","","","","1.035","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102055","13.78","0.0004","7.122","0.0003","11.767","0.0007","90","","98.64","0.0014","90","","1141.72","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1aSR,3aRS,7aSR)-3a-but-2-ynyl-1a,2,3,3a,4,5-hexahydro-1H-cyclopropa[c]inden- 6(7H)-one, C14H18O","","- C14 H18 O -","- C14 H18 O -","- C56 H72 O4 -","4","1","","Tzvetkov, N. T.; Neumann, B.; Stammler, H.-G.; Mattay, J.","Crystal structure of (1aSR,3aRS,7aSR)-3a-but-2-ynyl-1a,2,3,3a,4,5- hexahydro-1H-cyclopropa[c]inden-6(7H)-one, C~14~H~18~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","481","482","","","","0.71073","MoKα","","0.0594","0.0452","","","0.1145","0.1251","","","","","","1.026","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102056","18.778","0.008","10.214","0.004","16.128","0.007","90","","108.76","0.008","90","","2929","2","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetra(4-methylpyridine)copper(II) diperchlorate","","- C24 H28 Cl2 Cu N4 O8 -","- C24 H28 Cl2 Cu N4 O8 -","- C96 H112 Cl8 Cu4 N16 O32 -","4","0.5","","Zhang, C.-H.; Chen, M.-S.; Kuang, D.-Z.","Crystal structure of tetra(4-methylpyridine)copper(II) diperchlorate, [Cu(C~6~H~7~N)~4~][ClO~4~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","483","484","","","","0.71073","MoKα","","0.1185","0.0561","","","0.1349","0.1723","","","","","","1.014","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102057","11.054","0.002","18.062","0.004","6.474","0.003","90","","100.02","0.02","90","","1272.9","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis[2-(cyclohexyliminomethyl)-6-methoxyphenolato]cobalt(II)","trans-bis(N-cyclohexyl-3-methoxy-salicylideneiminato)cobalt(II)","","- C28 H36 Co N2 O4 -","- C28 H36 Co N2 O4 -","- C56 H72 Co2 N4 O8 -","2","0.5","","Lin, H.-W.","Crystal structure of trans-bis(N-cyclohexyl-3-methoxy-salicylideneiminato) cobalt(II), Co(C~14~H~18~NO~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","485","486","","","","0.71073","MoKα","","0.2247","0.0788","","","0.1424","0.1982","","","","","","0.962","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102058","9.624","0.003","8.446","0.003","23.756","0.008","90","","93.998","0.007","90","","1926.3","1.1","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rac-cis-N-(2,4-dinitrophenyl)-3,4-diphenyl-5H-1,2-oxathiol-5-amine 2-oxide","","- C21 H15 N3 O6 S -","- C21 H15 N3 O6 S -","- C84 H60 N12 O24 S4 -","4","1","","Fahrig, J.; Sieler, J.; Schulze, B.","Crystal structure of rac-cis-N-(2,4-dinitrophenyl)-3,4-diphenyl-5H- 1,2-oxathiol-5-amine 2-oxide, C~21~H~15~N~3~O~6~S, sultim and sultam structures - part 4","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","487","488","","","","0.71073","MoKα","","0.0963","0.0799","","","0.2114","0.2279","","","","","","0.897","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102059","11.0771","0.0006","17.1592","0.0009","18.4825","0.001","90","","90","","90","","3513","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","aqua[N,N,N',N'-tetrakis(2-pyridylmethyl)-1,2-diaminocyclohexane]manganese(II) dibromide tetrahydrate","","- C30 H44 Br2 Mn N6 O5 -","- C30 H44 Br2 Mn N6 O5 -","- C120 H176 Br8 Mn4 N24 O20 -","4","1","","Hwang, I.-C.; Ha, K.","Crystal structure of aqua(N,N,N',N'-tetrakis(2-pyridylmethyl)-1,2- diaminocyclohexane)manganese(II) dibromide tetrahydrate, [Mn{C~6~H~10~N~2~ (C~6~H~6~N)~4~}(H~2~O)]Br~2~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","468","470","","","","0.71073","MoKα","","0.1057","0.0653","","","0.1119","0.1246","","","","","","0.964","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102060","12.2616","0.0001","12.4817","0.0001","14.1222","0.0002","110.191","0.001","100.408","0.001","106.679","0.001","1846.74","0.04","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","bis[tetrakis(trimethylsilylmethyl)(μ-hydroxy)(p-nitrobenzoato)(μ^3^- oxo)ditin(IV)]","","- C46 H98 N2 O12 Si8 Sn4 -","- C46 H98 N2 O12 Si8 Sn4 -","- C46 H98 N2 O12 Si8 Sn4 -","1","0.5","","Lei, T.; Wang, G.-Y.; Li, Z.-H.; Lin, S.; Fang, X.-N.","Crystal structure of bis(tetrakis(trimethylsilylmethyl)-(μ- hydroxy)(p-nitrobenzoato)(μ^3^-oxo)ditin(IV)), [Sn~2~O(OH) (NO~2~C~6~H~4~COO){(CH~3~)~3~SiCH~2~}~4~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","492","494","","","","0.71073","MoKα","","0.0451","0.0355","","","0.0999","0.1041","","","","","","1.088","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102061","10.942","0.0007","16.0084","0.0012","14.4584","0.0012","90","","101.861","0.004","90","","2478.5","0.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(2,2'-bipyridine-N,N')carbonatocobalt(III) hydrogencarbonate pentahydrate","","- C22 H27 Co N4 O11 -","- C22 H27 Co N4 O11 -","- C88 H108 Co4 N16 O44 -","4","0.5","","Guo, H.-M.; Zhang, B.-S.","Crystal structure of bis(2,2'-bipyridine-N,N')carbonato-cobalt(III) hydrogencarbonate tetrahydrate, [Co(C~10~H~8~N~2~)~2~(CO~3~)][HCO~3~] · 5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","507","508","","","","0.71073","MoKα","","0.0814","0.0384","","","0.0908","0.0953","","","","","","0.766","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102062","9.5342","0.0019","11.315","0.002","11.327","0.002","97.89","0.03","113.34","0.03","104.05","0.03","1050.3","0.5","298","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis(lomefloxacin) 1,4-benzenedicarboxylate dihydrate","","- C42 H48 F4 N6 O12 -","- C42 H48 F4 N6 O12 -","- C42 H48 F4 N6 O12 -","1","0.5","","Zhou, T.; Zhao, L.; Guo, J.-X.","Crystal structure of bis(lomefloxacin) 1,4-benzenedicarboxylate dihydrate, (C~17~H~19~F~2~N~3~O~3~)~2~[C~8~H~6~O~4~] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","495","496","","","","0.71073","MoKα","","0.1062","0.0662","","","0.1876","0.2123","","","","","","1.036","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102063","16.352","0.003","15.579","0.003","9.1318","0.0018","90","","104.54","0.03","90","","2251.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","diaquabis(1,10-phenanthroline-k^2^N,N')sodium chloride","","- C24 H20 Cl N4 Na O2 -","- C24 H20 Cl N4 Na O2 -","- C96 H80 Cl4 N16 Na4 O8 -","4","1","","Zhang, B.-S.","Crystal structure of diaquabis(1,10-phenanthroline-κ^2^N,N') sodium chloride, [Na(H~2~O)~2~(C~12~H~8~N~2~)~2~]Cl","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","509","510","","","","0.71073","MoKα","","0.1234","0.0564","","","0.1329","0.1606","","","","","","1.022","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102064","11.499","0.0013","9.6536","0.0011","20.372","0.002","90","","90.82","0.002","90","","2261.2","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","melamine 2,4,6,2',4',6'-hexanitrodiphenylamine hydrate","melaminium dipicrylaminate hydrate","","- C15 H13 N13 O13 -","- C15 H13 N13 O13 -","- C60 H52 N52 O52 -","4","1","","Du, Z.-X.; Han, M.-L.; Wang, J.-G.; Qin, J.-H.","Crystal structure of melaminium dipicrylaminate hydrate, [C~3~N~3~H (NH~2~)~3~][N{C~6~H~2~(NO~2~)~3~}~2~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","499","500","","","","0.71073","MoKα","","0.1011","0.0767","","","0.2043","0.2275","","","","","","1.059","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102065","10.4852","0.0003","18.6442","0.0004","10.8653","0.0003","90","","111.458","0.001","90","","1976.81","0.09","296","2","296","2","","","","","","","See text","6","C 1 2/c 1","-C 2yc","15","","(N^1^E,N^2^E)-N^1^,N^2^-bis(5-hydroxymethy-2-methyl-idin-3- pyrolate-4-ylmethylene)ethane-1,2-diamine nickel(II) dihydrochloride","","- C18 H22 Cl2 N4 Ni O4 -","- C18 H22 Cl2 N4 Ni O4 -","- C72 H88 Cl8 N16 Ni4 O16 -","4","0.5","","Wen, P.-H.; Feng, Q.","Crystal structure of (N^1^E,N^2^E)-N^1^,N^2^-bis(5-hydroxymethyl-2- methyl-3-oxopyridinio-4-ylmethylene)ethane-1,2-diamine-nickel(II) dihydrochloride, [Ni(C~18~H~22~N~4~O~4~)]Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","501","502","","","","0.71073","MoKα","","0.0401","0.0325","","","0.0736","0.0764","","","","","","0.994","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102066","10.8806","0.001","11.1281","0.0011","10.7584","0.001","90","","111.687","0.002","90","","1210.4","0.2","243","2","243","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","μ-[(1,2,5,6-η:3,4,7,8-η)-1,3,5,7-cyclooctatetraene]bis[dimethylplatinum(II)]","","- C12 H20 Pt2 -","- C12 H20 Pt2 -","- C48 H80 Pt8 -","4","0.5","","Song, A.-R.; Hwang, I.-C.; Ha, K.","Refinement of the crystal structure of μ-((1,2,5,6-η:3, 4,7,8-η)-1,3,5,7-cyclooctatetraene)bis(dimethylplatinum(II)), [Pt(CH~3~)~2~]~2~(C~8~H~8~), at 243 K","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","471","472","","","","0.71073","MoKα","","0.0317","0.0296","","","0.073","0.0741","","","","","","1.142","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102067","14.9518","0.0017","9.6913","0.0011","10.3064","0.0012","90","","118.107","0.001","90","","1317.3","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","catena-(μ-oxo)(μ-molybdato(VI))bis(dioxo(1,10-phenanthroline)molybdenum(VI))","","- C24 H16 Mo3 N4 O9 -","- C24 H16 Mo3 N4 O9 -","- C48 H32 Mo6 N8 O18 -","2","0.5","","Zhou, D.-P.; Bi, D.-Q.","Re-determination of the crystal structure of catena-(μ-oxo) (μ-molybdato(VI))bis(dioxo(1,10-phenanthroline)-molybdenum (VI)), [Mo(O)~2~(C~12~H~8~N~2~)]~2~(O)(MoO~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","503","504","","","","0.71073","MoKα","","0.0214","0.0205","","","0.0436","0.0444","","","","","","1.074","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102068","7.5235","0.0009","9.459","0.001","21.3518","0.0002","90","","90","","90","","1519.5","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3'-formyl-benzo-15-crown-5","","- C15 H20 O6 -","- C15 H20 O6 -","- C60 H80 O24 -","4","1","","Wang, H.-T.; Lei, X.-X.; Zhang, L.-X.; Zhang, C.-Y.","Crystal structure of 3'-formyl-benzo-15-crown-5, C~15~H~20~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","505","506","","","","0.71073","MoKα","","0.0937","0.076","","","0.1345","0.1416","","","","","","1.241","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102069","11.6717","0.0002","12.5543","0.0002","13.6995","0.0003","95.132","0.001","112.69","0.001","103.895","0.001","1760.28","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(1,10-phenanthroline-N,N')bis(2-bromo-benzoato)lead(II) hydrate (1:2.5)","","- C76 H58 Br4 N8 O13 Pb2 -","- C76 H58 Br4 N8 O13 Pb2 -","- C76 H58 Br4 N8 O13 Pb2 -","1","0.5","","Zhang, B.-S.","Crystal structure of bis(1,10-phenanthroline-N,N')-bis(2-bromobenzoato) lead(II) hydrate (1:2.5), [Pb(C~7~H~4~O~2~Br)~2~(C~12~H~8~N~2~)~2~] · 2.5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","511","513","","","","0.71073","MoKα","","0.0692","0.0412","","","0.1056","0.1152","","","","","","1.05","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102070","13.999","0.008","13.295","0.007","25.97","0.015","90","","90","","90","","4833","5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,2-bis(pyridin-1-ium-4-yl)ethylene bis(5-fluorouracil-1-acetate)","","- C24 H20 F2 N6 O8 -","- C24 H20 F2 N6 O8 -","- C192 H160 F16 N48 O64 -","8","1","","Chen, F.; Xiang, G.-Q.","Crystal structure of 1,2-bis(pyridin-1-ium-4-yl)ethylene bis(5-fluorouracil- 1-acetate), (C~12~H~12~N~2~)[C~6~H~4~FN~2~O~4~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","514","516","","","","0.71073","MoKα","","0.8107","0.0782","","","0.1736","0.1933","","","","","","1.106","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102071","9.87","0.003","13.971","0.004","14.491","0.004","105.98","0.02","99.23","0.02","100.26","0.02","1843.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(3,5-diisopropylsalicylato)(neocuproine)cadmium(II)","","- C40 H46 Cd N2 O6 -","- C40 H46 Cd N2 O6 -","- C80 H92 Cd2 N4 O12 -","2","1","","Tomas, A.; Retailleau, P.; Viossat, B.; Prangé, T.; Lemoine, P.","Crystal structure of bis(3,5-diisopropylsalicylato)(neocuproine)cadmium (II), Cd(C~13~H~17~O~3~)~2~(C~14~H~12~N~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","517","519","","","","0.71073","MoKα","","0.2005","0.0429","","","0.1055","0.1485","","","","","","0.933","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102072","32.593","0.011","32.593","0.011","10.974","0.004","90","","90","","120","","10096","6","293","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(1,10-phenanthroline-κ^2^N,N')oxo(N-salicylideneisoleucinato- κ^3^O,N,O')vanadium(IV)","","- C25 H23 N3 O4 V -","- C25 H23 N3 O4 V -","- C450 H414 N54 O72 V18 -","18","1","","Li, L.-Z.; Jing, B.-Q.; Li, L.-W.; Xu, T.","Crystal structure of (1,10-phenanthroline-κ^2^N,N')oxo- (N-salicylideneisoleucinato-κ^3^O,N,O')vanadium(IV), VO(C~12~H~8~N~2~)(C~13~H~15~NO~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","520","522","","","","0.71073","MoKα","","0.1534","0.053","","","0.1164","0.152","","","","","","0.989","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8102073","47.639","0.005","22.047","0.003","5.451","0.002","90","","90","","90","","5725","2","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","bis(4-bromo-2-((3-methylaminopropylimino)methyl)phenolato)cobalt(II) dinitrate","","- C22 H30 Br2 Co N6 O8 -","- C22 H30 Br2 Co N6 O8 -","- C176 H240 Br16 Co8 N48 O64 -","8","0.5","","Wang, N.; Pu, Y.-L.","Crystal structure of bis(4-bromo-2-((3-methylaminopropylimino)methyl) phenolato)cobalt(II) dinitrate, [Co(C~11~H~15~BrN~2~O)~2~][NO~3~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","523","524","","","","0.71073","MoKα","","0.0833","0.0532","","","0.112","0.1262","","","","","","1.03","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102074","14.0527","0.0015","9.1089","0.0007","16.4085","0.0017","90","","105.013","0.009","90","","2028.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis-hydrogenbetaine tetrachlorocuprate(II) monohydrate","","- C10 H26 Cl4 Cu N2 O5 -","- C10 H26 Cl4 Cu N2 O5 -","- C40 H104 Cl16 Cu4 N8 O20 -","4","1","","Schreuer, J.; Wiehl, L.; Wagner, A.; Hofmann, P.","Crystal structure of bis(hydrogenbetaine) tetrachlorocuprate(II) monohydrate, [(CH~3~)~3~NCH~2~COOH]~2~[CuCl~4~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","525","526","","","","0.71073","MoKα","","0.0523","0.0376","","","0.0803","0.0854","","","","","","1.052","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102075","11.3039","0.0007","14.7663","0.0009","11.3239","0.0007","90","","108.194","0.005","90","","1795.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis(μ-betaine-O,O')dibromo-dicopper(II) dibromide dihydrate","","- C20 H48 Br4 Cu2 N4 O10 -","- C20 H48 Br4 Cu2 N4 O10 -","- C40 H96 Br8 Cu4 N8 O20 -","2","0.5","","Wiehl, L.; Schreuer, J.; Stojic, A.","Crystal structure of tetrakis(μ-betaine-O,O')dibromodicopper (II) dibromide dihydrate, [Cu~2~{(CH~3~)~3~NCH~2~COO}~4~Br~2~]Br~2~ · 2H~2~O, with a propeller-shaped dinuclear copper complex","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","527","528","","","","0.71073","MoKα","","0.0405","0.0323","","","0.0818","0.0846","","","","","","1.003","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102076","11.6813","0.0007","13.2849","0.0014","14.7189","0.0013","64.61","0.009","75.233","0.006","74.823","0.007","1964.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-betaine-O,O')dibromo-dicopper(II) tetrabromocuprate(II) monohydrate","","- C20 H46 Br6 Cu3 N4 O9 -","- C20 H46 Br6 Cu3 N4 O9 -","- C40 H92 Br12 Cu6 N8 O18 -","2","1","","Schreuer, J.; Wiehl, L.; Biehler, J.; Hofmann, P.","Crystal structure of tetrakis(μ-betaine-O,O')dibromodicopper (II) tetrabromocuprate(II) monohydrate, [Cu~2~{(CH~3~)~3~NCH~2~COO}~4~Br~2~] [CuBr~4~] · H~2~O, with a propeller-shaped dinuclear copper complex","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","529","531","","","","0.71073","MoKα","","0.0388","0.0295","","","0.0782","0.0821","","","","","","1.065","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102077","7.9492","0.0009","7.8317","0.0009","9.632","0.001","90","","98.275","0.008","90","","593.4","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-chloro-2-(choromethyl)-5-(1-hidroxy-isopropyl)-ciclohexane-1-ol","","- C10 H18 Cl2 O2 -","- C10 H18 Cl2 O2 -","- C20 H36 Cl4 O4 -","2","1","","Zukerman-Schpector, J.; Coelho, D. C. S.; Tanaka, C. M. A.; Marsaioli, A. J.","Crystal structure of 2-chloro-2-(chloromethyl)-5-(1-hydroxy-isopropyl)- cyclohexane-1-ol, C~10~H~18~Cl~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","537","538","","","","0.71073","MoKα","","0.0642","0.0407","","","0.1049","0.1274","","","","","","1.075","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102078","13.113","0.005","13.113","0.005","4.941","0.003","90","","90","","90","","849.6","0.7","298","2","298","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","4-oxo-3,5-dinitropyridine-N-hydroxide monohydrate","","- C5 H5 N3 O7 -","- C5 H5 N3 O7 -","- C20 H20 N12 O28 -","4","0.5","","Tang, F.-Y.; She, J.-B.; Li, J.-Z.; Zhang, G.-F.; Zahn, G.","Crystal structure of 4-oxo-3,5-dinitropyridine-N-hydroxide monohydrate, C~5~NH~2~(NO~2~)~2~O(OH) · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","539","540","","","","0.71073","MoKα","","0.102","0.0479","","","0.1092","0.1367","","","","","","1.033","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102079","16.4224","0.0012","8.997","0.0007","19.636","0.0015","90","","93.284","0.001","90","","2896.5","0.4","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(2,5-bis(2-pyridyl)-1,3,4-thiadiazole)bis(perchlorato)copper(II)","","- C24 H16 Cl2 Cu N8 O8 S2 -","- C24 H16 Cl2 Cu N8 O8 S2 -","- C96 H64 Cl8 Cu4 N32 O32 S8 -","4","1","","Zheng, X.-F.; Wan, X.-S.; Liu, W.; Niu, C.-Y.; Kou, C.-H.","Crystal structure of bis(2,5-bis(2-pyridyl)-1,3,4-thiadiazole)-bis (perchlorato)copper(II), Cu(C~12~H~8~N~4~S)~2~(ClO~4~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","543","544","","","","0.71073","MoKα","","0.0635","0.045","","","0.1228","0.1387","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8102080","3.837","0.001","13.633","0.004","13.117","0.001","90","","91.23","0.007","90","","686","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 Cl2 O -","- C7 H4 Cl2 O -","- C28 H16 Cl8 O4 -","4","1","","Gawlicka-Chruszcz, A.; Zheng, H.; Hyacinth, M.; Cymborowski, M.; Sabat, M.; Minor, W.","Crystal structure of 2,6-dichlorobenzaldehyde, C~7~H~4~Cl~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","545","546","","single crystal","x-ray","1.54179","CuKα","K-L~2,3~","0.0531","0.05","","","0.1565","0.1591","","","","","","1.182","","","","has coordinates","288175","2023-12-08","08:19:59",""
"8102081","14.499","0.005","17.826","0.005","30.234","0.005","90","0.005","90.095","0.005","90","0.005","7814","4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2,6-diisopropyl-phenylamino)-6-(2,4,6-triisopropyl-phenyl)-pyridinium [2-(2,6-diisopropyl-phenylamido)-6-(2,4,6-triisopropyl-phenyl)-pyridinium]- (μ-chloro)-di(μ-oxo)-tetrahydrofurane-trichloro-dichromate(IV) pentane solvate","","- C73 H109 Cl5 Cr2 N4 O3 -","- C73 H109 Cl5 Cr2 N4 O3 -","- C292 H436 Cl20 Cr8 N16 O12 -","4","1","","Dietel, A. M.; Irrgang, T.; Karthikeyan, S.; Kempe, R.","Crystal structure of 2-(2,6-diisopropyl-phenylamino)-6-(2,4,6-triisopropyl- phenyl)-pyridinium [2-(2,6-diisopropyl-phenylamido)-6-(2,4,6-triisopropyl- phenyl)-pyridinium]-(μ-chloro)-di(μ-oxo)-tetrachloro- tetrahydrofuran-dichromate(IV) pentane solvate, (C~32~H~45~N~2~)[ (C~32~H~44~N~2~)Cl~5~Cr~2~O~2~(C~4~H~8~O)] · C~5~H~12~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","547","550","","","","0.71069","MoKα","","0.1205","0.0634","","","0.1497","0.1761","","","","","","0.962","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102082","15.0094","0.0009","15.8112","0.001","20.0305","0.0012","90","","102.295","0.01","90","","4644.5","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dimethyl 2-(tert-butylamino)-5-benzoyl-6-phenyl-4H-pyran-3,4-dicarboxylate","","- C26 H27 N O6 -","- C26 H27 N O6 -","- C208 H216 N8 O48 -","8","1","","Zonouzi, A.; Rahmani, H.; Kamali, A.; Jahangiri, A.","Crystal structure of dimethyl 2-(tert-butylamino)-5-benzoyl-6-phenyl- 4H-pyran-3,4-dicarboxylate, C~26~H~27~NO~6~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","557","558","","","","0.71073","MoKα","","0.0746","0.0503","","","0.1279","0.1422","","","","","","1.001","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102083","5.611","0.002","11.723","0.002","16.636","0.003","90","","95.432","0.002","90","","1089.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[(1,4-butane)dioxybis(nitrilomethylidyne)]dinaphthol","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C52 H48 N4 O8 -","2","0.5","","Dong, W.-K.; Duan, J.-G.; Wu, H.-L.; Shi, J.-Y.; Yu, T.-Z.","Crystal structure of 2,2'-((1,4-butylene)dioxybis(nitrilo-methylidyne)) dinaphthol, C~26~H~24~N~2~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","555","556","","","","0.71073","MoKα","","0.0837","0.0483","","","0.1159","0.1526","","","","","","1.077","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102084","9.304","0.001","10.8443","0.0012","11.0327","0.0013","109.574","0.003","102.575","0.003","102.419","0.003","972.16","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","dimethyl 7-(cyclohexylamino)2,3,4,5-tetrahydro-1,3-dimethyl-2,4-dioxo- 1H-pyrano[2,3-d]pyrimidine-5,6-dicarboxylate","","- C19 H25 N3 O7 -","- C19 H25 N3 O7 -","- C38 H50 N6 O14 -","2","1","","Zonouzi, A.; Rahmani, H.; Samareh Afsari, H.; Saranjampour, P.","Crystal structure of dimethyl 7-(cyclohexylamino)2,3,4,5-tetrahydro- 1,3-dimethyl-2,4-dioxo-1H-pyrano[2,3-d]-pyrimidine-5,6-dicarboxylate, C~19~H~25~N~3~O~7~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","559","560","","","","0.71073","MoKα","","0.0839","0.0513","","","0.0904","0.1008","","","","","","1.013","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102932","8.448","0.001","8.448","0.001","10.97","0.002","90","","90","","90","","782.91","0.19","293","2","293","2","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","pentapraseodymium diboropentacarbide","","- C1.25 B0.5 Pr1.25 -","- C1.25 B0.5 Pr1.25 -","- C20 B8 Pr20 -","16","1","","Babizhetskyy, V.; Mattausch, Hj.; Simon, A.","Crystal structure of pentapraseodymium diboropentacarbide, Pr~5~B~2~C~5~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","1","2","10.1524/ncrs.2006.221.14.1","","","0.71069","MoKα","","0.0358","0.0326","","","0.0619","0.063","","","","","","1.17","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102933","19.315","0.002","12.1014","0.0014","13.5305","0.0013","90","","97.545","0.008","90","","3135.2","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","tetragadolinium hexaiodide monogermanide","tetragadolinium hexaiodide monogermanide","","- Gd4 Ge I6 -","- Gd4 Ge I6 -","- Gd32 Ge8 I48 -","8","1","","Lukachuk, M.; Mattausch, Hj.; Simon, A.","Crystal structure of tetragadolinium hexaiodide monogermanide, Gd~4~I~6~Ge","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","3","4","","","","0.71073","MoKα","","0.1245","0.0572","","","0.0791","0.0935","","","","","","0.973","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102934","13.8","0.0016","13.8","0.0016","13.8","0.0016","90","","90","","90","","2628.1","0.5","293","2","293","2","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","dipotassium octa-μ~3~-bromohexabromo-octahedro-hexamolybdenate","","- Br14 K2 Mo6 -","- Br14 K2.005 Mo6 -","- Br56 K8.02 Mo24 -","4","0.166667","","Xu, W.; Wang, P.; Zheng, Y.-Q.","Crystal structure of dipotassium octakis(μ~3~-bromo)-hexabromo- octahedro-hexamolybdenate, K~2~[Mo~6~Br~14~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","107","108","","","","0.71073","MoKα","","0.1192","0.0768","","","0.1483","0.1862","","","","","","0.931","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102935","4.5636","0.0002","4.5636","0.0002","10.2341","0.0006","90","","90","","90","","213.14","0.018","293","2","295.15","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Ba Ge3 Pt -","- Ba Ge3 Pt -","- Ba2 Ge6 Pt2 -","2","0.125","","Demchyna, R.; Prots, Yu.; Schnelle, W.; Burkhardt, U.; Schwarz, U.","Crystal structures of (barium, europium) platinum trigermanium, Ba~1- x~EuxPtGe3 (x = 0, 0.27, 1)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","109","111","","","","0.7107","MoKα","","","0.03","","","","0.074","","","","","","1.111","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102936","4.5432","0.0001","4.5432","0.0001","10.1763","0.0002","90","","90","","90","","210.046","0.008","293","2","295.15","","","","","","","","","4","I 4 m m","I 4 -2","107","","","","- Ba0.75 Eu0.25 Ge3 Pt -","- Ba1.46 Eu0.54 Ge6 Pt2 -","- Ba1.46 Eu0.54 Ge6 Pt2 -","1","0.0625","","Demchyna, R.; Prots, Yu.; Schnelle, W.; Burkhardt, U.; Schwarz, U.","Crystal structures of (barium, europium) platinum trigermanium, Ba~1- x~EuxPtGe3 (x = 0, 0.27, 1)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","109","111","","","","0.7107","MoKα","","","0.025","","","","0.061","","","","","","1.222","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102937","4.4633","0.0001","4.4633","0.0001","10.0625","0.0004","90","","90","","90","","200.456","0.01","293","2","295.15","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Eu Ge3 Pt -","- Eu2 Ge6 Pt2 -","- Eu2 Ge6 Pt2 -","1","0.0625","","Demchyna, R.; Prots, Yu.; Schnelle, W.; Burkhardt, U.; Schwarz, U.","Crystal structures of (barium, europium) platinum trigermanium, Ba~1- x~EuxPtGe3 (x = 0, 0.27, 1)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","109","111","","","","0.7107","MoKα","","","0.018","","","","0.035","","","","","","1.093","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102938","13.852","0.003","23.055","0.005","7.34","0.002","90","","90","","90","","2344.1","1","293","2","295.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al23 Co10.14 Si8.72 -","- Al23 Co10.1401 Si8.7198 -","- Al92 Co40.5604 Si34.8792 -","4","0.5","","Richter, K. W.; Prots, Yu.","Crystal structure of cobalt aluminum silicide, Co~10+x~Al~23~Si~9- 2x~ (x = 0.14), the φ phase in the Co-Al-Si system","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","112","114","","","","0.7107","MoKα","","","0.035","","","","0.081","","","","","","1.145","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102939","20.01","0.002","19.1498","0.0007","12.8227","0.0008","90","","123.56","0.01","90","","4094.5","0.7","293","2","295.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Al43.14 Co18.86 Si11.86 -","- Al43.1384 Co18.8616 Si11.8616 -","- Al172.554 Co75.4464 Si47.4464 -","4","0.5","","Richter, K. W.; Prots, Yu.","Crystal structures of cobalt aluminum silicide, Co~19+x~Al~43+y~Si~12- y~ (x = -0.14, y = 0.14; x = 0.49, y = -0.49), the γ phase in the Co-Al-Si system","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","115","118","","","","0.7107","MoKα","","","0.035","","","","0.079","","","","","","1.152","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102940","10.739","0.001","10.739","0.001","10.739","0.001","90","","90","","90","","1238.5","0.2","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","nonasilver hexathioaluminate - gamma","nonasilver hexathioaluminate - gamma","","- Ag9 Al S6 -","- Ag8.994 Al S6 -","- Ag35.976 Al4 S24 -","4","0.0416667","","Zaiss, T.; Deiseroth, H.-J.","Crystal structure of nonasilver hexathioaluminate, Ag~9~AlS~6~, the γ phase","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","119","120","","","","0.56087","AgKα","","0.0277","0.0343","","0.0485","0.0486","","","","9.22","8.69","8.69","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102941","15.348","0.003","3.999","0.001","9.386","0.002","90","0","125.86","0.01","90","0","466.89","0.19","293","2","295.15","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Gd3 P4 Pd7 -","- Gd3 P4 Pd7 -","- Gd6 P8 Pd14 -","2","0.25","","Budnyk, S.; Prots, Yu.; Kuz'ma, Yu. B.; Grin, Yu.","Crystal structures of trigadolinium tetraphosphidoheptapalladate, Gd~3~Pd~7~P~4~, and triterbium tetraphosphidohepta-palladate, Tb~3~Pd~7~P~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","238","240","","","","0.7107","MoKα","","","0.024","","","","0.056","","","","","","1.12","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102942","10.961","0.002","6.8664","0.0006","12.981","0.002","90","","111.19","0.01","90","","910.9","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","magnesium diammonium hexathiodiphosphate(IV) octahydrate","","- H24 Mg N2 O8 P2 S6 -","- H24 Mg N2 O8 P2 S6 -","- H48 Mg2 N4 O16 P4 S12 -","2","0.5","","Hinrichs, F.; Gjikaj, M.","Crystal structure of hexaaquamagnesium diammonium hexathiodiphosphate (IV) dihydrate, [Mg(H~2~O)~6~](NH~4~)~2~[P~2~S~6~] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","121","122","","","","0.71073","MoKα","","0.0331","0.027","","","0.0616","0.0643","","","","","","1.079","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102943","20.025","0.002","19.173","0.002","12.835","0.001","90","","123.63","0.01","90","","4103.1","0.8","293","2","295.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Al42.52 Co19.49 Si12.49 -","- Al42.514 Co19.486 Si12.486 -","- Al170.056 Co77.944 Si49.944 -","4","0.5","","Richter, K. W.; Prots, Yu.","Crystal structures of cobalt aluminum silicide, Co~19+x~Al~43+y~Si~12- y~ (x = -0.14, y = 0.14; x = 0.49, y = -0.49), the γ phase in the Co-Al-Si system","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","115","118","","","","0.7107","MoKα","","0.062","0.044","","","0.09","0.108","","","","","","1.117","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102944","7.268","0.001","7.441","0.001","9.319","0.001","79.54","0.01","85.18","0.01","71.9","0.01","470.88","0.11","293","1","293","2","","","","","","","","4","P -1","-P 1","2","","ytterbium triiodate dihydrate","","- H4 I3 O11 Yb -","- I3 O11 Yb -","- I6 O22 Yb2 -","2","1","","Phanon, D.; Gautier-Luneau, I.","Crystal structure of ytterbium triiodate dihydrate, Yb[IO~3~]~3~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","245","246","","","","0.56085","AgKα","","0.0313","0.0278","","","0.0688","0.0701","","","","","","1.226","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102945","5.038","0.002","12.154","0.002","16.041","0.003","90","","90","","90","","982.2","0.5","293","1","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","indium triiodate dihydrate","","- H4 I3 In O11 -","- I3 In O11 -","- I12 In4 O44 -","4","1","","Phanon, D.; Gautier-Luneau, I.","Crystal structure of indium triiodate dihydrate, In[IO~3~]~3~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","247","248","","","","0.56085","AgKα","","0.0303","0.0219","","","0.0389","0.0418","","","","","","1.154","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102946","6.862","0.001","7.282","0.002","11.137","0.003","94.01","0.02","107.75","0.01","93.59","0.01","526.6","0.2","293","1","293","2","","","","","","","","4","P -1","-P 1","2","","indium triiodate trihydrate","","- H6 I3 In O12 -","- I3 In O12 -","- I6 In2 O24 -","2","1","","Phanon, D.; Gautier-Luneau, I.","Crystal structure of indium triiodate trihydrate, In[IO~3~]~3~ · 3H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","249","250","","","","0.56085","AgKα","","0.0397","0.0344","","","0.0854","0.0894","","","","","","1.064","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102947","5.2696","0.0002","8.2739","0.0008","8.389","0.0005","88.216","0.011","79.701","0.006","86.667","0.011","359.18","0.04","295.15","","295.15","","","","","","","","","6","P -1","-P 1","2","","","","- B2 H2 K2 O18 P4 Sc2 -","- B2 H2 K2 O18 P4 Sc2 -","- B2 H2 K2 O18 P4 Sc2 -","1","0.5","","Menezes, P. W.; Hoffmann, S.; Prots, Yu.; Kniep, R.","Crystal structure of potassium scandium (monophosphate-hydrogenmonoborate- monophosphate), KSc[BP~2~O~8~(OH)]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","251","252","","","","0.71073","MoKα","","","0.0317","","","","0.0747","","","","","","1.158","","","","has coordinates","187017","2020-10-21","18:00:00",""
"8102948","5.3296","0.0002","8.3919","0.0008","8.4319","0.0005","87.27","0.01","80.124","0.006","86.6","0.01","370.61","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- B H O9 P2 Rb Sc -","- B H O9 P2 Rb Sc -","- B2 H2 O18 P4 Rb2 Sc2 -","2","1","","Menezes, P. W.; Hoffmann, S.; Prots, Yu.; Kniep, R.","Crystal structure of rubidium scandium (monophosphate-hydrogenmonoborate- monophosphate), RbSc[BP~2~O~8~(OH)]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","253","254","","","","0.71073","MoKα","","","0.0238","","","","0.0663","","","","","","1.144","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102949","8.6524","0.0003","8.6524","0.0003","8.6524","0.0003","90","","90","","90","","647.75","0.04","293","2","293","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","ytterbium rhodium antimony","","- Rh7 Sb6 Yb4 -","- Rh7 Sb6 Yb4 -","- Rh14 Sb12 Yb8 -","2","0.0208333","","Leithe-Jasper, A.; Cardoso-Gil, R.; Ramlau, R.; Burkhardt, U.","Crystal structure of tetraytterbium septarhodium hexaantimony, Yb~4~Rh~7~Sb~6~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","255","256","","","","0.56086","AgKα","","0.0126","0.0114","","","0.0187","0.0189","","","","","","1.335","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102950","4.3958","0.0009","4.5298","0.0006","26.002","0.004","90","","90","","90","","517.75","0.15","293","2","295.15","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Ga8.45 Sr2.85 -","- Ga8.452 Sr2.846 -","- Ga16.904 Sr5.692 -","2","0.125","","Haarmann, F.; Prots, Yu.; Göbel, S.; von Schnering, H. G.","Crystal structure of tristrontium octagallide, Sr~3-x~Ga~8+3x~ (x = 0.15)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","257","258","","","","0.7107","MoKα","","","0.038","","","","0.091","","","","","","1.098","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102951","4.6459","0.0003","7.6255","0.0005","7.6379","0.0003","90","","90","","90","","270.59","0.03","293","2","295.15","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Eu Ga2 -","- Eu Ga2 -","- Eu4 Ga8 -","4","0.25","","Sichevych, O.; Cardoso-Gil, R.; Grin, Yu.","Refinement of the crystal structure of europium digallide, EuGa~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","261","262","","","","0.56087","AgKα","","","0.017","","","","0.023","","","","","","2.42","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102952","5.6785","0.0002","5.6785","0.0002","8.6911","0.0005","90","","90","","120","","242.702","0.018","","","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Eu2 Ga3 Ir -","- Eu2 Ga3 Ir -","- Eu4 Ga6 Ir2 -","2","0.0833333","","Sichevych, O.; Prots, Yu.; Schnelle, W.; Schmidt, M.; Grin, Yu.","Crystal structure of dieuropium trigallium iridium, Eu~2~Ga~3~Ir","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","263","264","","","","0.71073","MoKα","","","0.032","","","","0.028","","","","","","1.188","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102953","4.4105","0.0003","4.3732","0.0002","25.852","0.001","90","","90","","90","","498.63","0.05","295.15","","295.15","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Eu2.88 Ga8.36 -","- Eu2.878 Ga8.338 -","- Eu5.756 Ga16.676 -","2","0.125","","Sichevych, O.; Prots, Yu.; Grin, Yu.","Re-investigation of the crystal structure of trieuropium octagallide, Eu~3-x~Ga~8+3x~ (x = 0.12)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","265","266","","","","0.7107","MoKα","","","0.025","","","","0.062","","","","","","1.03","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102954","4.2139","0.0003","4.2139","0.0003","5.4093","0.0004","90","","90","","90","","96.053","0.012","295","2","295.15","","","","","","","","","4","P 4/m m m","-P 4 2","123","praseodymium dimolybdenum disilicide carbide","praseodymium dimolybdenum disilicide carbide","","- C Mo2 Pr Si2 -","- C Mo2 Pr Si2 -","- C Mo2 Pr Si2 -","1","0.0625","","Dashjav, E.; Schnelle, W.; Wagner, F. R.; Kreiner, G.; Kniep, R.","Crystal structure of praseodymium dimolybdenum disilicide carbide, PrMo~2~Si~2~C","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","267","268","","","","0.7107","MoKα","","0.0203","0.0203","","","0.0424","0.0424","","","","","","1.339","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8102955","5.2219","0.0002","6.6171","0.0002","4.3918","0.0001","90","","90","","90","","151.754","0.008","293","2","295.15","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- B Ni3 -","- B1.007 Ni2.999 -","- B4.028 Ni11.996 -","4","0.5","","Gumeniuk, R.; Borrmann, H.; Leithe-Jasper, A.","Refinement of the crystal structures of trinickel boron, Ni~3~B, and tripalladium boron, Pd~3~B","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","425","426","","","","0.5608","AgKα","","","0.0217","","","","0.0363","","","","","","1.203","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102956","4.8692","0.0005","4.8692","0.0005","7.9628","0.0008","90","","90","","120","","163.5","0.03","293","2","293.15","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","niobium chromium nickel","niobium chromium nickel","","- Cr1.02 Nb Ni0.98 -","- Cr1.015 Nb Ni0.985 -","- Cr4.06 Nb4 Ni3.94 -","4","0.166667","","Grüner, D.; Ormeci, A.; Kreiner, G.","Crystal structure of niobium chromium nickel, Nb(Cr~1-x~Ni~x~)~2~ (x = 0.49)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","269","270","","","","0.71073","MoKα","","0.0584","0.052","","","0.1091","0.1108","","","","","","1.429","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102957","7.4123","0.0011","12.955","0.003","6.4748","0.001","90","","90","","90","","621.8","0.2","173","2","173","2","","","","","","","","3","I b a m","-I 2 2c","72","Distrontium oxide diiodide","Distrontium oxide diiodide","","- I2 O Sr2 -","- I2 O Sr2 -","- I8 O4 Sr8 -","4","0.25","","Reckeweg, O.; DiSalvo, F. J.","Crystal structure of distrontium oxide diiodide, Sr~2~OI~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","271","272","","","","0.71073","MoKα","","0.0452","0.0308","","","0.0569","0.0598","","","","","","1.064","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102958","7.1572","0.0002","7.1572","0.0002","6.8945","0.0004","90","","90","","120","","305.86","0.02","293","2","295.15","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Ga Hf Pd -","- Ga Hf Pd -","- Ga6 Hf6 Pd6 -","6","0.5","","Demchyna, R.; Prots, Yu.; Burkhardt, U.; Schwarz, U.; Grin, Yu.","Crystal structure of hafnium palladium gallium, HfPdGa","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","427","428","","","","0.7107","MoKα","","","0.019","","","","0.019","","","","","","1.02","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102959","10.2515","0.0009","8.3364","0.0005","9.1752","0.0013","90","","116.34","0.04","90","","702.7","0.3","295.15","","295.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B Ca H3 Ni O10 P2 -","- B Ca H3 Ni O10 P2 -","- B4 Ca4 H12 Ni4 O40 P8 -","4","0.5","","Menezes, P. W.; Hoffmann, S.; Prots, Yu.; Kniep, R.","Crystal structure of calcium nickel(II) (monohydrogen-monophosphate- dihydrogenmonoborate-monophosphate), CaNi[BP~2~O~7~(OH)~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","429","430","","","","0.71073","MoKα","","","0.0276","","","","0.0768","","","","","","1.114","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102960","5.2208","0.0002","7.8467","0.0007","8.3422","0.0003","89.473","0.008","79.219","0.004","87.521","0.007","335.4","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- B Co H O9 P2 Pb -","- B Co H O9 P2 Pb -","- B2 Co2 H2 O18 P4 Pb2 -","2","1","","Tanh Jeazet, H. B.; Menezes, P. W.; Hoffmann, S.; Prots, Yu.; Kniep, R.","Crystal structures of lead(II) cobalt(II) (monophosphate-hydrogenmonoborate- monophosphate), PbCo[BP~2~O~8~(OH)], and lead(II) zinc(II) (monophosphate- hydrogenmonoborate-monophosphate), PbZn[BP~2~O~8~(OH)]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","431","433","","","","0.71073","MoKα","","","0.0338","","","","0.0827","","","","","","1.117","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102961","10.936","0.001","10.936","0.001","8.943","0.002","90","","90","","120","","926.3","0.2","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","barium tetralithium","","- Ba Li4 -","- Ba Li4 -","- Ba6 Li24 -","6","0.25","","Smetana, V.; Babizhetskyy, V.; Hoch, C.; Simon, A.","Refinement of the crystal structure of barium tetralithium, BaLi~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","434","434","","","","0.71073","MoKα","","0.0328","0.0293","","","0.0665","0.0679","","","","","","1.099","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102962","8.3533","0.0012","9.1297","0.0011","12.7878","0.0016","92.292","0.01","101.471","0.01","92.586","0.011","953.6","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","strontium hexathiodiphosphate(IV) decahydrate","","- H20 O10 P2 S6 Sr2 -","- H20 O10 P2 S6 Sr2 -","- H40 O20 P4 S12 Sr4 -","2","1","","Ehrhardt, C.; Gjikaj, M.","Crystal structure of strontium hexathiodiphosphate(IV) decahydrate, Sr~2~[P~2~S~6~] · 10H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","437","438","","","","0.71073","MoKα","","0.0445","0.0337","","","0.0673","0.0704","","","","","","1.112","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103690","3.482","","5.262","","10.432","","90","","93.08","","90","","190.862","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Na2 C2 O4","","- C2 Na2 O4 -","- C2 Na2 O4 -","- C4 Na4 O8 -","2","0.5","","Boldyreva, E.V.; Ahsbahs, H.; Chernyshev, V.V.; Ivashevskaya, S.N.; Oganov, A.R.","Effect of hydrostatic pressure on the crystal structure of sodium oxalate: x-ray diffraction study and ab initio simulations","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","186","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","150500","2020-10-21","18:00:00",""
"8103691","31.39","","31.39","","7.5147","","90","","90","","120","","6412.46","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Si O2","","- O2 Si -","- O2 Si -","- O216 Si108 -","108","4.5","","Dorset, D.L.","The crystal structure of ZSM-10, a powder x-ray and electron diffraction study","Zeitschrift fuer Kristallographie (149,1979-)","2006","21","","260","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103695","5.5353","","6.0866","","7.7686","","85.641","","89.774","","82.509","","258.744","","","","","","","","","","","","","4","P -1","-P 1","2","","(U O2)2 (C2 O4) (O H)2 (H2 O)2","","- C2 H6 O12 U2 -","- C2 H6 O12 U2 -","- C2 H6 O12 U2 -","1","0.5","","Giesting, O.A.; Porter, N.J.; Burns, P.C.","Uranyl oxalate hydrates: structures and IR spectra","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","252","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","150908","2020-10-21","18:00:00",""
"8103696","5.5921","","16.9931","","9.3594","","90","","99.533","","90","","877.115","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(U O2) (C2 O4) (H2 O)3","","- C2 H6 O9 U -","- C2 H6 O9 U -","- C8 H24 O36 U4 -","4","1","","Giesting, O.A.; Burns, P.C.; Porter, N.J.","Uranyl oxalate hydrates: structures and IR spectra","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","252","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103699","6.8837","","6.8837","","11.5867","","90","","90","","90","","549.04","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","La1.8 Eu0.2 Ba Zn O5","","- Ba Eu0.2 La1.8 O5 Zn -","- Ba Eu0.2 La1.8 O5 Zn -","- Ba4 Eu0.8 La7.2 O20 Zn4 -","4","0.125","","Hernandez-Perez, A.; Bucio, L.; Ibarra-Palos, A.; Villafuerte-Castrejon, M.E.","Crystal chemistry study of the solid solutions in the system La2 Ba Zn O5-Eu2 Ba Zn O5","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","246","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103700","6.8315","","6.8315","","11.5637","","90","","90","","90","","539.671","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","La1.4 Eu0.6 Ba Zn O5","","- Ba Eu0.6 La1.4 O5 Zn -","- Ba Eu0.6 La1.4 O5 Zn -","- Ba4 Eu2.4 La5.6 O20 Zn4 -","4","0.125","","Hernandez-Perez, A.; Bucio, L.; Villafuerte-Castrejon, M.E.; Ibarra-Palos, A.","Crystal chemistry study of the solid solutions in the system La2 Ba Zn O5-Eu2 Ba Zn O5","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","246","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103701","6.804","","6.804","","11.5524","","90","","90","","90","","534.812","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","La1.2 Eu0.8 Ba Zn O5","","- Ba Eu0.8 La1.2 O5 Zn -","- Ba Eu0.8 La1.2 O5 Zn -","- Ba4 Eu3.2 La4.8 O20 Zn4 -","4","0.125","","Hernandez-Perez, A.; Bucio, L.; Ibarra-Palos, A.; Villafuerte-Castrejon, M.E.","Crystal chemistry study of the solid solutions in the system La2 Ba Zn O5-Eu2 Ba Zn O5","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","246","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103702","6.7789","","6.7789","","11.5416","","90","","90","","90","","530.377","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","La Eu Ba Zn O5","","- Ba Eu La O5 Zn -","- Ba Eu La O5 Zn -","- Ba4 Eu4 La4 O20 Zn4 -","4","0.125","","Hernandez-Perez, A.; Villafuerte-Castrejon, M.E.; Ibarra-Palos, A.; Bucio, L.","Crystal chemistry study of the solid solutions in the system La2 Ba Zn O5-Eu2 Ba Zn O5","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","246","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103703","6.7534","","6.7534","","11.5288","","90","","90","","90","","525.81","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","La0.8 Eu1.2 Ba Zn O5","","- Ba Eu1.2 La0.8 O5 Zn -","- Ba Eu1.2 La0.8 O5 Zn -","- Ba4 Eu4.8 La3.2 O20 Zn4 -","4","0.125","","Hernandez-Perez, A.; Ibarra-Palos, A.; Bucio, L.; Villafuerte-Castrejon, M.E.","Crystal chemistry study of the solid solutions in the system La2 Ba Zn O5-Eu2 Ba Zn O5","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","246","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103704","6.7271","","6.7271","","11.5238","","90","","90","","90","","521.497","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","La0.6 Eu1.4 Ba Zn O5","","- Ba Eu1.4 La0.6 O5 Zn -","- Ba Eu1.4 La0.6 O5 Zn -","- Ba4 Eu5.6 La2.4 O20 Zn4 -","4","0.125","","Hernandez-Perez, A.; Bucio, L.; Ibarra-Palos, A.; Villafuerte-Castrejon, M.E.","Crystal chemistry study of the solid solutions in the system La2 Ba Zn O5-Eu2 Ba Zn O5","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","246","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103711","13.759","","4.1684","","14.683","","90","","115.61","","90","","759.383","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cu1.78 Bi4.73 Se8","","- Bi4.73 Cu1.78 Se8 -","- Bi4.764 Cu1.74 Se8 -","- Bi9.528 Cu3.48 Se16 -","2","0.25","","Makovicky, E.; Sotofte, I.; Karup-Moller, S.","The crystal structure of Cu1.78 Bi4.73 Se8, an N = 3 pavonite homologue with a Cu-for-Bi substitution","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","122","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","151307","2020-10-21","18:00:00",""
"8103953","19.851","","12.24424","","9.52367","","90","","97.289","","90","","2296.12","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Bi6 Rh12 O29","","- Bi6 O29 Rh12 -","- Bi6 O29 Rh12 -","- Bi24 O116 Rh48 -","4","0.5","","Stowasser, F.; Renkenberger, C.","Ab initio crystal structure determination of Bi6 Rh12 O29 from powder diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","206","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","162460","2020-10-21","18:00:00",""
"8104019","6.7547","","8.316","","4.8769","","90","","113.179","","90","","251.832","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Mn H P2 O7","","- H Mn O7 P2 -","- Mn O7 P2 -","- Mn2 O14 P4 -","2","1","","Ivashkevich, L.S.; Selevich, K.A.; Lyakhov, A.S.; Lesnikovich, A.I.; Selevich, A.F.","Two isostructural manganese(III) diphosphates, acid alpha-Mn H P2 O7 and double Mn Li P2 O7: crystal structure determination from x-ray powder diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","115","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104020","7.0018","","8.1616","","4.7267","","90","","109.404","","90","","254.769","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Li Mn P2 O7","","- Li Mn O7 P2 -","- Li Mn O7 P2 -","- Li2 Mn2 O14 P4 -","2","1","","Ivashkevich, L.S.; Selevich, K.A.; Lesnikovich, A.I.; Selevich, A.F.; Lyakhov, A.S.","Two isostructural manganese(III) diphosphates, acid alpha-Mn H P2 O7 and double Mn Li P2 O7: crystal structure determination from x-ray powder diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","115","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9003869","11.543","","6.6764","","9.359","","90","","90","","90","","721.258","","","","","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","Mutnovskite","- As0.98 Bi0.02 Br0.09 Cl0.45 I0.46 Pb2 S2.979 Se0.021 -","- As0.98 Bi0.02 Br0.09 Cl0.45 I0.46 Pb2 S2.979 Se0.021 -","- As3.92 Bi0.08 Br0.36 Cl1.8 I1.84 Pb8 S11.916 Se0.084 -","4","0.5","","Zelenski, M.; Balic-Zunic T; Bindi, L.; Garavelli, A.; Makovicky, E.; Pinto, D.; Vurro, F.","First occurrence of iodine in natural sulfosalts: the case of mutnovskite, Pb2AsS3(I,Cl,Br), a new mineral from Mutnovsky volcano, Kamchatka Peninsula, Russian Federation Locality: Mutnovsky volcano, Kamchatka Peninsula, Russian Federation","American Mineralogist","2006","91","","21","28","10.2138/am.2006.1870","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003870","9.2099","","9.2099","","9.1894","","90","","90","","120","","675.037","","","","","","","","","","","","Shengus, Haramosh Mts, Gilgit, Northern Areas, Pakistan","5","P 6/m c c","-P 6 2c","192","","","Beryl","- Al2 Be3 H0.672 O18.34 Si6 -","- Al2 Be3 H0.672 O18.34 Si6 -","- Al4 Be6 H1.344 O36.68 Si12 -","2","0.0833333","","Gatta, G. D.; Nestola, F.; Bromiley, G. D.; Mattauch, S.","The real topological configuration of the extra-framework content in alkali-poor beryl: a multi-methodological study","American Mineralogist","2006","91","","29","34","10.2138/am.2006.1896","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9003871","8.959","","5.7226","","10.232","","90","","115.19","","90","","474.695","","","","","","","","","","","","","27","P 1 21/m 1","-P 2yb","11","","","Dissakisite-(La)","- Al1.836 Ca1.195 Ce0.262 Cr0.148 Er0.001 Fe0.404 Ga0.001 Gd0.001 H La0.315 Mg0.622 Mn0.009 Na0.002 Nd0.038 Ni0.01 O13 P0.009 Pr0.019 Sc0.002 Si2.97 Sm0.002 Sr0.01 Th0.09 Ti0.03 U0.003 V0.008 Zn0.015 -","- Al1.836 Ca1.195 Ce0.262 Cr0.148 Er0.001 Fe0.404 Ga0.001 Gd0.001 H La0.315 Mg0.622 Mn0.009 Na0.002 Nd0.038 Ni0.01 O13 P0.009 Pr0.019 Sc0.002 Si2.97 Sm0.002 Sr0.01 Th0.09 Ti0.03 U0.003 V0.008 Zn0.015 -","- Al3.672 Ca2.39 Ce0.524 Cr0.296 Er0.002 Fe0.808 Ga0.002 Gd0.002 H2 La0.63 Mg1.244 Mn0.018 Na0.004 Nd0.076 Ni0.02 O26 P0.018 Pr0.038 Sc0.004 Si5.94 Sm0.004 Sr0.02 Th0.18 Ti0.06 U0.006 V0.016 Zn0.03 -","2","0.5","","Lavina, B.; Carbonin, S.; Russo, U.; Tumiati, S.","The crystal structure of dissakisite-(La) and structural variations after annealing of radiation damage Sample: untreated DISS3","American Mineralogist","2006","91","","104","110","10.2138/am.2006.1721","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9003872","8.931","","5.699","","10.182","","90","","115.16","","90","","469.072","","","","","","","","","","annealed 700 C for 3 hours","","","27","P 1 21/m 1","-P 2yb","11","","","Dissakisite-(La)","- Al1.836 Ca1.195 Ce0.262 Cr0.148 Er0.001 Fe0.404 Ga0.001 Gd0.001 H La0.315 Mg0.622 Mn0.009 Na0.002 Nd0.038 Ni0.01 O13 P0.009 Pr0.019 Sc0.002 Si2.97 Sm0.002 Sr0.01 Th0.09 Ti0.03 U0.003 V0.008 Zn0.015 -","- Al1.836 Ca1.195 Ce0.262 Cr0.148 Er0.001 Fe0.404 Ga0.001 Gd0.001 H La0.315 Mg0.622 Mn0.009 Na0.002 Nd0.038 Ni0.01 O13 P0.009 Pr0.019 Sc0.002 Si2.97 Sm0.002 Sr0.01 Th0.09 Ti0.03 U0.003 V0.008 Zn0.015 -","- Al3.672 Ca2.39 Ce0.524 Cr0.296 Er0.002 Fe0.808 Ga0.002 Gd0.002 H2 La0.63 Mg1.244 Mn0.018 Na0.004 Nd0.076 Ni0.02 O26 P0.018 Pr0.038 Sc0.004 Si5.94 Sm0.004 Sr0.02 Th0.18 Ti0.06 U0.006 V0.016 Zn0.03 -","2","0.5","","Lavina, B.; Carbonin, S.; Russo, U.; Tumiati, S.","The crystal structure of dissakisite-(La) and structural variations after annealing of radiation damage Sample: DISS3 annealed 700 C for 3 hours","American Mineralogist","2006","91","","104","110","10.2138/am.2006.1721","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9003873","8.934","","5.6939","","10.18","","90","","115.153","","90","","468.745","","","","","","","","","","annealed 700 C","","","27","P 1 21/m 1","-P 2yb","11","","","Dissakisite-(La)","- Al1.836 Ca1.195 Ce0.262 Cr0.148 Er0.001 Fe0.404 Ga0.001 Gd0.001 H La0.315 Mg0.622 Mn0.009 Na0.002 Nd0.038 Ni0.01 O13 P0.009 Pr0.019 Sc0.002 Si2.97 Sm0.002 Sr0.01 Th0.09 Ti0.03 U0.003 V0.008 Zn0.015 -","- Al1.836 Ca1.195 Ce0.262 Cr0.148 Er0.001 Fe0.404 Ga0.001 Gd0.001 H La0.315 Mg0.622 Mn0.009 Na0.002 Nd0.038 Ni0.01 O13 P0.009 Pr0.019 Sc0.002 Si2.97 Sm0.002 Sr0.01 Th0.09 Ti0.03 U0.003 V0.008 Zn0.015 -","- Al3.672 Ca2.39 Ce0.524 Cr0.296 Er0.002 Fe0.808 Ga0.002 Gd0.002 H2 La0.63 Mg1.244 Mn0.018 Na0.004 Nd0.076 Ni0.02 O26 P0.018 Pr0.038 Sc0.004 Si5.94 Sm0.004 Sr0.02 Th0.18 Ti0.06 U0.006 V0.016 Zn0.03 -","2","0.5","","Lavina, B.; Carbonin, S.; Russo, U.; Tumiati, S.","The crystal structure of dissakisite-(La) and structural variations after annealing of radiation damage Sample: DISS3 annealed 700 C for 18 (3+15) hours","American Mineralogist","2006","91","","104","110","10.2138/am.2006.1721","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9003874","8.742","","5.112","","9.801","","90","","94.54","","90","","436.624","","","","","","","","","","","","hypothetical structure calculated with DFT","3","P 1 21/n 1","-P 2yn","14","","","Gibbsite","- Al H3 O3 -","- Al H3 O3 -","- Al8 H24 O24 -","8","2","","Balan, E.; Lazzeri, M.; Morin, G.; Mauri, F.","First-principles study of the OH-stretching modes of gibbsite","American Mineralogist","2006","91","","115","119","10.2138/am.2006.1922","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003875","5.5407","","5.5407","","4.8435","","90","","90","","120","","128.771","","","","","","","","300000","","","","hypothetical structure calculated with DFT","3","P -3","-P 3","147","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H6 Mg3 O6 -","3","0.5","","Mookherjee, M.; Stixrude, L.","High-pressure proton disorder in brucite Sample: P = .3 GPa Note: cell adjusted to match Figure 2","American Mineralogist","2006","91","","127","134","10.2138/am.2006.1886","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003876","5.3498","","5.3498","","4.4014","","90","","90","","120","","109.093","","","","","","","","8400000","","","","hypothetical structure calculated with DFT","3","P -3","-P 3","147","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H6 Mg3 O6 -","3","0.5","","Mookherjee, M.; Stixrude, L.","High-pressure proton disorder in brucite Sample: P = 8.4 GPa Note: cell adjusted to match Figure 2","American Mineralogist","2006","91","","127","134","10.2138/am.2006.1886","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003877","4.5804","","4.5804","","4.8435","","90","","90","","120","","88.003","","","","","","","","119100000","","","","hypothetical structure calculated with DFT","3","P -3","-P 3","147","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H6 Mg3 O6 -","3","0.5","","Mookherjee, M.; Stixrude, L.","High-pressure proton disorder in brucite Sample: P = 119.1 GPa Note: cell adjusted to match Figure 2","American Mineralogist","2006","91","","127","134","10.2138/am.2006.1886","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003878","5.31","","9.193","","10.096","","90","","100","","90","","485.347","","","","","","","","","","","","Mt. Vulture, Potenza, Italy","13","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.38 Ba0.05 Cl0.02 F0.83 Fe0.88 H1.1 K0.78 Li0.02 Mg1.65 Na0.12 O11.14 Si2.56 Ti0.31 -","- Al1.38 Ba0.05 Cl0.02 F0.83 Fe0.88 H1.1 K0.78 Li0.02 Mg1.65 Na0.12 O11.14 Si2.56 Ti0.31 -","- Al2.76 Ba0.1 Cl0.04 F1.66 Fe1.76 H2.2 K1.56 Li0.04 Mg3.3 Na0.24 O22.28 Si5.12 Ti0.62 -","2","0.25","","Mesto, E.; Schingaro, E.; Scordari, F.; Ottolini, L.","An electron microprobe analysis, secondary ion mass spectrometry and single crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy: Consideration of cation partioning Locality: Mt. Vulture, Potenza, Italy Sample: LC7-1R Note: mica","American Mineralogist","2006","91","","182","190","10.2138/am.2006.1882","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:17",""
"9003879","5.315","","9.209","","10.226","","90","","99.97","","90","","492.962","","","","","","","","","","","","Mt. Vulture, Potenza, Italy","11","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.47 Ba0.02 F0.12 Fe0.53 H1.8 K0.85 Mg2.18 Na0.11 O11.88 Si2.66 Ti0.16 -","- Al1.47 Ba0.02 F0.12 Fe0.53 H1.8 K0.85 Mg2.18 Na0.11 O11.88 Si2.66 Ti0.16 -","- Al2.94 Ba0.04 F0.24 Fe1.06 H3.6 K1.7 Mg4.36 Na0.22 O23.76 Si5.32 Ti0.32 -","2","0.25","","Mesto, E.; Schingaro, E.; Scordari, F.; Ottolini, L.","An electron microprobe analysis, secondary ion mass spectrometry and single crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy: Consideration of cation partioning Locality: Mt. Vulture, Potenza, Italy Sample: LC7-3Go Note: mica","American Mineralogist","2006","91","","182","190","10.2138/am.2006.1882","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:17",""
"9003880","5.346","","9.257","","10.312","","90","","99.97","","90","","502.613","","","","","","","","","","","","Mt. Vulture, Potenza, Italy","11","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.5 Ba0.04 F0.37 Fe0.38 H1.61 K0.9 Mg2.36 Na0.05 O11.63 Si2.68 Ti0.06 -","- Al1.5 Ba0.04 F0.37 Fe0.38 H1.61 K0.9 Mg2.36 Na0.05 O11.63 Si2.68 Ti0.06 -","- Al3 Ba0.08 F0.74 Fe0.76 H3.22 K1.8 Mg4.72 Na0.1 O23.26 Si5.36 Ti0.12 -","2","0.25","","Mesto, E.; Schingaro, E.; Scordari, F.; Ottolini, L.","An electron microprobe analysis, secondary ion mass spectrometry and single crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy: Consideration of cation partioning Locality: Mt. Vulture, Potenza, Italy Sample: LC7-27Go Note: mica","American Mineralogist","2006","91","","182","190","10.2138/am.2006.1882","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:17",""
"9003881","17.102","","5.0253","","7.0579","","90","","106.636","","90","","581.185","","","","","","","","","","","","Sludyanka complex at the southern shore of Lake Baikal, Russia","5","C 1 2/c 1","-C 2yc","15","","","Schreyerite","- Cr0.158 Fe0.036 O9 Ti2.535 V2.254 -","- Cr0.158 Fe0.036 O9 Ti2.535 V2.254 -","- Cr0.632 Fe0.144 O36 Ti10.14 V9.016 -","4","0.5","","Dobelin, N.; Reznitsky, L. Z.; Sklyarov, E. V.; Armbruster, T.; Medenbach, O.","Schreyerite, V2Ti3O9: New occurrence and crystal structure","American Mineralogist","2006","91","","196","202","10.2138/am.2006.1893","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003882","13.1988","","13.1988","","6.6288","","90","","90","","90","","1154.79","","","","","","","","0","","","","Mt. Saint-Hilaire, Quebec, Canada","6","I -4 2 d","I -4 2bw","122","","","Gonnardite","- Al2.315 Ca0.474 H4.06 Na1.462 O12.74 Si2.685 -","- Al2.315 Ca0.474 H5.48 Na1.462 O12.74 Si2.685 -","- Al9.26 Ca1.896 H21.92 Na5.848 O50.96 Si10.74 -","4","0.25","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 0 GPa","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003883","6.58","","19.002","","9.936","","90","","108.97","","90","","1174.86","","","","","","","","400000","","","","Mt. Saint-Hilaire, Quebec, Canada","6","C 1 c 1","C -2yc","9","","","Paranatrolite","- Al2.315 Ca0.474 H2.03 Na1.462 O13 Si2.685 -","- Al2.315 Ca0.474 H6 Na1.462 O13 Si2.685 -","- Al9.26 Ca1.896 H24 Na5.848 O52 Si10.74 -","4","1","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 0.4 GPa","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003884","6.567","","18.963","","9.975","","90","","108.49","","90","","1178.06","","","","","","","","800000","","","","Mt. Saint-Hilaire, Quebec, Canada","6","C 1 c 1","C -2yc","9","","","Paranatrolite","- Al2.315 Ca0.474 H2.02 Na1.462 O13 Si2.685 -","- Al2.315 Ca0.474 H6 Na1.462 O13 Si2.685 -","- Al9.26 Ca1.896 H24 Na5.848 O52 Si10.74 -","4","1","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 0.8 GPa","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003885","6.556","","18.95","","9.972","","90","","108.47","","90","","1175.07","","","","","","","","1100000","","","","Mt. Saint-Hilaire, Quebec, Canada","6","C 1 c 1","C -2yc","9","","","Paranatrolite","- Al2.315 Ca0.474 H2.02 Na1.462 O13 Si2.685 -","- Al2.315 Ca0.474 H6 Na1.462 O13 Si2.685 -","- Al9.26 Ca1.896 H24 Na5.848 O52 Si10.74 -","4","1","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 1.1 GPa","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003886","6.512","","18.85","","9.901","","90","","108.73","","90","","1151","","","","","","","","2500000","","","","Mt. Saint-Hilaire, Quebec, Canada","6","C 1 c 1","C -2yc","9","","","Paranatrolite","- Al2.315 Ca0.474 H2.02 Na1.462 O13 Si2.685 -","- Al2.315 Ca0.474 H6 Na1.462 O13 Si2.685 -","- Al9.26 Ca1.896 H24 Na5.848 O52 Si10.74 -","4","1","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 2.5 GPa","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003887","12.959","","12.959","","6.5446","","90","","90","","90","","1099.07","","","","","","","","4200000","","","","Mt. Saint-Hilaire, Quebec, Canada","6","I -4 2 d","I -4 2bw","122","","","Gonnardite","- Al2.315 Ca0.474 H4 Na1.462 O14 Si2.685 -","- Al2.315 Ca0.474 H8 Na1.462 O14 Si2.685 -","- Al9.26 Ca1.896 H32 Na5.848 O56 Si10.74 -","4","0.25","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 4.2 GPa Note: high-pressure superhydrated phase","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003888","12.91","","12.91","","6.54","","90","","90","","90","","1090.01","","","","","","","","5400000","","","","Mt. Saint-Hilaire, Quebec, Canada","6","I -4 2 d","I -4 2bw","122","","","Gonnardite","- Al2.315 Ca0.474 H4 Na1.462 O14 Si2.685 -","- Al2.315 Ca0.474 H8 Na1.462 O14 Si2.685 -","- Al9.26 Ca1.896 H32 Na5.848 O56 Si10.74 -","4","0.25","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 5.4 GPa on release Note: high-pressure superhydrated phase","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003889","12.761","","12.761","","6.5127","","90","","90","","90","","1060.55","","","","","","","","6900000","","","","Mt. Saint-Hilaire, Quebec, Canada","6","I -4 2 d","I -4 2bw","122","","","Gonnardite","- Al2.315 Ca0.474 H4 Na1.462 O14 Si2.685 -","- Al2.315 Ca0.474 H8 Na1.462 O14 Si2.685 -","- Al9.26 Ca1.896 H32 Na5.848 O56 Si10.74 -","4","0.25","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 6.9 GPa Note: high-pressure superhydrated phase","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003890","14.166","","6.534","","10.838","","90","","105.922","","90","","964.687","","","","","","","","","","","","Big Mike mine, Nevada, USA","5","P 1 21/c 1","-P 2ybc","14","","","Alpersite","- Cu0.317 H14 Mg0.683 O11 S -","- Cu0.317 H14 Mg0.683 O11 S -","- Cu1.268 H56 Mg2.732 O44 S4 -","4","1","","Peterson, R. C.; Hammarstrom, J. M.; Seal II R R","Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian pentahydrite: Their occurrence within mine waste Locality: Big Mike mine, Nevada, USA","American Mineralogist","2006","91","","261","269","10.2138/am.2006.1911","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003891","14.189","","6.547","","10.83","","90","","105.872","","90","","967.701","","","","","","","","","","","","Miami, Arizona, USA","5","P 1 21/c 1","-P 2ybc","14","","","Alpersite","- Cu0.445 H14 Mg0.555 O11 S -","- Cu0.445 H14 Mg0.555 O11 S -","- Cu1.78 H56 Mg2.22 O44 S4 -","4","1","","Peterson, R. C.; Hammarstrom, J. M.; Seal, R. R.","Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian pentahydrite: Their occurrence within mine waste Locality: Miami, Arizona, USA","American Mineralogist","2006","91","","261","269","10.2138/am.2006.1911","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003892","6.249","","10.5846","","6.0384","","82.461","","109.433","","104.805","","363.674","","","","","","","","","","","","Big Mike mine, Nevada, USA","5","P -1","-P 1","2","","","Pentahydrite","- Cu0.55 H10 Mg0.45 O9 S -","- Cu0.55 H10 Mg0.45 O9 S -","- Cu1.1 H20 Mg0.9 O18 S2 -","2","1","","Peterson, R. C.; Hammarstrom, J. M.; Seal, R. R.","Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian pentahydrite: Their occurrence within mine waste Locality: Big Mike mine, Nevada, USA","American Mineralogist","2006","91","","261","269","10.2138/am.2006.1911","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003893","6.247","","10.5995","","6.0395","","82.53","","109.408","","104.794","","364.231","","","","","","","","","","","","Miami, Arizona, USA","5","P -1","-P 1","2","","","Pentahydrite","- Cu0.6 H10 Mg0.4 O9 S -","- Cu0.6 H10 Mg0.4 O9 S -","- Cu1.2 H20 Mg0.8 O18 S2 -","2","1","","Peterson, R. C.; Hammarstrom, J. M.; Seal, R. R.","Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian pentahydrite: Their occurrence within mine waste Locality: Miami, Arizona, USA","American Mineralogist","2006","91","","261","269","10.2138/am.2006.1911","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003894","8.1154","","8.1154","","8.1154","","90","","90","","90","","534.478","","","","298.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.799 Fe0.201 Mg1.002 O4 -","- Al1.799 Fe0.201 Mg1.002 O4 -","- Al14.392 Fe1.608 Mg8.016 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe20, T = 25 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003895","8.1256","","8.1256","","8.1256","","90","","90","","90","","536.496","","","","473.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.802 Fe0.199 Mg0.998 O4 -","- Al1.802 Fe0.199 Mg0.998 O4 -","- Al14.416 Fe1.592 Mg7.984 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe20, T = 200 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003896","8.1399","","8.1399","","8.1399","","90","","90","","90","","539.333","","","","673.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.801 Fe0.199 Mg0.999 O4 -","- Al1.801 Fe0.199 Mg0.999 O4 -","- Al14.408 Fe1.592 Mg7.992 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe20, T = 400 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003897","8.1438","","8.1438","","8.1438","","90","","90","","90","","540.109","","","","723.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.801 Fe0.2 Mg0.999 O4 -","- Al1.801 Fe0.2 Mg0.999 O4 -","- Al14.408 Fe1.6 Mg7.992 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe20, T = 450 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003898","8.1482","","8.1482","","8.1482","","90","","90","","90","","540.985","","","","773.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.8 Fe0.2 Mg0.997 O4 -","- Al1.8 Fe0.2 Mg0.997 O4 -","- Al14.4 Fe1.6 Mg7.976 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe20, T = 500 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003899","8.152","","8.152","","8.152","","90","","90","","90","","541.742","","","","823.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.801 Fe0.199 Mg0.999 O4 -","- Al1.801 Fe0.199 Mg0.999 O4 -","- Al14.408 Fe1.592 Mg7.992 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe20, T = 550 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003900","8.1564","","8.1564","","8.1564","","90","","90","","90","","542.62","","","","873.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.801 Fe0.2 Mg O4 -","- Al1.801 Fe0.2 Mg O4 -","- Al14.408 Fe1.6 Mg8 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe20, T = 600 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003901","8.1606","","8.1606","","8.1606","","90","","90","","90","","543.458","","","","923.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.801 Fe0.2 Mg0.999 O4 -","- Al1.801 Fe0.2 Mg0.999 O4 -","- Al14.408 Fe1.6 Mg7.992 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe20, T = 650 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003902","8.1643","","8.1643","","8.1643","","90","","90","","90","","544.198","","","","973.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.798 Fe0.201 Mg1.002 O4 -","- Al1.798 Fe0.201 Mg1.002 O4 -","- Al14.384 Fe1.608 Mg8.016 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe20, T = 700 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003903","8.1721","","8.1721","","8.1721","","90","","90","","90","","545.759","","","","1073.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.798 Fe0.201 Mg1.002 O4 -","- Al1.798 Fe0.201 Mg1.002 O4 -","- Al14.384 Fe1.608 Mg8.016 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe20, T = 800 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003904","8.18","","8.18","","8.18","","90","","90","","90","","547.343","","","","1173.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.797 Fe0.202 Mg1.002 O4 -","- Al1.797 Fe0.202 Mg1.002 O4 -","- Al14.376 Fe1.616 Mg8.016 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe20, T = 900 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003905","8.1871","","8.1871","","8.1871","","90","","90","","90","","548.77","","","","1273.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.797 Fe0.201 Mg1.002 O4 -","- Al1.797 Fe0.201 Mg1.002 O4 -","- Al14.376 Fe1.608 Mg8.016 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe20, T = 1000 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003906","8.1898","","8.1898","","8.1898","","90","","90","","90","","549.313","","","","1323.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.797 Fe0.201 Mg1.002 O4 -","- Al1.797 Fe0.201 Mg1.002 O4 -","- Al14.376 Fe1.608 Mg8.016 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe20, T = 1050 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003907","8.1082","","8.1082","","8.1082","","90","","90","","90","","533.057","","","","298.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.845 Fe0.14 Mg1.014 O4 -","- Al1.845 Fe0.14 Mg1.014 O4 -","- Al14.76 Fe1.12 Mg8.112 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe14, T = 25 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003908","8.1184","","8.1184","","8.1184","","90","","90","","90","","535.071","","","","473.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.844 Fe0.143 Mg1.012 O4 -","- Al1.844 Fe0.143 Mg1.012 O4 -","- Al14.752 Fe1.144 Mg8.096 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe14, T = 200 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003909","8.1328","","8.1328","","8.1328","","90","","90","","90","","537.923","","","","673.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.844 Fe0.142 Mg1.012 O4 -","- Al1.844 Fe0.142 Mg1.012 O4 -","- Al14.752 Fe1.136 Mg8.096 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe14, T = 400 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003910","8.1365","","8.1365","","8.1365","","90","","90","","90","","538.658","","","","723.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.844 Fe0.142 Mg1.013 O4 -","- Al1.844 Fe0.142 Mg1.013 O4 -","- Al14.752 Fe1.136 Mg8.104 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe14, T = 450 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003911","8.1408","","8.1408","","8.1408","","90","","90","","90","","539.512","","","","773.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.845 Fe0.142 Mg1.013 O4 -","- Al1.845 Fe0.142 Mg1.013 O4 -","- Al14.76 Fe1.136 Mg8.104 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe14, T = 500 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003912","8.1447","","8.1447","","8.1447","","90","","90","","90","","540.288","","","","823.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.845 Fe0.142 Mg1.012 O4 -","- Al1.845 Fe0.142 Mg1.012 O4 -","- Al14.76 Fe1.136 Mg8.096 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe14, T = 550 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003913","8.1489","","8.1489","","8.1489","","90","","90","","90","","541.124","","","","873.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.843 Fe0.142 Mg1.013 O4 -","- Al1.843 Fe0.142 Mg1.013 O4 -","- Al14.744 Fe1.136 Mg8.104 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe14, T = 600 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003914","8.1529","","8.1529","","8.1529","","90","","90","","90","","541.921","","","","923.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.844 Fe0.143 Mg1.013 O4 -","- Al1.844 Fe0.143 Mg1.013 O4 -","- Al14.752 Fe1.144 Mg8.104 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe14, T = 650 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003915","8.1571","","8.1571","","8.1571","","90","","90","","90","","542.759","","","","973.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.845 Fe0.141 Mg1.014 O4 -","- Al1.845 Fe0.141 Mg1.014 O4 -","- Al14.76 Fe1.128 Mg8.112 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe14, T = 700 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003916","8.1648","","8.1648","","8.1648","","90","","90","","90","","544.298","","","","1073.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.844 Fe0.14 Mg1.015 O4 -","- Al1.844 Fe0.14 Mg1.015 O4 -","- Al14.752 Fe1.12 Mg8.12 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe14, T = 800 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003917","8.1727","","8.1727","","8.1727","","90","","90","","90","","545.879","","","","1173.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.844 Fe0.141 Mg1.016 O4 -","- Al1.844 Fe0.141 Mg1.016 O4 -","- Al14.752 Fe1.128 Mg8.128 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe14, T = 900 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003918","8.1802","","8.1802","","8.1802","","90","","90","","90","","547.384","","","","1273.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.844 Fe0.14 Mg1.016 O4 -","- Al1.844 Fe0.14 Mg1.016 O4 -","- Al14.752 Fe1.12 Mg8.128 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe14, T = 1000 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003919","8.1841","","8.1841","","8.1841","","90","","90","","90","","548.167","","","","1323.15","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.843 Fe0.14 Mg1.017 O4 -","- Al1.843 Fe0.14 Mg1.017 O4 -","- Al14.744 Fe1.12 Mg8.136 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: MgFe14, T = 1050 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003920","8.0973","","8.0973","","8.0973","","90","","90","","90","","530.91","","","","298.15","","","","","","","","Shishimsk Mountains, Urals, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.914 Fe0.082 Mg0.99 O4 -","- Al1.914 Fe0.082 Mg0.99 O4 -","- Al15.312 Fe0.656 Mg7.92 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: 3dis, T = 25 C, untreated","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003921","8.0937","","8.0937","","8.0937","","90","","90","","90","","530.202","","","","298.15","","","","","","","","Shishimsk Mountains, Urals, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.918 Fe0.085 Mg0.99 O4 -","- Al1.918 Fe0.085 Mg0.99 O4 -","- Al15.344 Fe0.68 Mg7.92 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: 3dis, T = 25 C, quenced from 1000 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003922","8.1039","","8.1039","","8.1039","","90","","90","","90","","532.209","","","","473.15","","","","","","","","Shishimsk Mountains, Urals, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.929 Fe0.073 Mg0.988 O4 -","- Al1.929 Fe0.073 Mg0.988 O4 -","- Al15.432 Fe0.584 Mg7.904 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: 3dis, T = 200 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003923","8.1179","","8.1179","","8.1179","","90","","90","","90","","534.972","","","","673.15","","","","","","","","Shishimsk Mountains, Urals, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.924 Fe0.079 Mg0.997 O4 -","- Al1.924 Fe0.079 Mg0.997 O4 -","- Al15.392 Fe0.632 Mg7.976 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: 3dis, T = 400 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003924","8.1219","","8.1219","","8.1219","","90","","90","","90","","535.763","","","","723.15","","","","","","","","Shishimsk Mountains, Urals, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.924 Fe0.079 Mg0.989 O4 -","- Al1.924 Fe0.079 Mg0.989 O4 -","- Al15.392 Fe0.632 Mg7.912 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: 3dis, T = 450 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003925","8.1256","","8.1256","","8.1256","","90","","90","","90","","536.496","","","","773.15","","","","","","","","Shishimsk Mountains, Urals, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.923 Fe0.08 Mg0.989 O4 -","- Al1.923 Fe0.08 Mg0.989 O4 -","- Al15.384 Fe0.64 Mg7.912 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: 3dis, T = 500 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003926","8.1292","","8.1292","","8.1292","","90","","90","","90","","537.209","","","","823.15","","","","","","","","Shishimsk Mountains, Urals, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.929 Fe0.074 Mg0.99 O4 -","- Al1.929 Fe0.074 Mg0.99 O4 -","- Al15.432 Fe0.592 Mg7.92 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: 3dis, T = 550 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003927","8.134","","8.134","","8.134","","90","","90","","90","","538.161","","","","873.15","","","","","","","","Shishimsk Mountains, Urals, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.928 Fe0.074 Mg0.991 O4 -","- Al1.928 Fe0.074 Mg0.991 O4 -","- Al15.424 Fe0.592 Mg7.928 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: 3dis, T = 600 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003928","8.1386","","8.1386","","8.1386","","90","","90","","90","","539.075","","","","923.15","","","","","","","","Shishimsk Mountains, Urals, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.923 Fe0.078 Mg0.991 O4 -","- Al1.923 Fe0.078 Mg0.991 O4 -","- Al15.384 Fe0.624 Mg7.928 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: 3dis, T = 650 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003929","8.1423","","8.1423","","8.1423","","90","","90","","90","","539.81","","","","973.15","","","","","","","","Shishimsk Mountains, Urals, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.924 Fe0.079 Mg0.992 O4 -","- Al1.924 Fe0.079 Mg0.992 O4 -","- Al15.392 Fe0.632 Mg7.936 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: 3dis, T = 700 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003930","8.15","","8.15","","8.15","","90","","90","","90","","541.343","","","","1073.15","","","","","","","","Shishimsk Mountains, Urals, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.926 Fe0.075 Mg0.992 O4 -","- Al1.926 Fe0.075 Mg0.992 O4 -","- Al15.408 Fe0.6 Mg7.936 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: 3dis, T = 800 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003931","8.1581","","8.1581","","8.1581","","90","","90","","90","","542.959","","","","1173.15","","","","","","","","Shishimsk Mountains, Urals, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.914 Fe0.086 Mg0.993 O4 -","- Al1.914 Fe0.086 Mg0.993 O4 -","- Al15.312 Fe0.688 Mg7.944 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: 3dis, T = 900 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003932","8.1652","","8.1652","","8.1652","","90","","90","","90","","544.378","","","","1273.15","","","","","","","","Shishimsk Mountains, Urals, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.917 Fe0.084 Mg0.994 O4 -","- Al1.917 Fe0.084 Mg0.994 O4 -","- Al15.336 Fe0.672 Mg7.952 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: 3dis, T = 1000 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003933","8.1678","","8.1678","","8.1678","","90","","90","","90","","544.898","","","","1323.15","","","","","","","","Shishimsk Mountains, Urals, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.914 Fe0.085 Mg0.995 O4 -","- Al1.914 Fe0.085 Mg0.995 O4 -","- Al15.312 Fe0.68 Mg7.96 O32 -","8","0.0416667","","Martignago, F.; Andreozzi, G. B.; Dal Negro, A.","Thermodynamics and kinetics of cation ordering in natural and synthetic Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction Sample: 3dis, T = 1050 C","American Mineralogist","2006","91","","306","312","10.2138/am.2006.1880","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003934","8.0889","","8.0889","","8.0889","","90","","90","","90","","529.259","","","","","","","","","","","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.827 Cr0.03 Mg1.143 O4 -","- Al1.827 Cr0.03 Mg1.143 O4 -","- Al14.616 Cr0.24 Mg9.144 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, untreated","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003935","8.0889","","8.0889","","8.0889","","90","","90","","90","","529.259","","","","","","","","","","annealed at T = 650 C, disordering, t = 60 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.827 Cr0.03 Mg1.143 O4 -","- Al1.827 Cr0.03 Mg1.143 O4 -","- Al14.616 Cr0.24 Mg9.144 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, disordering, t = 60 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003936","8.0889","","8.0889","","8.0889","","90","","90","","90","","529.259","","","","","","","","","","annealed at T = 650 C, disordering, t = 180 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.828 Cr0.03 Mg1.142 O4 -","- Al1.828 Cr0.03 Mg1.142 O4 -","- Al14.624 Cr0.24 Mg9.136 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, disordering, t = 180 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003937","8.0889","","8.0889","","8.0889","","90","","90","","90","","529.259","","","","","","","","","","annealed at T = 650 C, disordering, t = 420 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.826 Cr0.03 Mg1.144 O4 -","- Al1.826 Cr0.03 Mg1.144 O4 -","- Al14.608 Cr0.24 Mg9.152 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, disordering, t = 420 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003938","8.0889","","8.0889","","8.0889","","90","","90","","90","","529.259","","","","","","","","","","annealed at T = 650 C, disordering, t = 840 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.826 Cr0.03 Mg1.144 O4 -","- Al1.826 Cr0.03 Mg1.144 O4 -","- Al14.608 Cr0.24 Mg9.152 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, disordering, t = 840 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003939","8.0888","","8.0888","","8.0888","","90","","90","","90","","529.24","","","","","","","","","","annealed at T = 650 C, disordering, t = 2520 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.822 Cr0.03 Mg1.148 O4 -","- Al1.822 Cr0.03 Mg1.148 O4 -","- Al14.576 Cr0.24 Mg9.184 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, disordering, t = 2520 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003940","8.0889","","8.0889","","8.0889","","90","","90","","90","","529.259","","","","","","","","","","annealed at T = 650 C, disordering, t = 3960 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.819 Cr0.03 Mg1.151 O4 -","- Al1.819 Cr0.03 Mg1.151 O4 -","- Al14.552 Cr0.24 Mg9.208 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, disordering, t = 3960 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003941","8.0888","","8.0888","","8.0888","","90","","90","","90","","529.24","","","","","","","","","","annealed at T = 650 C, disordering, t = 7980 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.814 Cr0.03 Mg1.156 O4 -","- Al1.814 Cr0.03 Mg1.156 O4 -","- Al14.512 Cr0.24 Mg9.248 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, disordering, t = 7980 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003942","8.0887","","8.0887","","8.0887","","90","","90","","90","","529.22","","","","","","","","","","annealed at T = 650 C, disordering, t = 15840 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.811 Cr0.03 Mg1.159 O4 -","- Al1.811 Cr0.03 Mg1.159 O4 -","- Al14.488 Cr0.24 Mg9.272 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, disordering, t = 15840 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003943","8.0887","","8.0887","","8.0887","","90","","90","","90","","529.22","","","","","","","","","","annealed at T = 650 C, disordering, t = 33120 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.803 Cr0.03 Mg1.167 O4 -","- Al1.803 Cr0.03 Mg1.167 O4 -","- Al14.424 Cr0.24 Mg9.336 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, disordering, t = 33120 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003944","8.0865","","8.0865","","8.0865","","90","","90","","90","","528.788","","","","","","","","","","annealed at T = 650 C, ordering, t = 0 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.699 Cr0.03 Mg1.271 O4 -","- Al1.699 Cr0.03 Mg1.271 O4 -","- Al13.592 Cr0.24 Mg10.168 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, ordering, t = 0 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003945","8.0862","","8.0862","","8.0862","","90","","90","","90","","528.729","","","","","","","","","","annealed at T = 650 C, ordering, t = 12 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.712 Cr0.03 Mg1.258 O4 -","- Al1.712 Cr0.03 Mg1.258 O4 -","- Al13.696 Cr0.24 Mg10.064 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, ordering, t = 12 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003946","8.0863","","8.0863","","8.0863","","90","","90","","90","","528.749","","","","","","","","","","annealed at T = 650 C, ordering, t = 36 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.713 Cr0.03 Mg1.257 O4 -","- Al1.713 Cr0.03 Mg1.257 O4 -","- Al13.704 Cr0.24 Mg10.056 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, ordering, t = 36 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003947","8.0876","","8.0876","","8.0876","","90","","90","","90","","529.004","","","","","","","","","","annealed at T = 650 C, ordering, t = 120 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.744 Cr0.03 Mg1.226 O4 -","- Al1.744 Cr0.03 Mg1.226 O4 -","- Al13.952 Cr0.24 Mg9.808 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, ordering, t = 120 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003948","8.0881","","8.0881","","8.0881","","90","","90","","90","","529.102","","","","","","","","","","annealed at T = 650 C, ordering, t = 240 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.767 Cr0.03 Mg1.203 O4 -","- Al1.767 Cr0.03 Mg1.203 O4 -","- Al14.136 Cr0.24 Mg9.624 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, ordering, t = 240 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003949","8.0883","","8.0883","","8.0883","","90","","90","","90","","529.141","","","","","","","","","","annealed at T = 650 C, ordering, t = 480 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.767 Cr0.03 Mg1.203 O4 -","- Al1.767 Cr0.03 Mg1.203 O4 -","- Al14.136 Cr0.24 Mg9.624 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, ordering, t = 480 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003950","8.0882","","8.0882","","8.0882","","90","","90","","90","","529.122","","","","","","","","","","annealed at T = 650 C, ordering, t = 960 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.77 Cr0.03 Mg1.2 O4 -","- Al1.77 Cr0.03 Mg1.2 O4 -","- Al14.16 Cr0.24 Mg9.6 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, ordering, t = 960 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003951","8.0882","","8.0882","","8.0882","","90","","90","","90","","529.122","","","","","","","","","","annealed at T = 650 C, ordering, t = 6660 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.77 Cr0.03 Mg1.2 O4 -","- Al1.77 Cr0.03 Mg1.2 O4 -","- Al14.16 Cr0.24 Mg9.6 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, ordering, t = 6660 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003952","8.0882","","8.0882","","8.0882","","90","","90","","90","","529.122","","","","","","","","","","annealed at T = 650 C, ordering, t = 26820 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.772 Cr0.03 Mg1.208 O4 -","- Al1.772 Cr0.03 Mg1.208 O4 -","- Al14.176 Cr0.24 Mg9.664 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, annealed at T = 650 C, ordering, t = 26820 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003953","8.0928","","8.0928","","8.0928","","90","","90","","90","","530.025","","","","","","","","","","","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.808 Cr0.057 Mg1.135 O4 -","- Al1.808 Cr0.057 Mg1.135 O4 -","- Al14.464 Cr0.456 Mg9.08 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch1, untreated","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003954","8.0907","","8.0907","","8.0907","","90","","90","","90","","529.613","","","","","","","","","","annealed at T = 850 C, ordering, t = 0 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.679 Cr0.057 Mg1.264 O4 -","- Al1.679 Cr0.057 Mg1.264 O4 -","- Al13.432 Cr0.456 Mg10.112 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch1, annealed at T = 850 C, ordering, t = 0 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003955","8.0907","","8.0907","","8.0907","","90","","90","","90","","529.613","","","","","","","","","","annealed at T = 850 C, ordering, t = 0.25 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.68 Cr0.057 Mg1.263 O4 -","- Al1.68 Cr0.057 Mg1.263 O4 -","- Al13.44 Cr0.456 Mg10.104 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch1, annealed at T = 850 C, ordering, t = 0.25 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003956","8.0908","","8.0908","","8.0908","","90","","90","","90","","529.632","","","","","","","","","","annealed at T = 850 C, ordering, t = 0.50 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.688 Cr0.057 Mg1.255 O4 -","- Al1.688 Cr0.057 Mg1.255 O4 -","- Al13.504 Cr0.456 Mg10.04 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch1, annealed at T = 850 C, ordering, t = 0.50 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003957","8.0909","","8.0909","","8.0909","","90","","90","","90","","529.652","","","","","","","","","","annealed at T = 850 C, ordering, t = 1.50 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.691 Cr0.057 Mg1.252 O4 -","- Al1.691 Cr0.057 Mg1.252 O4 -","- Al13.528 Cr0.456 Mg10.016 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch1, annealed at T = 850 C, ordering, t = 1.50 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003958","8.0918","","8.0918","","8.0918","","90","","90","","90","","529.829","","","","","","","","","","annealed at T = 850 C, ordering, t = 15 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.701 Cr0.057 Mg1.242 O4 -","- Al1.701 Cr0.057 Mg1.242 O4 -","- Al13.608 Cr0.456 Mg9.936 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch1, annealed at T = 850 C, ordering, t = 15 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003959","8.0919","","8.0919","","8.0919","","90","","90","","90","","529.848","","","","","","","","","","annealed at T = 850 C, ordering, t = 30 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.704 Cr0.057 Mg1.239 O4 -","- Al1.704 Cr0.057 Mg1.239 O4 -","- Al13.632 Cr0.456 Mg9.912 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch1, annealed at T = 850 C, ordering, t = 30 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003960","8.0919","","8.0919","","8.0919","","90","","90","","90","","529.848","","","","","","","","","","annealed at T = 850 C, ordering, t = 60 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.705 Cr0.057 Mg1.338 O4 -","- Al1.705 Cr0.057 Mg1.338 O4 -","- Al13.64 Cr0.456 Mg10.704 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch1, annealed at T = 850 C, ordering, t = 60 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003961","8.0919","","8.0919","","8.0919","","90","","90","","90","","529.848","","","","","","","","","","annealed at T = 850 C, ordering, t = 1440 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.708 Cr0.057 Mg1.235 O4 -","- Al1.708 Cr0.057 Mg1.235 O4 -","- Al13.664 Cr0.456 Mg9.88 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch1, annealed at T = 850 C, ordering, t = 1440 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003962","8.118","","8.118","","8.118","","90","","90","","90","","534.992","","","","","","","","","","","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.643 Cr0.244 Mg1.113 O4 -","- Al1.643 Cr0.244 Mg1.113 O4 -","- Al13.144 Cr1.952 Mg8.904 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, untreated","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003963","8.1176","","8.1176","","8.1176","","90","","90","","90","","534.913","","","","","","","","","","annealed at T = 650 C, disordering, t = 60 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.641 Cr0.244 Mg1.115 O4 -","- Al1.641 Cr0.244 Mg1.115 O4 -","- Al13.128 Cr1.952 Mg8.92 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, disordering, t = 60 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003964","8.1175","","8.1175","","8.1175","","90","","90","","90","","534.893","","","","","","","","","","annealed at T = 650 C, disordering, t = 180 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.641 Cr0.244 Mg1.115 O4 -","- Al1.641 Cr0.244 Mg1.115 O4 -","- Al13.128 Cr1.952 Mg8.92 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, disordering, t = 180 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003965","8.1174","","8.1174","","8.1174","","90","","90","","90","","534.873","","","","","","","","","","annealed at T = 650 C, disordering, t = 420 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.629 Cr0.244 Mg1.127 O4 -","- Al1.629 Cr0.244 Mg1.127 O4 -","- Al13.032 Cr1.952 Mg9.016 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, disordering, t = 420 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003966","8.1175","","8.1175","","8.1175","","90","","90","","90","","534.893","","","","","","","","","","annealed at T = 650 C, disordering, t = 840 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.627 Cr0.244 Mg1.129 O4 -","- Al1.627 Cr0.244 Mg1.129 O4 -","- Al13.016 Cr1.952 Mg9.032 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, disordering, t = 840 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003967","8.1174","","8.1174","","8.1174","","90","","90","","90","","534.873","","","","","","","","","","annealed at T = 650 C, disordering, t = 2520 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.613 Cr0.244 Mg1.143 O4 -","- Al1.613 Cr0.244 Mg1.143 O4 -","- Al12.904 Cr1.952 Mg9.144 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, disordering, t = 2520 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003968","8.1174","","8.1174","","8.1174","","90","","90","","90","","534.873","","","","","","","","","","annealed at T = 650 C, disordering, t = 3960 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.607 Cr0.244 Mg1.149 O4 -","- Al1.607 Cr0.244 Mg1.149 O4 -","- Al12.856 Cr1.952 Mg9.192 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, disordering, t = 3960 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003969","8.1173","","8.1173","","8.1173","","90","","90","","90","","534.853","","","","","","","","","","annealed at T = 650 C, disordering, t = 7980 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.611 Cr0.244 Mg1.145 O4 -","- Al1.611 Cr0.244 Mg1.145 O4 -","- Al12.888 Cr1.952 Mg9.16 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, disordering, t = 7980 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003970","8.1171","","8.1171","","8.1171","","90","","90","","90","","534.814","","","","","","","","","","annealed at T = 650 C, disordering, t = 15840 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.607 Cr0.244 Mg1.149 O4 -","- Al1.607 Cr0.244 Mg1.149 O4 -","- Al12.856 Cr1.952 Mg9.192 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, disordering, t = 15840 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003971","8.1174","","8.1174","","8.1174","","90","","90","","90","","534.873","","","","","","","","","","annealed at T = 650 C, disordering, t = 33120 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.606 Cr0.244 Mg1.15 O4 -","- Al1.606 Cr0.244 Mg1.15 O4 -","- Al12.848 Cr1.952 Mg9.2 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, disordering, t = 33120 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003972","8.1163","","8.1163","","8.1163","","90","","90","","90","","534.656","","","","","","","","","","annealed at T = 650 C, ordering, t = 0 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.544 Cr0.244 Mg1.212 O4 -","- Al1.544 Cr0.244 Mg1.212 O4 -","- Al12.352 Cr1.952 Mg9.696 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, ordering, t = 0 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003973","8.1162","","8.1162","","8.1162","","90","","90","","90","","534.636","","","","","","","","","","annealed at T = 650 C, ordering, t = 12 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.553 Cr0.244 Mg1.203 O4 -","- Al1.553 Cr0.244 Mg1.203 O4 -","- Al12.424 Cr1.952 Mg9.624 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, ordering, t = 12 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003974","8.1166","","8.1166","","8.1166","","90","","90","","90","","534.715","","","","","","","","","","annealed at T = 650 C, ordering, t = 36 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.586 Cr0.244 Mg1.19 O4 -","- Al1.586 Cr0.244 Mg1.19 O4 -","- Al12.688 Cr1.952 Mg9.52 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, ordering, t = 36 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003975","8.1174","","8.1174","","8.1174","","90","","90","","90","","534.873","","","","","","","","","","annealed at T = 650 C, ordering, t = 120 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.599 Cr0.244 Mg1.157 O4 -","- Al1.599 Cr0.244 Mg1.157 O4 -","- Al12.792 Cr1.952 Mg9.256 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, ordering, t = 120 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003976","8.1178","","8.1178","","8.1178","","90","","90","","90","","534.952","","","","","","","","","","annealed at T = 650 C, ordering, t = 240 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Cr0.244 Mg1.147 O4 -","- Al1.609 Cr0.244 Mg1.147 O4 -","- Al12.872 Cr1.952 Mg9.176 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, ordering, t = 240 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003977","8.1177","","8.1177","","8.1177","","90","","90","","90","","534.933","","","","","","","","","","annealed at T = 650 C, ordering, t = 480 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.614 Cr0.244 Mg1.142 O4 -","- Al1.614 Cr0.244 Mg1.142 O4 -","- Al12.912 Cr1.952 Mg9.136 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, ordering, t = 480 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003978","8.1176","","8.1176","","8.1176","","90","","90","","90","","534.913","","","","","","","","","","annealed at T = 650 C, ordering, t = 6660 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.614 Cr0.244 Mg1.142 O4 -","- Al1.614 Cr0.244 Mg1.142 O4 -","- Al12.912 Cr1.952 Mg9.136 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, ordering, t = 6660 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003979","8.1176","","8.1176","","8.1176","","90","","90","","90","","534.913","","","","","","","","","","annealed at T = 650 C, ordering, t = 26820 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.612 Cr0.244 Mg1.144 O4 -","- Al1.612 Cr0.244 Mg1.144 O4 -","- Al12.896 Cr1.952 Mg9.152 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 650 C, ordering, t = 26820 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003980","8.1166","","8.1166","","8.1166","","90","","90","","90","","534.715","","","","","","","","","","annealed at T = 850 C, ordering, t = 0 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.541 Cr0.244 Mg1.215 O4 -","- Al1.541 Cr0.244 Mg1.215 O4 -","- Al12.328 Cr1.952 Mg9.72 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 850 C, ordering, t = 0 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003981","8.1166","","8.1166","","8.1166","","90","","90","","90","","534.715","","","","","","","","","","annealed at T = 850 C, ordering, t = 0.25 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.541 Cr0.244 Mg1.215 O4 -","- Al1.541 Cr0.244 Mg1.215 O4 -","- Al12.328 Cr1.952 Mg9.72 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 850 C, ordering, t = 0.25 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003982","8.116","","8.116","","8.116","","90","","90","","90","","534.597","","","","","","","","","","annealed at T = 850 C, ordering, t = 0.50 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.545 Cr0.244 Mg1.211 O4 -","- Al1.545 Cr0.244 Mg1.211 O4 -","- Al12.36 Cr1.952 Mg9.688 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 850 C, ordering, t = 0.50 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003983","8.116","","8.116","","8.116","","90","","90","","90","","534.597","","","","","","","","","","annealed at T = 850 C, ordering, t = 1.5 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.57 Cr0.244 Mg1.186 O4 -","- Al1.57 Cr0.244 Mg1.186 O4 -","- Al12.56 Cr1.952 Mg9.488 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 850 C, ordering, t = 1.5 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003984","8.116","","8.116","","8.116","","90","","90","","90","","534.597","","","","","","","","","","annealed at T = 850 C, ordering, t = 1440 m","","Olkhon metamorphic complex, Lake Baikal, Russia","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.579 Cr0.244 Mg1.177 O4 -","- Al1.579 Cr0.244 Mg1.177 O4 -","- Al12.632 Cr1.952 Mg9.416 O32 -","8","0.0416667","","Princivalle, F.; Martignago, F.; Dal Negro, A.","Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Sc, annealed at T = 850 C, ordering, t = 1440 m","American Mineralogist","2006","91","","313","318","10.2138/am.2006.1894","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003985","7.48388","","7.6726","","5.76807","","90","","90","","90","","331.207","","","","","","","","100","","","","Okkamitiya Sabaragamuiwa province, Sri Lanka","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = .0001 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003986","7.4604","","7.6395","","5.7584","","90","","90","","90","","328.193","","","","","","","","1548000","","","","Okkamitiya Sabaragamuiwa province, Sri Lanka","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 1.548 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003987","7.42183","","7.5868","","5.74298","","90","","90","","90","","323.375","","","","","","","","4144000","","","","Okkamitiya Sabaragamuiwa province, Sri Lanka","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 4.144 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003988","7.39939","","7.5576","","5.73421","","90","","90","","90","","320.666","","","","","","","","5750000","","","","Okkamitiya Sabaragamuiwa province, Sri Lanka","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 5.750 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003989","7.3717","","7.5243","","5.72421","","90","","90","","90","","317.504","","","","","","","","7663000","","","","Okkamitiya Sabaragamuiwa province, Sri Lanka","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 7.663 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003990","7.793","","7.89734","","5.55583","","90","","90","","90","","341.928","","","","","","","","100","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = .0001 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003991","7.7568","","7.87268","","5.54488","","90","","90","","90","","338.608","","","","","","","","1474000","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 1.474 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003992","7.732","","7.85659","","5.53642","","90","","90","","90","","336.322","","","","","","","","2512000","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 2.512 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003993","7.7186","","7.8467","","5.5329","","90","","90","","90","","335.103","","","","","","","","3129000","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 3.129 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003994","7.7014","","7.8354","","5.52629","","90","","90","","90","","333.476","","","","","","","","3932000","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 3.932 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003995","7.6704","","7.81452","","5.51589","","90","","90","","90","","330.625","","","","","","","","5441000","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 5.441 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003996","7.6313","","7.78625","","5.50175","","90","","90","","90","","326.91","","","","","","","","7565000","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 7.565 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003997","7.5922","","7.76","","5.4872","","90","","90","","90","","323.281","","","","","","","","9828000","","","","Minas Gerais, Brazil","3","P n n m","-P 2 2n","58","","","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Burt, J. B.; Ross, N. L.; Angel, R. J.; Koch, M.","Equations of state and structures of andalusite to 9.8 GPa and sillimanite to 8.5 GPa Sample: P = 9.828 GPa","American Mineralogist","2006","91","","319","326","10.2138/am.2006.1875","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003998","7.0494","","17.55","","12.734","","90","","90","","90","","1575.41","","","","","","","","","","","","","6","C m c e","-C 2ac 2","64","","","Oursinite","- Co0.8 H14 Mg0.2 O18 Si2 U2 -","- Co0.8 H14 Mg0.2 O18 Si2 U2 -","- Co3.2 H56 Mg0.8 O72 Si8 U8 -","4","0.25","","Kabatko, K. A.; Burns, P. C.","A novel arrangement of silicate tetrahedra in the uranyl silicate sheet of oursinite, (Co0.8Mg0.2)[(UO2)(SiO3OH)]2(H2O)6","American Mineralogist","2006","91","","333","336","10.2138/am.2006.1613","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:17",""
"9003999","81.664","","9.255","","7.261","","90","","91.409","","90","","5486.21","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Antigorite","- H58 Mg45 O138 Si32 -","- H58 Mg45 O138 Si32 -","- H116 Mg90 O276 Si64 -","2","0.25","","Capitani, G. C.; Mellini, M.","The crystal structure of a second antigorite polysome (m = 16), by single-crystal synchrotron diffraction","American Mineralogist","2006","91","","394","399","10.2138/am.2006.1919","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004000","6.025","","6.025","","6.025","","90","","90","","90","","218.711","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","Melliniite","- Fe1.68 Ni2.32 P -","- Fe1.68 Ni2.32 P -","- Fe6.72 Ni9.28 P4 -","4","0.333333","","Pratesi, G.; Bindi, L.; Moggi-Cecchi V","Icosahedral coordination of phosphorus in the crystal structure of melliniite, a new phosphide mineral from the Northwest Africa 1054 acapulcoite","American Mineralogist","2006","91","","451","454","10.2138/am.2006.2095","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004001","2.4687","","8.1165","","6.1514","","90","","90","","90","","123.257","","","","300","","","","116000000","","","","synthetic sample","3","C m c m","-C 2c 2","63","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.25","","Ono, S.; Kikegawa, T.; Ohishi, Y.","Equation of state of CaIrO3-type MgSiO3 up to 144 GPa Sample: P = 116 GPa, T = 300 K","American Mineralogist","2006","91","","475","478","10.2138/am.2006.2118","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004002","9.826","","18.0487","","5.284","","90","","104.55","","90","","907.045","","","","","","","","","","","","Grenville marble, Arnold open pit, St Lawrence Co, New York, USA","11","C 1 2/m 1","-C 2y","12","","","Parvo-mangano-edenite","- Al0.985 Ca1.27 Fe0.07 H2 K0.02 Mg4.51 Mn1.005 Na0.74 O24 Si7.08 Ti0.01 -","- Al0.985 Ca1.27 Fe0.07 H2 K0.02 Mg4.51 Mn1.005 Na0.74 O24 Si7.08 Ti0.01 -","- Al1.97 Ca2.54 Fe0.14 H4 K0.04 Mg9.02 Mn2.01 Na1.48 O48 Si14.16 Ti0.02 -","2","0.25","","Oberti, R.; Camara, F.; Della Ventura, G.; Iezzi, G.; Benimoff, A. I.","Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution between Ca and Mn2+ at the M4 site in amphiboles Sample: 1103 Note: A and B occupancies invented to match formula","American Mineralogist","2006","91","","526","532","10.2138/am.2006.1905","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004003","9.7807","","18.0548","","5.2928","","90","","104.19","","90","","906.13","","","","","","","","","","","","amphibole, Grenville marble, Arnold open pit, St Lawrence Co, New York, USA","10","C 1 2/m 1","-C 2y","12","","","Parvo-manganotremolite","- Al0.51 Ca1.13 Fe0.04 H2 K0.01 Mg4.21 Mn1.04 Na0.48 O24 Si7.52 -","- Al0.51 Ca1.13 Fe0.04 H2 K0.01 Mg4.21 Mn1.04 Na0.48 O24 Si7.52 -","- Al1.02 Ca2.26 Fe0.08 H4 K0.02 Mg8.42 Mn2.08 Na0.96 O48 Si15.04 -","2","0.25","","Oberti, R.; Camara, F.; Della Ventura, G.; Iezzi, G.; Benimoff, A. I.","Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution between Ca and Mn2+ at the M4 site in amphiboles Locality: amphibole, Grenville marble, Arnold open pit, St Lawrence Co, New York, USA Sample: 1104 Note: A and B occupancies invented to match formula","American Mineralogist","2006","91","","526","532","10.2138/am.2006.1905","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004004","9.795","","18.047","","5.2869","","90","","104.28","","90","","905.691","","","","","","","","","","","","Grenville marble, Arnold open pit, St Lawrence Co, New York, USA","11","C 1 2/m 1","-C 2y","12","","","Parvo-mangano-edenite","- Al0.76 Ca Fe0.04 H2 K0.02 Mg4.56 Mn1.27 Na0.64 O24 Si7.36 Ti0.01 -","- Al0.76 Ca Fe0.04 H2 K0.02 Mg4.56 Mn1.27 Na0.64 O24 Si7.36 Ti0.01 -","- Al1.52 Ca2 Fe0.08 H4 K0.04 Mg9.12 Mn2.54 Na1.28 O48 Si14.72 Ti0.02 -","2","0.25","","Oberti, R.; Camara, F.; Della Ventura, G.; Iezzi, G.; Benimoff, A. I.","Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution between Ca and Mn2+ at the M4 site in amphiboles Sample: 1079 Note: A and B occupancies invented to match formula","American Mineralogist","2006","91","","526","532","10.2138/am.2006.1905","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004005","4.7781","","4.9305","","6.899","","90","","90","","90","","162.53","","","","","","","","100","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Bridgmanite","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Sugahara, M.; Yoshiasa, A.; Komatsu, Y.; Yamanaka, T.; Bolfan-Casanova N; Nakastuka, A.; Sasaki, S.; Tanaka, M.","Reinvestigation of the MgSiO3 perovskite structure at high pressure Sample: P = .0001 GPa","American Mineralogist","2006","91","","533","536","10.2138/am.2006.1980","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004006","4.722","","4.88","","6.825","","90","","90","","90","","157.271","","","","","","","","7800000","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Bridgmanite","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Sugahara, M.; Yoshiasa, A.; Komatsu, Y.; Yamanaka, T.; Bolfan-Casanova N; Nakastuka, A.; Sasaki, S.; Tanaka, M.","Reinvestigation of the MgSiO3 perovskite structure at high pressure Sample: P = 7.8 GPa","American Mineralogist","2006","91","","533","536","10.2138/am.2006.1980","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004007","4.7148","","4.8741","","6.8051","","90","","90","","90","","156.384","","","","","","","","10000000","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Bridgmanite","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Sugahara, M.; Yoshiasa, A.; Komatsu, Y.; Yamanaka, T.; Bolfan-Casanova N; Nakastuka, A.; Sasaki, S.; Tanaka, M.","Reinvestigation of the MgSiO3 perovskite structure at high pressure Sample: P = 10.0 GPa","American Mineralogist","2006","91","","533","536","10.2138/am.2006.1980","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004008","4.701","","4.87","","6.782","","90","","90","","90","","155.266","","","","","","","","15000000","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Bridgmanite","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Sugahara, M.; Yoshiasa, A.; Komatsu, Y.; Yamanaka, T.; Bolfan-Casanova N; Nakastuka, A.; Sasaki, S.; Tanaka, M.","Reinvestigation of the MgSiO3 perovskite structure at high pressure Sample: P = 15.0 GPa","American Mineralogist","2006","91","","533","536","10.2138/am.2006.1980","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004009","13.7065","","13.7065","","13.7065","","90","","90","","90","","2575.01","","","","","","","","100","","","P = 0.0001 GPa in air","Su Marralzu, Sardinia, Italy","5","I a -3 d","-I 4bd 2c 3","230","","","Analcime","- Al1.806 H1.8 Na1.71 O14 Si4.194 -","- Al1.806 H4 Na1.71 O14 Si4.194 -","- Al14.448 H32 Na13.68 O112 Si33.552 -","8","0.0833333","","Gatta, G. D.; Nestola, F.; Ballaran, T. B.","Elastic behavior, phase transition, and pressure induced structural evolution of analcime Sample: P = .0001 GPa in air","American Mineralogist","2006","91","","568","578","10.2138/am.2006.1994","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9004010","13.6999","","13.6999","","13.6999","","90","","90","","90","","2571.3","","","","","","","","100","","","","Su Marralzu, Sardinia, Italy","5","I a -3 d","-I 4bd 2c 3","230","","","Analcime","- Al1.806 H1.8 Na1.71 O14 Si4.194 -","- Al1.806 H4 Na1.71 O14 Si4.194 -","- Al14.448 H32 Na13.68 O112 Si33.552 -","8","0.0833333","","Gatta, G. D.; Nestola, F.; Ballaran, T. B.","Elastic behavior, phase transition, and pressure induced structural evolution of analcime Sample: P = .0001 GPa in DAC","American Mineralogist","2006","91","","568","578","10.2138/am.2006.1994","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9004011","13.6288","","13.6288","","13.6288","","90","","90","","90","","2531.47","","","","","","","","910000","","","","Su Marralzu, Sardinia, Italy","5","I a -3 d","-I 4bd 2c 3","230","","","Analcime","- Al1.806 H1.8 Na1.71 O14 Si4.194 -","- Al1.806 H4 Na1.71 O14 Si4.194 -","- Al14.448 H32 Na13.68 O112 Si33.552 -","8","0.0833333","","Gatta, G. D.; Nestola, F.; Ballaran, T. B.","Elastic behavior, phase transition, and pressure induced structural evolution of analcime Sample: P = .91 GPa","American Mineralogist","2006","91","","568","578","10.2138/am.2006.1994","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9004012","13.5574","","13.5119","","13.5082","","89.6","","89.162","","90.798","","2473.95","","","","","","","","1230000","","","","Su Marralzu, Sardinia, Italy","5","P -1","-P 1","2","","","Analcime","- Al1.806 H4 Na1.71 O14 Si4.194 -","- Al1.806 H4 Na1.71 O14 Si4.194 -","- Al14.448 H32 Na13.68 O112 Si33.552 -","8","4","","Gatta, G. D.; Nestola, F.; Ballaran, T. B.","Elastic behavior, phase transition, and pressure induced structural evolution of analcime Sample: P = 1.23 GPa","American Mineralogist","2006","91","","568","578","10.2138/am.2006.1994","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""
"9004013","13.4464","","13.3657","","13.3449","","89.691","","88.152","","90.034","","2397.07","","","","","","","","2120000","","","","Su Marralzu, Sardinia, Italy","5","P -1","-P 1","2","","","Analcime","- Al1.806 H4 Na1.71 O14 Si4.194 -","- Al1.806 H4 Na1.71 O14 Si4.194 -","- Al14.448 H32 Na13.68 O112 Si33.552 -","8","4","","Gatta, G. D.; Nestola, F.; Ballaran, T. B.","Elastic behavior, phase transition, and pressure induced structural evolution of analcime Sample: P = 2.12 GPa","American Mineralogist","2006","91","","568","578","10.2138/am.2006.1994","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""
"9004014","13.1605","","13.0149","","13.0335","","90.178","","86.849","","88.601","","2228.35","","","","","","","","5040000","","","","Su Marralzu, Sardinia, Italy","5","P -1","-P 1","2","","","Analcime","- Al1.806 H4 Na1.71 O14 Si4.194 -","- Al1.806 H4 Na1.71 O14 Si4.194 -","- Al14.448 H32 Na13.68 O112 Si33.552 -","8","4","","Gatta, G. D.; Nestola, F.; Ballaran, T. B.","Elastic behavior, phase transition, and pressure induced structural evolution of analcime Sample: P = 5.04 GPa","American Mineralogist","2006","91","","568","578","10.2138/am.2006.1994","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""
"9004015","19.2889","","6.0444","","8.8783","","90","","97.328","","90","","1026.67","","","","","","","","","","","","Gambatesa mine, val Graveglia, Genova, Northern Italy","12","C 1 2/m 1","-C 2y","12","","","Poppiite","- Al0.43 Ca1.92 Cu0.01 Fe0.26 H4 Mg0.2 Mn0.15 Na0.08 O14 Si2.91 Ti0.02 V2.04 -","- Al0.43 Ca1.92 Cu0.01 Fe0.26 H4 Mg0.2 Mn0.15 Na0.08 O14 Si2.91 Ti0.02 V2.04 -","- Al1.72 Ca7.68 Cu0.04 Fe1.04 H16 Mg0.8 Mn0.6 Na0.32 O56 Si11.64 Ti0.08 V8.16 -","4","0.5","","Brigatti, M. F.; Caprilli, E.; Marchesini, M.","Poppiite, the V3+ end-member of the pumpellyite group: Description and crystal structure Locality: Gambatesa mine, val Graveglia, Genova, Northern Italy","American Mineralogist","2006","91","","584","588","10.2138/am.2006.2033","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004016","13.5947","","18.1823","","17.8335","","90","","90","","90","","4408.14","","","","302","","","","","","","","Seremida, Sardinia, Italy","7","F m m m","-F 2 2","69","","","Stellerite","- Al1.98 Ca0.78 H36 K0.01 Na0.1 O25.24 Si7.92 -","- Al1.98 Ca0.78 H14.48 K0.01 Na0.1 O25.24 Si7.92 -","- Al15.84 Ca6.24 H115.84 K0.08 Na0.8 O201.92 Si63.36 -","8","0.25","","Arletti, R.; Mazzucato, E.; Vezzalini, G.","Influence of dehydration kinetics on T-O-T bridge breaking in zeolites with framework type STI: The case of stellerite Sample: T = 302 K Note: occupancies invented to match formula","American Mineralogist","2006","91","","628","634","10.2138/am.2006.1966","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9004017","13.6629","","17.6064","","17.3629","","90","","90","","90","","4176.72","","","","503","","","","","","","","Seremida, Sardinia, Italy","6","A m m a","-A 2a 2a","63","","","Stellerite","- Al3.96 Ca1.46 H6.796 Na0.19 O37.97 Si15.84 -","- Al3.96 Ca1.46 H3.94 Na0.19 O37.97 Si15.84 -","- Al15.84 Ca5.84 H15.76 Na0.76 O151.88 Si63.36 -","4","0.25","","Arletti, R.; Mazzucato, E.; Vezzalini, G.","Influence of dehydration kinetics on T-O-T bridge breaking in zeolites with framework type STI: The case of stellerite Sample: T = 503 K Note: occupancies invented to match formula","American Mineralogist","2006","91","","628","634","10.2138/am.2006.1966","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9004018","13.5426","","17.557","","17.102","","90","","90","","90","","4066.3","","","","740","","","","","","","","Seremida, Sardinia, Italy","6","A m m a","-A 2a 2a","63","","","Stellerite","- Al3.56 Ca1.14 H0.88 Na0.14 O38.13 Si15.84 -","- Al3.56 Ca1.14 H1.22 Na0.14 O38.13 Si15.84 -","- Al14.24 Ca4.56 H4.88 Na0.56 O152.52 Si63.36 -","4","0.25","","Arletti, R.; Mazzucato, E.; Vezzalini, G.","Influence of dehydration kinetics on T-O-T bridge breaking in zeolites with framework type STI: The case of stellerite Sample: T = 740 K Note: occupancies invented to match formula","American Mineralogist","2006","91","","628","634","10.2138/am.2006.1966","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9004019","15.8995","","15.8995","","7.1577","","90","","90","","120","","1567.01","","","","","","","","","","","","","9","R 3 m :H","R 3 -2""","160","","","","- Ag0.18 Al6.981 B3 F0.47 H6.53 Mg2.121 Na0.58 O30.53 Si5.898 -","- Ag0.18 Al6.981 B3 F0.47 H6 Mg2.121 Na0.58 O30.53 Si5.898 -","- Ag0.54 Al20.943 B9 F1.41 H18 Mg6.363 Na1.74 O91.59 Si17.694 -","3","0.166667","","London, D.; Ertl, A.; Hughes, J. M.; Morgan VI G B; Fritz, E. A.; Harms, B. S.","Synthetic Ag-rich tourmaline: Structure and chemistry Note: Y(B) adjusted to satisfy symmetry constraint","American Mineralogist","2006","91","","680","684","10.2138/am.2006.1959","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004020","10.42","","10.42","","10.42","","90","","90","","90","","1131.37","","","","","","","","","","","","Narssarssk, Julianehaab district, Greenland","18","F d -3 m :2","-F 4vw 2vw 3","227","","","Pyrochlore","- Ca0.73 Ce0.03 F0.62 Fe0.03 H1.352 K0.02 La0.01 Mn0.04 Na0.37 Nb1.72 Nd0.01 O6.38 Pb0.01 Si0.07 Sr0.07 Ta0.02 Ti0.16 U0.02 -","- Ca0.73 Ce0.03 F0.62 Fe0.03 K0.02 La0.01 Mn0.04 Na0.37 Nb1.72 Nd0.01 O6.38 Pb0.01 Si0.07 Sr0.07 Ta0.02 Ti0.16 U0.02 -","- Ca5.84 Ce0.24 F4.96 Fe0.24 K0.16 La0.08 Mn0.32 Na2.96 Nb13.76 Nd0.08 O51.04 Pb0.08 Si0.56 Sr0.56 Ta0.16 Ti1.28 U0.16 -","8","0.0416667","","Bonazzi, P.; Bindi, L.; Zoppi, M.; Capitani, G. C.; Olmi, F.","Single-crystal diffraction and transmission electron microscopy studies of ""silicified"" pyrochlore from Narssarssk, Julianehaab district, Greenland Sample: 396a","American Mineralogist","2006","91","","794","801","10.2138/am.2006.1777","","","","","","","","","","","","","","","","","","","","","has coordinates","294030","2024-08-07","12:35:44",""
"9004021","10.3738","","10.3738","","10.3738","","90","","90","","90","","1116.38","","","","","","","","","","","","Narssarssk, Julianehaab district, Greenland","18","F d -3 m :2","-F 4vw 2vw 3","227","","","Pyrochlore","- Ca0.72 Ce0.04 F0.46 Fe0.08 H1.908 K0.05 La0.01 Mn0.04 Na0.18 Nb1.48 Nd0.01 O6.54 Pb0.01 Si0.24 Sr0.08 Ta0.04 Ti0.16 U0.02 -","- Ca0.72 Ce0.04 F0.46 Fe0.08 K0.05 La0.01 Mn0.04 Na0.18 Nb1.48 Nd0.01 O6.54 Pb0.01 Si0.24 Sr0.08 Ta0.04 Ti0.16 U0.02 -","- Ca5.76 Ce0.32 F3.68 Fe0.64 K0.4 La0.08 Mn0.32 Na1.44 Nb11.84 Nd0.08 O52.32 Pb0.08 Si1.92 Sr0.64 Ta0.32 Ti1.28 U0.16 -","8","0.0416667","","Bonazzi, P.; Bindi, L.; Zoppi, M.; Capitani, G. C.; Olmi, F.","Single-crystal diffraction and transmission electron microscopy studies of ""silicified"" pyrochlore from Narssarssk, Julianehaab district, Greenland Sample: 170a","American Mineralogist","2006","91","","794","801","10.2138/am.2006.1777","","","","","","","","","","","","","","","","","","","","","has coordinates","294030","2024-08-07","12:35:44",""
"9004022","9.6912","","8.8986","","5.2531","","90","","105.99","","90","","435.49","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.19 Ca0.88 K0.12 Mg0.83 O6 Si1.98 -","- Al0.19 Ca0.88 K0.12 Mg0.83 O6 Si1.98 -","- Al0.76 Ca3.52 K0.48 Mg3.32 O24 Si7.92 -","4","0.5","","Bindi, L.; Downs, R. T.; Harlow, G. E.; Safonov, O. G.; Litvin, Y. A.; Perchuk, L. L.; Uchida, H.; Menchetti, S.","Compressibility of synthetic potassium-rich clinopyroxene: In situ high-pressure single-crystal X-ray study Sample: 939-1, in air","American Mineralogist","2006","91","","802","808","10.2138/am.2006.2031","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004023","9.6912","","8.8986","","5.2531","","90","","105.99","","90","","435.49","","","","","","","","0","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.19 Ca0.88 K0.12 Mg0.83 O6 Si1.98 -","- Al0.19 Ca0.88 K0.12 Mg0.83 O6 Si1.98 -","- Al0.76 Ca3.52 K0.48 Mg3.32 O24 Si7.92 -","4","0.5","","Bindi L; Downs R T; Harlow G E; Safonov O G; Litvin Y A; Perchuk L L; Uchida H; Menchetti S","Compressibility of synthetic potassium-rich clinopyroxene: In situ high-pressure single-crystal X-ray study Sample: 939-1, in air","American Mineralogist","2006","91","","802","808","10.2138/am.2006.2031","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004024","9.6828","","8.888","","5.2482","","90","","105.951","","90","","434.274","","","","","","","","460000","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.19 Ca0.88 K0.12 Mg0.83 O6 Si1.98 -","- Al0.19 Ca0.88 K0.12 Mg0.83 O6 Si1.98 -","- Al0.76 Ca3.52 K0.48 Mg3.32 O24 Si7.92 -","4","0.5","","Bindi, L.; Downs, R. T.; Harlow, G. E.; Safonov, O. G.; Litvin, Y. A.; Perchuk, L. L.; Uchida, H.; Menchetti, S.","Compressibility of synthetic potassium-rich clinopyroxene: In situ high-pressure single-crystal X-ray study Sample: 939-1, P = .46 GPa","American Mineralogist","2006","91","","802","808","10.2138/am.2006.2031","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004025","9.6313","","8.8327","","5.2212","","90","","105.746","","90","","427.502","","","","","","","","2450000","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.19 Ca0.88 K0.12 Mg0.83 O6 Si1.98 -","- Al0.19 Ca0.88 K0.12 Mg0.83 O6 Si1.98 -","- Al0.76 Ca3.52 K0.48 Mg3.32 O24 Si7.92 -","4","0.5","","Bindi, L.; Downs, R. T.; Harlow, G. E.; Safonov, O. G.; Litvin, Y. A.; Perchuk, L. L.; Uchida, H.; Menchetti, S.","Compressibility of synthetic potassium-rich clinopyroxene: In situ high-pressure single-crystal X-ray study Sample: 939-1, P = 2.45 GPa","American Mineralogist","2006","91","","802","808","10.2138/am.2006.2031","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004026","9.5674","","8.7596","","5.1863","","90","","105.52","","90","","418.798","","","","","","","","5360000","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.19 Ca0.88 K0.12 Mg0.83 O6 Si1.98 -","- Al0.19 Ca0.88 K0.12 Mg0.83 O6 Si1.98 -","- Al0.76 Ca3.52 K0.48 Mg3.32 O24 Si7.92 -","4","0.5","","Bindi, L.; Downs, R. T.; Harlow, G. E.; Safonov, O. G.; Litvin, Y. A.; Perchuk, L. L.; Uchida, H.; Menchetti, S.","Compressibility of synthetic potassium-rich clinopyroxene: In situ high-pressure single-crystal X-ray study Sample: 939-1, P = 5.36 GPa","American Mineralogist","2006","91","","802","808","10.2138/am.2006.2031","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004027","9.5089","","8.6937","","5.1545","","90","","105.344","","90","","410.921","","","","","","","","8110000","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.19 Ca0.88 K0.12 Mg0.83 O6 Si1.98 -","- Al0.19 Ca0.88 K0.12 Mg0.83 O6 Si1.98 -","- Al0.76 Ca3.52 K0.48 Mg3.32 O24 Si7.92 -","4","0.5","","Bindi, L.; Downs, R. T.; Harlow, G. E.; Safonov, O. G.; Litvin, Y. A.; Perchuk, L. L.; Uchida, H.; Menchetti, S.","Compressibility of synthetic potassium-rich clinopyroxene: In situ high-pressure single-crystal X-ray study Sample: 939-1, P = 8.11 GPa","American Mineralogist","2006","91","","802","808","10.2138/am.2006.2031","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004028","9.4762","","8.6541","","5.1356","","90","","105.269","","90","","406.293","","","","","","","","9720000","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.19 Ca0.88 K0.12 Mg0.83 O6 Si1.98 -","- Al0.19 Ca0.88 K0.12 Mg0.83 O6 Si1.98 -","- Al0.76 Ca3.52 K0.48 Mg3.32 O24 Si7.92 -","4","0.5","","Bindi, L.; Downs, R. T.; Harlow, G. E.; Safonov, O. G.; Litvin, Y. A.; Perchuk, L. L.; Uchida, H.; Menchetti, S.","Compressibility of synthetic potassium-rich clinopyroxene: In situ high-pressure single-crystal X-ray study Sample: 939-1, P = 9.72 GPa","American Mineralogist","2006","91","","802","808","10.2138/am.2006.2031","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004029","18.2588","","8.8229","","5.1899","","90","","90","","90","","836.07","","","","","","","","100","","","","synthetic sample","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.56 Mg15.44 O48 Si16 -","8","1","","Nestola, F.; Gatta, G. D.; Ballaran, T. B.","The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 0.0001 GPa","American Mineralogist","2006","91","","809","815","10.2138/am.2006.1982","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004030","18.201","","8.768","","5.154","","90","","90","","90","","822.508","","","","","","","","1760000","","","","synthetic sample","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.56 Mg15.44 O48 Si16 -","8","1","","Nestola, F.; Gatta, G. D.; Ballaran, T. B.","The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 1.76 GPa","American Mineralogist","2006","91","","809","815","10.2138/am.2006.1982","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004031","18.093","","8.75","","5.127","","90","","90","","90","","811.675","","","","","","","","3360000","","","","synthetic sample","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.56 Mg15.44 O48 Si16 -","8","1","","Nestola, F.; Gatta, G. D.; Ballaran, T. B.","The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 3.36 GPa","American Mineralogist","2006","91","","809","815","10.2138/am.2006.1982","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004032","18.108","","8.7215","","5.12","","90","","90","","90","","808.596","","","","","","","","3940000","","","","synthetic sample","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.56 Mg15.44 O48 Si16 -","8","1","","Nestola, F.; Gatta, G. D.; Ballaran, T. B.","The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 3.94 GPa","American Mineralogist","2006","91","","809","815","10.2138/am.2006.1982","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004033","18.022","","8.6578","","5.085","","90","","90","","90","","793.417","","","","","","","","6250000","","","","synthetic sample","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.56 Mg15.44 O48 Si16 -","8","1","","Nestola, F.; Gatta, G. D.; Ballaran, T. B.","The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 6.25 GPa","American Mineralogist","2006","91","","809","815","10.2138/am.2006.1982","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004034","5.965","","5.965","","11.757","","90","","90","","120","","362.283","","","","","","","","","","","","","2","P -6 2 c","P -6c -2c","190","","","Troilite","- Fe S -","- Fe S -","- Fe12 S12 -","12","1","","Skala, R.; Cisarova, I.; Drabek, M.","Inversion twinning in troilite Sample: Etter","American Mineralogist","2006","91","","917","921","10.2138/am.2006.1999","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004035","5.965","","5.965","","11.759","","90","","90","","120","","362.345","","","","","","","","","","","","","2","P -6 2 c","P -6c -2c","190","","","Troilite","- Fe S -","- Fe S -","- Fe12 S12 -","12","1","","Skala, R.; Cisarova, I.; Drabek, M.","Inversion twinning in troilite Sample: Georgetown","American Mineralogist","2006","91","","917","921","10.2138/am.2006.1999","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004036","5.966","","5.966","","11.765","","90","","90","","120","","362.651","","","","","","","","","","","","","2","P -6 2 c","P -6c -2c","190","","","Troilite","- Fe S -","- Fe S -","- Fe12 S12 -","12","1","","Skala, R.; Cisarova, I.; Drabek, M.","Inversion twinning in troilite Sample: Synthetic","American Mineralogist","2006","91","","917","921","10.2138/am.2006.1999","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004037","7.1918","","23.166","","6.9472","","90","","90","","90","","1157.44","","","","","","","","","","","","Chivruai River valley, Kola peninsula, Russia","10","C m m m","-C 2 2","65","","","Chivruaiite","- Ba0.025 Ca0.775 H14.986 K0.05 Mn0.1 Nb0.22 O12.73 Si3 Sr0.05 Ti1.03 -","- Ba0.025 Ca0.775 H6.34 K0.05 Mn0.1 Nb0.22 O12.73 Si3 Sr0.05 Ti1.03 -","- Ba0.1 Ca3.1 H25.36 K0.2 Mn0.4 Nb0.88 O50.92 Si12 Sr0.2 Ti4.12 -","4","0.25","","Men'shikov, Y. P.; Krivovichev, S. V.; Pakhomovsky, Y. A.; Yakovenchuk, V. N.; Ivanyuk G Yu; Mikhailova, J. A.; Armbruster, T.; Selivanova, E. A.","Chivruaiite, Ca4(Ti,Nb)5[(Si6O17)2|(OH,O)5]·13-14H2O, a new mineral from hydrothermal veins of Khibiny and Lovozero alkaline massifs","American Mineralogist","2006","91","","922","928","10.2138/am.2006.2032","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:17",""
"9004038","9.831","","10.107","","13.855","","86.222","","73.383","","71.987","","1254.13","","","","","","","","","","","","","7","P -1","-P 1","2","","","Scheuchzerite","- H4 Mg0.63 Mn8.57 Na0.8 O32 Si9 V -","- H4 Mg0.63 Mn8.57 Na0.8 O32 Si9 V -","- H8 Mg1.26 Mn17.14 Na1.6 O64 Si18 V2 -","2","1","","Brugger, J.; Krivovichev, S.; Meisser, N.; Ansermet, S.; Armbruster, T.","Scheuchzerite, Na(Mn,Mg)9[VSi9O28(OH)](OH)3, a new single-chain silicate Sample: Fianel, Val Ferrera, Central Alps, Switzerland","American Mineralogist","2006","91","","937","943","10.2138/am.2006.1965","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004039","6.905","","7.108","","13.321","","90","","105.02","","90","","631.468","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Ba H2 Np O7 P -","- Ba H2 Np O7 P -","- Ba4 H8 Np4 O28 P4 -","4","1","","Forbes, T. Z.; Burns, P. C.","Ba(NpO2)(PO4)(H2O), its relationship to the uranophane group, and implications for Np incorporation in uranyl minerals","American Mineralogist","2006","91","","1089","1093","10.2138/am.2006.2132","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004040","12.59","","12.59","","5.117","","90","","90","","120","","702.421","","","","","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O15.28 Si3 -","- C0.76 H2 Al3 Ca0.75 Na3.01 O15.28 Si3 -","- C1.52 H4 Al6 Ca1.5 Na6.02 O30.56 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: SC20","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004041","12.5906","","12.5906","","5.1168","","90","","90","","120","","702.461","","","","298.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O15.081 Si3 -","- C0.76 H1.602 Al3 Ca0.75 Na3.01 O15.081 Si3 -","- C1.52 H3.204 Al6 Ca1.5 Na6.02 O30.162 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 25 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004042","12.5979","","12.5979","","5.1243","","90","","90","","120","","704.306","","","","374.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O15.068 Si3 -","- C0.76 H1.576 Al3 Ca0.75 Na3.01 O15.068 Si3 -","- C1.52 H3.152 Al6 Ca1.5 Na6.02 O30.136 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 101 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004043","12.6111","","12.6111","","5.1369","","90","","90","","120","","707.518","","","","480.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O15.062 Si3 -","- C0.76 H1.564 Al3 Ca0.75 Na3.01 O15.062 Si3 -","- C1.52 H3.128 Al6 Ca1.5 Na6.02 O30.124 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 207 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004044","12.6268","","12.6268","","5.1514","","90","","90","","120","","711.283","","","","571.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.999 Si3 -","- C0.76 H1.438 Al3 Ca0.75 Na3.01 O14.999 Si3 -","- C1.52 H2.876 Al6 Ca1.5 Na6.02 O29.998 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 298 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004045","12.6414","","12.6414","","5.158","","90","","90","","120","","713.842","","","","678.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.776 Si3 -","- C0.76 H0.992 Al3 Ca0.75 Na3.01 O14.776 Si3 -","- C1.52 H1.984 Al6 Ca1.5 Na6.02 O29.552 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 405 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004046","12.6538","","12.6538","","5.1736","","90","","90","","120","","717.407","","","","769.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.568 Si3 -","- C0.76 H0.576 Al3 Ca0.75 Na3.01 O14.568 Si3 -","- C1.52 H1.152 Al6 Ca1.5 Na6.02 O29.136 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 496 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004047","12.6508","","12.6508","","5.1707","","90","","90","","120","","716.665","","","","784.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.534 Si3 -","- C0.76 H0.508 Al3 Ca0.75 Na3.01 O14.534 Si3 -","- C1.52 H1.016 Al6 Ca1.5 Na6.02 O29.068 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 511 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004048","12.656","","12.656","","5.1728","","90","","90","","120","","717.545","","","","830.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.419 Si3 -","- C0.76 H0.278 Al3 Ca0.75 Na3.01 O14.419 Si3 -","- C1.52 H0.556 Al6 Ca1.5 Na6.02 O28.838 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 557 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004049","12.6631","","12.6631","","5.1753","","90","","90","","120","","718.698","","","","875.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","7","P 63","P 6c","173","","","Cancrinite","- C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.31 Si3 -","- C0.76 H0.06 Al3 Ca0.75 Na3.01 O14.31 Si3 -","- C1.52 H0.12 Al6 Ca1.5 Na6.02 O28.62 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 602 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004050","12.6696","","12.6696","","5.1755","","90","","90","","120","","719.463","","","","921.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","6","P 63","P 6c","173","","","Cancrinite","- C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 -","- C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 -","- C1.484 Al6 Ca1.5 Na6.02 O28.452 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 648 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004051","12.6758","","12.6758","","5.1835","","90","","90","","120","","721.281","","","","966.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","6","P 63","P 6c","173","","","Cancrinite","- C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 -","- C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 -","- C1.484 Al6 Ca1.5 Na6.02 O28.452 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 693 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004052","12.6886","","12.6886","","5.1924","","90","","90","","120","","723.979","","","","1073.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","6","P 63","P 6c","173","","","Cancrinite","- C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 -","- C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 -","- C1.484 Al6 Ca1.5 Na6.02 O28.452 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 800 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004053","12.7034","","12.7034","","5.2031","","90","","90","","120","","727.165","","","","1164.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","6","P 63","P 6c","173","","","Cancrinite","- C0.72 Al3 Ca0.75 Na3.01 O14.16 Si3 -","- C0.72 Al3 Ca0.75 Na3.01 O14.16 Si3 -","- C1.44 Al6 Ca1.5 Na6.02 O28.32 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 891 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004054","12.7187","","12.7187","","5.215","","90","","90","","120","","730.584","","","","1225.15","","","","","","","","Dungannon Township, Bancroft, Ontario, Canada","6","P 63","P 6c","173","","","Cancrinite","- C0.732 Al3 Ca0.75 Na3.01 O14.196 Si3 -","- C0.732 Al3 Ca0.75 Na3.01 O14.196 Si3 -","- C1.464 Al6 Ca1.5 Na6.02 O28.392 Si6 -","2","0.333333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 952 C","American Mineralogist","2006","91","","1117","1124","10.2138/am.2006.2013","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004055","28.097","","4.777","","10.236","","90","","96.81","","90","","1364.18","","","","","","","","","","","","Vetralla, Italy","13","P 1 2/a 1","-P 2ya","13","","","Piergorite-(Ce)","- Al0.49 B8 Be0.54 Ca8.6 Ce1.1 F0.24 Fe0.35 H1.76 Li0.3 O37.76 Si6 Th0.3 Ti0.16 -","- Al0.49 B8 Be0.54 Ca8.6 Ce1.1 F0.24 Fe0.35 H1.76 Li0.3 O37.76 Si6 Th0.3 Ti0.16 -","- Al0.98 B16 Be1.08 Ca17.2 Ce2.2 F0.48 Fe0.7 H3.52 Li0.6 O75.52 Si12 Th0.6 Ti0.32 -","2","0.5","","Boiocchi, M.; Callegari, A.; Ottolini, L.","The crystal structure of piergorite-(Ce), Ca8Ce2(Al0.5Fe3+0.5)Sum1(X,Li,Be)2Si6B8O36(OH,F)2: A new borosilicate from Vetralla, Italy, with a modified hellandite-type chain","American Mineralogist","2006","91","","1170","1177","10.2138/am.2006.2139","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004970","15.8838","","15.8838","","7.1056","","90","","90","","120","","1552.53","","","","","","","","","","","","Kutna Hora, Czech Republic","12","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.46 B3 Ca0.14 F0.01 Fe0.78 H2.49 K0.01 Mg0.12 Mn0.06 Na0.54 O31 Si5.58 -","- Al8.46 B3 Ca0.14 F0.01 Fe0.78 H1.245 K0.01 Mg0.12 Mn0.06 Na0.54 O30.99 Si5.58 -","- Al25.38 B9 Ca0.42 F0.03 Fe2.34 H3.735 K0.03 Mg0.36 Mn0.18 Na1.62 O92.97 Si16.74 -","3","0.166667","","Cempirek, J.; Novak, M.; Ertl, A.; Hughes, J. M.; Rossman, G. R.; Dyar, D.","Fe-bearing olenite with tetrahedrally coordinated Al from an abyssal pegmatite at Kutna Hora, Czech Republic: structure, crystal chemistry, optical and xanes spectra","The Canadian Mineralogist","2006","44","","23","60","10.2113/gscanmin.44.1.23","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9004971","8.914","","5.726","","10.132","","90","","114.87","","90","","469.195","","","","","","","","","","","","Buca della Vena mine, near Stazzema, Apuan Alps, Tuscany, Italy","13","P 1 21/m 1","-P 2yb","11","","","Allanite-(La)","- Al1.871 Ca1.311 Ce0.196 Fe1.009 H La0.274 Mg0.12 Nd0.111 O13 Pr0.101 Si3 Th0.006 Y0.001 -","- Al1.871 Ca1.311 Ce0.196 Fe1.009 H La0.274 Mg0.12 Nd0.111 O13 Pr0.101 Si3 Th0.006 Y0.001 -","- Al3.742 Ca2.622 Ce0.392 Fe2.018 H2 La0.548 Mg0.24 Nd0.222 O26 Pr0.202 Si6 Th0.012 Y0.002 -","2","0.5","","Orlandi, P.; Pasero, M.","Allanite-(La) from Buca della Vena mine, Apuan Alps, Italy, an epidote-group mineral Locality: Buca della Vena mine, near Stazzema, Apuan Alps, Tuscany, Italy","The Canadian Mineralogist","2006","44","","63","68","10.2113/gscanmin.44.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9004972","14.2675","","14.2675","","30.0369","","90","","90","","120","","5295.19","","","","","","","","","","","","Poudrette Quarry, Mont Saint-Hilaire, Rouville County, Quebec, Canada","22","R 3 m :H","R 3 -2""","160","","","Johnsenite-(Ce)","- C H0.5 Ca5.67 Ce0.69 Cl1.5 Dy0.03 Fe0.81 Gd0.06 K0.15 La0.36 Mn2.55 Na11.85 Nb0.16 Nd0.18 O81.38 Pr0.24 Si24.96 Sr0.51 Ti0.3 W0.82 Y0.24 Zr2.7 -","- C Ca5.67 Ce0.69 Cl1.5 Dy0.03 Fe0.81 Gd0.06 K0.15 La0.36 Mn2.55 Na11.85 Nb0.16 Nd0.18 O81.38 Pr0.24 Si24.96 Sr0.51 Ti0.3 W0.82 Y0.24 Zr2.7 -","- C3 Ca17.01 Ce2.07 Cl4.5 Dy0.09 Fe2.43 Gd0.18 K0.45 La1.08 Mn7.65 Na35.55 Nb0.48 Nd0.54 O244.14 Pr0.72 Si74.88 Sr1.53 Ti0.9 W2.46 Y0.72 Zr8.1 -","3","0.166667","","Grice, J. C.; Gault, R. A.","Johnsenite-(Ce): A new member of the eudialyte group from Mont Saint-Hilaire, Quebec, Canada Locality: Poudrette Quarry, Mont Saint-Hilaire, Rouville County, Quebec, Canada Note: Occupancies invented to satisfy constraints from paper","The Canadian Mineralogist","2006","44","","105","115","10.2113/gscanmin.44.1.105","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9004973","12.138","","12.196","","15.944","","78.537","","84.715","","60.47","","2012.66","","","","","","","","","","","","Lengenbach, Switzerland","6","P -1","-P 1","2","","","Gabrielite","- Ag2.63 As8.55 Cu6.37 S21 Sb0.45 Tl6 -","- Ag2.63 As8.55 Cu6.37 S21 Sb0.45 Tl6 -","- Ag5.26 As17.1 Cu12.74 S42 Sb0.9 Tl12 -","2","1","","Balic-Zunic T; Makovicky, E.; Karanovic, L.; Poleti, D.; Graeser, S.","The crystal structure of gabrielite, Tl2AgCu2As3S7, a new species of thallium sulfosalt from Lengenbach, Switzerland","The Canadian Mineralogist","2006","44","","141","158","10.2113/gscanmin.44.1.141","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004974","13.567","","20.655","","4.1216","","90","","90","","90","","1154.98","","","","","","","","","","","","Vulcano, Aeolian Islands, Italy","4","B b m m","-B 2 2b","63","","","Lillianite","- Bi1.962 Pb2.962 S5.76 Se0.24 -","- Bi1.962 Pb2.962 S5.76 Se0.24 -","- Bi7.848 Pb11.848 S23.04 Se0.96 -","4","0.25","","Pinto, D.; Balic-Zunic T; Garavelli, A.; Makovicky, E.; Vurro, F.","Comparative crystal-structure study of Ag-free lillianite and galenobismutite from Vulcano, Aeolian Islands, Italy","The Canadian Mineralogist","2006","44","","159","175","10.2113/gscanmin.44.1.159","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004975","11.815","","14.593","","4.0814","","90","","90","","90","","703.7","","","","","","","","","","","","Vulcano, Aeolian Islands, Italy","4","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi2 Pb S3.87 Se0.13 -","- Bi2 Pb S3.87 Se0.13 -","- Bi8 Pb4 S15.48 Se0.52 -","4","0.5","","Pinto, D.; Balic-Zunic T; Garavelli, A.; Makovicky, E.; Vurro, F.","Comparative crystal-structure study of Ag-free lillianite and galenobismutite from Vulcano, Aeolian Islands, Italy","The Canadian Mineralogist","2006","44","","159","175","10.2113/gscanmin.44.1.159","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004976","8.621","","26.03","","8.81","","90","","119.21","","90","","1725.6","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","Kirkiite","- As3.84 Bi2.16 Pb10 S19 -","- As3.84 Bi2.16 Pb10 S19 -","- As7.68 Bi4.32 Pb20 S38 -","2","0.5","","Makovicky, E.; Balic-Zunic T; Karanovic, L.; Poleti, D.","The crystal structure of kirkiite, Pb10Bi3As3S19 Locality: lead-zinc deposit of Aghios Philippos, near Kirki, in Thrace, Greece","The Canadian Mineralogist","2006","44","1","177","188","10.2113/gscanmin.44.1.177","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004977","4.0044","","33.5754","","11.4795","","90","","90","","90","","1543.41","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","Gladite","- Bi5 Cu Pb S9 -","- Bi5 Cu Pb S9 -","- Bi20 Cu4 Pb4 S36 -","4","0.5","","Petricek, V.; Makovicky, E.","Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Sample: superspace refinement","The Canadian Mineralogist","2006","44","","189","206","10.2113/gscanmin.44.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004978","4.0044","","33.5754","","11.4795","","90","","90","","90","","1543.41","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","Gladite","- Bi5 Cu Pb S9 -","- Bi5 Cu Pb S9 -","- Bi20 Cu4 Pb4 S36 -","4","0.5","","Petricek, V.; Makovicky, E.","Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Sample: supercell refinement","The Canadian Mineralogist","2006","44","","189","206","10.2113/gscanmin.44.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004979","5.4371","","5.4371","","10.8479","","90","","90","","90","","320.686","","","","","","","","","","","","Gies gold-silver telluride deposit, Judith Mountains, Montana, USA","3","I -4 2 d","I -4 2bw","122","","","Lenaite","- Ag Fe S2 -","- Ag Fe S2 -","- Ag4 Fe4 S8 -","4","0.25","","Bindi, L.; Spry, P. G.; Pratesi, G.","Lenaite from the Gies gold-silver telluride deposit, Judith Mountains, Montana, USA: occurrence, composition, and crystal structure Locality: Gies gold-silver telluride deposit, Judith Mountains, Montana, USA","The Canadian Mineralogist","2006","44","","207","212","10.2113/gscanmin.44.1.207","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004980","6.4463","","8.5999","","10.2532","","90","","75.936","","90","","551.374","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- Ba O6 Ti U -","- Ba O6 Ti U -","- Ba4 O24 Ti4 U4 -","4","1","","Wallwork, K. S.; James, M.; Carter, M. L.","The crystal chemistry, structure and properties of a synthetic carnotite-type compound, Ba2[(UO2)2Ti2O8]","The Canadian Mineralogist","2006","44","","433","442","10.2113/gscanmin.44.2.433","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004981","11.832","","14.64","","4.0817","","90","","90","","90","","707.034","","","","","","","","","","","","Vulcano, Aeolian Islands, Italy","5","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi1.85 Cl0.168 Pb1.14 S3.738 Se0.094 -","- Bi1.85 Cl0.168 Pb1.14 S3.738 Se0.094 -","- Bi7.4 Cl0.672 Pb4.56 S14.952 Se0.376 -","4","0.5","","Pinto, D.; Balic-Zunic T; Bonaccorsi, E.; Borodaev, Y. S.; Garavelli, A.; Garbarino, C.; Makovicky, E.; Mozgova, N. N.; Vurro, F.","Rare sulfosalts from Vulcano, Aeolian Islands, Italy. VII. Cl-bearing galenobismutite Locality: Vulcano, Aeolian Islands, Italy Sample: FF-1991a","The Canadian Mineralogist","2006","44","","443","457","10.2113/gscanmin.44.2.443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004982","11.846","","14.667","","4.085","","90","","90","","90","","709.749","","","","","","","","","","","","Vulcano, Aeolian Islands, Italy","5","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi0.91 Cl0.1 Pb0.575 S1.792 Se0.131 -","- Bi0.91 Cl0.1 Pb0.575 S1.792 Se0.1305 -","- Bi7.28 Cl0.8 Pb4.6 S14.336 Se1.044 -","8","1","","Pinto, D.; Balic-Zunic T; Bonaccorsi, E.; Borodaev, Y. S.; Garavelli, A.; Garbarino, C.; Makovicky, E.; Mozgova, N. N.; Vurro, F.","Rare sulfosalts from Vulcano, Aeolian Islands, Italy. VII. Cl-bearing galenobismutite Locality: Vulcano, Aeolian Islands, Italy Sample: FF-1991b","The Canadian Mineralogist","2006","44","","443","457","10.2113/gscanmin.44.2.443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004983","12.703","","4.0305","","28.925","","90","","102.484","","90","","1445.93","","","","","","","","","","","","Grube Clara, Black Forest, Germany","5","P 1 21/m 1","-P 2yb","11","","","Berryite","- Ag2 Bi7 Cu3 Pb3 S16 -","- Ag2 Bi7 Cu3 Pb3 S16 -","- Ag4 Bi14 Cu6 Pb6 S32 -","2","0.5","","Topa, D.; Makovicky, E.; Putz, H.; Mumme, W. G.","The crystal structure of berryite, Cu3Ag2Pb3Bi7S16 Note: y-coordinates corrected by author","The Canadian Mineralogist","2006","44","","465","480","10.2113/gscanmin.44.2.465","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004984","17.585","","3.9386","","28.453","","90","","105.41","","90","","1899.82","","","","","","","","","","","","Bihor, Romania","5","P 1 21/m 1","-P 2yb","11","","","Paderaite","- Ag0.2 Bi11.34 Cu7.09 Pb1.37 S22 -","- Ag0.2 Bi11.34 Cu7.09 Pb1.37 S22 -","- Ag0.4 Bi22.68 Cu14.18 Pb2.74 S44 -","2","0.5","","Topa, D.; Makovicky, E.","The crystal structure of paderaite, Cu7(X0.33Pb1.33Bi11.33)Sum13S22, with X = Cu or Ag: New data and interpretation","The Canadian Mineralogist","2006","44","","481","495","10.2113/gscanmin.44.2.481","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004985","17.573","","3.9426","","28.423","","90","","105.525","","90","","1897.39","","","","","","","","","","","","Swartberg, South Africa","4","P 1 21/m 1","-P 2yb","11","","","Paderaite","- Bi11.34 Cu7.32 Pb1.34 S22 -","- Bi11.34 Cu7.32 Pb1.34 S22 -","- Bi22.68 Cu14.64 Pb2.68 S44 -","2","0.5","","Topa, D.; Makovicky, E.","The crystal structure of paderaite, Cu7(X0.33Pb1.33Bi11.33)Sum13S22, with X = Cu or Ag: New data and interpretation","The Canadian Mineralogist","2006","44","","481","495","10.2113/gscanmin.44.2.481","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004986","5.672","","9.909","","6.264","","90","","115.4","","90","","318.029","","","","","","","","","","","","El Chire, La Rioja, Argentina","4","P 1 21/c 1","-P 2ybc","14","","","Jagueite","- Ag0.1 Cu1.9 Pd3 Se4 -","- Ag0.1 Cu1.9 Pd3 Se4 -","- Ag0.2 Cu3.8 Pd6 Se8 -","2","0.5","","Topa, D.; Makovicky, E.; Balic-Zunic T","The crystal structures of jagueite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4","The Canadian Mineralogist","2006","44","","497","505","10.2113/gscanmin.44.2.497","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004987","5.676","","10.342","","6.341","","90","","114.996","","90","","337.361","","","","","","","","","","","","El Chire, La Rioja, Argentina","4","P 1 21/c 1","-P 2ybc","14","","","Chrisstanleyite","- Ag1.592 Cu0.4 Pd3 Se4 -","- Ag1.592 Cu0.4 Pd3 Se4 -","- Ag3.184 Cu0.8 Pd6 Se8 -","2","0.5","","Topa, D.; Makovicky, E.; Balic-Zunic T","The crystal structures of jagueite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4","The Canadian Mineralogist","2006","44","","497","505","10.2113/gscanmin.44.2.497","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004988","18.468","","6.1475","","15.314","","90","","119.284","","90","","1516.44","","","","","","","","","","","","fumaroles of the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia","5","C 1 2/m 1","-C 2y","12","","","Allochalcoselite","- Cl5 Cu6 O8 Pb Se2 -","- Cl5 Cu6 O8 Pb Se2 -","- Cl20 Cu24 O32 Pb4 Se8 -","4","0.5","","Krivovichev, S. V.; Filatov, S. K.; Burns, P. C.; Vergasova, L. P.","The crystal structure of allochalcoselite, Cu+Cu2+5PbO2(SeO3)2Cl5, a mineral with well-defined Cu+ and Cu2+ positions Locality: fumaroles of the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia","The Canadian Mineralogist","2006","44","","507","514","10.2113/gscanmin.44.2.507","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004989","26.069","","5.8354","","22.736","","90","","102.612","","90","","3375.22","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Blixite","- Cl4 H2 O7 Pb8 -","- Cl4 H2 O7 Pb8 -","- Cl32 H16 O56 Pb64 -","8","1","","Krivovichev, S. V.; Burns, P. C.","The crystal structure of Pb8O5(OH)2Cl4, a synthetic analogue of blixite?","The Canadian Mineralogist","2006","44","","515","522","10.2113/gscanmin.44.2.515","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004990","8.408","","9.8699","","16.7083","","90","","90","","90","","1386.56","","","","","","","","","","","","Khibina peralkaline complex, Kola alkaline province, Russia","5","I b a 2","I 2 -2c","45","","","Stronalsite","- Al4 Na2 O16 Si4 Sr -","- Al4 Na2 O16 Si4 Sr -","- Al16 Na8 O64 Si16 Sr4 -","4","0.5","","Liferovich, R. P.; Locock, A. J.; Mitchell, R. H.; Shpachenko, A. K.","The crystal structure of stronalsite and a redetermination of the structure of banalsite","The Canadian Mineralogist","2006","44","","533","546","10.2113/gscanmin.44.2.533","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004991","8.54","","10.0127","","16.7897","","90","","90","","90","","1435.66","","","","","","","","","","","","Benallt mine, Wales","5","I b a 2","I 2 -2c","45","","","Banalsite","- Al4 Ba Na2 O16 Si4 -","- Al4 Ba Na2 O16 Si4 -","- Al16 Ba4 Na8 O64 Si16 -","4","0.5","","Liferovich, R. P.; Locock, A. J.; Mitchell, R. H.; Shpachenko, A. K.","The crystal structure of stronalsite and a redetermination of the structure of banalsite","The Canadian Mineralogist","2006","44","","533","546","10.2113/gscanmin.44.2.533","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004992","8.5068","","9.9811","","16.7485","","90","","90","","90","","1422.07","","","","","","","","","","","","Langban, Sweden","5","I b a 2","I 2 -2c","45","","","Banalsite","- Al4 Ba Na2 O16 Si4 -","- Al4 Ba Na2 O16 Si4 -","- Al16 Ba4 Na8 O64 Si16 -","4","0.5","","Liferovich, R. P.; Locock, A. J.; Mitchell, R. H.; Shpachenko, A. K.","The crystal structure of stronalsite and a redetermination of the structure of banalsite","The Canadian Mineralogist","2006","44","","533","546","10.2113/gscanmin.44.2.533","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005729","5.385","","9.202","","10.181","","90","","100.13","","90","","496.632","","","","","","","","","","","","Colli Albani volcano, central Italy","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.336 Ba0.035 Cr0.003 Fe0.606 K0.964 Mg2.226 Mn0.009 O12 Si2.7 Ti0.123 -","- Al1.336 Ba0.035 Cr0.003 Fe0.606 K0.964 Mg2.226 Mn0.009 O12 Si2.7 Ti0.123 -","- Al2.672 Ba0.07 Cr0.006 Fe1.212 K1.928 Mg4.452 Mn0.018 O24 Si5.4 Ti0.246 -","2","0.25","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: CC","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005730","5.318","","9.205","","10.23","","90","","100.02","","90","","493.143","","","","","","","","","","","","Colli Albani volcano, central Italy","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.403 Ba0.008 Fe0.573 K0.988 Mg1.827 Mn0.006 O12 Si2.912 Ti0.165 -","- Al1.403 Ba0.008 Fe0.573 K0.988 Mg1.827 Mn0.006 O12 Si2.912 Ti0.165 -","- Al2.806 Ba0.016 Fe1.146 K1.976 Mg3.654 Mn0.012 O24 Si5.824 Ti0.33 -","2","0.25","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: 5D","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005731","5.3231","","9.224","","10.241","","90","","100.02","","90","","495.166","","","","","","","","","","","","Colli Albani volcano, central Italy","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.596 Ba0.081 Fe0.3 K0.931 Mg2.43 Mn0.009 O12 Si2.62 Ti0.045 -","- Al1.596 Ba0.081 Fe0.3 K0.931 Mg2.43 Mn0.009 O12 Si2.62 Ti0.045 -","- Al3.192 Ba0.162 Fe0.6 K1.862 Mg4.86 Mn0.018 O24 Si5.24 Ti0.09 -","2","0.25","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: CA1","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005732","5.318","","9.203","","10.259","","90","","99.96","","90","","494.524","","","","","","","","","","","","Colli Albani volcano, central Italy","11","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.616 Ba0.099 Ca0.002 Cr0.003 Fe0.219 K0.938 Mg2.409 Mn0.006 O12 Si2.708 Ti0.012 -","- Al1.616 Ba0.099 Ca0.002 Cr0.003 Fe0.219 K0.938 Mg2.409 Mn0.006 O12 Si2.708 Ti0.012 -","- Al3.232 Ba0.198 Ca0.004 Cr0.006 Fe0.438 K1.876 Mg4.818 Mn0.012 O24 Si5.416 Ti0.024 -","2","0.25","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: CA2","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005733","5.3235","","9.217","","10.243","","90","","99.98","","90","","494.985","","","","","","","","","","","","Colli Albani volcano, central Italy","8","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.452 Ba0.005 Fe0.597 K0.994 Mg1.848 O12 Si2.896 Ti0.144 -","- Al1.452 Ba0.005 Fe0.597 K0.994 Mg1.848 O12 Si2.896 Ti0.144 -","- Al2.904 Ba0.01 Fe1.194 K1.988 Mg3.696 O24 Si5.792 Ti0.288 -","2","0.25","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: 6B","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005734","5.3318","","9.227","","10.244","","90","","100.005","","90","","496.305","","","","","","","","","","","","Colli Albani volcano, central Italy","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.287 Ba0.023 Fe0.513 K0.985 Mg2.331 Mn0.003 O12 Si2.728 Ti0.138 -","- Al1.287 Ba0.023 Fe0.513 K0.985 Mg2.331 Mn0.003 O12 Si2.728 Ti0.138 -","- Al2.574 Ba0.046 Fe1.026 K1.97 Mg4.662 Mn0.006 O24 Si5.456 Ti0.276 -","2","0.25","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: AA3","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005735","5.3288","","9.227","","10.246","","90","","99.98","","90","","496.161","","","","","","","","","","","","Colli Albani volcano, central Italy","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.337 Ba0.017 Ca0.001 Fe0.471 K0.984 Mg2.334 Mn0.003 O12 Si2.72 Ti0.135 -","- Al1.337 Ba0.017 Ca0.001 Fe0.471 K0.984 Mg2.334 Mn0.003 O12 Si2.72 Ti0.135 -","- Al2.674 Ba0.034 Ca0.002 Fe0.942 K1.968 Mg4.668 Mn0.006 O24 Si5.44 Ti0.27 -","2","0.25","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: AA4","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005736","5.334","","9.24","","20.064","","90","","95.17","","90","","984.854","","","","","","","","","","","","Colli Albani volcano, central Italy","10","C 1 2/c 1","-C 2yc","15","","","Phlogopite","- Al1.364 Ba0.023 Cr0.003 Fe1.287 K0.976 Mg1.08 Mn0.009 O12 Si2.84 Ti0.381 -","- Al1.364 Ba0.023 Cr0.003 Fe1.287 K0.976 Mg1.08 Mn0.009 O12 Si2.84 Ti0.381 -","- Al5.456 Ba0.092 Cr0.012 Fe5.148 K3.904 Mg4.32 Mn0.036 O48 Si11.36 Ti1.524 -","4","0.5","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: 8A","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005747","8.3312","","11.267","","5.661","","90","","90","","90","","531.385","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H4 Al K O6 -","- C H4 Al K O6 -","- C4 H16 Al4 K4 O24 -","4","1","","Fernandez-Carrasco L; Rius, J.","Synthesis and crystal structure determination of hydrated potassium dawsonite from powder diffraction data","European Journal of Mineralogy","2006","18","","99","104","10.1127/0935-1221/2006/0018-0099","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005748","11.835","","6.328","","9.983","","90","","105.81","","90","","719.363","","","","","","","","","","","","Okatjimukuju, Karibib, Namibia","4","I 1 2/a 1","-I 2ya","15","","","Stanekite","- Fe1.1 Mn0.81 O5 P -","- Fe1.1 Mn0.81 O5 P -","- Fe8.8 Mn6.48 O40 P8 -","8","1","","Keller, P.; Lissner, F.; Schleid, T.","The crystal structure of stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O, from Okatjimukuju, Karibib (Namibia), and its relationship to the polymorphs of synthetic Fe2[PO4]O Locality: Okatjimukuju, Karibib, Namibia Note: Uiso(O4) corrected","European Journal of Mineralogy","2006","18","","113","118","10.1127/0935-1221/2006/0018-0113","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005749","9.7226","","18.28","","5.427","","90","","90","","90","","964.536","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Rhomboclase","- Fe H9.384 O12 S2 -","- Fe H7 O12 S2 -","- Fe4 H28 O48 S8 -","4","0.5","","Majzlan J; Navrotsky A; McCleskey R B; Alpers C N","Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5 Locality: synthetic","European Journal of Mineralogy","2006","18","","175","186","10.1127/0935-1221/2006/0018-0175","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9005750","7.3867","","18.363","","7.3275","","93.94","","102.201","","98.916","","954.414","","","","","","","","","","","","Synthetic","3","P -1","-P 1","2","","","Ferricopiapite","- Fe4.619 O46 S6 -","- Fe4.619 O46 S6 -","- Fe4.619 O46 S6 -","1","0.5","","Majzlan, J.; Navrotsky, A.; McCleskey, R. B.; Alpers, C. N.","Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5","European Journal of Mineralogy","2006","18","","175","186","10.1127/0935-1221/2006/0018-0175","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005751","10.9153","","10.9153","","17.077","","90","","90","","120","","1762.03","","","","","","","","","","","","Synthetic","5","P -3 1 c","-P 3 2c","163","","","Coquimbite","- Al1.058 Fe2.942 H36 O42 S6 -","- Al1.058 Fe2.942 H36 O42 S6 -","- Al2.116 Fe5.884 H72 O84 S12 -","2","0.166667","","Majzlan, J.; Navrotsky, A.; McCleskey, R. B.; Alpers, C. N.","Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5","European Journal of Mineralogy","2006","18","","175","186","10.1127/0935-1221/2006/0018-0175","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005752","5.494","","5.494","","7.09","","90","","90","","120","","185.334","","","","","","","","","","","","Herja, Romania","4","P 3 1 m","P 3 -2","157","","","Cronstedtite","- Fe3.63 H4 O9 Si1.37 -","- Fe3.63 H4 O9 Si1.37 -","- Fe3.63 H4 O9 Si1.37 -","1","0.166667","","Hybler, J.","Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: HER Note: 1T polytype","European Journal of Mineralogy","2006","18","","197","205","10.1127/0935-1221/2006/0018-0197","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005753","5.495","","5.495","","7.09","","90","","90","","120","","185.401","","","","","","","","","","","","Lostwithiel, England","4","P 3 1 m","P 3 -2","157","","","Cronstedtite","- Fe3.578 H4 O9 Si1.422 -","- Fe3.578 H4 O9 Si1.422 -","- Fe3.578 H4 O9 Si1.422 -","1","0.166667","","Hybler, J.","Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: LOS Note: 1T polytype","European Journal of Mineralogy","2006","18","","197","205","10.1127/0935-1221/2006/0018-0197","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005754","5.501","","5.501","","7.106","","90","","90","","120","","186.225","","","","","","","","","","","","Roznava, Slovakia","4","P 3 1 m","P 3 -2","157","","","Cronstedtite","- Fe3.44 H4 O9 Si1.56 -","- Fe3.44 H4 O9 Si1.56 -","- Fe3.44 H4 O9 Si1.56 -","1","0.166667","","Hybler, J.","Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: ROZ Note: 1T polytype","European Journal of Mineralogy","2006","18","","197","205","10.1127/0935-1221/2006/0018-0197","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005755","5.49","","5.49","","7.086","","90","","90","","120","","184.959","","","","","","","","","","","","Litosice, Czech Republic","4","P 3 1 m","P 3 -2","157","","","Cronstedtite","- Fe3.52 H4 O9 Si1.48 -","- Fe3.52 H4 O9 Si1.48 -","- Fe3.52 H4 O9 Si1.48 -","1","0.166667","","Hybler, J.","Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: LIT Note: 1T polytype","European Journal of Mineralogy","2006","18","","197","205","10.1127/0935-1221/2006/0018-0197","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007411","4.7375","","10.292","","7.8897","","109.071","","90","","90","","363.575","","","","500","","","","","","","","Tilly Foster Mine, Brewster, New York","6","P 21/b 1 1","-P 2xab","14","","","Chondrodite","- F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 -","- F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 -","- F2.28 Fe0.24 H1.72 Mg9.76 O17.72 Si4 -","2","0.5","","Kunz, M.; Lager, G. A.; Burgi, H. B.; Fernandez-Diaz M T","High-temperature single-crystal neutron diffraction study of natural chondrodite Sample: T = 500 K","Physics and Chemistry of Minerals","2006","33","","17","27","10.1007/s00269-005-0035-0","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007412","4.7426","","10.3082","","7.901","","109.072","","90","","90","","365.059","","","","700","","","","","","","","Tilly Foster Mine, Brewster, New York","6","P 21/b 1 1","-P 2xab","14","","","Chondrodite","- F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 -","- F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 -","- F2.28 Fe0.24 H1.72 Mg9.76 O17.72 Si4 -","2","0.5","","Kunz, M.; Lager, G. A.; Burgi, H. B.; Fernandez-Diaz M T","High-temperature single-crystal neutron diffraction study of natural chondrodite Sample: T = 700 K","Physics and Chemistry of Minerals","2006","33","","17","27","10.1007/s00269-005-0035-0","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007413","4.7501","","10.3297","","7.91912","","109.048","","90","","90","","367.292","","","","900","","","","","","","","Tilly Foster Mine, Brewster, New York","6","P 21/b 1 1","-P 2xab","14","","","Chondrodite","- F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 -","- F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 -","- F2.28 Fe0.24 H1.72 Mg9.76 O17.72 Si4 -","2","0.5","","Kunz, M.; Lager, G. A.; Burgi, H. B.; Fernandez-Diaz M T","High-temperature single-crystal neutron diffraction study of natural chondrodite Sample: T = 900 K","Physics and Chemistry of Minerals","2006","33","","17","27","10.1007/s00269-005-0035-0","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007414","7.0826","","8.7156","","6.5767","","90","","113.911","","90","","371.132","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca0.9 Na0.1 O5 Si Ta0.1 Ti0.9 -","- Ca0.9 Na0.1 O5 Si Ta0.1 Ti0.9 -","- Ca3.6 Na0.4 O20 Si4 Ta0.4 Ti3.6 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa1","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007415","7.1122","","8.7166","","6.5962","","90","","114.078","","90","","373.346","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca0.8 Na0.2 O5 Si Ta0.2 Ti0.8 -","- Ca0.8 Na0.2 O5 Si Ta0.2 Ti0.8 -","- Ca3.2 Na0.8 O20 Si4 Ta0.8 Ti3.2 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa2","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007416","7.0547","","8.7121","","6.5629","","90","","113.75","","90","","369.204","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.1 Ca O5 Si Ta0.1 Ti0.8 -","- Al0.1 Ca O5 Si Ta0.1 Ti0.8 -","- Al0.4 Ca4 O20 Si4 Ta0.4 Ti3.2 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa1","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007417","7.061","","8.7162","","6.5697","","90","","113.742","","90","","370.113","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.2 Ca O5 Si Ta0.2 Ti0.6 -","- Al0.2 Ca O5 Si Ta0.2 Ti0.6 -","- Al0.8 Ca4 O20 Si4 Ta0.8 Ti2.4 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa2","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007418","7.0699","","8.722","","6.5776","","90","","113.744","","90","","371.266","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.3 Ca O5 Si Ta0.3 Ti0.4 -","- Al0.3 Ca O5 Si Ta0.3 Ti0.4 -","- Al1.2 Ca4 O20 Si4 Ta1.2 Ti1.6 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa3","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007419","7.8678","","7.8678","","9.5771","","90","","90","","120","","513.418","","","","","","","","","","","","","4","P 63","P 6c","173","","","Topaz","- Fe0.117 Mg6.217 O14 Si2 -","- Fe0.117 Mg6.217 O14 Si2 -","- Fe0.234 Mg12.434 O28 Si4 -","2","0.333333","","Holl, C. M.; Smyth, J. R.; Manghnani, M. H.; Amulele, G. M.; Sekar, M.; Frost, D. J.; Prakapenka, V. B.; Shen, G.","Crystal structure and compression of an iron-bearing Phase A to 33 GPa","Physics and Chemistry of Minerals","2006","33","","192","199","10.1007/s00269-006-0073-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007420","4.6627","","8.8343","","8.3867","","90","","90","","90","","345.462","","","","","","","","100","","","","","4","P b n m","-P 2c 2ab","62","","","Topaz","- Al2 F2 O4 Si -","- Al2 F2 O4 Si -","- Al8 F8 O16 Si4 -","4","0.5","","Gatta, G. D.; Nestola, F.; Ballaran, T. B.","Elastic behaviour and structural evolution of topaz at high pressure Locality: Ouro Preto, Minas Gerias, Brazil Sample: P = .0001 GPa","Physics and Chemistry of Minerals","2006","33","","235","242","10.1007/s00269-006-0075-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007421","4.6325","","8.7938","","8.3254","","90","","90","","90","","339.154","","","","","","","","3140000","","","","","4","P b n m","-P 2c 2ab","62","","","Topaz","- Al2 F2 O4 Si -","- Al2 F2 O4 Si -","- Al8 F8 O16 Si4 -","4","0.5","","Gatta, G. D.; Nestola, F.; Ballaran, T. B.","Elastic behaviour and structural evolution of topaz at high pressure Locality: Ouro Preto, Minas Gerias, Brazil Sample: P = 3.14 GPa","Physics and Chemistry of Minerals","2006","33","","235","242","10.1007/s00269-006-0075-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007422","4.6071","","8.7614","","8.2765","","90","","90","","90","","334.078","","","","","","","","5790000","","","","","4","P b n m","-P 2c 2ab","62","","","Topaz","- Al2 F2 O4 Si -","- Al2 F2 O4 Si -","- Al8 F8 O16 Si4 -","4","0.5","","Gatta, G. D.; Nestola, F.; Ballaran, T. B.","Elastic behaviour and structural evolution of topaz at high pressure Locality: Ouro Preto, Minas Gerias, Brazil Sample: P = 5.79 GPa","Physics and Chemistry of Minerals","2006","33","","235","242","10.1007/s00269-006-0075-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007423","4.5841","","8.7308","","8.2316","","90","","90","","90","","329.452","","","","","","","","8390000","","","","","4","P b n m","-P 2c 2ab","62","","","Topaz","- Al2 F2 O4 Si -","- Al2 F2 O4 Si -","- Al8 F8 O16 Si4 -","4","0.5","","Gatta, G. D.; Nestola, F.; Ballaran, T. B.","Elastic behaviour and structural evolution of topaz at high pressure Locality: Ouro Preto, Minas Gerias, Brazil Sample: P = 8.39 GPa","Physics and Chemistry of Minerals","2006","33","","235","242","10.1007/s00269-006-0075-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007424","5.434","","5.434","","7.153","","90","","90","","120","","182.919","","","","","","","","","","","","","4","P 1","P 1","1","","","Lizardite","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","1","1","","Auzende, A. L.; Pellenq, R. J. M.; Devouard, B.; Baronnet, A.; Grauby, O.","Atomistic calculations of structural and elastic properties of serpentine minerals: the case of lizardite Note: 1T polytype Note: Hypothetical structure derived using semi-empirical potentials","Physics and Chemistry of Minerals","2006","33","","266","275","10.1007/s00269-006-0078-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008008","8.2223","","11.6292","","24.6085","","90","","90","","90","","2353.03","","298","2","298","2","","","","","","","Synthetic","2","F d d d :2","-F 2uv 2vw","70","Scandium sesquitelluride","Discandium tritelluride","","- Sc2 Te3 -","- Sc2 Te3 -","- Sc32 Te48 -","16","0.5","WM6121","Assoud, A.; Kleinke, H.","The sesquitelluride Sc~2~Te~3~","Acta Crystallographica Section E","2006","62","1","i17","i18","10.1107/S1600536805041747","","","0.71073","MoKα","","0.0352","0.0308","","","0.0852","0.0891","","","","","","1.409","","","","has coordinates","282068","2023-03-26","10:21:06",""
"9008009","13.9038","","13.9038","","13.9038","","90","","90","","90","","2687.82","","","","","","","","","","","","Searles Lake, Trona, San Bernardino County, California, USA","5","F d -3 :2","-F 2uv 2vw 3","203","","","Tychite","- C4 Mg2 Na6 O16 S -","- C4 Mg2 Na6 O16 S -","- C32 Mg16 Na48 O128 S8 -","8","0.0833333","","Schmidt, G. R.; Reynard, J.; Yang, H.; Downs, R. T.","Tychite, Na6Mg2(SO4)(CO3)4: Structure analysis and Raman spectroscopic data","Acta Crystallographica, Section E","2006","62","","i207","i209","10.1107/S160053680603491X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009997","15.7866","","15.7866","","9.1015","","90","","90","","120","","1964.36","","","","","","","","","","","","Bisbee, Arizona, USA","6","P 63/m m c","-P 6c 2c","194","","","Connellite","- Cl0.827 Cu7.5 H27.75 N0.021 O28.487 S0.056 -","- Cl0.827 Cu7.5 H27.75 N0.021 O28.487 S0.056 -","- Cl1.654 Cu15 H55.5 N0.042 O56.974 S0.112 -","2","0.0833333","","Hibbs, D. E.; Leverett, P.; Williams, P. A.","Connellite from Bisbee, Arizona: A single-crystal X-ray study","Axis","2006","2","","1","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010059","11.494","","11.494","","11.494","","90","","90","","90","","1518.5","","","","","","","","","","","","Synthetic","5","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg2.85 O12 Sc0.3 Si2.85 -","- Al2 Mg2.85 O12 Sc0.3 Si2.85 -","- Al16 Mg22.8 O96 Sc2.4 Si22.8 -","8","0.0833333","","Oberti, R.; Quartieri, S.; Dalconi, M. C.; Boscherini, F.; Iezzi, G.; Boiocchi, M.; Eeckhout, S. G.","Site preference and local geometry of Sc in garnets: Part I. Multifarious mechanisms in the pyrope-grossular join Sample: prp","American Mineralogist","2006","91","","1230","1239","10.2138/am.2006.2037","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010060","11.883","","11.883","","11.883","","90","","90","","90","","1677.95","","","","","","","","","","","","Synthetic","5","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al1.86 Ca2.85 O12 Sc0.44 Si2.85 -","- Al1.86 Ca2.85 O12 Sc0.44 Si2.85 -","- Al14.88 Ca22.8 O96 Sc3.52 Si22.8 -","8","0.0833333","","Oberti, R.; Quartieri, S.; Dalconi, M. C.; Boscherini, F.; Iezzi, G.; Boiocchi, M.; Eeckhout, S. G.","Site preference and local geometry of Sc in garnets: Part I. Multifarious mechanisms in the pyrope-grossular join Sample: prp","American Mineralogist","2006","91","","1230","1239","10.2138/am.2006.2037","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010061","12.0578","","12.0578","","12.0578","","90","","90","","90","","1753.09","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca3 Fe2 O12 Si3 -","- Ca3 Fe2 O12 Si3 -","- Ca24 Fe16 O96 Si24 -","8","0.0833333","","Quartieri, S.; Oberti, R.; Boiocchi, M.; Dalconi, M. C.; Boscherini, F.; Safonova, O.; Woodland, A. B.","Site preference and local geometry of Sc in garnets: Part II. The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join Sample: adr100","American Mineralogist","2006","91","","1240","1248","10.2138/am.2006.2038","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010062","12.0748","","12.0748","","12.0748","","90","","90","","90","","1760.52","","","","","","","","","","","","Synthetic","5","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca3 Fe1.8 O12 Sc0.2 Si3 -","- Ca3 Fe1.8 O12 Sc0.2 Si3 -","- Ca24 Fe14.4 O96 Sc1.6 Si24 -","8","0.0833333","","Quartieri, S.; Oberti, R.; Boiocchi, M.; Dalconi, M. C.; Boscherini, F.; Safonova, O.; Woodland, A. B.","Site preference and local geometry of Sc in garnets: Part II. The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join Sample: adr90CaSc10","American Mineralogist","2006","91","","1240","1248","10.2138/am.2006.2038","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010063","12.0938","","12.0938","","12.0938","","90","","90","","90","","1768.84","","","","","","","","","","","","Synthetic","5","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca3 Fe1.6 O12 Sc0.4 Si3 -","- Ca3 Fe1.6 O12 Sc0.4 Si3 -","- Ca24 Fe12.8 O96 Sc3.2 Si24 -","8","0.0833333","","Quartieri, S.; Oberti, R.; Boiocchi, M.; Dalconi, M. C.; Boscherini, F.; Safonova, O.; Woodland, A. B.","Site preference and local geometry of Sc in garnets: Part II. The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join Sample: adr80CaSc20","American Mineralogist","2006","91","","1240","1248","10.2138/am.2006.2038","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010064","12.1128","","12.1128","","12.1128","","90","","90","","90","","1777.19","","","","","","","","","","","","Synthetic","5","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca3 Fe1.44 O12 Sc0.56 Si3 -","- Ca3 Fe1.44 O12 Sc0.56 Si3 -","- Ca24 Fe11.52 O96 Sc4.48 Si24 -","8","0.0833333","","Quartieri, S.; Oberti, R.; Boiocchi, M.; Dalconi, M. C.; Boscherini, F.; Safonova, O.; Woodland, A. B.","Site preference and local geometry of Sc in garnets: Part II. The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join Sample: adr70CaSc30","American Mineralogist","2006","91","","1240","1248","10.2138/am.2006.2038","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010065","12.1493","","12.1493","","12.1493","","90","","90","","90","","1793.3","","","","","","","","","","","","Synthetic","5","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca3 Fe1.02 O12 Sc0.98 Si3 -","- Ca3 Fe1.02 O12 Sc0.98 Si3 -","- Ca24 Fe8.16 O96 Sc7.84 Si24 -","8","0.0833333","","Quartieri, S.; Oberti, R.; Boiocchi, M.; Dalconi, M. C.; Boscherini, F.; Safonova, O.; Woodland, A. B.","Site preference and local geometry of Sc in garnets: Part II. The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join Sample: adr50CaSc50","American Mineralogist","2006","91","","1240","1248","10.2138/am.2006.2038","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010066","12.1917","","12.1917","","12.1917","","90","","90","","90","","1812.14","","","","","","","","","","","","Synthetic","5","I a -3 d","-I 4bd 2c 3","230","","","","- Ca3 Fe0.64 O12 Sc1.36 Si3 -","- Ca3 Fe0.64 O12 Sc1.36 Si3 -","- Ca24 Fe5.12 O96 Sc10.88 Si24 -","8","0.0833333","","Quartieri, S.; Oberti, R.; Boiocchi, M.; Dalconi, M. C.; Boscherini, F.; Safonova, O.; Woodland, A. B.","Site preference and local geometry of Sc in garnets: Part II. The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join Sample: adr30CaSc70","American Mineralogist","2006","91","","1240","1248","10.2138/am.2006.2038","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010067","12.2273","","12.2273","","12.2273","","90","","90","","90","","1828.06","","","","","","","","","","","","Synthetic","5","I a -3 d","-I 4bd 2c 3","230","","","","- Ca3 Fe0.26 O12 Sc1.74 Si3 -","- Ca3 Fe0.26 O12 Sc1.74 Si3 -","- Ca24 Fe2.08 O96 Sc13.92 Si24 -","8","0.0833333","","Quartieri, S.; Oberti, R.; Boiocchi, M.; Dalconi, M. C.; Boscherini, F.; Safonova, O.; Woodland, A. B.","Site preference and local geometry of Sc in garnets: Part II. The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join Sample: adr10CaSc90","American Mineralogist","2006","91","","1240","1248","10.2138/am.2006.2038","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010068","12.25","","12.25","","12.25","","90","","90","","90","","1838.27","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Eringaite","- Ca3 O12 Sc2 Si3 -","- Ca3 O12 Sc2 Si3 -","- Ca24 O96 Sc16 Si24 -","8","0.0833333","","Quartieri, S.; Oberti, R.; Boiocchi, M.; Dalconi, M. C.; Boscherini, F.; Safonova, O.; Woodland, A. B.","Site preference and local geometry of Sc in garnets: Part II. The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join Sample: CaSc100","American Mineralogist","2006","91","","1240","1248","10.2138/am.2006.2038","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010069","16.552","","10.0529","","24.6477","","90","","106.509","","90","","3932.19","","","","","","","","","","","","","12","C 1 c 1","C -2yc","9","","","Arrojadite-(KNa)","- Al Ca0.91 F0.03 Fe9.18 H2.97 K0.83 Mg2.8 Mn1.02 Na5.01 O50 P12 Sr0.01 -","- Al Ca0.91 F0.03 Fe9.18 H2.97 K0.83 Mg2.8 Mn1.02 Na5.01 O49.97 P12 Sr0.01 -","- Al4 Ca3.64 F0.12 Fe36.72 H11.88 K3.32 Mg11.2 Mn4.08 Na20.04 O199.88 P48 Sr0.04 -","4","1","","Camara, F.; Oberti, R.; Chopin, C.; Medenbach, O.","The arrojadite enigma: I. A new formula and a new model for the arrojadite structure Sample: Rapid Creek, Yukon, Canada","American Mineralogist","2006","91","","1249","1259","10.2138/am.2006.2189","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9010070","16.3992","","9.94","","24.4434","","90","","105.489","","90","","3839.76","","","","","","","","","","","","","14","C 1 c 1","C -2yc","9","","","Arrojadite-(SrFe)","- Al Ba0.2 Ca0.59 F0.9 Fe6.61 H2.1 K0.03 Mg3.6 Mn3.39 Na2.94 O49.1 P12 Pb0.03 Sr0.93 -","- Al Ba0.2 Ca0.59 F0.9 Fe6.61 H2.1 K0.03 Mg3.6 Mn3.39 Na2.94 O49.1 P12 Pb0.03 Sr0.93 -","- Al4 Ba0.8 Ca2.36 F3.6 Fe26.44 H8.4 K0.12 Mg14.4 Mn13.56 Na11.76 O196.4 P48 Pb0.12 Sr3.72 -","4","1","","Camara, F.; Oberti, R.; Chopin, C.; Medenbach, O.","The arrojadite enigma: I. A new formula and a new model for the arrojadite structure Sample: Horrsjoberg, Varmland, Sweden","American Mineralogist","2006","91","","1249","1259","10.2138/am.2006.2189","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9010071","16.69","","10.1013","","24.8752","","90","","105.616","","90","","4038.93","","","","","","","","","","","","","14","C 1 c 1","C -2yc","9","","","Dickinsonite-(KMnNa)","- Al Ba0.01 Ca0.51 F0.03 Fe3.8 H1.97 K0.5 Li0.3 Mn9.7 Na4.92 O50 P12 Pb0.01 Sr0.05 -","- Al Ba0.01 Ca0.51 F0.03 Fe3.8 H1.97 K0.5 Li0.3 Mn9.7 Na4.92 O49.97 P12 Pb0.01 Sr0.05 -","- Al4 Ba0.04 Ca2.04 F0.12 Fe15.2 H7.88 K2 Li1.2 Mn38.8 Na19.68 O199.88 P48 Pb0.04 Sr0.2 -","4","1","","Camara, F.; Oberti, R.; Chopin, C.; Medenbach, O.","The arrojadite enigma: I. A new formula and a new model for the arrojadite structure Sample: Branchville, Connecticut, USA","American Mineralogist","2006","91","","1249","1259","10.2138/am.2006.2189","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9010072","9.845","","9.0293","","5.245","","90","","104.775","","90","","450.83","","","","298","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Hd21, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010073","9.8395","","9.0177","","5.2425","","90","","104.724","","90","","449.89","","","","200","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Hd21, T = 200 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010074","9.8357","","9.0078","","5.2408","","90","","104.664","","90","","449.2","","","","100","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Hd21, T = 100K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010075","9.8354","","9.0108","","5.256","","90","","105.088","","90","","449.754","","","","298","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.949 Fe Na0.051 O6 Si2 -","- Ca0.949 Fe Na0.051 O6 Si2 -","- Ca3.796 Fe4 Na0.204 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae051, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010076","9.8248","","8.9973","","5.2549","","90","","105.013","","90","","448.66","","","","298","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.904 Fe Na0.096 O6 Si2 -","- Ca0.904 Fe Na0.096 O6 Si2 -","- Ca3.616 Fe4 Na0.384 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Hd102m, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010077","9.8067","","8.9852","","5.2886","","90","","105.356","","90","","449.369","","","","298","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.85 Fe Na0.15 O6 Si2 -","- Ca0.85 Fe Na0.15 O6 Si2 -","- Ca3.4 Fe4 Na0.6 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae151, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010078","9.7929","","8.9656","","5.2696","","90","","105.496","","90","","445.848","","","","298","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.758 Fe Na0.242 O6 Si2 -","- Ca0.758 Fe Na0.242 O6 Si2 -","- Ca3.032 Fe4 Na0.968 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae201, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010079","9.7938","","8.9685","","5.2632","","90","","105.52","","90","","445.44","","","","298","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.742 Fe Na0.258 O6 Si2 -","- Ca0.742 Fe Na0.258 O6 Si2 -","- Ca2.968 Fe4 Na1.032 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae251, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010080","9.756","","8.9252","","5.2739","","90","","106.031","","90","","441.363","","","","298","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.615 Fe Na0.385 O6 Si2 -","- Ca0.615 Fe Na0.385 O6 Si2 -","- Ca2.46 Fe4 Na1.54 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae401, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010081","9.7428","","8.9091","","5.275","","90","","106.126","","90","","439.852","","","","298","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.55 Fe Na0.45 O6 Si2 -","- Ca0.55 Fe Na0.45 O6 Si2 -","- Ca2.2 Fe4 Na1.8 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae451, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010082","9.7412","","8.9086","","5.2776","","90","","106.221","","90","","439.76","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.506 Fe Na0.494 O6 Si2 -","- Ca0.506 Fe Na0.494 O6 Si2 -","- Ca2.024 Fe4 Na1.976 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae503","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010083","9.7412","","8.9086","","5.2776","","90","","106.221","","90","","439.76","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Ca0.488 Fe Na0.512 O6 Si2 -","- Ca0.488 Fe Na0.512 O6 Si2 -","- Ca1.952 Fe4 Na2.048 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae504","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010084","9.7361","","8.902","","5.2733","","90","","106.099","","90","","439.118","","","","200","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.503 Fe Na0.497 O6 Si2 -","- Ca0.503 Fe Na0.497 O6 Si2 -","- Ca2.012 Fe4 Na1.988 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae504, T = 200 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010085","9.7266","","8.8959","","5.2691","","90","","106.067","","90","","438.11","","","","90","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.501 Fe Na0.499 O6 Si2 -","- Ca0.501 Fe Na0.499 O6 Si2 -","- Ca2.004 Fe4 Na1.996 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae504, T = 90 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010086","10","","9","","5","","90","","106","","90","","432.568","","","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Ca0.45 Fe Na0.55 O6 Si2 -","- Ca0.45 Fe Na0.55 O6 Si2 -","- Ca1.8 Fe4 Na2.2 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae551, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010087","9.7176","","8.8792","","5.2828","","90","","106.53","","90","","436.985","","","","298","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Ca0.396 Fe Na0.604 O6 Si2 -","- Ca0.396 Fe Na0.604 O6 Si2 -","- Ca1.584 Fe4 Na2.416 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae601, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010088","9.6993","","8.8579","","5.2813","","90","","106.637","","90","","434.75","","","","298","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Ca0.289 Fe Na0.711 O6 Si2 -","- Ca0.289 Fe Na0.711 O6 Si2 -","- Ca1.156 Fe4 Na2.844 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae701, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010089","9.6953","","8.8491","","5.2856","","90","","106.778","","90","","434.172","","","","298","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Ca0.249 Fe Na0.751 O6 Si2 -","- Ca0.249 Fe Na0.751 O6 Si2 -","- Ca0.996 Fe4 Na3.004 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae751, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010090","9.6804","","8.8337","","5.2831","","90","","106.877","","90","","432.32","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Ca0.175 Fe Na0.825 O6 Si2 -","- Ca0.175 Fe Na0.825 O6 Si2 -","- Ca0.7 Fe4 Na3.3 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae801","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010091","9.6654","","8.8184","","5.2805","","90","","106.976","","90","","430.464","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Ca0.149 Fe Na0.851 O6 Si2 -","- Ca0.149 Fe Na0.851 O6 Si2 -","- Ca0.596 Fe4 Na3.404 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae851","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010092","9.6666","","8.8099","","5.2916","","90","","107.195","","90","","430.5","","","","298","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Ca0.102 Fe Na0.898 O6 Si2 -","- Ca0.102 Fe Na0.898 O6 Si2 -","- Ca0.408 Fe4 Na3.592 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae901, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010093","9.6554","","8.7998","","5.29","","90","","107.304","","90","","429.125","","","","298","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Ca0.049 Fe Na0.951 O6 Si2 -","- Ca0.049 Fe Na0.951 O6 Si2 -","- Ca0.196 Fe4 Na3.804 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Ae951, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010094","9.6554","","8.7952","","5.2942","","90","","107.396","","90","","429.026","","","","298","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Fe Na O6 Si2 -","- Fe Na O6 Si2 -","- Fe4 Na4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: nahp22, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010095","9.6554","","8.7952","","5.2942","","90","","107.396","","90","","429.026","","","","298","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Fe Na O6 Si2 -","- Fe Na O6 Si2 -","- Fe4 Na4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Roth, G.; Tippelt, G.; Lottermoser, W.","Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution Locality: synthetic Sample: Nahp22a, T = 298 K","American Mineralogist","2006","91","","1271","1292","10.2138/am.2006.2173","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010096","9.958","","9.311","","8.867","","90","","102.57","","90","","802.433","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","Bonazziite","- As S -","- As S -","- As16 S16 -","16","2","","Bonazzi, P.; Bindi, L.; Pratesi, G.; Menchetti, S.","Light-induced changes in molecular arsenic sulfides: State of the art and new evidence by single-crystal X-ray diffraction Sample: B2-0, beta-As4S4","American Mineralogist","2006","91","","1323","1330","10.2138/am.2006.2165","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010097","9.881","","9.397","","8.93","","90","","101.64","","90","","812.114","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","Bonazziite","- As2 S2.085 -","- As2 S2.085 -","- As16 S16.68 -","8","1","","Bonazzi, P.; Bindi, L.; Pratesi, G.; Menchetti, S.","Light-induced changes in molecular arsenic sulfides: State of the art and new evidence by single-crystal X-ray diffraction Sample: B2-600, light exposure for t = 600 minutes Note: beta-As4S4 - alacranite series","American Mineralogist","2006","91","","1323","1330","10.2138/am.2006.2165","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010098","9.831","","9.444","","8.986","","90","","101.36","","90","","817.951","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","Bonazziite","- As2 S2.11 -","- As2 S2.11 -","- As16 S16.88 -","8","1","","Bonazzi, P.; Bindi, L.; Pratesi, G.; Menchetti, S.","Light-induced changes in molecular arsenic sulfides: State of the art and new evidence by single-crystal X-ray diffraction Sample: B2-840, light exposure for t = 840 minutes Note: beta-As4S4 - alacranite series","American Mineralogist","2006","91","","1323","1330","10.2138/am.2006.2165","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010099","9.963","","9.323","","8.962","","90","","102.41","","90","","812.986","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","Bonazziite","- As2 S2.066 -","- As2 S2.0655 -","- As16 S16.524 -","8","1","","Bonazzi, P.; Bindi, L.; Pratesi, G.; Menchetti, S.","Light-induced changes in molecular arsenic sulfides: State of the art and new evidence by single-crystal X-ray diffraction Sample: ALA16-0 Note: beta-As4S4 - alacranite series","American Mineralogist","2006","91","","1323","1330","10.2138/am.2006.2165","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010100","9.862","","9.438","","9.078","","90","","101.25","","90","","828.722","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","Bonazziite","- As2 S2.155 -","- As2 S2.155 -","- As16 S17.24 -","8","1","","Bonazzi, P.; Bindi, L.; Pratesi, G.; Menchetti, S.","Light-induced changes in molecular arsenic sulfides: State of the art and new evidence by single-crystal X-ray diffraction Sample: ALA16-1800, light exposure for t = 1800 minutes Note: beta-As4S4 - alacranite series","American Mineralogist","2006","91","","1323","1330","10.2138/am.2006.2165","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010101","9.885","","9.446","","9.118","","90","","101.32","","90","","834.819","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","Bonazziite","- As2 S2.19 -","- As2 S2.19 -","- As16 S17.52 -","8","1","","Bonazzi, P.; Bindi, L.; Pratesi, G.; Menchetti, S.","Light-induced changes in molecular arsenic sulfides: State of the art and new evidence by single-crystal X-ray diffraction Sample: ALA15-600, light exposure for t = 600 minutes Note: beta-As4S4 - alacranite series","American Mineralogist","2006","91","","1323","1330","10.2138/am.2006.2165","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010102","27.562","","5.5682","","10.4662","","90","","98.074","","90","","1590.33","","","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","Tyrolite","- C0.76 H24.4 As4 Ca2 Cu9 O38 -","- C0.76 H30 As4 Ca2 Cu9 O38 -","- C1.52 H60 As8 Ca4 Cu18 O76 -","2","0.5","","Krivovichev, S. V.; Chernyshov, D. Y.; Dobelin, N.; Armbruster, T.; Kahlenberg, V.; Kaindl, R.; Tessadri, R.; Kaltenhauser, G.","Crystal chemistry and polytypism of tyrolite Sample: Brixlegg, Schwaz, Tyrol, Austria Note: Tyrolite-1M polytype","American Mineralogist","2006","91","","1378","1384","10.2138/am.2006.2040","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010103","54.52","","5.5638","","10.4647","","90","","96.432","","90","","3154.36","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Tyrolite","- As4 Ca2 Cu9 H23.92 O38.42 -","- As4 Ca2 Cu9 H34.84 O38.42 -","- As16 Ca8 Cu36 H139.36 O153.68 -","4","0.5","","Krivovichev, S. V.; Chernyshov, D. Y.; Dobelin, N.; Armbruster, T.; Kahlenberg, V.; Kaindl, R.; Tessadri, R.; Kaltenhauser, G.","Crystal chemistry and polytypism of tyrolite Sample: Brixlegg, Schwaz, Tyrol, Austria Note: Tyrolite-2M polytype","American Mineralogist","2006","91","","1378","1384","10.2138/am.2006.2040","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010104","14.9628","","14.9628","","42.756","","90","","90","","120","","8289.98","","","","","","","","","","","","Larsemann Hills, Prydz Bay, East Antarctica","8","R -3 :H","-R 3","148","","","Stornesite-(Y)","- Ca5.107 Fe11.19 Mg31.81 Na9.282 O144 P36 Y0.677 Yb0.06 -","- Ca5.107 Fe11.19 Mg31.81 Na9.282 O144 P36 Y0.677 Yb0.06 -","- Ca15.321 Fe33.57 Mg95.43 Na27.846 O432 P108 Y2.031 Yb0.18 -","3","0.166667","","Grew, E. S.; Armbruster, T.; Medenbach, O.; Yates, M. G.; Carson, C. J.","Stornesite-(Y), (Y, Ca)Vacancy2Na6(Ca,Na)8(Mg,Fe)43(PO4)36, the first terrestrial Mg-dominant member of the fillowite group, from granulite-facies paragneiss in the Larsemann Hills, Prydz Bay, East Antarctica Note: Isostructural with chladniite","American Mineralogist","2006","91","","1412","1424","10.2138/am.2006.2219","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010105","10.1075","","10.1075","","10.1075","","90","","90","","90","","1032.6","","","","298.15","","","","","","after annealing at 150 C for 1 month","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.75 Ni4.25 S8 -","- Fe4.75 Ni4.25 S8 -","- Fe19 Ni17 S32 -","4","0.0208333","","Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.","A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 25 C after annealing at 150 C for 1 month","American Mineralogist","2006","91","","1442","1447","10.2138/am.2006.2144","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010106","10.2045","","10.2045","","10.2045","","90","","90","","90","","1062.61","","","","498.15","","","","","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.74 Ni4.26 S8 -","- Fe4.74 Ni4.26 S8 -","- Fe18.96 Ni17.04 S32 -","4","0.0208333","","Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.","A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 225 C","American Mineralogist","2006","91","","1442","1447","10.2138/am.2006.2144","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010107","10.2349","","10.2349","","10.2349","","90","","90","","90","","1072.14","","","","573.15","","","","","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.82 Ni4.18 S8 -","- Fe4.82 Ni4.18 S8 -","- Fe19.28 Ni16.72 S32 -","4","0.0208333","","Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.","A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 300 C","American Mineralogist","2006","91","","1442","1447","10.2138/am.2006.2144","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010108","10.1296","","10.1296","","10.1296","","90","","90","","90","","1039.39","","","","298.15","","","","","","annealed at 150 C for t = 2 months","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.64 Ni4.36 S8 -","- Fe4.64 Ni4.36 S8 -","- Fe18.56 Ni17.44 S32 -","4","0.0208333","","Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.","A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 25 C, annealed at 150 C for t = 2 months after high-T expirement","American Mineralogist","2006","91","","1442","1447","10.2138/am.2006.2144","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010109","9.4424","","9.4424","","9.4424","","90","","90","","90","","841.874","","","","298.15","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Violarite","- Fe0.95 Ni2.05 S4 -","- Fe0.95 Ni2.05 S4 -","- Fe7.6 Ni16.4 S32 -","8","0.0416667","","Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.","A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 25 C","American Mineralogist","2006","91","","1442","1447","10.2138/am.2006.2144","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010110","9.4452","","9.4452","","9.4452","","90","","90","","90","","842.623","","","","348.15","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Violarite","- Fe1.03 Ni1.97 S4 -","- Fe1.03 Ni1.97 S4 -","- Fe8.24 Ni15.76 S32 -","8","0.0416667","","Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.","A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 75 C","American Mineralogist","2006","91","","1442","1447","10.2138/am.2006.2144","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010111","9.4612","","9.4612","","9.4612","","90","","90","","90","","846.913","","","","423.15","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Violarite","- Fe0.84 Ni2.16 S4 -","- Fe0.84 Ni2.16 S4 -","- Fe6.72 Ni17.28 S32 -","8","0.0416667","","Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.","A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 150 C","American Mineralogist","2006","91","","1442","1447","10.2138/am.2006.2144","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010112","9.4709","","9.4709","","9.4709","","90","","90","","90","","849.52","","","","498.15","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Violarite","- Fe0.99 Ni2.01 S4 -","- Fe0.99 Ni2.01 S4 -","- Fe7.92 Ni16.08 S32 -","8","0.0416667","","Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.","A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 225 C","American Mineralogist","2006","91","","1442","1447","10.2138/am.2006.2144","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010113","9.4847","","9.4847","","9.4847","","90","","90","","90","","853.239","","","","573.15","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Violarite","- Fe0.83 Ni2.17 S4 -","- Fe0.83 Ni2.17 S4 -","- Fe6.64 Ni17.36 S32 -","8","0.0416667","","Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.","A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 300 C","American Mineralogist","2006","91","","1442","1447","10.2138/am.2006.2144","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010114","9.4498","","9.4498","","9.4498","","90","","90","","90","","843.855","","","","298.15","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Violarite","- Fe1.13 Ni1.87 S4 -","- Fe1.13 Ni1.87 S4 -","- Fe9.04 Ni14.96 S32 -","8","0.0416667","","Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.","A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 25 C","American Mineralogist","2006","91","","1442","1447","10.2138/am.2006.2144","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010115","9.4318","","9.4318","","9.4318","","90","","90","","90","","839.042","","","","200.15","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Violarite","- Fe1.19 Ni1.81 S4 -","- Fe1.19 Ni1.81 S4 -","- Fe9.52 Ni14.48 S32 -","8","0.0416667","","Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.","A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = -73 C","American Mineralogist","2006","91","","1442","1447","10.2138/am.2006.2144","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010116","9.4211","","9.4211","","9.4211","","90","","90","","90","","836.19","","","","100.15","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Violarite","- Fe1.2 Ni1.8 S4 -","- Fe1.2 Ni1.8 S4 -","- Fe9.6 Ni14.4 S32 -","8","0.0416667","","Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.","A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = -173 C","American Mineralogist","2006","91","","1442","1447","10.2138/am.2006.2144","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010117","10.2909","","10.2909","","36.8746","","90","","90","","120","","3381.93","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","Merrillite","- Ca9 Fe0.2 Mg0.8 Na0.23 O28 P6.24 -","- Ca9 Fe0.2 Mg0.8 Na0.23 O28 P6.24 -","- Ca54 Fe1.2 Mg4.8 Na1.38 O168 P37.44 -","6","0.333333","","Hughes, J. M.; Jolliff, B. L.; Gunter, M. E.","The atomic arrangement of merrillite from the Fra Mauro Formation, Apollo 14 lunar mission: The first structure of merrillite from the Moon","American Mineralogist","2006","91","","1547","1552","10.2138/am.2006.2021","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010118","4.8904","","5.2022","","7.1403","","90","","90","","90","","181.655","","","","","","","","27000000","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Neighborite","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.5","","Martin, C. D.; Crichton, W. A.; Liu, H.; Prakapenka, V.; Chen, J.; Parise, J. B.","Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (neighborite) at high pressures Sample: (a), P = 27 GPa","American Mineralogist","2006","91","","1703","1706","10.2138/am.2006.2308","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010119","2.7145","","8.393","","6.8512","","90","","90","","90","","156.09","","","","","","","","54000000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.25","","Martin, C. D.; Crichton, W. A.; Liu, H.; Prakapenka, V.; Chen, J.; Parise, J. B.","Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (neighborite) at high pressures Sample: (b), P = 54 GPa","American Mineralogist","2006","91","","1703","1706","10.2138/am.2006.2308","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010120","2.7164","","8.381","","6.8487","","90","","90","","90","","155.919","","","","","","","","54000000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.25","","Martin, C. D.; Crichton, W. A.; Liu, H.; Prakapenka, V.; Chen, J.; Parise, J. B.","Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (neighborite) at high pressures Sample: (c), P = 54 GPa","American Mineralogist","2006","91","","1703","1706","10.2138/am.2006.2308","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010121","2.7143","","8.393","","6.846","","90","","90","","90","","155.96","","","","","","","","54000000","","","","Synthetic","3","C m c 21","C 2c -2","36","","","","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.5","","Martin, C. D.; Crichton, W. A.; Liu, H.; Prakapenka, V.; Chen, J.; Parise, J. B.","Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (neighborite) at high pressures Sample: (d), P = 54 GPa","American Mineralogist","2006","91","","1703","1706","10.2138/am.2006.2308","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010122","4.6601","","8.826","","8.3778","","90","","90","","90","","344.579","","","","298","","","","","","","","Ouro Preto, Minas Gerias, Brazil","4","P b n m","-P 2c 2ab","62","","","Topaz","- Al2 F2 O4 Si -","- Al2 F2 O4 Si -","- Al8 F8 O16 Si4 -","4","0.5","","Diego Gatta, G.; Nestola, F.; Bromiley, G. D.; Loose, A.","New insight into crystal chemistry of topaz: a multi-methodological study Sample: X-ray refinement at T = 298 K Note: x(F4) corrected","American Mineralogist","2006","91","","1839","1846","10.2138/am.2006.2223","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010123","4.667","","8.834","","8.395","","90","","90","","90","","346.111","","","","298","","","","","","","","Ouro Preto, Minas Gerias, Brazil","5","P b n m","-P 2c 2ab","62","","","Topaz","- Al2 F1.56 H0.44 O4.44 Si -","- Al2 F1.56 H0.44 O4.44 Si -","- Al8 F6.24 H1.76 O17.76 Si4 -","4","0.5","","Diego Gatta, G.; Nestola, F.; Bromiley, G. D.; Loose, A.","New insight into crystal chemistry of topaz: a multi-methodological study Sample: Neutron refinement at T = 298 K","American Mineralogist","2006","91","","1839","1846","10.2138/am.2006.2223","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010124","4.657","","8.838","","8.426","","90","","90","","90","","346.802","","","","10","","","","","","","","Ouro Preto, Minas Gerias, Brazil","5","P b n m","-P 2c 2ab","62","","","Topaz","- Al2 F1.58 H0.42 O4.42 Si -","- Al2 F1.58 H0.42 O4.42 Si -","- Al8 F6.32 H1.68 O17.68 Si4 -","4","0.5","","Diego Gatta, G.; Nestola, F.; Bromiley, G. D.; Loose, A.","New insight into crystal chemistry of topaz: a multi-methodological study Sample: Neutron refinement at T = 10 K","American Mineralogist","2006","91","","1839","1846","10.2138/am.2006.2223","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010125","15.8322","","15.8322","","7.1034","","90","","90","","120","","1541.98","","","","","","","","","","","","Anjanabonoina, Madagascar","10","R 3 m :H","R 3 -2""","160","","","Liddocoatite","- Al7.41 B3.12 Ca0.57 F0.76 H3.24 Li1.32 Mn0.06 Na0.29 O30.24 Si5.88 -","- Al7.41 B3.12 Ca0.57 F0.76 H3.24 Li1.32 Mn0.06 Na0.29 O30.24 Si5.88 -","- Al22.23 B9.36 Ca1.71 F2.28 H9.72 Li3.96 Mn0.18 Na0.87 O90.72 Si17.64 -","3","0.166667","","Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H.","Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LID3NEW","American Mineralogist","2006","91","","1847","1856","10.2138/am.2006.2245","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010126","15.8204","","15.8204","","7.0955","","90","","90","","120","","1537.97","","","","","","","","","","","","Anjanabonoina, Madagascar","11","R 3 m :H","R 3 -2""","160","","","Liddocoatite","- Al7.56 B3.24 Ca0.5 F0.56 Fe0.06 H3.441 Li1.14 Mn0.03 Na0.34 O30.44 Si5.76 -","- Al7.56 B3.24 Ca0.5 F0.56 Fe0.06 H3.441 Li1.14 Mn0.03 Na0.34 O30.44 Si5.76 -","- Al22.68 B9.72 Ca1.5 F1.68 Fe0.18 H10.323 Li3.42 Mn0.09 Na1.02 O91.32 Si17.28 -","3","0.166667","","Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H.","Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LID6A1","American Mineralogist","2006","91","","1847","1856","10.2138/am.2006.2245","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010127","15.8119","","15.8119","","7.0925","","90","","90","","120","","1535.67","","","","","","","","","","","","Anjanabonoina, Madagascar","11","R 3 m :H","R 3 -2""","160","","","Liddocoatite","- Al7.62 B3.3 Ca0.41 F0.51 Fe0.03 H3.489 Li1.08 Mn0.03 Na0.41 O30.49 Si5.7 -","- Al7.62 B3.3 Ca0.41 F0.51 Fe0.03 H3.489 Li1.08 Mn0.03 Na0.41 O30.49 Si5.7 -","- Al22.86 B9.9 Ca1.23 F1.53 Fe0.09 H10.467 Li3.24 Mn0.09 Na1.23 O91.47 Si17.1 -","3","0.166667","","Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H.","Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LID52","American Mineralogist","2006","91","","1847","1856","10.2138/am.2006.2245","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010128","15.8095","","15.8095","","7.0941","","90","","90","","120","","1535.55","","","","","","","","","","","","Anjanabonoina, Madagascar","9","R 3 m :H","R 3 -2""","160","","","Liddocoatite","- Al7.83 B3.42 Ca0.3 F0.5 H3.501 Li0.9 Na0.46 O30.5 Si5.58 -","- Al7.83 B3.42 Ca0.3 F0.5 H3.501 Li0.9 Na0.46 O30.5 Si5.58 -","- Al23.49 B10.26 Ca0.9 F1.5 H10.503 Li2.7 Na1.38 O91.5 Si16.74 -","3","0.166667","","Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H.","Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LC1","American Mineralogist","2006","91","","1847","1856","10.2138/am.2006.2245","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010129","5.327","","9.233","","14.381","","90.2","","97.2","","89.97","","701.736","","","","","","","","100","","","","Alpe Reguzzolo, Val Malenco, Italy","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Clinochlore","- Al1.84 Fe0.5 H8 Mg4.5 O18 Si3.16 -","- Al1.84 Fe0.5 H8 Mg4.5 O18 Si3.16 -","- Al3.68 Fe H16 Mg9 O36 Si6.32 -","2","","","Zanazzi, P. F.; Montagnoli, M.; Nazzareni, S.; Comodi, P.","Structural effects of pressure on chlorite: A single-crystal study Sample: P = .0001 GPa","American Mineralogist","2006","91","","1871","1878","10.2138/am.2006.2191","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010130","5.298","","9.183","","14.23","","90.22","","97.21","","89.95","","686.832","","","","","","","","1830000","","","","Alpe Reguzzolo, Val Malenco, Italy","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Clinochlore","- Al1.84 Fe0.5 H8 Mg4.5 O18 Si3.16 -","- Al1.84 Fe0.5 H8 Mg4.5 O18 Si3.16 -","- Al3.68 Fe H16 Mg9 O36 Si6.32 -","2","","","Zanazzi, P. F.; Montagnoli, M.; Nazzareni, S.; Comodi, P.","Structural effects of pressure on chlorite: A single-crystal study Sample: P = 1.83 GPa","American Mineralogist","2006","91","","1871","1878","10.2138/am.2006.2191","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010131","5.28","","9.147","","14.15","","90.2","","97.2","","89.92","","677.997","","","","","","","","3140000","","","","Alpe Reguzzolo, Val Malenco, Italy","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Clinochlore","- Al1.84 Fe0.5 H8 Mg4.5 O18 Si3.16 -","- Al1.84 Fe0.5 H8 Mg4.5 O18 Si3.16 -","- Al3.68 Fe H16 Mg9 O36 Si6.32 -","2","","","Zanazzi, P. F.; Montagnoli, M.; Nazzareni, S.; Comodi, P.","Structural effects of pressure on chlorite: A single-crystal study Sample: P = 3.14 GPa","American Mineralogist","2006","91","","1871","1878","10.2138/am.2006.2191","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010132","5.2618","","9.114","","14.106","","90.12","","97.2","","89.97","","671.132","","","","","","","","4250000","","","","Alpe Reguzzolo, Val Malenco, Italy","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Clinochlore","- Al1.84 Fe0.5 H8 Mg4.5 O18 Si3.16 -","- Al1.84 Fe0.5 H8 Mg4.5 O18 Si3.16 -","- Al3.68 Fe H16 Mg9 O36 Si6.32 -","2","","","Zanazzi, P. F.; Montagnoli, M.; Nazzareni, S.; Comodi, P.","Structural effects of pressure on chlorite: A single-crystal study Sample: P = 4.25 GPa","American Mineralogist","2006","91","","1871","1878","10.2138/am.2006.2191","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010133","5.252","","9.106","","14.11","","90.1","","97.3","","89.93","","669.336","","","","","","","","4850000","","","","Alpe Reguzzolo, Val Malenco, Italy","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Clinochlore","- Al5 Fe0.5 H8 Mg4.5 O18 Si4 -","- Al5 Fe0.5 H8 Mg4.5 O18 Si4 -","- Al10 Fe H16 Mg9 O36 Si8 -","2","","","Zanazzi, P. F.; Montagnoli, M.; Nazzareni, S.; Comodi, P.","Structural effects of pressure on chlorite: A single-crystal study Sample: P = 4.85 GPa","American Mineralogist","2006","91","","1871","1878","10.2138/am.2006.2191","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010134","9.857","","9.857","","7.13","","90","","90","","120","","599.943","","","","","","","","","","","","Capitana mine, Copiapo, Atacama Province, Chile","6","P 63/m","-P 6c","176","","","Phosphohedyphane","- As0.279 Ca1.838 Cl O12 P2.721 Pb3.162 -","- As0.279 Ca1.838 Cl O12 P2.721 Pb3.162 -","- As0.558 Ca3.676 Cl2 O24 P5.442 Pb6.324 -","2","0.166667","","Kampf, A. R.; Steele, I. M.; Jenkins, R. A.","Phosphohedyphane, Ca2Pb3(PO4)3Cl, the phosphate analogue of hedyphane: Description and crystal structure","American Mineralogist","2006","91","","1909","1917","10.2138/am.2006.2268","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010135","11.0116","","13.1149","","5.59485","","90","","90","","90","","807.986","","","","","","","","","","","","","4","A m a m","-A 2 2a","63","","","","- Cl2 Mo O5 Pb3 -","- Cl2 Mo O5 Pb3 -","- Cl8 Mo4 O20 Pb12 -","4","0.25","","Charkin, D. O.; Lightfoot, P.","Synthesis of novel lead - molybdenum and tungsten oxyhalides with the pinalite structure, Pb3MoO5Cl2 and Pb3WO5Br2","American Mineralogist","2006","91","","1918","1921","10.2138/am.2006.2158","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010136","9.496","","9.496","","6.92","","90","","90","","120","","540.403","","","","","","","","","","","","","8","P 63/m","-P 6c","176","","","Hydroxylellestadite","- Ca5 Cl0.07 F0.09 H0.82 O12.82 P0.66 S1.08 Si1.26 -","- Ca5 Cl0.07 F0.09 O12.82 P0.66 S1.08 Si1.26 -","- Ca10 Cl0.14 F0.18 O25.64 P1.32 S2.16 Si2.52 -","2","0.166667","","Onac, B. P.; Effenberger, H.; Ettinger, K.; Panzaru, S. P.","Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical, structural, and vibrational spectroscopy data Locality: Cioclovina Cave, Sureanu Mountains, Romania","American Mineralogist","2006","91","","1927","1931","10.2138/am.2006.2143","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010138","25.075","","5.047","","13.437","","90","","110.97","","90","","1587.87","","","","120","","","","","","","","Gentil mine, Mendes Pimentel, Minas Gerais, Brazil","7","C 1 2/c 1","-C 2yc","15","","","Matioliite","- Al5 Fe0.1 H10 Mg0.9 Na O24 P4 -","- Al5 Fe0.1 H10 Mg0.9 Na O24 P4 -","- Al20 Fe0.4 H40 Mg3.6 Na4 O96 P16 -","4","0.5","","Atencio, D.; Coutinho, J. M. V.; Mascarenhas, Y. P.; Ellena, J. A.","Matioliite, the Mg-analogue of burangaite, from Gentil mine, Mendes Pimentel, Minas Gerais, Brazil, and other occurrences Locality: Gentil mine, Mendes Pimentel, Minas Gerais, Brazil Sample: T = 120 K","American Mineralogist","2006","91","","1932","1936","10.2138/am.2006.2233","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010570","4.0044","","11.198","","11.4795","","90","","90","","90","","514.755","","","","","","","","","","","","Synthetic","4","P m c n","-P 2n 2a","62","","","Gladite","- Bi1.662 Cu0.33 Pb0.338 S3 -","- Bi1.662 Cu0.33 Pb0.338 S3 -","- Bi6.648 Cu1.32 Pb1.352 S12 -","4","0.5","","Petricek, V.; Makovicky, E.","Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic","The Canadian Mineralogist","2006","44","","189","206","10.2113/gscanmin.44.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010571","4.01","","11.1963","","11.502","","90","","90","","90","","516.407","","","","","","","","","","","","Synthetic","4","P m c n","-P 2n 2a","62","","","Gladite","- Bi1.602 Cu0.388 Pb0.398 S3 -","- Bi1.6025 Cu0.388 Pb0.3975 S3 -","- Bi6.41 Cu1.552 Pb1.59 S12 -","4","0.5","","Petricek, V.; Makovicky, E.","Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic Sample: oversubstituted gladite","The Canadian Mineralogist","2006","44","","189","206","10.2113/gscanmin.44.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010572","4.0074","","11.2031","","11.5133","","90","","90","","90","","516.893","","","","","","","","","","","","Synthetic","4","P m c n","-P 2n 2a","62","","","Salzburgite","- Bi1.595 Cu0.4 Pb0.405 S3 -","- Bi1.595 Cu0.4 Pb0.405 S3 -","- Bi6.38 Cu1.6 Pb1.62 S12 -","4","0.5","","Petricek, V.; Makovicky, E.","Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic","The Canadian Mineralogist","2006","44","","189","206","10.2113/gscanmin.44.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010573","4.007","","11.1996","","11.5123","","90","","90","","90","","516.635","","","","","","","","","","","","Synthetic","4","P m c n","-P 2n 2a","62","","","Paarite","- Bi1.575 Cu0.415 Pb0.425 S3 -","- Bi1.575 Cu0.415 Pb0.425 S3 -","- Bi6.3 Cu1.66 Pb1.7 S12 -","4","0.5","","Petricek, V.; Makovicky, E.","Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic","The Canadian Mineralogist","2006","44","","189","206","10.2113/gscanmin.44.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010574","4.0145","","11.2023","","11.5604","","90","","90","","90","","519.89","","","","","","","","","","","","Synthetic","4","P m c n","-P 2n 2a","62","","","Krupkaite","- Bi1.5 Cu0.5 Pb0.5 S3 -","- Bi1.5 Cu0.5 Pb0.5 S3 -","- Bi6 Cu2 Pb2 S12 -","4","0.5","","Petricek, V.; Makovicky, E.","Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic","The Canadian Mineralogist","2006","44","","189","206","10.2113/gscanmin.44.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010575","10.097","","10.097","","13.991","","90","","90","","120","","1235.28","","","","","","","","","","","","Heftetjern pegmatite, Tordal, Norway","10","P 6/m c c","-P 6 2c","192","","","Oftedalite","- Al0.141 Be2.859 Ca1.03 Fe0.03 K Mn0.09 O30 Sc0.84 Si12 Y0.01 -","- Al0.141 Be2.859 Ca1.03 Fe0.03 K Mn0.09 O30 Sc0.84 Si12 Y0.01 -","- Al0.282 Be5.718 Ca2.06 Fe0.06 K2 Mn0.18 O60 Sc1.68 Si24 Y0.02 -","2","0.0833333","","Cooper, M. A.; Hawthorne, F. C.; Ball, N. A.; Cerny, P.; Kristiansen, R.","Oftedalite, (Sc,Ca,Mn2+)2 K (Be,Al)3 Si12 O30, a new member of the milarite group from the Heftetjern pegmatite, Tordal, Norway: description and crystal structure","The Canadian Mineralogist","2006","44","","943","949","10.2113/gscanmin.44.4.943","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010576","7.0538","","7.0538","","17.2746","","90","","90","","120","","744.363","","","","","","","","","","","","Rapid Creek area, Yukon Territory, Canada","5","R -3 m :H","-R 3 2""","166","","","Gorceixite","- Al3 Ba0.882 H7 O14 P2 -","- Al3 Ba0.882 H7 O14 P2 -","- Al9 Ba2.646 H21 O42 P6 -","3","0.0833333","","Dzikowski, T. J.; Groat, L. A.; Jambor, J. L.","The symmetry and crystal structure of gorceixite, BaAl3[PO3(O,OH)]2(OH)6, a member of the alunite supergroup","The Canadian Mineralogist","2006","44","","951","958","10.2113/gscanmin.44.4.951","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010577","7.0815","","8.7175","","6.575","","90","","113.853","","90","","371.225","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca0.9 Na0.1 Nb0.1 O5 Si Ti0.9 -","- Ca0.9 Na0.1 Nb0.1 O5 Si Ti0.9 -","- Ca3.6 Na0.4 Nb0.4 O20 Si4 Ti3.6 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Solid solutions of niobium in synthetic titanite Sample: NaNb1","The Canadian Mineralogist","2006","44","","1089","1097","10.2113/gscanmin.44.5.1089","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010578","7.0952","","8.7172","","6.5824","","90","","113.982","","90","","371.978","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca0.8 Na0.2 Nb0.2 O5 Si Ti0.8 -","- Ca0.8 Na0.2 Nb0.2 O5 Si Ti0.8 -","- Ca3.2 Na0.8 Nb0.8 O20 Si4 Ti3.2 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Solid solutions of niobium in synthetic titanite Sample: NaNb2","The Canadian Mineralogist","2006","44","","1089","1097","10.2113/gscanmin.44.5.1089","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010579","7.0571","","8.7169","","6.563","","90","","113.756","","90","","369.521","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.1 Ca Nb0.1 O5 Si Ti0.8 -","- Al0.1 Ca Nb0.1 O5 Si Ti0.8 -","- Al0.4 Ca4 Nb0.4 O20 Si4 Ti3.2 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Solid solutions of niobium in synthetic titanite Sample: AlNb1","The Canadian Mineralogist","2006","44","","1089","1097","10.2113/gscanmin.44.5.1089","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010580","7.0594","","8.7188","","6.5651","","90","","113.747","","90","","369.866","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.2 Ca Nb0.2 O5 Si Ti0.6 -","- Al0.2 Ca Nb0.2 O5 Si Ti0.6 -","- Al0.8 Ca4 Nb0.8 O20 Si4 Ti2.4 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Solid solutions of niobium in synthetic titanite Sample: AlNb2","The Canadian Mineralogist","2006","44","","1089","1097","10.2113/gscanmin.44.5.1089","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010581","5.1303","","5.1303","","14.2428","","90","","90","","120","","324.647","","","","","","","","","","","","Synthetic","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mg0.1 Mn0.9 O3 Ti -","- Mg0.1 Mn0.9 O3 Ti -","- Mg0.6 Mn5.4 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","The pyrophanite-geikielite solid-solution series: crystal structures of the Mn1-xMgxTiO3 series (0 < x < 0.7) Sample: XMg = 0.1","The Canadian Mineralogist","2006","44","","1099","1107","10.2113/gscanmin.44.5.1099","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010582","5.1234","","5.1234","","14.2054","","90","","90","","120","","322.924","","","","","","","","","","","","Synthetic","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mg0.2 Mn0.8 O3 Ti -","- Mg0.2 Mn0.8 O3 Ti -","- Mg1.2 Mn4.8 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","The pyrophanite-geikielite solid-solution series: crystal structures of the Mn1-xMgxTiO3 series (0 < x < 0.7) Sample: XMg = 0.2","The Canadian Mineralogist","2006","44","","1099","1107","10.2113/gscanmin.44.5.1099","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010583","5.1149","","5.1149","","14.1614","","90","","90","","120","","320.857","","","","","","","","","","","","Synthetic","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mg0.3 Mn0.7 O3 Ti -","- Mg0.3 Mn0.7 O3 Ti -","- Mg1.8 Mn4.2 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","The pyrophanite-geikielite solid-solution series: crystal structures of the Mn1-xMgxTiO3 series (0 < x < 0.7) Sample: XMg = 0.3","The Canadian Mineralogist","2006","44","","1099","1107","10.2113/gscanmin.44.5.1099","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010584","5.1084","","5.1084","","14.1286","","90","","90","","120","","319.3","","","","","","","","","","","","Synthetic","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mg0.4 Mn0.6 O3 Ti -","- Mg0.4 Mn0.6 O3 Ti -","- Mg2.4 Mn3.6 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","The pyrophanite-geikielite solid-solution series: crystal structures of the Mn1-xMgxTiO3 series (0 < x < 0.7) Sample: XMg = 0.4","The Canadian Mineralogist","2006","44","","1099","1107","10.2113/gscanmin.44.5.1099","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010585","5.1007","","5.1007","","14.091","","90","","90","","120","","317.491","","","","","","","","","","","","Synthetic","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mg0.5 Mn0.5 O3 Ti -","- Mg0.5 Mn0.5 O3 Ti -","- Mg3 Mn3 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","The pyrophanite-geikielite solid-solution series: crystal structures of the Mn1-xMgxTiO3 series (0 < x < 0.7) Sample: XMg = 0.5","The Canadian Mineralogist","2006","44","","1099","1107","10.2113/gscanmin.44.5.1099","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010586","5.0921","","5.0921","","14.0532","","90","","90","","120","","315.573","","","","","","","","","","","","Synthetic","4","R -3 :H","-R 3","148","","","Geikielite","- Mg0.6 Mn0.4 O3 Ti -","- Mg0.6 Mn0.4 O3 Ti -","- Mg3.6 Mn2.4 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","The pyrophanite-geikielite solid-solution series: crystal structures of the Mn1-xMgxTiO3 series (0 < x < 0.7) Sample: XMg = 0.6","The Canadian Mineralogist","2006","44","","1099","1107","10.2113/gscanmin.44.5.1099","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010587","5.0567","","5.0567","","13.9034","","90","","90","","120","","307.883","","","","","","","","","","","","Synthetic","3","R -3 :H","-R 3","148","","","Geikielite","- Mg O3 Ti -","- Mg O3 Ti -","- Mg6 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","The pyrophanite-geikielite solid-solution series: crystal structures of the Mn1-xMgxTiO3 series (0 < x < 0.7) Sample: XMg = 1.0 Note: No bond lengths could be reproduced with the reported dataset","The Canadian Mineralogist","2006","44","","1099","1107","10.2113/gscanmin.44.5.1099","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010588","7.242","","7.242","","18.192","","90","","90","","120","","826.282","","","","","","","","","","","","Qaqarssuk, Greenland","5","P -3 c 1","-P 3 2""c","165","","","Qaqarssukite-(Ce)","- C2 Ba Ce F O6 -","- C2 Ba Ce F O6 -","- C12 Ba6 Ce6 F6 O36 -","6","0.5","","Grice, J. D.; Gault, R. A.; Rowe, R.; Johnsen, O.","Qaqarssukite-(Ce), a new barium-cerium fluorcarbonate mineral species from Qaqarssuk, Greenland","The Canadian Mineralogist","2006","44","","1137","1146","10.2113/gscanmin.44.5.1137","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010589","9.982","","8.502","","4.548","","90","","90","","90","","385.975","","","","","","","","","","","","Byrud farm, Eidsvoll, Akershus, South Norway","4","P n m a","-P 2ac 2n","62","","","Byrudite","- Be0.84 O6 Ti1.5 V1.5 -","- Be0.84 O6 Ti1.5 V1.5 -","- Be3.36 O24 Ti6 V6 -","4","0.5","","Raade, G.; Balic-Zunic T","The crystal structure of (Be,_)(V,Ti)3O6, a mineral related to kyzylkumite","The Canadian Mineralogist","2006","44","","1147","1158","10.2113/gscanmin.44.5.1147","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010590","7.152","","9.206","","8.962","","91.84","","98.17","","77.33","","569.858","","","","","","","","","","","","","8","P -1","-P 1","2","","","Ferro-axinite","- Al1.984 B Ca2 Fe0.958 H Mg0.059 O16 Si4 -","- Al1.9837 B Ca2 Fe0.9576 H Mg0.0587 O16 Si4 -","- Al3.9674 B2 Ca4 Fe1.9152 H2 Mg0.1174 O32 Si8 -","2","1","","Filip, J.; Kolitsch, U.; Novak, M.; Schneeweiss, O.","The crystal structure of near-end-member ferroaxinite from an iron-contaminated pegmatite at Malesov, Czech Republic Locality: Malesov, Czech Republic","The Canadian Mineralogist","2006","44","","1159","1170","10.2113/gscanmin.44.5.1159","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010592","9.868","","18.033","","5.273","","90","","104.66","","90","","907.781","","","","","","","","","","","","Bear Lake diggings, Bancroft area of Ontario, Canada","10","C 1 2/m 1","-C 2y","12","","","Tremolite","- Al0.03 Ca1.63 F0.58 Fe0.25 H3.42 Mg4.7 Mn0.02 Na1.18 O23.42 Si8 -","- Al0.03 Ca1.63 F0.58 Fe0.25 H3.42 Mg4.7 Mn0.02 Na1.18 O23.42 Si8 -","- Al0.06 Ca3.26 F1.16 Fe0.5 H6.84 Mg9.4 Mn0.04 Na2.36 O46.84 Si16 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Martin, R. F.","Short-range order in amphiboles from the Bear Lake diggings, Ontario Sample: 757","The Canadian Mineralogist","2006","44","","1171","1179","10.2113/gscanmin.44.5.1171","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010593","9.888","","18.022","","5.29","","90","","104.72","","90","","911.746","","","","","","","","","","","","Bear Lake diggings, Bancroft area of Ontario, Canada","13","C 1 2/m 1","-C 2y","12","","","Tremolite","- Al0.66 Ca1.23 F1.21 Fe1.4 H0.79 K0.3 Li0.02 Mg3.43 Mn0.05 Na1.28 O22.79 Si7.38 Ti0.06 -","- Al0.66 Ca1.23 F1.21 Fe1.4 H0.79 K0.3 Li0.02 Mg3.43 Mn0.05 Na1.28 O22.79 Si7.38 Ti0.06 -","- Al1.32 Ca2.46 F2.42 Fe2.8 H1.58 K0.6 Li0.04 Mg6.86 Mn0.1 Na2.56 O45.58 Si14.76 Ti0.12 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Martin, R. F.","Short-range order in amphiboles from the Bear Lake diggings, Ontario Sample: 721","The Canadian Mineralogist","2006","44","","1171","1179","10.2113/gscanmin.44.5.1171","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010594","9.866","","18.019","","5.274","","90","","104.58","","90","","907.395","","","","","","","","","","","","Bear Lake diggings, Bancroft area of Ontario, Canada","11","C 1 2/m 1","-C 2y","12","","","Magnesiokatophorite","- Al0.11 Ca1.46 F0.71 Fe0.27 H3.29 K0.18 Mg4.71 Mn0.01 Na0.86 O23.29 Si7.9 -","- Al0.11 Ca1.46 F0.71 Fe0.27 H3.29 K0.18 Mg4.71 Mn0.01 Na0.86 O23.29 Si7.9 -","- Al0.22 Ca2.92 F1.42 Fe0.54 H6.58 K0.36 Mg9.42 Mn0.02 Na1.72 O46.58 Si15.8 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Martin, R. F.","Short-range order in amphiboles from the Bear Lake diggings, Ontario Sample: 761","The Canadian Mineralogist","2006","44","","1171","1179","10.2113/gscanmin.44.5.1171","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010595","9.887","","18.023","","5.292","","90","","104.66","","90","","912.3","","","","","","","","","","","","Bear Lake diggings, Bancroft area of Ontario, Canada","13","C 1 2/m 1","-C 2y","12","","","Magnesiokatophorite","- Al0.702 Ca1.18 F1.36 Fe1.5 H0.64 K0.32 Li0.02 Mg3.28 Mn0.05 Na1.33 O22.64 Si7.368 Ti0.08 -","- Al0.702 Ca1.18 F1.36 Fe1.5 H0.64 K0.32 Li0.02 Mg3.28 Mn0.05 Na1.33 O22.64 Si7.368 Ti0.08 -","- Al1.404 Ca2.36 F2.72 Fe3 H1.28 K0.64 Li0.04 Mg6.56 Mn0.1 Na2.66 O45.28 Si14.736 Ti0.16 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Martin, R. F.","Short-range order in amphiboles from the Bear Lake diggings, Ontario Sample: 762","The Canadian Mineralogist","2006","44","","1171","1179","10.2113/gscanmin.44.5.1171","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010596","5.877","","12.957","","5.675","","90","","108","","90","","410.991","","","","","","","","","","","","Harstig mine, Harstigen, Sweden","8","P 1 21/c 1","-P 2ybc","14","","","Brandtite","- As2 Ca1.9 Fe0.01 H4 Mg0.1 Mn0.88 O10 Pb0.1 -","- As2 Ca1.9 Fe0.01 H4 Mg0.1 Mn0.88 O10 Pb0.1 -","- As4 Ca3.8 Fe0.02 H8 Mg0.2 Mn1.76 O20 Pb0.2 -","2","0.5","","Herwig, S.; Hawthorne, F. C.","The topology of hydrogen bonding in brandtite, collinsite and fairfieldite","The Canadian Mineralogist","2006","44","","1181","1196","10.2113/gscanmin.44.5.1181","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010597","5.729","","6.778","","5.444","","97.31","","108.56","","107.25","","185.565","","","","","","","","","","","","Rapid Creek, Yukon Territory, Canada","7","P -1","-P 1","2","","","Collinsite","- Ca2 Fe0.06 H4 Mg0.92 Mn0.01 O10 P2 -","- Ca2 Fe0.06 H4 Mg0.92 Mn0.01 O10 P2 -","- Ca2 Fe0.06 H4 Mg0.92 Mn0.01 O10 P2 -","1","0.5","","Herwig, S.; Hawthorne, F. C.","The topology of hydrogen bonding in brandtite, collinsite and fairfieldite","The Canadian Mineralogist","2006","44","","1181","1196","10.2113/gscanmin.44.5.1181","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010598","5.795","","6.576","","5.496","","102.39","","108.63","","90.29","","193.23","","","","","","","","","","","","Foote mine, North Carolina, USA","7","P -1","-P 1","2","","","Fairfieldite","- Ca2 Fe0.23 H4 Mg0.01 Mn0.73 O10 P2 -","- Ca2 Fe0.23 H4 Mg0.01 Mn0.73 O10 P2 -","- Ca2 Fe0.23 H4 Mg0.01 Mn0.73 O10 P2 -","1","0.5","","Herwig, S.; Hawthorne, F. C.","The topology of hydrogen bonding in brandtite, collinsite and fairfieldite","The Canadian Mineralogist","2006","44","","1181","1196","10.2113/gscanmin.44.5.1181","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010599","12.0941","","30.211","","7.1563","","90","","90","","90","","2614.73","","","","","","","","","","","","Shaba, Democratic Republic of Congo","4","P b n 21","P 2c -2ab","33","","","Billietite","- Ba H22 O30 U6 -","- Ba H22 O30 U6 -","- Ba4 H88 O120 U24 -","4","1","","Finch, R. J.; Burns, P. C.; Hawthorne, F. C.; Ewing, R. C.","Refinement of the crystal structure of billietite, Ba [(UO2)6 O4 (OH)6] (H2O)8","The Canadian Mineralogist","2006","44","5","1197","1205","10.2113/gscanmin.44.5.1197","","","","","","","","","","","","","","","","","","","","","has coordinates","294025","2024-08-07","07:53:38",""
"9010600","7.3926","","18.3806","","7.3361","","93.933","","102.212","","98.9","","957.232","","","","","","","","","","","","","4","P -1","-P 1","2","","","Ferricopiapite (deuterated)","- D42 Fe4.633 O46 S6 -","- D42 Fe4.633 O46 S6 -","- D42 Fe4.633 O46 S6 -","1","0.5","","Majzlan, J.; Kiefer, B.","An X-ray and neutron-diffraction study of synthetic ferricopiapite, Fe14/3(SO4)6(OD,OH)2(D2O,H2O)20, and ab-initio calculations on the structure of magnesiocopiapite MgFe4(SO4)6(OH)2(H2O)20 Locality: synthetic","The Canadian Mineralogist","2006","44","","1227","1237","10.2113/gscanmin.44.5.1227","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9010601","7.5515","","18.601","","7.446","","95.49","","102.71","","98.71","","999.446","","","","","","","","","","","","","5","P -1","-P 1","2","","","Magnesiocopiapite","- Fe4 H42 Mg O46 S6 -","- Fe4 H42 Mg O46 S6 -","- Fe4 H42 Mg O46 S6 -","1","0.5","","Majzlan, J.; Kiefer, B.","An X-ray and neutron-diffraction study of synthetic ferricopiapite, Fe14/3(SO4)6(OD,OH)2(D2O,H2O)20, and ab-initio calculations on the structure of magnesiocopiapite MgFe4(SO4)6(OH)2(H2O)20 Note: hypothetical structure from ab-initio calculations","The Canadian Mineralogist","2006","44","","1227","1237","10.2113/gscanmin.44.5.1227","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9010602","16.841","","9.128","","9.435","","90","","90.08","","90","","1450.39","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Br0.624 Cl1.376 Hg3 S2 -","- Br0.624 Cl1.376 Hg3 S2 -","- Br4.992 Cl11.008 Hg24 S16 -","8","1","","Pervukhina, N. V.; Vasil'ev, V. I.; Magarill, S. A.; Borisov, S. V.; Naumov, D. Y.","Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2 (Hal: Cl,Br). I. Crystal structures of two polymorphic modifications of Hg3S2Cl2-xBrx (x ~ 0.5) Sample: compound I","The Canadian Mineralogist","2006","44","","1239","1246","10.2113/gscanmin.44.5.1239","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010603","18.0409","","18.0409","","18.0409","","90","","90","","90","","5871.85","","","","","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Br7.27 Cl24.73 Hg48 S32 -","- Br7.27 Cl24.73 Hg48 S32 -","- Br14.54 Cl49.46 Hg96 S64 -","2","0.0416667","","Pervukhina, N. V.; Vasil'ev, V. I.; Magarill, S. A.; Borisov, S. V.; Naumov, D. Y.","Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2 (Hal: Cl,Br). I. Crystal structures of two polymorphic modifications of Hg3S2Cl2-xBrx (x ~ 0.5) Sample: compound II","The Canadian Mineralogist","2006","44","","1239","1246","10.2113/gscanmin.44.5.1239","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010604","17.824","","9.238","","10.269","","90","","115.69","","90","","1523.74","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Br3 Cl Hg6 S4 -","- Br3 Cl Hg6 S4 -","- Br12 Cl4 Hg24 S16 -","4","0.5","","Pervukhina, N. V.; Vasil'ev, V. I.; Magarill, S. A.; Borisov, S. V.; Naumov, D. Y.","Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2 (Hal: Cl,Br). II. Crystal structures of two polymorphic modifications of Hg3S2Cl2-xBrx (x~0.5) Sample: compound I","The Canadian Mineralogist","2006","44","","1247","1255","10.2113/gscanmin.44.5.1247","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010605","18.248","","18.248","","18.248","","90","","90","","90","","6076.39","","","","","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Br6.004 Cl1.996 Hg12 S8 -","- Br6.004 Cl1.996 Hg12 S8 -","- Br48.032 Cl15.968 Hg96 S64 -","8","0.166667","","Pervukhina, N. V.; Vasil'ev, V. I.; Magarill, S. A.; Borisov, S. V.; Naumov, D. Y.","Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2 (Hal: Cl,Br). II. Crystal structures of two polymorphic modifications of Hg3S2Cl2-xBrx (x~0.5) Sample: compound II","The Canadian Mineralogist","2006","44","","1247","1255","10.2113/gscanmin.44.5.1247","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010606","10.4191","","12.2408","","7.0569","","90.857","","99.193","","91.895","","887.791","","","","","","","","","","","","Dara-i-Pioz moraine, Alai ridge, Tien-Shan Mountains, Tajikistan","11","P -1","-P 1","2","","","Senkevichite","- Ca1.62 Cs0.9 Fe0.06 H K1.08 Mn0.3 Na Nb0.04 O20 Si7 Ti0.93 -","- Ca1.62 Cs0.9 Fe0.06 H K1.08 Mn0.3 Na Nb0.04 O20 Si7 Ti0.93 -","- Ca3.24 Cs1.8 Fe0.12 H2 K2.16 Mn0.6 Na2 Nb0.08 O40 Si14 Ti1.86 -","2","1","","Uvarova, Y. A.; Sokolova, E.; Hawthorne, F. C.; Agakhanov, A. A.; Pautov, L. A.; Karpenko, V. Y.","The crystal chemistry of senkevichite, CsKNaCa2TiO[Si7O18(OH)], from the Dara-I-Pioz alkaline massif, northern Tajikistan","The Canadian Mineralogist","2006","44","","1341","1348","10.2113/gscanmin.44.6.1341","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010607","11.039","","10.098","","8.5677","","90","","100.313","","90","","939.628","","","","","","","","","","","","Kipawa alkaline complex, Quebec, Canada","4","C 1 2/c 1","-C 2yc","15","","","Vlasovite","- Na2 O11 Si4 Zr -","- Na2 O11 Si4 Zr -","- Na8 O44 Si16 Zr4 -","4","0.5","","Sokolova, E.; Hawthorne, F. C.; Ball, N. A.; Mitchell, R. H.; Della Ventura, G.","Vlasovite, Na2Zr(Si4O11), from the Kipawa alkaline complex, Quebec, Canada: Crystal-structure refinement and infrared spectroscopy","The Canadian Mineralogist","2006","44","","1349","1356","10.2113/gscanmin.44.6.1349","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010608","11.261","","7.087","","16.8359","","90","","90","","90","","1343.62","","","","","","","","","","","","Shinkolobwe mine, Shaba, Democratic Republic of Congo","5","P m c n","-P 2n 2a","62","","","Wyartite","- C0.7 H6.6 Ca O13.66 U3 -","- C0.7 H3.92 Ca O13.66 U3 -","- C2.8 H15.68 Ca4 O54.64 U12 -","4","0.5","","Hawthorne, F. C.; Finch, R. J.; Ewing, R. C.","The crystal structure of dehydrated wyartite, Ca(CO3)[U5+(U6+O2)2O4(OH)] (H2O)3","The Canadian Mineralogist","2006","44","","1379","1385","10.2113/gscanmin.44.6.1379","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010609","7.3742","","7.3742","","11.9598","","90","","90","","120","","563.228","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- O8 Si Sn6 -","- O8 Si Sn6 -","- O16 Si2 Sn12 -","2","0.166667","","Locock, A. J.; Ramik, R. A.; Back, M. E.","The structures of two novel Sn2+ oxysalts found with romarchite and hydroromarchite as corrosion products of pewter artifacts","The Canadian Mineralogist","2006","44","","1457","1467","10.2113/gscanmin.44.6.1457","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010610","14.0071","","12.5016","","14.503","","90","","90","","90","","2539.64","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H2 O10 S Sn6.54 -","- H2 O10 S Sn6.54 -","- H16 O80 S8 Sn52.32 -","8","1","","Locock, A. J.; Ramik, R. A.; Back, M. E.","The structures of two novel Sn2+ oxysalts found with romarchite and hydroromarchite as corrosion products of pewter artifacts","The Canadian Mineralogist","2006","44","","1457","1467","10.2113/gscanmin.44.6.1457","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010611","7.5238","","7.5238","","12.39","","90","","90","","120","","607.402","","","","","","","","","","","","Capillitas, Catamarca, Argentina","4","P 63 m c","P 6c -2c","186","","","Catamarcaite","- Cu6 Ge S8 W -","- Cu6 Ge S8 W -","- Cu12 Ge2 S16 W2 -","2","0.166667","","Putz, H.; Paar, W. H.; Topa, D.; Makovicky, E.; Roberts, A. C.","Catamarcaite, Cu6GeWS8, a new germanium sulfide mineral species from Capillitas, Catamarca, Argentina: Description, paragenesis and crystal structure Locality: Capillitas, Catamarca, Argentina","The Canadian Mineralogist","2006","44","","1481","1497","10.2113/gscanmin.44.6.1481","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010612","8.276","","17.392","","19.505","","83.527","","77.882","","89.215","","2727.27","","","","","","","","","","","","Low Tatra Mountains, Slovakia","4","P -1","-P 1","2","","","Dadsonite","- Cl Pb21.994 S60 Sb26.006 -","- Cl Pb21.994 S60 Sb26.006 -","- Cl Pb21.994 S60 Sb26.006 -","1","0.5","","Makovicky, E.; Topa, D.; Mumme, W. G.","The crystal structure of dadsonite Sample: 8-angstrom structure","The Canadian Mineralogist","2006","44","","1499","1512","10.2113/gscanmin.44.6.1499","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010613","4.1382","","17.394","","19.071","","96.442","","90.113","","90.775","","1363.93","","","","","","","","","","","","Low Tatra Mountains, Slovakia","4","P -1","-P 1","2","","","Dadsonite","- Cl0.5 Pb10.57 S30 Sb13.43 -","- Cl0.5 Pb10.57 S30 Sb13.43 -","- Cl0.5 Pb10.57 S30 Sb13.43 -","1","0.5","","Makovicky, E.; Topa, D.; Mumme, W. G.","The crystal structure of dadsonite Sample: 4-angstrom structure","The Canadian Mineralogist","2006","44","","1499","1512","10.2113/gscanmin.44.6.1499","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010734","9.7226","","18.28","","5.427","","90","","90","","90","","964.536","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Rhomboclase","- Fe H3.028 O12 S2 -","- Fe O12 S2 -","- Fe4 O48 S8 -","4","0.5","","Majzlan, J.; Navrotsky, A.; McCleskey, R. B.; Alpers, C. N.","Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5 Locality: synthetic","European Journal of Mineralogy","2006","18","","175","186","10.1127/0935-1221/2006/0018-0175","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"9010735","9.38749","","9.38749","","9.38749","","94.379","","94.379","","94.379","","819.634","","","","","","","","","","","","Wasson's Bluff, Two Islands, Nova Scotia, Canada","6","R -3 m :R","-P 3* 2","166","","","Chabazite-K","- Al3.48 Ca1.2 H70 K0.78 O35.16 Si8.52 -","- Al3.48 Ca1.2 H22.32 K0.78 O35.16 Si8.52 -","- Al3.48 Ca1.2 H22.32 K0.78 O35.16 Si8.52 -","1","0.0833333","","Gualtieri, A. F.; Passaglia, E.","Rietveld structure refinement of NH4-exchanged natural chabazite","European Journal of Mineralogy","2006","18","","351","359","10.1127/0935-1221/2006/0018-0351","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010736","9.41709","","9.41709","","9.41709","","94.678","","94.678","","94.678","","826.291","","","","","","","","","","","","Wasson's Bluff, Two Islands, Nova Scotia, Canada","7","R -3 m :R","-P 3* 2","166","","","NH4-Chabazite-K","- Al3.48 Ca0.05 H74 K0.05 N2 O33.66 Si8.52 -","- Al3.48 Ca0.05 H27.32 K0.05 N2 O33.66 Si8.52 -","- Al3.48 Ca0.05 H27.32 K0.05 N2 O33.66 Si8.52 -","1","0.0833333","","Gualtieri, A. F.; Passaglia, E.","Rietveld structure refinement of NH4-exchanged natural chabazite","European Journal of Mineralogy","2006","18","","351","359","10.1127/0935-1221/2006/0018-0351","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010737","5.337","","9.239","","10.237","","90","","100.03","","90","","497.057","","","","","","","","","","","","Cava St. Antonio, Mt. Vulture, Potenza, Italy","6","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Fe0.755 H1.421 K Mg2.245 O12 Si4 -","- Fe0.7547 H1.421 K1.0657 Mg2.2452 O12 Si4 -","- Fe1.5094 H2.842 K2.1314 Mg4.4904 O24 Si8 -","2","0.25","","Scordari, F.; Ventruti, G.; Sabato, A.; Bellatreccia, F.; Della Ventura, G.; Pedrazzi, G.","Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample: SA1-3","European Journal of Mineralogy","2006","18","","379","391","10.1127/0935-1221/2006/0018-0379","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010738","5.334","","9.24","","10.235","","90","","100.021","","90","","496.748","","","","","","","","","","","","Cava St. Antonio, Mt. Vulture, Potenza, Italy","6","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Fe0.752 H1.405 K Mg2.248 O12 Si4 -","- Fe0.7523 H1.4054 K1.0653 Mg2.2478 O12 Si4 -","- Fe1.5046 H2.8108 K2.1306 Mg4.4956 O24 Si8 -","2","0.25","","Scordari, F.; Ventruti, G.; Sabato, A.; Bellatreccia, F.; Della Ventura, G.; Pedrazzi, G.","Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample: SA1-5","European Journal of Mineralogy","2006","18","","379","391","10.1127/0935-1221/2006/0018-0379","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010739","5.337","","9.238","","10.228","","90","","100.05","","90","","496.536","","","","","","","","","","","","Cava St. Antonio, Mt. Vulture, Potenza, Italy","6","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Fe0.807 H1.361 K Mg2.191 O12 Si4 -","- Fe0.8073 H1.3612 K1.017 Mg2.1915 O12 Si4 -","- Fe1.6146 H2.7224 K2.034 Mg4.383 O24 Si8 -","2","0.25","","Scordari, F.; Ventruti, G.; Sabato, A.; Bellatreccia, F.; Della Ventura, G.; Pedrazzi, G.","Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample: SA1-9","European Journal of Mineralogy","2006","18","","379","391","10.1127/0935-1221/2006/0018-0379","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010740","5.336","","9.236","","10.223","","90","","100.058","","90","","496.08","","","","","","","","","","","","Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample: SA1-51","6","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Fe0.826 H1.39 K Mg2.172 O12 Si4 -","- Fe0.8256 H1.3898 K1.0451 Mg2.1719 O12 Si4 -","- Fe1.6512 H2.7796 K2.0902 Mg4.3438 O24 Si8 -","2","0.25","","Scordari, Fernando; Ventruti, Gennaro; Sabato, Anna; Bellatreccia, Fabio; Della Ventura, Giancarlo; Pedrazzi, Giuseppe","Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles","European Journal of Mineralogy","2006","18","3","379","391","10.1127/0935-1221/2006/0018-0379","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:51",""
"9010741","5.335","","9.242","","10.231","","90","","100.001","","90","","496.785","","","","","","","","","","","","Cava St. Antonio, Mt. Vulture, Potenza, Italy","6","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Fe0.802 H1.403 K Mg2.198 O12 Si4 -","- Fe0.8017 H1.403 K1.0091 Mg2.1976 O12 Si4 -","- Fe1.6034 H2.806 K2.0182 Mg4.3952 O24 Si8 -","2","0.25","","Scordari, F.; Ventruti, G.; Sabato, A.; Bellatreccia, F.; Della Ventura, G.; Pedrazzi, G.","Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample: SA1-52","European Journal of Mineralogy","2006","18","","379","391","10.1127/0935-1221/2006/0018-0379","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010742","8.7","","26.237","","8.774","","90","","119.653","","90","","1740.48","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","4","P 1 21/m 1","-P 2yb","11","","","Kirkiite","- As3 Bi2 Pb11 S19 -","- As3 Bi2 Pb11 S19 -","- As6 Bi4 Pb22 S38 -","2","0.5","","Pinto, D.; Balic-Zunic T; Garavelli, A.; Garbarino, C.; Makovicky, E.; Vurro, F.","First occurrence of close-to-ideal kirkiite at Vulcano (Aeolian Islands, Italy): chemical data and single-crystal X-ray study","European Journal of Mineralogy","2006","18","","393","401","10.1127/0935-1221/2006/0018-0393","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010743","11.897133","","11.90851","","6.78729","","90","","90","","90","","961.604","","","","2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Epsomite (deuterated)","- D14 Mg O11 S -","- D14 Mg O11 S -","- D56 Mg4 O44 S4 -","4","1","","Fortes, A. D.; Wood, I. G.; Alfredsson, M.; Vocadlo, L.; Knight, K. S.","The thermoelastic properties of MgSO4*7D2O (epsomite) from powder neutron diffraction and ab initio calculation Locality: synthetic Sample: T = 2 K","European Journal of Mineralogy","2006","18","","449","462","10.1127/0935-1221/2006/0018-0449","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010744","5.806","","12.923","","5.628","","90","","107.49","","90","","402.752","","","","","","","","","","","","Schneeberg, Saxony, Germany","6","P 1 21/c 1","-P 2ybc","14","","","Wendwilsonite","- As2 Ca2 Co0.1 H4 Mg0.9 O10 -","- As2 Ca2 Co0.1 H4 Mg0.9 O10 -","- As4 Ca4 Co0.2 H8 Mg1.8 O20 -","2","0.5","","Kolitsch, U.; Fleck, M.","Third update on compounds with krohnkite-type chains: the crystal structure of wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs) Locality: Schneeberg, Saxony, Germany","European Journal of Mineralogy","2006","18","","471","482","10.1127/0935-1221/2006/0018-0471","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9010745","5.586","","6.054","","7.432","","110.74","","90.21","","117.34","","204.564","","","","","","","","","","","","Synthetic","5","P -1","-P 1","2","","","","- Ag Cr2 H4 O10 Sc -","- Ag Cr2 H4 O10 Sc -","- Ag Cr2 H4 O10 Sc -","1","0.5","","Kolitsch, U.; Fleck, M.","Third update on compounds with krohnkite-type chains: the crystal structure of wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs) Locality: synthetic","European Journal of Mineralogy","2006","18","","471","482","10.1127/0935-1221/2006/0018-0471","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9010746","7.272","","7.648","","7.772","","91.89","","99.72","","115.79","","380.839","","","","","","","","","","","","Synthetic","5","P -1","-P 1","2","","","","- Cr4 Cu H4 O16 Rb2 -","- Cr4 Cu H4 O16 Rb2 -","- Cr4 Cu H4 O16 Rb2 -","1","0.5","","Kolitsch, U.; Fleck, M.","Third update on compounds with krohnkite-type chains: the crystal structure of wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs) Locality: synthetic","European Journal of Mineralogy","2006","18","","471","482","10.1127/0935-1221/2006/0018-0471","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9010747","7.462","","7.819","","7.847","","93.19","","99.57","","116.34","","400.23","","","","","","","","","","","","Synthetic","5","P -1","-P 1","2","","","","- Cr4 Cs2 Cu H4 O16 -","- Cr4 Cs2 Cu H4 O16 -","- Cr4 Cs2 Cu H4 O16 -","1","0.5","","Kolitsch, U.; Fleck, M.","Third update on compounds with krohnkite-type chains: the crystal structure of wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs) Locality: synthetic","European Journal of Mineralogy","2006","18","","471","482","10.1127/0935-1221/2006/0018-0471","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9010748","9.871","","18.006","","5.314","","90","","105.37","","90","","910.715","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Fluoro-magnesiohastingsite","- Al2.19 Ca2.19 F2 Fe0.71 K0.21 Mg4.03 Na0.51 O22 Si5.94 Ti0.13 -","- Al2.19 Ca2.19 F2 Fe0.71 K0.21 Mg4.03 Na0.51 O22 Si5.94 Ti0.13 -","- Al4.38 Ca4.38 F4 Fe1.42 K0.42 Mg8.06 Na1.02 O44 Si11.88 Ti0.26 -","2","0.25","","Bojar, H. P.; Walter, F.","Fluoro-magnesiohastingsite from Dealul Uroi (Hunedoara county, Romania): Mineral data and crystal structure of a new amphibole end-member Locality: Dealul Uroi, Hunedoara county, Romania","European Journal of Mineralogy","2006","18","","503","508","10.1127/0935-1221/2006/0018-0503","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9010749","8.901","","5.738","","10.068","","90","","113.425","","90","","471.832","","","","","","","","","","","","Praborna manganese mine, Saint-Marcel, Aosta valley, Alps, Italy","14","P 1 21/m 1","-P 2yb","11","","","Manganiandrosite-(Ce)","- Al Ca0.42 Ce0.46 Fe0.23 H La0.23 Mg0.04 Mn2.23 Nd0.12 O13 Si3 Sm0.01 Sr0.07 Ti0.1 -","- Al Ca0.42 Ce0.46 Fe0.23 H La0.23 Mg0.04 Mn2.23 Nd0.12 O13 Si3 Sm0.01 Sr0.07 Ti0.1 -","- Al2 Ca0.84 Ce0.92 Fe0.46 H2 La0.46 Mg0.08 Mn4.46 Nd0.24 O26 Si6 Sm0.02 Sr0.14 Ti0.2 -","2","0.5","","Cenki-Tok B; Ragu, A.; Armbruster, T.; Chopin, C.; Medenbach, O.","New Mn- and rare-earth-rich epidote-group minerals in metacherts: manganiandrosite-(Ce) and vanadoandrosite-(Ce)","European Journal of Mineralogy","2006","18","","569","582","10.1127/0935-1221/2006/0018-0569","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9010750","8.856","","5.729","","10.038","","90","","113.088","","90","","468.496","","","","","","","","","","","","Vielle Aure mining district, central Pyrenees, France","15","P 1 21/m 1","-P 2yb","11","","","Vanadoandrosite-(Ce)","- Al1.16 Ca0.59 Ce0.39 Fe0.33 H La0.15 Mg0.03 Mn0.98 Nd0.1 O13 Si3 Sm0.02 Sr0.11 Ti0.01 V1.11 -","- Al1.16 Ca0.59 Ce0.39 Fe0.33 H La0.15 Mg0.03 Mn0.98 Nd0.1 O13 Si3 Sm0.02 Sr0.11 Ti0.01 V1.11 -","- Al2.32 Ca1.18 Ce0.78 Fe0.66 H2 La0.3 Mg0.06 Mn1.96 Nd0.2 O26 Si6 Sm0.04 Sr0.22 Ti0.02 V2.22 -","2","0.5","","Cenki-Tok B; Ragu, A.; Armbruster, T.; Chopin, C.; Medenbach, O.","New Mn- and rare-earth-rich epidote-group minerals in metacherts: manganiandrosite-(Ce) and vanadoandrosite-(Ce)","European Journal of Mineralogy","2006","18","","569","582","10.1127/0935-1221/2006/0018-0569","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9010751","15.997","","15.997","","7.179","","90","","90","","120","","1591.01","","","","","","","","","","","","pegmatite at Grasstein, Trentino-South Tyrol, Italy","13","R 3 m :H","R 3 -2""","160","","","Schorl","- Al19.35 B9 F2.28 Fe6.75 H17.72 K0.03 Mg0.09 Mn0.36 Na2.34 O90.72 Si17.64 Ti0.09 Zn0.09 -","- Al19.35 B9 F2.28 Fe6.75 H9 K0.03 Mg0.09 Mn0.36 Na2.34 O90.72 Si17.64 Ti0.09 Zn0.09 -","- Al19.35 B9 F2.28 Fe6.75 H9 K0.03 Mg0.09 Mn0.36 Na2.34 O90.72 Si17.64 Ti0.09 Zn0.09 -","1","0.0555556","","Ertl, A.; Kolitsch, U.; Prowatke, S.; Dyar, M. D.; Henry, D. J.","The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal structure and chemistry Locality: pegmatite at Grasstein, Trentino-South Tyrol, Italy","European Journal of Mineralogy","2006","18","","583","588","10.1127/0935-1221/2006/0018-0583","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9010752","13.338","","17.795","","5.265","","90","","105.46","","90","","1204.43","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","Maya Blue (deuterated)","","","- C0.48 H1.06 Al0.82 D5.01 Fe0.06 Mg1.12 N0.06 O15.06 Si4 -","- C0.48 H1.06 Al0.82 D5.01 Fe0.06 Mg1.12 N0.06 O15.06 Si4 -","- C1.92 H4.24 Al3.28 D20.04 Fe0.24 Mg4.48 N0.24 O60.24 Si16 -","4","0.5","","Giustetto, R.; Levy, D.; Chiari, G.","Crystal structure refinement of Maya Blue pigment prepared with deuterated indigo, using neutron powder diffraction Locality: starting palygorskite from Chapas, Mexico","European Journal of Mineralogy","2006","18","","629","640","10.1127/0935-1221/2006/0018-0629","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9010753","12.636","","17.868","","5.223","","90","","90","","90","","1179.25","","","","","","","","","","","","","9","P b m n","-P 2ab 2ab","53","Maya Blue","","","- C0.8 H1.1 Al0.82 D5.02 Fe0.06 Mg1.12 N0.1 O14.65 Si4 -","- C0.8 H1.1 Al0.82 D5.02 Fe0.06 Mg1.12 N0.1 O14.65 Si4 -","- C3.2 H4.4 Al3.28 D20.08 Fe0.24 Mg4.48 N0.4 O58.6 Si16 -","4","0.5","","Giustetto, R.; Levy, D.; Chiari, G.","Crystal structure refinement of Maya Blue pigment prepared with deuterated indigo, using neutron powder diffraction Locality: starting palygorskite from Chapas, Mexico","European Journal of Mineralogy","2006","18","","629","640","10.1127/0935-1221/2006/0018-0629","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9010754","4.7942","","10.35","","6.0436","","90","","90","","90","","299.883","","","","293.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 20 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010755","4.7961","","10.3557","","6.0479","","90","","90","","90","","300.381","","","","377.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 104 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010756","4.7996","","10.3652","","6.0543","","90","","90","","90","","301.194","","","","475.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 202 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010757","4.8043","","10.3779","","6.063","","90","","90","","90","","302.292","","","","579.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 306 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010758","4.8181","","10.4158","","6.0884","","90","","90","","90","","305.542","","","","874.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 601 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010759","4.8209","","10.423","","6.0927","","90","","90","","90","","306.147","","","","929.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 656 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010760","4.8231","","10.4296","","6.0963","","90","","90","","90","","306.662","","","","974.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 701 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010761","4.827","","10.4381","","6.1023","","90","","90","","90","","307.463","","","","1026.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 753 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010762","4.8257","","10.4373","","6.1009","","90","","90","","90","","307.286","","","","1021.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-2, T = 748 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010763","4.8291","","10.4433","","6.1058","","90","","90","","90","","307.926","","","","1077.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-2, T = 804 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010764","4.8325","","10.4552","","6.1128","","90","","90","","90","","308.848","","","","1125.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-2, T = 852 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010765","4.8358","","10.4636","","6.1176","","90","","90","","90","","309.55","","","","1180.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-2, T = 907 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010766","5.277","","9.14","","9.78","","90","","101","","90","","463.04","","","","","","","","","","","","Garfield, Washington, USA","4","C 1 2/m 1","-C 2y","12","","","Nontronite","- Fe H O6 Si2 -","- Fe H O6 Si2 -","- Fe4 H4 O24 Si8 -","4","0.5","","Dainyak, L. G.; Zviagina, B. B.; Rusakov, V. S.; Drits, V. A.","Interpretation of the nontonite-dehydroxylate Mossbauer spectrum using EFG calculations Locality: Garfield, Washington, USA Sample: tv structure","European Journal of Mineralogy","2006","18","","753","764","10.1127/0935-1221/2006/0018-0753","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010767","5.277","","9.14","","9.6","","90","","90","","90","","463.025","","","","","","","","","","","","Garfield, Washington, USA","4","P 1","P 1","1","","","Nontronite","- Fe2 Na0.41 O10.01 Si4 -","- Fe2 Na0.41 O10.01 Si4 -","- Fe4 Na0.82 O20.02 Si8 -","2","2","","Dainyak, L. G.; Zviagina, B. B.; Rusakov, V. S.; Drits, V. A.","Interpretation of the nontonite-dehydroxylate Mossbauer spectrum using EFG calculations Locality: Garfield, Washington, USA Sample: Model 2","European Journal of Mineralogy","2006","18","6","753","764","10.1127/0935-1221/2006/0018-0753","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010768","15.2741","","15.2741","","43.334","","90","","90","","120","","8755.29","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- H6 Mn23.52 Na5.81 O72.48 P18 -","- H0.96 Mn23.52 Na5.81 O72.48 P18 -","- H5.76 Mn141.12 Na34.86 O434.88 P108 -","6","0.333333","","Keller, P.; Hatert, F.; Lissner, F.; Schleid, T.; Fransolet, A. M.","Hydrothermal synthesis and crystal structure of Na(NaMn)7Mn22(PO4)18*0.5H2O, a new compund of fillowite structure type","European Journal of Mineralogy","2006","18","","765","774","10.1127/0935-1221/2006/0018-0765","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9010769","12.001","","12.396","","6.329","","90","","114.48","","90","","856.892","","","","","","","","","","","","Buranga pegmatite, Rwanda","8","P 1 21/n 1","-P 2yn","14","","","Rosemaryite","- Al0.785 Ca0.096 Fe1.182 Mg0.083 Mn1.113 Na0.511 O12 P3 -","- Al0.785 Ca0.096 Fe1.182 Mg0.083 Mn1.1135 Na0.511 O12 P3 -","- Al3.14 Ca0.384 Fe4.728 Mg0.332 Mn4.454 Na2.044 O48 P12 -","4","1","","Hatert, F.; Hermann, R. P.; Fransolet, A. M.; Long, G. J.; Grandjean, F.","A structural, infrared, and Mossbauer spectral study of rosemaryite, NdMnFe3+Al(PO4)3 Locality: Buranga pegmatite, Rwanda","European Journal of Mineralogy","2006","18","","775","785","10.1127/0935-1221/2006/0018-0775","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010770","12.0613","","9.3653","","3.1361","","90","","98.085","","90","","350.726","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Glaukosphaerite","- C H2 Cu1.5 Ni0.5 O5 -","- C H2 Cu1.5 Ni0.5 O5 -","- C4 H8 Cu6 Ni2 O20 -","4","1","","Perchiazzi, N.; Merlino, S.","The malachite-rosasite group: crystal structures of glaukosphaerite and pokrovskite","European Journal of Mineralogy","2006","18","","787","792","10.1127/0935-1221/2006/0018-0787","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010771","12.2396","","9.3506","","3.1578","","90","","96.445","","90","","359.119","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Pokrovskite","- C H2 Mg1.76 O5 -","- C H2 Mg1.76 O5 -","- C4 H8 Mg7.04 O20 -","4","1","","Perchiazzi, N.; Merlino, S.","The malachite-rosasite group: crystal structures of glaukosphaerite and pokrovskite","European Journal of Mineralogy","2006","18","","787","792","10.1127/0935-1221/2006/0018-0787","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010772","9.777","","7.358","","17.83","","90","","92.19","","90","","1281.74","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","Allanpringite","- Al0.25 Fe2.75 H15 O16 P2 -","- Al0.25 Fe2.75 H13 O16 P2 -","- Al Fe11 H52 O64 P8 -","4","1","","Kolitsch, U.; Bernhardt, H. J.; Lengauer, C. L.; Blass, G.; Tillmanns, E.","Allanpringite, Fe3(PO4)2(OH)3*5H2O, a new ferric iron phosphate from Germany, and its close relation to wavellite Locality: Grube mark, Esserhausen, Weilburg/Lahn, Taunus, Hesse, Germany","European Journal of Mineralogy","2006","18","","793","801","10.1127/0935-1221/2006/0018-0793","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010773","5.299","","16.133","","23.948","","90","","90","","90","","2047.29","","","","","","","","","","","","Pucher Richtschacht, Schneeberg, Saxony, Germany","6","P n c a","-P 2a 2n","60","","","Schlegelite","- As3 Bi7 Mo1.78 O24 P0.16 V0.06 -","- As3 Bi7 Mo1.78 O24 P0.16 V0.06 -","- As12 Bi28 Mo7.12 O96 P0.64 V0.24 -","4","0.5","","Krause, W.; Bernhardt, N. J.; Effenberger, H.","Schlegelite, Bi7O4(MoO4)2(AsO4)3, a new mineral from Schneeberg, Saxony, Germany","European Journal of Mineralogy","2006","18","","803","811","10.1127/0935-1221/2006/0018-0803","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010774","5.475","","16.865","","6.915","","90","","99.8","","90","","629.185","","","","","","","","","","","","El Guanaco Mine, Taltal, Chile","5","P 1 21/c 1","-P 2ybc","14","","","Guanacoite","- As2 Cu2.582 H12 Mg2.418 O16 -","- As2 Cu2.582 H12 Mg2.418 O16 -","- As4 Cu5.164 H24 Mg4.836 O32 -","2","0.5","","Witzke, T.; Kolitsch, U.; Krause, W.; Wiechowski, A.; Medenbach, O.; Kampf, A. R.; Steele, I. M.; Favreau, G.","Guanacoite, Cu2Mg2(Mg0.5Cu0.5)(OH)4(H2O)4(AsO4)2, a new arsenate mineral species from the El Guanaco Mine, near Taltal, Chile: Description and crystal structure Locality: El Guanaco Mine, Taltal, Chile","European Journal of Mineralogy","2006","18","","813","821","10.1127/0935-1221/2006/0018-0813","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010861","5.3022","","9.1833","","10.1795","","90","","100.078","","90","","488.009","","","","10.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = -263 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010862","5.3134","","9.2042","","10.2093","","90","","100.067","","90","","491.605","","","","298.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 25 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010863","5.3181","","9.2123","","10.2202","","90","","100.07","","90","","492.994","","","","373.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 100 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010864","5.3247","","9.2245","","10.2371","","90","","100.079","","90","","495.063","","","","473.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 200 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010865","5.3312","","9.2359","","10.2541","","90","","100.084","","90","","497.096","","","","573.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 300 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010866","5.3377","","9.2455","","10.2729","","90","","100.093","","90","","499.119","","","","673.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 400 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010867","5.3427","","9.2537","","10.2923","","90","","100.092","","90","","500.976","","","","773.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 500 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010868","5.3468","","9.2616","","10.3101","","90","","100.078","","90","","502.678","","","","873.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 600 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010869","5.3497","","9.266","","10.325","","90","","100.075","","90","","503.921","","","","973.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 700 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010870","5.3528","","9.2708","","10.3411","","90","","100.05","","90","","505.3","","","","1073.15","","","","","","","","Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al1.42 F0.2 Fe0.42 H1.8 K Mg2.28 O11.8 Si2.76 Ti0.12 -","- Al2.84 F0.4 Fe0.84 H3.6 K2 Mg4.56 O23.6 Si5.52 Ti0.24 -","2","0.25","","Chon, C.-M.; Lee, C.-K.; Song, Y.; Kim, S. A.","Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 800 C","Physics and Chemistry of Minerals","2006","33","","289","299","10.1007/s00269-005-0045-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010871","18.2113","","8.8172","","5.205","","90","","90","","90","","835.781","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe3.76 Li1.6 Mg10.64 O48 Si16 -","8","1","","Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R.","The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX3","Physics and Chemistry of Minerals","2006","33","","475","483","10.1007/s00269-006-0094-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010872","18.2369","","8.8246","","5.2076","","90","","90","","90","","838.077","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe3.76 Li1.6 Mg10.64 O48 Si16 -","8","1","","Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R.","The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX4","Physics and Chemistry of Minerals","2006","33","","475","483","10.1007/s00269-006-0094-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010873","18.2162","","8.8194","","5.2054","","90","","90","","90","","836.279","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe3.76 Li1.6 Mg10.64 O48 Si16 -","8","1","","Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R.","The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX5","Physics and Chemistry of Minerals","2006","33","","475","483","10.1007/s00269-006-0094-x","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010874","12.535","","12.535","","12.37","","90","","90","","90","","1943.65","","","","","","","","","","","","","3","I 41/a","","","","","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca32 Ge32 O96 -","32","","","Vinograd, V. L.; Winkler, B.; Wilson, D. J.; Putnis, A.; Gale, J. D.","Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope-majorite solid solution Sample: XRD","Physics and Chemistry of Minerals","2006","33","","533","544","10.1007/s00269-006-0099-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010875","12.539","","12.539","","12.34","","90","","90","","90","","1940.18","","","","","","","","","","","","","3","I 41/a","","","","","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca32 Ge32 O96 -","32","","","Vinograd, V. L.; Winkler, B.; Wilson, D. J.; Putnis, A.; Gale, J. D.","Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope-majorite solid solution Sample: SLEC","Physics and Chemistry of Minerals","2006","33","","533","544","10.1007/s00269-006-0099-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010876","12.679","","12.679","","12.527","","90","","90","","90","","2013.8","","","","","","","","","","","","","3","I 41/a","","","","","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca32 Ge32 O96 -","32","","","Vinograd, V. L.; Winkler, B.; Wilson, D. J.; Putnis, A.; Gale, J. D.","Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope-majorite solid solution Sample: DFT","Physics and Chemistry of Minerals","2006","33","","533","544","10.1007/s00269-006-0099-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010877","6.9741","","6.9741","","17.19","","90","","90","","120","","724.074","","","","","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","Alunite","- Al2.967 H6 K0.805 Na0.132 O14.063 S2 -","- Al2.967 H6 K0.805 Na0.132 O14.063 S2 -","- Al8.901 H18 K2.415 Na0.396 O42.189 S6 -","3","0.0833333","","Majzlan, J.; Speziale, S.; Duffy, T. S.; Burns, P. C.","Single-crystal elastic properties of alunite, KAl3(SO4)2(OH)6","Physics and Chemistry of Minerals","2006","33","","567","573","10.1007/s00269-006-0104-z","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010878","11.0575","","11.0575","","10.4163","","90","","90","","120","","1102.96","","","","303","","","","","","","","","6","P 63","P 6c","173","","","Thaumasite","- C H30 Ca3 O25 S Si -","- C H30 Ca3 O25 S Si -","- C2 H60 Ca6 O50 S2 Si2 -","2","0.333333","","Martucci, A.; Cruciani, G.","In situ time resolved synchrotron powder diffraction study of thaumasite Sample: T = 303 K","Physics and Chemistry of Minerals","2006","33","","723","731","10.1007/s00269-006-0124-8","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010879","11.0825","","11.0825","","10.4447","","90","","90","","120","","1110.97","","","","413","","","","","","","","","6","P 63","P 6c","173","","","Thaumasite","- C H18 Ca3 O24.67 S Si -","- C H29.34 Ca3 O24.67 S Si -","- C2 H58.68 Ca6 O49.34 S2 Si2 -","2","0.333333","","Martucci, A.; Cruciani, G.","In situ time resolved synchrotron powder diffraction study of thaumasite Sample: T = 413 K","Physics and Chemistry of Minerals","2006","33","","723","731","10.1007/s00269-006-0124-8","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9011308","7.389","","7.389","","11.816","","90","","90","","120","","558.692","","","","15","","","","","","","","Clara mine, Black Forest, Germany","5","P -3 m 1","-P 3 2""","164","","","Pearceite","- Ag12.226 As1.192 Cu3.772 S11 Sb0.808 -","- Ag12.2262 As1.192 Cu3.772 S11 Sb0.808 -","- Ag12.2262 As1.192 Cu3.772 S11 Sb0.808 -","1","0.0833333","","Bindi, L.; Evain, M.; Menchetti, S.","Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 15 K","Acta Crystallographica, Section B","2006","62","2","212","219","10.1107/S010876810600108X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011309","7.3721","","7.3721","","11.8104","","90","","90","","120","","555.876","","","","120","","","","","","","","Clara mine, Black Forest, Germany","5","P -3 m 1","-P 3 2""","164","","","Pearceite","- Ag13.646 As1.179 Cu2.966 S11 Sb0.821 -","- Ag13.0404 As1.1792 Cu2.9656 S11 Sb0.8208 -","- Ag13.0404 As1.1792 Cu2.9656 S11 Sb0.8208 -","1","0.0833333","","Bindi, L.; Evain, M.; Menchetti, S.","Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 120 K","Acta Crystallographica, Section B","2006","62","2","212","219","10.1107/S010876810600108X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011310","7.3876","","7.3876","","11.8882","","90","","90","","120","","561.893","","","","300","","","","","","","","Clara mine, Black Forest, Germany","5","P -3 m 1","-P 3 2""","164","","","Pearceite","- Ag13.032 As1.18 Cu2.968 S11 Sb0.82 -","- Ag13.032 As1.18 Cu2.968 S11 Sb0.82 -","- Ag13.032 As1.18 Cu2.968 S11 Sb0.82 -","1","0.0833333","","Bindi, L.; Evain, M.; Menchetti, S.","Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 300 K","Acta Crystallographica, Section B","2006","62","2","212","219","10.1107/S010876810600108X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011311","20.416","","6.4987","","4.9294","","90","","90.26","","90","","654.014","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Na O3.5 Si1.5 -","- Na O3.5 Si1.5 -","- Na8 O28 Si12 -","8","1","","Kruger, H.; Kahlenberg, V.; Friese, K.","Na2Si3O7: an incommensurate structure with crenel-type modulation functions, refined from a twinned crystal","Acta Crystallographica, Section B","2006","62","3","440","446","10.1107/S010876810600663X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011312","26.188","","15.1199","","23.784","","90","","90","","90","","9417.51","","","","100","","","","","","","","Hidalgo, Mexico","4","C 1 2/c 1","-C 2yc","15","","","Polybasite","- Ag29.629 Cu2.371 S22 Sb4 -","- Ag29.629 Cu2.371 S22 Sb4 -","- Ag237.032 Cu18.968 S176 Sb32 -","8","1","","Evain, M.; Bindi, L.; Menchetti, S.","Structural compexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11 Sample: T = 100 K Sample: polytype 222","Acta Crystallographica, Section B","2006","62","3","447","456","10.1107/S010876810600975X","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9011313","15.0954","","15.0954","","11.8825","","90","","90","","120","","2344.92","","","","120","","","","","","","","Hidalgo, Mexico","4","P 3 2 1","P 3 2""","150","","","Polybasite","- Ag29.04 Cu2.96 S22 Sb4 -","- Ag29.04 Cu2.96 S22 Sb4 -","- Ag58.08 Cu5.92 S44 Sb8 -","2","0.333333","","Evain, M.; Bindi, L.; Menchetti, S.","Structural compexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11 Sample: T = 120 K Sample: polytype 221","Acta Crystallographica, Section B","2006","62","3","447","456","10.1107/S010876810600975X","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9011314","3.12","","3.12","","4.61","","90","","90","","120","","38.863","","","","","","","","","","","","Synthetic","3","P -3 m 1","-P 3 2""","164","","","Theophrastite","- H2 Ni O2 -","- H2 Ni O2 -","- H2 Ni O2 -","1","0.0833333","","Ramesh, T. N.; Kamath, P. V.; Shivakumara, C.","Classification of stacking faults and their stepwise elemination during the disorder -> order transformation of nickel hydroxide","Acta Crystallographica, Section B","2006","62","4","530","536","10.1107/S0108768106013188","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011315","23.518","","23.518","","5.0263","","90","","90","","90","","2780.03","","","","","","","","","","","","","5","P -4","P -4","81","","","","- Ca2 Co0.9 O7 Si2 Zn0.1 -","- Ca2 Co0.9 O7 Si2 Zn0.1 -","- Ca36 Co16.2 O126 Si36 Zn1.8 -","18","4.5","","Jia, Z. H.; Schaper, A. K.; Massa, W.; Treutmann, W.; Rager, H.","Structure and phase transitions in Ca2CoSi2O7-Ca2ZnSi2O7 solid-solution crystals","Acta Crystallographica, Section B","2006","62","4","547","555","10.1107/S0108768106016612","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011317","7.595","","7.595","","12.0731","","90","","90","","120","","603.122","","","","300","","","","","","","","De Lamar mine, Idaho, USA","6","P -3 m 1","-P 3 2""","164","","","Antimonpearceite","- Ag16.08 As0.34 Cu1.84 S8.34 Sb1.66 Se2.66 -","- Ag14.58 As0.34 Cu1.42 S8.34 Sb1.66 Se2.66 -","- Ag14.58 As0.34 Cu1.42 S8.34 Sb1.66 Se2.66 -","1","0.0833333","LC5047","Evain, M.; Bindi, L.; Menchetti, S.","Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)~6~(Sb,As)~2~(S,Se)~7~][Ag~9~Cu(S,Se)~2~Se~2~]","Acta Crystallographica Section B","2006","62","5","768","774","10.1107/S0108768106022798","","","0.71069","MoKα","","0.0768","0.0489","","","0.0575","0.0596","","","","","","1.8","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011318","13.1426","","7.5879","","23.729","","90","","90","","90","","2366.37","","","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Antimonpearceite","- Ag14.691 Cu1.309 S8.37 Sb2 Se2.63 -","- Ag14.691 Cu1.309 S8.37 Sb2 Se2.63 -","- Ag58.764 Cu5.236 S33.48 Sb8 Se10.52 -","4","1","LC5047","Evain, M.; Bindi, L.; Menchetti, S.","Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)~6~(Sb,As)~2~(S,Se)~7~][Ag~9~Cu(S,Se)~2~Se~2~]","Acta Crystallographica Section B","2006","62","5","768","774","10.1107/S0108768106022798","","","0.71069","MoKα","","0.0994","0.0692","","","0.0731","0.0758","","","","","","1.8","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011319","3.6661","","6.3138","","11.9028","","92.49","","90.59","","89.986","","275.24","","","","","","","","","","","","Synthetic","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Levyclaudite-(Sb)","- Cu0.298 Pb0.95 S3.36 Sb0.408 Sn0.851 -","- Cu0.298 Pb0.95 S3.36 Sb0.408 Sn0.851 -","- Cu0.596 Pb1.9 S6.72 Sb0.816 Sn1.702 -","2","","","Evain, M.; Petricek, V.; Moelo, Y.; Maurel, C.","First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals","Acta Crystallographica, Section B","2006","62","5","775","789","10.1107/S010876810602547X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011391","10.3273","","10.3273","","37.098","","90","","90","","120","","3426.53","","","","","","","","","","","","Synthetic","5","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca8.424 Na1.16 O28 P7 V -","- Ca8.424 Na1.16 O28 P7 V -","- Ca50.544 Na6.96 O168 P42 V6 -","6","0.333333","","Tsirlin, A. A.; Dikarev, E. V.; Shpanchenko, R. V.; Antipov, E. V.","A new whitlockite, Ca8.42Na1.16V(PO4)7","Acta Crystallographica, Section C","2006","62","","i13","i15","10.1107/S0108270105039041","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011829","7.021","","7.021","","20.218","","90","","90","","120","","863.111","","","","","","","","","","","","Emmons mine, Greenwood, Maine","7","P -3 m 1","-P 3 2""","164","","","Perhamite","- Al7.7 Ca2.7 H12.68 O45.862 P4 Si3 Sr0.3 -","- Al7.7 Ca2.7 H10 O39.862 P4 Si3 Sr0.3 -","- Al7.7 Ca2.7 H10 O39.862 P4 Si3 Sr0.3 -","1","0.0833333","","Mills, S.; Mumme, G.; Grey, I.; Bordet, P.","The crystal structure of perhamite Note: H positions unknown","Mineralogical Magazine","2006","70","","201","209","10.1180/0026461067020324","","","","","","","","","","","","","","","","","","","","","has coordinates","283912","2023-05-21","08:41:26",""
"9011830","6.3","","6.3","","5.733","","90","","90","","120","","197.058","","","","","","","","","","","","Lavrion, Greece","5","P -3 m 1","-P 3 2""","164","","","Kapellasite","- Cl2.18 Cu3 H5.82 O5.82 Zn -","- Cl2.18 Cu3 H5.82 O5.82 Zn -","- Cl2.18 Cu3 H5.82 O5.82 Zn -","1","0.0833333","","Krause, W.; Bernhardt, H. J.; Braithwaite, R. S. W.; Kolitsch, U.; Pritchard, R.","Kapellasite, Cu3Zn(OH)6Cl2, a new mineral from Lavrion, Greece, and its crystal structure","Mineralogical Magazine","2006","70","","329","340","10.1180/0026461067030336","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011831","7.415","","15.515","","7.164","","90","","90","","90","","824.173","","","","","","","","","","","","Aris phonolite, Nambia","11","P m m 2","P 2 -2","25","","","Sazhinite-(La)","- Ca0.16 Ce0.7 H5.72 La0.82 Na6 Nd0.08 O34.5 Pr0.04 S0.12 Si11.88 Th0.18 -","- Ca0.16 Ce0.7 H9 La0.82 Na6 Nd0.08 O34.5 Pr0.04 S0.12 Si11.88 Th0.18 -","- Ca0.16 Ce0.7 H9 La0.82 Na6 Nd0.08 O34.5 Pr0.04 S0.12 Si11.88 Th0.18 -","1","0.25","","Camara, F.; Ottolini, L.; Devouard, B.; Garvie, L. A. J.; Hawthorne, F. C.","Sazhinite-(La), Na3LaSi6O15(H2O)2, a new mineral from the Aris phonolite, Nambia: description and crystal structure","Mineralogical Magazine","2006","70","","405","418","10.1180/0026461067040343","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9012850","13.5","","28.8","","8.66","","90","","90.04","","90","","3367.01","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- O12 P4 Zr -","- O12 P4 Zr -","- O192 P64 Zr16 -","16","2","","Locock, A. J.","Crystal chemistry of actinide phosphates and arsenates","Structural Chemistry of Inorganic Actinide Compounds","2006","6","","214","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012851","11.51","","13.01","","8.15","","90","","134","","90","","877.899","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","","","- O12 P4 U -","- O12 P4 U -","- O48 P16 U4 -","4","1","","Locock, A. J.","Crystal chemistry of actinide phosphates and arsenates","Structural Chemistry of Inorganic Actinide Compounds","2006","6","","214","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012922","11.166881","","11.166881","","21.35366","","90","","90","","120","","2306.04","","","","","","","","","","","","Synthetic","5","P 3 1 c","P 3 -2c","159","","","Ettringite","- Al2 Ca6 H60.602 O49.496 S3 -","- Al2 Ca6 H60.6024 O49.4958 S3 -","- Al4 Ca12 H121.205 O98.9916 S6 -","2","0.333333","","Hartman, M. R.; Berliner, R.","Investigation of the structure of ettringite by time-of-flight neutron powder diffraction techniques Locality: synthetic","Cement and Concrete Research","2006","36","","364","370","10.1016/j.cemconres.2005.08.004","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013999","8.323","","8.251","","5.861","","90","","90","","90","","402.493","","","","","","","","","","","","Block 14 open cut, Broken Hill, New South Wales, Australia","6","P n n m","-P 2 2n","58","","","Zincolibethenite","- As0.02 Cu0.94 H O5 P0.98 Zn1.06 -","- As0.02 Cu0.94 H O5 P0.98 Zn1.06 -","- As0.08 Cu3.76 H4 O20 P3.92 Zn4.24 -","4","0.5","","Williams, P. A.; Leverett, P.; Birch, W. D.; Hibbs, D. E.; Kilitsch, U.; Mihajlovic, T.","Zinc-rich zincolibethenite from Broken Hill, New South Wales Note: z-coordinate of O3 altered by communication with authors, April 2010","Australian Journal of Mineralogy","2006","12","","3","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014002","10.299","","10.299","","7.308","","90","","90","","120","","671.304","","","","","","","","","","","","Mibladen, Morocco","4","P 63/m","-P 6c","176","","","Vanadinite","- Cl O12 Pb5 V3 -","- Cl O12 Pb5 V3 -","- Cl2 O24 Pb10 V6 -","2","0.166667","","Laufek, F.; Skala, R.; Haloda, J.; Cisarova, I.","Crystal structure of vanadinite: refinement of anisotropic displacement parameters Locality: Mibladen, Morocco","Journal of the Czech Geological Society","2006","51","","271","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014004","4.89","","4.89","","3.88","","90","","90","","120","","80.349","","","","","","","","","","","","hypothetical structure","1","P 6/m m m","-P 6 2","191","","","Carbon","- C -","- C -","- C10 -","10","0.416667","","Bucknum, M. J.; Castro, E. A.","The carbon allotrope hexagonite and its potential synthesis from cold compression of carbon nanotubes","Journal of Chemical Theory and Computation","2006","2","","775","781","10.1021/ct060003n","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014184","4.7511","","4.7511","","9.2648","","90","","90","","90","","209.134","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe Nb0.13 O6 Ta1.87 -","- Fe Nb0.13 O6 Ta1.87 -","- Fe2 Nb0.26 O12 Ta3.74 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q2, treated at 700 C for 120 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014252","4.546","","13.0012","","5.342","","90","","94.329","","90","","314.83","","","","","","","","","","","","Jachymov, Erzgebirge, Czech Republic","2","P 1 21/n 1","-P 2yn","14","","","Claudetite","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Origlieri, M. J.; Downs, R. T.; Carducci, M. D.; Rosso, K. M.; Gibbs, G. V.","Crystal structure and bonding in the new mineral AsSbO3","General Meeting of the International Mineralogical Association","2006","19","","142","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014309","4.7531","","4.7531","","9.2873","","90","","90","","90","","209.818","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe1.001 Nb0.13 O6 Ta1.869 -","- Fe1.001 Nb0.13 O6 Ta1.869 -","- Fe2.002 Nb0.26 O12 Ta3.738 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q0, untreated","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014365","4.7571","","4.7571","","9.2189","","90","","90","","90","","208.624","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe1.001 Nb0.13 O6 Ta1.869 -","- Fe1.001 Nb0.13 O6 Ta1.869 -","- Fe2.002 Nb0.26 O12 Ta3.738 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim23_q2, treated at 750 C for 190 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014378","4.695","","11.906","","20.38","","90","","90","","90","","1139.21","","","","","","","","","","","","Voroni Tundry deposit, Kola Peninsula, Russia","8","P n m a","-P 2ac 2n","62","","","Holtite","- Al6.24 As0.13 B H0.52 O17.499 Sb0.343 Si2.499 Ta0.248 -","- Al6.24 As0.13 B H0.52 O17.499 Sb0.343 Si2.499 Ta0.248 -","- Al24.96 As0.52 B4 H2.08 O69.996 Sb1.372 Si9.996 Ta0.992 -","4","0.5","","Kazantsev, S. S.; Zubkova, N. V.; Voloshin, A. V.","Refinement of composition and structure of holtite I","Crystallography Reports","2006","51","","412","413","10.1134/S1063774506030084","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014513","4.7504","","4.7504","","9.2549","","90","","90","","90","","208.849","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe Nb0.13 O6 Ta1.87 -","- Fe Nb0.13 O6 Ta1.87 -","- Fe2 Nb0.26 O12 Ta3.74 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q3, treated at 750 C for 180 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014521","4.7562","","4.7562","","9.291","","90","","90","","90","","210.176","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe Nb0.13 O6 Ta1.87 -","- Fe Nb0.13 O6 Ta1.87 -","- Fe2 Nb0.26 O12 Ta3.74 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q0, untreated","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014610","4.6893","","11.881","","20.394","","90","","90","","90","","1136.22","","","","","","","","","","","","Kola Peninsula, Russia","7","P n m a","-P 2ac 2n","62","","","Holtite","- Al6.12 As0.1 B O16.86 Sb1.14 Si1.3 Ta0.3 -","- Al6.12 As0.1 B O16.86 Sb1.14 Si1.3 Ta0.3 -","- Al24.48 As0.4 B4 O67.44 Sb4.56 Si5.2 Ta1.2 -","4","0.5","","Zubkova, N. V.; Pushcharovskii, D. Y.; Kabalov, Y. K.; Kazantsev, S. S.; Voloshin, A. V.","Crystal structure of holtite II","Crystallography Reports","2006","51","","16","22","10.1134/S1063774506010044","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014639","10.571","","10.571","","10.571","","90","","90","","90","","1181.27","","","","","","","","","","","","the Ploskaya Mountain, Keivy Massif, Kola Peninsula, Russia","13","F d -3 m :2","-F 4vw 2vw 3","227","","","Plumbomicroclite","- Al0.02 Ca0.3 Fe0.1 H0.25 Na0.08 Nb0.62 O6.48 Pb1.3 Si0.24 Sn0.14 Ta0.82 Ti0.06 U0.04 -","- Al0.02 Ca0.3 Fe0.1 Na0.08 Nb0.62 O6.48 Pb1.3 Si0.24 Sn0.14 Ta0.82 Ti0.06 U0.04 -","- Al0.16 Ca2.4 Fe0.8 Na0.64 Nb4.96 O51.84 Pb10.4 Si1.92 Sn1.12 Ta6.56 Ti0.48 U0.32 -","8","0.0416667","","Bindi, L.; Zoppi, M.; Bonazzi, P.","Plumbomicrolite from the Ploskaya Mountain, Keivy Massif, Kola Peninsula, Russia: composition and crystal structure","Periodico di Mineralogia","2006","76","","51","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9014732","4.7533","","4.7533","","9.2773","","90","","90","","90","","209.61","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe Nb0.13 O6 Ta1.87 -","- Fe Nb0.13 O6 Ta1.87 -","- Fe2 Nb0.26 O12 Ta3.74 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim5_q0, untreated","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014797","9.05294","","9.05294","","9.05294","","90","","90","","90","","741.94","","","","","","","","","","","","Synthetic","3","I m -3","-I 2 2 3","204","","","Kieftite","- Co4 In0.2 Sb12 -","- Co4 In0.2 Sb12 -","- Co8 In0.4 Sb24 -","2","0.0416667","","He, T.; Chen, J.; Rosenfeld, H. D.; Subramanian, M. A.","Thermoelectric properties of indium-filled skutterudites","Chemistry of Materials","2006","18","","759","762","10.1021/cm052055b","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014823","12.8976","","9.3705","","3.1623","","90","","110.262","","90","","358.536","","","","","","","","","","","","Ojuela mine, Durango, Mexico","5","P 1 21/a 1","-P 2yab","14","","","Rosasite","- C H2 Cu1.2 O5 Zn0.8 -","- C H2 Cu1.2 O5 Zn0.8 -","- C4 H8 Cu4.8 O20 Zn3.2 -","4","1","","Perchiazzi, N.","Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite","Zeitschrift fur Kristallographie Supplement","2006","23","","505","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014869","4.7506","","4.7506","","9.2811","","90","","90","","90","","209.458","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe0.999 Nb0.13 O6 Ta1.871 -","- Fe0.999 Nb0.13 O6 Ta1.871 -","- Fe1.998 Nb0.26 O12 Ta3.742 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q5, treated at 600 C for 650 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014933","7.8498","","7.8498","","5.7452","","90","","90","","90","","354.016","","","","","","","","","","","","","3","P 42/m","-P 4c","84","","","Schafarzikite","- Fe O4 Sb2 -","- Fe O4 Sb2 -","- Fe4 O16 Sb8 -","4","0.5","","Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M.","Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 10.5 GPa, this is denoted as Phase III","Journal of Physics: Condensed Matter","2006","18","","S1021","S1037","10.1088/0953-8984/18/25/S09","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014998","12.9181","","9.3923","","3.1622","","90","","111.233","","90","","357.626","","","","","","","","","","","","Red Mountain, California, USA","5","P 1 21/a 1","-P 2yab","14","","","Mcguinnessite","- C H2 Cu0.94 Mg1.06 O5 -","- C H2 Cu0.94 Mg1.06 O5 -","- C4 H8 Cu3.76 Mg4.24 O20 -","4","1","","Perchiazzi, N.","Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite","Zeitschrift fur Kristallographie Supplement","2006","23","","505","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015084","11.229","","11.229","","21.478","","90","","90","","120","","2345.34","","","","","","","","","","","","Synthetic","5","P 3 1 c","P 3 -2c","159","","","Ettringite","- Al2 Ca6 H64 O50 S3 -","- Al2 Ca6 H64 O50 S3 -","- Al4 Ca12 H128 O100 S6 -","2","0.333333","","Goetz-Neunhoeffer F; Neubauer, J.","Refined ettringite (Ca6Al2(SO4)3(OH)12*26H2O) structure for quantitative X-ray diffraction analysis","Powder Diffraction","2006","21","","4","11","10.1154/1.2146207","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9015142","23.14422","","23.14422","","7.22333","","90","","90","","120","","3350.84","","","","","","","","","","","","Synthetic","5","R 3 c :H","R 3 -2""c","161","","","Chlorartinite","- C H7 Cl Mg2 O7 -","- C H7 Cl Mg2 O7 -","- C18 H126 Cl18 Mg36 O126 -","18","1","","Sugimoto, K.; Dinnebier, R. E.; Schlecht, T.","Chlorartinite, a volcanic exhalation product also found in industrial magnesia screed Note: this is the hydrated chlorartinite","Journal of Applied Crystallography","2006","39","","739","744","10.1107/S0021889806032109","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015155","4.7516","","4.7516","","9.2856","","90","","90","","90","","209.648","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe1.001 Nb0.13 O6 Ta1.871 -","- Fe1.001 Nb0.13 O6 Ta1.871 -","- Fe2.002 Nb0.26 O12 Ta3.742 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q2, treated at 600 C for 20 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015162","4.7561","","4.7561","","9.203","","90","","90","","90","","208.176","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe0.999 Nb0.13 O6 Ta1.871 -","- Fe0.999 Nb0.13 O6 Ta1.871 -","- Fe1.998 Nb0.26 O12 Ta3.742 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q3, treated at 700 C for 450 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015344","8.5758","","8.5758","","5.8983","","90","","90","","90","","433.787","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","Schafarzikite","- Fe O4 Sb2 -","- Fe O4 Sb2 -","- Fe4 O16 Sb8 -","4","0.25","","Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M.","Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 0.5 GPa","Journal of Physics: Condensed Matter","2006","18","","S1021","S1037","10.1088/0953-8984/18/25/S09","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015407","4.7531","","4.7531","","9.2219","","90","","90","","90","","208.341","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe1.001 Nb0.13 O6 Ta1.871 -","- Fe1.001 Nb0.13 O6 Ta1.871 -","- Fe2.002 Nb0.26 O12 Ta3.742 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q2, treated at 750 C for 80 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015432","4.5757","","13.1288","","5.4216","","90","","95.039","","90","","324.435","","","","","","","","","","","","Tsumeb, Namibia","3","P 1 21/n 1","-P 2yn","14","","","Stibioclaudetite","- As O3 Sb -","- As O3 Sb -","- As4 O12 Sb4 -","4","1","","Origlieri, M. J.; Downs, R. T.; Carducci, M. D.; Rosso, K. M.; Gibbs, G. V.","Crystal structure and bonding in the new mineral AsSbO3","General Meeting of the International Mineralogical Association","2006","19","","142","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015482","4.7499","","4.7499","","9.2716","","90","","90","","90","","209.182","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe Nb0.13 O6 Ta1.87 -","- Fe Nb0.13 O6 Ta1.87 -","- Fe2 Nb0.26 O12 Ta3.74 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q1, treated at 700 C for 30 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015532","4.7551","","4.7551","","9.2818","","90","","90","","90","","209.871","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe Nb0.13 O6 Ta1.87 -","- Fe Nb0.13 O6 Ta1.87 -","- Fe2 Nb0.26 O12 Ta3.74 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim23_q0, untreated","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015602","4.7509","","4.7509","","9.2812","","90","","90","","90","","209.486","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe Nb0.13 O6 Ta1.87 -","- Fe Nb0.13 O6 Ta1.87 -","- Fe2 Nb0.26 O12 Ta3.74 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q4, treated at 600 C for 200 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015605","4.7533","","4.7533","","9.2876","","90","","90","","90","","209.843","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe Nb0.13 O6 Ta1.87 -","- Fe Nb0.13 O6 Ta1.87 -","- Fe2 Nb0.26 O12 Ta3.74 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim1_q0, untreated","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015614","4.7497","","4.7497","","9.253","","90","","90","","90","","208.744","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe0.999 Nb0.13 O6 Ta1.871 -","- Fe0.999 Nb0.13 O6 Ta1.871 -","- Fe1.998 Nb0.26 O12 Ta3.742 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q2, treated at 750 C for 120 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015702","3.901","","3.901","","3.901","","90","","90","","90","","59.365","","","","","","","","","","","","La Fossa Crater, Vulcano, Italy","2","P m -3 m","-P 4 2 3","221","","","Lafossaite","- Cl Tl -","- Cl Tl -","- Cl Tl -","1","0.0208333","","Roberts, A. C.; Venance, K. E.; Seward, T. M.; Grice, J. D.; Paar, W. H.","Lafossaite, a new mineral from the La Fossa Crater, Vulcano, Italy","The Mineralogical Record","2006","37","","165","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015795","4.7516","","4.7516","","9.2258","","90","","90","","90","","208.297","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe0.999 Nb0.13 O6 Ta1.871 -","- Fe0.999 Nb0.13 O6 Ta1.871 -","- Fe1.998 Nb0.26 O12 Ta3.742 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q1, treated at 750 C for 40 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015839","4.7526","","4.7526","","9.2501","","90","","90","","90","","208.934","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe Nb0.13 O6 Ta1.87 -","- Fe Nb0.13 O6 Ta1.87 -","- Fe2 Nb0.26 O12 Ta3.74 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim14_q1, treated at 600 C for 20 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015985","4.7509","","4.7509","","9.2811","","90","","90","","90","","209.484","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe1.001 Nb0.13 O6 Ta1.869 -","- Fe1.001 Nb0.13 O6 Ta1.869 -","- Fe2.002 Nb0.26 O12 Ta3.738 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q3, treated at 600 C for 50 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016010","5.3867","","14.001","","5.601","","90","","98.535","","90","","417.745","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","Lindgrenite","- Cu3 H2 Mo2 O10 -","- Cu3 H2 Mo2 O10 -","- Cu6 H4 Mo4 O20 -","2","0.5","","Bao, R. L.; Kong, Z. P.; Cu, M.; Yue, B.; Weng, L. H.; He, H. Y.","Hydrothermal synthesis and thermal stability of natural mineral lindgrenite Note: atomic coordinates transformed to standard setting","Chemical Research in Chinese Universities","2006","22","","679","683","10.1016/S1005-9040(06)60189-X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016077","4.7554","","4.7554","","9.2281","","90","","90","","90","","208.683","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe0.999 Nb0.13 O6 Ta1.871 -","- Fe0.999 Nb0.13 O6 Ta1.871 -","- Fe1.998 Nb0.26 O12 Ta3.742 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim5_q1, treated at 750 C for 30 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016119","4.7551","","4.7551","","9.281","","90","","90","","90","","209.852","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe Nb0.13 O6 Ta1.87 -","- Fe Nb0.13 O6 Ta1.87 -","- Fe2 Nb0.26 O12 Ta3.74 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim14_q0, untreated","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016143","4.7507","","4.7507","","9.2794","","90","","90","","90","","209.428","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe Nb0.13 O6 Ta1.87 -","- Fe Nb0.13 O6 Ta1.87 -","- Fe2 Nb0.26 O12 Ta3.74 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q6, treated at 650 C for 15 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016293","4.7547","","4.7547","","9.2893","","90","","90","","90","","210.005","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe0.999 Nb0.13 O6 Ta1.871 -","- Fe0.999 Nb0.13 O6 Ta1.871 -","- Fe1.998 Nb0.26 O12 Ta3.742 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q1, treated at 600 C for 5 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016301","5.7792","","8.3134","","8.4545","","90","","91.879","","90","","405.976","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","Schafarzikite","- Fe O4 Sb2 -","- Fe O4 Sb2 -","- Fe4 O16 Sb8 -","4","1","","Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M.","Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 4.2 GPa, this is denoted as Phase II","Journal of Physics: Condensed Matter","2006","18","","S1021","S1037","10.1088/0953-8984/18/25/S09","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016378","4.7475","","4.7475","","9.269","","90","","90","","90","","208.912","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe0.999 Nb0.13 O6 Ta1.871 -","- Fe0.999 Nb0.13 O6 Ta1.871 -","- Fe1.998 Nb0.26 O12 Ta3.742 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q1, treated at 700 C for 210 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016422","4.148","","4.148","","4.148","","90","","90","","90","","71.37","","","","","","","","","","","","north Chile iron meteorite","2","F m -3 m","-F 4 2 3","225","","","Carlsbergite","- Cr N -","- Cr N -","- Cr4 N4 -","4","0.0208333","","Nolze, G.; Wagner, G.; Saliwan Neumann, R.; Skála R; Geist, V.","Orientation relationships of carlsbergite in schreibersite and kamacite in the north Chile iron meteorite","Mineralogical Magazine","2006","70","","373","382","10.1180/0026461067040342","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016466","4.7561","","4.7561","","9.2748","","90","","90","","90","","209.8","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe Nb0.13 O6 Ta1.87 -","- Fe Nb0.13 O6 Ta1.87 -","- Fe2 Nb0.26 O12 Ta3.74 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q0, untreated","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016631","4.7538","","4.7538","","9.2193","","90","","90","","90","","208.343","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe Nb0.13 O6 Ta1.87 -","- Fe Nb0.13 O6 Ta1.87 -","- Fe2 Nb0.26 O12 Ta3.74 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim23_q1, treated at 750 C for 130 min","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9016649","4.7561","","4.7561","","9.288","","90","","90","","90","","210.099","","","","","","","","","","","","Kimito, Finland","4","P 42/m n m","-P 4n 2n","136","","","Tapiolite-(Fe)","- Fe Nb0.13 O6 Ta1.87 -","- Fe Nb0.13 O6 Ta1.87 -","- Fe2 Nb0.26 O12 Ta3.74 -","2","0.125","","Zema, M.; Tarantino, S. C.; Giorgiani, A.","Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q0, untreated","Mineralogical Magazine","2006","70","","319","328","10.1180/0026461067030335","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9017421","13.773","","7.288","","11.556","","90","","90","","90","","1159.96","","","","","","","","","","","","Synthetic","5","P n a 21","P 2c -2n","33","","","Geschieberite","- H4 K2 O12 S2 U -","- H4 K2 O12 S2 U -","- H16 K8 O48 S8 U4 -","4","1","","Alekseev, E. V.; Suleimanov, E. V.; Chuprunov, E. V.; Marychev, M. O.; Ivanov, V. A.; Fukin, G. K.","Crystal structure and nonlinear optical properties of the K2UO2(SO4)2*2H2O compound at 293 K","Crystallography Reports","2006","51","","29","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""